A0A077ZEK1_TRITR Loading...

Hypoxia up-regulated protein 1

AlphaFold DB , UniProt , Accession A0A077ZEK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 891 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M96.2Very high97.2Very high11 Ų1115.7 Ų15.75%0.0548%0.083CC..  0168.5059179-174.800110.6V3 I12 G13 L14 R124 A127 V135 D137 A138 V139 V163M1-V3 HydrophobicContact CE-CG2 4.19Å; M1-V3 HydrophobicContact SD-CG2 4.32Å; M1-I12 HydrophobicContact CB-CG2 4.21Å; M1-G13 CarbonylContact C-O 3.47Å; M1-G13 WeakPolarHBondContact CA-O 2.8Å; M1-G13 WeakPolarHBondContact CB-O 3.16Å; M1-L14 HydrophobicContact CB-CD1 4.28Å; M1-R124 HydrophobicContact CE-CB 3.74Å; M1-R124 HydrophobicContact CE-CG 4.21Å; M1-R124 HydrophobicContact SD-CB 4.35Å; M1-A127 HydrophobicContact CB-CB 4.33Å; M1-A127 HydrophobicContact SD-CB 3.64Å; M1-V135 HydrophobicContact CB-CG1 3.78Å; M1-V135 HydrophobicContact CG-CG1 3.82Å; M1-V135 HydrophobicContact SD-CG1 4.29Å; M1-D137 WeakPolarHBondContact CG-O 3.26Å; M1-D137 PolarHBondContact N-O 3.06Å; M1-A138 HydrophobicContact CE-CB 3.75Å; M1-A138 HydrophobicContact CG-CB 4.12Å; M1-A138 WeakPolarHBondContact O-CA 3.24Å; M1-V139 PolarHBondContact O-N 2.68Å; M1-V139 VanDerWaalsContact O-N 3.16Å; M1-V163 HydrophobicContact CE-CG1 3.96Å
2S98.2Very high97.3Very high0 Ų014.8 Ų14.80%08%0.078CC..EExtended strand (participates in β ladder)trans-119.8150.4159.762.50000109.4I12 G13 V139 A368 I372S2-I12 CarbonylContact O-C 3.57Å; S2-I12 VanDerWaalsContact O-CA 3.27Å; S2-I12 WeakPolarHBondContact O-CA 3.24Å; S2-G13 PolarHBondContact N-O 3.16Å; S2-G13 PolarHBondContact O-N 2.94Å; S2-G13 VanDerWaalsContact OG-CA 3.27Å; S2-G13 WeakPolarHBondContact OG-CA 3.16Å; S2-G13 PolarHBondContact OG-N 3.38Å; S2-V139 CarbonylContact C-O 3.51Å; S2-V139 WeakPolarHBondContact CA-O 3.48Å; S2-A368 PolarHBondContact OG-O 3.2Å; S2-I372 WeakPolarHBondContact OG-CB 3.09Å; S2-I372 PolarHBondContact OG-N 3.45Å
3V98.4Very high97.3Very high0 Ų013.6 Ų13.60%07%0.072CC..EExtended strand (participates in β ladder)trans-122.3111.4174.1-176.30000107.8M1 L5 F10 K11 A123 V139 I140 S141M1-V3 HydrophobicContact CE-CG2 4.19Å; M1-V3 HydrophobicContact SD-CG2 4.32Å; V3-L5 HydrophobicContact CG1-CB 4.27Å; V3-L5 HydrophobicContact CG1-CD1 4.4Å; V3-L5 PolarHBondContact O-N 3.28Å; V3-F10 HydrophobicContact CG1-CB 4.48Å; V3-K11 CarbonylContact C-O 3.53Å; V3-K11 WeakPolarHBondContact CA-O 3.45Å; V3-A123 HydrophobicContact CG1-CB 4.22Å; V3-A123 HydrophobicContact CG2-CB 4.02Å; V3-V139 PolarHBondContact N-O 3.35Å; V3-I140 HydrophobicContact CB-CG1 4.43Å; V3-I140 WeakPolarHBondContact O-CA 3.4Å; V3-S141 PolarHBondContact O-N 3.46Å
4D98.1Very high97.2Very high10 Ų1012.9 Ų12.95%0.0537%0.068CC..EExtended strand (participates in β ladder)trans-76.296.5163.9174.631.7000108.4G6 F10 K11 S141 I367 A368D4-G6 VanDerWaalsContact C-N 3.33Å; D4-G6 PolarHBondContact O-N 2.66Å; D4-G6 VanDerWaalsContact O-N 3.13Å; D4-F10 CarbonylContact O-C 3.58Å; D4-F10 WeakPolarHBondContact O-CA 3.36Å; D4-F10 VanDerWaalsContact O-CB 3.3Å; D4-F10 WeakPolarHBondContact O-CB 3.3Å; D4-K11 HydrophobicContact CB-CB 4.33Å; D4-K11 HydrophobicContact CB-CD 4.37Å; D4-K11 PolarHBondContact N-O 2.73Å; D4-K11 PolarHBondContact O-N 2.89Å; D4-K11 VanDerWaalsContact O-N 3.1Å; D4-K11 WeakPolarHBondContact OD2-CD 3.33Å; D4-K11 IonicContact OD2-NZ 3.12Å; D4-S141 WeakPolarHBondContact CA-OG 3.37Å; D4-S141 PolarHBondContact OD1-OG 3.24Å; D4-I367 HydrophobicContact CB-CB 4.31Å; D4-I367 HydrophobicContact CB-CG2 3.94Å; D4-I367 VanDerWaalsContact OD1-CG2 3.22Å; D4-I367 WeakPolarHBondContact OD1-CG2 3.33Å; D4-A368 HydrophobicContact CB-CB 3.96Å
5L97.1Very high96.9Very high6 Ų613.6 Ų13.63%0.0317%0.071CC..EExtended strand (participates in β ladder)trans-9069.2-173.6-168.966.2000111V3 F10 T35 V66 L116 I119 I120 I140 S141 M154V3-L5 HydrophobicContact CG1-CB 4.27Å; V3-L5 HydrophobicContact CG1-CD1 4.4Å; V3-L5 PolarHBondContact O-N 3.28Å; L5-F10 HydrophobicContact CD1-CB 4.16Å; L5-T35 HydrophobicContact CD1-CG2 4.36Å; L5-V66 HydrophobicContact CD2-CG2 4.5Å; L5-V66 HydrophobicContact CG-CG2 4.38Å; L5-L116 HydrophobicContact CD2-CD2 4.45Å; L5-I119 HydrophobicContact CD1-CG2 3.93Å; L5-I120 HydrophobicContact CD2-CD1 4.49Å; L5-I120 HydrophobicContact CD2-CG1 4.4Å; L5-I140 HydrophobicContact CB-CG2 4.11Å; L5-I140 HydrophobicContact CD2-CG2 4.36Å; L5-S141 PolarHBondContact N-OG 2.89Å; L5-M154 HydrophobicContact CD2-CE 3.55Å; L5-M154 HydrophobicContact CD2-SD 3.88Å
6G95.5Very high96.3Very high21 Ų2115.7 Ų15.722%0.2168%0.08CC..  trans-69.7154.217600000112.9D4 Q8 Y9 T35D4-G6 VanDerWaalsContact C-N 3.33Å; D4-G6 PolarHBondContact O-N 2.66Å; D4-G6 VanDerWaalsContact O-N 3.13Å; G6-Q8 VanDerWaalsContact C-N 3.28Å; G6-Q8 PolarHBondContact O-N 3.47Å; G6-Y9 CarbonylContact C-O 3.59Å; G6-Y9 VanDerWaalsContact CA-O 3.25Å; G6-Y9 WeakPolarHBondContact CA-O 3.29Å; G6-Y9 PolarHBondContact N-O 2.94Å; G6-T35 WeakPolarHBondContact O-CB 3.27Å; G6-T35 WeakPolarHBondContact O-CG2 3.48Å; G6-T35 PolarHBondContact O-OG1 2.86Å
7S96.3Very high95.4Very high9 Ų920.1 Ų20.16%0.06311%0.109CC..SBendtrans-63.4-29.6-175.5-38.70000114.3S202S7-S202 PolarHBondContact OG-OG 3.26Å
8Q96.6Very high94.7Very high39 Ų3924.2 Ų24.218%0.18216%0.157CC..SBendtrans-109.8-36.1179.9-170.8-177.119.400113G6 L34 T35 F64 A201G6-Q8 VanDerWaalsContact C-N 3.28Å; G6-Q8 PolarHBondContact O-N 3.47Å; Q8-L34 HydrophobicContact CG-CD2 4.34Å; Q8-L34 CarbonylContact O-C 3.57Å; Q8-L34 WeakPolarHBondContact O-CA 3.29Å; Q8-T35 PolarHBondContact O-N 3.09Å; Q8-F64 HydrophobicContact CB-CZ 4.05Å; Q8-F64 HydrophobicContact CG-CZ 4.35Å; Q8-A201 HydrophobicContact CB-CB 3.53Å
9Y97.3Very high94.3Very high53 Ų5326.5 Ų26.521%0.20817%0.171CC..EExtended strand (participates in β ladder)trans-136.4141.4177.8-62.8-89.6000110.2G6 K32 T33 L34 T35G6-Y9 CarbonylContact C-O 3.59Å; G6-Y9 VanDerWaalsContact CA-O 3.25Å; G6-Y9 WeakPolarHBondContact CA-O 3.29Å; G6-Y9 PolarHBondContact N-O 2.94Å; Y9-K32 HydrophobicContact CD1-CB 4.44Å; Y9-K32 HydrophobicContact CD1-CD 4.11Å; Y9-K32 HydrophobicContact CD1-CG 4.01Å; Y9-K32 HydrophobicContact CG-CD 4.21Å; Y9-K32 HydrophobicContact CG-CG 4.48Å; Y9-T33 CarbonylContact C-O 3.38Å; Y9-T33 WeakPolarHBondContact CA-O 3.38Å; Y9-L34 HydrophobicContact CD1-CD2 3.83Å; Y9-L34 HydrophobicContact CD1-CG 4.17Å; Y9-L34 HydrophobicContact CE1-CD2 3.28Å; Y9-L34 HydrophobicContact CE1-CG 3.74Å; Y9-L34 HydrophobicContact CE2-CD2 4.22Å; Y9-L34 HydrophobicContact CG-CD2 4.48Å; Y9-L34 VanDerWaalsContact CZ-CD2 3.49Å; Y9-T35 WeakPolarHBondContact CA-OG1 3.41Å; Y9-T35 PolarHBondContact N-OG1 3.21Å
10F97.9Very high93.9Very high4 Ų429.2 Ų29.22%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-106.8152.816673.9-91.7000111.9V3 D4 L5 I12 K32 T33 T35 I119 A123V3-F10 HydrophobicContact CG1-CB 4.48Å; D4-F10 CarbonylContact O-C 3.58Å; D4-F10 WeakPolarHBondContact O-CA 3.36Å; D4-F10 VanDerWaalsContact O-CB 3.3Å; D4-F10 WeakPolarHBondContact O-CB 3.3Å; L5-F10 HydrophobicContact CD1-CB 4.16Å; F10-I12 HydrophobicContact CD2-CG1 4.19Å; F10-I12 HydrophobicContact CE2-CD1 4Å; F10-I12 HydrophobicContact CE2-CG1 4.15Å; F10-K32 WeakPolarHBondContact O-CA 3.41Å; F10-T33 HydrophobicContact CD1-CG2 4.48Å; F10-T33 WeakPolarHBondContact CD1-O 3.18Å; F10-T33 VanDerWaalsContact CE1-CB 3.47Å; F10-T33 HydrophobicContact CE1-CG2 3.54Å; F10-T33 VanDerWaalsContact CZ-CB 3.42Å; F10-T33 HydrophobicContact CZ-CG2 3.62Å; F10-T33 PolarHBondContact N-O 3.11Å; F10-T33 PolarHBondContact O-N 3.21Å; F10-T35 PolarHBondContact N-OG1 3.26Å; F10-I119 HydrophobicContact CD1-CG2 3.81Å; F10-I119 HydrophobicContact CE1-CG2 3.89Å; F10-I119 HydrophobicContact CG-CG2 4.48Å; F10-A123 HydrophobicContact CD2-CB 3.99Å; F10-A123 HydrophobicContact CE2-CB 3.63Å; F10-A123 HydrophobicContact CZ-CB 4.36Å
11K98Very high93.9Very high20 Ų2030.5 Ų30.59%0.08720%0.199CC..EExtended strand (participates in β ladder)trans-132.6152.5176.2-57.589.6175.2-171.20109.6V3 D4 K32 D364 A368V3-K11 CarbonylContact C-O 3.53Å; V3-K11 WeakPolarHBondContact CA-O 3.45Å; D4-K11 HydrophobicContact CB-CB 4.33Å; D4-K11 HydrophobicContact CB-CD 4.37Å; D4-K11 PolarHBondContact N-O 2.73Å; D4-K11 PolarHBondContact O-N 2.89Å; D4-K11 VanDerWaalsContact O-N 3.1Å; D4-K11 WeakPolarHBondContact OD2-CD 3.33Å; D4-K11 IonicContact OD2-NZ 3.12Å; K11-K32 HydrophobicContact CD-CB 4.27Å; K11-K32 HydrophobicContact CG-CB 3.69Å; K11-D364 VanDerWaalsContact CD-O 3.27Å; K11-D364 WeakPolarHBondContact CD-O 3.46Å; K11-D364 VanDerWaalsContact CE-O 3.25Å; K11-D364 WeakPolarHBondContact CE-O 3.36Å; K11-A368 HydrophobicContact CB-CB 4.22Å
12I98.2Very high93.8Very high4 Ų432.7 Ų32.72%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-120.2119.7-174.7-57.6156.2000109M1 S2 F10 I23 A24 A123 H126 A127M1-I12 HydrophobicContact CB-CG2 4.21Å; S2-I12 CarbonylContact O-C 3.57Å; S2-I12 VanDerWaalsContact O-CA 3.27Å; S2-I12 WeakPolarHBondContact O-CA 3.24Å; F10-I12 HydrophobicContact CD2-CG1 4.19Å; F10-I12 HydrophobicContact CE2-CD1 4Å; F10-I12 HydrophobicContact CE2-CG1 4.15Å; I12-I23 CarbonylContact O-C 3.54Å; I12-I23 VanDerWaalsContact O-CA 3.3Å; I12-I23 WeakPolarHBondContact O-CA 3.42Å; I12-A24 HydrophobicContact CB-CB 4.09Å; I12-A24 HydrophobicContact CG2-CB 3.95Å; I12-A24 PolarHBondContact O-N 3.26Å; I12-A123 HydrophobicContact CD1-CB 4.13Å; I12-A123 VanDerWaalsContact CD1-O 3.24Å; I12-A123 WeakPolarHBondContact CD1-O 3.34Å; I12-A123 HydrophobicContact CG1-CB 4.08Å; I12-H126 HydrophobicContact CD1-CB 3.56Å; I12-A127 HydrophobicContact CG2-CB 3.94Å
13G97.7Very high93.8Very high0 Ų032.8 Ų32.80%021%0.21CC..EExtended strand (participates in β ladder)trans-89140.3165.400000110.6M1 S2M1-G13 CarbonylContact C-O 3.47Å; M1-G13 WeakPolarHBondContact CA-O 2.8Å; M1-G13 WeakPolarHBondContact CB-O 3.16Å; S2-G13 PolarHBondContact N-O 3.16Å; S2-G13 PolarHBondContact O-N 2.94Å; S2-G13 VanDerWaalsContact OG-CA 3.27Å; S2-G13 WeakPolarHBondContact OG-CA 3.16Å; S2-G13 PolarHBondContact OG-N 3.38Å
14L96Very high93.7Very high3 Ų332.9 Ų32.92%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-139.7146.3-178.3-173.771000111M1 K16 Q22 A24 A127 F130 A131 V135M1-L14 HydrophobicContact CB-CD1 4.28Å; L14-K16 HydrophobicContact CD2-CD 4.5Å; L14-K16 HydrophobicContact CD2-CG 3.8Å; L14-K16 HydrophobicContact CG-CG 4.33Å; L14-Q22 PolarHBondContact N-O 2.96Å; L14-Q22 PolarHBondContact O-N 3.5Å; L14-A24 HydrophobicContact CB-CB 4.27Å; L14-A24 HydrophobicContact CD2-CB 4.49Å; L14-A127 HydrophobicContact CD1-CB 4.46Å; L14-F130 HydrophobicContact CD2-CD1 3.75Å; L14-F130 HydrophobicContact CD2-CE1 4.44Å; L14-A131 HydrophobicContact CD2-CB 3.85Å; L14-V135 HydrophobicContact CD1-CG1 4.06Å; L14-V135 HydrophobicContact CD1-CG2 4.06Å
15I92.8Very high93.5Very high24 Ų2434.9 Ų34.912%0.12322%0.221CC..  trans-119.3118.2164.8-61.2166000106.8M21 I372 A376 Y382I15-M21 HydrophobicContact CD1-CG 3.59Å; I15-M21 HydrophobicContact CD1-SD 4.4Å; I15-M21 HydrophobicContact CG1-CB 4.23Å; I15-M21 HydrophobicContact CG1-CG 3.42Å; I15-M21 VanDerWaalsContact CG1-CG 3.42Å; I15-I372 HydrophobicContact CD1-CD1 4.16Å; I15-I372 HydrophobicContact CD1-CG1 3.8Å; I15-I372 HydrophobicContact CG1-CD1 4.05Å; I15-I372 HydrophobicContact CG1-CG1 3.64Å; I15-A376 HydrophobicContact CD1-CB 3.5Å; I15-Y382 HydrophobicContact CB-CE1 4.08Å; I15-Y382 HydrophobicContact CD1-CD1 4.49Å; I15-Y382 HydrophobicContact CG2-CD1 4.06Å; I15-Y382 HydrophobicContact CG2-CE1 3.47Å; I15-Y382 VanDerWaalsContact CG2-CE1 3.47Å
16K87.1Confident93.3Very high47 Ų4735.3 Ų35.320%0.20422%0.224CC..  trans-92.2154.5170.9-55.3-177.7-174.6-175.20109.3L14 G18 V19 F130L14-K16 HydrophobicContact CD2-CD 4.5Å; L14-K16 HydrophobicContact CD2-CG 3.8Å; L14-K16 HydrophobicContact CG-CG 4.33Å; K16-G18 PolarHBondContact O-N 3.5Å; K16-V19 HydrophobicContact CB-CB 4.08Å; K16-V19 HydrophobicContact CB-CG2 4.12Å; K16-V19 PolarHBondContact O-N 3.43Å; K16-V19 VanDerWaalsContact O-N 3.15Å; K16-F130 VanDerWaalsContact CE-CD1 3.46Å; K16-F130 VanDerWaalsContact CE-CE1 3.48Å; K16-F130 WeakPolarHBondContact CE-O 3.42Å; K16-F130 PolarHBondContact NZ-O 3.25Å
17P80.7Confident93Very high90 Ų9038.7 Ų38.758%0.58423%0.232SC*.THydrogen-bonded Turntrans-51.9131.1169-24.934.9000110.8V19P17-V19 PolarHBondContact O-N 3.03Å; P17-V19 VanDerWaalsContact O-N 3.14Å
18G82.9Confident92.6Very high94 Ų9442.2 Ų42.297%0.96925%0.25SS*.THydrogen-bonded Turntrans73.8-7.3179.400000116.5K16K16-G18 PolarHBondContact O-N 3.5Å
19V86.5Confident92.5Very high69 Ų6944.7 Ų44.742%0.41827%0.272SS..SBendtrans-114.3142.1-176.9-171.10000110.7K16 P17K16-V19 HydrophobicContact CB-CB 4.08Å; K16-V19 HydrophobicContact CB-CG2 4.12Å; K16-V19 PolarHBondContact O-N 3.43Å; K16-V19 VanDerWaalsContact O-N 3.15Å; P17-V19 PolarHBondContact O-N 3.03Å; P17-V19 VanDerWaalsContact O-N 3.14Å
20A87.2Confident92.3Very high80 Ų8044.8 Ų44.866%0.66128%0.279SS*.  trans-59.9164.9173.400000112.3Q22A20-Q22 PolarHBondContact O-N 3.35Å
21M92.7Very high92.3Very high56 Ų5649.9 Ų49.928%0.27630%0.298SS..  trans-55.1132.1171.7-68.2166.5-72.100110.1I15 M369 I372 Y373I15-M21 HydrophobicContact CD1-CG 3.59Å; I15-M21 HydrophobicContact CD1-SD 4.4Å; I15-M21 HydrophobicContact CG1-CB 4.23Å; I15-M21 HydrophobicContact CG1-CG 3.42Å; I15-M21 VanDerWaalsContact CG1-CG 3.42Å; M21-M369 HydrophobicContact CB-CE 3.64Å; M21-M369 WeakPolarHBondContact O-CE 3.49Å; M21-I372 HydrophobicContact CB-CG2 4.12Å; M21-I372 HydrophobicContact CG-CG1 4.31Å; M21-I372 HydrophobicContact CG-CG2 4.02Å; M21-I372 HydrophobicContact SD-CG2 4.04Å; M21-Y373 HydrophobicContact CE-CD2 3.9Å; M21-Y373 HydrophobicContact CE-CE2 4.48Å; M21-Y373 HydrophobicContact SD-CD2 3.88Å; M21-Y373 HydrophobicContact SD-CG 4.48Å
22Q95Very high92.2Very high57 Ų5752.3 Ų52.327%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-147.9164.1178.761.9-175.4-10.800111.5L14 A20 F130L14-Q22 PolarHBondContact N-O 2.96Å; L14-Q22 PolarHBondContact O-N 3.5Å; A20-Q22 PolarHBondContact O-N 3.35Å; Q22-F130 HydrophobicContact CG-CE1 4.28Å
23I97.1Very high92.1Very high2 Ų252.6 Ų52.61%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-80.9130.1169.8-60.3-60.5000109.1I12 R31 E365 A368 M369I12-I23 CarbonylContact O-C 3.54Å; I12-I23 VanDerWaalsContact O-CA 3.3Å; I12-I23 WeakPolarHBondContact O-CA 3.42Å; I23-R31 HydrophobicContact CG2-CB 4.06Å; I23-E365 HydrophobicContact CD1-CB 4.12Å; I23-E365 HydrophobicContact CD1-CG 4.3Å; I23-E365 HydrophobicContact CG1-CB 4.1Å; I23-E365 HydrophobicContact CG1-CG 3.88Å; I23-A368 HydrophobicContact CD1-CB 3.79Å; I23-M369 HydrophobicContact CD1-CG 3.86Å; I23-M369 HydrophobicContact CD1-SD 3.8Å; I23-M369 HydrophobicContact CG1-CG 4.39Å; I23-M369 HydrophobicContact CG1-SD 4.18Å
24A96.3Very high92.1Very high3 Ų354 Ų543%0.02532%0.317CS..PPolyproline II helixtrans-78.2137.5172.900000110.5I12 L14 F130I12-A24 HydrophobicContact CB-CB 4.09Å; I12-A24 HydrophobicContact CG2-CB 3.95Å; I12-A24 PolarHBondContact O-N 3.26Å; L14-A24 HydrophobicContact CB-CB 4.27Å; L14-A24 HydrophobicContact CD2-CB 4.49Å; A24-F130 HydrophobicContact CB-CB 4.06Å; A24-F130 HydrophobicContact CB-CD1 3.64Å; A24-F130 HydrophobicContact CB-CE1 4.27Å; A24-F130 HydrophobicContact CB-CG 3.93Å
25L95.6Very high92.2Very high52 Ų5254 Ų5427%0.27232%0.317SS..PPolyproline II helixtrans-81.8148.5174.9-55-179000110.3T30 R31 F130L25-T30 WeakPolarHBondContact CA-O 3.4Å; L25-R31 HydrophobicContact CD2-CB 4.46Å; L25-R31 HydrophobicContact CD2-CG 3.54Å; L25-F130 HydrophobicContact CB-CD2 4.02Å; L25-F130 HydrophobicContact CB-CE2 3.99Å; L25-F130 HydrophobicContact CD1-CE2 4.07Å; L25-F130 HydrophobicContact CG-CD2 4.31Å; L25-F130 HydrophobicContact CG-CE2 3.75Å; L25-F130 HydrophobicContact CG-CZ 4.44Å
26N93.1Very high92.5Very high15 Ų1553 Ų538%0.0831%0.312CS..  trans-80.5-178.516771.66.5000111.2D28 S29 T30 T33N26-D28 PolarHBondContact O-N 3.21Å; N26-D28 PolarHBondContact OD1-N 2.82Å; N26-D28 VanDerWaalsContact OD1-N 3.1Å; N26-S29 PolarHBondContact O-N 2.66Å; N26-S29 PolarHBondContact OD1-N 2.87Å; N26-T30 PolarHBondContact N-O 3.42Å; N26-T30 PolarHBondContact ND2-OG1 3.2Å; N26-T30 PolarHBondContact OD1-N 3.37Å; N26-T30 PolarHBondContact OD1-O 2.88Å; N26-T30 PolarHBondContact OD1-OG1 2.83Å; N26-T33 WeakPolarHBondContact CB-OG1 3.4Å; N26-T33 PolarHBondContact ND2-OG1 3.48Å
27K88.2Confident92.9Very high91 Ų9150.8 Ų50.840%0.39630%0.303SS..THydrogen-bonded Turntrans-60.2-24-178.965.5175.3-173.5174.20114S29 Q49K27-S29 VanDerWaalsContact C-N 3.27Å; K27-Q49 VanDerWaalsContact NZ-CD 3.27Å
28D88.4Confident93.5Very high83 Ų8346.5 Ų46.544%0.44428%0.275SS..THydrogen-bonded Turntrans-95.216.6-179.4-50.2-56.3000110.8N26 T30N26-D28 PolarHBondContact O-N 3.21Å; N26-D28 PolarHBondContact OD1-N 2.82Å; N26-D28 VanDerWaalsContact OD1-N 3.1Å; D28-T30 PolarHBondContact O-N 2.71Å
29S93.3Very high93.9Very high91 Ų9142 Ų4264%0.63623%0.229SC*.SBendtrans6020.9-178.6-620000115.3N26 K27N26-S29 PolarHBondContact O-N 2.66Å; N26-S29 PolarHBondContact OD1-N 2.87Å; K27-S29 VanDerWaalsContact C-N 3.27Å
30T94.8Very high94.1Very high56 Ų5641.9 Ų41.934%0.34422%0.223SC..  trans-98.2153.7178.569.10000112.3L25 N26 D28 K32L25-T30 WeakPolarHBondContact CA-O 3.4Å; N26-T30 PolarHBondContact N-O 3.42Å; N26-T30 PolarHBondContact ND2-OG1 3.2Å; N26-T30 PolarHBondContact OD1-N 3.37Å; N26-T30 PolarHBondContact OD1-O 2.88Å; N26-T30 PolarHBondContact OD1-OG1 2.83Å; D28-T30 PolarHBondContact O-N 2.71Å; T30-K32 PolarHBondContact OG1-O 2.8Å
31R96.4Very high94Very high110 Ų11043.4 Ų43.442%0.41522%0.22SC..SBendtrans-86.5-3.1-174.7-61.4176.87179.9-7.5114.3I23 L25 E365I23-R31 HydrophobicContact CG2-CB 4.06Å; L25-R31 HydrophobicContact CD2-CB 4.46Å; L25-R31 HydrophobicContact CD2-CG 3.54Å; R31-E365 IonicContact CZ-OE1 2.82Å; R31-E365 VanDerWaalsContact CZ-OE1 3.26Å; R31-E365 IonicContact CZ-OE2 2.87Å; R31-E365 IonicContact NE-OE1 3.83Å; R31-E365 PolarHBondContact NE-OE1 2.9Å; R31-E365 IonicContact NE-OE2 3.25Å; R31-E365 IonicContact NH2-OE1 3.81Å; R31-E365 PolarHBondContact NH2-OE1 3.26Å; R31-E365 IonicContact NH2-OE2 2.83Å; R31-E365 PolarHBondContact NH2-OE2 3.23Å
32K96.1Very high93.3Very high71 Ų7147.5 Ų47.531%0.30924%0.236SC..  trans-150.6145.1-179.963.9-174.3172.2-167.60109.9Y9 F10 K11 T30 D364Y9-K32 HydrophobicContact CD1-CB 4.44Å; Y9-K32 HydrophobicContact CD1-CD 4.11Å; Y9-K32 HydrophobicContact CD1-CG 4.01Å; Y9-K32 HydrophobicContact CG-CD 4.21Å; Y9-K32 HydrophobicContact CG-CG 4.48Å; F10-K32 WeakPolarHBondContact O-CA 3.41Å; K11-K32 HydrophobicContact CD-CB 4.27Å; K11-K32 HydrophobicContact CG-CB 3.69Å; T30-K32 PolarHBondContact OG1-O 2.8Å; K32-D364 IonicContact NZ-OD1 3.92Å; K32-D364 IonicContact NZ-OD2 3.1Å; K32-D364 PolarHBondContact NZ-OD2 3.16Å
33T97.3Very high92.7Very high10 Ų1046.1 Ų46.16%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-123.3142.6-178.3-55.80000109.4Y9 F10 N26 T35Y9-T33 CarbonylContact C-O 3.38Å; Y9-T33 WeakPolarHBondContact CA-O 3.38Å; F10-T33 HydrophobicContact CD1-CG2 4.48Å; F10-T33 WeakPolarHBondContact CD1-O 3.18Å; F10-T33 VanDerWaalsContact CE1-CB 3.47Å; F10-T33 HydrophobicContact CE1-CG2 3.54Å; F10-T33 VanDerWaalsContact CZ-CB 3.42Å; F10-T33 HydrophobicContact CZ-CG2 3.62Å; F10-T33 PolarHBondContact N-O 3.11Å; F10-T33 PolarHBondContact O-N 3.21Å; N26-T33 WeakPolarHBondContact CB-OG1 3.4Å; N26-T33 PolarHBondContact ND2-OG1 3.48Å; T33-T35 PolarHBondContact O-N 3.18Å
34L97.5Very high92.3Very high30 Ų3046.3 Ų46.316%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-59.9133.6176.1-72.8167.5000111.2Q8 Y9 I36 D48 A51Q8-L34 HydrophobicContact CG-CD2 4.34Å; Q8-L34 CarbonylContact O-C 3.57Å; Q8-L34 WeakPolarHBondContact O-CA 3.29Å; Y9-L34 HydrophobicContact CD1-CD2 3.83Å; Y9-L34 HydrophobicContact CD1-CG 4.17Å; Y9-L34 HydrophobicContact CE1-CD2 3.28Å; Y9-L34 HydrophobicContact CE1-CG 3.74Å; Y9-L34 HydrophobicContact CE2-CD2 4.22Å; Y9-L34 HydrophobicContact CG-CD2 4.48Å; Y9-L34 VanDerWaalsContact CZ-CD2 3.49Å; L34-I36 HydrophobicContact CB-CG2 3.61Å; L34-I36 PolarHBondContact O-N 3.44Å; L34-D48 WeakPolarHBondContact CD1-OD1 3.46Å; L34-A51 HydrophobicContact CD1-CB 3.69Å
35T98Very high92.1Very high2 Ų247.1 Ų47.11%0.01223%0.234CC..SBendtrans-79.471.7174-53.10000109.1L5 G6 Q8 Y9 F10 T33 I119L5-T35 HydrophobicContact CD1-CG2 4.36Å; G6-T35 WeakPolarHBondContact O-CB 3.27Å; G6-T35 WeakPolarHBondContact O-CG2 3.48Å; G6-T35 PolarHBondContact O-OG1 2.86Å; Q8-T35 PolarHBondContact O-N 3.09Å; Y9-T35 WeakPolarHBondContact CA-OG1 3.41Å; Y9-T35 PolarHBondContact N-OG1 3.21Å; F10-T35 PolarHBondContact N-OG1 3.26Å; T33-T35 PolarHBondContact O-N 3.18Å; T35-I119 HydrophobicContact CG2-CD1 3.75Å; T35-I119 HydrophobicContact CG2-CG2 4.43Å
36I97.7Very high92Very high4 Ų445.1 Ų45.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-146.6141.2-178.2-171174.3000109.6L34 G47 A50 R54 A61 Y62L34-I36 HydrophobicContact CB-CG2 3.61Å; L34-I36 PolarHBondContact O-N 3.44Å; I36-G47 WeakPolarHBondContact CG2-O 3.28Å; I36-A50 HydrophobicContact CB-CB 4.47Å; I36-A50 HydrophobicContact CD1-CB 4.43Å; I36-A50 HydrophobicContact CG1-CB 4.12Å; I36-A50 HydrophobicContact CG2-CB 3.82Å; I36-R54 HydrophobicContact CD1-CB 4.11Å; I36-R54 HydrophobicContact CD1-CG 4.45Å; I36-A61 HydrophobicContact CD1-CB 4.12Å; I36-Y62 WeakPolarHBondContact CA-O 3.19Å; I36-Y62 WeakPolarHBondContact CG1-O 3.41Å
37V95.3Very high92Very high0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-128.7131.8172.157.60000108.4I39 L44 M45 Y46 A61 Y62 L115 M118 I119V37-I39 HydrophobicContact CG2-CG1 4.42Å; V37-L44 HydrophobicContact CG2-CD2 3.42Å; V37-L44 VanDerWaalsContact CG2-CD2 3.42Å; V37-M45 WeakPolarHBondContact CA-O 3.28Å; V37-Y46 HydrophobicContact CB-CD1 4.17Å; V37-Y46 HydrophobicContact CB-CE1 4.12Å; V37-Y46 HydrophobicContact CG2-CD1 4.05Å; V37-Y46 HydrophobicContact CG2-CE1 3.66Å; V37-A61 CarbonylContact O-C 3.22Å; V37-A61 WeakPolarHBondContact O-CA 3.3Å; V37-Y62 HydrophobicContact CG1-CD2 4.22Å; V37-Y62 PolarHBondContact N-O 3.1Å; V37-Y62 VanDerWaalsContact N-O 3.1Å; V37-Y62 WeakPolarHBondContact O-CD2 3.34Å; V37-Y62 PolarHBondContact O-N 3.39Å; V37-L115 HydrophobicContact CG1-CB 4.29Å; V37-L115 HydrophobicContact CG1-CD2 3.9Å; V37-M118 HydrophobicContact CG2-CB 4.36Å; V37-M118 HydrophobicContact CG2-SD 4.09Å; V37-I119 HydrophobicContact CB-CG1 4.38Å
38A95Very high92.3Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-117.1140173.800000110.9L44 M45 A50 Q53 S60 A61A38-L44 WeakPolarHBondContact O-CA 3.18Å; A38-M45 HydrophobicContact CB-CB 4.27Å; A38-M45 PolarHBondContact N-O 3.06Å; A38-M45 PolarHBondContact O-N 3.46Å; A38-A50 HydrophobicContact CB-CB 3.66Å; A38-Q53 HydrophobicContact CB-CB 3.86Å; A38-Q53 HydrophobicContact CB-CG 3.7Å; A38-S60 CarbonylContact C-O 3.54Å; A38-S60 VanDerWaalsContact CA-O 3.23Å; A38-S60 WeakPolarHBondContact CA-O 3.5Å; A38-A61 HydrophobicContact CB-CB 3.66Å
39I91.2Very high92.5Very high1 Ų143.9 Ų43.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-128.4114.2-177.8-44.2-176.8000107.5V37 E43 L44 S60 Y62 E105 Y110 L115 M118 F635V37-I39 HydrophobicContact CG2-CG1 4.42Å; I39-E43 WeakPolarHBondContact CA-O 3.49Å; I39-L44 HydrophobicContact CD1-CD2 3.97Å; I39-L44 HydrophobicContact CG1-CD2 3.61Å; I39-S60 PolarHBondContact N-O 3.49Å; I39-S60 WeakPolarHBondContact O-CB 3.41Å; I39-Y62 HydrophobicContact CB-CE2 4.45Å; I39-Y62 HydrophobicContact CD1-CE2 3.96Å; I39-Y62 HydrophobicContact CG1-CD2 4.46Å; I39-Y62 HydrophobicContact CG1-CE2 3.98Å; I39-E105 HydrophobicContact CG2-CB 4.11Å; I39-E105 HydrophobicContact CG2-CG 4.01Å; I39-Y110 HydrophobicContact CD1-CD1 4.42Å; I39-Y110 HydrophobicContact CD1-CD2 4.14Å; I39-Y110 HydrophobicContact CD1-CE1 3.86Å; I39-Y110 HydrophobicContact CD1-CE2 3.55Å; I39-L115 HydrophobicContact CD1-CD2 4.49Å; I39-M118 HydrophobicContact CD1-CE 4.14Å; I39-M118 HydrophobicContact CD1-SD 4.04Å; I39-F635 HydrophobicContact CG2-CE2 4.19Å
40K89.1Confident92.6Very high66 Ų6639.6 Ų39.629%0.28719%0.189SC..EExtended strand (participates in β ladder)trans-151.4139.7177.4177.7170.3179.3-87.20110.1K42 E43 M45 L57 E105K40-K42 PolarHBondContact O-N 3.48Å; K40-E43 PolarHBondContact N-O 3.33Å; K40-E43 VanDerWaalsContact N-O 3.11Å; K40-E43 WeakPolarHBondContact O-CA 3.4Å; K40-E43 WeakPolarHBondContact O-CB 3.36Å; K40-E43 PolarHBondContact O-N 2.97Å; K40-M45 HydrophobicContact CB-CE 4.16Å; K40-L57 HydrophobicContact CD-CD2 4.14Å; K40-E105 WeakPolarHBondContact CA-OE1 3.45Å
41D85.3Confident92.7Very high112 Ų11237.1 Ų37.160%0.59918%0.175SC*.THydrogen-bonded Turntrans52.939.8176.7-56-37.1000112E43 E105D41-E43 PolarHBondContact O-N 2.88Å; D41-E105 VanDerWaalsContact N-CD 3.28Å; D41-E105 PolarHBondContact N-OE1 2.99Å; D41-E105 PolarHBondContact N-OE2 2.65Å
42K78.8Confident92.6Very high142 Ų14233.6 Ų33.662%0.61717%0.169SC*.THydrogen-bonded Turntrans57.826.2-174-59176.9-175.8174.60114.4K40 E105 F635K40-K42 PolarHBondContact O-N 3.48Å; K42-E105 PolarHBondContact N-OE2 3.46Å; K42-F635 VanDerWaalsContact C-CD1 3.47Å; K42-F635 VanDerWaalsContact CA-CE1 3.43Å; K42-F635 HydrophobicContact CB-CD1 3.79Å; K42-F635 HydrophobicContact CB-CE1 3.41Å; K42-F635 VanDerWaalsContact CB-CE1 3.41Å; K42-F635 HydrophobicContact CB-CZ 4.33Å; K42-F635 HydrophobicContact CG-CE1 3.87Å; K42-F635 WeakPolarHBondContact O-CD1 3.34Å; K42-F635 WeakPolarHBondContact O-CE1 3.28Å; K42-F635 VanDerWaalsContact O-CG 3.28Å; K42-F635 WeakPolarHBondContact O-CG 3.29Å
43E83.2Confident92.6Very high27 Ų2731 Ų3113%0.12616%0.158CC..EExtended strand (participates in β ladder)trans-113.7137.7172.4-160-165.5147.900110.6I39 K40 D41 M45 R642I39-E43 WeakPolarHBondContact CA-O 3.49Å; K40-E43 PolarHBondContact N-O 3.33Å; K40-E43 VanDerWaalsContact N-O 3.11Å; K40-E43 WeakPolarHBondContact O-CA 3.4Å; K40-E43 WeakPolarHBondContact O-CB 3.36Å; K40-E43 PolarHBondContact O-N 2.97Å; D41-E43 PolarHBondContact O-N 2.88Å; E43-M45 HydrophobicContact CB-CE 4.48Å; E43-R642 IonicContact OE1-CZ 3.61Å; E43-R642 IonicContact OE1-NH1 2.83Å; E43-R642 PolarHBondContact OE1-NH1 2.95Å; E43-R642 IonicContact OE1-NH2 2.8Å; E43-R642 PolarHBondContact OE1-NH2 2.62Å; E43-R642 IonicContact OE2-CZ 3.75Å; E43-R642 IonicContact OE2-NH1 3.25Å; E43-R642 PolarHBondContact OE2-NH1 3Å
44L88.2Confident92.6Very high7 Ų731.8 Ų31.84%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-98.9128.5169.4-87163.1000111.1V37 A38 I39 Y46 M118 L632 F635V37-L44 HydrophobicContact CG2-CD2 3.42Å; V37-L44 VanDerWaalsContact CG2-CD2 3.42Å; A38-L44 WeakPolarHBondContact O-CA 3.18Å; I39-L44 HydrophobicContact CD1-CD2 3.97Å; I39-L44 HydrophobicContact CG1-CD2 3.61Å; L44-Y46 HydrophobicContact CB-CE2 4.15Å; L44-M118 HydrophobicContact CD2-SD 3.84Å; L44-L632 HydrophobicContact CD1-CD2 3.02Å; L44-L632 HydrophobicContact CD1-CG 4.22Å; L44-F635 HydrophobicContact CB-CB 4.49Å; L44-F635 HydrophobicContact CD1-CB 4.09Å; L44-F635 HydrophobicContact CD1-CD2 3.54Å; L44-F635 HydrophobicContact CD1-CE2 4.46Å; L44-F635 HydrophobicContact CD1-CG 4.32Å; L44-F635 HydrophobicContact CG-CB 4.39Å; L44-F635 HydrophobicContact CG-CD2 3.72Å; L44-F635 HydrophobicContact CG-CE2 4.47Å; L44-F635 HydrophobicContact CG-CG 4.49Å
45M91.1Very high92.4Very high19 Ų1935.1 Ų35.19%0.09417%0.171CC..EExtended strand (participates in β ladder)trans-119.3147.4174.2-62.6167.4-112.400108.9V37 A38 K40 E43 Q49 A50 Q53V37-M45 WeakPolarHBondContact CA-O 3.28Å; A38-M45 HydrophobicContact CB-CB 4.27Å; A38-M45 PolarHBondContact N-O 3.06Å; A38-M45 PolarHBondContact O-N 3.46Å; K40-M45 HydrophobicContact CB-CE 4.16Å; E43-M45 HydrophobicContact CB-CE 4.48Å; M45-Q49 HydrophobicContact CB-CB 4.03Å; M45-Q49 HydrophobicContact CG-CB 4.35Å; M45-A50 HydrophobicContact CB-CB 4.16Å; M45-A50 WeakPolarHBondContact O-CB 3.38Å; M45-Q53 HydrophobicContact CE-CB 4.39Å; M45-Q53 HydrophobicContact CE-CG 3.97Å; M45-Q53 HydrophobicContact SD-CB 3.9Å; M45-Q53 HydrophobicContact SD-CG 4.15Å
46Y93.3Very high92.3Very high11 Ų1144.2 Ų44.24%0.04321%0.205CC..EExtended strand (participates in β ladder)trans-131.5164.6178.2-60-81.4000109.9V37 L44 D48 Q49 A50 M118 E122V37-Y46 HydrophobicContact CB-CD1 4.17Å; V37-Y46 HydrophobicContact CB-CE1 4.12Å; V37-Y46 HydrophobicContact CG2-CD1 4.05Å; V37-Y46 HydrophobicContact CG2-CE1 3.66Å; L44-Y46 HydrophobicContact CB-CE2 4.15Å; Y46-D48 PolarHBondContact O-N 2.85Å; Y46-Q49 PolarHBondContact O-N 3.5Å; Y46-A50 PolarHBondContact O-N 2.81Å; Y46-M118 HydrophobicContact CE1-CB 4.04Å; Y46-M118 WeakPolarHBondContact CE1-O 3.29Å; Y46-E122 HydrophobicContact CD1-CB 3.96Å; Y46-E122 HydrophobicContact CD1-CG 4.11Å; Y46-E122 HydrophobicContact CD2-CB 4.26Å; Y46-E122 VanDerWaalsContact CD2-CD 3.48Å; Y46-E122 HydrophobicContact CD2-CG 3.88Å; Y46-E122 WeakPolarHBondContact CD2-OE2 3.42Å; Y46-E122 HydrophobicContact CE1-CB 4.05Å; Y46-E122 HydrophobicContact CE2-CB 4.36Å; Y46-E122 HydrophobicContact CE2-CG 4.4Å; Y46-E122 HydrophobicContact CG-CB 4.05Å; Y46-E122 HydrophobicContact CG-CG 3.71Å
47G94.7Very high92.1Very high5 Ų546.8 Ų46.85%0.05222%0.218CC..Hα-helixtrans57.1-132.917300000112.5I36 Q49 A50 A51I36-G47 WeakPolarHBondContact CG2-O 3.28Å; G47-Q49 VanDerWaalsContact C-N 3.31Å; G47-Q49 PolarHBondContact O-N 3.44Å; G47-A50 PolarHBondContact O-N 3.4Å; G47-A51 PolarHBondContact O-N 3.45Å
48D93.6Very high92.1Very high88 Ų8847.2 Ų47.247%0.47122%0.221SC..Hα-helixtrans-67.4-29.4-176-63.7-33.6000113.5L34 Y46 A51 A52L34-D48 WeakPolarHBondContact CD1-OD1 3.46Å; Y46-D48 PolarHBondContact O-N 2.85Å; D48-A51 PolarHBondContact O-N 2.97Å; D48-A52 WeakPolarHBondContact O-CB 3.38Å; D48-A52 PolarHBondContact O-N 2.97Å
49Q92.9Very high92.1Very high70 Ų7049.4 Ų49.433%0.32724%0.236SC..Hα-helixtrans-65-43.4173.7-69.8-179.7-19.900111K27 M45 Y46 G47 A51 A52 Q53K27-Q49 VanDerWaalsContact NZ-CD 3.27Å; M45-Q49 HydrophobicContact CB-CB 4.03Å; M45-Q49 HydrophobicContact CG-CB 4.35Å; Y46-Q49 PolarHBondContact O-N 3.5Å; G47-Q49 VanDerWaalsContact C-N 3.31Å; G47-Q49 PolarHBondContact O-N 3.44Å; Q49-A51 VanDerWaalsContact C-N 3.33Å; Q49-A52 PolarHBondContact O-N 3.18Å; Q49-Q53 WeakPolarHBondContact O-CB 3.45Å; Q49-Q53 PolarHBondContact O-N 3.04Å
50A95.8Very high92.3Very high0 Ų049.8 Ų49.80%024%0.239CC..Hα-helixtrans-67.7-33.4174.500000112.4I36 A38 M45 Y46 G47 Q53 R54I36-A50 HydrophobicContact CB-CB 4.47Å; I36-A50 HydrophobicContact CD1-CB 4.43Å; I36-A50 HydrophobicContact CG1-CB 4.12Å; I36-A50 HydrophobicContact CG2-CB 3.82Å; A38-A50 HydrophobicContact CB-CB 3.66Å; M45-A50 HydrophobicContact CB-CB 4.16Å; M45-A50 WeakPolarHBondContact O-CB 3.38Å; Y46-A50 PolarHBondContact O-N 2.81Å; G47-A50 PolarHBondContact O-N 3.4Å; A50-Q53 PolarHBondContact O-N 3.49Å; A50-R54 WeakPolarHBondContact O-CB 3.46Å; A50-R54 PolarHBondContact O-N 3.47Å
51A95.8Very high92.7Very high5 Ų546.6 Ų46.64%0.04123%0.225CC..Hα-helixtrans-65.7-41.4172.800000112.2L34 G47 D48 Q49 Q53 R54 R55L34-A51 HydrophobicContact CD1-CB 3.69Å; G47-A51 PolarHBondContact O-N 3.45Å; D48-A51 PolarHBondContact O-N 2.97Å; Q49-A51 VanDerWaalsContact C-N 3.33Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.19Å; A51-R54 WeakPolarHBondContact O-CB 3.48Å; A51-R54 PolarHBondContact O-N 3.45Å; A51-R55 PolarHBondContact O-N 2.71Å; A51-R55 VanDerWaalsContact O-N 3.15Å
52A95.2Very high93.3Very high36 Ų3641.3 Ų41.330%0.29820%0.197SC..Hα-helixtrans-61.9-40.6172.900000111.6D48 Q49 R55D48-A52 WeakPolarHBondContact O-CB 3.38Å; D48-A52 PolarHBondContact O-N 2.97Å; Q49-A52 PolarHBondContact O-N 3.18Å; A52-R55 PolarHBondContact O-N 2.83Å
53Q95.6Very high94.1Very high16 Ų1634.9 Ų34.98%0.07517%0.169CC..Hα-helixtrans-65.5-40174.8-177.25233.400112.1A38 M45 Q49 A50 A51 R55 R56 L57 S60A38-Q53 HydrophobicContact CB-CB 3.86Å; A38-Q53 HydrophobicContact CB-CG 3.7Å; M45-Q53 HydrophobicContact CE-CB 4.39Å; M45-Q53 HydrophobicContact CE-CG 3.97Å; M45-Q53 HydrophobicContact SD-CB 3.9Å; M45-Q53 HydrophobicContact SD-CG 4.15Å; Q49-Q53 WeakPolarHBondContact O-CB 3.45Å; Q49-Q53 PolarHBondContact O-N 3.04Å; A50-Q53 PolarHBondContact O-N 3.49Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.19Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-R55 PolarHBondContact O-N 3.32Å; Q53-R56 PolarHBondContact O-N 3.46Å; Q53-L57 PolarHBondContact O-N 2.88Å; Q53-S60 PolarHBondContact NE2-OG 2.83Å
54R96.6Very high94.8Very high27 Ų2733.9 Ų33.910%0.10217%0.165CC..Hα-helixtrans-57.2-40.4174.2-169.7-179.962166.82.3112.3I36 A50 A51 R56 P58 A61 I259 D263I36-R54 HydrophobicContact CD1-CB 4.11Å; I36-R54 HydrophobicContact CD1-CG 4.45Å; A50-R54 WeakPolarHBondContact O-CB 3.46Å; A50-R54 PolarHBondContact O-N 3.47Å; A51-R54 WeakPolarHBondContact O-CB 3.48Å; A51-R54 PolarHBondContact O-N 3.45Å; R54-R56 PolarHBondContact O-N 3.17Å; R54-P58 VanDerWaalsContact O-CA 3.31Å; R54-P58 WeakPolarHBondContact O-CA 3.3Å; R54-P58 WeakPolarHBondContact O-CD 3.16Å; R54-P58 WeakPolarHBondContact O-CG 3.36Å; R54-A61 HydrophobicContact CB-CB 3.5Å; R54-A61 HydrophobicContact CG-CB 3.93Å; R54-I259 HydrophobicContact CG-CD1 4.4Å; R54-I259 HydrophobicContact CG-CG1 4.44Å; R54-I259 HydrophobicContact CG-CG2 4.14Å; R54-D263 IonicContact CZ-OD1 2.83Å; R54-D263 IonicContact NH2-OD1 2.77Å; R54-D263 PolarHBondContact NH2-OD1 3.1Å
55R94.9Very high95.2Very high100 Ų10033.8 Ų33.838%0.37716%0.164SC..Hα-helixtrans-65.8-19.6175.9-77.2-170.3-69.7-82.73.9113.9A51 A52 Q53 R256 I259 D263A51-R55 PolarHBondContact O-N 2.71Å; A51-R55 VanDerWaalsContact O-N 3.15Å; A52-R55 PolarHBondContact O-N 2.83Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-R55 PolarHBondContact O-N 3.32Å; R55-R256 WeakPolarHBondContact O-CG 2.87Å; R55-I259 HydrophobicContact CG-CG2 4.04Å; R55-D263 VanDerWaalsContact CD-OD2 3.23Å; R55-D263 WeakPolarHBondContact CD-OD2 3.49Å; R55-D263 WeakPolarHBondContact CG-OD2 3.4Å; R55-D263 IonicContact CZ-OD2 3.39Å; R55-D263 IonicContact NE-OD2 3.25Å; R55-D263 IonicContact NH1-OD2 3.49Å; R55-D263 PolarHBondContact NH1-OD2 3.48Å
56R94Very high95.5Very high193 Ų19332.9 Ų32.973%0.72816%0.16SC*.Hα-helixtrans-96.9-45.2178.6-66.8179.2177.5177.9-1.3111.8Q53 R54Q53-R56 PolarHBondContact O-N 3.46Å; R54-R56 PolarHBondContact O-N 3.17Å
57L94.8Very high95.6Very high57 Ų5732.7 Ų32.730%0.29816%0.16SC..  trans-141.285.4-177.9-177.761.9000109.6K40 Q53 S59 S60K40-L57 HydrophobicContact CD-CD2 4.14Å; Q53-L57 PolarHBondContact O-N 2.88Å; L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-N 3.33Å; L57-S60 PolarHBondContact O-OG 3.11Å
58P96.1Very high95.7Very high9 Ų932.5 Ų32.56%0.05816%0.157CC..G310 helixtrans-52.4-40.8-174.7-29.734.7000114.5R54 S60 A61 F87 H255 I259R54-P58 VanDerWaalsContact O-CA 3.31Å; R54-P58 WeakPolarHBondContact O-CA 3.3Å; R54-P58 WeakPolarHBondContact O-CD 3.16Å; R54-P58 WeakPolarHBondContact O-CG 3.36Å; P58-S60 PolarHBondContact O-N 3.46Å; P58-S60 VanDerWaalsContact O-N 3.15Å; P58-A61 PolarHBondContact O-N 3.39Å; P58-A61 VanDerWaalsContact O-N 3.16Å; P58-F87 HydrophobicContact CB-CB 4.31Å; P58-F87 HydrophobicContact CB-CD1 3.99Å; P58-F87 HydrophobicContact CB-CD2 3.59Å; P58-F87 HydrophobicContact CB-CE1 4.18Å; P58-F87 HydrophobicContact CB-CE2 3.77Å; P58-F87 HydrophobicContact CB-CG 3.69Å; P58-F87 HydrophobicContact CB-CZ 4.06Å; P58-F87 WeakPolarHBondContact O-CE2 3.46Å; P58-H255 HydrophobicContact CG-CB 4.23Å; P58-I259 HydrophobicContact CB-CG1 3.99Å; P58-I259 HydrophobicContact CG-CB 4.48Å; P58-I259 HydrophobicContact CG-CG1 3.85Å
59S95Very high95.9Very high47 Ų4728.3 Ų28.333%0.32914%0.135SC..G310 helixtrans-66.4-14.1-17955.80000114.7L57L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.49Å
60S94.7Very high96Very high8 Ų825.2 Ų25.26%0.05612%0.122CC..G310 helixtrans-90.4-7.1176.967.10000114.1A38 I39 Q53 L57 P58A38-S60 CarbonylContact C-O 3.54Å; A38-S60 VanDerWaalsContact CA-O 3.23Å; A38-S60 WeakPolarHBondContact CA-O 3.5Å; I39-S60 PolarHBondContact N-O 3.49Å; I39-S60 WeakPolarHBondContact O-CB 3.41Å; Q53-S60 PolarHBondContact NE2-OG 2.83Å; L57-S60 PolarHBondContact O-N 3.33Å; L57-S60 PolarHBondContact O-OG 3.11Å; P58-S60 PolarHBondContact O-N 3.46Å; P58-S60 VanDerWaalsContact O-N 3.15Å
61A96.8Very high96Very high0 Ų025.4 Ų25.40%012%0.123CC..EExtended strand (participates in β ladder)trans-124.9106.1-171.400000111.4I36 V37 A38 R54 P58 Y88I36-A61 HydrophobicContact CD1-CB 4.12Å; V37-A61 CarbonylContact O-C 3.22Å; V37-A61 WeakPolarHBondContact O-CA 3.3Å; A38-A61 HydrophobicContact CB-CB 3.66Å; R54-A61 HydrophobicContact CB-CB 3.5Å; R54-A61 HydrophobicContact CG-CB 3.93Å; P58-A61 PolarHBondContact O-N 3.39Å; P58-A61 VanDerWaalsContact O-N 3.16Å; A61-Y88 PolarHBondContact O-OH 3.16Å
62Y97.4Very high96.1Very high0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-88.9122-171.9-48.3-82.8000112.1I36 V37 I39 Y88 L101 S103 Y110 L115I36-Y62 WeakPolarHBondContact CA-O 3.19Å; I36-Y62 WeakPolarHBondContact CG1-O 3.41Å; V37-Y62 HydrophobicContact CG1-CD2 4.22Å; V37-Y62 PolarHBondContact N-O 3.1Å; V37-Y62 VanDerWaalsContact N-O 3.1Å; V37-Y62 WeakPolarHBondContact O-CD2 3.34Å; V37-Y62 PolarHBondContact O-N 3.39Å; I39-Y62 HydrophobicContact CB-CE2 4.45Å; I39-Y62 HydrophobicContact CD1-CE2 3.96Å; I39-Y62 HydrophobicContact CG1-CD2 4.46Å; I39-Y62 HydrophobicContact CG1-CE2 3.98Å; Y62-Y88 VanDerWaalsContact CA-OH 3.29Å; Y62-Y88 WeakPolarHBondContact CA-OH 3.15Å; Y62-Y88 HydrophobicContact CD1-CD1 4.23Å; Y62-Y88 AromaticContact CD1-CE1 3.76Å; Y62-Y88 HydrophobicContact CD1-CE1 3.76Å; Y62-Y88 HydrophobicContact CE1-CE1 4.39Å; Y62-L101 HydrophobicContact CD1-CB 4.25Å; Y62-L101 HydrophobicContact CD1-CD2 3.6Å; Y62-L101 HydrophobicContact CE1-CB 3.95Å; Y62-L101 HydrophobicContact CE1-CD2 4.15Å; Y62-S103 WeakPolarHBondContact OH-CB 3.44Å; Y62-S103 PolarHBondContact OH-OG 3.25Å; Y62-S103 VanDerWaalsContact OH-OG 3.08Å; Y62-Y110 HydrophobicContact CE2-CD2 4.2Å; Y62-Y110 AromaticContact CZ-CD2 3.94Å; Y62-Y110 WeakPolarHBondContact OH-CD2 3.34Å; Y62-L115 HydrophobicContact CD1-CD1 3.94Å; Y62-L115 HydrophobicContact CD2-CD1 4.36Å; Y62-L115 HydrophobicContact CD2-CD2 3.59Å; Y62-L115 HydrophobicContact CE2-CD2 4.02Å; Y62-L115 HydrophobicContact CG-CD1 3.77Å; Y62-L115 HydrophobicContact CG-CD2 3.87Å; Y62-L115 HydrophobicContact CG-CG 4.47Å
63T97.4Very high96.1Very high7 Ų730 Ų304%0.04314%0.136CC..EExtended strand (participates in β ladder)trans-132.9161.9-177.8-169.80000111.3C65 F85 Y88T63-C65 PolarHBondContact O-N 3.33Å; T63-F85 HydrophobicContact CG2-CD1 4.48Å; T63-F85 HydrophobicContact CG2-CE1 4.08Å; T63-F85 HydrophobicContact CG2-CZ 4.21Å; T63-Y88 PolarHBondContact N-OH 3.19Å
64F97.4Very high96.1Very high7 Ų735.4 Ų35.43%0.03117%0.165CC..  trans53.923179.9-70.6-95.7000114.7Q8 V66 D67 F81 F85 A201 L227Q8-F64 HydrophobicContact CB-CZ 4.05Å; Q8-F64 HydrophobicContact CG-CZ 4.35Å; F64-V66 PolarHBondContact O-N 3.4Å; F64-V66 VanDerWaalsContact O-N 3.08Å; F64-D67 PolarHBondContact O-N 3.2Å; F64-D67 VanDerWaalsContact O-N 3.11Å; F64-F81 HydrophobicContact CB-CE2 4.21Å; F64-F85 HydrophobicContact CB-CE2 3.84Å; F64-F85 HydrophobicContact CB-CZ 4.21Å; F64-F85 HydrophobicContact CD2-CE1 4.37Å; F64-F85 AromaticContact CD2-CE2 3.99Å; F64-F85 HydrophobicContact CD2-CE2 3.99Å; F64-F85 AromaticContact CD2-CZ 3.45Å; F64-F85 HydrophobicContact CD2-CZ 3.45Å; F64-F85 VanDerWaalsContact CD2-CZ 3.45Å; F64-F85 AromaticContact CE2-CZ 3.99Å; F64-F85 HydrophobicContact CE2-CZ 3.99Å; F64-F85 HydrophobicContact CG-CE2 4.04Å; F64-F85 AromaticContact CG-CZ 3.94Å; F64-F85 HydrophobicContact CG-CZ 3.94Å; F64-A201 HydrophobicContact CE1-CB 4Å; F64-A201 HydrophobicContact CZ-CB 4.29Å; F64-L227 HydrophobicContact CD1-CD2 4.1Å; F64-L227 HydrophobicContact CE1-CB 4.32Å; F64-L227 HydrophobicContact CE1-CD2 3.81Å; F64-L227 HydrophobicContact CE2-CD1 4.42Å; F64-L227 HydrophobicContact CE2-CD2 4.26Å; F64-L227 HydrophobicContact CG-CD2 4.46Å; F64-L227 HydrophobicContact CZ-CB 4.26Å; F64-L227 HydrophobicContact CZ-CD1 4.22Å; F64-L227 HydrophobicContact CZ-CD2 3.9Å; F64-L227 HydrophobicContact CZ-CG 4.35Å
65C97Very high96.1Very high4 Ų434.6 Ų34.63%0.02716%0.162CC..G310 helixtrans-65.5-15.2-176.6-56.20000113.9T63 D67 L68 L116T63-C65 PolarHBondContact O-N 3.33Å; C65-D67 PolarHBondContact O-N 3.5Å; C65-L68 PolarHBondContact O-N 3.22Å; C65-L68 VanDerWaalsContact O-N 3.16Å; C65-L116 HydrophobicContact CB-CD2 4.26Å
66V96.8Very high96.1Very high1 Ų132.3 Ų32.31%0.00616%0.161CC..G310 helixtrans-56.4-34.3172-179.60000111.4L5 F64 L68 L69 L116 P143 F146L5-V66 HydrophobicContact CD2-CG2 4.5Å; L5-V66 HydrophobicContact CG-CG2 4.38Å; F64-V66 PolarHBondContact O-N 3.4Å; F64-V66 VanDerWaalsContact O-N 3.08Å; V66-L68 VanDerWaalsContact C-N 3.3Å; V66-L68 PolarHBondContact O-N 3.43Å; V66-L69 WeakPolarHBondContact O-CB 3.23Å; V66-L69 PolarHBondContact O-N 2.86Å; V66-L116 HydrophobicContact CG2-CD1 4.32Å; V66-L116 HydrophobicContact CG2-CD2 3.75Å; V66-P143 HydrophobicContact CG1-CG 4.48Å; V66-F146 HydrophobicContact CG1-CZ 3.81Å
67D95.7Very high96.3Very high6 Ų623.4 Ų23.43%0.03213%0.128CC..G310 helixtrans-70.7-25.6-178.9-69.6-16.3000112.6F64 C65 V77 R84 S202F64-D67 PolarHBondContact O-N 3.2Å; F64-D67 VanDerWaalsContact O-N 3.11Å; C65-D67 PolarHBondContact O-N 3.5Å; D67-V77 HydrophobicContact CB-CG1 4.43Å; D67-V77 VanDerWaalsContact O-CG1 3.25Å; D67-V77 WeakPolarHBondContact O-CG1 3.29Å; D67-R84 IonicContact OD2-NH1 3.17Å; D67-R84 PolarHBondContact OD2-NH1 3.29Å; D67-S202 PolarHBondContact OD1-OG 3.15Å
68L97.3Very high96.4Very high1 Ų120.7 Ų20.71%0.00511%0.113CC..G310 helixtrans-85.9-12.4-179.8-64.1-179.9000113.5C65 V66 G70 K71 V78 F81 I99 L101 P112C65-L68 PolarHBondContact O-N 3.22Å; C65-L68 VanDerWaalsContact O-N 3.16Å; V66-L68 VanDerWaalsContact C-N 3.3Å; V66-L68 PolarHBondContact O-N 3.43Å; L68-G70 PolarHBondContact O-N 3.47Å; L68-K71 PolarHBondContact O-N 3.13Å; L68-V78 HydrophobicContact CD2-CG1 4.41Å; L68-V78 HydrophobicContact CD2-CG2 4.21Å; L68-F81 HydrophobicContact CD1-CD1 3.99Å; L68-F81 HydrophobicContact CD1-CD2 4.21Å; L68-F81 HydrophobicContact CD1-CE1 3.76Å; L68-F81 HydrophobicContact CD1-CE2 4Å; L68-F81 HydrophobicContact CD1-CG 4.21Å; L68-F81 HydrophobicContact CD1-CZ 3.77Å; L68-F81 HydrophobicContact CD2-CB 3.78Å; L68-F81 HydrophobicContact CD2-CD1 3.94Å; L68-F81 HydrophobicContact CD2-CD2 4.03Å; L68-F81 HydrophobicContact CD2-CG 3.65Å; L68-F81 HydrophobicContact CG-CD1 4.28Å; L68-F81 HydrophobicContact CG-CD2 3.92Å; L68-F81 HydrophobicContact CG-CE1 4.45Å; L68-F81 HydrophobicContact CG-CE2 4.11Å; L68-F81 HydrophobicContact CG-CG 4.01Å; L68-F81 HydrophobicContact CG-CZ 4.38Å; L68-I99 HydrophobicContact CB-CD1 4.49Å; L68-I99 HydrophobicContact CD1-CG2 4.36Å; L68-L101 HydrophobicContact CD1-CD1 4.23Å; L68-L101 HydrophobicContact CD1-CD2 4.38Å; L68-P112 HydrophobicContact CB-CB 4.17Å; L68-P112 HydrophobicContact CB-CG 3.7Å; L68-P112 HydrophobicContact CD1-CG 4.42Å
69L96.2Very high96.4Very high0 Ų025.4 Ų25.40%014%0.135CC..THydrogen-bonded Turntrans-62.8132.9-172.3-163.866.4000111.3V66 K71 P112 E113 L116 F146 E150 A153 M154V66-L69 WeakPolarHBondContact O-CB 3.23Å; V66-L69 PolarHBondContact O-N 2.86Å; L69-K71 PolarHBondContact O-N 3.3Å; L69-K71 VanDerWaalsContact O-N 3.15Å; L69-P112 HydrophobicContact CD1-CB 4.3Å; L69-E113 HydrophobicContact CD1-CG 3.85Å; L69-L116 HydrophobicContact CB-CD1 4.46Å; L69-L116 HydrophobicContact CD1-CD1 3.82Å; L69-L116 HydrophobicContact CD2-CD1 3.91Å; L69-L116 HydrophobicContact CG-CD1 4.28Å; L69-F146 HydrophobicContact CD2-CE2 3.98Å; L69-F146 HydrophobicContact CD2-CZ 4.42Å; L69-E150 VanDerWaalsContact O-CG 3.3Å; L69-E150 WeakPolarHBondContact O-CG 3.15Å; L69-A153 HydrophobicContact CD1-CB 3.68Å; L69-A153 HydrophobicContact CD2-CB 4.33Å; L69-A153 HydrophobicContact CG-CB 3.61Å; L69-M154 HydrophobicContact CD2-CB 3.82Å; L69-M154 HydrophobicContact CD2-CE 3.56Å; L69-M154 HydrophobicContact CD2-SD 4.29Å
70G95.9Very high96.4Very high6 Ų625 Ų256%0.06213%0.128CC..THydrogen-bonded Turntrans59.527.4176.800000114.4L68 I612L68-G70 PolarHBondContact O-N 3.47Å; G70-I612 WeakPolarHBondContact O-CD1 3.45Å
71K96.5Very high96.6Very high3 Ų324.7 Ų24.71%0.01313%0.125CC..  trans-106147.6173.8-58.8-57.4173.9-1740111.2L68 L69 N75 V78 T98 I99 E150 S462L68-K71 PolarHBondContact O-N 3.13Å; L69-K71 PolarHBondContact O-N 3.3Å; L69-K71 VanDerWaalsContact O-N 3.15Å; K71-N75 HydrophobicContact CB-CB 4.26Å; K71-V78 HydrophobicContact CB-CG2 4.22Å; K71-T98 WeakPolarHBondContact O-CA 3.43Å; K71-I99 HydrophobicContact CB-CD1 3.76Å; K71-I99 WeakPolarHBondContact O-CD1 3.26Å; K71-E150 WeakPolarHBondContact CE-OE1 3.5Å; K71-E150 IonicContact NZ-OE1 3.15Å; K71-E150 PolarHBondContact NZ-OE1 3.11Å; K71-E150 IonicContact NZ-OE2 2.7Å; K71-E150 PolarHBondContact NZ-OE2 2.99Å; K71-S462 PolarHBondContact NZ-O 2.95Å
72K96.3Very high96.6Very high85 Ų8526.8 Ų26.837%0.3714%0.136SC..BIsolated β-bridgetrans-78.6153.2164.8-69.6-169.9179.7179.40109.8N74 N75 V78 G97 D611K72-N74 PolarHBondContact O-N 3.07Å; K72-N75 WeakPolarHBondContact O-CB 3.33Å; K72-N75 PolarHBondContact O-N 3.31Å; K72-V78 WeakPolarHBondContact O-CG2 3.27Å; K72-G97 CarbonylContact C-O 3.49Å; K72-G97 VanDerWaalsContact CA-O 3.27Å; K72-G97 WeakPolarHBondContact CA-O 3.47Å; K72-D611 WeakPolarHBondContact CE-O 3.45Å; K72-D611 PolarHBondContact NZ-O 3.35Å
73F96.7Very high96.5Very high54 Ų5432.2 Ų32.224%0.23716%0.157CC..THydrogen-bonded Turntrans-54.2-36.8-178-174.6-98.5000113.7N75 L90 A91 Q92 G97F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 PolarHBondContact O-N 3.39Å; F73-L90 HydrophobicContact CE2-CB 3.81Å; F73-A91 WeakPolarHBondContact CD2-O 3.3Å; F73-A91 VanDerWaalsContact CE2-C 3.48Å; F73-Q92 HydrophobicContact CB-CB 3.83Å; F73-Q92 HydrophobicContact CB-CG 3.78Å; F73-Q92 HydrophobicContact CD1-CB 4.11Å; F73-Q92 HydrophobicContact CD2-CB 3.99Å; F73-Q92 HydrophobicContact CG-CB 3.71Å; F73-Q92 HydrophobicContact CG-CG 4.22Å; F73-G97 PolarHBondContact N-O 2.97Å
74N95.1Very high96.5Very high129 Ų12932.1 Ų32.169%0.6916%0.156SC*.THydrogen-bonded Turntrans-85.85.918068.3-14.7000114.7K72K72-N74 PolarHBondContact O-N 3.07Å
75N96.2Very high96.4Very high9 Ų931.8 Ų31.85%0.04815%0.154CC..SBendtrans-70.5138.8179.4-172.4-70.6000110.7K71 K72 F73 V77 V78 S462K71-N75 HydrophobicContact CB-CB 4.26Å; K72-N75 WeakPolarHBondContact O-CB 3.33Å; K72-N75 PolarHBondContact O-N 3.31Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 PolarHBondContact O-N 3.39Å; N75-V77 PolarHBondContact O-N 3.33Å; N75-V77 VanDerWaalsContact O-N 3.09Å; N75-V77 VanDerWaalsContact OD1-CB 3.31Å; N75-V77 WeakPolarHBondContact OD1-CB 3.34Å; N75-V77 VanDerWaalsContact OD1-CG2 3.26Å; N75-V77 WeakPolarHBondContact OD1-CG2 3.4Å; N75-V77 PolarHBondContact OD1-N 3.05Å; N75-V78 HydrophobicContact CB-CG2 4.31Å; N75-V78 WeakPolarHBondContact O-CB 3.34Å; N75-V78 PolarHBondContact O-N 2.94Å; N75-S462 PolarHBondContact ND2-O 3.41Å
76P96Very high96.4Very high53 Ų5335.1 Ų35.134%0.34418%0.176SC..Hα-helixtrans-54.1-30178.6-28.735.8000115V78 Q79 E80 Q461P76-V78 PolarHBondContact O-N 2.7Å; P76-Q79 PolarHBondContact O-N 3.37Å; P76-E80 PolarHBondContact O-N 2.93Å; P76-Q461 WeakPolarHBondContact CD-O 3.27Å; P76-Q461 HydrophobicContact CG-CB 4.32Å
77V96.3Very high96.2Very high5 Ų536.1 Ų36.13%0.0318%0.18CC..Hα-helixtrans-59.7-34.1175.4177.60000111.5D67 N75 E80 F81 Y223D67-V77 HydrophobicContact CB-CG1 4.43Å; D67-V77 VanDerWaalsContact O-CG1 3.25Å; D67-V77 WeakPolarHBondContact O-CG1 3.29Å; N75-V77 PolarHBondContact O-N 3.33Å; N75-V77 VanDerWaalsContact O-N 3.09Å; N75-V77 VanDerWaalsContact OD1-CB 3.31Å; N75-V77 WeakPolarHBondContact OD1-CB 3.34Å; N75-V77 VanDerWaalsContact OD1-CG2 3.26Å; N75-V77 WeakPolarHBondContact OD1-CG2 3.4Å; N75-V77 PolarHBondContact OD1-N 3.05Å; V77-E80 PolarHBondContact O-N 3.45Å; V77-F81 WeakPolarHBondContact O-CB 3.26Å; V77-F81 PolarHBondContact O-N 3.43Å; V77-Y223 VanDerWaalsContact CG2-OH 3.3Å; V77-Y223 WeakPolarHBondContact CG2-OH 3.29Å
78V97.3Very high96.3Very high0 Ų036.4 Ų36.40%018%0.181CC..Hα-helixtrans-70.5-39.2178.4-176.50000111L68 K71 K72 N75 P76 F81 L82 L90 I99L68-V78 HydrophobicContact CD2-CG1 4.41Å; L68-V78 HydrophobicContact CD2-CG2 4.21Å; K71-V78 HydrophobicContact CB-CG2 4.22Å; K72-V78 WeakPolarHBondContact O-CG2 3.27Å; N75-V78 HydrophobicContact CB-CG2 4.31Å; N75-V78 WeakPolarHBondContact O-CB 3.34Å; N75-V78 PolarHBondContact O-N 2.94Å; P76-V78 PolarHBondContact O-N 2.7Å; V78-F81 WeakPolarHBondContact O-CB 3.26Å; V78-F81 PolarHBondContact O-N 3.4Å; V78-L82 PolarHBondContact O-N 3.21Å; V78-L90 HydrophobicContact CG1-CD1 3.66Å; V78-I99 HydrophobicContact CG1-CG1 4.11Å; V78-I99 HydrophobicContact CG2-CD1 3.63Å; V78-I99 HydrophobicContact CG2-CG1 3.78Å
79Q95.6Very high96.3Very high109 Ų10942 Ų4251%0.50921%0.207SC..Hα-helixtrans-65.6-41.9175.8-62.5-57.8-40.700111.2P76 F81 L82 R83P76-Q79 PolarHBondContact O-N 3.37Å; Q79-F81 VanDerWaalsContact C-N 3.33Å; Q79-F81 PolarHBondContact O-N 3.39Å; Q79-L82 PolarHBondContact O-N 2.99Å; Q79-R83 PolarHBondContact O-N 2.92Å
80E96.2Very high96.3Very high38 Ų3843 Ų4318%0.17821%0.212CC..Hα-helixtrans-65.4-37.2175-179.858.4-16500112.2P76 V77 R83 R84 Y223P76-E80 PolarHBondContact O-N 2.93Å; V77-E80 PolarHBondContact O-N 3.45Å; E80-R83 VanDerWaalsContact CD-NE 3.31Å; E80-R83 WeakPolarHBondContact O-CB 3.34Å; E80-R83 PolarHBondContact O-N 3.36Å; E80-R83 IonicContact OE1-CZ 2.77Å; E80-R83 VanDerWaalsContact OE1-CZ 3.31Å; E80-R83 IonicContact OE1-NE 3.4Å; E80-R83 PolarHBondContact OE1-NE 3.37Å; E80-R83 VanDerWaalsContact OE1-NE 3.1Å; E80-R83 IonicContact OE1-NH2 3.9Å; E80-R83 PolarHBondContact OE1-NH2 3.38Å; E80-R83 IonicContact OE2-CZ 3.08Å; E80-R83 IonicContact OE2-NE 3.29Å; E80-R83 PolarHBondContact OE2-NE 3.36Å; E80-R83 IonicContact OE2-NH2 3.1Å; E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.46Å; E80-R84 PolarHBondContact O-N 3.22Å; E80-R84 VanDerWaalsContact O-N 3.14Å; E80-R84 IonicContact OE1-CZ 3.18Å; E80-R84 IonicContact OE1-NE 3.02Å; E80-R84 PolarHBondContact OE1-NE 3.24Å; E80-R84 IonicContact OE1-NH2 3.2Å; E80-Y223 HydrophobicContact CB-CD1 4.41Å; E80-Y223 HydrophobicContact CB-CE1 3.9Å; E80-Y223 HydrophobicContact CG-CD1 3.62Å; E80-Y223 HydrophobicContact CG-CE1 3.62Å
81F97.8Very high96.4Very high1 Ų144.1 Ų44.10%0.00422%0.22CC..Hα-helixtrans-60-46.1172.4179.1-88.3000111.8F64 L68 V77 V78 Q79 R83 R84 F85 Y88 L90F64-F81 HydrophobicContact CB-CE2 4.21Å; L68-F81 HydrophobicContact CD1-CD1 3.99Å; L68-F81 HydrophobicContact CD1-CD2 4.21Å; L68-F81 HydrophobicContact CD1-CE1 3.76Å; L68-F81 HydrophobicContact CD1-CE2 4Å; L68-F81 HydrophobicContact CD1-CG 4.21Å; L68-F81 HydrophobicContact CD1-CZ 3.77Å; L68-F81 HydrophobicContact CD2-CB 3.78Å; L68-F81 HydrophobicContact CD2-CD1 3.94Å; L68-F81 HydrophobicContact CD2-CD2 4.03Å; L68-F81 HydrophobicContact CD2-CG 3.65Å; L68-F81 HydrophobicContact CG-CD1 4.28Å; L68-F81 HydrophobicContact CG-CD2 3.92Å; L68-F81 HydrophobicContact CG-CE1 4.45Å; L68-F81 HydrophobicContact CG-CE2 4.11Å; L68-F81 HydrophobicContact CG-CG 4.01Å; L68-F81 HydrophobicContact CG-CZ 4.38Å; V77-F81 WeakPolarHBondContact O-CB 3.26Å; V77-F81 PolarHBondContact O-N 3.43Å; V78-F81 WeakPolarHBondContact O-CB 3.26Å; V78-F81 PolarHBondContact O-N 3.4Å; Q79-F81 VanDerWaalsContact C-N 3.33Å; Q79-F81 PolarHBondContact O-N 3.39Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 2.8Å; F81-R84 PolarHBondContact O-N 3.17Å; F81-F85 AromaticContact CD2-CD2 3.96Å; F81-F85 HydrophobicContact CD2-CD2 3.96Å; F81-F85 HydrophobicContact CD2-CE2 4.28Å; F81-F85 HydrophobicContact CE1-CD2 4.39Å; F81-F85 AromaticContact CE2-CD2 3.73Å; F81-F85 HydrophobicContact CE2-CD2 3.73Å; F81-F85 HydrophobicContact CE2-CE2 4.07Å; F81-F85 HydrophobicContact CG-CD2 4.38Å; F81-F85 AromaticContact CZ-CD2 3.96Å; F81-F85 HydrophobicContact CZ-CD2 3.96Å; F81-F85 PolarHBondContact O-N 3.31Å; F81-Y88 AromaticContact CE1-CD2 3.42Å; F81-Y88 HydrophobicContact CE1-CD2 3.42Å; F81-Y88 VanDerWaalsContact CE1-CD2 3.42Å; F81-Y88 AromaticContact CE1-CE2 3.81Å; F81-Y88 HydrophobicContact CE1-CE2 3.81Å; F81-Y88 HydrophobicContact CE1-CG 4.27Å; F81-Y88 AromaticContact CZ-CD2 3.7Å; F81-Y88 HydrophobicContact CZ-CD2 3.7Å; F81-Y88 AromaticContact CZ-CE2 3.56Å; F81-Y88 HydrophobicContact CZ-CE2 3.56Å; F81-L90 HydrophobicContact CD1-CD1 4.38Å
82L96.8Very high96.4Very high44 Ų4449.4 Ų49.423%0.2325%0.245CC..Hα-helixtrans-64.2-36.4176.5-78.2174.7000112.7V78 Q79 R84 F85 P86 L90V78-L82 PolarHBondContact O-N 3.21Å; Q79-L82 PolarHBondContact O-N 2.99Å; L82-R84 VanDerWaalsContact C-N 3.28Å; L82-R84 PolarHBondContact O-N 2.97Å; L82-F85 CarbonylContact O-C 3.56Å; L82-F85 PolarHBondContact O-N 2.73Å; L82-P86 VanDerWaalsContact O-CA 3.23Å; L82-P86 WeakPolarHBondContact O-CA 3.33Å; L82-L90 HydrophobicContact CD1-CD1 3.96Å; L82-L90 HydrophobicContact CD2-CD1 3.7Å; L82-L90 HydrophobicContact CD2-CG 3.85Å; L82-L90 HydrophobicContact CG-CD1 3.69Å; L82-L90 HydrophobicContact CG-CG 4.35Å
83R96.3Very high96.3Very high114 Ų11446.4 Ų46.443%0.4323%0.233SC..Hα-helixtrans-59.3-40.7173.3-171.2-165.169.180-4.1111.7Q79 E80 F81 E228Q79-R83 PolarHBondContact O-N 2.92Å; E80-R83 VanDerWaalsContact CD-NE 3.31Å; E80-R83 WeakPolarHBondContact O-CB 3.34Å; E80-R83 PolarHBondContact O-N 3.36Å; E80-R83 IonicContact OE1-CZ 2.77Å; E80-R83 VanDerWaalsContact OE1-CZ 3.31Å; E80-R83 IonicContact OE1-NE 3.4Å; E80-R83 PolarHBondContact OE1-NE 3.37Å; E80-R83 VanDerWaalsContact OE1-NE 3.1Å; E80-R83 IonicContact OE1-NH2 3.9Å; E80-R83 PolarHBondContact OE1-NH2 3.38Å; E80-R83 IonicContact OE2-CZ 3.08Å; E80-R83 IonicContact OE2-NE 3.29Å; E80-R83 PolarHBondContact OE2-NE 3.36Å; E80-R83 IonicContact OE2-NH2 3.1Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 2.8Å; R83-E228 IonicContact NH2-OE1 3.55Å; R83-E228 PolarHBondContact NH2-OE1 3.3Å; R83-E228 IonicContact NH2-OE2 3.07Å; R83-E228 PolarHBondContact NH2-OE2 3.37Å; R83-E228 VanDerWaalsContact NH2-OE2 3.1Å
84R96.7Very high96.1Very high5 Ų553 Ų532%0.01927%0.265CS..Hα-helixtrans-73.2-37.6179.1-64.4168.1172.51720.1111.8D67 E80 F81 L82 E228 L231D67-R84 IonicContact OD2-NH1 3.17Å; D67-R84 PolarHBondContact OD2-NH1 3.29Å; E80-R84 VanDerWaalsContact O-CG 3.29Å; E80-R84 WeakPolarHBondContact O-CG 3.46Å; E80-R84 PolarHBondContact O-N 3.22Å; E80-R84 VanDerWaalsContact O-N 3.14Å; E80-R84 IonicContact OE1-CZ 3.18Å; E80-R84 IonicContact OE1-NE 3.02Å; E80-R84 PolarHBondContact OE1-NE 3.24Å; E80-R84 IonicContact OE1-NH2 3.2Å; F81-R84 PolarHBondContact O-N 3.17Å; L82-R84 VanDerWaalsContact C-N 3.28Å; L82-R84 PolarHBondContact O-N 2.97Å; R84-E228 IonicContact CZ-OE1 2.65Å; R84-E228 IonicContact NE-OE1 3.81Å; R84-E228 PolarHBondContact NE-OE1 2.92Å; R84-E228 IonicContact NH2-OE1 3.7Å; R84-E228 PolarHBondContact NH2-OE1 3.29Å; R84-L231 HydrophobicContact CB-CD1 4.25Å; R84-L231 HydrophobicContact CG-CD1 3.75Å
85F96.6Very high96Very high1 Ų155.1 Ų55.10%0.00427%0.268CS..  trans-13372.1-173.4-50.6-67.5000112.1T63 F64 F81 L82 F87 Y88 L227T63-F85 HydrophobicContact CG2-CD1 4.48Å; T63-F85 HydrophobicContact CG2-CE1 4.08Å; T63-F85 HydrophobicContact CG2-CZ 4.21Å; F64-F85 HydrophobicContact CB-CE2 3.84Å; F64-F85 HydrophobicContact CB-CZ 4.21Å; F64-F85 HydrophobicContact CD2-CE1 4.37Å; F64-F85 AromaticContact CD2-CE2 3.99Å; F64-F85 HydrophobicContact CD2-CE2 3.99Å; F64-F85 AromaticContact CD2-CZ 3.45Å; F64-F85 HydrophobicContact CD2-CZ 3.45Å; F64-F85 VanDerWaalsContact CD2-CZ 3.45Å; F64-F85 AromaticContact CE2-CZ 3.99Å; F64-F85 HydrophobicContact CE2-CZ 3.99Å; F64-F85 HydrophobicContact CG-CE2 4.04Å; F64-F85 AromaticContact CG-CZ 3.94Å; F64-F85 HydrophobicContact CG-CZ 3.94Å; F81-F85 AromaticContact CD2-CD2 3.96Å; F81-F85 HydrophobicContact CD2-CD2 3.96Å; F81-F85 HydrophobicContact CD2-CE2 4.28Å; F81-F85 HydrophobicContact CE1-CD2 4.39Å; F81-F85 AromaticContact CE2-CD2 3.73Å; F81-F85 HydrophobicContact CE2-CD2 3.73Å; F81-F85 HydrophobicContact CE2-CE2 4.07Å; F81-F85 HydrophobicContact CG-CD2 4.38Å; F81-F85 AromaticContact CZ-CD2 3.96Å; F81-F85 HydrophobicContact CZ-CD2 3.96Å; F81-F85 PolarHBondContact O-N 3.31Å; L82-F85 CarbonylContact O-C 3.56Å; L82-F85 PolarHBondContact O-N 2.73Å; F85-F87 HydrophobicContact CB-CE1 4.06Å; F85-F87 HydrophobicContact CB-CE2 4.45Å; F85-F87 HydrophobicContact CB-CZ 3.95Å; F85-F87 HydrophobicContact CD1-CE1 4.1Å; F85-F87 AromaticContact CD1-CZ 3.89Å; F85-F87 HydrophobicContact CD1-CZ 3.89Å; F85-F87 HydrophobicContact CG-CZ 4.33Å; F85-F87 PolarHBondContact O-N 3.26Å; F85-F87 VanDerWaalsContact O-N 3.08Å; F85-Y88 HydrophobicContact CB-CD2 3.46Å; F85-Y88 VanDerWaalsContact CB-CD2 3.46Å; F85-Y88 HydrophobicContact CB-CE2 3.44Å; F85-Y88 VanDerWaalsContact CB-CE2 3.44Å; F85-Y88 HydrophobicContact CD2-CE2 4.33Å; F85-Y88 HydrophobicContact CG-CD2 4.37Å; F85-Y88 AromaticContact CG-CE2 3.9Å; F85-Y88 HydrophobicContact CG-CE2 3.9Å; F85-Y88 PolarHBondContact O-N 3.05Å; F85-L227 HydrophobicContact CE2-CD2 4.32Å; F85-L227 HydrophobicContact CZ-CD1 4.48Å; F85-L227 HydrophobicContact CZ-CD2 3.87Å
86P95.5Very high95.8Very high74 Ų7455.8 Ų55.848%0.48127%0.27SS..THydrogen-bonded Turntrans-70.5-7.9-17228.1-36.6000114.4L82L82-P86 VanDerWaalsContact O-CA 3.23Å; L82-P86 WeakPolarHBondContact O-CA 3.33Å
87F94.2Very high95.8Very high21 Ų2153.8 Ų53.89%0.09226%0.259CS..THydrogen-bonded Turntrans-83.7-6.8179.953.5-99.6000114.5P58 F85 H255 I259P58-F87 HydrophobicContact CB-CB 4.31Å; P58-F87 HydrophobicContact CB-CD1 3.99Å; P58-F87 HydrophobicContact CB-CD2 3.59Å; P58-F87 HydrophobicContact CB-CE1 4.18Å; P58-F87 HydrophobicContact CB-CE2 3.77Å; P58-F87 HydrophobicContact CB-CG 3.69Å; P58-F87 HydrophobicContact CB-CZ 4.06Å; P58-F87 WeakPolarHBondContact O-CE2 3.46Å; F85-F87 HydrophobicContact CB-CE1 4.06Å; F85-F87 HydrophobicContact CB-CE2 4.45Å; F85-F87 HydrophobicContact CB-CZ 3.95Å; F85-F87 HydrophobicContact CD1-CE1 4.1Å; F85-F87 AromaticContact CD1-CZ 3.89Å; F85-F87 HydrophobicContact CD1-CZ 3.89Å; F85-F87 HydrophobicContact CG-CZ 4.33Å; F85-F87 PolarHBondContact O-N 3.26Å; F85-F87 VanDerWaalsContact O-N 3.08Å; F87-H255 HydrophobicContact CB-CB 3.89Å; F87-H255 VanDerWaalsContact CB-ND1 3.26Å; F87-H255 WeakPolarHBondContact CB-ND1 2.84Å; F87-H255 HydrophobicContact CD1-CB 4.32Å; F87-H255 HydrophobicContact CG-CB 4.45Å; F87-I259 HydrophobicContact CE1-CD1 3.68Å; F87-I259 HydrophobicContact CE1-CG1 4.11Å; F87-I259 HydrophobicContact CZ-CD1 3.9Å; F87-I259 HydrophobicContact CZ-CG1 4.46Å
88Y96.9Very high95.8Very high13 Ų1353.7 Ų53.75%0.05126%0.258CS..  trans-83.9139.4171-64.4-62.2000110.8A61 Y62 T63 F81 F85 L101A61-Y88 PolarHBondContact O-OH 3.16Å; Y62-Y88 VanDerWaalsContact CA-OH 3.29Å; Y62-Y88 WeakPolarHBondContact CA-OH 3.15Å; Y62-Y88 HydrophobicContact CD1-CD1 4.23Å; Y62-Y88 AromaticContact CD1-CE1 3.76Å; Y62-Y88 HydrophobicContact CD1-CE1 3.76Å; Y62-Y88 HydrophobicContact CE1-CE1 4.39Å; T63-Y88 PolarHBondContact N-OH 3.19Å; F81-Y88 AromaticContact CE1-CD2 3.42Å; F81-Y88 HydrophobicContact CE1-CD2 3.42Å; F81-Y88 VanDerWaalsContact CE1-CD2 3.42Å; F81-Y88 AromaticContact CE1-CE2 3.81Å; F81-Y88 HydrophobicContact CE1-CE2 3.81Å; F81-Y88 HydrophobicContact CE1-CG 4.27Å; F81-Y88 AromaticContact CZ-CD2 3.7Å; F81-Y88 HydrophobicContact CZ-CD2 3.7Å; F81-Y88 AromaticContact CZ-CE2 3.56Å; F81-Y88 HydrophobicContact CZ-CE2 3.56Å; F85-Y88 HydrophobicContact CB-CD2 3.46Å; F85-Y88 VanDerWaalsContact CB-CD2 3.46Å; F85-Y88 HydrophobicContact CB-CE2 3.44Å; F85-Y88 VanDerWaalsContact CB-CE2 3.44Å; F85-Y88 HydrophobicContact CD2-CE2 4.33Å; F85-Y88 HydrophobicContact CG-CD2 4.37Å; F85-Y88 AromaticContact CG-CE2 3.9Å; F85-Y88 HydrophobicContact CG-CE2 3.9Å; F85-Y88 PolarHBondContact O-N 3.05Å; Y88-L101 HydrophobicContact CD1-CD2 4.41Å
89E96.4Very high95.8Very high117 Ų11753.8 Ų53.855%0.54726%0.259SS..  trans-100.4120.4167.7-171179.4169.200108.7K102E89-K102 HydrophobicContact CB-CB 4.22Å; E89-K102 HydrophobicContact CG-CB 4.38Å; E89-K102 HydrophobicContact CG-CD 3.88Å; E89-K102 HydrophobicContact CG-CG 4.2Å; E89-K102 PolarHBondContact O-N 3.46Å; E89-K102 WeakPolarHBondContact OE1-CD 3.48Å; E89-K102 VanDerWaalsContact OE1-CE 3.3Å; E89-K102 WeakPolarHBondContact OE1-CE 3.33Å; E89-K102 IonicContact OE1-NZ 3.07Å; E89-K102 PolarHBondContact OE1-NZ 2.88Å
90L96.9Very high95.9Very high23 Ų2349.1 Ų49.112%0.1224%0.238CC..EExtended strand (participates in β ladder)trans-107.8141.3-179.2-55.8-175.4000110.4F73 V78 F81 L82 I99 V100 L101F73-L90 HydrophobicContact CE2-CB 3.81Å; V78-L90 HydrophobicContact CG1-CD1 3.66Å; F81-L90 HydrophobicContact CD1-CD1 4.38Å; L82-L90 HydrophobicContact CD1-CD1 3.96Å; L82-L90 HydrophobicContact CD2-CD1 3.7Å; L82-L90 HydrophobicContact CD2-CG 3.85Å; L82-L90 HydrophobicContact CG-CD1 3.69Å; L82-L90 HydrophobicContact CG-CG 4.35Å; L90-I99 HydrophobicContact CB-CG2 4.21Å; L90-I99 HydrophobicContact CD1-CG2 3.99Å; L90-I99 HydrophobicContact CD2-CG2 3.81Å; L90-I99 HydrophobicContact CG-CG2 4.22Å; L90-V100 CarbonylContact C-O 3.56Å; L90-V100 WeakPolarHBondContact CA-O 3.38Å; L90-L101 HydrophobicContact CD2-CB 4.3Å; L90-L101 HydrophobicContact CD2-CD2 4.22Å; L90-L101 HydrophobicContact CD2-CG 3.67Å
91A97.1Very high95.9Very high28 Ų2847.3 Ų47.323%0.23123%0.229CC..EExtended strand (participates in β ladder)trans-120.5160.8169.300000110.7F73 V100 K102F73-A91 WeakPolarHBondContact CD2-O 3.3Å; F73-A91 VanDerWaalsContact CE2-C 3.48Å; A91-V100 HydrophobicContact CB-CB 4.27Å; A91-V100 PolarHBondContact N-O 3.33Å; A91-V100 PolarHBondContact O-N 3.17Å; A91-K102 HydrophobicContact CB-CG 4.27Å
92Q97.3Very high95.8Very high114 Ų11451.9 Ų51.953%0.53325%0.249SC..EExtended strand (participates in β ladder)trans-90.8129.4172.9-178.7172.7-20.100109.5F73 E94 T98F73-Q92 HydrophobicContact CB-CB 3.83Å; F73-Q92 HydrophobicContact CB-CG 3.78Å; F73-Q92 HydrophobicContact CD1-CB 4.11Å; F73-Q92 HydrophobicContact CD2-CB 3.99Å; F73-Q92 HydrophobicContact CG-CB 3.71Å; F73-Q92 HydrophobicContact CG-CG 4.22Å; Q92-E94 PolarHBondContact O-N 2.78Å; Q92-T98 WeakPolarHBondContact CA-O 3.28Å
93D95.3Very high95.5Very high23 Ų2351 Ų5112%0.12325%0.247CC..  trans-65.4124168.6-175.8-83.9000109.7K95 R96 G97 T98 V100 H111D93-K95 VanDerWaalsContact C-N 3.3Å; D93-K95 PolarHBondContact O-N 3.35Å; D93-K95 PolarHBondContact OD1-N 3.39Å; D93-R96 HydrophobicContact CB-CB 4.49Å; D93-R96 WeakPolarHBondContact OD1-CB 3.37Å; D93-R96 PolarHBondContact OD1-N 2.96Å; D93-G97 WeakPolarHBondContact O-CA 3.33Å; D93-G97 PolarHBondContact O-N 3.41Å; D93-T98 WeakPolarHBondContact CB-OG1 3.36Å; D93-T98 PolarHBondContact N-O 3.13Å; D93-V100 HydrophobicContact CB-CG2 4Å; D93-H111 IonicContact OD2-CD2 3.26Å; D93-H111 IonicContact OD2-CE1 3.84Å; D93-H111 IonicContact OD2-NE2 3.6Å; D93-H111 PolarHBondContact OD2-NE2 2.94Å
94E92.2Very high95.2Very high193 Ų19354.7 Ų54.790%0.90227%0.266SS*.THydrogen-bonded Turntrans-65.5-31.7-174-63.5-173.9165.800113.2Q92Q92-E94 PolarHBondContact O-N 2.78Å
95K91.3Very high94.6Very high172 Ų17257.2 Ų57.275%0.74828%0.278SS*.THydrogen-bonded Turntrans-88.9-42.7-174.8-66.9-177179.51780112.2D93D93-K95 VanDerWaalsContact C-N 3.3Å; D93-K95 PolarHBondContact O-N 3.35Å; D93-K95 PolarHBondContact OD1-N 3.39Å
96R93.5Very high94Very high24 Ų2458.4 Ų58.49%0.09128%0.283CS..THydrogen-bonded Turntrans-101.3-17.6-173.1-60.9175.965.1-147.4-5.6112.8D93 T98 E113 I612 A613D93-R96 HydrophobicContact CB-CB 4.49Å; D93-R96 WeakPolarHBondContact OD1-CB 3.37Å; D93-R96 PolarHBondContact OD1-N 2.96Å; R96-T98 HydrophobicContact CB-CG2 3.94Å; R96-T98 PolarHBondContact O-N 2.88Å; R96-E113 IonicContact CZ-OE1 3.41Å; R96-E113 VanDerWaalsContact CZ-OE1 3.28Å; R96-E113 IonicContact NH1-OE1 2.95Å; R96-E113 PolarHBondContact NH1-OE1 3.46Å; R96-E113 IonicContact NH2-OE1 2.74Å; R96-E113 PolarHBondContact NH2-OE1 2.96Å; R96-I612 HydrophobicContact CB-CG2 4.38Å; R96-A613 HydrophobicContact CG-CB 4.35Å; R96-A613 PolarHBondContact NE-O 3.04Å
97G95.2Very high93.6Very high11 Ų1164.4 Ų64.411%0.11331%0.305CS..  trans68.513.4-174.100000114K72 F73 D93K72-G97 CarbonylContact C-O 3.49Å; K72-G97 VanDerWaalsContact CA-O 3.27Å; K72-G97 WeakPolarHBondContact CA-O 3.47Å; F73-G97 PolarHBondContact N-O 2.97Å; D93-G97 WeakPolarHBondContact O-CA 3.33Å; D93-G97 PolarHBondContact O-N 3.41Å
98T96.8Very high93.3Very high3 Ų370.5 Ų70.52%0.01833%0.334CS..BIsolated β-bridgetrans-84.3-176.4-179.153.40000111.8K71 Q92 D93 R96 I612K71-T98 WeakPolarHBondContact O-CA 3.43Å; Q92-T98 WeakPolarHBondContact CA-O 3.28Å; D93-T98 WeakPolarHBondContact CB-OG1 3.36Å; D93-T98 PolarHBondContact N-O 3.13Å; R96-T98 HydrophobicContact CB-CG2 3.94Å; R96-T98 PolarHBondContact O-N 2.88Å; T98-I612 HydrophobicContact CG2-CD1 3.82Å; T98-I612 HydrophobicContact CG2-CG1 4.33Å; T98-I612 HydrophobicContact CG2-CG2 3.68Å
99I97.6Very high93Very high1 Ų170 Ų701%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-88.6136.7-179.2-5596.1000110.6L68 K71 V78 L90 L101 P112L68-I99 HydrophobicContact CB-CD1 4.49Å; L68-I99 HydrophobicContact CD1-CG2 4.36Å; K71-I99 HydrophobicContact CB-CD1 3.76Å; K71-I99 WeakPolarHBondContact O-CD1 3.26Å; V78-I99 HydrophobicContact CG1-CG1 4.11Å; V78-I99 HydrophobicContact CG2-CD1 3.63Å; V78-I99 HydrophobicContact CG2-CG1 3.78Å; L90-I99 HydrophobicContact CB-CG2 4.21Å; L90-I99 HydrophobicContact CD1-CG2 3.99Å; L90-I99 HydrophobicContact CD2-CG2 3.81Å; L90-I99 HydrophobicContact CG-CG2 4.22Å; I99-L101 HydrophobicContact CG2-CD1 4.38Å; I99-P112 HydrophobicContact CB-CG 4.42Å; I99-P112 WeakPolarHBondContact O-CD 3.24Å
100V97Very high92.9Very high11 Ų1164.5 Ų64.57%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-118.4126.3165.7178.70000107.7L90 A91 D93 E108L90-V100 CarbonylContact C-O 3.56Å; L90-V100 WeakPolarHBondContact CA-O 3.38Å; A91-V100 HydrophobicContact CB-CB 4.27Å; A91-V100 PolarHBondContact N-O 3.33Å; A91-V100 PolarHBondContact O-N 3.17Å; D93-V100 HydrophobicContact CB-CG2 4Å; V100-E108 WeakPolarHBondContact CG1-O 3.39Å
101L96.7Very high92.9Very high1 Ų164 Ų641%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-88.5112.4173.1-63.488.4000108Y62 L68 Y88 L90 I99 G109 Y110 P112 L115Y62-L101 HydrophobicContact CD1-CB 4.25Å; Y62-L101 HydrophobicContact CD1-CD2 3.6Å; Y62-L101 HydrophobicContact CE1-CB 3.95Å; Y62-L101 HydrophobicContact CE1-CD2 4.15Å; L68-L101 HydrophobicContact CD1-CD1 4.23Å; L68-L101 HydrophobicContact CD1-CD2 4.38Å; Y88-L101 HydrophobicContact CD1-CD2 4.41Å; L90-L101 HydrophobicContact CD2-CB 4.3Å; L90-L101 HydrophobicContact CD2-CD2 4.22Å; L90-L101 HydrophobicContact CD2-CG 3.67Å; I99-L101 HydrophobicContact CG2-CD1 4.38Å; L101-G109 CarbonylContact O-C 3.56Å; L101-G109 VanDerWaalsContact O-CA 3.22Å; L101-G109 WeakPolarHBondContact O-CA 3.28Å; L101-Y110 VanDerWaalsContact CD1-O 3.26Å; L101-Y110 WeakPolarHBondContact CD1-O 3.42Å; L101-Y110 PolarHBondContact N-O 2.79Å; L101-Y110 PolarHBondContact O-N 2.92Å; L101-P112 HydrophobicContact CD1-CG 4.04Å; L101-L115 HydrophobicContact CD1-CD1 3.83Å; L101-L115 HydrophobicContact CD2-CD1 4.01Å; L101-L115 HydrophobicContact CG-CD1 4.37Å
102K95.3Very high92.9Very high97 Ų9762.7 Ų62.742%0.42229%0.293SS..  trans-65.1145.5-179.1-61.8-159.5-165.7168.60110.6E89 A91E89-K102 HydrophobicContact CB-CB 4.22Å; E89-K102 HydrophobicContact CG-CB 4.38Å; E89-K102 HydrophobicContact CG-CD 3.88Å; E89-K102 HydrophobicContact CG-CG 4.2Å; E89-K102 PolarHBondContact O-N 3.46Å; E89-K102 WeakPolarHBondContact OE1-CD 3.48Å; E89-K102 VanDerWaalsContact OE1-CE 3.3Å; E89-K102 WeakPolarHBondContact OE1-CE 3.33Å; E89-K102 IonicContact OE1-NZ 3.07Å; E89-K102 PolarHBondContact OE1-NZ 2.88Å; A91-K102 HydrophobicContact CB-CG 4.27Å
103S91.3Very high92.9Very high26 Ų2657.4 Ų57.418%0.18227%0.269CS..  trans-133.9151.1179.5-165.90000111.4Y62 E105 E106Y62-S103 WeakPolarHBondContact OH-CB 3.44Å; Y62-S103 PolarHBondContact OH-OG 3.25Å; Y62-S103 VanDerWaalsContact OH-OG 3.08Å; S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 PolarHBondContact OG-N 2.91Å; S103-E106 VanDerWaalsContact O-O 3.07Å
104K88.3Confident92.9Very high191 Ų19156.9 Ų56.983%0.8327%0.265SS*.SBendtrans-78-20.2167.6-64.8-174.2178.1-175.90112.4
105E84.4Confident93Very high57 Ų5747.7 Ų47.727%0.26622%0.223SC..SBendtrans-88.6-19.6-178.2-58.4-68.514900112.2I39 K40 D41 K42 S103I39-E105 HydrophobicContact CG2-CB 4.11Å; I39-E105 HydrophobicContact CG2-CG 4.01Å; K40-E105 WeakPolarHBondContact CA-OE1 3.45Å; D41-E105 VanDerWaalsContact N-CD 3.28Å; D41-E105 PolarHBondContact N-OE1 2.99Å; D41-E105 PolarHBondContact N-OE2 2.65Å; K42-E105 PolarHBondContact N-OE2 3.46Å; S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 PolarHBondContact OG-N 2.91Å
106E84.8Confident93.3Very high26 Ų2639.5 Ų39.512%0.12119%0.187CC..  trans-143.1115.2-176.1-175.963.1-148.700109.9S103 E108 G109 Y110 R631S103-E106 VanDerWaalsContact O-O 3.07Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-E108 PolarHBondContact O-N 3.27Å; E106-G109 WeakPolarHBondContact CG-O 3.48Å; E106-G109 PolarHBondContact O-N 3.41Å; E106-Y110 HydrophobicContact CB-CE1 4.36Å; E106-Y110 HydrophobicContact CB-CE2 3.81Å; E106-R631 VanDerWaalsContact CD-NH2 3.28Å; E106-R631 IonicContact OE1-CZ 2.85Å; E106-R631 IonicContact OE1-NH1 3.98Å; E106-R631 PolarHBondContact OE1-NH1 2.88Å; E106-R631 VanDerWaalsContact OE1-NH1 3.12Å; E106-R631 IonicContact OE1-NH2 3.97Å; E106-R631 PolarHBondContact OE1-NH2 3.39Å; E106-R631 IonicContact OE2-CZ 3.96Å; E106-R631 IonicContact OE2-NE 3.69Å; E106-R631 PolarHBondContact OE2-NE 2.97Å; E106-R631 IonicContact OE2-NH1 3.25Å; E106-R631 PolarHBondContact OE2-NH1 3.49Å; E106-R631 IonicContact OE2-NH2 3.4Å; E106-R631 PolarHBondContact OE2-NH2 2.88Å
107E86.4Confident93.5Very high200 Ų20038.4 Ų38.494%0.93518%0.183SC*.THydrogen-bonded Turntrans-60.5-40.3-176.9-173.5175.2-176.600112.2G109E107-G109 PolarHBondContact O-N 2.86Å
108E87.9Confident93.4Very high149 Ų14938.1 Ų38.170%0.69618%0.178SC*.THydrogen-bonded Turntrans-73.3-9.7176.4-63.7-175.2173.300113.3V100 E106V100-E108 WeakPolarHBondContact CG1-O 3.39Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-E108 PolarHBondContact O-N 3.27Å
109G92.1Very high93.4Very high3 Ų338.1 Ų38.13%0.03118%0.178CC..  trans69.7-166.6-172.700000113.8L101 E106 E107L101-G109 CarbonylContact O-C 3.56Å; L101-G109 VanDerWaalsContact O-CA 3.22Å; L101-G109 WeakPolarHBondContact O-CA 3.28Å; E106-G109 WeakPolarHBondContact CG-O 3.48Å; E106-G109 PolarHBondContact O-N 3.41Å; E107-G109 PolarHBondContact O-N 2.86Å
110Y94Very high93.4Very high2 Ų238 Ų381%0.00818%0.178CC..BIsolated β-bridgetrans-125.4132.3-179.4-64-77.6000111.7I39 Y62 L101 E106 L115 M118I39-Y110 HydrophobicContact CD1-CD1 4.42Å; I39-Y110 HydrophobicContact CD1-CD2 4.14Å; I39-Y110 HydrophobicContact CD1-CE1 3.86Å; I39-Y110 HydrophobicContact CD1-CE2 3.55Å; Y62-Y110 HydrophobicContact CE2-CD2 4.2Å; Y62-Y110 AromaticContact CZ-CD2 3.94Å; Y62-Y110 WeakPolarHBondContact OH-CD2 3.34Å; L101-Y110 VanDerWaalsContact CD1-O 3.26Å; L101-Y110 WeakPolarHBondContact CD1-O 3.42Å; L101-Y110 PolarHBondContact N-O 2.79Å; L101-Y110 PolarHBondContact O-N 2.92Å; E106-Y110 HydrophobicContact CB-CE1 4.36Å; E106-Y110 HydrophobicContact CB-CE2 3.81Å; Y110-L115 HydrophobicContact CD1-CD2 4.44Å; Y110-L115 HydrophobicContact CD2-CD2 4.48Å; Y110-L115 HydrophobicContact CG-CD2 3.99Å; Y110-M118 HydrophobicContact CD1-CE 3.95Å; Y110-M118 HydrophobicContact CE1-CE 3.74Å
111H95.8Very high93.2Very high11 Ų1139.9 Ų39.95%0.05118%0.184CC..  trans-79.3150.1169.6-61.371.7000110.6D93 E113 Q114 L115 W619D93-H111 IonicContact OD2-CD2 3.26Å; D93-H111 IonicContact OD2-CE1 3.84Å; D93-H111 IonicContact OD2-NE2 3.6Å; D93-H111 PolarHBondContact OD2-NE2 2.94Å; H111-E113 PolarHBondContact O-N 2.88Å; H111-E113 VanDerWaalsContact O-N 3.15Å; H111-Q114 HydrophobicContact CB-CG 4.4Å; H111-Q114 VanDerWaalsContact N-OE1 3.11Å; H111-Q114 WeakPolarHBondContact O-CB 3.35Å; H111-Q114 PolarHBondContact O-N 3.28Å; H111-L115 PolarHBondContact O-N 2.84Å; H111-L115 VanDerWaalsContact O-N 3.16Å; H111-W619 HydrophobicContact CB-CZ2 4Å; H111-W619 AromaticContact CE1-NE1 3.53Å; H111-W619 AromaticContact CG-CZ2 3.63Å; H111-W619 AromaticContact ND1-CZ2 3.63Å; H111-W619 AromaticContact ND1-NE1 3.89Å; H111-W619 AromaticContact NE2-NE1 3.91Å
112P97.2Very high93Very high2 Ų239.9 Ų39.91%0.01318%0.184CC..Hα-helixtrans-51-37.5173.8-2834.8000113.5L68 L69 I99 L101 Q114 L115 L116L68-P112 HydrophobicContact CB-CB 4.17Å; L68-P112 HydrophobicContact CB-CG 3.7Å; L68-P112 HydrophobicContact CD1-CG 4.42Å; L69-P112 HydrophobicContact CD1-CB 4.3Å; I99-P112 HydrophobicContact CB-CG 4.42Å; I99-P112 WeakPolarHBondContact O-CD 3.24Å; L101-P112 HydrophobicContact CD1-CG 4.04Å; P112-Q114 VanDerWaalsContact C-N 3.32Å; P112-Q114 PolarHBondContact O-N 3.43Å; P112-L115 PolarHBondContact O-N 2.98Å; P112-L116 WeakPolarHBondContact O-CB 3.39Å; P112-L116 WeakPolarHBondContact O-CG 3.33Å; P112-L116 PolarHBondContact O-N 3.38Å
113E97.1Very high93.1Very high3 Ų335.3 Ų35.31%0.01416%0.164CC..Hα-helixtrans-60.3-39.3176.2-63.991.8141.500112.4L69 R96 H111 A117 A153 T156 A157 I160 W619L69-E113 HydrophobicContact CD1-CG 3.85Å; R96-E113 IonicContact CZ-OE1 3.41Å; R96-E113 VanDerWaalsContact CZ-OE1 3.28Å; R96-E113 IonicContact NH1-OE1 2.95Å; R96-E113 PolarHBondContact NH1-OE1 3.46Å; R96-E113 IonicContact NH2-OE1 2.74Å; R96-E113 PolarHBondContact NH2-OE1 2.96Å; H111-E113 PolarHBondContact O-N 2.88Å; H111-E113 VanDerWaalsContact O-N 3.15Å; E113-A117 WeakPolarHBondContact O-CB 3.46Å; E113-A117 PolarHBondContact O-N 3.43Å; E113-A153 HydrophobicContact CG-CB 4.07Å; E113-T156 HydrophobicContact CB-CG2 4.26Å; E113-T156 HydrophobicContact CG-CG2 4.15Å; E113-A157 HydrophobicContact CB-CB 4.45Å; E113-A157 WeakPolarHBondContact O-CB 3.1Å; E113-I160 HydrophobicContact CB-CD1 4.28Å; E113-W619 HydrophobicContact CB-CH2 4.42Å
114Q95.3Very high93.3Very high11 Ų1136.4 Ų36.45%0.05116%0.164CC..Hα-helixtrans-71.6-42.9178.9-66.6172.4-25.500111.2H111 P112 A117 M118 I160 W619 S623 V627H111-Q114 HydrophobicContact CB-CG 4.4Å; H111-Q114 VanDerWaalsContact N-OE1 3.11Å; H111-Q114 WeakPolarHBondContact O-CB 3.35Å; H111-Q114 PolarHBondContact O-N 3.28Å; P112-Q114 VanDerWaalsContact C-N 3.32Å; P112-Q114 PolarHBondContact O-N 3.43Å; Q114-A117 WeakPolarHBondContact O-CB 3.39Å; Q114-A117 PolarHBondContact O-N 2.87Å; Q114-M118 WeakPolarHBondContact O-CG 3.47Å; Q114-M118 PolarHBondContact O-N 3.42Å; Q114-I160 HydrophobicContact CG-CD1 4.42Å; Q114-W619 HydrophobicContact CG-CH2 4.32Å; Q114-W619 HydrophobicContact CG-CZ2 4.31Å; Q114-S623 PolarHBondContact NE2-OG 2.95Å; Q114-V627 HydrophobicContact CB-CG2 4.3Å
115L95.8Very high93.4Very high1 Ų129.5 Ų29.51%0.00514%0.138CC..Hα-helixtrans-64.2-43.5178-64173000111.6V37 I39 Y62 L101 Y110 H111 P112 A117 M118 I119V37-L115 HydrophobicContact CG1-CB 4.29Å; V37-L115 HydrophobicContact CG1-CD2 3.9Å; I39-L115 HydrophobicContact CD1-CD2 4.49Å; Y62-L115 HydrophobicContact CD1-CD1 3.94Å; Y62-L115 HydrophobicContact CD2-CD1 4.36Å; Y62-L115 HydrophobicContact CD2-CD2 3.59Å; Y62-L115 HydrophobicContact CE2-CD2 4.02Å; Y62-L115 HydrophobicContact CG-CD1 3.77Å; Y62-L115 HydrophobicContact CG-CD2 3.87Å; Y62-L115 HydrophobicContact CG-CG 4.47Å; L101-L115 HydrophobicContact CD1-CD1 3.83Å; L101-L115 HydrophobicContact CD2-CD1 4.01Å; L101-L115 HydrophobicContact CG-CD1 4.37Å; Y110-L115 HydrophobicContact CD1-CD2 4.44Å; Y110-L115 HydrophobicContact CD2-CD2 4.48Å; Y110-L115 HydrophobicContact CG-CD2 3.99Å; H111-L115 PolarHBondContact O-N 2.84Å; H111-L115 VanDerWaalsContact O-N 3.16Å; P112-L115 PolarHBondContact O-N 2.98Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-M118 HydrophobicContact CD2-SD 4.42Å; L115-M118 WeakPolarHBondContact O-CB 3.27Å; L115-M118 PolarHBondContact O-N 3.41Å; L115-I119 PolarHBondContact O-N 3.22Å
116L97.2Very high93.9Very high0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-67.8-34.3174.3-66.6-179000111.8L5 C65 V66 L69 P112 M118 I119 I120 M154 A157L5-L116 HydrophobicContact CD2-CD2 4.45Å; C65-L116 HydrophobicContact CB-CD2 4.26Å; V66-L116 HydrophobicContact CG2-CD1 4.32Å; V66-L116 HydrophobicContact CG2-CD2 3.75Å; L69-L116 HydrophobicContact CB-CD1 4.46Å; L69-L116 HydrophobicContact CD1-CD1 3.82Å; L69-L116 HydrophobicContact CD2-CD1 3.91Å; L69-L116 HydrophobicContact CG-CD1 4.28Å; P112-L116 WeakPolarHBondContact O-CB 3.39Å; P112-L116 WeakPolarHBondContact O-CG 3.33Å; P112-L116 PolarHBondContact O-N 3.38Å; L116-M118 VanDerWaalsContact C-N 3.3Å; L116-M118 PolarHBondContact O-N 3.32Å; L116-I119 HydrophobicContact CD2-CD1 4.39Å; L116-I119 PolarHBondContact O-N 3.46Å; L116-I119 VanDerWaalsContact O-N 3.17Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.4Å; L116-I120 PolarHBondContact O-N 2.84Å; L116-M154 HydrophobicContact CD1-CE 4.11Å; L116-A157 HydrophobicContact CB-CB 4.09Å
117A96.5Very high94.4Very high0 Ų026.1 Ų26.10%012%0.122CC..Hα-helixtrans-61.9-38.5173.900000112.4E113 Q114 L115 I119 I120 R121 A157 I160 A161 V627E113-A117 WeakPolarHBondContact O-CB 3.46Å; E113-A117 PolarHBondContact O-N 3.43Å; Q114-A117 WeakPolarHBondContact O-CB 3.39Å; Q114-A117 PolarHBondContact O-N 2.87Å; L115-A117 VanDerWaalsContact C-N 3.33Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I120 PolarHBondContact O-N 2.97Å; A117-R121 WeakPolarHBondContact O-CB 3.36Å; A117-R121 PolarHBondContact O-N 2.82Å; A117-A157 VanDerWaalsContact CB-O 3.22Å; A117-A157 WeakPolarHBondContact CB-O 3.49Å; A117-I160 HydrophobicContact CB-CB 3.6Å; A117-I160 HydrophobicContact CB-CG2 3.47Å; A117-I160 VanDerWaalsContact CB-CG2 3.47Å; A117-A161 HydrophobicContact CB-CB 4.14Å; A117-A161 WeakPolarHBondContact O-CB 3.37Å; A117-V627 HydrophobicContact CB-CG1 4.36Å
118M94.4Very high94.8Very high5 Ų518.6 Ų18.63%0.0259%0.087CC..Hα-helixtrans-61.2-42173.2-66.6172.2-171.200111.5V37 I39 L44 Y46 Y110 Q114 L115 L116 R121 E122 V627V37-M118 HydrophobicContact CG2-CB 4.36Å; V37-M118 HydrophobicContact CG2-SD 4.09Å; I39-M118 HydrophobicContact CD1-CE 4.14Å; I39-M118 HydrophobicContact CD1-SD 4.04Å; L44-M118 HydrophobicContact CD2-SD 3.84Å; Y46-M118 HydrophobicContact CE1-CB 4.04Å; Y46-M118 WeakPolarHBondContact CE1-O 3.29Å; Y110-M118 HydrophobicContact CD1-CE 3.95Å; Y110-M118 HydrophobicContact CE1-CE 3.74Å; Q114-M118 WeakPolarHBondContact O-CG 3.47Å; Q114-M118 PolarHBondContact O-N 3.42Å; L115-M118 HydrophobicContact CD2-SD 4.42Å; L115-M118 WeakPolarHBondContact O-CB 3.27Å; L115-M118 PolarHBondContact O-N 3.41Å; L116-M118 VanDerWaalsContact C-N 3.3Å; L116-M118 PolarHBondContact O-N 3.32Å; M118-R121 PolarHBondContact O-N 2.83Å; M118-E122 PolarHBondContact O-N 3.2Å; M118-V627 HydrophobicContact CE-CG2 4.22Å; M118-V627 HydrophobicContact CG-CG1 4.27Å; M118-V627 HydrophobicContact CG-CG2 4.38Å
119I96Very high95.1Very high3 Ų315.3 Ų15.32%0.0159%0.085CC..Hα-helixtrans-68.4-44.5177.5-65173.3000111.5L5 F10 T35 V37 L115 L116 A117 R121 E122 A123L5-I119 HydrophobicContact CD1-CG2 3.93Å; F10-I119 HydrophobicContact CD1-CG2 3.81Å; F10-I119 HydrophobicContact CE1-CG2 3.89Å; F10-I119 HydrophobicContact CG-CG2 4.48Å; T35-I119 HydrophobicContact CG2-CD1 3.75Å; T35-I119 HydrophobicContact CG2-CG2 4.43Å; V37-I119 HydrophobicContact CB-CG1 4.38Å; L115-I119 PolarHBondContact O-N 3.22Å; L116-I119 HydrophobicContact CD2-CD1 4.39Å; L116-I119 PolarHBondContact O-N 3.46Å; L116-I119 VanDerWaalsContact O-N 3.17Å; A117-I119 VanDerWaalsContact C-N 3.34Å; I119-R121 VanDerWaalsContact C-N 3.26Å; I119-R121 PolarHBondContact O-N 3.22Å; I119-E122 PolarHBondContact O-N 3.46Å; I119-A123 PolarHBondContact O-N 2.96Å
120I97Very high95.1Very high0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-62.5-37177.5-66.7161.4000110.5L5 L116 A117 A123 R124 I140 M154 A157 A161 V163L5-I120 HydrophobicContact CD2-CD1 4.49Å; L5-I120 HydrophobicContact CD2-CG1 4.4Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.4Å; L116-I120 PolarHBondContact O-N 2.84Å; A117-I120 PolarHBondContact O-N 2.97Å; I120-A123 WeakPolarHBondContact O-CB 3.47Å; I120-A123 PolarHBondContact O-N 3.32Å; I120-R124 PolarHBondContact O-N 3.12Å; I120-I140 HydrophobicContact CD1-CD1 3.88Å; I120-I140 HydrophobicContact CG1-CD1 4.25Å; I120-I140 HydrophobicContact CG2-CD1 4.15Å; I120-M154 HydrophobicContact CD1-SD 4.14Å; I120-A157 HydrophobicContact CD1-CB 4.04Å; I120-A161 HydrophobicContact CB-CB 3.75Å; I120-A161 HydrophobicContact CG2-CB 3.58Å; I120-V163 HydrophobicContact CG2-CG1 4.38Å; I120-V163 HydrophobicContact CG2-CG2 3.75Å
121R93.7Very high95.1Very high50 Ų5018.5 Ų18.519%0.18910%0.102CC..Hα-helixtrans-65-45.9173-176.1-173.7169.7-98.34.8111.6A117 M118 I119 A123 R124 V125 E636A117-R121 WeakPolarHBondContact O-CB 3.36Å; A117-R121 PolarHBondContact O-N 2.82Å; M118-R121 PolarHBondContact O-N 2.83Å; I119-R121 VanDerWaalsContact C-N 3.26Å; I119-R121 PolarHBondContact O-N 3.22Å; R121-A123 PolarHBondContact O-N 3.48Å; R121-R124 WeakPolarHBondContact O-CA 3.45Å; R121-R124 WeakPolarHBondContact O-CB 3.46Å; R121-R124 PolarHBondContact O-N 3.32Å; R121-V125 WeakPolarHBondContact O-CG2 3.25Å; R121-V125 PolarHBondContact O-N 2.94Å; R121-E636 IonicContact CZ-OE2 2.66Å; R121-E636 IonicContact NH1-OE2 3.41Å; R121-E636 PolarHBondContact NH1-OE2 3.21Å; R121-E636 IonicContact NH2-OE2 3.78Å; R121-E636 PolarHBondContact NH2-OE2 3.45Å
122E93.2Very high95Very high1 Ų121.5 Ų21.51%0.00514%0.136CC..Hα-helixtrans-60.9-37.6176.4-172.270.4177.800110.9Y46 M118 I119 R124 V125 H126 R639Y46-E122 HydrophobicContact CD1-CB 3.96Å; Y46-E122 HydrophobicContact CD1-CG 4.11Å; Y46-E122 HydrophobicContact CD2-CB 4.26Å; Y46-E122 VanDerWaalsContact CD2-CD 3.48Å; Y46-E122 HydrophobicContact CD2-CG 3.88Å; Y46-E122 WeakPolarHBondContact CD2-OE2 3.42Å; Y46-E122 HydrophobicContact CE1-CB 4.05Å; Y46-E122 HydrophobicContact CE2-CB 4.36Å; Y46-E122 HydrophobicContact CE2-CG 4.4Å; Y46-E122 HydrophobicContact CG-CB 4.05Å; Y46-E122 HydrophobicContact CG-CG 3.71Å; M118-E122 PolarHBondContact O-N 3.2Å; I119-E122 PolarHBondContact O-N 3.46Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R124 PolarHBondContact O-N 3.48Å; E122-V125 WeakPolarHBondContact O-CB 3.32Å; E122-V125 PolarHBondContact O-N 3.3Å; E122-V125 VanDerWaalsContact O-N 3.13Å; E122-H126 PolarHBondContact O-N 3.49Å; E122-H126 IonicContact OE1-CE1 2.69Å; E122-H126 PolarHBondContact OE1-CE1 2.98Å; E122-H126 IonicContact OE1-ND1 2.93Å; E122-H126 IonicContact OE1-NE2 3.8Å; E122-R639 IonicContact OE1-CZ 3.41Å; E122-R639 IonicContact OE1-NH1 3.8Å; E122-R639 PolarHBondContact OE1-NH1 2.97Å; E122-R639 IonicContact OE1-NH2 3.87Å; E122-R639 PolarHBondContact OE1-NH2 3.31Å; E122-R639 IonicContact OE2-NH1 3.93Å; E122-R639 PolarHBondContact OE2-NH1 2.85Å
123A96.6Very high94.8Very high0 Ų025.8 Ų25.80%016%0.156CC..Hα-helixtrans-60.4-40.6173.200000112.4V3 F10 I12 I119 I120 R121 A127V3-A123 HydrophobicContact CG1-CB 4.22Å; V3-A123 HydrophobicContact CG2-CB 4.02Å; F10-A123 HydrophobicContact CD2-CB 3.99Å; F10-A123 HydrophobicContact CE2-CB 3.63Å; F10-A123 HydrophobicContact CZ-CB 4.36Å; I12-A123 HydrophobicContact CD1-CB 4.13Å; I12-A123 VanDerWaalsContact CD1-O 3.24Å; I12-A123 WeakPolarHBondContact CD1-O 3.34Å; I12-A123 HydrophobicContact CG1-CB 4.08Å; I119-A123 PolarHBondContact O-N 2.96Å; I120-A123 WeakPolarHBondContact O-CB 3.47Å; I120-A123 PolarHBondContact O-N 3.32Å; R121-A123 PolarHBondContact O-N 3.48Å; A123-A127 WeakPolarHBondContact O-CB 3.35Å; A123-A127 PolarHBondContact O-N 2.94Å
124R94.7Very high94.6Very high50 Ų5032.9 Ų32.919%0.18919%0.189CC..Hα-helixtrans-62.8-44.7171.8-178177.5162.3179.6-2.9111.7M1 I120 R121 E122 H126 A127 E128 G162 V163M1-R124 HydrophobicContact CE-CB 3.74Å; M1-R124 HydrophobicContact CE-CG 4.21Å; M1-R124 HydrophobicContact SD-CB 4.35Å; I120-R124 PolarHBondContact O-N 3.12Å; R121-R124 WeakPolarHBondContact O-CA 3.45Å; R121-R124 WeakPolarHBondContact O-CB 3.46Å; R121-R124 PolarHBondContact O-N 3.32Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R124 PolarHBondContact O-N 3.48Å; R124-H126 VanDerWaalsContact C-N 3.34Å; R124-H126 PolarHBondContact O-N 2.92Å; R124-A127 WeakPolarHBondContact O-CB 3.47Å; R124-A127 PolarHBondContact O-N 3Å; R124-A127 VanDerWaalsContact O-N 3.12Å; R124-E128 HydrophobicContact CG-CG 4.14Å; R124-E128 IonicContact CZ-OE1 3.58Å; R124-E128 VanDerWaalsContact CZ-OE1 3.25Å; R124-E128 IonicContact NE-OE1 2.93Å; R124-E128 PolarHBondContact NE-OE1 3.44Å; R124-E128 IonicContact NE-OE2 3.39Å; R124-E128 IonicContact NH2-OE1 3.8Å; R124-E128 PolarHBondContact NH2-OE1 3.49Å; R124-E128 WeakPolarHBondContact O-CB 2.92Å; R124-E128 WeakPolarHBondContact O-CG 3.41Å; R124-E128 PolarHBondContact O-N 3.39Å; R124-G162 PolarHBondContact NH1-O 2.87Å; R124-V163 HydrophobicContact CB-CG1 4.41Å
125V92.2Very high94.6Very high46 Ų4632.9 Ų32.928%0.27919%0.189SC..Hα-helixtrans-59.4-45.1178.8171.20000110.9R121 E122 E128 A129R121-V125 WeakPolarHBondContact O-CG2 3.25Å; R121-V125 PolarHBondContact O-N 2.94Å; E122-V125 WeakPolarHBondContact O-CB 3.32Å; E122-V125 PolarHBondContact O-N 3.3Å; E122-V125 VanDerWaalsContact O-N 3.13Å; V125-E128 PolarHBondContact O-N 2.91Å; V125-A129 VanDerWaalsContact O-CB 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.39Å; V125-A129 PolarHBondContact O-N 3.25Å
126H93.9Very high94.4Very high12 Ų1235.6 Ų35.66%0.05621%0.207CC..Hα-helixtrans-61.8-42.8173.7-65.7-18.7000112I12 E122 R124 E128 F130I12-H126 HydrophobicContact CD1-CB 3.56Å; E122-H126 PolarHBondContact O-N 3.49Å; E122-H126 IonicContact OE1-CE1 2.69Å; E122-H126 PolarHBondContact OE1-CE1 2.98Å; E122-H126 IonicContact OE1-ND1 2.93Å; E122-H126 IonicContact OE1-NE2 3.8Å; R124-H126 VanDerWaalsContact C-N 3.34Å; R124-H126 PolarHBondContact O-N 2.92Å; H126-E128 PolarHBondContact O-N 3.5Å; H126-F130 VanDerWaalsContact O-CB 3.23Å; H126-F130 WeakPolarHBondContact O-CB 3.42Å; H126-F130 PolarHBondContact O-N 3.24Å
127A95.7Very high94.3Very high0 Ų037.6 Ų37.60%022%0.218CC..Hα-helixtrans-61.6-43.9177.100000112.3M1 I12 L14 A123 R124 A131 V135M1-A127 HydrophobicContact CB-CB 4.33Å; M1-A127 HydrophobicContact SD-CB 3.64Å; I12-A127 HydrophobicContact CG2-CB 3.94Å; L14-A127 HydrophobicContact CD1-CB 4.46Å; A123-A127 WeakPolarHBondContact O-CB 3.35Å; A123-A127 PolarHBondContact O-N 2.94Å; R124-A127 WeakPolarHBondContact O-CB 3.47Å; R124-A127 PolarHBondContact O-N 3Å; R124-A127 VanDerWaalsContact O-N 3.12Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.41Å; A127-V135 HydrophobicContact CB-CB 4.47Å; A127-V135 HydrophobicContact CB-CG2 4.43Å
128E95Very high94.4Very high41 Ų4137.6 Ų37.619%0.19222%0.218CC..Hα-helixtrans-68.9-45.8-179.9-71.6-180154.900111.8R124 V125 H126 F130 A131 G132 Q133 V135R124-E128 HydrophobicContact CG-CG 4.14Å; R124-E128 IonicContact CZ-OE1 3.58Å; R124-E128 VanDerWaalsContact CZ-OE1 3.25Å; R124-E128 IonicContact NE-OE1 2.93Å; R124-E128 PolarHBondContact NE-OE1 3.44Å; R124-E128 IonicContact NE-OE2 3.39Å; R124-E128 IonicContact NH2-OE1 3.8Å; R124-E128 PolarHBondContact NH2-OE1 3.49Å; R124-E128 WeakPolarHBondContact O-CB 2.92Å; R124-E128 WeakPolarHBondContact O-CG 3.41Å; R124-E128 PolarHBondContact O-N 3.39Å; V125-E128 PolarHBondContact O-N 2.91Å; H126-E128 PolarHBondContact O-N 3.5Å; E128-F130 VanDerWaalsContact C-N 3.34Å; E128-F130 PolarHBondContact O-N 3.15Å; E128-A131 PolarHBondContact O-N 2.9Å; E128-G132 PolarHBondContact O-N 2.66Å; E128-Q133 WeakPolarHBondContact CA-O 3.31Å; E128-V135 HydrophobicContact CG-CB 3.98Å; E128-V135 HydrophobicContact CG-CG2 3.98Å; E128-V135 PolarHBondContact OE1-N 3.06Å; E128-V135 VanDerWaalsContact OE1-N 3.11Å
129A92.9Very high94.5Very high80 Ų8037.3 Ų37.366%0.66122%0.217SC*.Hα-helixtrans-59.6-45.1175.200000111.3V125 A131V125-A129 VanDerWaalsContact O-CB 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.39Å; V125-A129 PolarHBondContact O-N 3.25Å; A129-A131 VanDerWaalsContact C-N 3.35Å; A129-A131 PolarHBondContact O-N 3.33Å
130F93.8Very high94.7Very high52 Ų5237.2 Ų37.223%0.22822%0.216CC..Hα-helixtrans-68.5-33.4176.8-171.6-102000112.2L14 K16 Q22 A24 L25 H126 E128L14-F130 HydrophobicContact CD2-CD1 3.75Å; L14-F130 HydrophobicContact CD2-CE1 4.44Å; K16-F130 VanDerWaalsContact CE-CD1 3.46Å; K16-F130 VanDerWaalsContact CE-CE1 3.48Å; K16-F130 WeakPolarHBondContact CE-O 3.42Å; K16-F130 PolarHBondContact NZ-O 3.25Å; Q22-F130 HydrophobicContact CG-CE1 4.28Å; A24-F130 HydrophobicContact CB-CB 4.06Å; A24-F130 HydrophobicContact CB-CD1 3.64Å; A24-F130 HydrophobicContact CB-CE1 4.27Å; A24-F130 HydrophobicContact CB-CG 3.93Å; L25-F130 HydrophobicContact CB-CD2 4.02Å; L25-F130 HydrophobicContact CB-CE2 3.99Å; L25-F130 HydrophobicContact CD1-CE2 4.07Å; L25-F130 HydrophobicContact CG-CD2 4.31Å; L25-F130 HydrophobicContact CG-CE2 3.75Å; L25-F130 HydrophobicContact CG-CZ 4.44Å; H126-F130 VanDerWaalsContact O-CB 3.23Å; H126-F130 WeakPolarHBondContact O-CB 3.42Å; H126-F130 PolarHBondContact O-N 3.24Å; E128-F130 VanDerWaalsContact C-N 3.34Å; E128-F130 PolarHBondContact O-N 3.15Å
131A93.4Very high94.7Very high20 Ų2037.3 Ų37.317%0.16522%0.217CC..Hα-helixtrans-77.8-28.3179.700000114.3L14 A127 E128 A129 Q133 V135L14-A131 HydrophobicContact CD2-CB 3.85Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.41Å; E128-A131 PolarHBondContact O-N 2.9Å; A129-A131 VanDerWaalsContact C-N 3.35Å; A129-A131 PolarHBondContact O-N 3.33Å; A131-Q133 HydrophobicContact CB-CG 3.84Å; A131-Q133 PolarHBondContact O-N 3.16Å; A131-V135 HydrophobicContact CB-CG2 4.03Å
132G93Very high94.9Very high74 Ų7435 Ų3576%0.76321%0.208SC*.THydrogen-bonded Turntrans71.713.6-167.300000113.8E128E128-G132 PolarHBondContact O-N 2.66Å
133Q93.5Very high94.9Very high92 Ų9235.3 Ų35.343%0.4321%0.21SC..SBendtrans-154167.4-177.262.8173.22000111.4E128 A131E128-Q133 WeakPolarHBondContact CA-O 3.31Å; A131-Q133 HydrophobicContact CB-CG 3.84Å; A131-Q133 PolarHBondContact O-N 3.16Å
134Q93.7Very high94.7Very high152 Ų15235.4 Ų35.471%0.7121%0.211SC*.  trans-66.2144.9176.5-66.8-171.3-2.900112.4
135V93.7Very high94.6Very high11 Ų1133.2 Ų33.27%0.06720%0.203CC..  trans-132.980.6-179.8-1720000109.4M1 L14 A127 E128 A131M1-V135 HydrophobicContact CB-CG1 3.78Å; M1-V135 HydrophobicContact CG-CG1 3.82Å; M1-V135 HydrophobicContact SD-CG1 4.29Å; L14-V135 HydrophobicContact CD1-CG1 4.06Å; L14-V135 HydrophobicContact CD1-CG2 4.06Å; A127-V135 HydrophobicContact CB-CB 4.47Å; A127-V135 HydrophobicContact CB-CG2 4.43Å; E128-V135 HydrophobicContact CG-CB 3.98Å; E128-V135 HydrophobicContact CG-CG2 3.98Å; E128-V135 PolarHBondContact OE1-N 3.06Å; E128-V135 VanDerWaalsContact OE1-N 3.11Å; A131-V135 HydrophobicContact CB-CG2 4.03Å
136P92.3Very high94.8Very high59 Ų5931.1 Ų31.138%0.38319%0.19SC..  trans-75.7-32.6-173.829-34.5000113.3N164P136-N164 PolarHBondContact O-N 2.96Å
137D95.5Very high94.9Very high41 Ų4130.8 Ų30.822%0.21919%0.189CC..EExtended strand (participates in β ladder)trans-90.7133.8-170.4-60.3-34.8000112.6M1 N164 I166 I379M1-D137 WeakPolarHBondContact CG-O 3.26Å; M1-D137 PolarHBondContact N-O 3.06Å; D137-N164 WeakPolarHBondContact CA-O 3.31Å; D137-N164 WeakPolarHBondContact OD1-CB 3.36Å; D137-N164 PolarHBondContact OD1-ND2 3.38Å; D137-I166 HydrophobicContact CB-CD1 4.1Å; D137-I166 HydrophobicContact CB-CG1 4.01Å; D137-I379 HydrophobicContact CB-CD1 3.84Å
138A97.3Very high95Very high0 Ų031.1 Ų31.10%019%0.19CC..EExtended strand (participates in β ladder)trans-136.6141.7-178.700000113M1 V163 N164 I166M1-A138 HydrophobicContact CE-CB 3.75Å; M1-A138 HydrophobicContact CG-CB 4.12Å; M1-A138 WeakPolarHBondContact O-CA 3.24Å; A138-V163 HydrophobicContact CB-CB 4.03Å; A138-V163 HydrophobicContact CB-CG2 3.65Å; A138-N164 PolarHBondContact N-O 3.45Å; A138-I166 PolarHBondContact O-N 3.39Å
139V98.1Very high95.1Very high0 Ų029.5 Ų29.50%018%0.184CC..EExtended strand (participates in β ladder)trans-109.3132157.4171.80000107.6M1 S2 V3 I166 A167 M169 A371 F374 A375M1-V139 PolarHBondContact O-N 2.68Å; M1-V139 VanDerWaalsContact O-N 3.16Å; S2-V139 CarbonylContact C-O 3.51Å; S2-V139 WeakPolarHBondContact CA-O 3.48Å; V3-V139 PolarHBondContact N-O 3.35Å; V139-I166 HydrophobicContact CG2-CB 3.87Å; V139-I166 HydrophobicContact CG2-CG2 4.14Å; V139-A167 WeakPolarHBondContact CA-O 3.26Å; V139-M169 HydrophobicContact CG1-CB 3.88Å; V139-A371 HydrophobicContact CG1-CB 4.02Å; V139-F374 HydrophobicContact CG1-CD1 4.23Å; V139-F374 HydrophobicContact CG2-CD1 4.02Å; V139-A375 HydrophobicContact CB-CB 4.25Å; V139-A375 HydrophobicContact CG2-CB 3.52Å
140I98.6Very high95.3Very high0 Ų025.7 Ų25.70%015%0.152CC..EExtended strand (participates in β ladder)trans-112.4125.6-178.3-58.5177.9000108.7V3 L5 I120 I142 M154 A158 V163 L165 A167 L168 M169V3-I140 HydrophobicContact CB-CG1 4.43Å; V3-I140 WeakPolarHBondContact O-CA 3.4Å; L5-I140 HydrophobicContact CB-CG2 4.11Å; L5-I140 HydrophobicContact CD2-CG2 4.36Å; I120-I140 HydrophobicContact CD1-CD1 3.88Å; I120-I140 HydrophobicContact CG1-CD1 4.25Å; I120-I140 HydrophobicContact CG2-CD1 4.15Å; I140-I142 HydrophobicContact CG2-CG2 4.48Å; I140-M154 HydrophobicContact CG2-CG 4.49Å; I140-M154 HydrophobicContact CG2-SD 4.33Å; I140-A158 HydrophobicContact CD1-CB 3.97Å; I140-V163 HydrophobicContact CD1-CG2 4.42Å; I140-L165 HydrophobicContact CB-CD1 4.23Å; I140-L165 HydrophobicContact CD1-CD1 3.87Å; I140-L165 HydrophobicContact CG1-CD1 3.81Å; I140-A167 PolarHBondContact N-O 2.87Å; I140-L168 HydrophobicContact CB-CD2 4.12Å; I140-L168 WeakPolarHBondContact O-CA 3.36Å; I140-M169 PolarHBondContact O-N 2.83Å
141S97.9Very high95.5Very high2 Ų223.7 Ų23.71%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-72.9140.9171.384.10000109.9V3 D4 L5 M169V3-S141 PolarHBondContact O-N 3.46Å; D4-S141 WeakPolarHBondContact CA-OG 3.37Å; D4-S141 PolarHBondContact OD1-OG 3.24Å; L5-S141 PolarHBondContact N-OG 2.89Å; S141-M169 CarbonylContact C-O 3.6Å; S141-M169 WeakPolarHBondContact CA-O 2.98Å
142I97.1Very high95.7Very high1 Ų124.7 Ų24.71%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-136.1156176.755.4163.4000110.8I140 A144 F146 R151 M154 L168 M169 N170 D171I140-I142 HydrophobicContact CG2-CG2 4.48Å; I142-A144 PolarHBondContact O-N 3.09Å; I142-F146 HydrophobicContact CB-CD2 3.9Å; I142-F146 HydrophobicContact CB-CE2 4.2Å; I142-F146 HydrophobicContact CD1-CB 4.16Å; I142-F146 HydrophobicContact CD1-CD2 4.01Å; I142-F146 HydrophobicContact CD1-CG 4.45Å; I142-F146 HydrophobicContact CG2-CD2 4.23Å; I142-F146 HydrophobicContact CG2-CE2 4.26Å; I142-R151 HydrophobicContact CD1-CG 3.85Å; I142-M154 HydrophobicContact CG2-CE 4.06Å; I142-M154 HydrophobicContact CG2-CG 3.89Å; I142-L168 HydrophobicContact CD1-CB 3.86Å; I142-L168 HydrophobicContact CD1-CD1 4.02Å; I142-L168 HydrophobicContact CD1-CG 4.49Å; I142-L168 HydrophobicContact CG1-CB 4.22Å; I142-L168 HydrophobicContact CG2-CD2 4.19Å; I142-M169 PolarHBondContact N-O 3.43Å; I142-N170 WeakPolarHBondContact O-CA 3.23Å; I142-D171 VanDerWaalsContact O-CG 3.31Å; I142-D171 PolarHBondContact O-N 3.48Å
143P95.1Very high95.9Very high8 Ų821.3 Ų21.35%0.05211%0.108CC..  trans-54.9129.8171.6-26.635.6000112V66 F145 F146 K203V66-P143 HydrophobicContact CG1-CG 4.48Å; P143-F145 HydrophobicContact CB-CD1 4.34Å; P143-F145 HydrophobicContact CB-CD2 4.02Å; P143-F145 HydrophobicContact CB-CE1 4.04Å; P143-F145 HydrophobicContact CB-CE2 3.6Å; P143-F145 HydrophobicContact CB-CG 4.38Å; P143-F145 HydrophobicContact CB-CZ 3.65Å; P143-F145 HydrophobicContact CG-CE2 4.38Å; P143-F145 HydrophobicContact CG-CZ 4.38Å; P143-F145 PolarHBondContact O-N 2.88Å; P143-F146 HydrophobicContact CB-CD1 3.72Å; P143-F146 HydrophobicContact CB-CE1 3.82Å; P143-F146 HydrophobicContact CB-CG 4.45Å; P143-F146 HydrophobicContact CG-CD1 3.94Å; P143-F146 HydrophobicContact CG-CE1 3.53Å; P143-F146 HydrophobicContact CG-CZ 3.93Å; P143-F146 WeakPolarHBondContact O-CB 3.25Å; P143-F146 PolarHBondContact O-N 2.97Å; P143-K203 HydrophobicContact CB-CD 3.9Å; P143-K203 HydrophobicContact CG-CD 4.18Å
144A91.6Very high96.1Very high2 Ų217 Ų172%0.0179%0.087CC..THydrogen-bonded Turntrans-62-17.1-174.700000115.2I142 N170 D171 R218I142-A144 PolarHBondContact O-N 3.09Å; A144-N170 HydrophobicContact CB-CB 3.82Å; A144-D171 PolarHBondContact N-OD1 3.32Å; A144-R218 VanDerWaalsContact O-CZ 3.29Å; A144-R218 PolarHBondContact O-NE 3.35Å; A144-R218 PolarHBondContact O-NH2 2.75Å
145F92.9Very high96.3Very high4 Ų411.2 Ų11.22%0.0186%0.062CC..THydrogen-bonded Turntrans-894.5175.257.7-116.9000114.4P143 N147 K203 T205 Y220 R222 Y395P143-F145 HydrophobicContact CB-CD1 4.34Å; P143-F145 HydrophobicContact CB-CD2 4.02Å; P143-F145 HydrophobicContact CB-CE1 4.04Å; P143-F145 HydrophobicContact CB-CE2 3.6Å; P143-F145 HydrophobicContact CB-CG 4.38Å; P143-F145 HydrophobicContact CB-CZ 3.65Å; P143-F145 HydrophobicContact CG-CE2 4.38Å; P143-F145 HydrophobicContact CG-CZ 4.38Å; P143-F145 PolarHBondContact O-N 2.88Å; F145-N147 PolarHBondContact O-N 3.25Å; F145-K203 HydrophobicContact CD1-CD 4.4Å; F145-K203 HydrophobicContact CE1-CB 3.93Å; F145-K203 HydrophobicContact CE1-CD 3.33Å; F145-K203 HydrophobicContact CE1-CG 4.22Å; F145-K203 HydrophobicContact CZ-CB 4.15Å; F145-K203 HydrophobicContact CZ-CD 3.54Å; F145-K203 HydrophobicContact CZ-CG 4.42Å; F145-T205 HydrophobicContact CD1-CG2 4.3Å; F145-T205 HydrophobicContact CE1-CG2 4.41Å; F145-Y220 HydrophobicContact CB-CD1 3.55Å; F145-Y220 HydrophobicContact CB-CD2 3.9Å; F145-Y220 HydrophobicContact CB-CE1 3.59Å; F145-Y220 HydrophobicContact CB-CE2 3.9Å; F145-Y220 HydrophobicContact CB-CG 3.73Å; F145-Y220 HydrophobicContact CD1-CD1 4.09Å; F145-Y220 AromaticContact CD1-CD2 3.33Å; F145-Y220 HydrophobicContact CD1-CD2 3.33Å; F145-Y220 HydrophobicContact CD1-CE2 4.03Å; F145-Y220 AromaticContact CD1-CG 3.36Å; F145-Y220 HydrophobicContact CD1-CG 3.36Å; F145-Y220 HydrophobicContact CD2-CE2 4.49Å; F145-Y220 AromaticContact CE1-CD2 3.84Å; F145-Y220 HydrophobicContact CE1-CD2 3.84Å; F145-Y220 HydrophobicContact CE1-CG 4.18Å; F145-Y220 HydrophobicContact CG-CD1 4.21Å; F145-Y220 AromaticContact CG-CD2 3.69Å; F145-Y220 HydrophobicContact CG-CD2 3.69Å; F145-Y220 HydrophobicContact CG-CE1 4.43Å; F145-Y220 AromaticContact CG-CE2 3.9Å; F145-Y220 HydrophobicContact CG-CE2 3.9Å; F145-Y220 AromaticContact CG-CG 3.85Å; F145-Y220 HydrophobicContact CG-CG 3.85Å; F145-R222 HydrophobicContact CE2-CG 4.48Å; F145-R222 VanDerWaalsContact CE2-NH2 3.25Å; F145-R222 HydrophobicContact CZ-CB 4.42Å; F145-R222 HydrophobicContact CZ-CG 4.14Å; F145-Y395 WeakPolarHBondContact CA-OH 3.45Å; F145-Y395 PolarHBondContact O-OH 2.99Å
146F95.8Very high96.5Very high2 Ų211.4 Ų11.41%0.0096%0.063CC..  trans-60.8126.7175.9-88.215.8000110.8V66 L69 I142 P143 E150 R151 M154V66-F146 HydrophobicContact CG1-CZ 3.81Å; L69-F146 HydrophobicContact CD2-CE2 3.98Å; L69-F146 HydrophobicContact CD2-CZ 4.42Å; I142-F146 HydrophobicContact CB-CD2 3.9Å; I142-F146 HydrophobicContact CB-CE2 4.2Å; I142-F146 HydrophobicContact CD1-CB 4.16Å; I142-F146 HydrophobicContact CD1-CD2 4.01Å; I142-F146 HydrophobicContact CD1-CG 4.45Å; I142-F146 HydrophobicContact CG2-CD2 4.23Å; I142-F146 HydrophobicContact CG2-CE2 4.26Å; P143-F146 HydrophobicContact CB-CD1 3.72Å; P143-F146 HydrophobicContact CB-CE1 3.82Å; P143-F146 HydrophobicContact CB-CG 4.45Å; P143-F146 HydrophobicContact CG-CD1 3.94Å; P143-F146 HydrophobicContact CG-CE1 3.53Å; P143-F146 HydrophobicContact CG-CZ 3.93Å; P143-F146 WeakPolarHBondContact O-CB 3.25Å; P143-F146 PolarHBondContact O-N 2.97Å; F146-E150 WeakPolarHBondContact CA-OE2 3.39Å; F146-E150 HydrophobicContact CB-CB 3.81Å; F146-E150 HydrophobicContact CD1-CB 4.01Å; F146-E150 HydrophobicContact CD1-CG 4.26Å; F146-E150 HydrophobicContact CD2-CB 3.71Å; F146-E150 HydrophobicContact CE1-CB 4.43Å; F146-E150 HydrophobicContact CE1-CG 4.47Å; F146-E150 HydrophobicContact CE2-CB 4.18Å; F146-E150 HydrophobicContact CG-CB 3.59Å; F146-E150 HydrophobicContact CG-CG 4.35Å; F146-R151 HydrophobicContact CB-CG 4.05Å; F146-R151 PolarHBondContact O-NE 3.22Å; F146-R151 PolarHBondContact O-NH2 2.8Å; F146-M154 HydrophobicContact CE2-CE 4.3Å
147N96.1Very high96.8Very high5 Ų58.6 Ų8.63%0.0275%0.045CC..  trans-78-172.817377.111.3000111F145 A149 E150 R151 Y395 Y449 F463F145-N147 PolarHBondContact O-N 3.25Å; N147-A149 WeakPolarHBondContact OD1-CB 3.38Å; N147-A149 PolarHBondContact OD1-N 3.35Å; N147-E150 PolarHBondContact N-OE2 3.46Å; N147-E150 PolarHBondContact OD1-N 3.34Å; N147-E150 PolarHBondContact OD1-OE2 3.21Å; N147-R151 WeakPolarHBondContact O-CB 3.41Å; N147-R151 VanDerWaalsContact O-CG 3.23Å; N147-R151 WeakPolarHBondContact O-CG 3.31Å; N147-R151 PolarHBondContact O-N 2.88Å; N147-Y395 HydrophobicContact CB-CE2 4.32Å; N147-Y449 WeakPolarHBondContact CB-OH 3.27Å; N147-F463 HydrophobicContact CB-CD2 4.41Å; N147-F463 HydrophobicContact CB-CE2 3.72Å; N147-F463 HydrophobicContact CB-CZ 3.95Å; N147-F463 PolarHBondContact ND2-O 2.96Å
148Q97.3Very high96.8Very high8 Ų86.6 Ų6.64%0.0374%0.035CC..Hα-helixtrans-67.2-40.8-177-71.3-64.2-35.400111.5R151 R152 Y449 I468 G503Q148-R151 PolarHBondContact O-N 3.35Å; Q148-R152 WeakPolarHBondContact O-CB 3.4Å; Q148-R152 WeakPolarHBondContact O-CG 2.99Å; Q148-R152 PolarHBondContact O-N 3.43Å; Q148-Y449 WeakPolarHBondContact CB-OH 3.15Å; Q148-Y449 HydrophobicContact CG-CE1 4.32Å; Q148-Y449 WeakPolarHBondContact CG-OH 3.46Å; Q148-Y449 PolarHBondContact N-OH 3.01Å; Q148-I468 HydrophobicContact CB-CG2 4.02Å; Q148-I468 HydrophobicContact CG-CD1 4.35Å; Q148-I468 HydrophobicContact CG-CG2 4Å; Q148-G503 PolarHBondContact NE2-O 2.94Å
149A97.1Very high96.8Very high6 Ų611.3 Ų11.35%0.056%0.056CC..Hα-helixtrans-64.3-45.7177.800000112.2N147 R152 A153 D611 I612N147-A149 WeakPolarHBondContact OD1-CB 3.38Å; N147-A149 PolarHBondContact OD1-N 3.35Å; A149-R152 PolarHBondContact O-N 2.97Å; A149-A153 VanDerWaalsContact O-CB 3.31Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 2.82Å; A149-D611 HydrophobicContact CB-CB 4.32Å; A149-I612 HydrophobicContact CB-CD1 4Å; A149-I612 HydrophobicContact CB-CG1 4.21Å
150E97.5Very high96.7Very high1 Ų111.3 Ų11.31%0.0056%0.056CC..Hα-helixtrans-60.5-44.8175.1-75.1167.6124.600111.4L69 K71 F146 N147 A153 M154 R222L69-E150 VanDerWaalsContact O-CG 3.3Å; L69-E150 WeakPolarHBondContact O-CG 3.15Å; K71-E150 WeakPolarHBondContact CE-OE1 3.5Å; K71-E150 IonicContact NZ-OE1 3.15Å; K71-E150 PolarHBondContact NZ-OE1 3.11Å; K71-E150 IonicContact NZ-OE2 2.7Å; K71-E150 PolarHBondContact NZ-OE2 2.99Å; F146-E150 WeakPolarHBondContact CA-OE2 3.39Å; F146-E150 HydrophobicContact CB-CB 3.81Å; F146-E150 HydrophobicContact CD1-CB 4.01Å; F146-E150 HydrophobicContact CD1-CG 4.26Å; F146-E150 HydrophobicContact CD2-CB 3.71Å; F146-E150 HydrophobicContact CE1-CB 4.43Å; F146-E150 HydrophobicContact CE1-CG 4.47Å; F146-E150 HydrophobicContact CE2-CB 4.18Å; F146-E150 HydrophobicContact CG-CB 3.59Å; F146-E150 HydrophobicContact CG-CG 4.35Å; N147-E150 PolarHBondContact N-OE2 3.46Å; N147-E150 PolarHBondContact OD1-N 3.34Å; N147-E150 PolarHBondContact OD1-OE2 3.21Å; E150-A153 PolarHBondContact O-N 3.45Å; E150-M154 PolarHBondContact O-N 3.27Å; E150-R222 IonicContact OE1-CZ 3.08Å; E150-R222 VanDerWaalsContact OE1-CZ 3.27Å; E150-R222 IonicContact OE1-NH1 2.7Å; E150-R222 PolarHBondContact OE1-NH1 3.02Å; E150-R222 IonicContact OE1-NH2 3.96Å; E150-R222 PolarHBondContact OE1-NH2 3.07Å; E150-R222 IonicContact OE2-NH2 2.97Å
151R97.7Very high96.5Very high10 Ų1011.4 Ų11.44%0.0386%0.058CC..Hα-helixtrans-63.5-47.9177.1-72.1170.7-171.1-84.3-13.7112.1I142 F146 N147 Q148 A153 M154 V155 L168 N170 S502 I504I142-R151 HydrophobicContact CD1-CG 3.85Å; F146-R151 HydrophobicContact CB-CG 4.05Å; F146-R151 PolarHBondContact O-NE 3.22Å; F146-R151 PolarHBondContact O-NH2 2.8Å; N147-R151 WeakPolarHBondContact O-CB 3.41Å; N147-R151 VanDerWaalsContact O-CG 3.23Å; N147-R151 WeakPolarHBondContact O-CG 3.31Å; N147-R151 PolarHBondContact O-N 2.88Å; Q148-R151 PolarHBondContact O-N 3.35Å; R151-A153 VanDerWaalsContact C-N 3.31Å; R151-A153 PolarHBondContact O-N 3.47Å; R151-M154 PolarHBondContact O-N 3.02Å; R151-V155 WeakPolarHBondContact O-CG2 3.29Å; R151-V155 PolarHBondContact O-N 3.32Å; R151-L168 HydrophobicContact CB-CD1 4.06Å; R151-L168 HydrophobicContact CG-CD1 4.33Å; R151-L168 WeakPolarHBondContact O-CD1 3.46Å; R151-N170 PolarHBondContact NH1-OD1 3.41Å; R151-N170 PolarHBondContact NH2-OD1 2.98Å; R151-S502 PolarHBondContact NH1-O 2.65Å; R151-I504 HydrophobicContact CB-CD1 4.08Å; R151-I504 HydrophobicContact CB-CG1 3.81Å
152R97.4Very high96.2Very high41 Ų4112 Ų1216%0.1556%0.064CC..Hα-helixtrans-62.8-36.8177.5-75.4-168.2-61.3-89.2-11.2112.5Q148 A149 V155 T156 I504 D611Q148-R152 WeakPolarHBondContact O-CB 3.4Å; Q148-R152 WeakPolarHBondContact O-CG 2.99Å; Q148-R152 PolarHBondContact O-N 3.43Å; A149-R152 PolarHBondContact O-N 2.97Å; R152-V155 PolarHBondContact O-N 3.31Å; R152-T156 PolarHBondContact O-N 2.87Å; R152-T156 PolarHBondContact O-OG1 3.4Å; R152-I504 HydrophobicContact CG-CG2 4.2Å; R152-D611 IonicContact CZ-OD1 3.52Å; R152-D611 IonicContact CZ-OD2 2.62Å; R152-D611 IonicContact NH2-OD1 2.97Å; R152-D611 PolarHBondContact NH2-OD1 2.56Å; R152-D611 IonicContact NH2-OD2 3.53Å; R152-D611 PolarHBondContact NH2-OD2 3.22Å
153A97.7Very high96.1Very high3 Ų312.7 Ų12.73%0.0257%0.068CC..Hα-helixtrans-67.2-35.1175.200000112.1L69 E113 A149 E150 R151 T156 A157L69-A153 HydrophobicContact CD1-CB 3.68Å; L69-A153 HydrophobicContact CD2-CB 4.33Å; L69-A153 HydrophobicContact CG-CB 3.61Å; E113-A153 HydrophobicContact CG-CB 4.07Å; A149-A153 VanDerWaalsContact O-CB 3.31Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 2.82Å; E150-A153 PolarHBondContact O-N 3.45Å; R151-A153 VanDerWaalsContact C-N 3.31Å; R151-A153 PolarHBondContact O-N 3.47Å; A153-T156 WeakPolarHBondContact O-CB 3.48Å; A153-T156 PolarHBondContact O-N 3.04Å; A153-A157 PolarHBondContact O-N 3.1Å
154M98.3Very high96.2Very high1 Ų116.5 Ų16.51%0.0059%0.088CC..Hα-helixtrans-67.8-39.9171.7-172.36074.600112.5L5 L69 L116 I120 I140 I142 F146 E150 R151 T156 A157 A158 L168L5-M154 HydrophobicContact CD2-CE 3.55Å; L5-M154 HydrophobicContact CD2-SD 3.88Å; L69-M154 HydrophobicContact CD2-CB 3.82Å; L69-M154 HydrophobicContact CD2-CE 3.56Å; L69-M154 HydrophobicContact CD2-SD 4.29Å; L116-M154 HydrophobicContact CD1-CE 4.11Å; I120-M154 HydrophobicContact CD1-SD 4.14Å; I140-M154 HydrophobicContact CG2-CG 4.49Å; I140-M154 HydrophobicContact CG2-SD 4.33Å; I142-M154 HydrophobicContact CG2-CE 4.06Å; I142-M154 HydrophobicContact CG2-CG 3.89Å; F146-M154 HydrophobicContact CE2-CE 4.3Å; E150-M154 PolarHBondContact O-N 3.27Å; R151-M154 PolarHBondContact O-N 3.02Å; M154-T156 VanDerWaalsContact C-N 3.27Å; M154-T156 PolarHBondContact O-N 2.83Å; M154-A157 WeakPolarHBondContact O-CB 3.45Å; M154-A157 PolarHBondContact O-N 3.26Å; M154-A157 HydrophobicContact SD-CB 4.43Å; M154-A158 PolarHBondContact O-N 3.5Å; M154-L168 HydrophobicContact CB-CD1 4.12Å; M154-L168 HydrophobicContact CB-CD2 4.24Å; M154-L168 HydrophobicContact CG-CD1 4.37Å; M154-L168 HydrophobicContact CG-CD2 3.6Å
155V98Very high96.5Very high31 Ų3118.1 Ų18.119%0.18810%0.096CC..Hα-helixtrans-59.2-42.6172174.90000110.5R151 R152 A157 A158 Q159 L165 L168 I504R151-V155 WeakPolarHBondContact O-CG2 3.29Å; R151-V155 PolarHBondContact O-N 3.32Å; R152-V155 PolarHBondContact O-N 3.31Å; V155-A157 PolarHBondContact O-N 3.03Å; V155-A158 PolarHBondContact O-N 3.46Å; V155-Q159 HydrophobicContact CG1-CG 4.35Å; V155-Q159 WeakPolarHBondContact O-CB 3.36Å; V155-Q159 WeakPolarHBondContact O-CG 3.43Å; V155-Q159 PolarHBondContact O-N 2.91Å; V155-L165 HydrophobicContact CB-CD2 4.35Å; V155-L165 HydrophobicContact CG1-CD2 4.45Å; V155-L165 HydrophobicContact CG2-CD2 3.85Å; V155-L168 HydrophobicContact CG2-CD1 3.98Å; V155-L168 HydrophobicContact CG2-CG 4.44Å; V155-I504 HydrophobicContact CG2-CD1 3.41Å; V155-I504 VanDerWaalsContact CG2-CD1 3.41Å
156T97.6Very high96.7Very high14 Ų1420.3 Ų20.39%0.08611%0.108CC..Hα-helixtrans-59.6-46.1175.5-59.10000110.8E113 R152 A153 M154 A158 Q159 I160 V615 W619 M620E113-T156 HydrophobicContact CB-CG2 4.26Å; E113-T156 HydrophobicContact CG-CG2 4.15Å; R152-T156 PolarHBondContact O-N 2.87Å; R152-T156 PolarHBondContact O-OG1 3.4Å; A153-T156 WeakPolarHBondContact O-CB 3.48Å; A153-T156 PolarHBondContact O-N 3.04Å; M154-T156 VanDerWaalsContact C-N 3.27Å; M154-T156 PolarHBondContact O-N 2.83Å; T156-A158 PolarHBondContact O-N 3.19Å; T156-Q159 PolarHBondContact O-N 2.9Å; T156-I160 HydrophobicContact CG2-CD1 3.92Å; T156-I160 VanDerWaalsContact O-CG1 3.29Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 2.85Å; T156-V615 HydrophobicContact CG2-CG1 4.23Å; T156-V615 HydrophobicContact CG2-CG2 4.2Å; T156-W619 HydrophobicContact CG2-CZ3 4Å; T156-M620 HydrophobicContact CG2-CE 3.9Å
157A97.4Very high96.7Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-59.7-43.6175.400000112.3E113 L116 A117 I120 A153 M154 V155 I160 A161E113-A157 HydrophobicContact CB-CB 4.45Å; E113-A157 WeakPolarHBondContact O-CB 3.1Å; L116-A157 HydrophobicContact CB-CB 4.09Å; A117-A157 VanDerWaalsContact CB-O 3.22Å; A117-A157 WeakPolarHBondContact CB-O 3.49Å; I120-A157 HydrophobicContact CD1-CB 4.04Å; A153-A157 PolarHBondContact O-N 3.1Å; M154-A157 WeakPolarHBondContact O-CB 3.45Å; M154-A157 PolarHBondContact O-N 3.26Å; M154-A157 HydrophobicContact SD-CB 4.43Å; V155-A157 PolarHBondContact O-N 3.03Å; A157-I160 PolarHBondContact O-N 2.92Å; A157-A161 WeakPolarHBondContact O-CB 3.4Å; A157-A161 PolarHBondContact O-N 3.08Å
158A97.4Very high96.8Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-63.8-41.1176.500000112.5I140 M154 V155 T156 A161 G162 V163 L165I140-A158 HydrophobicContact CD1-CB 3.97Å; M154-A158 PolarHBondContact O-N 3.5Å; V155-A158 PolarHBondContact O-N 3.46Å; T156-A158 PolarHBondContact O-N 3.19Å; A158-A161 PolarHBondContact O-N 2.99Å; A158-G162 PolarHBondContact O-N 3.49Å; A158-V163 HydrophobicContact CB-CG2 4.12Å; A158-V163 WeakPolarHBondContact O-CA 3.27Å; A158-V163 PolarHBondContact O-N 3.4Å; A158-V163 VanDerWaalsContact O-N 3.13Å; A158-L165 HydrophobicContact CB-CB 4.12Å; A158-L165 HydrophobicContact CB-CD1 4.38Å; A158-L165 HydrophobicContact CB-CD2 4.01Å; A158-L165 HydrophobicContact CB-CG 4.41Å
159Q96.2Very high96.7Very high98 Ų9820.3 Ų20.346%0.45811%0.108SC..Hα-helixtrans-63-40.6173.9-74.9176.4-10.400111.6V155 T156 A161 M620 R628V155-Q159 HydrophobicContact CG1-CG 4.35Å; V155-Q159 WeakPolarHBondContact O-CB 3.36Å; V155-Q159 WeakPolarHBondContact O-CG 3.43Å; V155-Q159 PolarHBondContact O-N 2.91Å; T156-Q159 PolarHBondContact O-N 2.9Å; Q159-A161 VanDerWaalsContact C-N 3.34Å; Q159-M620 HydrophobicContact CB-CE 4.21Å; Q159-M620 HydrophobicContact CB-SD 4.46Å; Q159-R628 PolarHBondContact O-NH2 3.44Å
160I95.4Very high96.6Very high0 Ų020.1 Ų20.10%011%0.106CC..Hα-helixtrans-67.2-37.6174.4-64.8163.6000110.4E113 Q114 A117 T156 A157 G162 W619 M620 V627 R628E113-I160 HydrophobicContact CB-CD1 4.28Å; Q114-I160 HydrophobicContact CG-CD1 4.42Å; A117-I160 HydrophobicContact CB-CB 3.6Å; A117-I160 HydrophobicContact CB-CG2 3.47Å; A117-I160 VanDerWaalsContact CB-CG2 3.47Å; T156-I160 HydrophobicContact CG2-CD1 3.92Å; T156-I160 VanDerWaalsContact O-CG1 3.29Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 2.85Å; A157-I160 PolarHBondContact O-N 2.92Å; I160-G162 PolarHBondContact O-N 3.49Å; I160-W619 HydrophobicContact CD1-CH2 3.99Å; I160-W619 HydrophobicContact CD1-CZ3 3.93Å; I160-M620 HydrophobicContact CG1-SD 3.76Å; I160-V627 HydrophobicContact CG2-CB 3.53Å; I160-V627 HydrophobicContact CG2-CG1 3.95Å; I160-V627 HydrophobicContact CG2-CG2 3.47Å; I160-V627 VanDerWaalsContact CG2-CG2 3.47Å; I160-R628 WeakPolarHBondContact O-CD 3.48Å; I160-R628 WeakPolarHBondContact O-CG 3.39Å; I160-R628 PolarHBondContact O-NE 3.24Å
161A94.2Very high96.5Very high3 Ų320.4 Ų20.43%0.02511%0.108CC..Hα-helixtrans-66.9-35.9-17000000116.1A117 I120 A157 A158 Q159A117-A161 HydrophobicContact CB-CB 4.14Å; A117-A161 WeakPolarHBondContact O-CB 3.37Å; I120-A161 HydrophobicContact CB-CB 3.75Å; I120-A161 HydrophobicContact CG2-CB 3.58Å; A157-A161 WeakPolarHBondContact O-CB 3.4Å; A157-A161 PolarHBondContact O-N 3.08Å; A158-A161 PolarHBondContact O-N 2.99Å; Q159-A161 VanDerWaalsContact C-N 3.34Å
162G93.5Very high96.3Very high14 Ų1420 Ų2014%0.14411%0.106CC..THydrogen-bonded Turntrans129.8-8.3-165.400000113.8R124 A158 I160R124-G162 PolarHBondContact NH1-O 2.87Å; A158-G162 PolarHBondContact O-N 3.49Å; I160-G162 PolarHBondContact O-N 3.49Å
163V95.1Very high96.1Very high15 Ų1518.4 Ų18.49%0.09110%0.101CC..  trans-67.6117-166.6-14.50000117.7M1 I120 R124 A138 I140 A158 L165M1-V163 HydrophobicContact CE-CG1 3.96Å; I120-V163 HydrophobicContact CG2-CG1 4.38Å; I120-V163 HydrophobicContact CG2-CG2 3.75Å; R124-V163 HydrophobicContact CB-CG1 4.41Å; A138-V163 HydrophobicContact CB-CB 4.03Å; A138-V163 HydrophobicContact CB-CG2 3.65Å; I140-V163 HydrophobicContact CD1-CG2 4.42Å; A158-V163 HydrophobicContact CB-CG2 4.12Å; A158-V163 WeakPolarHBondContact O-CA 3.27Å; A158-V163 PolarHBondContact O-N 3.4Å; A158-V163 VanDerWaalsContact O-N 3.13Å; V163-L165 PolarHBondContact O-N 3.1Å
164N96.6Very high96Very high88 Ų8818.2 Ų18.247%0.47110%0.1SC..EExtended strand (participates in β ladder)trans-80.595.7151.4-175.333000108.4P136 D137 A138 I166P136-N164 PolarHBondContact O-N 2.96Å; D137-N164 WeakPolarHBondContact CA-O 3.31Å; D137-N164 WeakPolarHBondContact OD1-CB 3.36Å; D137-N164 PolarHBondContact OD1-ND2 3.38Å; A138-N164 PolarHBondContact N-O 3.45Å; N164-I166 PolarHBondContact O-N 2.86Å
165L97.7Very high95.8Very high36 Ų3618.3 Ų18.319%0.18810%0.1CC..EExtended strand (participates in β ladder)trans-76.8106.6-177.6-177.266.7000110.2I140 V155 A158 V163 A167 L168I140-L165 HydrophobicContact CB-CD1 4.23Å; I140-L165 HydrophobicContact CD1-CD1 3.87Å; I140-L165 HydrophobicContact CG1-CD1 3.81Å; V155-L165 HydrophobicContact CB-CD2 4.35Å; V155-L165 HydrophobicContact CG1-CD2 4.45Å; V155-L165 HydrophobicContact CG2-CD2 3.85Å; A158-L165 HydrophobicContact CB-CB 4.12Å; A158-L165 HydrophobicContact CB-CD1 4.38Å; A158-L165 HydrophobicContact CB-CD2 4.01Å; A158-L165 HydrophobicContact CB-CG 4.41Å; V163-L165 PolarHBondContact O-N 3.1Å; L165-A167 WeakPolarHBondContact CD1-O 3.44Å; L165-L168 HydrophobicContact CD1-CD2 4.08Å; L165-L168 HydrophobicContact CD2-CD2 3.79Å; L165-L168 HydrophobicContact CD2-CG 4.12Å
166I96.3Very high95.5Very high51 Ų5117.3 Ų17.326%0.26210%0.097SC..EExtended strand (participates in β ladder)trans-69.7-44.5177.1-59.1-60.6000110.8D137 A138 V139 N164 R378 I379D137-I166 HydrophobicContact CB-CD1 4.1Å; D137-I166 HydrophobicContact CB-CG1 4.01Å; A138-I166 PolarHBondContact O-N 3.39Å; V139-I166 HydrophobicContact CG2-CB 3.87Å; V139-I166 HydrophobicContact CG2-CG2 4.14Å; N164-I166 PolarHBondContact O-N 2.86Å; I166-R378 HydrophobicContact CG2-CB 3.83Å; I166-R378 HydrophobicContact CG2-CG 4.41Å; I166-I379 HydrophobicContact CD1-CD1 4.43Å; I166-I379 HydrophobicContact CD1-CG1 4.07Å; I166-I379 HydrophobicContact CG1-CD1 4.22Å; I166-I379 HydrophobicContact CG1-CG1 4.22Å
167A96.7Very high95.3Very high1 Ų116.9 Ų16.91%0.0089%0.093CC..EExtended strand (participates in β ladder)trans-166.7158.4172.100000111.2V139 I140 L165 F374 D501 S502V139-A167 WeakPolarHBondContact CA-O 3.26Å; I140-A167 PolarHBondContact N-O 2.87Å; L165-A167 WeakPolarHBondContact CD1-O 3.44Å; A167-F374 HydrophobicContact CB-CE1 3.61Å; A167-F374 HydrophobicContact CB-CZ 4.26Å; A167-D501 HydrophobicContact CB-CB 4.42Å; A167-S502 WeakPolarHBondContact CA-OG 3.45Å
168L97.8Very high95.2Very high3 Ų317.7 Ų17.72%0.01610%0.098CC..EExtended strand (participates in β ladder)trans-84136.8154.8-56.9178.3000109I140 I142 R151 M154 V155 L165 S502 I504I140-L168 HydrophobicContact CB-CD2 4.12Å; I140-L168 WeakPolarHBondContact O-CA 3.36Å; I142-L168 HydrophobicContact CD1-CB 3.86Å; I142-L168 HydrophobicContact CD1-CD1 4.02Å; I142-L168 HydrophobicContact CD1-CG 4.49Å; I142-L168 HydrophobicContact CG1-CB 4.22Å; I142-L168 HydrophobicContact CG2-CD2 4.19Å; R151-L168 HydrophobicContact CB-CD1 4.06Å; R151-L168 HydrophobicContact CG-CD1 4.33Å; R151-L168 WeakPolarHBondContact O-CD1 3.46Å; M154-L168 HydrophobicContact CB-CD1 4.12Å; M154-L168 HydrophobicContact CB-CD2 4.24Å; M154-L168 HydrophobicContact CG-CD1 4.37Å; M154-L168 HydrophobicContact CG-CD2 3.6Å; V155-L168 HydrophobicContact CG2-CD1 3.98Å; V155-L168 HydrophobicContact CG2-CG 4.44Å; L165-L168 HydrophobicContact CD1-CD2 4.08Å; L165-L168 HydrophobicContact CD2-CD2 3.79Å; L165-L168 HydrophobicContact CD2-CG 4.12Å; L168-S502 PolarHBondContact N-OG 3.46Å; L168-I504 HydrophobicContact CD1-CD1 4.36Å
169M95.5Very high94.9Very high11 Ų1118.1 Ų18.15%0.05410%0.1CC..EExtended strand (participates in β ladder)trans-122.2137.3177.2-169.2174.4-174.200109.6V139 I140 S141 I142 D171 T173 A174 L177 A371 F374 I389V139-M169 HydrophobicContact CG1-CB 3.88Å; I140-M169 PolarHBondContact O-N 2.83Å; S141-M169 CarbonylContact C-O 3.6Å; S141-M169 WeakPolarHBondContact CA-O 2.98Å; I142-M169 PolarHBondContact N-O 3.43Å; M169-D171 PolarHBondContact O-N 2.98Å; M169-T173 HydrophobicContact CE-CG2 3.93Å; M169-A174 VanDerWaalsContact CE-CA 3.49Å; M169-A174 HydrophobicContact CE-CB 3.95Å; M169-A174 HydrophobicContact CG-CB 4.27Å; M169-A174 HydrophobicContact SD-CB 3.77Å; M169-L177 HydrophobicContact CE-CB 4.22Å; M169-L177 HydrophobicContact CE-CD2 3.76Å; M169-A371 HydrophobicContact SD-CB 4.21Å; M169-F374 HydrophobicContact CE-CB 4.17Å; M169-F374 HydrophobicContact CE-CD2 4.39Å; M169-F374 HydrophobicContact CE-CG 4.43Å; M169-F374 HydrophobicContact SD-CB 3.68Å; M169-F374 HydrophobicContact SD-CD1 4.46Å; M169-F374 HydrophobicContact SD-CD2 4.41Å; M169-F374 HydrophobicContact SD-CG 3.94Å; M169-I389 HydrophobicContact CE-CD1 4.11Å
170N95.4Very high94.7Very high2 Ų213.5 Ų13.51%0.0118%0.079CC..EExtended strand (participates in β ladder)trans-66.8130.4172.6-61-39.9000109I142 A144 R151 N172 T173 A174 R218 E391 Y428I142-N170 WeakPolarHBondContact O-CA 3.23Å; A144-N170 HydrophobicContact CB-CB 3.82Å; R151-N170 PolarHBondContact NH1-OD1 3.41Å; R151-N170 PolarHBondContact NH2-OD1 2.98Å; N170-N172 VanDerWaalsContact C-N 3.27Å; N170-N172 PolarHBondContact O-N 2.96Å; N170-T173 PolarHBondContact O-N 3.28Å; N170-A174 PolarHBondContact O-N 3.49Å; N170-R218 PolarHBondContact ND2-NH1 2.88Å; N170-E391 PolarHBondContact ND2-OE1 2.87Å; N170-E391 PolarHBondContact ND2-OE2 2.83Å; N170-E391 VanDerWaalsContact ND2-OE2 3.15Å; N170-Y428 PolarHBondContact ND2-OH 2.9Å
171D94.4Very high94.3Very high7 Ų714.1 Ų14.14%0.0378%0.082CC..Hα-helixtrans-46.3-49176.347.80000113.1I142 A144 M169 T173 A174 A175 K203 I367I142-D171 VanDerWaalsContact O-CG 3.31Å; I142-D171 PolarHBondContact O-N 3.48Å; A144-D171 PolarHBondContact N-OD1 3.32Å; M169-D171 PolarHBondContact O-N 2.98Å; D171-T173 VanDerWaalsContact C-N 3.31Å; D171-T173 PolarHBondContact O-N 3.28Å; D171-A174 WeakPolarHBondContact O-CB 3.47Å; D171-A174 PolarHBondContact O-N 3.14Å; D171-A174 VanDerWaalsContact O-N 3.13Å; D171-A175 PolarHBondContact O-N 2.99Å; D171-K203 WeakPolarHBondContact OD2-CE 3.4Å; D171-K203 IonicContact OD2-NZ 2.87Å; D171-K203 PolarHBondContact OD2-NZ 3.43Å; D171-I367 HydrophobicContact CB-CD1 4.12Å; D171-I367 HydrophobicContact CB-CG2 4.16Å
172N93Very high93.8Very high2 Ų221 Ų211%0.01111%0.111CC..Hα-helixtrans-64.5-38.3-178.4-56.1-0.7000111.9N170 A174 A175 G176 T205 S207 F209N170-N172 VanDerWaalsContact C-N 3.27Å; N170-N172 PolarHBondContact O-N 2.96Å; N172-A174 VanDerWaalsContact C-N 3.33Å; N172-A175 PolarHBondContact O-N 3.49Å; N172-G176 PolarHBondContact O-N 2.93Å; N172-T205 VanDerWaalsContact ND2-CB 3.26Å; N172-T205 WeakPolarHBondContact ND2-CB 3.44Å; N172-T205 PolarHBondContact ND2-OG1 3.01Å; N172-T205 PolarHBondContact OD1-OG1 3.14Å; N172-S207 PolarHBondContact ND2-OG 3.2Å; N172-F209 HydrophobicContact CB-CZ 4.45Å; N172-F209 VanDerWaalsContact O-CZ 3.24Å; N172-F209 WeakPolarHBondContact O-CZ 3.25Å
173T93.8Very high93.5Very high6 Ų622.9 Ų22.94%0.03711%0.114CC..Hα-helixtrans-70.9-32.5177.4-60.40000111.2M169 N170 D171 G176 L177 I389 E391M169-T173 HydrophobicContact CE-CG2 3.93Å; N170-T173 PolarHBondContact O-N 3.28Å; D171-T173 VanDerWaalsContact C-N 3.31Å; D171-T173 PolarHBondContact O-N 3.28Å; T173-G176 PolarHBondContact O-N 2.95Å; T173-L177 VanDerWaalsContact O-CB 3.3Å; T173-L177 WeakPolarHBondContact O-CB 3.2Å; T173-L177 PolarHBondContact O-N 2.94Å; T173-I389 HydrophobicContact CG2-CG2 3.66Å; T173-E391 WeakPolarHBondContact CB-OE1 3.49Å; T173-E391 HydrophobicContact CG2-CG 4.39Å; T173-E391 WeakPolarHBondContact CG2-OE1 3.19Å; T173-E391 PolarHBondContact OG1-OE1 2.73Å
174A95.1Very high92.9Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-66.1-44171.800000111.1M169 N170 D171 N172 G176 L177 N178 I367 G370 A371M169-A174 VanDerWaalsContact CE-CA 3.49Å; M169-A174 HydrophobicContact CE-CB 3.95Å; M169-A174 HydrophobicContact CG-CB 4.27Å; M169-A174 HydrophobicContact SD-CB 3.77Å; N170-A174 PolarHBondContact O-N 3.49Å; D171-A174 WeakPolarHBondContact O-CB 3.47Å; D171-A174 PolarHBondContact O-N 3.14Å; D171-A174 VanDerWaalsContact O-N 3.13Å; N172-A174 VanDerWaalsContact C-N 3.33Å; A174-G176 PolarHBondContact O-N 3.1Å; A174-L177 PolarHBondContact O-N 2.86Å; A174-N178 PolarHBondContact O-N 3.17Å; A174-I367 HydrophobicContact CB-CG2 4.05Å; A174-I367 WeakPolarHBondContact CB-O 3.47Å; A174-G370 WeakPolarHBondContact O-CA 3.46Å; A174-A371 HydrophobicContact CB-CB 4.33Å
175A94.6Very high92.4Very high2 Ų229.3 Ų29.32%0.01714%0.141CC..Hα-helixtrans-59.3-45.4172.400000112D171 N172 L177 N178 Y179 I196 M335 L361 I367D171-A175 PolarHBondContact O-N 2.99Å; N172-A175 PolarHBondContact O-N 3.49Å; A175-L177 PolarHBondContact O-N 2.94Å; A175-N178 WeakPolarHBondContact O-CB 3.5Å; A175-N178 PolarHBondContact O-N 3.21Å; A175-Y179 PolarHBondContact O-N 3.35Å; A175-I196 HydrophobicContact CB-CD1 4.11Å; A175-I196 HydrophobicContact CB-CG2 4.5Å; A175-M335 HydrophobicContact CB-CE 4.12Å; A175-M335 HydrophobicContact CB-CG 4.4Å; A175-L361 HydrophobicContact CB-CD1 4.43Å; A175-I367 HydrophobicContact CB-CG1 4.16Å
176G93.2Very high91.9Very high11 Ų1132.8 Ų32.811%0.11316%0.156CC..Hα-helixtrans-64.1-36.9176.800000113.7N172 T173 A174 G180 I196N172-G176 PolarHBondContact O-N 2.93Å; T173-G176 PolarHBondContact O-N 2.95Å; A174-G176 PolarHBondContact O-N 3.1Å; G176-G180 PolarHBondContact O-N 3.43Å; G176-I196 VanDerWaalsContact CA-CD1 3.46Å
177L93.1Very high91.3Very high4 Ų432 Ų322%0.02115%0.151CC..Hα-helixtrans-65.3-42.4172.917760.7000111.6M169 T173 A174 A175 G180 M181 G370 Y373 F374 F387 I389M169-L177 HydrophobicContact CE-CB 4.22Å; M169-L177 HydrophobicContact CE-CD2 3.76Å; T173-L177 VanDerWaalsContact O-CB 3.3Å; T173-L177 WeakPolarHBondContact O-CB 3.2Å; T173-L177 PolarHBondContact O-N 2.94Å; A174-L177 PolarHBondContact O-N 2.86Å; A175-L177 PolarHBondContact O-N 2.94Å; L177-G180 PolarHBondContact O-N 3.04Å; L177-M181 HydrophobicContact CD1-CE 4.4Å; L177-M181 VanDerWaalsContact O-CB 3.28Å; L177-M181 WeakPolarHBondContact O-CB 3.32Å; L177-M181 PolarHBondContact O-N 2.85Å; L177-G370 VanDerWaalsContact CD2-O 3.28Å; L177-G370 WeakPolarHBondContact CD2-O 3.19Å; L177-Y373 HydrophobicContact CD1-CD1 4.1Å; L177-Y373 HydrophobicContact CD1-CE1 4.45Å; L177-Y373 HydrophobicContact CD2-CD1 3.93Å; L177-Y373 HydrophobicContact CD2-CG 4.45Å; L177-Y373 HydrophobicContact CG-CD1 4.21Å; L177-F374 HydrophobicContact CD2-CB 4.01Å; L177-F387 HydrophobicContact CD1-CB 4.41Å; L177-F387 HydrophobicContact CD1-CD1 3.47Å; L177-F387 VanDerWaalsContact CD1-CD1 3.47Å; L177-F387 HydrophobicContact CD1-CE1 4.01Å; L177-F387 HydrophobicContact CD1-CG 4.15Å; L177-I389 HydrophobicContact CB-CD1 4.18Å; L177-I389 HydrophobicContact CD1-CD1 3.56Å; L177-I389 HydrophobicContact CD1-CG1 3.9Å; L177-I389 HydrophobicContact CD2-CD1 3.4Å; L177-I389 VanDerWaalsContact CD2-CD1 3.4Å; L177-I389 HydrophobicContact CG-CD1 3.89Å
178N93.7Very high90.7Very high18 Ų1836.7 Ų36.710%0.09618%0.176CC..Hα-helixtrans-59.6-49.9176.8-169-96.3000110.6A174 A175 G180 M181 F182 L361 A366 M369A174-N178 PolarHBondContact O-N 3.17Å; A175-N178 WeakPolarHBondContact O-CB 3.5Å; A175-N178 PolarHBondContact O-N 3.21Å; N178-G180 PolarHBondContact O-N 3.13Å; N178-M181 PolarHBondContact O-N 3.37Å; N178-F182 WeakPolarHBondContact O-CD2 3.45Å; N178-L361 WeakPolarHBondContact OD1-CD2 3.33Å; N178-A366 HydrophobicContact CB-CB 4.11Å; N178-A366 WeakPolarHBondContact CB-O 3.43Å; N178-M369 WeakPolarHBondContact ND2-CB 3.31Å
179Y92.5Very high89.9Confident8 Ų841.2 Ų41.23%0.03121%0.208CC..Hα-helixtrans-55.9-52.1174.3177.7-98.9000112.3A175 M181 R183 F187 V194 H331 I333 Y360 L361A175-Y179 PolarHBondContact O-N 3.35Å; Y179-M181 VanDerWaalsContact C-N 3.3Å; Y179-M181 PolarHBondContact O-N 3.48Å; Y179-R183 VanDerWaalsContact CE2-NE 3.26Å; Y179-R183 VanDerWaalsContact CZ-CD 3.45Å; Y179-R183 PolarHBondContact O-N 3.41Å; Y179-F187 HydrophobicContact CD1-CZ 4.34Å; Y179-F187 AromaticContact CE1-CZ 3.95Å; Y179-F187 HydrophobicContact CE1-CZ 3.95Å; Y179-V194 HydrophobicContact CD1-CG1 4.29Å; Y179-V194 HydrophobicContact CD1-CG2 4.22Å; Y179-V194 HydrophobicContact CE1-CB 4.48Å; Y179-V194 HydrophobicContact CE1-CG1 4.13Å; Y179-V194 HydrophobicContact CE1-CG2 3.57Å; Y179-H331 PolarHBondContact OH-CD2 2.95Å; Y179-I333 HydrophobicContact CD1-CD1 4.06Å; Y179-I333 HydrophobicContact CD2-CD1 3.21Å; Y179-I333 HydrophobicContact CD2-CG1 4.49Å; Y179-I333 HydrophobicContact CE1-CD1 4.26Å; Y179-I333 HydrophobicContact CE2-CD1 3.41Å; Y179-I333 VanDerWaalsContact CE2-CD1 3.41Å; Y179-I333 HydrophobicContact CE2-CG1 4.4Å; Y179-I333 HydrophobicContact CG-CD1 3.54Å; Y179-Y360 AromaticContact CE2-CD2 3.93Å; Y179-Y360 HydrophobicContact CE2-CD2 3.93Å; Y179-Y360 HydrophobicContact CE2-CG 4.44Å; Y179-L361 HydrophobicContact CD2-CD2 4.44Å
180G90.8Very high89.5Confident2 Ų245 Ų452%0.02123%0.231CC..Hα-helixtrans-64.7-32.3-175.400000113.6G176 L177 N178 R183 R184 F387G176-G180 PolarHBondContact O-N 3.43Å; L177-G180 PolarHBondContact O-N 3.04Å; N178-G180 PolarHBondContact O-N 3.13Å; G180-R183 CarbonylContact O-C 3.53Å; G180-R184 WeakPolarHBondContact O-CA 3.38Å; G180-R184 PolarHBondContact O-N 3.32Å; G180-R184 VanDerWaalsContact O-N 3.08Å; G180-F387 VanDerWaalsContact O-CE2 3.26Å; G180-F387 WeakPolarHBondContact O-CE2 3.45Å
181M88Confident89.2Confident12 Ų1247.4 Ų47.46%0.05925%0.248CC..Hα-helixtrans-67.8-48.3-176.5-177.550.246.200113.5L177 N178 Y179 R183 R184 Y373 F387L177-M181 HydrophobicContact CD1-CE 4.4Å; L177-M181 VanDerWaalsContact O-CB 3.28Å; L177-M181 WeakPolarHBondContact O-CB 3.32Å; L177-M181 PolarHBondContact O-N 2.85Å; N178-M181 PolarHBondContact O-N 3.37Å; Y179-M181 VanDerWaalsContact C-N 3.3Å; Y179-M181 PolarHBondContact O-N 3.48Å; M181-R183 PolarHBondContact O-N 2.93Å; M181-R184 WeakPolarHBondContact O-CG 3.48Å; M181-R184 PolarHBondContact O-N 3.07Å; M181-Y373 HydrophobicContact CE-CD1 4.03Å; M181-Y373 HydrophobicContact CE-CD2 4.22Å; M181-Y373 HydrophobicContact CE-CE1 3.28Å; M181-Y373 HydrophobicContact CE-CE2 3.52Å; M181-Y373 HydrophobicContact CE-CG 4.44Å; M181-Y373 WeakPolarHBondContact CE-OH 3.38Å; M181-Y373 HydrophobicContact CG-CD2 3.95Å; M181-Y373 HydrophobicContact CG-CE2 3.67Å; M181-Y373 HydrophobicContact SD-CD2 4.32Å; M181-Y373 HydrophobicContact SD-CE1 4.35Å; M181-Y373 HydrophobicContact SD-CE2 3.45Å; M181-Y373 WeakPolarHBondContact SD-CE2 3.3Å; M181-Y373 PolarHBondContact SD-OH 3.38Å; M181-F387 HydrophobicContact CE-CB 3.22Å; M181-F387 HydrophobicContact CE-CD2 3.86Å; M181-F387 HydrophobicContact CE-CG 3.65Å
182F84.2Confident89Confident149 Ų14948.2 Ų48.265%0.65425%0.253SS*.Hα-helixtrans-72.3-23.4-177.8-68-71.7000112N178N178-F182 WeakPolarHBondContact O-CD2 3.45Å
183R86.9Confident89Confident53 Ų5348.6 Ų48.620%0.226%0.255CS..THydrogen-bonded Turntrans-104.816.5180-60.6-179.9172.5-120.55.4113.7Y179 G180 M181 N185 E186 F187Y179-R183 VanDerWaalsContact CE2-NE 3.26Å; Y179-R183 VanDerWaalsContact CZ-CD 3.45Å; Y179-R183 PolarHBondContact O-N 3.41Å; G180-R183 CarbonylContact O-C 3.53Å; M181-R183 PolarHBondContact O-N 2.93Å; R183-N185 PolarHBondContact O-N 3.5Å; R183-E186 HydrophobicContact CB-CB 4.39Å; R183-E186 HydrophobicContact CB-CG 4.33Å; R183-E186 WeakPolarHBondContact CD-OE2 3.21Å; R183-E186 WeakPolarHBondContact CG-OE1 3.26Å; R183-E186 IonicContact CZ-OE2 3.62Å; R183-E186 IonicContact NH1-OE2 3.45Å; R183-E186 PolarHBondContact NH1-OE2 3.01Å; R183-E186 VanDerWaalsContact NH1-OE2 3.07Å; R183-E186 WeakPolarHBondContact O-CB 3.36Å; R183-E186 PolarHBondContact O-N 2.84Å; R183-F187 HydrophobicContact CB-CE2 4.12Å; R183-F187 HydrophobicContact CB-CZ 4.4Å; R183-F187 WeakPolarHBondContact O-CD2 3.31Å; R183-F187 WeakPolarHBondContact O-CE2 3.39Å
184R82Confident89Confident93 Ų9348.6 Ų48.635%0.35126%0.255SS..THydrogen-bonded Turntrans-55.3-26.5-174.669.3-172.3174.1-138.8-10.4114.4G180 M181 K385G180-R184 WeakPolarHBondContact O-CA 3.38Å; G180-R184 PolarHBondContact O-N 3.32Å; G180-R184 VanDerWaalsContact O-N 3.08Å; M181-R184 WeakPolarHBondContact O-CG 3.48Å; M181-R184 PolarHBondContact O-N 3.07Å; R184-K385 VanDerWaalsContact CZ-CD 3.43Å; R184-K385 VanDerWaalsContact NH2-CE 3.33Å
185N85.8Confident89Confident144 Ų14448.6 Ų48.677%0.7726%0.255SS*.THydrogen-bonded Turntrans-84.1-13.5179.2-63.4-9.6000112.7R183R183-N185 PolarHBondContact O-N 3.5Å
186E86.6Confident89Confident110 Ų11048.5 Ų48.551%0.51425%0.254SS..THydrogen-bonded Turntrans-82.1-28.1176.8-63.9167.6-14700111.2R183 N188R183-E186 HydrophobicContact CB-CB 4.39Å; R183-E186 HydrophobicContact CB-CG 4.33Å; R183-E186 WeakPolarHBondContact CD-OE2 3.21Å; R183-E186 WeakPolarHBondContact CG-OE1 3.26Å; R183-E186 IonicContact CZ-OE2 3.62Å; R183-E186 IonicContact NH1-OE2 3.45Å; R183-E186 PolarHBondContact NH1-OE2 3.01Å; R183-E186 VanDerWaalsContact NH1-OE2 3.07Å; R183-E186 WeakPolarHBondContact O-CB 3.36Å; R183-E186 PolarHBondContact O-N 2.84Å; E186-N188 PolarHBondContact O-N 3.25Å
187F83.4Confident89.2Confident35 Ų3548 Ų4815%0.15425%0.249CC..  trans-77.4122177.8-55.2-66.4000111.4Y179 R183 T192 K211Y179-F187 HydrophobicContact CD1-CZ 4.34Å; Y179-F187 AromaticContact CE1-CZ 3.95Å; Y179-F187 HydrophobicContact CE1-CZ 3.95Å; R183-F187 HydrophobicContact CB-CE2 4.12Å; R183-F187 HydrophobicContact CB-CZ 4.4Å; R183-F187 WeakPolarHBondContact O-CD2 3.31Å; R183-F187 WeakPolarHBondContact O-CE2 3.39Å; F187-T192 HydrophobicContact CD1-CG2 4.49Å; F187-T192 HydrophobicContact CE1-CG2 4.13Å; F187-K211 HydrophobicContact CB-CG 4.01Å; F187-K211 HydrophobicContact CD1-CB 3.91Å; F187-K211 HydrophobicContact CD1-CG 3.9Å; F187-K211 HydrophobicContact CD2-CG 4.23Å; F187-K211 HydrophobicContact CE1-CB 4.18Å; F187-K211 HydrophobicContact CE1-CG 4.47Å; F187-K211 HydrophobicContact CG-CB 4.31Å; F187-K211 HydrophobicContact CG-CG 3.77Å
188N84.2Confident89.3Confident98 Ų9848.2 Ų48.252%0.52425%0.25SC..  trans-116-157.6173.661.742.5000110.4E186 T190E186-N188 PolarHBondContact O-N 3.25Å; N188-T190 PolarHBondContact O-N 2.97Å; N188-T190 WeakPolarHBondContact OD1-CA 3.37Å; N188-T190 WeakPolarHBondContact OD1-CB 3.46Å; N188-T190 PolarHBondContact OD1-N 3.28Å; N188-T190 PolarHBondContact OD1-OG1 3.36Å
189S82.8Confident89.5Confident99 Ų9947.3 Ų47.369%0.69225%0.245SC*.SBendtrans-68.4-19.8178.2500000114
190T86.7Confident89.7Confident89 Ų8947.7 Ų47.755%0.54625%0.251SS..SBendtrans-74.1124.7176.3-55.40000109.5N188 T192N188-T190 PolarHBondContact O-N 2.97Å; N188-T190 WeakPolarHBondContact OD1-CA 3.37Å; N188-T190 WeakPolarHBondContact OD1-CB 3.46Å; N188-T190 PolarHBondContact OD1-N 3.28Å; N188-T190 PolarHBondContact OD1-OG1 3.36Å; T190-T192 PolarHBondContact O-N 3.27Å
191P88.4Confident90Very high54 Ų5448.3 Ų48.335%0.35126%0.257SS..  trans-60.5127.2177.2-24.334.8000112V210 K211P191-V210 HydrophobicContact CB-CG1 4.06Å; P191-K211 CarbonylContact C-O 3.47Å; P191-K211 WeakPolarHBondContact CA-O 3.41Å
192T90.9Very high90.3Very high24 Ų2447.9 Ų47.915%0.14726%0.255CS..EExtended strand (participates in β ladder)trans-107125.8169.9-510000109F187 T190 V194 V210 K211 D330F187-T192 HydrophobicContact CD1-CG2 4.49Å; F187-T192 HydrophobicContact CE1-CG2 4.13Å; T190-T192 PolarHBondContact O-N 3.27Å; T192-V194 HydrophobicContact CG2-CG2 4.34Å; T192-V210 WeakPolarHBondContact O-CA 3.43Å; T192-K211 PolarHBondContact N-O 3.16Å; T192-K211 PolarHBondContact O-N 2.74Å; T192-D330 WeakPolarHBondContact CA-OD2 3.4Å; T192-D330 HydrophobicContact CG2-CB 4.1Å
193T92.5Very high90.9Very high9 Ų941.5 Ų41.56%0.05523%0.227CC..EExtended strand (participates in β ladder)trans-104.8122.9-179.4-53.20000110.4I208 F209 V210 M324 Q328 I329 D330 H331T193-I208 HydrophobicContact CG2-CG2 3.66Å; T193-F209 CarbonylContact C-O 3.59Å; T193-F209 WeakPolarHBondContact CA-O 3.1Å; T193-V210 HydrophobicContact CG2-CG2 4.06Å; T193-M324 HydrophobicContact CG2-CE 3.55Å; T193-M324 HydrophobicContact CG2-SD 4.16Å; T193-Q328 VanDerWaalsContact CB-O 3.31Å; T193-Q328 WeakPolarHBondContact CB-O 3.46Å; T193-Q328 PolarHBondContact OG1-O 2.9Å; T193-I329 HydrophobicContact CG2-CD1 3.54Å; T193-D330 PolarHBondContact N-OD2 3.34Å; T193-D330 WeakPolarHBondContact O-CA 3.33Å; T193-D330 WeakPolarHBondContact O-CB 3.38Å; T193-D330 PolarHBondContact O-N 3.45Å; T193-H331 PolarHBondContact O-N 2.87Å; T193-H331 VanDerWaalsContact O-N 3.09Å
194V93.5Very high91.4Very high6 Ų639 Ų394%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-120.3123.4-177.4-176.20000108.8Y179 T192 I196 I208 F209 H331 I333Y179-V194 HydrophobicContact CD1-CG1 4.29Å; Y179-V194 HydrophobicContact CD1-CG2 4.22Å; Y179-V194 HydrophobicContact CE1-CB 4.48Å; Y179-V194 HydrophobicContact CE1-CG1 4.13Å; Y179-V194 HydrophobicContact CE1-CG2 3.57Å; T192-V194 HydrophobicContact CG2-CG2 4.34Å; V194-I196 HydrophobicContact CG1-CG1 4.23Å; V194-I208 CarbonylContact O-C 3.43Å; V194-I208 WeakPolarHBondContact O-CA 3.42Å; V194-F209 HydrophobicContact CB-CB 4.43Å; V194-F209 PolarHBondContact N-O 3.15Å; V194-F209 PolarHBondContact O-N 3.33Å; V194-H331 CarbonylContact C-O 3.5Å; V194-H331 WeakPolarHBondContact CA-O 3.4Å; V194-H331 HydrophobicContact CG1-CB 4.32Å; V194-H331 HydrophobicContact CG2-CB 4.33Å; V194-I333 HydrophobicContact CG1-CD1 3.37Å; V194-I333 HydrophobicContact CG1-CG1 3.84Å
195L95Very high92.1Very high0 Ų034.6 Ų34.60%020%0.201CC..EExtended strand (participates in β ladder)trans-99.5119.3169.7-173.5150.8000109.3S207 I208 I315 I329 H331 V332 I333 F352L195-S207 CarbonylContact C-O 3.59Å; L195-S207 WeakPolarHBondContact CA-O 3.46Å; L195-I208 HydrophobicContact CD1-CG1 4.16Å; L195-I208 HydrophobicContact CG-CG1 4.36Å; L195-I315 HydrophobicContact CD1-CG2 3.97Å; L195-I329 HydrophobicContact CB-CD1 4.28Å; L195-I329 HydrophobicContact CB-CG2 3.73Å; L195-I329 HydrophobicContact CD1-CD1 4.44Å; L195-I329 HydrophobicContact CD1-CG1 4.49Å; L195-H331 PolarHBondContact N-O 3.37Å; L195-V332 HydrophobicContact CD2-CG1 4.36Å; L195-V332 CarbonylContact O-C 3.48Å; L195-V332 WeakPolarHBondContact O-CA 3.33Å; L195-I333 PolarHBondContact O-N 3.42Å; L195-F352 HydrophobicContact CD1-CE1 4.19Å; L195-F352 HydrophobicContact CD1-CZ 3.98Å; L195-F352 HydrophobicContact CD2-CZ 3.77Å; L195-F352 HydrophobicContact CG-CZ 4.44Å
196I95.5Very high92.5Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-99.1119.3170.8-56.1-173.3000108.3A175 G176 V194 A206 S207 F209 I333 M335A175-I196 HydrophobicContact CB-CD1 4.11Å; A175-I196 HydrophobicContact CB-CG2 4.5Å; G176-I196 VanDerWaalsContact CA-CD1 3.46Å; V194-I196 HydrophobicContact CG1-CG1 4.23Å; I196-A206 CarbonylContact O-C 3.57Å; I196-A206 WeakPolarHBondContact O-CA 3.41Å; I196-S207 PolarHBondContact N-O 2.84Å; I196-S207 PolarHBondContact O-N 3.3Å; I196-F209 HydrophobicContact CB-CE2 4.19Å; I196-F209 HydrophobicContact CD1-CD2 3.99Å; I196-F209 HydrophobicContact CD1-CE2 3.59Å; I196-F209 HydrophobicContact CD1-CZ 4.35Å; I196-F209 HydrophobicContact CG1-CD2 4.02Å; I196-F209 HydrophobicContact CG1-CE2 3.82Å; I196-I333 WeakPolarHBondContact CA-O 3.35Å; I196-I333 HydrophobicContact CG1-CB 4.25Å; I196-I333 HydrophobicContact CG1-CD1 4.35Å; I196-M335 HydrophobicContact CG2-CB 4.15Å; I196-M335 HydrophobicContact CG2-CG 3.58Å
197Y96.4Very high92.9Very high0 Ų022.7 Ų22.70%014%0.141CC..EExtended strand (participates in β ladder)trans-106.1105.7173.8-170.4-89.7000109.1M199 T204 T205 A206 I311 I315 I333 M335 T339 L348Y197-M199 HydrophobicContact CE1-CB 4.11Å; Y197-M199 HydrophobicContact CE1-CE 4.13Å; Y197-T204 HydrophobicContact CE1-CG2 3.9Å; Y197-T204 HydrophobicContact CE2-CG2 3.83Å; Y197-T204 VanDerWaalsContact CZ-CG2 3.42Å; Y197-T204 WeakPolarHBondContact OH-CG2 3.04Å; Y197-T205 WeakPolarHBondContact CA-O 3.48Å; Y197-A206 HydrophobicContact CD2-CB 4.2Å; Y197-I311 WeakPolarHBondContact CE2-O 3.46Å; Y197-I311 WeakPolarHBondContact OH-CA 3.49Å; Y197-I311 WeakPolarHBondContact OH-CG2 3.16Å; Y197-I311 PolarHBondContact OH-O 3.49Å; Y197-I315 HydrophobicContact CD2-CD1 3.72Å; Y197-I315 HydrophobicContact CD2-CG1 3.6Å; Y197-I315 HydrophobicContact CE2-CD1 3.69Å; Y197-I315 HydrophobicContact CE2-CG1 3.71Å; Y197-I333 PolarHBondContact N-O 2.84Å; Y197-M335 PolarHBondContact O-N 3.24Å; Y197-T339 HydrophobicContact CD1-CG2 4.11Å; Y197-T339 HydrophobicContact CE1-CG2 4.45Å; Y197-L348 HydrophobicContact CD1-CD1 3.88Å; Y197-L348 HydrophobicContact CD1-CD2 4.05Å; Y197-L348 HydrophobicContact CD2-CD2 4.13Å; Y197-L348 HydrophobicContact CE1-CD1 3.94Å; Y197-L348 HydrophobicContact CE1-CD2 3.95Å; Y197-L348 HydrophobicContact CE1-CG 4.49Å; Y197-L348 HydrophobicContact CE2-CD2 4.02Å; Y197-L348 HydrophobicContact CG-CD2 4.12Å
198D96.3Very high93.4Very high9 Ų921 Ų215%0.04813%0.133CC..EExtended strand (participates in β ladder)trans-104.5110.7179.4173.737.2000110.7K203 T204 T205 M335 G336D198-K203 IonicContact OD2-NZ 2.66Å; D198-K203 PolarHBondContact OD2-NZ 3.44Å; D198-K203 VanDerWaalsContact OD2-NZ 3.08Å; D198-T204 CarbonylContact O-C 3.56Å; D198-T204 WeakPolarHBondContact O-CA 3.44Å; D198-T205 PolarHBondContact N-O 3.03Å; D198-T205 PolarHBondContact O-N 3.4Å; D198-M335 WeakPolarHBondContact CA-O 3.13Å; D198-M335 HydrophobicContact CB-CB 3.8Å; D198-G336 VanDerWaalsContact OD1-CA 3.25Å; D198-G336 WeakPolarHBondContact OD1-CA 3.32Å; D198-G336 PolarHBondContact OD1-N 3.16Å
199M97.4Very high93.7Very high0 Ų017.5 Ų17.50%011%0.113CC..EExtended strand (participates in β ladder)trans-110.396.3168.7-170.2-177.2-7800109.4Y197 T204 L224 F229 I311 M335 G336 A337 A338 T339 V344Y197-M199 HydrophobicContact CE1-CB 4.11Å; Y197-M199 HydrophobicContact CE1-CE 4.13Å; M199-T204 HydrophobicContact CB-CG2 4.45Å; M199-T204 HydrophobicContact CE-CG2 4.32Å; M199-T204 WeakPolarHBondContact CE-OG1 3.46Å; M199-T204 WeakPolarHBondContact CG-OG1 3.33Å; M199-L224 HydrophobicContact CE-CD1 4.4Å; M199-L224 HydrophobicContact CE-CD2 3.83Å; M199-L224 HydrophobicContact CE-CG 3.89Å; M199-F229 HydrophobicContact SD-CE2 3.94Å; M199-F229 HydrophobicContact SD-CZ 4.27Å; M199-I311 HydrophobicContact CE-CG1 3.99Å; M199-M335 PolarHBondContact N-O 3.38Å; M199-G336 CarbonylContact O-C 3.52Å; M199-G336 VanDerWaalsContact O-CA 3.32Å; M199-G336 WeakPolarHBondContact O-CA 3.46Å; M199-A337 PolarHBondContact O-N 3.38Å; M199-A338 HydrophobicContact CB-CB 4.3Å; M199-A338 HydrophobicContact CG-CB 3.68Å; M199-A338 WeakPolarHBondContact O-CB 3.4Å; M199-A338 PolarHBondContact O-N 3.38Å; M199-A338 VanDerWaalsContact O-N 3.07Å; M199-A338 HydrophobicContact SD-CB 3.84Å; M199-T339 HydrophobicContact CB-CG2 3.73Å; M199-V344 HydrophobicContact CE-CG1 4.17Å; M199-V344 HydrophobicContact SD-CG1 4.18Å; M199-V344 HydrophobicContact SD-CG2 4.21Å
200G96Very high93.9Very high15 Ų1513.5 Ų13.516%0.1559%0.085CC..  trans-87.8-153.1-179.200000112.9K203 G225 G226G200-K203 PolarHBondContact N-O 3.29Å; G200-G225 WeakPolarHBondContact O-CA 3.32Å; G200-G226 PolarHBondContact O-N 3.02Å
201A96.9Very high93.7Very high16 Ų1612.1 Ų12.113%0.1327%0.072CC..SBendtrans-76.1-46.2-179.800000113.2Q8 F64 G225 G226 L227Q8-A201 HydrophobicContact CB-CB 3.53Å; F64-A201 HydrophobicContact CE1-CB 4Å; F64-A201 HydrophobicContact CZ-CB 4.29Å; A201-G225 CarbonylContact O-C 3.54Å; A201-G225 VanDerWaalsContact O-C 3.27Å; A201-G226 PolarHBondContact O-N 2.89Å; A201-L227 VanDerWaalsContact O-CB 3.32Å; A201-L227 WeakPolarHBondContact O-CB 3.47Å; A201-L227 PolarHBondContact O-N 3.01Å
202S95.3Very high92.7Very high3 Ų312.7 Ų12.72%0.0218%0.075CC..SBendtrans-104.4-24.6-178.2630000114.8S7 D67 R222S7-S202 PolarHBondContact OG-OG 3.26Å; D67-S202 PolarHBondContact OD1-OG 3.15Å; S202-R222 CarbonylContact O-C 3.58Å
203K96.2Very high91.1Very high14 Ų1419.9 Ų19.96%0.06110%0.1CC..  trans-136.7158-167.862.3169.4-177.869.60113.5P143 F145 D171 D198 G200 T205 D221 L224P143-K203 HydrophobicContact CB-CD 3.9Å; P143-K203 HydrophobicContact CG-CD 4.18Å; F145-K203 HydrophobicContact CD1-CD 4.4Å; F145-K203 HydrophobicContact CE1-CB 3.93Å; F145-K203 HydrophobicContact CE1-CD 3.33Å; F145-K203 HydrophobicContact CE1-CG 4.22Å; F145-K203 HydrophobicContact CZ-CB 4.15Å; F145-K203 HydrophobicContact CZ-CD 3.54Å; F145-K203 HydrophobicContact CZ-CG 4.42Å; D171-K203 WeakPolarHBondContact OD2-CE 3.4Å; D171-K203 IonicContact OD2-NZ 2.87Å; D171-K203 PolarHBondContact OD2-NZ 3.43Å; D198-K203 IonicContact OD2-NZ 2.66Å; D198-K203 PolarHBondContact OD2-NZ 3.44Å; D198-K203 VanDerWaalsContact OD2-NZ 3.08Å; G200-K203 PolarHBondContact N-O 3.29Å; K203-T205 HydrophobicContact CD-CG2 4.34Å; K203-D221 WeakPolarHBondContact CA-O 3.15Å; K203-L224 CarbonylContact C-O 3.45Å; K203-L224 WeakPolarHBondContact CA-O 3.44Å; K203-L224 PolarHBondContact N-O 3.5Å
204T97.2Very high89.6Confident0 Ų024.8 Ų24.80%012%0.122CC..EExtended strand (participates in β ladder)trans-117.7140.4166.9-61.40000109.8Y197 D198 M199 Y220 D221 L224 P314Y197-T204 HydrophobicContact CE1-CG2 3.9Å; Y197-T204 HydrophobicContact CE2-CG2 3.83Å; Y197-T204 VanDerWaalsContact CZ-CG2 3.42Å; Y197-T204 WeakPolarHBondContact OH-CG2 3.04Å; D198-T204 CarbonylContact O-C 3.56Å; D198-T204 WeakPolarHBondContact O-CA 3.44Å; M199-T204 HydrophobicContact CB-CG2 4.45Å; M199-T204 HydrophobicContact CE-CG2 4.32Å; M199-T204 WeakPolarHBondContact CE-OG1 3.46Å; M199-T204 WeakPolarHBondContact CG-OG1 3.33Å; T204-Y220 CarbonylContact O-C 3.53Å; T204-Y220 WeakPolarHBondContact O-CA 3.19Å; T204-Y220 WeakPolarHBondContact O-CB 3.18Å; T204-D221 PolarHBondContact N-O 3.09Å; T204-D221 PolarHBondContact O-N 2.93Å; T204-L224 HydrophobicContact CG2-CD2 4.36Å; T204-L224 PolarHBondContact N-O 2.71Å; T204-L224 WeakPolarHBondContact OG1-CD2 3.47Å; T204-L224 WeakPolarHBondContact OG1-CG 3.27Å; T204-L224 PolarHBondContact OG1-O 3.39Å; T204-L224 VanDerWaalsContact OG1-O 3.06Å; T204-P314 HydrophobicContact CG2-CG 4.04Å
205T96.1Very high87.9Confident2 Ų226.3 Ų26.31%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-137.5146.2170.664.60000111F145 N172 Y197 D198 K203 L219F145-T205 HydrophobicContact CD1-CG2 4.3Å; F145-T205 HydrophobicContact CE1-CG2 4.41Å; N172-T205 VanDerWaalsContact ND2-CB 3.26Å; N172-T205 WeakPolarHBondContact ND2-CB 3.44Å; N172-T205 PolarHBondContact ND2-OG1 3.01Å; N172-T205 PolarHBondContact OD1-OG1 3.14Å; Y197-T205 WeakPolarHBondContact CA-O 3.48Å; D198-T205 PolarHBondContact N-O 3.03Å; D198-T205 PolarHBondContact O-N 3.4Å; K203-T205 HydrophobicContact CD-CG2 4.34Å; T205-L219 CarbonylContact C-O 3.52Å; T205-L219 VanDerWaalsContact CA-O 3.29Å; T205-L219 WeakPolarHBondContact CA-O 3.33Å
206A95.6Very high86.6Confident0 Ų027.2 Ų27.20%014%0.137CC..EExtended strand (participates in β ladder)trans-116.5131.5166.100000108I196 Y197 R218 L219 P314 I315 A318I196-A206 CarbonylContact O-C 3.57Å; I196-A206 WeakPolarHBondContact O-CA 3.41Å; Y197-A206 HydrophobicContact CD2-CB 4.2Å; A206-R218 VanDerWaalsContact O-CA 3.28Å; A206-R218 WeakPolarHBondContact O-CA 3.05Å; A206-L219 PolarHBondContact N-O 3.32Å; A206-L219 PolarHBondContact O-N 2.93Å; A206-P314 HydrophobicContact CB-CB 4.02Å; A206-I315 HydrophobicContact CB-CG1 4.1Å; A206-A318 HydrophobicContact CB-CB 4.13Å
207S94.2Very high85.7Confident3 Ų328.7 Ų28.72%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-135130.4-179.7-65.10000111.7N172 L195 I196 F217 R218N172-S207 PolarHBondContact ND2-OG 3.2Å; L195-S207 CarbonylContact C-O 3.59Å; L195-S207 WeakPolarHBondContact CA-O 3.46Å; I196-S207 PolarHBondContact N-O 2.84Å; I196-S207 PolarHBondContact O-N 3.3Å; S207-F217 CarbonylContact C-O 3.53Å; S207-F217 WeakPolarHBondContact CA-O 3.21Å; S207-R218 VanDerWaalsContact OG-CB 3.3Å; S207-R218 WeakPolarHBondContact OG-CB 3.3Å
208I93.7Very high85Confident0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-106.2124.3-177.6-60171.6000108.2T193 V194 L195 V210 N216 F217 A318 L319 A322 M324 I329T193-I208 HydrophobicContact CG2-CG2 3.66Å; V194-I208 CarbonylContact O-C 3.43Å; V194-I208 WeakPolarHBondContact O-CA 3.42Å; L195-I208 HydrophobicContact CD1-CG1 4.16Å; L195-I208 HydrophobicContact CG-CG1 4.36Å; I208-V210 HydrophobicContact CG2-CG2 4.33Å; I208-N216 CarbonylContact O-C 3.55Å; I208-N216 WeakPolarHBondContact O-CA 3.27Å; I208-F217 PolarHBondContact N-O 3.12Å; I208-F217 PolarHBondContact O-N 3.39Å; I208-A318 HydrophobicContact CD1-CB 4.07Å; I208-A318 HydrophobicContact CG1-CB 4.37Å; I208-L319 HydrophobicContact CD1-CD2 3.82Å; I208-L319 HydrophobicContact CD1-CG 4.14Å; I208-A322 HydrophobicContact CD1-CB 3.91Å; I208-M324 HydrophobicContact CG2-SD 4Å; I208-I329 HydrophobicContact CD1-CD1 4.35Å; I208-I329 HydrophobicContact CG1-CD1 4.41Å; I208-I329 HydrophobicContact CG2-CD1 4.29Å
209F91.4Very high84.7Confident24 Ų2429.1 Ų29.111%0.10514%0.144CC..EExtended strand (participates in β ladder)trans-115.2132.1177.3-60.1-96.1000108.9N172 T193 V194 I196 N216N172-F209 HydrophobicContact CB-CZ 4.45Å; N172-F209 VanDerWaalsContact O-CZ 3.24Å; N172-F209 WeakPolarHBondContact O-CZ 3.25Å; T193-F209 CarbonylContact C-O 3.59Å; T193-F209 WeakPolarHBondContact CA-O 3.1Å; V194-F209 HydrophobicContact CB-CB 4.43Å; V194-F209 PolarHBondContact N-O 3.15Å; V194-F209 PolarHBondContact O-N 3.33Å; I196-F209 HydrophobicContact CB-CE2 4.19Å; I196-F209 HydrophobicContact CD1-CD2 3.99Å; I196-F209 HydrophobicContact CD1-CE2 3.59Å; I196-F209 HydrophobicContact CD1-CZ 4.35Å; I196-F209 HydrophobicContact CG1-CD2 4.02Å; I196-F209 HydrophobicContact CG1-CE2 3.82Å; F209-N216 HydrophobicContact CD1-CB 3.95Å; F209-N216 WeakPolarHBondContact CD1-ND2 3.33Å; F209-N216 WeakPolarHBondContact CD1-OD1 3.23Å; F209-N216 HydrophobicContact CE1-CB 3.88Å; F209-N216 VanDerWaalsContact CE1-ND2 3.29Å; F209-N216 WeakPolarHBondContact CE1-ND2 3.45Å
210V87.7Confident84.6Confident16 Ų1629.6 Ų29.610%0.09715%0.146CC..EExtended strand (participates in β ladder)trans-123.3109.2177.9-178.30000109.8P191 T192 T193 I208 R213 H214 M324P191-V210 HydrophobicContact CB-CG1 4.06Å; T192-V210 WeakPolarHBondContact O-CA 3.43Å; T193-V210 HydrophobicContact CG2-CG2 4.06Å; I208-V210 HydrophobicContact CG2-CG2 4.33Å; V210-R213 PolarHBondContact O-N 3.3Å; V210-H214 HydrophobicContact CB-CB 3.97Å; V210-H214 HydrophobicContact CG1-CB 4.26Å; V210-H214 HydrophobicContact CG2-CB 4.45Å; V210-H214 PolarHBondContact O-N 2.71Å; V210-M324 HydrophobicContact CG2-SD 4.21Å
211K82.4Confident84.5Confident60 Ų6030 Ų3026%0.26115%0.145SC..EExtended strand (participates in β ladder)trans-97.8132.9175.4-170.473.7-171.3174.60109.2F187 P191 T192 F387F187-K211 HydrophobicContact CB-CG 4.01Å; F187-K211 HydrophobicContact CD1-CB 3.91Å; F187-K211 HydrophobicContact CD1-CG 3.9Å; F187-K211 HydrophobicContact CD2-CG 4.23Å; F187-K211 HydrophobicContact CE1-CB 4.18Å; F187-K211 HydrophobicContact CE1-CG 4.47Å; F187-K211 HydrophobicContact CG-CB 4.31Å; F187-K211 HydrophobicContact CG-CG 3.77Å; P191-K211 CarbonylContact C-O 3.47Å; P191-K211 WeakPolarHBondContact CA-O 3.41Å; T192-K211 PolarHBondContact N-O 3.16Å; T192-K211 PolarHBondContact O-N 2.74Å; K211-F387 HydrophobicContact CD-CZ 4.37Å
212P67Low84.4Confident66 Ų6629.7 Ų29.743%0.42914%0.14SC..THydrogen-bonded Turncis-94.6-1.65.533-30000115.4
213R57.3Low84.3Confident174 Ų17430.3 Ų30.366%0.65714%0.142SC*.THydrogen-bonded Turntrans-103.9-25.3-152.2-68.2-171.4173.3173.2-2.6118V210V210-R213 PolarHBondContact O-N 3.3Å
214H60.6Low84.3Confident112 Ų11229.7 Ų29.752%0.51914%0.139SC..EExtended strand (participates in β ladder)trans-133.9154.2-160.7-66.4-70.2000117V210V210-H214 HydrophobicContact CB-CB 3.97Å; V210-H214 HydrophobicContact CG1-CB 4.26Å; V210-H214 HydrophobicContact CG2-CB 4.45Å; V210-H214 PolarHBondContact O-N 2.71Å
215P56.7Low84.3Confident39 Ų3929.7 Ų29.725%0.25314%0.139SC..EExtended strand (participates in β ladder)trans-50.7146.6175.114.7-29.5000113.7F217 V392P215-F217 HydrophobicContact CB-CE2 4.44Å; P215-F217 HydrophobicContact CB-CZ 4.3Å; P215-F217 HydrophobicContact CG-CE1 4.45Å; P215-F217 HydrophobicContact CG-CE2 4Å; P215-F217 HydrophobicContact CG-CZ 3.73Å; P215-F217 WeakPolarHBondContact O-CD2 3.02Å; P215-F217 WeakPolarHBondContact O-CE2 3.44Å; P215-F217 PolarHBondContact O-N 3.14Å; P215-V392 VanDerWaalsContact CA-CG1 3.46Å; P215-V392 HydrophobicContact CB-CB 3.97Å; P215-V392 HydrophobicContact CB-CG1 3.1Å
216N68.4Low84.4Confident19 Ų1929.7 Ų29.710%0.10214%0.14CC..EExtended strand (participates in β ladder)trans-77.4112.4172.5-52.8-26.1000111.5I208 F209 K390 V392I208-N216 CarbonylContact O-C 3.55Å; I208-N216 WeakPolarHBondContact O-CA 3.27Å; F209-N216 HydrophobicContact CD1-CB 3.95Å; F209-N216 WeakPolarHBondContact CD1-ND2 3.33Å; F209-N216 WeakPolarHBondContact CD1-OD1 3.23Å; F209-N216 HydrophobicContact CE1-CB 3.88Å; F209-N216 VanDerWaalsContact CE1-ND2 3.29Å; F209-N216 WeakPolarHBondContact CE1-ND2 3.45Å; N216-K390 PolarHBondContact ND2-O 3.34Å; N216-V392 HydrophobicContact CB-CG1 4.27Å; N216-V392 VanDerWaalsContact O-CG1 3.3Å; N216-V392 WeakPolarHBondContact O-CG1 3.37Å; N216-V392 WeakPolarHBondContact O-CG2 3.45Å
217F76Confident84.5Confident31 Ų3130.1 Ų30.114%0.13614%0.143CC..EExtended strand (participates in β ladder)trans-92.5146.1177.4-61.2-80.4000111.3S207 I208 P215 M321 A322S207-F217 CarbonylContact C-O 3.53Å; S207-F217 WeakPolarHBondContact CA-O 3.21Å; I208-F217 PolarHBondContact N-O 3.12Å; I208-F217 PolarHBondContact O-N 3.39Å; P215-F217 HydrophobicContact CB-CE2 4.44Å; P215-F217 HydrophobicContact CB-CZ 4.3Å; P215-F217 HydrophobicContact CG-CE1 4.45Å; P215-F217 HydrophobicContact CG-CE2 4Å; P215-F217 HydrophobicContact CG-CZ 3.73Å; P215-F217 WeakPolarHBondContact O-CD2 3.02Å; P215-F217 WeakPolarHBondContact O-CE2 3.44Å; P215-F217 PolarHBondContact O-N 3.14Å; F217-M321 HydrophobicContact CD1-CB 4.42Å; F217-M321 HydrophobicContact CD1-CE 3.99Å; F217-M321 HydrophobicContact CD1-CG 3.74Å; F217-M321 WeakPolarHBondContact CD1-O 3.38Å; F217-M321 HydrophobicContact CD1-SD 4.14Å; F217-M321 HydrophobicContact CE1-CG 4.43Å; F217-M321 WeakPolarHBondContact CE1-O 3.22Å; F217-A322 HydrophobicContact CB-CB 3.99Å; F217-A322 VanDerWaalsContact CD2-CA 3.48Å; F217-A322 HydrophobicContact CD2-CB 3.38Å; F217-A322 HydrophobicContact CE2-CB 3.95Å; F217-A322 HydrophobicContact CG-CB 3.76Å
218R83.4Confident84.7Confident14 Ų1430.3 Ų30.35%0.05314%0.143CC..EExtended strand (participates in β ladder)trans-152.8135.7-17262.6-176.9-175.2-116.97.7114.5A144 N170 A206 S207 E391 F394A144-R218 VanDerWaalsContact O-CZ 3.29Å; A144-R218 PolarHBondContact O-NE 3.35Å; A144-R218 PolarHBondContact O-NH2 2.75Å; N170-R218 PolarHBondContact ND2-NH1 2.88Å; A206-R218 VanDerWaalsContact O-CA 3.28Å; A206-R218 WeakPolarHBondContact O-CA 3.05Å; S207-R218 VanDerWaalsContact OG-CB 3.3Å; S207-R218 WeakPolarHBondContact OG-CB 3.3Å; R218-E391 IonicContact CZ-OE2 3.82Å; R218-E391 IonicContact NH1-OE2 3.65Å; R218-E391 PolarHBondContact NH1-OE2 2.86Å; R218-F394 HydrophobicContact CG-CD2 4.19Å; R218-F394 HydrophobicContact CG-CG 4.36Å; R218-F394 WeakPolarHBondContact O-CE2 3.46Å
219L89.9Confident84.9Confident3 Ų330.3 Ų30.32%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-135.8164.2175-82.8-67.4000110.5T205 A206 Q317 A318 M321 F394T205-L219 CarbonylContact C-O 3.52Å; T205-L219 VanDerWaalsContact CA-O 3.29Å; T205-L219 WeakPolarHBondContact CA-O 3.33Å; A206-L219 PolarHBondContact N-O 3.32Å; A206-L219 PolarHBondContact O-N 2.93Å; L219-Q317 HydrophobicContact CB-CB 3.86Å; L219-Q317 HydrophobicContact CD1-CB 3.98Å; L219-Q317 HydrophobicContact CD2-CB 4.45Å; L219-Q317 WeakPolarHBondContact CD2-O 3.47Å; L219-Q317 HydrophobicContact CG-CB 3.46Å; L219-Q317 VanDerWaalsContact CG-CB 3.46Å; L219-A318 HydrophobicContact CB-CB 4.24Å; L219-A318 HydrophobicContact CD2-CB 4.29Å; L219-M321 HydrophobicContact CD2-CB 3.75Å; L219-M321 HydrophobicContact CD2-CG 4.29Å; L219-M321 HydrophobicContact CD2-SD 3.62Å; L219-F394 HydrophobicContact CD1-CE2 4.14Å; L219-F394 HydrophobicContact CD1-CZ 3.95Å; L219-F394 HydrophobicContact CD2-CE2 4.18Å
220Y93.8Very high85.3Confident10 Ų1029.2 Ų29.24%0.03914%0.138CC..EExtended strand (participates in β ladder)trans-153158.4-163.866.9-80.4000114.5F145 T204 R222 F394 L455 Q459F145-Y220 HydrophobicContact CB-CD1 3.55Å; F145-Y220 HydrophobicContact CB-CD2 3.9Å; F145-Y220 HydrophobicContact CB-CE1 3.59Å; F145-Y220 HydrophobicContact CB-CE2 3.9Å; F145-Y220 HydrophobicContact CB-CG 3.73Å; F145-Y220 HydrophobicContact CD1-CD1 4.09Å; F145-Y220 AromaticContact CD1-CD2 3.33Å; F145-Y220 HydrophobicContact CD1-CD2 3.33Å; F145-Y220 HydrophobicContact CD1-CE2 4.03Å; F145-Y220 AromaticContact CD1-CG 3.36Å; F145-Y220 HydrophobicContact CD1-CG 3.36Å; F145-Y220 HydrophobicContact CD2-CE2 4.49Å; F145-Y220 AromaticContact CE1-CD2 3.84Å; F145-Y220 HydrophobicContact CE1-CD2 3.84Å; F145-Y220 HydrophobicContact CE1-CG 4.18Å; F145-Y220 HydrophobicContact CG-CD1 4.21Å; F145-Y220 AromaticContact CG-CD2 3.69Å; F145-Y220 HydrophobicContact CG-CD2 3.69Å; F145-Y220 HydrophobicContact CG-CE1 4.43Å; F145-Y220 AromaticContact CG-CE2 3.9Å; F145-Y220 HydrophobicContact CG-CE2 3.9Å; F145-Y220 AromaticContact CG-CG 3.85Å; F145-Y220 HydrophobicContact CG-CG 3.85Å; T204-Y220 CarbonylContact O-C 3.53Å; T204-Y220 WeakPolarHBondContact O-CA 3.19Å; T204-Y220 WeakPolarHBondContact O-CB 3.18Å; Y220-R222 HydrophobicContact CD2-CB 4.43Å; Y220-F394 HydrophobicContact CD1-CE1 4.24Å; Y220-F394 HydrophobicContact CD1-CZ 4.39Å; Y220-F394 AromaticContact CE1-CE1 3.72Å; Y220-F394 HydrophobicContact CE1-CE1 3.72Å; Y220-F394 HydrophobicContact CE1-CZ 4.04Å; Y220-L455 HydrophobicContact CE1-CD2 3.99Å; Y220-Q459 HydrophobicContact CE2-CG 4.03Å; Y220-Q459 PolarHBondContact O-NE2 3.43Å
221D95Very high85.8Confident24 Ų2428.5 Ų28.513%0.12813%0.134CC..EExtended strand (participates in β ladder)trans-126.4114.4162.1-170.5-25.2000108.4K203 T204 Y223 L224 R310 P314K203-D221 WeakPolarHBondContact CA-O 3.15Å; T204-D221 PolarHBondContact N-O 3.09Å; T204-D221 PolarHBondContact O-N 2.93Å; D221-Y223 PolarHBondContact O-N 3.45Å; D221-Y223 PolarHBondContact OD1-N 3.05Å; D221-L224 HydrophobicContact CB-CB 3.83Å; D221-L224 HydrophobicContact CB-CD2 4.47Å; D221-L224 PolarHBondContact OD1-N 3.16Å; D221-R310 IonicContact OD1-NH2 3.21Å; D221-R310 PolarHBondContact OD1-NH2 2.96Å; D221-R310 IonicContact OD2-CZ 3.16Å; D221-R310 VanDerWaalsContact OD2-CZ 3.27Å; D221-R310 IonicContact OD2-NE 2.79Å; D221-R310 PolarHBondContact OD2-NE 2.87Å; D221-R310 IonicContact OD2-NH2 4Å; D221-R310 PolarHBondContact OD2-NH2 3.5Å; D221-P314 HydrophobicContact CB-CG 4.27Å
222R93.9Very high86.5Confident9 Ų928.1 Ų28.13%0.03413%0.131CC..THydrogen-bonded Turntrans-73.7-10.9-178.5-173-177.9-70-108.88.2112.5F145 E150 S202 Y220F145-R222 HydrophobicContact CE2-CG 4.48Å; F145-R222 VanDerWaalsContact CE2-NH2 3.25Å; F145-R222 HydrophobicContact CZ-CB 4.42Å; F145-R222 HydrophobicContact CZ-CG 4.14Å; E150-R222 IonicContact OE1-CZ 3.08Å; E150-R222 VanDerWaalsContact OE1-CZ 3.27Å; E150-R222 IonicContact OE1-NH1 2.7Å; E150-R222 PolarHBondContact OE1-NH1 3.02Å; E150-R222 IonicContact OE1-NH2 3.96Å; E150-R222 PolarHBondContact OE1-NH2 3.07Å; E150-R222 IonicContact OE2-NH2 2.97Å; S202-R222 CarbonylContact O-C 3.58Å; Y220-R222 HydrophobicContact CD2-CB 4.43Å
223Y94.3Very high88Confident17 Ų1725 Ų257%0.06711%0.11CC..THydrogen-bonded Turntrans-124.323.2-171.4-49.1-78.8000111.8V77 E80 D221 R310 H458 S462V77-Y223 VanDerWaalsContact CG2-OH 3.3Å; V77-Y223 WeakPolarHBondContact CG2-OH 3.29Å; E80-Y223 HydrophobicContact CB-CD1 4.41Å; E80-Y223 HydrophobicContact CB-CE1 3.9Å; E80-Y223 HydrophobicContact CG-CD1 3.62Å; E80-Y223 HydrophobicContact CG-CE1 3.62Å; D221-Y223 PolarHBondContact O-N 3.45Å; D221-Y223 PolarHBondContact OD1-N 3.05Å; Y223-R310 PolarHBondContact O-NH1 3.12Å; Y223-R310 PolarHBondContact O-NH2 3.09Å; Y223-H458 AromaticContact CD2-CE1 2.99Å; Y223-H458 WeakPolarHBondContact CD2-CE1 3.47Å; Y223-H458 AromaticContact CD2-ND1 3.56Å; Y223-H458 AromaticContact CD2-NE2 3.96Å; Y223-H458 AromaticContact CE2-CE1 2.89Å; Y223-H458 WeakPolarHBondContact CE2-CE1 3.36Å; Y223-H458 AromaticContact CE2-ND1 3.46Å; Y223-H458 WeakPolarHBondContact CE2-ND1 3.39Å; Y223-H458 AromaticContact CE2-NE2 3.48Å; Y223-H458 WeakPolarHBondContact CE2-NE2 3.43Å; Y223-H458 AromaticContact CG-CE1 3.9Å; Y223-H458 AromaticContact CZ-CE1 3.75Å; Y223-H458 AromaticContact CZ-NE2 3.94Å; Y223-S462 PolarHBondContact OH-OG 2.96Å
224L96.7Very high89.9Confident0 Ų017.9 Ų17.90%08%0.083CC..  trans-126.8115.7176.2-178.364.1000107.1M199 K203 T204 D221 L307 R310M199-L224 HydrophobicContact CE-CD1 4.4Å; M199-L224 HydrophobicContact CE-CD2 3.83Å; M199-L224 HydrophobicContact CE-CG 3.89Å; K203-L224 CarbonylContact C-O 3.45Å; K203-L224 WeakPolarHBondContact CA-O 3.44Å; K203-L224 PolarHBondContact N-O 3.5Å; T204-L224 HydrophobicContact CG2-CD2 4.36Å; T204-L224 PolarHBondContact N-O 2.71Å; T204-L224 WeakPolarHBondContact OG1-CD2 3.47Å; T204-L224 WeakPolarHBondContact OG1-CG 3.27Å; T204-L224 PolarHBondContact OG1-O 3.39Å; T204-L224 VanDerWaalsContact OG1-O 3.06Å; D221-L224 HydrophobicContact CB-CB 3.83Å; D221-L224 HydrophobicContact CB-CD2 4.47Å; D221-L224 PolarHBondContact OD1-N 3.16Å; L224-L307 HydrophobicContact CD1-CB 3.87Å; L224-L307 HydrophobicContact CD1-CD2 4.09Å; L224-L307 HydrophobicContact CD1-CG 4.5Å; L224-L307 WeakPolarHBondContact CD1-O 3.22Å; L224-R310 HydrophobicContact CD1-CB 4.46Å; L224-R310 HydrophobicContact CD2-CB 4.04Å
225G96.7Very high91.7Very high0 Ų015.1 Ų15.10%07%0.073CC..SBendtrans178.7175.5-177.600000112.2G200 A201 L227 E228 F229G200-G225 WeakPolarHBondContact O-CA 3.32Å; A201-G225 CarbonylContact O-C 3.54Å; A201-G225 VanDerWaalsContact O-C 3.27Å; G225-L227 PolarHBondContact O-N 3.02Å; G225-L227 VanDerWaalsContact O-N 3.08Å; G225-E228 PolarHBondContact O-N 3.41Å; G225-E228 VanDerWaalsContact O-N 3.08Å; G225-F229 WeakPolarHBondContact O-CD2 3.35Å
226G97.8Very high93.7Very high3 Ų316 Ų163%0.0317%0.073CC..Hα-helixtrans-47.7-35.1-178.900000115.5G200 A201 S230 K269G200-G226 PolarHBondContact O-N 3.02Å; A201-G226 PolarHBondContact O-N 2.89Å; G226-S230 PolarHBondContact O-N 3.15Å; G226-S230 PolarHBondContact O-OG 2.9Å; G226-K269 PolarHBondContact O-NZ 3.41Å
227L98Very high95.1Very high9 Ų915.1 Ų15.15%0.0477%0.068CC..Hα-helixtrans-67.6-40-178.7178.161.9000111.9F64 F85 A201 G225 F229 S230 L231F64-L227 HydrophobicContact CD1-CD2 4.1Å; F64-L227 HydrophobicContact CE1-CB 4.32Å; F64-L227 HydrophobicContact CE1-CD2 3.81Å; F64-L227 HydrophobicContact CE2-CD1 4.42Å; F64-L227 HydrophobicContact CE2-CD2 4.26Å; F64-L227 HydrophobicContact CG-CD2 4.46Å; F64-L227 HydrophobicContact CZ-CB 4.26Å; F64-L227 HydrophobicContact CZ-CD1 4.22Å; F64-L227 HydrophobicContact CZ-CD2 3.9Å; F64-L227 HydrophobicContact CZ-CG 4.35Å; F85-L227 HydrophobicContact CE2-CD2 4.32Å; F85-L227 HydrophobicContact CZ-CD1 4.48Å; F85-L227 HydrophobicContact CZ-CD2 3.87Å; A201-L227 VanDerWaalsContact O-CB 3.32Å; A201-L227 WeakPolarHBondContact O-CB 3.47Å; A201-L227 PolarHBondContact O-N 3.01Å; G225-L227 PolarHBondContact O-N 3.02Å; G225-L227 VanDerWaalsContact O-N 3.08Å; L227-F229 VanDerWaalsContact C-N 3.29Å; L227-F229 PolarHBondContact O-N 3.14Å; L227-S230 PolarHBondContact O-N 3.33Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-L231 HydrophobicContact CD1-CD1 4.25Å; L227-L231 HydrophobicContact CD1-CD2 4.46Å; L227-L231 HydrophobicContact CD1-CG 4.08Å; L227-L231 HydrophobicContact CD2-CD1 4.44Å; L227-L231 HydrophobicContact CG-CD1 3.86Å; L227-L231 HydrophobicContact CG-CG 4.18Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.2Å; L227-L231 PolarHBondContact O-N 3.36Å
228E98.1Very high96.2Very high7 Ų713.8 Ų13.83%0.0336%0.063CC..Hα-helixtrans-66.2-32.6-178.2-70.7-58.9147.500112.5R83 R84 G225 R232 L307R83-E228 IonicContact NH2-OE1 3.55Å; R83-E228 PolarHBondContact NH2-OE1 3.3Å; R83-E228 IonicContact NH2-OE2 3.07Å; R83-E228 PolarHBondContact NH2-OE2 3.37Å; R83-E228 VanDerWaalsContact NH2-OE2 3.1Å; R84-E228 IonicContact CZ-OE1 2.65Å; R84-E228 IonicContact NE-OE1 3.81Å; R84-E228 PolarHBondContact NE-OE1 2.92Å; R84-E228 IonicContact NH2-OE1 3.7Å; R84-E228 PolarHBondContact NH2-OE1 3.29Å; G225-E228 PolarHBondContact O-N 3.41Å; G225-E228 VanDerWaalsContact O-N 3.08Å; E228-R232 PolarHBondContact O-N 3.43Å; E228-R232 PolarHBondContact O-NH1 3.46Å; E228-R232 IonicContact OE2-NH1 3.77Å; E228-R232 PolarHBondContact OE2-NH1 3.12Å; E228-R232 VanDerWaalsContact OE2-NH1 3.08Å; E228-L307 HydrophobicContact CB-CD1 3.7Å; E228-L307 HydrophobicContact CB-CD2 4.12Å
229F98.4Very high96.9Very high0 Ų019.1 Ų19.10%09%0.088CC..Hα-helixtrans-64.7-48.1170.6-62.2-74.9000111.1M199 G225 L227 L231 R232 L233 K269 F300 C304 L307 F308 A338 V344M199-F229 HydrophobicContact SD-CE2 3.94Å; M199-F229 HydrophobicContact SD-CZ 4.27Å; G225-F229 WeakPolarHBondContact O-CD2 3.35Å; L227-F229 VanDerWaalsContact C-N 3.29Å; L227-F229 PolarHBondContact O-N 3.14Å; F229-L231 VanDerWaalsContact C-N 3.31Å; F229-L231 PolarHBondContact O-N 3.25Å; F229-R232 PolarHBondContact O-N 2.66Å; F229-L233 PolarHBondContact O-N 3.49Å; F229-L233 VanDerWaalsContact O-N 3.13Å; F229-K269 HydrophobicContact CB-CD 3.84Å; F229-F300 HydrophobicContact CB-CE2 4.02Å; F229-F300 HydrophobicContact CB-CZ 3.91Å; F229-F300 HydrophobicContact CD1-CE2 4.45Å; F229-F300 AromaticContact CD1-CZ 3.98Å; F229-F300 HydrophobicContact CD1-CZ 3.98Å; F229-F300 HydrophobicContact CG-CZ 4.25Å; F229-C304 HydrophobicContact CD1-CB 3.75Å; F229-C304 HydrophobicContact CE1-CB 3.98Å; F229-L307 HydrophobicContact CD1-CD1 3.68Å; F229-L307 HydrophobicContact CD2-CD1 4.42Å; F229-L307 HydrophobicContact CE1-CB 3.97Å; F229-L307 HydrophobicContact CE1-CD1 3.68Å; F229-L307 HydrophobicContact CE1-CG 4.49Å; F229-L307 HydrophobicContact CE2-CD1 4.46Å; F229-L307 HydrophobicContact CG-CD1 4.05Å; F229-L307 HydrophobicContact CZ-CB 4.2Å; F229-L307 HydrophobicContact CZ-CD1 4.1Å; F229-F308 HydrophobicContact CD1-CE1 4.46Å; F229-F308 HydrophobicContact CE1-CD1 4.16Å; F229-F308 AromaticContact CE1-CE1 3.47Å; F229-F308 HydrophobicContact CE1-CE1 3.47Å; F229-F308 VanDerWaalsContact CE1-CE1 3.47Å; F229-F308 AromaticContact CE1-CZ 3.97Å; F229-F308 HydrophobicContact CE1-CZ 3.97Å; F229-F308 HydrophobicContact CZ-CE1 4.06Å; F229-A338 HydrophobicContact CE2-CB 4.4Å; F229-V344 HydrophobicContact CZ-CG2 4.14Å
230S98.3Very high97.2Very high0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-65.7-33.5-180-53.50000112.2G226 L227 L233 R234 A265 E266 K269G226-S230 PolarHBondContact O-N 3.15Å; G226-S230 PolarHBondContact O-OG 2.9Å; L227-S230 PolarHBondContact O-N 3.33Å; L227-S230 VanDerWaalsContact O-N 3.14Å; S230-L233 PolarHBondContact O-N 2.96Å; S230-R234 VanDerWaalsContact O-CB 3.29Å; S230-R234 WeakPolarHBondContact O-CB 3.33Å; S230-R234 PolarHBondContact O-N 2.95Å; S230-A265 WeakPolarHBondContact O-CB 3.39Å; S230-E266 PolarHBondContact OG-OE2 2.83Å; S230-K269 PolarHBondContact OG-NZ 2.84Å
231L98.1Very high97.4Very high1 Ų120.8 Ų20.81%0.00510%0.097CC..Hα-helixtrans-67-44.7175.8-70.8169.6000112.1R84 L227 F229 L233 R234 D235 L262R84-L231 HydrophobicContact CB-CD1 4.25Å; R84-L231 HydrophobicContact CG-CD1 3.75Å; L227-L231 HydrophobicContact CD1-CD1 4.25Å; L227-L231 HydrophobicContact CD1-CD2 4.46Å; L227-L231 HydrophobicContact CD1-CG 4.08Å; L227-L231 HydrophobicContact CD2-CD1 4.44Å; L227-L231 HydrophobicContact CG-CD1 3.86Å; L227-L231 HydrophobicContact CG-CG 4.18Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.2Å; L227-L231 PolarHBondContact O-N 3.36Å; F229-L231 VanDerWaalsContact C-N 3.31Å; F229-L231 PolarHBondContact O-N 3.25Å; L231-L233 VanDerWaalsContact C-N 3.3Å; L231-L233 PolarHBondContact O-N 3.47Å; L231-R234 VanDerWaalsContact CD2-CZ 3.43Å; L231-R234 WeakPolarHBondContact O-CB 3.33Å; L231-R234 PolarHBondContact O-N 3Å; L231-D235 WeakPolarHBondContact O-CB 3.48Å; L231-D235 PolarHBondContact O-N 3.29Å; L231-L262 HydrophobicContact CD2-CD1 4.18Å
232R98.1Very high97.5Very high53 Ų5322.3 Ų22.320%0.211%0.114CC..Hα-helixtrans-59.4-42.5174.8-77.3159178.663.76.6111.8E228 F229 D235 K236 L303 D306E228-R232 PolarHBondContact O-N 3.43Å; E228-R232 PolarHBondContact O-NH1 3.46Å; E228-R232 IonicContact OE2-NH1 3.77Å; E228-R232 PolarHBondContact OE2-NH1 3.12Å; E228-R232 VanDerWaalsContact OE2-NH1 3.08Å; F229-R232 PolarHBondContact O-N 2.66Å; R232-D235 PolarHBondContact O-N 3.45Å; R232-K236 PolarHBondContact O-N 3.47Å; R232-L303 WeakPolarHBondContact CD-O 3.49Å; R232-D306 IonicContact CZ-OD1 2.88Å; R232-D306 IonicContact CZ-OD2 2.96Å; R232-D306 IonicContact NE-OD1 2.8Å; R232-D306 PolarHBondContact NE-OD1 3.06Å; R232-D306 IonicContact NE-OD2 2.72Å; R232-D306 IonicContact NH2-OD1 3.03Å; R232-D306 PolarHBondContact NH2-OD1 3.37Å; R232-D306 IonicContact NH2-OD2 3.27Å; R232-D306 PolarHBondContact NH2-OD2 2.91Å
233L98.2Very high97.6Very high0 Ų026 Ų260%015%0.146CC..Hα-helixtrans-69.2-41.2178-173.361.4000112.1F229 S230 L231 D235 K236 F237 A265 V268 K269 I295 F300F229-L233 PolarHBondContact O-N 3.49Å; F229-L233 VanDerWaalsContact O-N 3.13Å; S230-L233 PolarHBondContact O-N 2.96Å; L231-L233 VanDerWaalsContact C-N 3.3Å; L231-L233 PolarHBondContact O-N 3.47Å; L233-D235 VanDerWaalsContact C-N 3.33Å; L233-D235 PolarHBondContact O-N 2.9Å; L233-K236 WeakPolarHBondContact O-CB 3.32Å; L233-K236 PolarHBondContact O-N 2.87Å; L233-F237 HydrophobicContact CD1-CD1 4.22Å; L233-F237 HydrophobicContact CD1-CE1 3.48Å; L233-F237 VanDerWaalsContact CD1-CE1 3.48Å; L233-F237 HydrophobicContact CD1-CE2 4.36Å; L233-F237 HydrophobicContact CD1-CZ 3.57Å; L233-F237 HydrophobicContact CD2-CE2 4.27Å; L233-F237 HydrophobicContact CD2-CZ 3.94Å; L233-F237 HydrophobicContact CG-CD2 4.48Å; L233-F237 HydrophobicContact CG-CE1 3.91Å; L233-F237 HydrophobicContact CG-CE2 3.86Å; L233-F237 HydrophobicContact CG-CZ 3.54Å; L233-F237 WeakPolarHBondContact O-CD1 3.34Å; L233-F237 VanDerWaalsContact O-CG 3.25Å; L233-F237 WeakPolarHBondContact O-CG 3.45Å; L233-F237 PolarHBondContact O-N 3.46Å; L233-A265 HydrophobicContact CB-CB 3.99Å; L233-A265 HydrophobicContact CD2-CB 4.08Å; L233-A265 WeakPolarHBondContact CD2-O 3.07Å; L233-A265 HydrophobicContact CG-CB 3.97Å; L233-V268 HydrophobicContact CD2-CB 4Å; L233-V268 HydrophobicContact CD2-CG1 3.82Å; L233-K269 HydrophobicContact CD2-CB 4.46Å; L233-I295 HydrophobicContact CD1-CG1 4.12Å; L233-F300 HydrophobicContact CB-CD2 4.49Å; L233-F300 HydrophobicContact CD1-CD2 4.49Å; L233-F300 HydrophobicContact CD2-CD2 4.38Å
234R98.2Very high97.7Very high24 Ų2429.2 Ų29.29%0.09117%0.171CC..Hα-helixtrans-56.6-46.4171.5176.7-15770.7-178-0.2111.3S230 L231 K236 F237 A238 M258 L261 L262 A265S230-R234 VanDerWaalsContact O-CB 3.29Å; S230-R234 WeakPolarHBondContact O-CB 3.33Å; S230-R234 PolarHBondContact O-N 2.95Å; L231-R234 VanDerWaalsContact CD2-CZ 3.43Å; L231-R234 WeakPolarHBondContact O-CB 3.33Å; L231-R234 PolarHBondContact O-N 3Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.26Å; R234-F237 WeakPolarHBondContact O-CB 3.43Å; R234-F237 PolarHBondContact O-N 2.93Å; R234-F237 VanDerWaalsContact O-N 3.12Å; R234-A238 PolarHBondContact O-N 2.76Å; R234-M258 WeakPolarHBondContact CD-O 3.38Å; R234-M258 HydrophobicContact CG-CE 4.04Å; R234-L261 HydrophobicContact CG-CB 3.95Å; R234-L262 HydrophobicContact CB-CD1 4.3Å; R234-L262 HydrophobicContact CG-CB 4.22Å; R234-A265 HydrophobicContact CB-CB 4.17Å
235D98Very high97.6Very high55 Ų5531.6 Ų31.629%0.29418%0.182SC..Hα-helixtrans-66.6-38-177.9-65.3-12.7000110.8L231 R232 L233 A238 Q239L231-D235 WeakPolarHBondContact O-CB 3.48Å; L231-D235 PolarHBondContact O-N 3.29Å; R232-D235 PolarHBondContact O-N 3.45Å; L233-D235 VanDerWaalsContact C-N 3.33Å; L233-D235 PolarHBondContact O-N 2.9Å; D235-A238 PolarHBondContact O-N 3.03Å; D235-Q239 VanDerWaalsContact O-CG 3.29Å; D235-Q239 WeakPolarHBondContact O-CG 2.75Å; D235-Q239 PolarHBondContact O-N 3.27Å
236K98.1Very high97.3Very high57 Ų5741.7 Ų41.725%0.24823%0.226CC..Hα-helixtrans-60.1-44169.1178.363.1175.1-178.90111.8R232 L233 R234 Q239 L240 L303R232-K236 PolarHBondContact O-N 3.47Å; L233-K236 WeakPolarHBondContact O-CB 3.32Å; L233-K236 PolarHBondContact O-N 2.87Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.26Å; K236-Q239 WeakPolarHBondContact O-CB 3.15Å; K236-Q239 PolarHBondContact O-N 3.44Å; K236-L240 HydrophobicContact CD-CD1 4.4Å; K236-L240 HydrophobicContact CD-CG 4.32Å; K236-L240 HydrophobicContact CG-CD1 4.2Å; K236-L240 WeakPolarHBondContact O-CG 3.44Å; K236-L240 PolarHBondContact O-N 3.46Å; K236-L303 HydrophobicContact CB-CD1 3.81Å; K236-L303 HydrophobicContact CB-CD2 4.48Å; K236-L303 HydrophobicContact CD-CD1 4.46Å; K236-L303 HydrophobicContact CD-CD2 4.48Å; K236-L303 HydrophobicContact CG-CD1 3.87Å
237F98.5Very high97.2Very high0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-64.6-39.4177.9-65.6-12.8000112.3L233 R234 Q239 L240 F241 L261 E264 A265 V268 A280 F291 I295L233-F237 HydrophobicContact CD1-CD1 4.22Å; L233-F237 HydrophobicContact CD1-CE1 3.48Å; L233-F237 VanDerWaalsContact CD1-CE1 3.48Å; L233-F237 HydrophobicContact CD1-CE2 4.36Å; L233-F237 HydrophobicContact CD1-CZ 3.57Å; L233-F237 HydrophobicContact CD2-CE2 4.27Å; L233-F237 HydrophobicContact CD2-CZ 3.94Å; L233-F237 HydrophobicContact CG-CD2 4.48Å; L233-F237 HydrophobicContact CG-CE1 3.91Å; L233-F237 HydrophobicContact CG-CE2 3.86Å; L233-F237 HydrophobicContact CG-CZ 3.54Å; L233-F237 WeakPolarHBondContact O-CD1 3.34Å; L233-F237 VanDerWaalsContact O-CG 3.25Å; L233-F237 WeakPolarHBondContact O-CG 3.45Å; L233-F237 PolarHBondContact O-N 3.46Å; R234-F237 WeakPolarHBondContact O-CB 3.43Å; R234-F237 PolarHBondContact O-N 2.93Å; R234-F237 VanDerWaalsContact O-N 3.12Å; F237-Q239 PolarHBondContact O-N 2.85Å; F237-L240 PolarHBondContact O-N 3.11Å; F237-F241 WeakPolarHBondContact O-CB 3.15Å; F237-F241 PolarHBondContact O-N 3.15Å; F237-L261 HydrophobicContact CB-CD2 4.09Å; F237-E264 HydrophobicContact CD2-CG 4.49Å; F237-E264 HydrophobicContact CE2-CG 4.12Å; F237-A265 HydrophobicContact CD2-CB 4.22Å; F237-A265 HydrophobicContact CE2-CB 4.04Å; F237-V268 HydrophobicContact CE2-CB 4.46Å; F237-V268 HydrophobicContact CE2-CG2 4.23Å; F237-V268 HydrophobicContact CZ-CB 4.15Å; F237-V268 HydrophobicContact CZ-CG1 4.1Å; F237-V268 HydrophobicContact CZ-CG2 4.03Å; F237-A280 HydrophobicContact CE1-CB 3.82Å; F237-A280 HydrophobicContact CE2-CB 3.89Å; F237-A280 HydrophobicContact CZ-CB 3.44Å; F237-A280 VanDerWaalsContact CZ-CB 3.44Å; F237-F291 HydrophobicContact CB-CE1 3.75Å; F237-F291 HydrophobicContact CB-CE2 4.28Å; F237-F291 HydrophobicContact CB-CZ 3.54Å; F237-F291 AromaticContact CD1-CE1 3.94Å; F237-F291 HydrophobicContact CD1-CE1 3.94Å; F237-F291 AromaticContact CD1-CZ 3.66Å; F237-F291 HydrophobicContact CD1-CZ 3.66Å; F237-F291 AromaticContact CD2-CE1 3.91Å; F237-F291 HydrophobicContact CD2-CE1 3.91Å; F237-F291 HydrophobicContact CD2-CZ 4.39Å; F237-F291 HydrophobicContact CE1-CE1 4.49Å; F237-F291 HydrophobicContact CE1-CZ 4.44Å; F237-F291 HydrophobicContact CE2-CE1 4.45Å; F237-F291 AromaticContact CG-CE1 3.62Å; F237-F291 HydrophobicContact CG-CE1 3.62Å; F237-F291 AromaticContact CG-CZ 3.63Å; F237-F291 HydrophobicContact CG-CZ 3.63Å; F237-F291 WeakPolarHBondContact O-CE2 2.8Å; F237-I295 HydrophobicContact CE1-CG2 4.32Å; F237-I295 HydrophobicContact CZ-CG2 4.39Å
238A98Very high97Very high4 Ų452.2 Ų52.23%0.03327%0.273CS..Hα-helixtrans-62.4-41.5174.200000111.8R234 D235 F241 A242 V251 T252 M258 L261R234-A238 PolarHBondContact O-N 2.76Å; D235-A238 PolarHBondContact O-N 3.03Å; A238-F241 PolarHBondContact O-N 2.92Å; A238-A242 WeakPolarHBondContact O-CB 3.28Å; A238-A242 PolarHBondContact O-N 3.37Å; A238-V251 HydrophobicContact CB-CG1 4.09Å; A238-T252 HydrophobicContact CB-CG2 4.46Å; A238-M258 HydrophobicContact CB-CE 4.19Å; A238-M258 HydrophobicContact CB-SD 3.93Å; A238-L261 HydrophobicContact CB-CD1 3.95Å
239Q97.7Very high96.8Very high125 Ų12555 Ų5558%0.58429%0.291SS*.Hα-helixtrans-63.1-45.7175-70.616815.500112.2D235 K236 F237 A242 A243D235-Q239 VanDerWaalsContact O-CG 3.29Å; D235-Q239 WeakPolarHBondContact O-CG 2.75Å; D235-Q239 PolarHBondContact O-N 3.27Å; K236-Q239 WeakPolarHBondContact O-CB 3.15Å; K236-Q239 PolarHBondContact O-N 3.44Å; F237-Q239 PolarHBondContact O-N 2.85Å; Q239-A242 PolarHBondContact O-N 2.87Å; Q239-A243 PolarHBondContact O-N 3.27Å
240L97.5Very high96.7Very high48 Ų4858.2 Ų58.225%0.25131%0.312SS..Hα-helixtrans-64.1-42177.3-70.2175.1000111.3K236 F237 A242 A243 S244 F291 A293K236-L240 HydrophobicContact CD-CD1 4.4Å; K236-L240 HydrophobicContact CD-CG 4.32Å; K236-L240 HydrophobicContact CG-CD1 4.2Å; K236-L240 WeakPolarHBondContact O-CG 3.44Å; K236-L240 PolarHBondContact O-N 3.46Å; F237-L240 PolarHBondContact O-N 3.11Å; L240-A242 PolarHBondContact O-N 3.34Å; L240-A243 PolarHBondContact O-N 3.44Å; L240-S244 PolarHBondContact O-N 3.03Å; L240-S244 PolarHBondContact O-OG 3.21Å; L240-F291 HydrophobicContact CB-CE2 3.95Å; L240-F291 HydrophobicContact CB-CZ 4.48Å; L240-A293 HydrophobicContact CD1-CB 3.81Å
241F97.9Very high96.6Very high0 Ų058.3 Ų58.30%031%0.312CS..Hα-helixtrans-59.2-47.5175.9-177.9-86.7000111.8F237 A238 A243 S244 H245 T247 V251 V285 H286 N289 F291F237-F241 WeakPolarHBondContact O-CB 3.15Å; F237-F241 PolarHBondContact O-N 3.15Å; A238-F241 PolarHBondContact O-N 2.92Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 3.5Å; F241-S244 PolarHBondContact O-N 3.39Å; F241-H245 AromaticContact CD2-ND1 3.68Å; F241-H245 HydrophobicContact CE1-CB 4.33Å; F241-H245 AromaticContact CE2-ND1 3.67Å; F241-H245 HydrophobicContact CZ-CB 4.39Å; F241-H245 PolarHBondContact O-N 2.93Å; F241-H245 PolarHBondContact O-ND1 3.45Å; F241-T247 HydrophobicContact CE1-CG2 3.94Å; F241-T247 HydrophobicContact CZ-CG2 4.48Å; F241-V251 HydrophobicContact CD1-CB 3.73Å; F241-V251 HydrophobicContact CD1-CG1 3.95Å; F241-V251 HydrophobicContact CD1-CG2 3.81Å; F241-V251 HydrophobicContact CE1-CB 4.02Å; F241-V251 HydrophobicContact CE1-CG2 4.05Å; F241-V251 HydrophobicContact CG-CG2 4.43Å; F241-V285 HydrophobicContact CD2-CB 4.32Å; F241-V285 HydrophobicContact CD2-CG1 4.33Å; F241-V285 HydrophobicContact CE2-CB 3.87Å; F241-V285 HydrophobicContact CE2-CG1 4.19Å; F241-V285 HydrophobicContact CZ-CB 4.43Å; F241-H286 HydrophobicContact CE1-CB 3.78Å; F241-H286 HydrophobicContact CZ-CB 3.71Å; F241-N289 HydrophobicContact CE2-CB 4.06Å; F241-N289 HydrophobicContact CZ-CB 3.87Å; F241-F291 HydrophobicContact CB-CD2 3.92Å; F241-F291 HydrophobicContact CB-CE2 4.35Å; F241-F291 HydrophobicContact CD2-CB 3.92Å; F241-F291 HydrophobicContact CD2-CD2 4.05Å; F241-F291 HydrophobicContact CD2-CG 4.41Å; F241-F291 HydrophobicContact CE2-CB 4.49Å
242A97Very high96.5Very high57 Ų5761.9 Ų61.947%0.47133%0.334SS..Hα-helixtrans-65-28.7178.100000113A238 Q239 L240A238-A242 WeakPolarHBondContact O-CB 3.28Å; A238-A242 PolarHBondContact O-N 3.37Å; Q239-A242 PolarHBondContact O-N 2.87Å; L240-A242 PolarHBondContact O-N 3.34Å
243A96.3Very high96.4Very high87 Ų8764.1 Ų64.172%0.71935%0.35SS*.Hα-helixtrans-75.3-33.2174.300000112.7Q239 L240 F241Q239-A243 PolarHBondContact O-N 3.27Å; L240-A243 PolarHBondContact O-N 3.44Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 3.5Å
244S95.4Very high96.3Very high83 Ų8365.7 Ų65.758%0.5836%0.358SS*.Hα-helixtrans-86-24.3-178.1-630000114.1L240 F241L240-S244 PolarHBondContact O-N 3.03Å; L240-S244 PolarHBondContact O-OG 3.21Å; F241-S244 PolarHBondContact O-N 3.39Å
245H94.3Very high96.2Very high51 Ų5167.9 Ų67.924%0.23637%0.37CS..  trans-129.7136.3-173.8-55.295.8000112F241 T247 N289 D290F241-H245 AromaticContact CD2-ND1 3.68Å; F241-H245 HydrophobicContact CE1-CB 4.33Å; F241-H245 AromaticContact CE2-ND1 3.67Å; F241-H245 HydrophobicContact CZ-CB 4.39Å; F241-H245 PolarHBondContact O-N 2.93Å; F241-H245 PolarHBondContact O-ND1 3.45Å; H245-T247 HydrophobicContact CB-CG2 4.29Å; H245-N289 HydrophobicContact CB-CB 4.42Å; H245-D290 PolarHBondContact CE1-O 2.86Å; H245-D290 PolarHBondContact NE2-O 3.22Å
246K92.2Very high96.1Very high212 Ų21270.7 Ų70.792%0.92238%0.376SS*.  trans-87.4108.9168.8-66-176.9-179.1-179.90108.7
247T93.8Very high96.1Very high36 Ų3668 Ų6822%0.22136%0.364CS..  trans-111.3153.517759.80000111F241 H245 V249 E287F241-T247 HydrophobicContact CE1-CG2 3.94Å; F241-T247 HydrophobicContact CZ-CG2 4.48Å; H245-T247 HydrophobicContact CB-CG2 4.29Å; T247-V249 VanDerWaalsContact CB-O 3.31Å; T247-V249 WeakPolarHBondContact CB-O 3.47Å; T247-V249 PolarHBondContact OG1-O 2.95Å; T247-E287 VanDerWaalsContact CA-OE2 3.29Å; T247-E287 WeakPolarHBondContact CA-OE2 3.45Å; T247-E287 WeakPolarHBondContact CB-OE2 3.39Å; T247-E287 HydrophobicContact CG2-CB 4.39Å
248K94.4Very high96.1Very high196 Ų19668.9 Ų68.985%0.85237%0.369SS*.SBendtrans-74-37.6178.8-58.8175.3-177.4174.70110.9E287K248-E287 WeakPolarHBondContact CB-OE1 3.41Å; K248-E287 VanDerWaalsContact N-CD 3.31Å; K248-E287 PolarHBondContact N-OE1 3.4Å; K248-E287 PolarHBondContact N-OE2 3.31Å
249V94.9Very high96Very high65 Ų6568.8 Ų68.839%0.39437%0.368SS..SBendtrans-108.4140174.3-179.60000108.6T247 V251 D253 H286 E287T247-V249 VanDerWaalsContact CB-O 3.31Å; T247-V249 WeakPolarHBondContact CB-O 3.47Å; T247-V249 PolarHBondContact OG1-O 2.95Å; V249-V251 PolarHBondContact O-N 3.46Å; V249-D253 HydrophobicContact CG1-CB 3.79Å; V249-H286 PolarHBondContact O-NE2 3.36Å; V249-E287 PolarHBondContact N-OE1 3.33Å
250P95.6Very high96Very high68 Ų6865.3 Ų65.344%0.44235%0.351SS..  trans-56.9134.5170.5-25.334.8000111.2T252 D253P250-T252 PolarHBondContact O-N 3.23Å; P250-D253 WeakPolarHBondContact CD-OD2 3.18Å; P250-D253 WeakPolarHBondContact O-CB 3.48Å; P250-D253 PolarHBondContact O-N 3.44Å
251V97Very high96Very high3 Ų363 Ų632%0.01834%0.339CS..G310 helixtrans-55.5-28178.164.30000112.9A238 F241 V249 D253 D254 A257 L261 V285 H286A238-V251 HydrophobicContact CB-CG1 4.09Å; F241-V251 HydrophobicContact CD1-CB 3.73Å; F241-V251 HydrophobicContact CD1-CG1 3.95Å; F241-V251 HydrophobicContact CD1-CG2 3.81Å; F241-V251 HydrophobicContact CE1-CB 4.02Å; F241-V251 HydrophobicContact CE1-CG2 4.05Å; F241-V251 HydrophobicContact CG-CG2 4.43Å; V249-V251 PolarHBondContact O-N 3.46Å; V251-D253 PolarHBondContact O-N 3.43Å; V251-D254 PolarHBondContact O-N 2.98Å; V251-A257 HydrophobicContact CG2-CB 3.77Å; V251-L261 HydrophobicContact CG2-CD1 4.23Å; V251-V285 HydrophobicContact CG2-CG1 4.31Å; V251-H286 HydrophobicContact CB-CB 4.41Å; V251-H286 HydrophobicContact CG2-CB 3.88Å
252T96.2Very high96.1Very high75 Ų7563.5 Ų63.546%0.4634%0.341SS..G310 helixtrans-64.9-24.1176.650.50000113.7A238 P250 M258A238-T252 HydrophobicContact CB-CG2 4.46Å; P250-T252 PolarHBondContact O-N 3.23Å; T252-M258 HydrophobicContact CG2-SD 4.48Å
253D95.5Very high96.1Very high101 Ų10162.6 Ų62.654%0.5433%0.328SS..G310 helixtrans-88.6-12.3-179.3-57.5-9000111.3V249 P250 V251V249-D253 HydrophobicContact CG1-CB 3.79Å; P250-D253 WeakPolarHBondContact CD-OD2 3.18Å; P250-D253 WeakPolarHBondContact O-CB 3.48Å; P250-D253 PolarHBondContact O-N 3.44Å; V251-D253 PolarHBondContact O-N 3.43Å
254D96.1Very high96.1Very high32 Ų3259.2 Ų59.217%0.17130%0.298CS..  trans-93.296.6172.1-175.8-9.8000110.7V251 R256 A257 M258 H286V251-D254 PolarHBondContact O-N 2.98Å; D254-R256 PolarHBondContact O-N 2.87Å; D254-R256 VanDerWaalsContact O-N 3.13Å; D254-R256 WeakPolarHBondContact OD1-CA 3.49Å; D254-R256 WeakPolarHBondContact OD1-CB 3.28Å; D254-R256 PolarHBondContact OD1-N 2.79Å; D254-A257 HydrophobicContact CB-CB 3.79Å; D254-A257 WeakPolarHBondContact O-CB 3.4Å; D254-A257 PolarHBondContact O-N 3.32Å; D254-A257 PolarHBondContact OD1-N 3.44Å; D254-M258 PolarHBondContact O-N 3.26Å; D254-H286 VanDerWaalsContact CB-CE1 3.5Å; D254-H286 WeakPolarHBondContact CB-CE1 3.26Å; D254-H286 VanDerWaalsContact CB-ND1 3.33Å; D254-H286 WeakPolarHBondContact CB-ND1 3.32Å; D254-H286 IonicContact OD2-CE1 3.36Å; D254-H286 IonicContact OD2-CG 2.78Å; D254-H286 IonicContact OD2-ND1 3.66Å; D254-H286 PolarHBondContact OD2-ND1 2.86Å
255H95.9Very high96.3Very high71 Ų7155.3 Ų55.333%0.32927%0.27SS..Hα-helixtrans-56.6-30177.7-61.8155.1000113.6P58 F87 I259P58-H255 HydrophobicContact CG-CB 4.23Å; F87-H255 HydrophobicContact CB-CB 3.89Å; F87-H255 VanDerWaalsContact CB-ND1 3.26Å; F87-H255 WeakPolarHBondContact CB-ND1 2.84Å; F87-H255 HydrophobicContact CD1-CB 4.32Å; F87-H255 HydrophobicContact CG-CB 4.45Å; H255-I259 WeakPolarHBondContact O-CG1 3.03Å; H255-I259 PolarHBondContact O-N 3Å; H255-I259 VanDerWaalsContact O-N 3.08Å
256R96.4Very high96.4Very high113 Ų11354.2 Ų54.243%0.42627%0.265SS..Hα-helixtrans-69.4-44.5176.9-169.6-174.954.9167.8-4.3110.2R55 D254 I259 K260R55-R256 WeakPolarHBondContact O-CG 2.87Å; D254-R256 PolarHBondContact O-N 2.87Å; D254-R256 VanDerWaalsContact O-N 3.13Å; D254-R256 WeakPolarHBondContact OD1-CA 3.49Å; D254-R256 WeakPolarHBondContact OD1-CB 3.28Å; D254-R256 PolarHBondContact OD1-N 2.79Å; R256-I259 PolarHBondContact O-N 2.86Å; R256-K260 PolarHBondContact O-N 3.03Å; R256-K260 VanDerWaalsContact O-N 3.08Å
257A97.3Very high96.7Very high0 Ų048.4 Ų48.40%024%0.238CC..Hα-helixtrans-60.7-45.817500000111.2V251 D254 I259 K260 L261 V285 H286V251-A257 HydrophobicContact CG2-CB 3.77Å; D254-A257 HydrophobicContact CB-CB 3.79Å; D254-A257 WeakPolarHBondContact O-CB 3.4Å; D254-A257 PolarHBondContact O-N 3.32Å; D254-A257 PolarHBondContact OD1-N 3.44Å; A257-I259 VanDerWaalsContact C-N 3.31Å; A257-I259 PolarHBondContact O-N 3.17Å; A257-K260 WeakPolarHBondContact O-CB 3.33Å; A257-K260 PolarHBondContact O-N 2.87Å; A257-K260 VanDerWaalsContact O-N 3.12Å; A257-L261 WeakPolarHBondContact O-CG 2.96Å; A257-L261 PolarHBondContact O-N 2.95Å; A257-V285 WeakPolarHBondContact CA-O 3.28Å; A257-V285 HydrophobicContact CB-CG1 3.91Å; A257-V285 WeakPolarHBondContact CB-O 3.35Å; A257-H286 HydrophobicContact CB-CB 3.94Å
258M97.9Very high96.9Very high19 Ų1946.7 Ų46.79%0.09423%0.227CC..Hα-helixtrans-64-32.5179.3-68.3-57.7-73.200113.3R234 A238 T252 D254 L261 L262R234-M258 WeakPolarHBondContact CD-O 3.38Å; R234-M258 HydrophobicContact CG-CE 4.04Å; A238-M258 HydrophobicContact CB-CE 4.19Å; A238-M258 HydrophobicContact CB-SD 3.93Å; T252-M258 HydrophobicContact CG2-SD 4.48Å; D254-M258 PolarHBondContact O-N 3.26Å; M258-L261 HydrophobicContact SD-CD1 4.29Å; M258-L262 WeakPolarHBondContact O-CB 3.24Å; M258-L262 PolarHBondContact O-N 3.49Å
259I97.5Very high97.1Very high3 Ų338 Ų382%0.01519%0.189CC..Hα-helixtrans-69.9-41.8171.4-72.5-59.7000111.8R54 R55 P58 F87 H255 R256 A257 L261 L262 D263R54-I259 HydrophobicContact CG-CD1 4.4Å; R54-I259 HydrophobicContact CG-CG1 4.44Å; R54-I259 HydrophobicContact CG-CG2 4.14Å; R55-I259 HydrophobicContact CG-CG2 4.04Å; P58-I259 HydrophobicContact CB-CG1 3.99Å; P58-I259 HydrophobicContact CG-CB 4.48Å; P58-I259 HydrophobicContact CG-CG1 3.85Å; F87-I259 HydrophobicContact CE1-CD1 3.68Å; F87-I259 HydrophobicContact CE1-CG1 4.11Å; F87-I259 HydrophobicContact CZ-CD1 3.9Å; F87-I259 HydrophobicContact CZ-CG1 4.46Å; H255-I259 WeakPolarHBondContact O-CG1 3.03Å; H255-I259 PolarHBondContact O-N 3Å; H255-I259 VanDerWaalsContact O-N 3.08Å; R256-I259 PolarHBondContact O-N 2.86Å; A257-I259 VanDerWaalsContact C-N 3.31Å; A257-I259 PolarHBondContact O-N 3.17Å; I259-L261 VanDerWaalsContact C-N 3.32Å; I259-L261 PolarHBondContact O-N 3.4Å; I259-L262 HydrophobicContact CD1-CD2 4.32Å; I259-L262 PolarHBondContact O-N 2.86Å; I259-L262 VanDerWaalsContact O-N 3.16Å; I259-D263 PolarHBondContact O-N 3.23Å
260K97.3Very high97.2Very high51 Ų5139.9 Ų39.922%0.22219%0.192CC..Hα-helixtrans-58.7-45.5174.7-74.2-176.7168.9-165.20111.4R256 A257 L262 D263 E264 E283 S284R256-K260 PolarHBondContact O-N 3.03Å; R256-K260 VanDerWaalsContact O-N 3.08Å; A257-K260 WeakPolarHBondContact O-CB 3.33Å; A257-K260 PolarHBondContact O-N 2.87Å; A257-K260 VanDerWaalsContact O-N 3.12Å; K260-L262 VanDerWaalsContact C-N 3.3Å; K260-L262 PolarHBondContact O-N 3.29Å; K260-D263 PolarHBondContact O-N 2.83Å; K260-E264 WeakPolarHBondContact O-CB 3.47Å; K260-E264 PolarHBondContact O-N 3.27Å; K260-E283 PolarHBondContact NZ-O 3.39Å; K260-S284 PolarHBondContact NZ-O 3.25Å
261L98.2Very high97.3Very high0 Ų038.9 Ų38.90%018%0.183CC..Hα-helixtrans-65.4-32.4176.4-66.9179.3000112.5R234 F237 A238 V251 A257 M258 I259 A265 V285 F291R234-L261 HydrophobicContact CG-CB 3.95Å; F237-L261 HydrophobicContact CB-CD2 4.09Å; A238-L261 HydrophobicContact CB-CD1 3.95Å; V251-L261 HydrophobicContact CG2-CD1 4.23Å; A257-L261 WeakPolarHBondContact O-CG 2.96Å; A257-L261 PolarHBondContact O-N 2.95Å; M258-L261 HydrophobicContact SD-CD1 4.29Å; I259-L261 VanDerWaalsContact C-N 3.32Å; I259-L261 PolarHBondContact O-N 3.4Å; L261-A265 VanDerWaalsContact O-CB 3.26Å; L261-A265 WeakPolarHBondContact O-CB 3.25Å; L261-A265 PolarHBondContact O-N 3.18Å; L261-V285 HydrophobicContact CD1-CG1 4.2Å; L261-V285 HydrophobicContact CD2-CG1 3.91Å; L261-V285 HydrophobicContact CD2-CG2 4.24Å; L261-V285 HydrophobicContact CG-CG1 3.86Å; L261-F291 HydrophobicContact CD2-CB 4.36Å; L261-F291 HydrophobicContact CD2-CD1 3.87Å; L261-F291 HydrophobicContact CD2-CE1 4.35Å; L261-F291 HydrophobicContact CD2-CG 4.05Å
262L98Very high97.4Very high10 Ų1038.8 Ų38.85%0.05218%0.182CC..Hα-helixtrans-70.9-42.6175.5-177.860000112.4L231 R234 M258 I259 K260 E264 A265 E266L231-L262 HydrophobicContact CD2-CD1 4.18Å; R234-L262 HydrophobicContact CB-CD1 4.3Å; R234-L262 HydrophobicContact CG-CB 4.22Å; M258-L262 WeakPolarHBondContact O-CB 3.24Å; M258-L262 PolarHBondContact O-N 3.49Å; I259-L262 HydrophobicContact CD1-CD2 4.32Å; I259-L262 PolarHBondContact O-N 2.86Å; I259-L262 VanDerWaalsContact O-N 3.16Å; K260-L262 VanDerWaalsContact C-N 3.3Å; K260-L262 PolarHBondContact O-N 3.29Å; L262-E264 VanDerWaalsContact C-N 3.27Å; L262-E264 PolarHBondContact O-N 3.07Å; L262-A265 PolarHBondContact O-N 3.5Å; L262-E266 PolarHBondContact O-N 3.28Å
263D97Very high97.4Very high38 Ų3836.6 Ų36.620%0.20317%0.17CC..Hα-helixtrans-60.2-42.2174.7-76.9-3.8000109.9R54 R55 I259 K260 E266 R267R54-D263 IonicContact CZ-OD1 2.83Å; R54-D263 IonicContact NH2-OD1 2.77Å; R54-D263 PolarHBondContact NH2-OD1 3.1Å; R55-D263 VanDerWaalsContact CD-OD2 3.23Å; R55-D263 WeakPolarHBondContact CD-OD2 3.49Å; R55-D263 WeakPolarHBondContact CG-OD2 3.4Å; R55-D263 IonicContact CZ-OD2 3.39Å; R55-D263 IonicContact NE-OD2 3.25Å; R55-D263 IonicContact NH1-OD2 3.49Å; R55-D263 PolarHBondContact NH1-OD2 3.48Å; I259-D263 PolarHBondContact O-N 3.23Å; K260-D263 PolarHBondContact O-N 2.83Å; D263-E266 PolarHBondContact O-N 3.36Å; D263-R267 PolarHBondContact O-N 3.46Å; D263-R267 VanDerWaalsContact O-N 3.12Å
264E98.2Very high97.5Very high17 Ų1737.2 Ų37.28%0.07918%0.178CC..Hα-helixtrans-68.6-40176.8179.554.9-169.300112.8F237 K260 L262 E266 R267 V268 A280 Q281F237-E264 HydrophobicContact CD2-CG 4.49Å; F237-E264 HydrophobicContact CE2-CG 4.12Å; K260-E264 WeakPolarHBondContact O-CB 3.47Å; K260-E264 PolarHBondContact O-N 3.27Å; L262-E264 VanDerWaalsContact C-N 3.27Å; L262-E264 PolarHBondContact O-N 3.07Å; E264-E266 VanDerWaalsContact C-N 3.28Å; E264-E266 PolarHBondContact O-N 3.46Å; E264-R267 WeakPolarHBondContact O-CB 3.47Å; E264-R267 PolarHBondContact O-N 3.22Å; E264-R267 IonicContact OE1-CZ 3.56Å; E264-R267 IonicContact OE1-NE 2.68Å; E264-R267 PolarHBondContact OE1-NE 2.84Å; E264-R267 IonicContact OE1-NH2 3.31Å; E264-R267 PolarHBondContact OE1-NH2 3.49Å; E264-R267 IonicContact OE2-CZ 2.67Å; E264-R267 IonicContact OE2-NE 2.84Å; E264-R267 PolarHBondContact OE2-NE 2.75Å; E264-R267 IonicContact OE2-NH2 3.33Å; E264-V268 HydrophobicContact CG-CG2 4.39Å; E264-V268 WeakPolarHBondContact O-CB 3.5Å; E264-V268 WeakPolarHBondContact O-CG2 3.5Å; E264-V268 PolarHBondContact O-N 3.25Å; E264-V268 WeakPolarHBondContact OE1-CG2 3.3Å; E264-A280 HydrophobicContact CG-CB 4.41Å; E264-A280 WeakPolarHBondContact OE1-CA 3.22Å; E264-Q281 PolarHBondContact OE1-N 3.4Å
265A98.6Very high97.5Very high0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-59.5-39172.400000112S230 L233 R234 F237 L261 L262 K269S230-A265 WeakPolarHBondContact O-CB 3.39Å; L233-A265 HydrophobicContact CB-CB 3.99Å; L233-A265 HydrophobicContact CD2-CB 4.08Å; L233-A265 WeakPolarHBondContact CD2-O 3.07Å; L233-A265 HydrophobicContact CG-CB 3.97Å; R234-A265 HydrophobicContact CB-CB 4.17Å; F237-A265 HydrophobicContact CD2-CB 4.22Å; F237-A265 HydrophobicContact CE2-CB 4.04Å; L261-A265 VanDerWaalsContact O-CB 3.26Å; L261-A265 WeakPolarHBondContact O-CB 3.25Å; L261-A265 PolarHBondContact O-N 3.18Å; L262-A265 PolarHBondContact O-N 3.5Å; A265-K269 VanDerWaalsContact O-CB 3.24Å; A265-K269 WeakPolarHBondContact O-CB 3.37Å; A265-K269 PolarHBondContact O-N 3.39Å
266E97.3Very high97.6Very high28 Ų2840.7 Ų40.713%0.13120%0.202CC..Hα-helixtrans-65-41175.4-173.663.2-157.700112.1S230 L262 D263 E264 K269 K270S230-E266 PolarHBondContact OG-OE2 2.83Å; L262-E266 PolarHBondContact O-N 3.28Å; D263-E266 PolarHBondContact O-N 3.36Å; E264-E266 VanDerWaalsContact C-N 3.28Å; E264-E266 PolarHBondContact O-N 3.46Å; E266-K269 WeakPolarHBondContact OE1-CE 3.38Å; E266-K269 IonicContact OE1-NZ 2.87Å; E266-K269 PolarHBondContact OE1-NZ 3.24Å; E266-K269 IonicContact OE2-NZ 2.8Å; E266-K269 PolarHBondContact OE2-NZ 3.42Å; E266-K270 WeakPolarHBondContact O-CG 3.38Å; E266-K270 PolarHBondContact O-N 3.27Å
267R97.6Very high97.7Very high91 Ų9139.9 Ų39.934%0.34321%0.206SC..Hα-helixtrans-62.8-51.5175.5-171-167.871.290.55.8110.8D263 E264 K269 K270 I271 Y279D263-R267 PolarHBondContact O-N 3.46Å; D263-R267 VanDerWaalsContact O-N 3.12Å; E264-R267 WeakPolarHBondContact O-CB 3.47Å; E264-R267 PolarHBondContact O-N 3.22Å; E264-R267 IonicContact OE1-CZ 3.56Å; E264-R267 IonicContact OE1-NE 2.68Å; E264-R267 PolarHBondContact OE1-NE 2.84Å; E264-R267 IonicContact OE1-NH2 3.31Å; E264-R267 PolarHBondContact OE1-NH2 3.49Å; E264-R267 IonicContact OE2-CZ 2.67Å; E264-R267 IonicContact OE2-NE 2.84Å; E264-R267 PolarHBondContact OE2-NE 2.75Å; E264-R267 IonicContact OE2-NH2 3.33Å; R267-K269 PolarHBondContact O-N 3.4Å; R267-K270 WeakPolarHBondContact O-CB 3.48Å; R267-K270 PolarHBondContact O-N 2.71Å; R267-K270 VanDerWaalsContact O-N 3.15Å; R267-I271 HydrophobicContact CG-CD1 4.22Å; R267-I271 PolarHBondContact O-N 2.82Å; R267-I271 VanDerWaalsContact O-N 3.1Å; R267-Y279 PolarHBondContact NH2-O 3.34Å
268V98.4Very high97.7Very high0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-62-43.1-178.9170.80000111.7L233 F237 E264 K270 I271 L272 A278 A280 I295L233-V268 HydrophobicContact CD2-CB 4Å; L233-V268 HydrophobicContact CD2-CG1 3.82Å; F237-V268 HydrophobicContact CE2-CB 4.46Å; F237-V268 HydrophobicContact CE2-CG2 4.23Å; F237-V268 HydrophobicContact CZ-CB 4.15Å; F237-V268 HydrophobicContact CZ-CG1 4.1Å; F237-V268 HydrophobicContact CZ-CG2 4.03Å; E264-V268 HydrophobicContact CG-CG2 4.39Å; E264-V268 WeakPolarHBondContact O-CB 3.5Å; E264-V268 WeakPolarHBondContact O-CG2 3.5Å; E264-V268 PolarHBondContact O-N 3.25Å; E264-V268 WeakPolarHBondContact OE1-CG2 3.3Å; V268-K270 PolarHBondContact O-N 2.95Å; V268-I271 PolarHBondContact O-N 2.83Å; V268-I271 VanDerWaalsContact O-N 3.09Å; V268-L272 HydrophobicContact CG1-CD1 3.75Å; V268-L272 HydrophobicContact CG1-CG 3.99Å; V268-L272 WeakPolarHBondContact O-CB 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.35Å; V268-L272 PolarHBondContact O-N 3.32Å; V268-A278 HydrophobicContact CG1-CB 3.89Å; V268-A280 HydrophobicContact CG2-CB 3.81Å; V268-I295 HydrophobicContact CG1-CG2 3.58Å
269K98.2Very high97.7Very high13 Ų1345.4 Ų45.46%0.05723%0.229CC..Hα-helixtrans-55.6-40.2175.5-178.9-169.371.6-167.40112.1G226 F229 S230 L233 A265 E266 R267 S273 F300G226-K269 PolarHBondContact O-NZ 3.41Å; F229-K269 HydrophobicContact CB-CD 3.84Å; S230-K269 PolarHBondContact OG-NZ 2.84Å; L233-K269 HydrophobicContact CD2-CB 4.46Å; A265-K269 VanDerWaalsContact O-CB 3.24Å; A265-K269 WeakPolarHBondContact O-CB 3.37Å; A265-K269 PolarHBondContact O-N 3.39Å; E266-K269 WeakPolarHBondContact OE1-CE 3.38Å; E266-K269 IonicContact OE1-NZ 2.87Å; E266-K269 PolarHBondContact OE1-NZ 3.24Å; E266-K269 IonicContact OE2-NZ 2.8Å; E266-K269 PolarHBondContact OE2-NZ 3.42Å; R267-K269 PolarHBondContact O-N 3.4Å; K269-S273 PolarHBondContact O-N 2.67Å; K269-S273 PolarHBondContact O-OG 2.73Å; K269-F300 HydrophobicContact CD-CZ 4.48Å; K269-F300 HydrophobicContact CG-CE1 4.49Å; K269-F300 HydrophobicContact CG-CE2 4.41Å; K269-F300 HydrophobicContact CG-CZ 3.9Å
270K97.3Very high97.7Very high105 Ų10545.3 Ų45.346%0.45723%0.228SC..Hα-helixtrans-66.4-44.7176.4-68.4168.1-178.4175.40111.1E266 R267 V268 S273E266-K270 WeakPolarHBondContact O-CG 3.38Å; E266-K270 PolarHBondContact O-N 3.27Å; R267-K270 WeakPolarHBondContact O-CB 3.48Å; R267-K270 PolarHBondContact O-N 2.71Å; R267-K270 VanDerWaalsContact O-N 3.15Å; V268-K270 PolarHBondContact O-N 2.95Å; K270-S273 VanDerWaalsContact O-CB 3.32Å; K270-S273 WeakPolarHBondContact O-CB 3.47Å; K270-S273 PolarHBondContact O-N 2.86Å; K270-S273 VanDerWaalsContact O-N 3.13Å
271I98.1Very high97.7Very high47 Ų4747.8 Ų47.824%0.24124%0.241CC..Hα-helixtrans-61.1-47.6177.4-65.4169.4000110.7R267 V268 S273 T274 N275 A278R267-I271 HydrophobicContact CG-CD1 4.22Å; R267-I271 PolarHBondContact O-N 2.82Å; R267-I271 VanDerWaalsContact O-N 3.1Å; V268-I271 PolarHBondContact O-N 2.83Å; V268-I271 VanDerWaalsContact O-N 3.09Å; I271-S273 PolarHBondContact O-N 3.11Å; I271-S273 VanDerWaalsContact O-N 3.12Å; I271-T274 PolarHBondContact O-N 2.77Å; I271-N275 HydrophobicContact CG2-CB 4.22Å; I271-N275 PolarHBondContact O-N 2.86Å; I271-A278 HydrophobicContact CB-CB 4.33Å; I271-A278 HydrophobicContact CG2-CB 3.84Å
272L98.3Very high97.6Very high1 Ų148.7 Ų48.71%0.00525%0.248CC..Hα-helixtrans-64.3-15.9178-68.1179.2000113.6V268 T274 N275 D277 A278 I295 R297 F300V268-L272 HydrophobicContact CG1-CD1 3.75Å; V268-L272 HydrophobicContact CG1-CG 3.99Å; V268-L272 WeakPolarHBondContact O-CB 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.35Å; V268-L272 PolarHBondContact O-N 3.32Å; L272-T274 VanDerWaalsContact C-N 3.27Å; L272-N275 CarbonylContact C-O 3.54Å; L272-N275 WeakPolarHBondContact CA-O 3.4Å; L272-D277 VanDerWaalsContact CD2-C 3.49Å; L272-A278 HydrophobicContact CD2-CB 3.81Å; L272-A278 HydrophobicContact CG-CB 4.1Å; L272-I295 HydrophobicContact CD1-CG2 4.35Å; L272-R297 HydrophobicContact CD2-CB 4.33Å; L272-R297 PolarHBondContact O-NE 3.49Å; L272-R297 PolarHBondContact O-NH2 3.09Å; L272-F300 HydrophobicContact CD1-CB 3.65Å; L272-F300 HydrophobicContact CD1-CD1 4.26Å; L272-F300 HydrophobicContact CD1-CG 3.97Å
273S96.9Very high97.5Very high29 Ų2955.3 Ų55.320%0.20328%0.279CS..Hα-helixtrans-74.2-20.9172.3-57.80000112.7K269 K270 I271 P342K269-S273 PolarHBondContact O-N 2.67Å; K269-S273 PolarHBondContact O-OG 2.73Å; K270-S273 VanDerWaalsContact O-CB 3.32Å; K270-S273 WeakPolarHBondContact O-CB 3.47Å; K270-S273 PolarHBondContact O-N 2.86Å; K270-S273 VanDerWaalsContact O-N 3.13Å; I271-S273 PolarHBondContact O-N 3.11Å; I271-S273 VanDerWaalsContact O-N 3.12Å; S273-P342 WeakPolarHBondContact O-CG 3.4Å
274T96.5Very high97.5Very high114 Ų11456.3 Ų56.370%0.69929%0.289SS*.Hα-helixtrans-105.5-45.9175.7-53.20000110.8I271 L272 R297I271-T274 PolarHBondContact O-N 2.77Å; L272-T274 VanDerWaalsContact C-N 3.27Å; T274-R297 PolarHBondContact O-NH2 3.48Å
275N97.7Very high97.4Very high79 Ų7955.5 Ų55.542%0.42229%0.285SS..SBendtrans-103.2157.6-172.1-58.3-13.2000112.3I271 L272 D277 R297I271-N275 HydrophobicContact CG2-CB 4.22Å; I271-N275 PolarHBondContact O-N 2.86Å; L272-N275 CarbonylContact C-O 3.54Å; L272-N275 WeakPolarHBondContact CA-O 3.4Å; N275-D277 WeakPolarHBondContact CB-O 3.46Å; N275-R297 VanDerWaalsContact O-CZ 3.28Å; N275-R297 PolarHBondContact O-NE 2.74Å; N275-R297 VanDerWaalsContact O-NE 3.15Å; N275-R297 PolarHBondContact O-NH2 2.92Å
276T97.9Very high97.3Very high96 Ų9656 Ų5659%0.58929%0.287SS*.SBendtrans-80.9-1817945.90000113.4R297T276-R297 WeakPolarHBondContact O-CB 3.5Å; T276-R297 PolarHBondContact O-N 3.33Å
277D97.8Very high97.3Very high96 Ų9658.3 Ų58.351%0.51330%0.298SS..EExtended strand (participates in β ladder)trans-143.1168175.655.326.4000111L272 N275 I295 T296L272-D277 VanDerWaalsContact CD2-C 3.49Å; N275-D277 WeakPolarHBondContact CB-O 3.46Å; D277-I295 WeakPolarHBondContact CA-O 3.3Å; D277-T296 HydrophobicContact CB-CG2 4.46Å
278A97.8Very high97.2Very high11 Ų1156.6 Ų56.69%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-152152.4174.100000109.2V268 I271 L272 I295V268-A278 HydrophobicContact CG1-CB 3.89Å; I271-A278 HydrophobicContact CB-CB 4.33Å; I271-A278 HydrophobicContact CG2-CB 3.84Å; L272-A278 HydrophobicContact CD2-CB 3.81Å; L272-A278 HydrophobicContact CG-CB 4.1Å; A278-I295 HydrophobicContact CB-CG2 4.28Å; A278-I295 PolarHBondContact N-O 2.89Å; A278-I295 PolarHBondContact O-N 2.66Å
279Y96.6Very high97.1Very high125 Ų12559.1 Ų59.149%0.4932%0.322SS..EExtended strand (participates in β ladder)trans-102.9111.5168.8-156-100.5000108.8R267 R292 P294R267-Y279 PolarHBondContact NH2-O 3.34Å; Y279-R292 HydrophobicContact CE1-CB 3.84Å; Y279-R292 HydrophobicContact CE1-CG 4.26Å; Y279-P294 HydrophobicContact CD2-CB 4.13Å; Y279-P294 HydrophobicContact CE2-CB 4.28Å
280A98.1Very high97.1Very high0 Ų061.4 Ų61.40%034%0.335CS..EExtended strand (participates in β ladder)trans-80.3131.5177.700000109.5F237 E264 V268 F291 R292 A293F237-A280 HydrophobicContact CE1-CB 3.82Å; F237-A280 HydrophobicContact CE2-CB 3.89Å; F237-A280 HydrophobicContact CZ-CB 3.44Å; F237-A280 VanDerWaalsContact CZ-CB 3.44Å; E264-A280 HydrophobicContact CG-CB 4.41Å; E264-A280 WeakPolarHBondContact OE1-CA 3.22Å; V268-A280 HydrophobicContact CG2-CB 3.81Å; A280-F291 HydrophobicContact CB-CE1 3.8Å; A280-F291 HydrophobicContact CB-CZ 4.5Å; A280-R292 CarbonylContact O-C 3.49Å; A280-R292 VanDerWaalsContact O-CA 3.28Å; A280-R292 WeakPolarHBondContact O-CA 3.46Å; A280-A293 WeakPolarHBondContact CB-O 3.35Å; A280-A293 PolarHBondContact N-O 2.87Å; A280-A293 PolarHBondContact O-N 2.8Å
281Q97.5Very high97.1Very high104 Ų10456.5 Ų56.549%0.48631%0.314SS..EExtended strand (participates in β ladder)trans-147.9136.4-178.463.6-175.88.500112.5E264 F291 R292E264-Q281 PolarHBondContact OE1-N 3.4Å; Q281-F291 CarbonylContact C-O 3.58Å; Q281-F291 VanDerWaalsContact CA-O 3.27Å; Q281-F291 WeakPolarHBondContact CA-O 3.47Å; Q281-R292 HydrophobicContact CB-CG 4.39Å
282A96.3Very high97.1Very high18 Ų1861.3 Ų61.315%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-151.1135.417300000110.7V285 F291A282-V285 HydrophobicContact CB-CG2 3.51Å; A282-V285 WeakPolarHBondContact O-CG2 3.43Å; A282-F291 HydrophobicContact CB-CB 4.44Å; A282-F291 PolarHBondContact N-O 3.42Å; A282-F291 PolarHBondContact O-N 2.86Å
283E96.1Very high97Very high149 Ų14961.6 Ų61.670%0.69633%0.332SS*.EExtended strand (participates in β ladder)trans-86.7141.9-177.1-63.6179.8173.100112.6K260 V285 D290K260-E283 PolarHBondContact NZ-O 3.39Å; E283-V285 VanDerWaalsContact C-N 3.27Å; E283-V285 PolarHBondContact O-N 2.78Å; E283-D290 WeakPolarHBondContact CA-OD1 3.34Å
284S95.4Very high97.1Very high59 Ų5964.7 Ų64.741%0.41335%0.351SS..EExtended strand (participates in β ladder)trans43.753.3175-68.20000111.7K260 N289 D290K260-S284 PolarHBondContact NZ-O 3.25Å; S284-N289 CarbonylContact C-O 3.6Å; S284-N289 WeakPolarHBondContact CA-O 3.36Å; S284-D290 PolarHBondContact N-OD1 3.11Å
285V96.8Very high97.1Very high0 Ų059.4 Ų59.40%032%0.318CS..EExtended strand (participates in β ladder)trans-63.6-52-174.7170.70000109.9F241 V251 A257 L261 A282 E283 N289 F291F241-V285 HydrophobicContact CD2-CB 4.32Å; F241-V285 HydrophobicContact CD2-CG1 4.33Å; F241-V285 HydrophobicContact CE2-CB 3.87Å; F241-V285 HydrophobicContact CE2-CG1 4.19Å; F241-V285 HydrophobicContact CZ-CB 4.43Å; V251-V285 HydrophobicContact CG2-CG1 4.31Å; A257-V285 WeakPolarHBondContact CA-O 3.28Å; A257-V285 HydrophobicContact CB-CG1 3.91Å; A257-V285 WeakPolarHBondContact CB-O 3.35Å; L261-V285 HydrophobicContact CD1-CG1 4.2Å; L261-V285 HydrophobicContact CD2-CG1 3.91Å; L261-V285 HydrophobicContact CD2-CG2 4.24Å; L261-V285 HydrophobicContact CG-CG1 3.86Å; A282-V285 HydrophobicContact CB-CG2 3.51Å; A282-V285 WeakPolarHBondContact O-CG2 3.43Å; E283-V285 VanDerWaalsContact C-N 3.27Å; E283-V285 PolarHBondContact O-N 2.78Å; V285-N289 PolarHBondContact N-O 2.96Å; V285-F291 HydrophobicContact CB-CB 4.45Å; V285-F291 HydrophobicContact CG2-CB 3.66Å
286H97.4Very high97.2Very high10 Ų1058.1 Ų58.15%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-150.4135.9-178.1-17358.2000111.1F241 V249 V251 D254 A257 G288 N289F241-H286 HydrophobicContact CE1-CB 3.78Å; F241-H286 HydrophobicContact CZ-CB 3.71Å; V249-H286 PolarHBondContact O-NE2 3.36Å; V251-H286 HydrophobicContact CB-CB 4.41Å; V251-H286 HydrophobicContact CG2-CB 3.88Å; D254-H286 VanDerWaalsContact CB-CE1 3.5Å; D254-H286 WeakPolarHBondContact CB-CE1 3.26Å; D254-H286 VanDerWaalsContact CB-ND1 3.33Å; D254-H286 WeakPolarHBondContact CB-ND1 3.32Å; D254-H286 IonicContact OD2-CE1 3.36Å; D254-H286 IonicContact OD2-CG 2.78Å; D254-H286 IonicContact OD2-ND1 3.66Å; D254-H286 PolarHBondContact OD2-ND1 2.86Å; A257-H286 HydrophobicContact CB-CB 3.94Å; H286-G288 PolarHBondContact O-N 2.7Å; H286-G288 VanDerWaalsContact O-N 3.1Å; H286-N289 PolarHBondContact O-N 3.12Å; H286-N289 PolarHBondContact O-ND2 3.3Å
287E96.5Very high97.2Very high78 Ų7856 Ų5636%0.36429%0.294SS..THydrogen-bonded Turntrans49.335.3-177.2-63-174.5-176.700114.5T247 K248 V249 N289T247-E287 VanDerWaalsContact CA-OE2 3.29Å; T247-E287 WeakPolarHBondContact CA-OE2 3.45Å; T247-E287 WeakPolarHBondContact CB-OE2 3.39Å; T247-E287 HydrophobicContact CG2-CB 4.39Å; K248-E287 WeakPolarHBondContact CB-OE1 3.41Å; K248-E287 VanDerWaalsContact N-CD 3.31Å; K248-E287 PolarHBondContact N-OE1 3.4Å; K248-E287 PolarHBondContact N-OE2 3.31Å; V249-E287 PolarHBondContact N-OE1 3.33Å; E287-N289 PolarHBondContact O-N 3.22Å; E287-N289 PolarHBondContact O-ND2 2.85Å
288G95Very high97.2Very high55 Ų5555.4 Ų55.457%0.56730%0.295SS*.THydrogen-bonded Turntrans78.1-1.5179.200000115.1H286H286-G288 PolarHBondContact O-N 2.7Å; H286-G288 VanDerWaalsContact O-N 3.1Å
289N97.3Very high97.2Very high52 Ų5258.6 Ų58.628%0.27831%0.308SS..EExtended strand (participates in β ladder)trans-85.1139178-56.3-74.6000111.5F241 H245 S284 V285 H286 E287F241-N289 HydrophobicContact CE2-CB 4.06Å; F241-N289 HydrophobicContact CZ-CB 3.87Å; H245-N289 HydrophobicContact CB-CB 4.42Å; S284-N289 CarbonylContact C-O 3.6Å; S284-N289 WeakPolarHBondContact CA-O 3.36Å; V285-N289 PolarHBondContact N-O 2.96Å; H286-N289 PolarHBondContact O-N 3.12Å; H286-N289 PolarHBondContact O-ND2 3.3Å; E287-N289 PolarHBondContact O-N 3.22Å; E287-N289 PolarHBondContact O-ND2 2.85Å
290D97.3Very high97.3Very high61 Ų6152.7 Ų52.733%0.32629%0.285SS..EExtended strand (participates in β ladder)trans-79.7156.5172.6-63.3-21.2000111H245 E283 S284H245-D290 PolarHBondContact CE1-O 2.86Å; H245-D290 PolarHBondContact NE2-O 3.22Å; E283-D290 WeakPolarHBondContact CA-OD1 3.34Å; S284-D290 PolarHBondContact N-OD1 3.11Å
291F97.8Very high97.3Very high3 Ų354.4 Ų54.41%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-110.5130.9171.1175.6-113.7000109.5F237 L240 F241 L261 A280 Q281 A282 V285 A293F237-F291 HydrophobicContact CB-CE1 3.75Å; F237-F291 HydrophobicContact CB-CE2 4.28Å; F237-F291 HydrophobicContact CB-CZ 3.54Å; F237-F291 AromaticContact CD1-CE1 3.94Å; F237-F291 HydrophobicContact CD1-CE1 3.94Å; F237-F291 AromaticContact CD1-CZ 3.66Å; F237-F291 HydrophobicContact CD1-CZ 3.66Å; F237-F291 AromaticContact CD2-CE1 3.91Å; F237-F291 HydrophobicContact CD2-CE1 3.91Å; F237-F291 HydrophobicContact CD2-CZ 4.39Å; F237-F291 HydrophobicContact CE1-CE1 4.49Å; F237-F291 HydrophobicContact CE1-CZ 4.44Å; F237-F291 HydrophobicContact CE2-CE1 4.45Å; F237-F291 AromaticContact CG-CE1 3.62Å; F237-F291 HydrophobicContact CG-CE1 3.62Å; F237-F291 AromaticContact CG-CZ 3.63Å; F237-F291 HydrophobicContact CG-CZ 3.63Å; F237-F291 WeakPolarHBondContact O-CE2 2.8Å; L240-F291 HydrophobicContact CB-CE2 3.95Å; L240-F291 HydrophobicContact CB-CZ 4.48Å; F241-F291 HydrophobicContact CB-CD2 3.92Å; F241-F291 HydrophobicContact CB-CE2 4.35Å; F241-F291 HydrophobicContact CD2-CB 3.92Å; F241-F291 HydrophobicContact CD2-CD2 4.05Å; F241-F291 HydrophobicContact CD2-CG 4.41Å; F241-F291 HydrophobicContact CE2-CB 4.49Å; L261-F291 HydrophobicContact CD2-CB 4.36Å; L261-F291 HydrophobicContact CD2-CD1 3.87Å; L261-F291 HydrophobicContact CD2-CE1 4.35Å; L261-F291 HydrophobicContact CD2-CG 4.05Å; A280-F291 HydrophobicContact CB-CE1 3.8Å; A280-F291 HydrophobicContact CB-CZ 4.5Å; Q281-F291 CarbonylContact C-O 3.58Å; Q281-F291 VanDerWaalsContact CA-O 3.27Å; Q281-F291 WeakPolarHBondContact CA-O 3.47Å; A282-F291 HydrophobicContact CB-CB 4.44Å; A282-F291 PolarHBondContact N-O 3.42Å; A282-F291 PolarHBondContact O-N 2.86Å; V285-F291 HydrophobicContact CB-CB 4.45Å; V285-F291 HydrophobicContact CG2-CB 3.66Å; F291-A293 HydrophobicContact CE1-CB 4.43Å; F291-A293 HydrophobicContact CE2-CB 3.94Å; F291-A293 HydrophobicContact CZ-CB 3.64Å
292R97.1Very high97.3Very high148 Ų14855.9 Ų55.956%0.55830%0.3SS*.EExtended strand (participates in β ladder)trans-144.7128.1171.3-64-175.3-172.8-162.70.5109.4Y279 A280 Q281Y279-R292 HydrophobicContact CE1-CB 3.84Å; Y279-R292 HydrophobicContact CE1-CG 4.26Å; A280-R292 CarbonylContact O-C 3.49Å; A280-R292 VanDerWaalsContact O-CA 3.28Å; A280-R292 WeakPolarHBondContact O-CA 3.46Å; Q281-R292 HydrophobicContact CB-CG 4.39Å
293A97.4Very high97.4Very high7 Ų757.9 Ų57.96%0.05831%0.307CS..EExtended strand (participates in β ladder)trans-155.3135.9175.400000112L240 A280 F291L240-A293 HydrophobicContact CD1-CB 3.81Å; A280-A293 WeakPolarHBondContact CB-O 3.35Å; A280-A293 PolarHBondContact N-O 2.87Å; A280-A293 PolarHBondContact O-N 2.8Å; F291-A293 HydrophobicContact CE1-CB 4.43Å; F291-A293 HydrophobicContact CE2-CB 3.94Å; F291-A293 HydrophobicContact CZ-CB 3.64Å
294P97.6Very high97.5Very high94 Ų9450.8 Ų50.861%0.6127%0.274SS*.EExtended strand (participates in β ladder)trans-69.9146.8165.532-33.6000110Y279Y279-P294 HydrophobicContact CD2-CB 4.13Å; Y279-P294 HydrophobicContact CE2-CB 4.28Å
295I98.2Very high97.6Very high3 Ų350.3 Ų50.32%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-146.6132.6172.1-17572.6000109.7L233 F237 V268 L272 D277 A278 E299L233-I295 HydrophobicContact CD1-CG1 4.12Å; F237-I295 HydrophobicContact CE1-CG2 4.32Å; F237-I295 HydrophobicContact CZ-CG2 4.39Å; V268-I295 HydrophobicContact CG1-CG2 3.58Å; L272-I295 HydrophobicContact CD1-CG2 4.35Å; D277-I295 WeakPolarHBondContact CA-O 3.3Å; A278-I295 HydrophobicContact CB-CG2 4.28Å; A278-I295 PolarHBondContact N-O 2.89Å; A278-I295 PolarHBondContact O-N 2.66Å; I295-E299 HydrophobicContact CD1-CB 3.64Å
296T98.4Very high97.6Very high52 Ų5253.7 Ų53.732%0.31929%0.292SS..EExtended strand (participates in β ladder)trans-93.9156.6176.865.30000111.4D277 T298 E299 F300D277-T296 HydrophobicContact CB-CG2 4.46Å; T296-T298 PolarHBondContact O-N 3.07Å; T296-E299 PolarHBondContact N-OE2 2.98Å; T296-E299 PolarHBondContact O-N 3.19Å; T296-E299 VanDerWaalsContact OG1-CG 3.24Å; T296-E299 WeakPolarHBondContact OG1-CG 3.07Å; T296-E299 PolarHBondContact OG1-N 2.95Å; T296-E299 VanDerWaalsContact OG1-N 3.16Å; T296-E299 PolarHBondContact OG1-OE2 3.39Å; T296-F300 PolarHBondContact O-N 2.85Å
297R98.4Very high97.6Very high50 Ų5053.2 Ų53.219%0.18929%0.29CS..Hα-helixtrans-56.8-41.1170.9-177.7-172.3-65170.1-1.8110.5L272 T274 N275 T276 E299 F300 E301L272-R297 HydrophobicContact CD2-CB 4.33Å; L272-R297 PolarHBondContact O-NE 3.49Å; L272-R297 PolarHBondContact O-NH2 3.09Å; T274-R297 PolarHBondContact O-NH2 3.48Å; N275-R297 VanDerWaalsContact O-CZ 3.28Å; N275-R297 PolarHBondContact O-NE 2.74Å; N275-R297 VanDerWaalsContact O-NE 3.15Å; N275-R297 PolarHBondContact O-NH2 2.92Å; T276-R297 WeakPolarHBondContact O-CB 3.5Å; T276-R297 PolarHBondContact O-N 3.33Å; R297-E299 PolarHBondContact O-N 2.8Å; R297-F300 PolarHBondContact O-N 3.29Å; R297-E301 WeakPolarHBondContact CD-OE1 3.12Å; R297-E301 HydrophobicContact CG-CG 4.25Å; R297-E301 WeakPolarHBondContact CG-OE1 3.49Å; R297-E301 WeakPolarHBondContact O-CB 3.4Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.35Å; R297-E301 PolarHBondContact O-N 3.28Å
298T98.2Very high97.7Very high85 Ų8550 Ų5052%0.52127%0.274SS..Hα-helixtrans-59.4-45.7178.3-55.80000111.9T296 E301 Q302T296-T298 PolarHBondContact O-N 3.07Å; T298-E301 PolarHBondContact O-N 2.85Å; T298-Q302 VanDerWaalsContact O-CG 3.27Å; T298-Q302 WeakPolarHBondContact O-CG 3.23Å; T298-Q302 PolarHBondContact O-N 2.85Å
299E97.9Very high97.7Very high77 Ų7753.4 Ų53.436%0.3628%0.28SS..Hα-helixtrans-64.7-43.8175.9-71.7165.412800111.6I295 T296 R297 E301 Q302 L303I295-E299 HydrophobicContact CD1-CB 3.64Å; T296-E299 PolarHBondContact N-OE2 2.98Å; T296-E299 PolarHBondContact O-N 3.19Å; T296-E299 VanDerWaalsContact OG1-CG 3.24Å; T296-E299 WeakPolarHBondContact OG1-CG 3.07Å; T296-E299 PolarHBondContact OG1-N 2.95Å; T296-E299 VanDerWaalsContact OG1-N 3.16Å; T296-E299 PolarHBondContact OG1-OE2 3.39Å; R297-E299 PolarHBondContact O-N 2.8Å; E299-E301 VanDerWaalsContact C-N 3.32Å; E299-E301 PolarHBondContact O-N 3.23Å; E299-Q302 PolarHBondContact O-N 3.49Å; E299-L303 VanDerWaalsContact O-CG 3.28Å; E299-L303 WeakPolarHBondContact O-CG 3.38Å; E299-L303 PolarHBondContact O-N 2.77Å
300F98.4Very high97.7Very high2 Ų254.2 Ų54.21%0.00928%0.279CS..Hα-helixtrans-58.5-43.7175.2166.3-113.7000112.3F229 L233 K269 L272 T296 R297 L303 C304 V341F229-F300 HydrophobicContact CB-CE2 4.02Å; F229-F300 HydrophobicContact CB-CZ 3.91Å; F229-F300 HydrophobicContact CD1-CE2 4.45Å; F229-F300 AromaticContact CD1-CZ 3.98Å; F229-F300 HydrophobicContact CD1-CZ 3.98Å; F229-F300 HydrophobicContact CG-CZ 4.25Å; L233-F300 HydrophobicContact CB-CD2 4.49Å; L233-F300 HydrophobicContact CD1-CD2 4.49Å; L233-F300 HydrophobicContact CD2-CD2 4.38Å; K269-F300 HydrophobicContact CD-CZ 4.48Å; K269-F300 HydrophobicContact CG-CE1 4.49Å; K269-F300 HydrophobicContact CG-CE2 4.41Å; K269-F300 HydrophobicContact CG-CZ 3.9Å; L272-F300 HydrophobicContact CD1-CB 3.65Å; L272-F300 HydrophobicContact CD1-CD1 4.26Å; L272-F300 HydrophobicContact CD1-CG 3.97Å; T296-F300 PolarHBondContact O-N 2.85Å; R297-F300 PolarHBondContact O-N 3.29Å; F300-L303 PolarHBondContact O-N 3.4Å; F300-C304 PolarHBondContact O-N 3.42Å; F300-C304 PolarHBondContact O-SG 3.47Å; F300-V341 HydrophobicContact CE1-CG1 4Å
301E98.1Very high97.7Very high35 Ų3551.3 Ų51.316%0.16426%0.264CS..Hα-helixtrans-65.5-40.4177.2-72.8178.5-175.800111.7R297 T298 E299 L303 C304 A305 F308 K343R297-E301 WeakPolarHBondContact CD-OE1 3.12Å; R297-E301 HydrophobicContact CG-CG 4.25Å; R297-E301 WeakPolarHBondContact CG-OE1 3.49Å; R297-E301 WeakPolarHBondContact O-CB 3.4Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.35Å; R297-E301 PolarHBondContact O-N 3.28Å; T298-E301 PolarHBondContact O-N 2.85Å; E299-E301 VanDerWaalsContact C-N 3.32Å; E299-E301 PolarHBondContact O-N 3.23Å; E301-L303 VanDerWaalsContact C-N 3.34Å; E301-L303 PolarHBondContact O-N 2.8Å; E301-C304 CarbonylContact O-C 3.59Å; E301-C304 PolarHBondContact O-N 3.16Å; E301-C304 VanDerWaalsContact O-N 3.13Å; E301-A305 PolarHBondContact O-N 3.22Å; E301-A305 VanDerWaalsContact O-N 3.17Å; E301-F308 HydrophobicContact CB-CE2 4.01Å; E301-F308 HydrophobicContact CG-CE2 4.25Å; E301-F308 HydrophobicContact CG-CZ 4.32Å; E301-F308 VanDerWaalsContact O-CE2 3.28Å; E301-F308 WeakPolarHBondContact O-CE2 3.47Å; E301-K343 HydrophobicContact CG-CB 3.86Å; E301-K343 HydrophobicContact CG-CG 4.25Å
302Q98Very high97.6Very high136 Ų13655.9 Ų55.964%0.63629%0.285SS*.Hα-helixtrans-62.1-41.1175.1-74.2171.31.300112.1T298 E299 C304 A305T298-Q302 VanDerWaalsContact O-CG 3.27Å; T298-Q302 WeakPolarHBondContact O-CG 3.23Å; T298-Q302 PolarHBondContact O-N 2.85Å; E299-Q302 PolarHBondContact O-N 3.49Å; Q302-C304 PolarHBondContact O-N 3.21Å; Q302-A305 PolarHBondContact O-N 2.86Å
303L97.7Very high97.5Very high60 Ų6050.8 Ų50.831%0.31427%0.274SS..Hα-helixtrans-61-24.7176.1-70.2168.6000112.9R232 K236 E299 F300 E301R232-L303 WeakPolarHBondContact CD-O 3.49Å; K236-L303 HydrophobicContact CB-CD1 3.81Å; K236-L303 HydrophobicContact CB-CD2 4.48Å; K236-L303 HydrophobicContact CD-CD1 4.46Å; K236-L303 HydrophobicContact CD-CD2 4.48Å; K236-L303 HydrophobicContact CG-CD1 3.87Å; E299-L303 VanDerWaalsContact O-CG 3.28Å; E299-L303 WeakPolarHBondContact O-CG 3.38Å; E299-L303 PolarHBondContact O-N 2.77Å; F300-L303 PolarHBondContact O-N 3.4Å; E301-L303 VanDerWaalsContact C-N 3.34Å; E301-L303 PolarHBondContact O-N 2.8Å
304C98.1Very high97.4Very high0 Ų050.5 Ų50.50%027%0.272CS..THydrogen-bonded Turntrans-112.415-173.8-55.50000113.7F229 F300 E301 Q302 D306 L307 F308F229-C304 HydrophobicContact CD1-CB 3.75Å; F229-C304 HydrophobicContact CE1-CB 3.98Å; F300-C304 PolarHBondContact O-N 3.42Å; F300-C304 PolarHBondContact O-SG 3.47Å; E301-C304 CarbonylContact O-C 3.59Å; E301-C304 PolarHBondContact O-N 3.16Å; E301-C304 VanDerWaalsContact O-N 3.13Å; Q302-C304 PolarHBondContact O-N 3.21Å; C304-D306 PolarHBondContact O-N 2.64Å; C304-L307 HydrophobicContact CB-CD1 4.31Å; C304-L307 WeakPolarHBondContact O-CB 3.1Å; C304-L307 PolarHBondContact O-N 3.44Å; C304-F308 HydrophobicContact CB-CE2 3.92Å; C304-F308 HydrophobicContact CB-CZ 3.93Å; C304-F308 WeakPolarHBondContact O-CD2 3.43Å; C304-F308 PolarHBondContact O-N 3.13Å
305A97.8Very high97.3Very high48 Ų4846 Ų4640%0.39724%0.243SC..Hα-helixtrans-52.5-41.6-177.200000112.7E301 Q302 L307 F308 D309E301-A305 PolarHBondContact O-N 3.22Å; E301-A305 VanDerWaalsContact O-N 3.17Å; Q302-A305 PolarHBondContact O-N 2.86Å; A305-L307 PolarHBondContact O-N 2.92Å; A305-F308 PolarHBondContact O-N 3.13Å; A305-F308 VanDerWaalsContact O-N 3.09Å; A305-D309 PolarHBondContact O-N 2.89Å
306D97.2Very high97.1Very high72 Ų7249.2 Ų49.239%0.38526%0.262SS..Hα-helixtrans-63.3-28.1179.873.8-61.6000113.7R232 C304 R310R232-D306 IonicContact CZ-OD1 2.88Å; R232-D306 IonicContact CZ-OD2 2.96Å; R232-D306 IonicContact NE-OD1 2.8Å; R232-D306 PolarHBondContact NE-OD1 3.06Å; R232-D306 IonicContact NE-OD2 2.72Å; R232-D306 IonicContact NH2-OD1 3.03Å; R232-D306 PolarHBondContact NH2-OD1 3.37Å; R232-D306 IonicContact NH2-OD2 3.27Å; R232-D306 PolarHBondContact NH2-OD2 2.91Å; C304-D306 PolarHBondContact O-N 2.64Å; D306-R310 WeakPolarHBondContact O-CD 3.46Å
307L97.8Very high96.7Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-77.1-36.5175.1-59.6-178.1000111.4L224 E228 F229 C304 A305 D309 R310L224-L307 HydrophobicContact CD1-CB 3.87Å; L224-L307 HydrophobicContact CD1-CD2 4.09Å; L224-L307 HydrophobicContact CD1-CG 4.5Å; L224-L307 WeakPolarHBondContact CD1-O 3.22Å; E228-L307 HydrophobicContact CB-CD1 3.7Å; E228-L307 HydrophobicContact CB-CD2 4.12Å; F229-L307 HydrophobicContact CD1-CD1 3.68Å; F229-L307 HydrophobicContact CD2-CD1 4.42Å; F229-L307 HydrophobicContact CE1-CB 3.97Å; F229-L307 HydrophobicContact CE1-CD1 3.68Å; F229-L307 HydrophobicContact CE1-CG 4.49Å; F229-L307 HydrophobicContact CE2-CD1 4.46Å; F229-L307 HydrophobicContact CG-CD1 4.05Å; F229-L307 HydrophobicContact CZ-CB 4.2Å; F229-L307 HydrophobicContact CZ-CD1 4.1Å; C304-L307 HydrophobicContact CB-CD1 4.31Å; C304-L307 WeakPolarHBondContact O-CB 3.1Å; C304-L307 PolarHBondContact O-N 3.44Å; A305-L307 PolarHBondContact O-N 2.92Å; L307-D309 VanDerWaalsContact C-N 3.32Å; L307-D309 PolarHBondContact O-N 3.39Å; L307-R310 PolarHBondContact O-N 2.91Å
308F97.6Very high96.4Very high9 Ų946.7 Ų46.74%0.03925%0.249CC..Hα-helixtrans-67.8-33.4-179.2-59.4-44.5000112.4F229 E301 C304 A305 R310 I311 V341 K343 V344 K347F229-F308 HydrophobicContact CD1-CE1 4.46Å; F229-F308 HydrophobicContact CE1-CD1 4.16Å; F229-F308 AromaticContact CE1-CE1 3.47Å; F229-F308 HydrophobicContact CE1-CE1 3.47Å; F229-F308 VanDerWaalsContact CE1-CE1 3.47Å; F229-F308 AromaticContact CE1-CZ 3.97Å; F229-F308 HydrophobicContact CE1-CZ 3.97Å; F229-F308 HydrophobicContact CZ-CE1 4.06Å; E301-F308 HydrophobicContact CB-CE2 4.01Å; E301-F308 HydrophobicContact CG-CE2 4.25Å; E301-F308 HydrophobicContact CG-CZ 4.32Å; E301-F308 VanDerWaalsContact O-CE2 3.28Å; E301-F308 WeakPolarHBondContact O-CE2 3.47Å; C304-F308 HydrophobicContact CB-CE2 3.92Å; C304-F308 HydrophobicContact CB-CZ 3.93Å; C304-F308 WeakPolarHBondContact O-CD2 3.43Å; C304-F308 PolarHBondContact O-N 3.13Å; A305-F308 PolarHBondContact O-N 3.13Å; A305-F308 VanDerWaalsContact O-N 3.09Å; F308-R310 PolarHBondContact O-N 3.12Å; F308-I311 HydrophobicContact CB-CD1 4.28Å; F308-I311 HydrophobicContact CD1-CD1 3.89Å; F308-I311 WeakPolarHBondContact O-CB 3.32Å; F308-I311 WeakPolarHBondContact O-CG1 3.36Å; F308-I311 PolarHBondContact O-N 2.87Å; F308-V341 HydrophobicContact CE1-CG1 4.29Å; F308-V341 HydrophobicContact CZ-CG1 4.4Å; F308-K343 HydrophobicContact CD1-CB 4.25Å; F308-K343 HydrophobicContact CD1-CG 4.04Å; F308-K343 HydrophobicContact CD2-CB 4.35Å; F308-K343 HydrophobicContact CD2-CG 3.57Å; F308-K343 HydrophobicContact CE1-CB 3.75Å; F308-K343 HydrophobicContact CE1-CG 3.97Å; F308-K343 HydrophobicContact CE2-CB 3.87Å; F308-K343 HydrophobicContact CE2-CG 3.49Å; F308-K343 VanDerWaalsContact CE2-CG 3.49Å; F308-K343 HydrophobicContact CG-CG 3.87Å; F308-K343 HydrophobicContact CZ-CB 3.55Å; F308-K343 HydrophobicContact CZ-CG 3.71Å; F308-V344 HydrophobicContact CD1-CG2 4.19Å; F308-V344 HydrophobicContact CE1-CG2 3.88Å; F308-K347 HydrophobicContact CB-CG 4.42Å
309D96.1Very high96.2Very high128 Ų12843.2 Ų43.268%0.68423%0.227SC*.THydrogen-bonded Turntrans-64.2-19.2175.3-67.5-21000113A305 L307A305-D309 PolarHBondContact O-N 2.89Å; L307-D309 VanDerWaalsContact C-N 3.32Å; L307-D309 PolarHBondContact O-N 3.39Å
310R96.1Very high95.9Very high68 Ų6848 Ų4826%0.25725%0.247SC..THydrogen-bonded Turntrans-92.2-7.9-179.4-66.3164.458.5-166.6-0.9113.8D221 Y223 L224 D306 L307 F308 E312 A313 P314D221-R310 IonicContact OD1-NH2 3.21Å; D221-R310 PolarHBondContact OD1-NH2 2.96Å; D221-R310 IonicContact OD2-CZ 3.16Å; D221-R310 VanDerWaalsContact OD2-CZ 3.27Å; D221-R310 IonicContact OD2-NE 2.79Å; D221-R310 PolarHBondContact OD2-NE 2.87Å; D221-R310 IonicContact OD2-NH2 4Å; D221-R310 PolarHBondContact OD2-NH2 3.5Å; Y223-R310 PolarHBondContact O-NH1 3.12Å; Y223-R310 PolarHBondContact O-NH2 3.09Å; L224-R310 HydrophobicContact CD1-CB 4.46Å; L224-R310 HydrophobicContact CD2-CB 4.04Å; D306-R310 WeakPolarHBondContact O-CD 3.46Å; L307-R310 PolarHBondContact O-N 2.91Å; F308-R310 PolarHBondContact O-N 3.12Å; R310-E312 VanDerWaalsContact C-N 3.3Å; R310-E312 PolarHBondContact O-N 2.83Å; R310-A313 PolarHBondContact O-N 3.25Å; R310-P314 WeakPolarHBondContact O-CD 3.23Å
311I97.5Very high95.3Very high1 Ų149.3 Ų49.31%0.00525%0.253CS..SBendtrans-58.7-40.5-175-75.2174.5000112.5Y197 M199 F308 P314 V344 K347 L348 I351Y197-I311 WeakPolarHBondContact CE2-O 3.46Å; Y197-I311 WeakPolarHBondContact OH-CA 3.49Å; Y197-I311 WeakPolarHBondContact OH-CG2 3.16Å; Y197-I311 PolarHBondContact OH-O 3.49Å; M199-I311 HydrophobicContact CE-CG1 3.99Å; F308-I311 HydrophobicContact CB-CD1 4.28Å; F308-I311 HydrophobicContact CD1-CD1 3.89Å; F308-I311 WeakPolarHBondContact O-CB 3.32Å; F308-I311 WeakPolarHBondContact O-CG1 3.36Å; F308-I311 PolarHBondContact O-N 2.87Å; I311-P314 WeakPolarHBondContact O-CD 3.49Å; I311-V344 HydrophobicContact CD1-CB 4.14Å; I311-V344 HydrophobicContact CD1-CG1 4Å; I311-V344 HydrophobicContact CD1-CG2 4.03Å; I311-K347 HydrophobicContact CD1-CB 3.81Å; I311-K347 HydrophobicContact CD1-CG 4.17Å; I311-K347 HydrophobicContact CG2-CB 4.28Å; I311-L348 HydrophobicContact CG2-CD2 3.68Å; I311-L348 HydrophobicContact CG2-CG 3.98Å; I311-I351 HydrophobicContact CG2-CD1 3.99Å
312E96.5Very high94.9Very high98 Ų9848.3 Ų48.346%0.45825%0.251SS..SBendtrans-74.2-31.6-174-175.8174.2-162.400112.8R310 I315 V316 I351R310-E312 VanDerWaalsContact C-N 3.3Å; R310-E312 PolarHBondContact O-N 2.83Å; E312-I315 WeakPolarHBondContact O-CB 3.44Å; E312-I315 PolarHBondContact O-N 3.18Å; E312-V316 HydrophobicContact CG-CG2 3.64Å; E312-V316 PolarHBondContact O-N 2.63Å; E312-I351 HydrophobicContact CB-CD1 3.67Å; E312-I351 HydrophobicContact CB-CG1 4.3Å; E312-I351 HydrophobicContact CG-CD1 4.01Å; E312-I351 HydrophobicContact CG-CG1 4.2Å
313A94.5Very high94.5Very high41 Ų4149.1 Ų49.134%0.33926%0.26SS..Hα-helixtrans-57.2-44.8-16900000113.9R310 I315 V316 Q317R310-A313 PolarHBondContact O-N 3.25Å; A313-I315 VanDerWaalsContact C-N 3.29Å; A313-I315 PolarHBondContact O-N 3.46Å; A313-V316 PolarHBondContact O-N 2.94Å; A313-Q317 WeakPolarHBondContact O-CB 3.4Å; A313-Q317 WeakPolarHBondContact O-CG 3.29Å; A313-Q317 PolarHBondContact O-N 2.71Å
314P94.7Very high94.2Very high1 Ų147.7 Ų47.71%0.00625%0.252CS..Hα-helixtrans-59.6-35.9174.6-25.935.8000113.7T204 A206 D221 R310 I311 A318T204-P314 HydrophobicContact CG2-CG 4.04Å; A206-P314 HydrophobicContact CB-CB 4.02Å; D221-P314 HydrophobicContact CB-CG 4.27Å; R310-P314 WeakPolarHBondContact O-CD 3.23Å; I311-P314 WeakPolarHBondContact O-CD 3.49Å; P314-A318 VanDerWaalsContact O-CB 3.29Å; P314-A318 WeakPolarHBondContact O-CB 3.36Å; P314-A318 PolarHBondContact O-N 3.16Å
315I95.7Very high94Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-68.6-52-179.4-64161.4000110L195 Y197 A206 E312 A313 Q317 A318 L319 M326 L348 I351 F352L195-I315 HydrophobicContact CD1-CG2 3.97Å; Y197-I315 HydrophobicContact CD2-CD1 3.72Å; Y197-I315 HydrophobicContact CD2-CG1 3.6Å; Y197-I315 HydrophobicContact CE2-CD1 3.69Å; Y197-I315 HydrophobicContact CE2-CG1 3.71Å; A206-I315 HydrophobicContact CB-CG1 4.1Å; E312-I315 WeakPolarHBondContact O-CB 3.44Å; E312-I315 PolarHBondContact O-N 3.18Å; A313-I315 VanDerWaalsContact C-N 3.29Å; A313-I315 PolarHBondContact O-N 3.46Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.14Å; I315-A318 PolarHBondContact O-N 3.34Å; I315-A318 VanDerWaalsContact O-N 3.14Å; I315-L319 HydrophobicContact CG2-CD1 3.9Å; I315-L319 HydrophobicContact CG2-CG 4.47Å; I315-L319 WeakPolarHBondContact O-CG 3.49Å; I315-L319 PolarHBondContact O-N 3.15Å; I315-M326 HydrophobicContact CG2-CE 3.71Å; I315-M326 HydrophobicContact CG2-SD 4.35Å; I315-L348 HydrophobicContact CD1-CD2 3.74Å; I315-I351 HydrophobicContact CD1-CD1 4.29Å; I315-I351 HydrophobicContact CD1-CG2 4.27Å; I315-F352 HydrophobicContact CD1-CE2 3.74Å; I315-F352 HydrophobicContact CD1-CZ 3.81Å; I315-F352 HydrophobicContact CG1-CZ 4.28Å; I315-F352 HydrophobicContact CG2-CE1 4.45Å; I315-F352 HydrophobicContact CG2-CZ 4.05Å
316V94.3Very high93.8Very high70 Ų7052.5 Ų52.542%0.42427%0.27SS..Hα-helixtrans-60.2-43.2-179.5169.70000111.1E312 A313 L319 K320E312-V316 HydrophobicContact CG-CG2 3.64Å; E312-V316 PolarHBondContact O-N 2.63Å; A313-V316 PolarHBondContact O-N 2.94Å; V316-L319 PolarHBondContact O-N 3.31Å; V316-K320 WeakPolarHBondContact O-CB 3.32Å; V316-K320 PolarHBondContact O-N 3.35Å
317Q90.7Very high93.6Very high49 Ų4954.6 Ų54.623%0.22928%0.277CS..Hα-helixtrans-67.8-36.8178.7-61166.816.100111.3L219 A313 I315 K320 M321L219-Q317 HydrophobicContact CB-CB 3.86Å; L219-Q317 HydrophobicContact CD1-CB 3.98Å; L219-Q317 HydrophobicContact CD2-CB 4.45Å; L219-Q317 WeakPolarHBondContact CD2-O 3.47Å; L219-Q317 HydrophobicContact CG-CB 3.46Å; L219-Q317 VanDerWaalsContact CG-CB 3.46Å; A313-Q317 WeakPolarHBondContact O-CB 3.4Å; A313-Q317 WeakPolarHBondContact O-CG 3.29Å; A313-Q317 PolarHBondContact O-N 2.71Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.14Å; Q317-K320 PolarHBondContact O-N 3.43Å; Q317-M321 WeakPolarHBondContact O-CB 3.36Å; Q317-M321 PolarHBondContact O-N 2.89Å
318A92.6Very high93.4Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-65-44.8175.600000112.7A206 I208 L219 P314 I315 M321 A322A206-A318 HydrophobicContact CB-CB 4.13Å; I208-A318 HydrophobicContact CD1-CB 4.07Å; I208-A318 HydrophobicContact CG1-CB 4.37Å; L219-A318 HydrophobicContact CB-CB 4.24Å; L219-A318 HydrophobicContact CD2-CB 4.29Å; P314-A318 VanDerWaalsContact O-CB 3.29Å; P314-A318 WeakPolarHBondContact O-CB 3.36Å; P314-A318 PolarHBondContact O-N 3.16Å; I315-A318 PolarHBondContact O-N 3.34Å; I315-A318 VanDerWaalsContact O-N 3.14Å; A318-M321 PolarHBondContact O-N 3.3Å; A318-A322 WeakPolarHBondContact O-CB 3.21Å; A318-A322 PolarHBondContact O-N 3.08Å
319L93.1Very high93.2Very high12 Ų1258.6 Ų58.66%0.06330%0.296CS..Hα-helixtrans-59.7-45.7174.5-75.8169.1000111.5I208 I315 V316 M321 A322 D323 M324 M326 I329I208-L319 HydrophobicContact CD1-CD2 3.82Å; I208-L319 HydrophobicContact CD1-CG 4.14Å; I315-L319 HydrophobicContact CG2-CD1 3.9Å; I315-L319 HydrophobicContact CG2-CG 4.47Å; I315-L319 WeakPolarHBondContact O-CG 3.49Å; I315-L319 PolarHBondContact O-N 3.15Å; V316-L319 PolarHBondContact O-N 3.31Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 2.97Å; L319-A322 CarbonylContact O-C 3.58Å; L319-A322 PolarHBondContact O-N 2.9Å; L319-D323 PolarHBondContact O-N 3.45Å; L319-M324 WeakPolarHBondContact CB-O 3.34Å; L319-M324 HydrophobicContact CD2-CB 4.15Å; L319-M324 PolarHBondContact O-N 3.39Å; L319-M326 HydrophobicContact CD1-CB 4.23Å; L319-M326 HydrophobicContact CD1-CE 3.61Å; L319-M326 HydrophobicContact CD1-SD 3.85Å; L319-I329 HydrophobicContact CD2-CD1 3.87Å; L319-I329 HydrophobicContact CD2-CG1 4.04Å
320K91.1Very high93.1Very high177 Ų17756.4 Ų56.477%0.7728%0.284SS*.Hα-helixtrans-59.4-40.6175.7-177178.3180179.10112.2V316 Q317 A322 D323V316-K320 WeakPolarHBondContact O-CB 3.32Å; V316-K320 PolarHBondContact O-N 3.35Å; Q317-K320 PolarHBondContact O-N 3.43Å; K320-A322 VanDerWaalsContact C-N 3.34Å; K320-D323 PolarHBondContact O-N 3.37Å
321M87.2Confident92.9Very high30 Ų3055.5 Ų55.515%0.14828%0.283CS..Hα-helixtrans-70.9-32.7178.6-169.8-176.7174.700112.5F217 L219 Q317 A318 L319 D323 F394 L424F217-M321 HydrophobicContact CD1-CB 4.42Å; F217-M321 HydrophobicContact CD1-CE 3.99Å; F217-M321 HydrophobicContact CD1-CG 3.74Å; F217-M321 WeakPolarHBondContact CD1-O 3.38Å; F217-M321 HydrophobicContact CD1-SD 4.14Å; F217-M321 HydrophobicContact CE1-CG 4.43Å; F217-M321 WeakPolarHBondContact CE1-O 3.22Å; L219-M321 HydrophobicContact CD2-CB 3.75Å; L219-M321 HydrophobicContact CD2-CG 4.29Å; L219-M321 HydrophobicContact CD2-SD 3.62Å; Q317-M321 WeakPolarHBondContact O-CB 3.36Å; Q317-M321 PolarHBondContact O-N 2.89Å; A318-M321 PolarHBondContact O-N 3.3Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 2.97Å; M321-D323 VanDerWaalsContact C-N 3.26Å; M321-F394 HydrophobicContact CE-CD2 3.69Å; M321-F394 HydrophobicContact CE-CE2 4.09Å; M321-F394 HydrophobicContact SD-CD2 3.74Å; M321-F394 HydrophobicContact SD-CE2 3.61Å; M321-L424 HydrophobicContact CE-CD1 3.34Å; M321-L424 HydrophobicContact CE-CD2 4.27Å; M321-L424 HydrophobicContact CE-CG 3.78Å
322A88.2Confident92.8Very high14 Ų1455.5 Ų55.512%0.11628%0.283CS..Hα-helixtrans-78.2-9.9175.900000113.6I208 F217 A318 L319 K320 M324I208-A322 HydrophobicContact CD1-CB 3.91Å; F217-A322 HydrophobicContact CB-CB 3.99Å; F217-A322 VanDerWaalsContact CD2-CA 3.48Å; F217-A322 HydrophobicContact CD2-CB 3.38Å; F217-A322 HydrophobicContact CE2-CB 3.95Å; F217-A322 HydrophobicContact CG-CB 3.76Å; A318-A322 WeakPolarHBondContact O-CB 3.21Å; A318-A322 PolarHBondContact O-N 3.08Å; L319-A322 CarbonylContact O-C 3.58Å; L319-A322 PolarHBondContact O-N 2.9Å; K320-A322 VanDerWaalsContact C-N 3.34Å; A322-M324 VanDerWaalsContact C-N 3.28Å; A322-M324 HydrophobicContact CB-CB 4.16Å; A322-M324 HydrophobicContact CB-CG 3.73Å; A322-M324 HydrophobicContact CB-SD 3.92Å; A322-M324 WeakPolarHBondContact O-CG 3.26Å
323D90.1Very high92.8Very high153 Ų15350.9 Ų50.982%0.81826%0.261SS*.THydrogen-bonded Turntrans53.446.8-168.1-163.233.3000111.7L319 K320 M321L319-D323 PolarHBondContact O-N 3.45Å; K320-D323 PolarHBondContact O-N 3.37Å; M321-D323 VanDerWaalsContact C-N 3.26Å
324M92Very high92.8Very high31 Ų3149.3 Ų49.315%0.15325%0.247CC..  trans-125.4146.9-176.4-63.1-174.77400111.8T193 I208 V210 L319 A322 Q328T193-M324 HydrophobicContact CG2-CE 3.55Å; T193-M324 HydrophobicContact CG2-SD 4.16Å; I208-M324 HydrophobicContact CG2-SD 4Å; V210-M324 HydrophobicContact CG2-SD 4.21Å; L319-M324 WeakPolarHBondContact CB-O 3.34Å; L319-M324 HydrophobicContact CD2-CB 4.15Å; L319-M324 PolarHBondContact O-N 3.39Å; A322-M324 VanDerWaalsContact C-N 3.28Å; A322-M324 HydrophobicContact CB-CB 4.16Å; A322-M324 HydrophobicContact CB-CG 3.73Å; A322-M324 HydrophobicContact CB-SD 3.92Å; A322-M324 WeakPolarHBondContact O-CG 3.26Å; M324-Q328 HydrophobicContact CE-CB 3.75Å
325L93.8Very high92.9Very high115 Ų11549.3 Ų49.360%0.60225%0.247SC*.  trans-86.3153.1168.9-56.4177.6000110.5E327 Q328L325-E327 WeakPolarHBondContact CB-OE2 3.48Å; L325-E327 PolarHBondContact O-N 3.05Å; L325-Q328 HydrophobicContact CB-CG 4.35Å; L325-Q328 WeakPolarHBondContact O-CB 3.24Å; L325-Q328 PolarHBondContact O-N 2.69Å; L325-Q328 VanDerWaalsContact O-N 3.1Å
326M93.1Very high92.8Very high34 Ų3449.7 Ų49.717%0.16725%0.251CS..G310 helixtrans-56.2-36.4179.5-174.868.577.400112.1I315 L319 Q328 I329 I351 F352 K355I315-M326 HydrophobicContact CG2-CE 3.71Å; I315-M326 HydrophobicContact CG2-SD 4.35Å; L319-M326 HydrophobicContact CD1-CB 4.23Å; L319-M326 HydrophobicContact CD1-CE 3.61Å; L319-M326 HydrophobicContact CD1-SD 3.85Å; M326-Q328 PolarHBondContact O-N 2.88Å; M326-I329 WeakPolarHBondContact O-CB 3.43Å; M326-I329 WeakPolarHBondContact O-CG1 3.43Å; M326-I329 PolarHBondContact O-N 3.2Å; M326-I351 HydrophobicContact CE-CG2 3.51Å; M326-F352 HydrophobicContact CE-CE1 4.27Å; M326-F352 HydrophobicContact CG-CD1 4.46Å; M326-F352 HydrophobicContact SD-CD1 3.45Å; M326-F352 WeakPolarHBondContact SD-CD1 3.33Å; M326-F352 HydrophobicContact SD-CE1 3.28Å; M326-F352 WeakPolarHBondContact SD-CE1 3.48Å; M326-F352 HydrophobicContact SD-CZ 4.3Å; M326-K355 VanDerWaalsContact O-CE 3.24Å; M326-K355 WeakPolarHBondContact O-CE 3.49Å
327E93.2Very high92.7Very high116 Ų11648.7 Ų48.754%0.54225%0.25SS..G310 helixtrans-62.5-28.7-177.9-66.770.5-155.600112.2L325 I329 K355L325-E327 WeakPolarHBondContact CB-OE2 3.48Å; L325-E327 PolarHBondContact O-N 3.05Å; E327-I329 VanDerWaalsContact C-N 3.25Å; E327-I329 PolarHBondContact O-N 3.35Å; E327-K355 PolarHBondContact O-NZ 2.79Å
328Q93.2Very high93Very high93 Ų9346.6 Ų46.644%0.43524%0.241SC..G310 helixtrans-77.1-5.2-179-60.1176.5-92.700113.7T193 M324 L325 M326T193-Q328 VanDerWaalsContact CB-O 3.31Å; T193-Q328 WeakPolarHBondContact CB-O 3.46Å; T193-Q328 PolarHBondContact OG1-O 2.9Å; M324-Q328 HydrophobicContact CE-CB 3.75Å; L325-Q328 HydrophobicContact CB-CG 4.35Å; L325-Q328 WeakPolarHBondContact O-CB 3.24Å; L325-Q328 PolarHBondContact O-N 2.69Å; L325-Q328 VanDerWaalsContact O-N 3.1Å; M326-Q328 PolarHBondContact O-N 2.88Å
329I94Very high93.2Very high0 Ų047 Ų470%024%0.243CC..  trans-78.8116.3174.5-57.5-55.5000109.6T193 L195 I208 L319 M326 E327 H331 V332 K355T193-I329 HydrophobicContact CG2-CD1 3.54Å; L195-I329 HydrophobicContact CB-CD1 4.28Å; L195-I329 HydrophobicContact CB-CG2 3.73Å; L195-I329 HydrophobicContact CD1-CD1 4.44Å; L195-I329 HydrophobicContact CD1-CG1 4.49Å; I208-I329 HydrophobicContact CD1-CD1 4.35Å; I208-I329 HydrophobicContact CG1-CD1 4.41Å; I208-I329 HydrophobicContact CG2-CD1 4.29Å; L319-I329 HydrophobicContact CD2-CD1 3.87Å; L319-I329 HydrophobicContact CD2-CG1 4.04Å; M326-I329 WeakPolarHBondContact O-CB 3.43Å; M326-I329 WeakPolarHBondContact O-CG1 3.43Å; M326-I329 PolarHBondContact O-N 3.2Å; E327-I329 VanDerWaalsContact C-N 3.25Å; E327-I329 PolarHBondContact O-N 3.35Å; I329-H331 WeakPolarHBondContact CG2-O 3.35Å; I329-V332 HydrophobicContact CG2-CG2 3.93Å; I329-K355 WeakPolarHBondContact O-CD 3.46Å; I329-K355 WeakPolarHBondContact O-CE 3.39Å; I329-K355 PolarHBondContact O-NZ 3.03Å
330D92.7Very high93.3Very high81 Ų8152.4 Ų52.443%0.43326%0.263SS..  trans-79.7-42.9179.2-58.3-60.7000112T192 T193T192-D330 WeakPolarHBondContact CA-OD2 3.4Å; T192-D330 HydrophobicContact CG2-CB 4.1Å; T193-D330 PolarHBondContact N-OD2 3.34Å; T193-D330 WeakPolarHBondContact O-CA 3.33Å; T193-D330 WeakPolarHBondContact O-CB 3.38Å; T193-D330 PolarHBondContact O-N 3.45Å
331H93.7Very high93.6Very high50 Ų5044.1 Ų44.123%0.23123%0.227CC..EExtended strand (participates in β ladder)trans-128.8133.2-178.4-60-59.9000111.5Y179 T193 V194 L195 I329Y179-H331 PolarHBondContact OH-CD2 2.95Å; T193-H331 PolarHBondContact O-N 2.87Å; T193-H331 VanDerWaalsContact O-N 3.09Å; V194-H331 CarbonylContact C-O 3.5Å; V194-H331 WeakPolarHBondContact CA-O 3.4Å; V194-H331 HydrophobicContact CG1-CB 4.32Å; V194-H331 HydrophobicContact CG2-CB 4.33Å; L195-H331 PolarHBondContact N-O 3.37Å; I329-H331 WeakPolarHBondContact CG2-O 3.35Å
332V95.5Very high94Very high1 Ų144.2 Ų44.21%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-106.4128.5169.2-178.80000107.6L195 I329 L334 F352 L357 G358L195-V332 HydrophobicContact CD2-CG1 4.36Å; L195-V332 CarbonylContact O-C 3.48Å; L195-V332 WeakPolarHBondContact O-CA 3.33Å; I329-V332 HydrophobicContact CG2-CG2 3.93Å; V332-L334 HydrophobicContact CG1-CD2 4.38Å; V332-F352 HydrophobicContact CG1-CD2 3.89Å; V332-F352 HydrophobicContact CG1-CE1 4.34Å; V332-F352 HydrophobicContact CG1-CE2 3.65Å; V332-F352 HydrophobicContact CG1-CG 4.38Å; V332-F352 HydrophobicContact CG1-CZ 3.9Å; V332-F352 HydrophobicContact CG2-CD1 3.46Å; V332-F352 VanDerWaalsContact CG2-CD1 3.46Å; V332-F352 HydrophobicContact CG2-CD2 4.17Å; V332-F352 HydrophobicContact CG2-CE1 3.53Å; V332-F352 HydrophobicContact CG2-CE2 4.25Å; V332-F352 HydrophobicContact CG2-CG 3.8Å; V332-F352 HydrophobicContact CG2-CZ 3.96Å; V332-L357 HydrophobicContact CB-CD2 4.42Å; V332-L357 HydrophobicContact CG1-CD2 3.88Å; V332-G358 WeakPolarHBondContact O-CA 3.47Å; V332-G358 PolarHBondContact O-N 2.94Å
333I94.7Very high94.5Very high0 Ų045.8 Ų45.80%023%0.234CC..EExtended strand (participates in β ladder)trans-121.7124.1-179-52.9-178.4000108.8Y179 V194 L195 I196 Y197 M335 G358 Y360 L361Y179-I333 HydrophobicContact CD1-CD1 4.06Å; Y179-I333 HydrophobicContact CD2-CD1 3.21Å; Y179-I333 HydrophobicContact CD2-CG1 4.49Å; Y179-I333 HydrophobicContact CE1-CD1 4.26Å; Y179-I333 HydrophobicContact CE2-CD1 3.41Å; Y179-I333 VanDerWaalsContact CE2-CD1 3.41Å; Y179-I333 HydrophobicContact CE2-CG1 4.4Å; Y179-I333 HydrophobicContact CG-CD1 3.54Å; V194-I333 HydrophobicContact CG1-CD1 3.37Å; V194-I333 HydrophobicContact CG1-CG1 3.84Å; L195-I333 PolarHBondContact O-N 3.42Å; I196-I333 WeakPolarHBondContact CA-O 3.35Å; I196-I333 HydrophobicContact CG1-CB 4.25Å; I196-I333 HydrophobicContact CG1-CD1 4.35Å; Y197-I333 PolarHBondContact N-O 2.84Å; I333-M335 HydrophobicContact CG2-CG 4.39Å; I333-G358 WeakPolarHBondContact CA-O 3.36Å; I333-Y360 HydrophobicContact CG1-CD2 4.17Å; I333-L361 HydrophobicContact CG2-CB 4.5Å; I333-L361 HydrophobicContact CG2-CD1 3.98Å; I333-L361 HydrophobicContact CG2-CG 4.14Å
334L95.8Very high94.8Very high8 Ų838.5 Ų38.54%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-88.6131175-56-169.9000110.8V332 T339 L348 L357 G358V332-L334 HydrophobicContact CG1-CD2 4.38Å; L334-T339 HydrophobicContact CB-CG2 4.48Å; L334-L348 HydrophobicContact CD1-CD1 4.46Å; L334-L348 HydrophobicContact CD2-CD1 3.75Å; L334-L357 HydrophobicContact CD1-CB 3.98Å; L334-L357 HydrophobicContact CD1-CD1 4.22Å; L334-L357 HydrophobicContact CD2-CD2 4.49Å; L334-L357 HydrophobicContact CG-CB 4.21Å; L334-G358 PolarHBondContact N-O 3.31Å; L334-G358 VanDerWaalsContact N-O 3.07Å
335M95.3Very high95Very high1 Ų139.2 Ų39.21%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-131157.4177.2-71.5-61.9-62.500110.1A175 I196 Y197 D198 M199 I333 T339 L361 A363 A366 I367A175-M335 HydrophobicContact CB-CE 4.12Å; A175-M335 HydrophobicContact CB-CG 4.4Å; I196-M335 HydrophobicContact CG2-CB 4.15Å; I196-M335 HydrophobicContact CG2-CG 3.58Å; Y197-M335 PolarHBondContact O-N 3.24Å; D198-M335 WeakPolarHBondContact CA-O 3.13Å; D198-M335 HydrophobicContact CB-CB 3.8Å; M199-M335 PolarHBondContact N-O 3.38Å; I333-M335 HydrophobicContact CG2-CG 4.39Å; M335-T339 WeakPolarHBondContact O-CG2 3.41Å; M335-L361 HydrophobicContact SD-CB 3.8Å; M335-L361 HydrophobicContact SD-CD1 3.75Å; M335-L361 HydrophobicContact SD-CG 4.43Å; M335-A363 HydrophobicContact CE-CB 4.46Å; M335-A363 WeakPolarHBondContact CE-O 3.36Å; M335-A363 HydrophobicContact SD-CB 4.29Å; M335-A366 HydrophobicContact CE-CB 3.84Å; M335-A366 HydrophobicContact SD-CB 4.42Å; M335-I367 HydrophobicContact CE-CD1 4.46Å; M335-I367 HydrophobicContact CE-CG1 4.19Å
336G93.7Very high95.2Very high8 Ų837.8 Ų37.88%0.08219%0.189CC..SBendtrans79.5141.2178.600000114D198 M199 A338 T339D198-G336 VanDerWaalsContact OD1-CA 3.25Å; D198-G336 WeakPolarHBondContact OD1-CA 3.32Å; D198-G336 PolarHBondContact OD1-N 3.16Å; M199-G336 CarbonylContact O-C 3.52Å; M199-G336 VanDerWaalsContact O-CA 3.32Å; M199-G336 WeakPolarHBondContact O-CA 3.46Å; G336-A338 VanDerWaalsContact C-N 3.29Å; G336-A338 PolarHBondContact O-N 3.44Å; G336-T339 PolarHBondContact O-N 3Å; G336-T339 PolarHBondContact O-OG1 3.22Å
337A93.9Very high95.4Very high50 Ų5039 Ų3941%0.41319%0.193SC..G310 helixtrans-66.2-25.2-169.300000114.4M199 T339 R340M199-A337 PolarHBondContact O-N 3.38Å; A337-T339 PolarHBondContact O-N 3.29Å; A337-R340 VanDerWaalsContact O-CB 3.28Å; A337-R340 WeakPolarHBondContact O-CB 3.44Å; A337-R340 WeakPolarHBondContact O-CG 3.24Å; A337-R340 PolarHBondContact O-N 3.37Å; A337-R340 VanDerWaalsContact O-N 3.12Å
338A96.3Very high95.6Very high5 Ų533.4 Ų33.44%0.04117%0.167CC..G310 helixtrans-75.5-14-17900000112.9M199 F229 G336 R340 V341M199-A338 HydrophobicContact CB-CB 4.3Å; M199-A338 HydrophobicContact CG-CB 3.68Å; M199-A338 WeakPolarHBondContact O-CB 3.4Å; M199-A338 PolarHBondContact O-N 3.38Å; M199-A338 VanDerWaalsContact O-N 3.07Å; M199-A338 HydrophobicContact SD-CB 3.84Å; F229-A338 HydrophobicContact CE2-CB 4.4Å; G336-A338 VanDerWaalsContact C-N 3.29Å; G336-A338 PolarHBondContact O-N 3.44Å; A338-R340 PolarHBondContact O-N 2.93Å; A338-V341 PolarHBondContact O-N 2.93Å
339T96.1Very high95.8Very high7 Ų732.6 Ų32.64%0.04316%0.163CC..G310 helixtrans-67-9.3166.564.50000113.5Y197 M199 L334 M335 G336 A337 V341 Q345Y197-T339 HydrophobicContact CD1-CG2 4.11Å; Y197-T339 HydrophobicContact CE1-CG2 4.45Å; M199-T339 HydrophobicContact CB-CG2 3.73Å; L334-T339 HydrophobicContact CB-CG2 4.48Å; M335-T339 WeakPolarHBondContact O-CG2 3.41Å; G336-T339 PolarHBondContact O-N 3Å; G336-T339 PolarHBondContact O-OG1 3.22Å; A337-T339 PolarHBondContact O-N 3.29Å; T339-V341 VanDerWaalsContact C-N 3.3Å; T339-Q345 WeakPolarHBondContact O-CG 3.5Å; T339-Q345 PolarHBondContact O-NE2 3.43Å
340R95Very high95.9Very high127 Ų12737.1 Ų37.148%0.47918%0.184SC..G310 helixtrans-78.3-14.3175.1-60.5-178.3-174.81794.4113.2A337 A338 P342 D364A337-R340 VanDerWaalsContact O-CB 3.28Å; A337-R340 WeakPolarHBondContact O-CB 3.44Å; A337-R340 WeakPolarHBondContact O-CG 3.24Å; A337-R340 PolarHBondContact O-N 3.37Å; A337-R340 VanDerWaalsContact O-N 3.12Å; A338-R340 PolarHBondContact O-N 2.93Å; R340-P342 WeakPolarHBondContact O-CD 3.33Å; R340-D364 IonicContact NH2-OD2 3.83Å
341V97.1Very high96.1Very high2 Ų234.3 Ų34.31%0.01217%0.169CC..SBendtrans-63.9122.6174.6174.40000108.9F300 F308 A338 T339 K343 V344 Q345F300-V341 HydrophobicContact CE1-CG1 4Å; F308-V341 HydrophobicContact CE1-CG1 4.29Å; F308-V341 HydrophobicContact CZ-CG1 4.4Å; A338-V341 PolarHBondContact O-N 2.93Å; T339-V341 VanDerWaalsContact C-N 3.3Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 HydrophobicContact CG1-CB 4.49Å; V341-K343 PolarHBondContact O-N 3.17Å; V341-V344 HydrophobicContact CB-CB 4.3Å; V341-V344 HydrophobicContact CB-CG2 3.78Å; V341-V344 HydrophobicContact CG1-CG2 4.04Å; V341-V344 WeakPolarHBondContact O-CB 3.27Å; V341-V344 PolarHBondContact O-N 3.38Å; V341-Q345 PolarHBondContact O-N 3.46Å
342P97Very high96.1Very high32 Ų3232.1 Ų32.121%0.20816%0.159CC..Hα-helixtrans-54.3-42-173.5-3237000113.9S273 R340 V344 Q345 Q346S273-P342 WeakPolarHBondContact O-CG 3.4Å; R340-P342 WeakPolarHBondContact O-CD 3.33Å; P342-V344 VanDerWaalsContact C-N 3.29Å; P342-V344 PolarHBondContact O-N 2.89Å; P342-Q345 PolarHBondContact O-N 3.1Å; P342-Q345 VanDerWaalsContact O-N 3.14Å; P342-Q346 PolarHBondContact O-N 2.84Å
343K97.9Very high96.1Very high48 Ų4839 Ų3921%0.20919%0.189CC..Hα-helixtrans-63.3-33.1177.5-162.156.6165.3-168.40114E301 F308 V341 Q346 K347E301-K343 HydrophobicContact CG-CB 3.86Å; E301-K343 HydrophobicContact CG-CG 4.25Å; F308-K343 HydrophobicContact CD1-CB 4.25Å; F308-K343 HydrophobicContact CD1-CG 4.04Å; F308-K343 HydrophobicContact CD2-CB 4.35Å; F308-K343 HydrophobicContact CD2-CG 3.57Å; F308-K343 HydrophobicContact CE1-CB 3.75Å; F308-K343 HydrophobicContact CE1-CG 3.97Å; F308-K343 HydrophobicContact CE2-CB 3.87Å; F308-K343 HydrophobicContact CE2-CG 3.49Å; F308-K343 VanDerWaalsContact CE2-CG 3.49Å; F308-K343 HydrophobicContact CG-CG 3.87Å; F308-K343 HydrophobicContact CZ-CB 3.55Å; F308-K343 HydrophobicContact CZ-CG 3.71Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 HydrophobicContact CG1-CB 4.49Å; V341-K343 PolarHBondContact O-N 3.17Å; K343-Q346 VanDerWaalsContact CD-OE1 3.3Å; K343-Q346 PolarHBondContact O-N 3.18Å; K343-K347 WeakPolarHBondContact O-CB 3.39Å; K343-K347 WeakPolarHBondContact O-CG 3.4Å; K343-K347 PolarHBondContact O-N 3.03Å
344V97.8Very high95.9Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-64.9-45.3174.2178.10000109.7M199 F229 F308 I311 V341 P342 K347 L348M199-V344 HydrophobicContact CE-CG1 4.17Å; M199-V344 HydrophobicContact SD-CG1 4.18Å; M199-V344 HydrophobicContact SD-CG2 4.21Å; F229-V344 HydrophobicContact CZ-CG2 4.14Å; F308-V344 HydrophobicContact CD1-CG2 4.19Å; F308-V344 HydrophobicContact CE1-CG2 3.88Å; I311-V344 HydrophobicContact CD1-CB 4.14Å; I311-V344 HydrophobicContact CD1-CG1 4Å; I311-V344 HydrophobicContact CD1-CG2 4.03Å; V341-V344 HydrophobicContact CB-CB 4.3Å; V341-V344 HydrophobicContact CB-CG2 3.78Å; V341-V344 HydrophobicContact CG1-CG2 4.04Å; V341-V344 WeakPolarHBondContact O-CB 3.27Å; V341-V344 PolarHBondContact O-N 3.38Å; P342-V344 VanDerWaalsContact C-N 3.29Å; P342-V344 PolarHBondContact O-N 2.89Å; V344-K347 PolarHBondContact O-N 3.48Å; V344-L348 HydrophobicContact CG1-CD1 3.86Å; V344-L348 HydrophobicContact CG1-CG 4.46Å; V344-L348 WeakPolarHBondContact O-CB 3.3Å; V344-L348 VanDerWaalsContact O-CG 3.26Å; V344-L348 WeakPolarHBondContact O-CG 3.47Å; V344-L348 PolarHBondContact O-N 3.18Å
345Q96.2Very high95.8Very high46 Ų4648 Ų4822%0.21524%0.24CC..Hα-helixtrans-64.6-42177-60.6-172.1-7.100112T339 V341 P342 K347 L348 Q349T339-Q345 WeakPolarHBondContact O-CG 3.5Å; T339-Q345 PolarHBondContact O-NE2 3.43Å; V341-Q345 PolarHBondContact O-N 3.46Å; P342-Q345 PolarHBondContact O-N 3.1Å; P342-Q345 VanDerWaalsContact O-N 3.14Å; Q345-K347 PolarHBondContact O-N 3.4Å; Q345-L348 PolarHBondContact O-N 3.44Å; Q345-Q349 WeakPolarHBondContact O-CB 3.34Å; Q345-Q349 PolarHBondContact O-N 3.17Å
346Q96.9Very high95.7Very high85 Ų8554 Ų5440%0.39727%0.267SS..Hα-helixtrans-56.9-50.4174.5-175.8-169.7-15.100110.6P342 K343 L348 Q349 E350P342-Q346 PolarHBondContact O-N 2.84Å; K343-Q346 VanDerWaalsContact CD-OE1 3.3Å; K343-Q346 PolarHBondContact O-N 3.18Å; Q346-L348 PolarHBondContact O-N 3.24Å; Q346-Q349 PolarHBondContact O-N 2.82Å; Q346-Q349 VanDerWaalsContact O-N 3.17Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.37Å; Q346-E350 PolarHBondContact NE2-OE1 2.96Å; Q346-E350 WeakPolarHBondContact O-CG 3.35Å; Q346-E350 PolarHBondContact O-N 3.42Å
347K97.5Very high95.7Very high58 Ų5854.5 Ų54.525%0.25227%0.268SS..Hα-helixtrans-61.8-42.7179.4-76.3-76.4163.7-151.90112.4F308 I311 K343 V344 Q345 Q349 E350 I351F308-K347 HydrophobicContact CB-CG 4.42Å; I311-K347 HydrophobicContact CD1-CB 3.81Å; I311-K347 HydrophobicContact CD1-CG 4.17Å; I311-K347 HydrophobicContact CG2-CB 4.28Å; K343-K347 WeakPolarHBondContact O-CB 3.39Å; K343-K347 WeakPolarHBondContact O-CG 3.4Å; K343-K347 PolarHBondContact O-N 3.03Å; V344-K347 PolarHBondContact O-N 3.48Å; Q345-K347 PolarHBondContact O-N 3.4Å; K347-Q349 VanDerWaalsContact C-N 3.33Å; K347-Q349 PolarHBondContact O-N 3.28Å; K347-E350 WeakPolarHBondContact CD-OE2 3.42Å; K347-E350 IonicContact NZ-OE2 3.68Å; K347-E350 PolarHBondContact NZ-OE2 2.87Å; K347-E350 WeakPolarHBondContact O-CB 3.48Å; K347-E350 PolarHBondContact O-N 2.87Å; K347-I351 WeakPolarHBondContact O-CD1 3.49Å; K347-I351 VanDerWaalsContact O-CG1 3.23Å; K347-I351 WeakPolarHBondContact O-CG1 3.26Å; K347-I351 PolarHBondContact O-N 3.26Å
348L97.3Very high95.5Very high0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-63.8-39.6175-69.1168000111.5Y197 I311 I315 L334 V344 Q345 Q346 I351 F352 L357Y197-L348 HydrophobicContact CD1-CD1 3.88Å; Y197-L348 HydrophobicContact CD1-CD2 4.05Å; Y197-L348 HydrophobicContact CD2-CD2 4.13Å; Y197-L348 HydrophobicContact CE1-CD1 3.94Å; Y197-L348 HydrophobicContact CE1-CD2 3.95Å; Y197-L348 HydrophobicContact CE1-CG 4.49Å; Y197-L348 HydrophobicContact CE2-CD2 4.02Å; Y197-L348 HydrophobicContact CG-CD2 4.12Å; I311-L348 HydrophobicContact CG2-CD2 3.68Å; I311-L348 HydrophobicContact CG2-CG 3.98Å; I315-L348 HydrophobicContact CD1-CD2 3.74Å; L334-L348 HydrophobicContact CD1-CD1 4.46Å; L334-L348 HydrophobicContact CD2-CD1 3.75Å; V344-L348 HydrophobicContact CG1-CD1 3.86Å; V344-L348 HydrophobicContact CG1-CG 4.46Å; V344-L348 WeakPolarHBondContact O-CB 3.3Å; V344-L348 VanDerWaalsContact O-CG 3.26Å; V344-L348 WeakPolarHBondContact O-CG 3.47Å; V344-L348 PolarHBondContact O-N 3.18Å; Q345-L348 PolarHBondContact O-N 3.44Å; Q346-L348 PolarHBondContact O-N 3.24Å; L348-I351 PolarHBondContact O-N 2.94Å; L348-F352 HydrophobicContact CB-CD2 4.49Å; L348-F352 HydrophobicContact CD2-CE2 4.16Å; L348-F352 WeakPolarHBondContact O-CB 3.14Å; L348-F352 WeakPolarHBondContact O-CD2 3.29Å; L348-F352 PolarHBondContact O-N 3.4Å; L348-L357 HydrophobicContact CB-CD1 3.92Å; L348-L357 HydrophobicContact CB-CD2 4.22Å
349Q96.9Very high94.9Very high76 Ų7660.1 Ų60.136%0.35528%0.278SS..Hα-helixtrans-66.1-39.1176.4-167.365.761.600111.6Q345 Q346 K347 I351 K353 K355 L357Q345-Q349 WeakPolarHBondContact O-CB 3.34Å; Q345-Q349 PolarHBondContact O-N 3.17Å; Q346-Q349 PolarHBondContact O-N 2.82Å; Q346-Q349 VanDerWaalsContact O-N 3.17Å; K347-Q349 VanDerWaalsContact C-N 3.33Å; K347-Q349 PolarHBondContact O-N 3.28Å; Q349-I351 VanDerWaalsContact C-N 3.33Å; Q349-I351 PolarHBondContact O-N 3.05Å; Q349-K353 PolarHBondContact NE2-O 3.22Å; Q349-K353 WeakPolarHBondContact O-CA 3.2Å; Q349-K353 PolarHBondContact O-N 3.49Å; Q349-K355 PolarHBondContact NE2-O 2.96Å; Q349-K355 VanDerWaalsContact NE2-O 3.13Å; Q349-L357 HydrophobicContact CB-CD1 4.1Å
350E96.8Very high94.3Very high94 Ų9463.3 Ų63.344%0.43929%0.29SS..Hα-helixtrans-58.3-44.8172.5-72.1167.1-168.300111Q346 K347Q346-E350 WeakPolarHBondContact CG-OE1 3.37Å; Q346-E350 PolarHBondContact NE2-OE1 2.96Å; Q346-E350 WeakPolarHBondContact O-CG 3.35Å; Q346-E350 PolarHBondContact O-N 3.42Å; K347-E350 WeakPolarHBondContact CD-OE2 3.42Å; K347-E350 IonicContact NZ-OE2 3.68Å; K347-E350 PolarHBondContact NZ-OE2 2.87Å; K347-E350 WeakPolarHBondContact O-CB 3.48Å; K347-E350 PolarHBondContact O-N 2.87Å
351I96Very high94Very high23 Ų2358.1 Ų58.112%0.11827%0.271CS..Hα-helixtrans-66.7-47.7179.7-66.9159.9000111.7I311 E312 I315 M326 K347 L348 Q349 K353I311-I351 HydrophobicContact CG2-CD1 3.99Å; E312-I351 HydrophobicContact CB-CD1 3.67Å; E312-I351 HydrophobicContact CB-CG1 4.3Å; E312-I351 HydrophobicContact CG-CD1 4.01Å; E312-I351 HydrophobicContact CG-CG1 4.2Å; I315-I351 HydrophobicContact CD1-CD1 4.29Å; I315-I351 HydrophobicContact CD1-CG2 4.27Å; M326-I351 HydrophobicContact CE-CG2 3.51Å; K347-I351 WeakPolarHBondContact O-CD1 3.49Å; K347-I351 VanDerWaalsContact O-CG1 3.23Å; K347-I351 WeakPolarHBondContact O-CG1 3.26Å; K347-I351 PolarHBondContact O-N 3.26Å; L348-I351 PolarHBondContact O-N 2.94Å; Q349-I351 VanDerWaalsContact C-N 3.33Å; Q349-I351 PolarHBondContact O-N 3.05Å; I351-K353 VanDerWaalsContact C-N 3.32Å
352F95.5Very high93.7Very high3 Ų361.7 Ų61.71%0.01329%0.29CS..Hα-helixtrans-87.2-1.3-175.5-71.3-66.9000113.9L195 I315 M326 V332 L348 T354 K355 L357L195-F352 HydrophobicContact CD1-CE1 4.19Å; L195-F352 HydrophobicContact CD1-CZ 3.98Å; L195-F352 HydrophobicContact CD2-CZ 3.77Å; L195-F352 HydrophobicContact CG-CZ 4.44Å; I315-F352 HydrophobicContact CD1-CE2 3.74Å; I315-F352 HydrophobicContact CD1-CZ 3.81Å; I315-F352 HydrophobicContact CG1-CZ 4.28Å; I315-F352 HydrophobicContact CG2-CE1 4.45Å; I315-F352 HydrophobicContact CG2-CZ 4.05Å; M326-F352 HydrophobicContact CE-CE1 4.27Å; M326-F352 HydrophobicContact CG-CD1 4.46Å; M326-F352 HydrophobicContact SD-CD1 3.45Å; M326-F352 WeakPolarHBondContact SD-CD1 3.33Å; M326-F352 HydrophobicContact SD-CE1 3.28Å; M326-F352 WeakPolarHBondContact SD-CE1 3.48Å; M326-F352 HydrophobicContact SD-CZ 4.3Å; V332-F352 HydrophobicContact CG1-CD2 3.89Å; V332-F352 HydrophobicContact CG1-CE1 4.34Å; V332-F352 HydrophobicContact CG1-CE2 3.65Å; V332-F352 HydrophobicContact CG1-CG 4.38Å; V332-F352 HydrophobicContact CG1-CZ 3.9Å; V332-F352 HydrophobicContact CG2-CD1 3.46Å; V332-F352 VanDerWaalsContact CG2-CD1 3.46Å; V332-F352 HydrophobicContact CG2-CD2 4.17Å; V332-F352 HydrophobicContact CG2-CE1 3.53Å; V332-F352 HydrophobicContact CG2-CE2 4.25Å; V332-F352 HydrophobicContact CG2-CG 3.8Å; V332-F352 HydrophobicContact CG2-CZ 3.96Å; L348-F352 HydrophobicContact CB-CD2 4.49Å; L348-F352 HydrophobicContact CD2-CE2 4.16Å; L348-F352 WeakPolarHBondContact O-CB 3.14Å; L348-F352 WeakPolarHBondContact O-CD2 3.29Å; L348-F352 PolarHBondContact O-N 3.4Å; F352-T354 PolarHBondContact O-N 3.41Å; F352-K355 HydrophobicContact CB-CB 4.25Å; F352-K355 WeakPolarHBondContact O-CB 3.48Å; F352-K355 PolarHBondContact O-N 3Å; F352-L357 HydrophobicContact CB-CD2 4.26Å; F352-L357 HydrophobicContact CD2-CD2 3.75Å; F352-L357 HydrophobicContact CG-CD2 4.33Å
353K94.1Very high93.4Very high146 Ų14661.1 Ų61.164%0.63529%0.288SS*.THydrogen-bonded Turntrans54.5-105.3175.8-57.9173.7-176168.60112.1Q349 I351Q349-K353 PolarHBondContact NE2-O 3.22Å; Q349-K353 WeakPolarHBondContact O-CA 3.2Å; Q349-K353 PolarHBondContact O-N 3.49Å; I351-K353 VanDerWaalsContact C-N 3.32Å
354T91Very high93Very high144 Ų14460.1 Ų60.188%0.88329%0.285SS*.THydrogen-bonded Turntrans-92.7-7.3-176.455.30000113.3F352F352-T354 PolarHBondContact O-N 3.41Å
355K93.3Very high92.9Very high53 Ų5361.8 Ų61.823%0.2329%0.293CS..SBendtrans-71.2137.9178.4-61-178.8-175.4-72.80109.8M326 E327 I329 Q349 F352M326-K355 VanDerWaalsContact O-CE 3.24Å; M326-K355 WeakPolarHBondContact O-CE 3.49Å; E327-K355 PolarHBondContact O-NZ 2.79Å; I329-K355 WeakPolarHBondContact O-CD 3.46Å; I329-K355 WeakPolarHBondContact O-CE 3.39Å; I329-K355 PolarHBondContact O-NZ 3.03Å; Q349-K355 PolarHBondContact NE2-O 2.96Å; Q349-K355 VanDerWaalsContact NE2-O 3.13Å; F352-K355 HydrophobicContact CB-CB 4.25Å; F352-K355 WeakPolarHBondContact O-CB 3.48Å; F352-K355 PolarHBondContact O-N 3Å
356E93.8Very high92.8Very high126 Ų12659.6 Ų59.659%0.58928%0.283SS*.  trans-68.2131.5177.2-169.5-166.1165.900110.4G358 Y360E356-G358 PolarHBondContact O-N 3.27Å; E356-G358 VanDerWaalsContact O-N 3.1Å; E356-Y360 PolarHBondContact OE2-OH 3.39Å
357L94.1Very high92.8Very high20 Ų2056.1 Ų56.111%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-79.788169-59.3-177.2000109.5V332 L334 L348 Q349 F352 R359V332-L357 HydrophobicContact CB-CD2 4.42Å; V332-L357 HydrophobicContact CG1-CD2 3.88Å; L334-L357 HydrophobicContact CD1-CB 3.98Å; L334-L357 HydrophobicContact CD1-CD1 4.22Å; L334-L357 HydrophobicContact CD2-CD2 4.49Å; L334-L357 HydrophobicContact CG-CB 4.21Å; L348-L357 HydrophobicContact CB-CD1 3.92Å; L348-L357 HydrophobicContact CB-CD2 4.22Å; Q349-L357 HydrophobicContact CB-CD1 4.1Å; F352-L357 HydrophobicContact CB-CD2 4.26Å; F352-L357 HydrophobicContact CD2-CD2 3.75Å; F352-L357 HydrophobicContact CG-CD2 4.33Å; L357-R359 PolarHBondContact O-N 3.01Å
358G88.6Confident92.8Very high0 Ų053.4 Ų53.40%026%0.255CS..EExtended strand (participates in β ladder)trans-59.7127-175.300000113.5V332 I333 L334 E356 Y360V332-G358 WeakPolarHBondContact O-CA 3.47Å; V332-G358 PolarHBondContact O-N 2.94Å; I333-G358 WeakPolarHBondContact CA-O 3.36Å; L334-G358 PolarHBondContact N-O 3.31Å; L334-G358 VanDerWaalsContact N-O 3.07Å; E356-G358 PolarHBondContact O-N 3.27Å; E356-G358 VanDerWaalsContact O-N 3.1Å; G358-Y360 VanDerWaalsContact CA-CE2 3.46Å
359R84.4Confident92.8Very high172 Ų17254.7 Ų54.765%0.64926%0.261SS*.  trans-107.536.7171.7-59.2178.8-175.7177.90.4110.9L357 L361L357-R359 PolarHBondContact O-N 3.01Å; R359-L361 PolarHBondContact O-N 3.45Å
360Y82.6Confident92.7Very high75 Ų7551.1 Ų51.129%0.29425%0.245SC..  trans-71.1-12.4-171.7-49.6-54.4000114.2Y179 I333 E356 G358Y179-Y360 AromaticContact CE2-CD2 3.93Å; Y179-Y360 HydrophobicContact CE2-CD2 3.93Å; Y179-Y360 HydrophobicContact CE2-CG 4.44Å; I333-Y360 HydrophobicContact CG1-CD2 4.17Å; E356-Y360 PolarHBondContact OE2-OH 3.39Å; G358-Y360 VanDerWaalsContact CA-CE2 3.46Å
361L88.9Confident92.7Very high17 Ų1746.6 Ų46.69%0.08922%0.224CC..SBendtrans-116.8143.5-178.3-66.1-175.2000109.9A175 N178 Y179 I333 M335 R359 A363 A366A175-L361 HydrophobicContact CB-CD1 4.43Å; N178-L361 WeakPolarHBondContact OD1-CD2 3.33Å; Y179-L361 HydrophobicContact CD2-CD2 4.44Å; I333-L361 HydrophobicContact CG2-CB 4.5Å; I333-L361 HydrophobicContact CG2-CD1 3.98Å; I333-L361 HydrophobicContact CG2-CG 4.14Å; M335-L361 HydrophobicContact SD-CB 3.8Å; M335-L361 HydrophobicContact SD-CD1 3.75Å; M335-L361 HydrophobicContact SD-CG 4.43Å; R359-L361 PolarHBondContact O-N 3.45Å; L361-A363 PolarHBondContact O-N 2.82Å; L361-A366 HydrophobicContact CB-CB 3.95Å; L361-A366 HydrophobicContact CD1-CB 3.94Å; L361-A366 HydrophobicContact CD2-CB 4.3Å; L361-A366 HydrophobicContact CG-CB 4.31Å
362N92.3Very high92.6Very high78 Ų7845.7 Ų45.742%0.41722%0.219SC..  trans-68.9104.5162.2-177.1-24.2000108.5D364 E365 A366N362-D364 PolarHBondContact O-N 2.89Å; N362-D364 VanDerWaalsContact O-N 3.1Å; N362-D364 PolarHBondContact OD1-N 2.77Å; N362-D364 VanDerWaalsContact OD1-N 3.07Å; N362-E365 HydrophobicContact CB-CB 4.24Å; N362-E365 PolarHBondContact ND2-OE1 3.32Å; N362-E365 PolarHBondContact O-N 2.97Å; N362-A366 WeakPolarHBondContact O-CB 3.45Å; N362-A366 PolarHBondContact O-N 3.22Å
363A89.8Confident92.6Very high19 Ų1946.2 Ų46.216%0.15722%0.221CC..THydrogen-bonded Turntrans-59.3-22.5-174.600000114.3M335 L361M335-A363 HydrophobicContact CE-CB 4.46Å; M335-A363 WeakPolarHBondContact CE-O 3.36Å; M335-A363 HydrophobicContact SD-CB 4.29Å; L361-A363 PolarHBondContact O-N 2.82Å
364D90.2Very high92.5Very high28 Ų2840.2 Ų40.215%0.1520%0.195CC..THydrogen-bonded Turntrans-86.1-20178-84.9-24.2000113K11 K32 R340 N362K11-D364 VanDerWaalsContact CD-O 3.27Å; K11-D364 WeakPolarHBondContact CD-O 3.46Å; K11-D364 VanDerWaalsContact CE-O 3.25Å; K11-D364 WeakPolarHBondContact CE-O 3.36Å; K32-D364 IonicContact NZ-OD1 3.92Å; K32-D364 IonicContact NZ-OD2 3.1Å; K32-D364 PolarHBondContact NZ-OD2 3.16Å; R340-D364 IonicContact NH2-OD2 3.83Å; N362-D364 PolarHBondContact O-N 2.89Å; N362-D364 VanDerWaalsContact O-N 3.1Å; N362-D364 PolarHBondContact OD1-N 2.77Å; N362-D364 VanDerWaalsContact OD1-N 3.07Å
365E94.3Very high92.7Very high34 Ų3433.4 Ų33.416%0.15915%0.153CC..THydrogen-bonded Turntrans-121.6-26-167.1-61.2-179.7-163.200114.2I23 R31 N362 I367 A368 M369I23-E365 HydrophobicContact CD1-CB 4.12Å; I23-E365 HydrophobicContact CD1-CG 4.3Å; I23-E365 HydrophobicContact CG1-CB 4.1Å; I23-E365 HydrophobicContact CG1-CG 3.88Å; R31-E365 IonicContact CZ-OE1 2.82Å; R31-E365 VanDerWaalsContact CZ-OE1 3.26Å; R31-E365 IonicContact CZ-OE2 2.87Å; R31-E365 IonicContact NE-OE1 3.83Å; R31-E365 PolarHBondContact NE-OE1 2.9Å; R31-E365 IonicContact NE-OE2 3.25Å; R31-E365 IonicContact NH2-OE1 3.81Å; R31-E365 PolarHBondContact NH2-OE1 3.26Å; R31-E365 IonicContact NH2-OE2 2.83Å; R31-E365 PolarHBondContact NH2-OE2 3.23Å; N362-E365 HydrophobicContact CB-CB 4.24Å; N362-E365 PolarHBondContact ND2-OE1 3.32Å; N362-E365 PolarHBondContact O-N 2.97Å; E365-I367 PolarHBondContact O-N 3.36Å; E365-I367 VanDerWaalsContact O-N 3.14Å; E365-A368 PolarHBondContact O-N 3.09Å; E365-M369 HydrophobicContact CB-CG 4.39Å; E365-M369 WeakPolarHBondContact O-CB 3.5Å; E365-M369 WeakPolarHBondContact O-CG 3.41Å; E365-M369 PolarHBondContact O-N 3.36Å
366A95.5Very high92.6Very high1 Ų131 Ų311%0.00814%0.143CC..Hα-helixtrans-59.9-32.9-169.700000113.1N178 M335 L361 N362 G370N178-A366 HydrophobicContact CB-CB 4.11Å; N178-A366 WeakPolarHBondContact CB-O 3.43Å; M335-A366 HydrophobicContact CE-CB 3.84Å; M335-A366 HydrophobicContact SD-CB 4.42Å; L361-A366 HydrophobicContact CB-CB 3.95Å; L361-A366 HydrophobicContact CD1-CB 3.94Å; L361-A366 HydrophobicContact CD2-CB 4.3Å; L361-A366 HydrophobicContact CG-CB 4.31Å; N362-A366 WeakPolarHBondContact O-CB 3.45Å; N362-A366 PolarHBondContact O-N 3.22Å; A366-G370 PolarHBondContact O-N 2.8Å
367I96.8Very high92.5Very high12 Ų1229 Ų296%0.06213%0.134CC..Hα-helixtrans-65.3-51175.7-63.6167.7000110.4D4 D171 A174 A175 M335 E365 M369 G370 A371D4-I367 HydrophobicContact CB-CB 4.31Å; D4-I367 HydrophobicContact CB-CG2 3.94Å; D4-I367 VanDerWaalsContact OD1-CG2 3.22Å; D4-I367 WeakPolarHBondContact OD1-CG2 3.33Å; D171-I367 HydrophobicContact CB-CD1 4.12Å; D171-I367 HydrophobicContact CB-CG2 4.16Å; A174-I367 HydrophobicContact CB-CG2 4.05Å; A174-I367 WeakPolarHBondContact CB-O 3.47Å; A175-I367 HydrophobicContact CB-CG1 4.16Å; M335-I367 HydrophobicContact CE-CD1 4.46Å; M335-I367 HydrophobicContact CE-CG1 4.19Å; E365-I367 PolarHBondContact O-N 3.36Å; E365-I367 VanDerWaalsContact O-N 3.14Å; I367-M369 VanDerWaalsContact C-N 3.31Å; I367-M369 PolarHBondContact O-N 2.86Å; I367-G370 PolarHBondContact O-N 3.24Å; I367-A371 WeakPolarHBondContact O-CB 3.42Å; I367-A371 PolarHBondContact O-N 3.45Å
368A97.4Very high92.3Very high0 Ų033 Ų330%015%0.147CC..Hα-helixtrans-60.8-42177.300000111.4S2 D4 K11 I23 E365 A371 I372S2-A368 PolarHBondContact OG-O 3.2Å; D4-A368 HydrophobicContact CB-CB 3.96Å; K11-A368 HydrophobicContact CB-CB 4.22Å; I23-A368 HydrophobicContact CD1-CB 3.79Å; E365-A368 PolarHBondContact O-N 3.09Å; A368-A371 PolarHBondContact O-N 2.86Å; A368-I372 WeakPolarHBondContact O-CG2 3.44Å; A368-I372 PolarHBondContact O-N 2.67Å
369M95.7Very high92.3Very high28 Ų2834.6 Ų34.614%0.13816%0.155CC..Hα-helixtrans-71.1-32.3-179.5-69.3-59.5-65.400113.4M21 I23 N178 E365 I367 I372 Y373M21-M369 HydrophobicContact CB-CE 3.64Å; M21-M369 WeakPolarHBondContact O-CE 3.49Å; I23-M369 HydrophobicContact CD1-CG 3.86Å; I23-M369 HydrophobicContact CD1-SD 3.8Å; I23-M369 HydrophobicContact CG1-CG 4.39Å; I23-M369 HydrophobicContact CG1-SD 4.18Å; N178-M369 WeakPolarHBondContact ND2-CB 3.31Å; E365-M369 HydrophobicContact CB-CG 4.39Å; E365-M369 WeakPolarHBondContact O-CB 3.5Å; E365-M369 WeakPolarHBondContact O-CG 3.41Å; E365-M369 PolarHBondContact O-N 3.36Å; I367-M369 VanDerWaalsContact C-N 3.31Å; I367-M369 PolarHBondContact O-N 2.86Å; M369-I372 WeakPolarHBondContact O-CG2 3.48Å; M369-I372 HydrophobicContact SD-CG2 4.28Å; M369-Y373 PolarHBondContact O-N 3.28Å
370G95.3Very high92.3Very high0 Ų036.5 Ų36.50%017%0.168CC..Hα-helixtrans-67.9-49168.300000111.3A174 L177 A366 I367 I372 Y373 F374A174-G370 WeakPolarHBondContact O-CA 3.46Å; L177-G370 VanDerWaalsContact CD2-O 3.28Å; L177-G370 WeakPolarHBondContact CD2-O 3.19Å; A366-G370 PolarHBondContact O-N 2.8Å; I367-G370 PolarHBondContact O-N 3.24Å; G370-I372 VanDerWaalsContact C-N 3.31Å; G370-I372 PolarHBondContact O-N 2.75Å; G370-Y373 VanDerWaalsContact O-CB 3.29Å; G370-Y373 WeakPolarHBondContact O-CB 3.44Å; G370-Y373 PolarHBondContact O-N 2.68Å; G370-Y373 VanDerWaalsContact O-N 3.09Å; G370-F374 PolarHBondContact O-N 2.83Å
371A96.4Very high92.4Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-61.7-36.6-179.400000113V139 M169 A174 I367 A368 Y373 F374 A375V139-A371 HydrophobicContact CG1-CB 4.02Å; M169-A371 HydrophobicContact SD-CB 4.21Å; A174-A371 HydrophobicContact CB-CB 4.33Å; I367-A371 WeakPolarHBondContact O-CB 3.42Å; I367-A371 PolarHBondContact O-N 3.45Å; A368-A371 PolarHBondContact O-N 2.86Å; A371-Y373 VanDerWaalsContact C-N 3.34Å; A371-F374 PolarHBondContact O-N 2.98Å; A371-A375 PolarHBondContact O-N 2.87Å
372I95.2Very high92.3Very high4 Ų440.5 Ų40.52%0.02121%0.206CC..Hα-helixtrans-68.9-35175.8-169.362.6000111.6S2 I15 M21 A368 M369 G370 A375 A376S2-I372 WeakPolarHBondContact OG-CB 3.09Å; S2-I372 PolarHBondContact OG-N 3.45Å; I15-I372 HydrophobicContact CD1-CD1 4.16Å; I15-I372 HydrophobicContact CD1-CG1 3.8Å; I15-I372 HydrophobicContact CG1-CD1 4.05Å; I15-I372 HydrophobicContact CG1-CG1 3.64Å; M21-I372 HydrophobicContact CB-CG2 4.12Å; M21-I372 HydrophobicContact CG-CG1 4.31Å; M21-I372 HydrophobicContact CG-CG2 4.02Å; M21-I372 HydrophobicContact SD-CG2 4.04Å; A368-I372 WeakPolarHBondContact O-CG2 3.44Å; A368-I372 PolarHBondContact O-N 2.67Å; M369-I372 WeakPolarHBondContact O-CG2 3.48Å; M369-I372 HydrophobicContact SD-CG2 4.28Å; G370-I372 VanDerWaalsContact C-N 3.31Å; G370-I372 PolarHBondContact O-N 2.75Å; I372-A375 HydrophobicContact CD1-CB 4.46Å; I372-A375 WeakPolarHBondContact O-CB 3.37Å; I372-A375 PolarHBondContact O-N 3.01Å; I372-A376 WeakPolarHBondContact O-CB 3.38Å; I372-A376 PolarHBondContact O-N 3Å
373Y94.1Very high92Very high13 Ų1348.7 Ų48.75%0.05123%0.232CC..Hα-helixtrans-61.8-45.9172.6-172.2-82.3000111.4M21 L177 M181 M369 G370 A371 A375 A376 H377 V384 K385 F387M21-Y373 HydrophobicContact CE-CD2 3.9Å; M21-Y373 HydrophobicContact CE-CE2 4.48Å; M21-Y373 HydrophobicContact SD-CD2 3.88Å; M21-Y373 HydrophobicContact SD-CG 4.48Å; L177-Y373 HydrophobicContact CD1-CD1 4.1Å; L177-Y373 HydrophobicContact CD1-CE1 4.45Å; L177-Y373 HydrophobicContact CD2-CD1 3.93Å; L177-Y373 HydrophobicContact CD2-CG 4.45Å; L177-Y373 HydrophobicContact CG-CD1 4.21Å; M181-Y373 HydrophobicContact CE-CD1 4.03Å; M181-Y373 HydrophobicContact CE-CD2 4.22Å; M181-Y373 HydrophobicContact CE-CE1 3.28Å; M181-Y373 HydrophobicContact CE-CE2 3.52Å; M181-Y373 HydrophobicContact CE-CG 4.44Å; M181-Y373 WeakPolarHBondContact CE-OH 3.38Å; M181-Y373 HydrophobicContact CG-CD2 3.95Å; M181-Y373 HydrophobicContact CG-CE2 3.67Å; M181-Y373 HydrophobicContact SD-CD2 4.32Å; M181-Y373 HydrophobicContact SD-CE1 4.35Å; M181-Y373 HydrophobicContact SD-CE2 3.45Å; M181-Y373 WeakPolarHBondContact SD-CE2 3.3Å; M181-Y373 PolarHBondContact SD-OH 3.38Å; M369-Y373 PolarHBondContact O-N 3.28Å; G370-Y373 VanDerWaalsContact O-CB 3.29Å; G370-Y373 WeakPolarHBondContact O-CB 3.44Å; G370-Y373 PolarHBondContact O-N 2.68Å; G370-Y373 VanDerWaalsContact O-N 3.09Å; A371-Y373 VanDerWaalsContact C-N 3.34Å; Y373-A375 VanDerWaalsContact C-N 3.33Å; Y373-A375 PolarHBondContact O-N 3.18Å; Y373-A376 PolarHBondContact O-N 3.35Å; Y373-H377 PolarHBondContact O-N 2.87Å; Y373-V384 HydrophobicContact CE1-CG2 4.08Å; Y373-V384 HydrophobicContact CE2-CB 3.83Å; Y373-V384 HydrophobicContact CE2-CG1 4.17Å; Y373-V384 HydrophobicContact CE2-CG2 4.26Å; Y373-K385 PolarHBondContact OH-O 2.88Å; Y373-F387 HydrophobicContact CE1-CB 4.43Å
374F93.7Very high91.9Very high20 Ų2049.7 Ų49.79%0.08824%0.236CC..Hα-helixtrans-59-45.3175.5-180-90.4000111.2V139 A167 M169 L177 G370 A371 A376 H377 R378 I389V139-F374 HydrophobicContact CG1-CD1 4.23Å; V139-F374 HydrophobicContact CG2-CD1 4.02Å; A167-F374 HydrophobicContact CB-CE1 3.61Å; A167-F374 HydrophobicContact CB-CZ 4.26Å; M169-F374 HydrophobicContact CE-CB 4.17Å; M169-F374 HydrophobicContact CE-CD2 4.39Å; M169-F374 HydrophobicContact CE-CG 4.43Å; M169-F374 HydrophobicContact SD-CB 3.68Å; M169-F374 HydrophobicContact SD-CD1 4.46Å; M169-F374 HydrophobicContact SD-CD2 4.41Å; M169-F374 HydrophobicContact SD-CG 3.94Å; L177-F374 HydrophobicContact CD2-CB 4.01Å; G370-F374 PolarHBondContact O-N 2.83Å; A371-F374 PolarHBondContact O-N 2.98Å; F374-A376 PolarHBondContact O-N 2.8Å; F374-H377 PolarHBondContact O-N 3.16Å; F374-R378 HydrophobicContact CD1-CG 4.32Å; F374-R378 HydrophobicContact CE1-CG 3.87Å; F374-R378 HydrophobicContact CZ-CG 4.04Å; F374-R378 WeakPolarHBondContact O-CG 3.28Å; F374-R378 PolarHBondContact O-N 3.15Å; F374-I389 HydrophobicContact CD2-CD1 3.93Å
375A93.4Very high91.8Very high2 Ų254.4 Ų54.42%0.01726%0.255CS..Hα-helixtrans-57.1-48.5175.900000111.6V139 A371 I372 Y373 H377 R378 I379V139-A375 HydrophobicContact CB-CB 4.25Å; V139-A375 HydrophobicContact CG2-CB 3.52Å; A371-A375 PolarHBondContact O-N 2.87Å; I372-A375 HydrophobicContact CD1-CB 4.46Å; I372-A375 WeakPolarHBondContact O-CB 3.37Å; I372-A375 PolarHBondContact O-N 3.01Å; Y373-A375 VanDerWaalsContact C-N 3.33Å; Y373-A375 PolarHBondContact O-N 3.18Å; A375-H377 VanDerWaalsContact C-N 3.27Å; A375-H377 PolarHBondContact O-N 2.84Å; A375-R378 PolarHBondContact O-N 3.27Å; A375-I379 HydrophobicContact CB-CD1 4.47Å; A375-I379 WeakPolarHBondContact O-CG1 3.44Å; A375-I379 PolarHBondContact O-N 3.15Å
376A92.2Very high91.4Very high2 Ų260.7 Ų60.72%0.01728%0.282CS..Hα-helixtrans-61.8-32.817900000113I15 I372 Y373 F374 R378 Y382 V384I15-A376 HydrophobicContact CD1-CB 3.5Å; I372-A376 WeakPolarHBondContact O-CB 3.38Å; I372-A376 PolarHBondContact O-N 3Å; Y373-A376 PolarHBondContact O-N 3.35Å; F374-A376 PolarHBondContact O-N 2.8Å; A376-R378 VanDerWaalsContact C-N 3.29Å; A376-R378 PolarHBondContact O-N 3.3Å; A376-Y382 HydrophobicContact CB-CG 4.44Å; A376-Y382 WeakPolarHBondContact O-CB 3.34Å; A376-V384 HydrophobicContact CB-CG1 3.68Å; A376-V384 HydrophobicContact CB-CG2 4.48Å
377H90.7Very high91Very high83 Ų8362.2 Ų62.238%0.38429%0.288SS..Hα-helixtrans-70.4-25.4174.8-173.956.2000113.1Y373 F374 A375 V384Y373-H377 PolarHBondContact O-N 2.87Å; F374-H377 PolarHBondContact O-N 3.16Å; A375-H377 VanDerWaalsContact C-N 3.27Å; A375-H377 PolarHBondContact O-N 2.84Å; H377-V384 HydrophobicContact CB-CG2 3.78Å
378R89.8Confident90.3Very high105 Ų10566.6 Ų66.640%0.39631%0.311SS..Hα-helixtrans-94.9-31.4-176.1-66.3-56.8-173.6125.81.8114.2I166 F374 A375 A376 D501I166-R378 HydrophobicContact CG2-CB 3.83Å; I166-R378 HydrophobicContact CG2-CG 4.41Å; F374-R378 HydrophobicContact CD1-CG 4.32Å; F374-R378 HydrophobicContact CE1-CG 3.87Å; F374-R378 HydrophobicContact CZ-CG 4.04Å; F374-R378 WeakPolarHBondContact O-CG 3.28Å; F374-R378 PolarHBondContact O-N 3.15Å; A375-R378 PolarHBondContact O-N 3.27Å; A376-R378 VanDerWaalsContact C-N 3.29Å; A376-R378 PolarHBondContact O-N 3.3Å; R378-D501 IonicContact CZ-OD1 2.86Å; R378-D501 IonicContact CZ-OD2 3.26Å; R378-D501 VanDerWaalsContact NH1-CG 3.26Å; R378-D501 IonicContact NH1-OD1 3.69Å; R378-D501 PolarHBondContact NH1-OD1 3.35Å; R378-D501 IonicContact NH1-OD2 2.69Å; R378-D501 PolarHBondContact NH1-OD2 2.75Å; R378-D501 IonicContact NH2-OD1 3.42Å; R378-D501 PolarHBondContact NH2-OD1 2.83Å; R378-D501 IonicContact NH2-OD2 3.02Å; R378-D501 PolarHBondContact NH2-OD2 3.14Å
379I89.5Confident89.6Confident33 Ų3368.7 Ų68.717%0.16932%0.322CS..SBendtrans-81.3124.8-177.3-63.7167.7000110D137 I166 A375 G381 Y382D137-I379 HydrophobicContact CB-CD1 3.84Å; I166-I379 HydrophobicContact CD1-CD1 4.43Å; I166-I379 HydrophobicContact CD1-CG1 4.07Å; I166-I379 HydrophobicContact CG1-CD1 4.22Å; I166-I379 HydrophobicContact CG1-CG1 4.22Å; A375-I379 HydrophobicContact CB-CD1 4.47Å; A375-I379 WeakPolarHBondContact O-CG1 3.44Å; A375-I379 PolarHBondContact O-N 3.15Å; I379-G381 PolarHBondContact O-N 2.96Å; I379-Y382 HydrophobicContact CB-CD2 3.94Å; I379-Y382 HydrophobicContact CB-CE2 4.35Å; I379-Y382 HydrophobicContact CG2-CD2 3.8Å; I379-Y382 HydrophobicContact CG2-CE2 3.92Å; I379-Y382 PolarHBondContact O-N 3.48Å
380K84.6Confident88.9Confident212 Ų21273.5 Ų73.592%0.92234%0.342SS*.THydrogen-bonded Turntrans-61.2127.4173-64.4-177.7-179-179.80109.1
381G84.9Confident88.6Confident77 Ų7774.2 Ų74.279%0.79435%0.346SS*.THydrogen-bonded Turntrans118.8-27.6-179.500000113.5I379I379-G381 PolarHBondContact O-N 2.96Å
382Y86.4Confident88.2Confident99 Ų9974.3 Ų74.339%0.38835%0.346SS..  trans-91.1141.5171.3-64.1-79000110.9I15 A376 I379I15-Y382 HydrophobicContact CB-CE1 4.08Å; I15-Y382 HydrophobicContact CD1-CD1 4.49Å; I15-Y382 HydrophobicContact CG2-CD1 4.06Å; I15-Y382 HydrophobicContact CG2-CE1 3.47Å; I15-Y382 VanDerWaalsContact CG2-CE1 3.47Å; A376-Y382 HydrophobicContact CB-CG 4.44Å; A376-Y382 WeakPolarHBondContact O-CB 3.34Å; I379-Y382 HydrophobicContact CB-CD2 3.94Å; I379-Y382 HydrophobicContact CB-CE2 4.35Å; I379-Y382 HydrophobicContact CG2-CD2 3.8Å; I379-Y382 HydrophobicContact CG2-CE2 3.92Å; I379-Y382 PolarHBondContact O-N 3.48Å
383R85.9Confident87.9Confident250 Ų25074.5 Ų74.594%0.94335%0.347SS*.  trans-120.399173.4-66.7-176.1-176.2178.42109
384V88.1Confident87.7Confident41 Ų4174 Ų7425%0.24835%0.345CS..  trans-104.7157.4168.6-63.50000109.8Y373 A376 H377Y373-V384 HydrophobicContact CE1-CG2 4.08Å; Y373-V384 HydrophobicContact CE2-CB 3.83Å; Y373-V384 HydrophobicContact CE2-CG1 4.17Å; Y373-V384 HydrophobicContact CE2-CG2 4.26Å; A376-V384 HydrophobicContact CB-CG1 3.68Å; A376-V384 HydrophobicContact CB-CG2 4.48Å; H377-V384 HydrophobicContact CB-CG2 3.78Å
385K87.8Confident87.7Confident126 Ų12673.6 Ų73.655%0.54834%0.343SS..  trans-57.4154.2173.2-60.5-151.9-169.9177.80109.8R184 Y373 F387R184-K385 VanDerWaalsContact CZ-CD 3.43Å; R184-K385 VanDerWaalsContact NH2-CE 3.33Å; Y373-K385 PolarHBondContact OH-O 2.88Å; K385-F387 PolarHBondContact O-N 3.34Å
386K85.8Confident87.8Confident167 Ų16774 Ų7473%0.72635%0.346SS*.  trans-81.4124.1178.7-168.4174.1-178.7177.20109.5
387F86.9Confident88Confident32 Ų3274 Ų7414%0.1435%0.345CS..  trans-130.7106.2168.1-169.2-81.5000108.7L177 G180 M181 K211 Y373 K385 I389L177-F387 HydrophobicContact CD1-CB 4.41Å; L177-F387 HydrophobicContact CD1-CD1 3.47Å; L177-F387 VanDerWaalsContact CD1-CD1 3.47Å; L177-F387 HydrophobicContact CD1-CE1 4.01Å; L177-F387 HydrophobicContact CD1-CG 4.15Å; G180-F387 VanDerWaalsContact O-CE2 3.26Å; G180-F387 WeakPolarHBondContact O-CE2 3.45Å; M181-F387 HydrophobicContact CE-CB 3.22Å; M181-F387 HydrophobicContact CE-CD2 3.86Å; M181-F387 HydrophobicContact CE-CG 3.65Å; K211-F387 HydrophobicContact CD-CZ 4.37Å; Y373-F387 HydrophobicContact CE1-CB 4.43Å; K385-F387 PolarHBondContact O-N 3.34Å; F387-I389 HydrophobicContact CD1-CG1 4.31Å; F387-I389 PolarHBondContact O-N 3.01Å
388L81.9Confident88.4Confident104 Ų10471.1 Ų71.155%0.54533%0.332SS..  trans-70.9124.7-175-174.767.4000110.2
389I83.4Confident88.7Confident44 Ų4466.1 Ų66.123%0.22631%0.313CS..  trans-110.5131.9172.6-53.4170.4000107M169 T173 L177 F374 F387M169-I389 HydrophobicContact CE-CD1 4.11Å; T173-I389 HydrophobicContact CG2-CG2 3.66Å; L177-I389 HydrophobicContact CB-CD1 4.18Å; L177-I389 HydrophobicContact CD1-CD1 3.56Å; L177-I389 HydrophobicContact CD1-CG1 3.9Å; L177-I389 HydrophobicContact CD2-CD1 3.4Å; L177-I389 VanDerWaalsContact CD2-CD1 3.4Å; L177-I389 HydrophobicContact CG-CD1 3.89Å; F374-I389 HydrophobicContact CD2-CD1 3.93Å; F387-I389 HydrophobicContact CD1-CG1 4.31Å; F387-I389 PolarHBondContact O-N 3.01Å
390K80.8Confident89Confident129 Ų12967.9 Ų67.956%0.56132%0.318SS*.  trans-121.4116.6168.5-70.4-173.8178.7-178.50107.7N216N216-K390 PolarHBondContact ND2-O 3.34Å
391E88.4Confident89.5Confident16 Ų1658.1 Ų58.18%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-83.4160172.7-94.1-71.8179.100110.8N170 T173 R218 S427 Y428N170-E391 PolarHBondContact ND2-OE1 2.87Å; N170-E391 PolarHBondContact ND2-OE2 2.83Å; N170-E391 VanDerWaalsContact ND2-OE2 3.15Å; T173-E391 WeakPolarHBondContact CB-OE1 3.49Å; T173-E391 HydrophobicContact CG2-CG 4.39Å; T173-E391 WeakPolarHBondContact CG2-OE1 3.19Å; T173-E391 PolarHBondContact OG1-OE1 2.73Å; R218-E391 IonicContact CZ-OE2 3.82Å; R218-E391 IonicContact NH1-OE2 3.65Å; R218-E391 PolarHBondContact NH1-OE2 2.86Å; E391-S427 CarbonylContact O-C 3.56Å; E391-S427 WeakPolarHBondContact O-CA 3.5Å; E391-S427 WeakPolarHBondContact O-CB 3.43Å; E391-Y428 HydrophobicContact CB-CD1 4.08Å; E391-Y428 HydrophobicContact CB-CD2 3.89Å; E391-Y428 HydrophobicContact CB-CE1 3.72Å; E391-Y428 HydrophobicContact CB-CE2 3.51Å; E391-Y428 HydrophobicContact CB-CG 4.15Å; E391-Y428 VanDerWaalsContact CB-CZ 3.4Å; E391-Y428 HydrophobicContact CG-CE2 3.98Å; E391-Y428 PolarHBondContact N-O 2.82Å; E391-Y428 PolarHBondContact O-N 3.13Å; E391-Y428 PolarHBondContact OE2-OH 2.9Å; E391-Y428 VanDerWaalsContact OE2-OH 3.09Å
392V88.1Confident89.9Confident1 Ų156.3 Ų56.31%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-124.3136.9-175.2-31.20000110.2P215 N216 F394 S426 Y428P215-V392 VanDerWaalsContact CA-CG1 3.46Å; P215-V392 HydrophobicContact CB-CB 3.97Å; P215-V392 HydrophobicContact CB-CG1 3.1Å; N216-V392 HydrophobicContact CB-CG1 4.27Å; N216-V392 VanDerWaalsContact O-CG1 3.3Å; N216-V392 WeakPolarHBondContact O-CG1 3.37Å; N216-V392 WeakPolarHBondContact O-CG2 3.45Å; V392-F394 PolarHBondContact O-N 2.78Å; V392-F394 VanDerWaalsContact O-N 3.12Å; V392-S426 CarbonylContact C-O 3.51Å; V392-S426 WeakPolarHBondContact CA-O 3.46Å; V392-Y428 VanDerWaalsContact O-CE1 3.29Å; V392-Y428 WeakPolarHBondContact O-CE1 3.25Å
393N90.7Very high90.1Very high9 Ų953.2 Ų53.25%0.04825%0.246CC..  trans-72.2106.7174.9-172.138.9000109.3Y395 Y422 S423 G425 S426 Y428 M499N393-Y395 VanDerWaalsContact CG-O 3.27Å; N393-Y395 PolarHBondContact ND2-O 2.86Å; N393-Y395 PolarHBondContact OD1-O 3.27Å; N393-Y395 VanDerWaalsContact OD1-O 3.04Å; N393-Y422 WeakPolarHBondContact ND2-CB 3.43Å; N393-Y422 PolarHBondContact ND2-O 3.42Å; N393-S423 PolarHBondContact ND2-O 3.34Å; N393-G425 PolarHBondContact O-N 2.75Å; N393-S426 VanDerWaalsContact CB-O 3.29Å; N393-S426 WeakPolarHBondContact CB-O 3.3Å; N393-S426 PolarHBondContact N-O 2.81Å; N393-Y428 HydrophobicContact CB-CD1 4.47Å; N393-M499 HydrophobicContact CB-CE 3.73Å
394F88.4Confident89.8Confident2 Ų244.1 Ų44.11%0.00921%0.214CC..SBendtrans-80.6-26.5179.9-178.6-119.5000112.1R218 L219 Y220 M321 V392 L424 H454 L455R218-F394 HydrophobicContact CG-CD2 4.19Å; R218-F394 HydrophobicContact CG-CG 4.36Å; R218-F394 WeakPolarHBondContact O-CE2 3.46Å; L219-F394 HydrophobicContact CD1-CE2 4.14Å; L219-F394 HydrophobicContact CD1-CZ 3.95Å; L219-F394 HydrophobicContact CD2-CE2 4.18Å; Y220-F394 HydrophobicContact CD1-CE1 4.24Å; Y220-F394 HydrophobicContact CD1-CZ 4.39Å; Y220-F394 AromaticContact CE1-CE1 3.72Å; Y220-F394 HydrophobicContact CE1-CE1 3.72Å; Y220-F394 HydrophobicContact CE1-CZ 4.04Å; M321-F394 HydrophobicContact CE-CD2 3.69Å; M321-F394 HydrophobicContact CE-CE2 4.09Å; M321-F394 HydrophobicContact SD-CD2 3.74Å; M321-F394 HydrophobicContact SD-CE2 3.61Å; V392-F394 PolarHBondContact O-N 2.78Å; V392-F394 VanDerWaalsContact O-N 3.12Å; F394-L424 WeakPolarHBondContact O-CD1 3.27Å; F394-H454 AromaticContact CE2-CD2 3.66Å; F394-H454 AromaticContact CE2-NE2 3.74Å; F394-H454 AromaticContact CZ-CD2 3.74Å; F394-H454 AromaticContact CZ-NE2 3.69Å; F394-H454 PolarHBondContact O-CE1 2.68Å; F394-H454 PolarHBondContact O-NE2 3.36Å; F394-L455 HydrophobicContact CE1-CD2 3.95Å; F394-L455 HydrophobicContact CZ-CD2 3.66Å
395Y94.1Very high88.7Confident12 Ų1249 Ų495%0.04723%0.232CC..SBendtrans-113.8107.2178.8-55.6-56000109.9F145 N147 N393 Y449 L452 L455 F463F145-Y395 WeakPolarHBondContact CA-OH 3.45Å; F145-Y395 PolarHBondContact O-OH 2.99Å; N147-Y395 HydrophobicContact CB-CE2 4.32Å; N393-Y395 VanDerWaalsContact CG-O 3.27Å; N393-Y395 PolarHBondContact ND2-O 2.86Å; N393-Y395 PolarHBondContact OD1-O 3.27Å; N393-Y395 VanDerWaalsContact OD1-O 3.04Å; Y395-Y449 HydrophobicContact CD2-CE1 4.48Å; Y395-Y449 HydrophobicContact CG-CD1 4.5Å; Y395-Y449 HydrophobicContact CG-CE1 4.29Å; Y395-L452 HydrophobicContact CD1-CD2 3.98Å; Y395-L455 HydrophobicContact CE1-CD1 4.08Å; Y395-L455 HydrophobicContact CE1-CD2 4.44Å; Y395-F463 AromaticContact CD1-CE2 3.64Å; Y395-F463 HydrophobicContact CD1-CE2 3.64Å; Y395-F463 HydrophobicContact CD1-CZ 4.13Å; Y395-F463 AromaticContact CD2-CE2 3.99Å; Y395-F463 HydrophobicContact CD2-CE2 3.99Å; Y395-F463 HydrophobicContact CD2-CZ 4.4Å; Y395-F463 HydrophobicContact CE1-CD2 4.07Å; Y395-F463 AromaticContact CE1-CE2 3.48Å; Y395-F463 HydrophobicContact CE1-CE2 3.48Å; Y395-F463 VanDerWaalsContact CE1-CE2 3.48Å; Y395-F463 HydrophobicContact CE1-CZ 4.4Å; Y395-F463 AromaticContact CE2-CE2 3.85Å; Y395-F463 HydrophobicContact CE2-CE2 3.85Å; Y395-F463 AromaticContact CG-CE2 3.88Å; Y395-F463 HydrophobicContact CG-CE2 3.88Å; Y395-F463 HydrophobicContact CG-CZ 4.12Å; Y395-F463 AromaticContact CZ-CE2 3.59Å
396P95.3Very high87.3Confident11 Ų1145.9 Ų45.97%0.07123%0.226CC..  trans-57145.317924.1-32.2000110.4Y422 Y449 G450 D451P396-Y422 CarbonylContact C-O 3.56Å; P396-Y422 WeakPolarHBondContact CA-O 3.48Å; P396-Y449 CarbonylContact O-C 3.59Å; P396-Y449 VanDerWaalsContact O-CA 3.29Å; P396-Y449 WeakPolarHBondContact O-CA 3.21Å; P396-G450 PolarHBondContact O-N 2.94Å; P396-D451 WeakPolarHBondContact CG-O 3.13Å
397I97.5Very high85.7Confident0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-123132.6179.6-60.7169.9000107.9L421 Y422 N448 Y449 I468 M499 L505I397-L421 HydrophobicContact CG2-CB 4.33Å; I397-L421 HydrophobicContact CG2-CD2 4.19Å; I397-L421 WeakPolarHBondContact O-CA 3Å; I397-L421 WeakPolarHBondContact O-CB 3.2Å; I397-L421 PolarHBondContact O-N 3.42Å; I397-Y422 HydrophobicContact CB-CD2 4.23Å; I397-Y422 HydrophobicContact CD1-CD2 4.22Å; I397-Y422 PolarHBondContact N-O 3.28Å; I397-Y422 PolarHBondContact O-N 2.96Å; I397-N448 CarbonylContact C-O 3.59Å; I397-N448 WeakPolarHBondContact CA-O 3.37Å; I397-Y449 HydrophobicContact CG1-CD1 4.49Å; I397-I468 HydrophobicContact CD1-CD1 4.4Å; I397-I468 HydrophobicContact CG1-CD1 4.06Å; I397-I468 HydrophobicContact CG2-CD1 4.2Å; I397-M499 HydrophobicContact CD1-SD 4.34Å; I397-L505 HydrophobicContact CD1-CB 4.39Å; I397-L505 HydrophobicContact CD1-CD2 4.18Å; I397-L505 HydrophobicContact CG2-CD2 3.89Å
398E97.5Very high84.1Confident24 Ų2455 Ų5511%0.11227%0.272CS..EExtended strand (participates in β ladder)trans-125.3151.5-177.4-67.3-173.1156.600110.3Y400 R419 L447 N448E398-Y400 HydrophobicContact CB-CD1 4.06Å; E398-Y400 HydrophobicContact CB-CE1 3.57Å; E398-Y400 HydrophobicContact CG-CE1 4.48Å; E398-Y400 WeakPolarHBondContact OE2-CE1 3.48Å; E398-Y400 PolarHBondContact OE2-OH 3.1Å; E398-R419 CarbonylContact C-O 3.45Å; E398-R419 WeakPolarHBondContact CA-O 3.43Å; E398-L447 WeakPolarHBondContact O-CA 3.43Å; E398-N448 PolarHBondContact N-O 2.84Å; E398-N448 PolarHBondContact O-N 3.49Å
399V97.4Very high82.7Confident0 Ų055.6 Ų55.60%027%0.272CS..EExtended strand (participates in β ladder)trans-106.2123.2171.9-172.10000108.9F401 R418 R419 L421 I434 F436 L445 A446 L447 F497V399-F401 HydrophobicContact CG1-CD1 4.38Å; V399-R418 CarbonylContact O-C 3.59Å; V399-R418 WeakPolarHBondContact O-CA 3.27Å; V399-R419 PolarHBondContact N-O 2.87Å; V399-R419 PolarHBondContact O-N 3.15Å; V399-L421 HydrophobicContact CG2-CB 3.99Å; V399-L421 HydrophobicContact CG2-CD1 4.41Å; V399-L421 HydrophobicContact CG2-CD2 4.17Å; V399-L421 HydrophobicContact CG2-CG 4.41Å; V399-I434 HydrophobicContact CB-CD1 4.01Å; V399-I434 HydrophobicContact CG2-CD1 3.51Å; V399-F436 HydrophobicContact CG1-CZ 4.34Å; V399-L445 HydrophobicContact CG1-CB 3.89Å; V399-L445 HydrophobicContact CG1-CD1 4.12Å; V399-L445 HydrophobicContact CG1-CD2 4.05Å; V399-L445 HydrophobicContact CG1-CG 4.27Å; V399-A446 WeakPolarHBondContact CA-O 3.04Å; V399-L447 HydrophobicContact CB-CD2 4.28Å; V399-L447 HydrophobicContact CG1-CD2 4.12Å; V399-L447 HydrophobicContact CG2-CD2 3.6Å; V399-F497 HydrophobicContact CG2-CE2 4.47Å; V399-F497 HydrophobicContact CG2-CZ 4.38Å
400Y96.2Very high81.3Confident70 Ų7058.8 Ų58.828%0.27530%0.298SS..EExtended strand (participates in β ladder)trans-105.7133.7178.4-73.547.5000107.6E398 I416 L417 R418 L445 A446 N448E398-Y400 HydrophobicContact CB-CD1 4.06Å; E398-Y400 HydrophobicContact CB-CE1 3.57Å; E398-Y400 HydrophobicContact CG-CE1 4.48Å; E398-Y400 WeakPolarHBondContact OE2-CE1 3.48Å; E398-Y400 PolarHBondContact OE2-OH 3.1Å; Y400-I416 HydrophobicContact CD2-CG2 4.05Å; Y400-L417 CarbonylContact C-O 3.57Å; Y400-L417 WeakPolarHBondContact CA-O 3.49Å; Y400-R418 HydrophobicContact CD1-CB 4.28Å; Y400-R418 HydrophobicContact CE1-CB 4.1Å; Y400-L445 CarbonylContact O-C 3.46Å; Y400-L445 WeakPolarHBondContact O-CA 3.34Å; Y400-A446 PolarHBondContact N-O 3.42Å; Y400-A446 PolarHBondContact O-N 2.94Å; Y400-N448 HydrophobicContact CD1-CB 4.13Å; Y400-N448 VanDerWaalsContact CD1-ND2 3.33Å; Y400-N448 WeakPolarHBondContact CD1-ND2 3.31Å; Y400-N448 HydrophobicContact CE1-CB 4.04Å
401F95.1Very high80.2Confident7 Ų759 Ų593%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-156.7148.5-178.559.9-80.2000111V399 L417 R419 F436 H439 L445V399-F401 HydrophobicContact CG1-CD1 4.38Å; F401-L417 HydrophobicContact CD1-CB 4.39Å; F401-L417 HydrophobicContact CD2-CB 4.23Å; F401-L417 HydrophobicContact CD2-CD1 4.4Å; F401-L417 HydrophobicContact CE1-CB 3.97Å; F401-L417 HydrophobicContact CE2-CB 3.8Å; F401-L417 HydrophobicContact CE2-CD1 3.64Å; F401-L417 HydrophobicContact CE2-CG 4.31Å; F401-L417 HydrophobicContact CZ-CB 3.65Å; F401-L417 HydrophobicContact CZ-CD1 4.04Å; F401-L417 PolarHBondContact N-O 2.89Å; F401-L417 PolarHBondContact O-N 2.93Å; F401-R419 HydrophobicContact CE1-CB 4.4Å; F401-R419 HydrophobicContact CE1-CG 3.88Å; F401-R419 HydrophobicContact CZ-CG 4.24Å; F401-F436 HydrophobicContact CB-CE1 4.44Å; F401-F436 AromaticContact CD1-CE1 3.71Å; F401-F436 HydrophobicContact CD1-CE1 3.71Å; F401-F436 AromaticContact CD2-CD1 3.93Å; F401-F436 HydrophobicContact CD2-CD1 3.93Å; F401-F436 AromaticContact CD2-CE1 3.88Å; F401-F436 HydrophobicContact CD2-CE1 3.88Å; F401-F436 AromaticContact CE1-CE1 3.82Å; F401-F436 HydrophobicContact CE1-CE1 3.82Å; F401-F436 AromaticContact CE2-CD1 3.88Å; F401-F436 HydrophobicContact CE2-CD1 3.88Å; F401-F436 AromaticContact CE2-CE1 3.97Å; F401-F436 HydrophobicContact CE2-CE1 3.97Å; F401-F436 HydrophobicContact CG-CD1 4.26Å; F401-F436 AromaticContact CG-CE1 3.74Å; F401-F436 HydrophobicContact CG-CE1 3.74Å; F401-F436 HydrophobicContact CZ-CD1 4.19Å; F401-F436 AromaticContact CZ-CE1 3.95Å; F401-F436 HydrophobicContact CZ-CE1 3.95Å; F401-H439 AromaticContact CD2-CE1 3.67Å; F401-H439 AromaticContact CE2-CE1 3.96Å; F401-L445 HydrophobicContact CB-CD2 3.56Å; F401-L445 HydrophobicContact CG-CD2 4.21Å
402A93.4Very high79.1Confident38 Ų3862.1 Ų62.131%0.31433%0.33SS..EExtended strand (participates in β ladder)trans-70.6141.2176.800000111.4P414 H439A402-P414 HydrophobicContact CB-CB 4.12Å; A402-H439 PolarHBondContact O-CE1 3.42Å; A402-H439 PolarHBondContact O-NE2 2.74Å
403S89Confident78.4Confident34 Ų3470.5 Ų70.524%0.23837%0.369CS..PPolyproline II helixtrans-66.7139.616564.30000109.9P414 K415S403-P414 WeakPolarHBondContact O-CB 3.2Å; S403-K415 PolarHBondContact N-O 2.83Å; S403-K415 PolarHBondContact OG-N 3.2Å; S403-K415 PolarHBondContact OG-O 3.31Å
404E79.5Confident77.8Confident59 Ų5972.9 Ų72.928%0.27639%0.385SS..PPolyproline II helixtrans-68140172.3-163.2165.7-147.900111S406 H439 M440 H441E404-S406 PolarHBondContact O-N 2.94Å; E404-H439 WeakPolarHBondContact OE2-CA 3.45Å; E404-H439 PolarHBondContact OE2-N 3.25Å; E404-H439 VanDerWaalsContact OE2-N 3.12Å; E404-M440 PolarHBondContact OE1-N 2.85Å; E404-M440 PolarHBondContact OE2-N 2.85Å; E404-H441 IonicContact OE1-ND1 2.78Å; E404-H441 PolarHBondContact OE1-ND1 3.28Å
405K66.1Low77.9Confident145 Ų14579.9 Ų79.963%0.6342%0.416SS*.PPolyproline II helixtrans-66.4124.2178.4-67-176.6178.5-177.10108.7
406S57.4Low77.7Confident60 Ų6085.1 Ų85.142%0.4244%0.443SS..PPolyproline II helixtrans-71.6139.4166.974.20000108.5E404 Q408 E409E404-S406 PolarHBondContact O-N 2.94Å; S406-Q408 PolarHBondContact O-N 3.43Å; S406-E409 PolarHBondContact O-N 2.85Å; S406-E409 VanDerWaalsContact O-N 3.17Å
407E52.5Low77.7Confident200 Ų20087.7 Ų87.794%0.93546%0.456SS*.THydrogen-bonded Turntrans-58.3-16.1178.4-69.6179.6162.700113.1
408Q53.4Low77.5Confident190 Ų19096.3 Ų96.389%0.88849%0.489SS*.THydrogen-bonded Turntrans-92.5-10.1-177.6-69179.1-9.800114.4S406S406-Q408 PolarHBondContact O-N 3.43Å
409E53.3Low77.5Confident116 Ų116100.2 Ų100.254%0.54250%0.503SS..  trans-123.271.9179.9-71.9-178.5166.100110.6S406 T411S406-E409 PolarHBondContact O-N 2.85Å; S406-E409 VanDerWaalsContact O-N 3.17Å; E409-T411 PolarHBondContact O-N 2.92Å
410S53Low77.4Confident112 Ų112104.1 Ų104.178%0.78353%0.527SS*.THydrogen-bonded Turntrans-69.9-10.3-175.359.50000114.9
411T57.4Low77.4Confident134 Ų134100.9 Ų100.982%0.82251%0.514SS*.THydrogen-bonded Turntrans-110.4-4.6-173.749.40000115.7E409E409-T411 PolarHBondContact O-N 2.92Å
412T66.6Low77.4Confident80 Ų80100.6 Ų100.649%0.49151%0.512SS..SBendtrans-96.4129.6-175.3-39.60000110.8
413E73.3Confident77.5Confident177 Ų177101.4 Ų101.483%0.82752%0.516SS*.PPolyproline II helixtrans-59.7141.3172.1-70.6-172.8166.700110.7K415E413-K415 PolarHBondContact O-N 2.97Å
414P78.2Confident77.6Confident59 Ų59103.2 Ų103.238%0.38352%0.523SS..PPolyproline II helixtrans-62.9128.7-178.926.3-33.2000110.7A402 S403A402-P414 HydrophobicContact CB-CB 4.12Å; S403-P414 WeakPolarHBondContact O-CB 3.2Å
415K89.3Confident78Confident149 Ų149101.5 Ų101.565%0.64852%0.521SS*.PPolyproline II helixtrans-73.3129.2179.2-175.3175.2-178.1174.30110S403 E413 L417S403-K415 PolarHBondContact N-O 2.83Å; S403-K415 PolarHBondContact OG-N 3.2Å; S403-K415 PolarHBondContact OG-O 3.31Å; E413-K415 PolarHBondContact O-N 2.97Å; K415-L417 HydrophobicContact CD-CD2 4.43Å; K415-L417 HydrophobicContact CG-CD2 4.45Å; K415-L417 PolarHBondContact O-N 3.07Å
416I91.2Very high79.1Confident122 Ų12295.3 Ų95.363%0.62650%0.496SS*.EExtended strand (participates in β ladder)trans-72118.6170.9-58.4175.6000108.8Y400Y400-I416 HydrophobicContact CD2-CG2 4.05Å
417L93.9Very high80.7Confident65 Ų6594.9 Ų94.934%0.3449%0.493SS..EExtended strand (participates in β ladder)trans-97144173.6-59.6176.8000109.1Y400 F401 K415Y400-L417 CarbonylContact C-O 3.57Å; Y400-L417 WeakPolarHBondContact CA-O 3.49Å; F401-L417 HydrophobicContact CD1-CB 4.39Å; F401-L417 HydrophobicContact CD2-CB 4.23Å; F401-L417 HydrophobicContact CD2-CD1 4.4Å; F401-L417 HydrophobicContact CE1-CB 3.97Å; F401-L417 HydrophobicContact CE2-CB 3.8Å; F401-L417 HydrophobicContact CE2-CD1 3.64Å; F401-L417 HydrophobicContact CE2-CG 4.31Å; F401-L417 HydrophobicContact CZ-CB 3.65Å; F401-L417 HydrophobicContact CZ-CD1 4.04Å; F401-L417 PolarHBondContact N-O 2.89Å; F401-L417 PolarHBondContact O-N 2.93Å; K415-L417 HydrophobicContact CD-CD2 4.43Å; K415-L417 HydrophobicContact CG-CD2 4.45Å; K415-L417 PolarHBondContact O-N 3.07Å
418R94.6Very high82.6Confident181 Ų18185.9 Ų85.968%0.68345%0.45SS*.EExtended strand (participates in β ladder)trans-120.6139.4175.164.7-178.2179.4-168.70.4110.7V399 Y400V399-R418 CarbonylContact O-C 3.59Å; V399-R418 WeakPolarHBondContact O-CA 3.27Å; Y400-R418 HydrophobicContact CD1-CB 4.28Å; Y400-R418 HydrophobicContact CE1-CB 4.1Å
419R95.7Very high84.4Confident107 Ų10780 Ų8040%0.40443%0.429SS..EExtended strand (participates in β ladder)trans-134.8132.1173.3-72.9179.9179.3176.5-0.1109.8E398 V399 F401 L421 I434 T435E398-R419 CarbonylContact C-O 3.45Å; E398-R419 WeakPolarHBondContact CA-O 3.43Å; V399-R419 PolarHBondContact N-O 2.87Å; V399-R419 PolarHBondContact O-N 3.15Å; F401-R419 HydrophobicContact CE1-CB 4.4Å; F401-R419 HydrophobicContact CE1-CG 3.88Å; F401-R419 HydrophobicContact CZ-CG 4.24Å; R419-L421 PolarHBondContact O-N 2.89Å; R419-I434 HydrophobicContact CB-CD1 4.3Å; R419-T435 PolarHBondContact NH1-O 2.79Å
420T95.8Very high86.4Confident82 Ų8277.4 Ų77.450%0.50342%0.417SS..EExtended strand (participates in β ladder)trans-67121.9175.1-51.20000110.4
421L96.5Very high88.4Confident2 Ų280 Ų801%0.0141%0.413CS..EExtended strand (participates in β ladder)trans-87.1-62.1171.8-171.762.4000109.3I397 V399 R419 K432 I434 F497 L505I397-L421 HydrophobicContact CG2-CB 4.33Å; I397-L421 HydrophobicContact CG2-CD2 4.19Å; I397-L421 WeakPolarHBondContact O-CA 3Å; I397-L421 WeakPolarHBondContact O-CB 3.2Å; I397-L421 PolarHBondContact O-N 3.42Å; V399-L421 HydrophobicContact CG2-CB 3.99Å; V399-L421 HydrophobicContact CG2-CD1 4.41Å; V399-L421 HydrophobicContact CG2-CD2 4.17Å; V399-L421 HydrophobicContact CG2-CG 4.41Å; R419-L421 PolarHBondContact O-N 2.89Å; L421-K432 HydrophobicContact CD1-CB 3.93Å; L421-K432 HydrophobicContact CD1-CD 4.49Å; L421-K432 WeakPolarHBondContact O-CD 3.41Å; L421-K432 VanDerWaalsContact O-CE 3.29Å; L421-K432 WeakPolarHBondContact O-CE 3.46Å; L421-K432 PolarHBondContact O-NZ 2.86Å; L421-I434 HydrophobicContact CD1-CD1 3.91Å; L421-I434 HydrophobicContact CD1-CG1 4.1Å; L421-F497 HydrophobicContact CD1-CB 4.19Å; L421-F497 HydrophobicContact CD1-CD2 3.5Å; L421-F497 HydrophobicContact CD1-CE2 4.13Å; L421-F497 HydrophobicContact CD1-CG 4Å; L421-F497 HydrophobicContact CD2-CB 3.86Å; L421-F497 HydrophobicContact CD2-CD1 4.07Å; L421-F497 HydrophobicContact CD2-CD2 3.99Å; L421-F497 HydrophobicContact CD2-CG 3.69Å; L421-F497 HydrophobicContact CG-CD2 4.41Å; L421-F497 HydrophobicContact CG-CG 4.49Å; L421-L505 HydrophobicContact CD2-CD1 4.03Å
422Y95.6Very high90.3Very high0 Ų076.7 Ų76.70%039%0.388CS..EExtended strand (participates in β ladder)trans-120.5116.4175.9-62.3-82.4000109.1N393 P396 I397 Q430 K432 M499 L505N393-Y422 WeakPolarHBondContact ND2-CB 3.43Å; N393-Y422 PolarHBondContact ND2-O 3.42Å; P396-Y422 CarbonylContact C-O 3.56Å; P396-Y422 WeakPolarHBondContact CA-O 3.48Å; I397-Y422 HydrophobicContact CB-CD2 4.23Å; I397-Y422 HydrophobicContact CD1-CD2 4.22Å; I397-Y422 PolarHBondContact N-O 3.28Å; I397-Y422 PolarHBondContact O-N 2.96Å; Y422-Q430 HydrophobicContact CE1-CB 4.03Å; Y422-Q430 HydrophobicContact CE1-CG 4.21Å; Y422-Q430 PolarHBondContact OH-O 3.13Å; Y422-K432 HydrophobicContact CD1-CD 4.04Å; Y422-K432 HydrophobicContact CE1-CD 3.86Å; Y422-K432 HydrophobicContact CE1-CG 3.96Å; Y422-M499 HydrophobicContact CD1-CE 3.66Å; Y422-M499 HydrophobicContact CD2-CE 4.3Å; Y422-M499 HydrophobicContact CE1-CB 4.1Å; Y422-M499 HydrophobicContact CE1-CE 4.13Å; Y422-M499 HydrophobicContact CE2-CB 4.24Å; Y422-M499 HydrophobicContact CG-CE 3.76Å; Y422-M499 PolarHBondContact OH-N 3.19Å; Y422-L505 HydrophobicContact CD2-CD1 4.22Å; Y422-L505 HydrophobicContact CE2-CD1 3.59Å
423S94.3Very high91.7Very high55 Ų5577.3 Ų77.339%0.38539%0.386SS..  trans-74.9162.3178.8590000111.2N393 G425 S426N393-S423 PolarHBondContact ND2-O 3.34Å; S423-G425 PolarHBondContact O-N 3.43Å; S423-S426 PolarHBondContact N-OG 2.91Å; S423-S426 WeakPolarHBondContact O-CB 3.46Å; S423-S426 PolarHBondContact O-N 3Å; S423-S426 VanDerWaalsContact O-N 3.13Å; S423-S426 PolarHBondContact O-OG 3.04Å
424L91.1Very high92.8Very high73 Ų7369.7 Ų69.738%0.38235%0.351SS..THydrogen-bonded Turntrans-54.2130164.9-174.666000108.9M321 F394 S426M321-L424 HydrophobicContact CE-CD1 3.34Å; M321-L424 HydrophobicContact CE-CD2 4.27Å; M321-L424 HydrophobicContact CE-CG 3.78Å; F394-L424 WeakPolarHBondContact O-CD1 3.27Å; L424-S426 VanDerWaalsContact C-N 3.28Å; L424-S426 PolarHBondContact O-N 3.17Å
425G88Confident93.6Very high23 Ų2368.9 Ų68.924%0.23735%0.345CS..THydrogen-bonded Turntrans78.9-1.7-179.500000115.8N393 S423N393-G425 PolarHBondContact O-N 2.75Å; S423-G425 PolarHBondContact O-N 3.43Å
426S90.3Very high93.9Very high15 Ų1561.9 Ų61.911%0.10531%0.314CS..  trans-66.1145.4172.158.90000111.4V392 N393 S423 L424V392-S426 CarbonylContact C-O 3.51Å; V392-S426 WeakPolarHBondContact CA-O 3.46Å; N393-S426 VanDerWaalsContact CB-O 3.29Å; N393-S426 WeakPolarHBondContact CB-O 3.3Å; N393-S426 PolarHBondContact N-O 2.81Å; S423-S426 PolarHBondContact N-OG 2.91Å; S423-S426 WeakPolarHBondContact O-CB 3.46Å; S423-S426 PolarHBondContact O-N 3Å; S423-S426 VanDerWaalsContact O-N 3.13Å; S423-S426 PolarHBondContact O-OG 3.04Å; L424-S426 VanDerWaalsContact C-N 3.28Å; L424-S426 PolarHBondContact O-N 3.17Å
427S90.5Very high93.9Very high51 Ų5160.9 Ų60.936%0.35731%0.311SS..EExtended strand (participates in β ladder)trans-82.6149.8-175.660.90000113.5E391 Q430E391-S427 CarbonylContact O-C 3.56Å; E391-S427 WeakPolarHBondContact O-CA 3.5Å; E391-S427 WeakPolarHBondContact O-CB 3.43Å; S427-Q430 WeakPolarHBondContact O-CB 3.29Å; S427-Q430 PolarHBondContact O-OE1 2.97Å
428Y91.7Very high93.8Very high11 Ų1165.3 Ų65.34%0.04333%0.327CS..EExtended strand (participates in β ladder)trans-128.5154.2164.366.4-92.5000112.2N170 E391 V392 N393 M499 D500N170-Y428 PolarHBondContact ND2-OH 2.9Å; E391-Y428 HydrophobicContact CB-CD1 4.08Å; E391-Y428 HydrophobicContact CB-CD2 3.89Å; E391-Y428 HydrophobicContact CB-CE1 3.72Å; E391-Y428 HydrophobicContact CB-CE2 3.51Å; E391-Y428 HydrophobicContact CB-CG 4.15Å; E391-Y428 VanDerWaalsContact CB-CZ 3.4Å; E391-Y428 HydrophobicContact CG-CE2 3.98Å; E391-Y428 PolarHBondContact N-O 2.82Å; E391-Y428 PolarHBondContact O-N 3.13Å; E391-Y428 PolarHBondContact OE2-OH 2.9Å; E391-Y428 VanDerWaalsContact OE2-OH 3.09Å; V392-Y428 VanDerWaalsContact O-CE1 3.29Å; V392-Y428 WeakPolarHBondContact O-CE1 3.25Å; N393-Y428 HydrophobicContact CB-CD1 4.47Å; Y428-M499 HydrophobicContact CD1-CE 3.92Å; Y428-M499 HydrophobicContact CD1-SD 4.4Å; Y428-M499 HydrophobicContact CG-CE 4.14Å; Y428-M499 HydrophobicContact CG-CG 4.16Å; Y428-M499 HydrophobicContact CG-SD 4.48Å; Y428-D500 VanDerWaalsContact CD2-O 3.32Å; Y428-D500 WeakPolarHBondContact CD2-O 3.28Å
429P93Very high93.6Very high66 Ų6657.3 Ų57.343%0.42930%0.297SS..SBendcis-67.9145.15.733.3-41.4000113.4M499 D501P429-M499 CarbonylContact C-O 3.46Å; P429-M499 WeakPolarHBondContact CA-O 3.29Å; P429-D501 VanDerWaalsContact CD-OD1 3.24Å; P429-D501 WeakPolarHBondContact CD-OD1 3.47Å; P429-D501 WeakPolarHBondContact CG-OD1 3.46Å
430Q93.9Very high93.3Very high62 Ų6255.4 Ų55.429%0.2929%0.294SS..EExtended strand (participates in β ladder)trans-156.3130.6178.2-175.4176.346.400112.3Y422 S427 K432 M499Y422-Q430 HydrophobicContact CE1-CB 4.03Å; Y422-Q430 HydrophobicContact CE1-CG 4.21Å; Y422-Q430 PolarHBondContact OH-O 3.13Å; S427-Q430 WeakPolarHBondContact O-CB 3.29Å; S427-Q430 PolarHBondContact O-OE1 2.97Å; Q430-K432 HydrophobicContact CG-CG 4.29Å; Q430-M499 PolarHBondContact N-O 2.84Å; Q430-M499 PolarHBondContact O-N 3.4Å
431K96.4Very high93.1Very high165 Ų16557.3 Ų57.372%0.71730%0.297SS*.EExtended strand (participates in β ladder)trans-89.4139.4168.9-66.2-178.1-179.3-176.90110.7F497 N498K431-F497 WeakPolarHBondContact CA-O 3.24Å; K431-N498 HydrophobicContact CG-CB 4.18Å; K431-N498 VanDerWaalsContact CG-OD1 3.26Å; K431-N498 WeakPolarHBondContact CG-OD1 3.1Å
432K96.9Very high93Very high66 Ų6660.9 Ų60.929%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-138.9159174.3-73.8-167178.2-167.20110.9L421 Y422 Q430 F497L421-K432 HydrophobicContact CD1-CB 3.93Å; L421-K432 HydrophobicContact CD1-CD 4.49Å; L421-K432 WeakPolarHBondContact O-CD 3.41Å; L421-K432 VanDerWaalsContact O-CE 3.29Å; L421-K432 WeakPolarHBondContact O-CE 3.46Å; L421-K432 PolarHBondContact O-NZ 2.86Å; Y422-K432 HydrophobicContact CD1-CD 4.04Å; Y422-K432 HydrophobicContact CE1-CD 3.86Å; Y422-K432 HydrophobicContact CE1-CG 3.96Å; Q430-K432 HydrophobicContact CG-CG 4.29Å; K432-F497 PolarHBondContact N-O 2.71Å; K432-F497 PolarHBondContact O-N 3.25Å; K432-F497 VanDerWaalsContact O-O 3.09Å
433M95.4Very high93Very high93 Ų9362 Ų6246%0.45832%0.321SS..EExtended strand (participates in β ladder)trans-138.4146.7176.365.9-171.3-133.700110.3R494 A495M433-R494 HydrophobicContact CB-CG 3.99Å; M433-R494 HydrophobicContact CE-CG 4.31Å; M433-R494 HydrophobicContact CG-CG 4.33Å; M433-R494 VanDerWaalsContact SD-CD 3.54Å; M433-R494 HydrophobicContact SD-CG 4.21Å; M433-A495 CarbonylContact C-O 3.55Å; M433-A495 WeakPolarHBondContact CA-O 3.49Å; M433-A495 WeakPolarHBondContact CB-O 3.39Å
434I95.7Very high93.1Very high17 Ų1762.6 Ų62.69%0.08732%0.32CS..EExtended strand (participates in β ladder)trans-123.3131.6173.8-60.3-175.5000108.4V399 R419 L421 F436 R494 A495 F497V399-I434 HydrophobicContact CB-CD1 4.01Å; V399-I434 HydrophobicContact CG2-CD1 3.51Å; R419-I434 HydrophobicContact CB-CD1 4.3Å; L421-I434 HydrophobicContact CD1-CD1 3.91Å; L421-I434 HydrophobicContact CD1-CG1 4.1Å; I434-F436 HydrophobicContact CB-CE2 4.11Å; I434-F436 HydrophobicContact CB-CZ 4.08Å; I434-F436 HydrophobicContact CG2-CD2 4.5Å; I434-F436 HydrophobicContact CG2-CE1 3.96Å; I434-F436 HydrophobicContact CG2-CE2 3.89Å; I434-F436 HydrophobicContact CG2-CZ 3.57Å; I434-R494 WeakPolarHBondContact O-CA 3.16Å; I434-A495 PolarHBondContact N-O 2.64Å; I434-A495 PolarHBondContact O-N 3.41Å; I434-F497 HydrophobicContact CB-CE2 4.49Å; I434-F497 HydrophobicContact CG1-CE2 4.36Å
435T95.8Very high93.3Very high41 Ų4159.1 Ų59.125%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-100.4130.3175-39.60000111.1R419 N437 V493R419-T435 PolarHBondContact NH1-O 2.79Å; T435-N437 WeakPolarHBondContact CB-OD1 3.14Å; T435-N437 WeakPolarHBondContact CG2-OD1 3.41Å; T435-V493 CarbonylContact C-O 3.54Å; T435-V493 WeakPolarHBondContact CA-O 3.32Å
436F95Very high93.7Very high2 Ų259.4 Ų59.41%0.00930%0.301CS..EExtended strand (participates in β ladder)trans-108.793.1177.2-56-85.4000108V399 F401 I434 K438 H439 F443 L445 G492 V493 A495V399-F436 HydrophobicContact CG1-CZ 4.34Å; F401-F436 HydrophobicContact CB-CE1 4.44Å; F401-F436 AromaticContact CD1-CE1 3.71Å; F401-F436 HydrophobicContact CD1-CE1 3.71Å; F401-F436 AromaticContact CD2-CD1 3.93Å; F401-F436 HydrophobicContact CD2-CD1 3.93Å; F401-F436 AromaticContact CD2-CE1 3.88Å; F401-F436 HydrophobicContact CD2-CE1 3.88Å; F401-F436 AromaticContact CE1-CE1 3.82Å; F401-F436 HydrophobicContact CE1-CE1 3.82Å; F401-F436 AromaticContact CE2-CD1 3.88Å; F401-F436 HydrophobicContact CE2-CD1 3.88Å; F401-F436 AromaticContact CE2-CE1 3.97Å; F401-F436 HydrophobicContact CE2-CE1 3.97Å; F401-F436 HydrophobicContact CG-CD1 4.26Å; F401-F436 AromaticContact CG-CE1 3.74Å; F401-F436 HydrophobicContact CG-CE1 3.74Å; F401-F436 HydrophobicContact CZ-CD1 4.19Å; F401-F436 AromaticContact CZ-CE1 3.95Å; F401-F436 HydrophobicContact CZ-CE1 3.95Å; I434-F436 HydrophobicContact CB-CE2 4.11Å; I434-F436 HydrophobicContact CB-CZ 4.08Å; I434-F436 HydrophobicContact CG2-CD2 4.5Å; I434-F436 HydrophobicContact CG2-CE1 3.96Å; I434-F436 HydrophobicContact CG2-CE2 3.89Å; I434-F436 HydrophobicContact CG2-CZ 3.57Å; F436-K438 VanDerWaalsContact C-N 3.31Å; F436-H439 HydrophobicContact CB-CB 4.38Å; F436-F443 HydrophobicContact CB-CE2 4.18Å; F436-F443 HydrophobicContact CB-CZ 3.81Å; F436-F443 AromaticContact CD1-CE2 3.99Å; F436-F443 HydrophobicContact CD1-CE2 3.99Å; F436-F443 HydrophobicContact CD1-CZ 4.4Å; F436-F443 HydrophobicContact CD2-CE2 4.08Å; F436-F443 AromaticContact CD2-CZ 3.84Å; F436-F443 HydrophobicContact CD2-CZ 3.84Å; F436-F443 HydrophobicContact CE1-CE2 4.43Å; F436-F443 AromaticContact CG-CE2 3.81Å; F436-F443 HydrophobicContact CG-CE2 3.81Å; F436-F443 AromaticContact CG-CZ 3.76Å; F436-F443 HydrophobicContact CG-CZ 3.76Å; F436-L445 HydrophobicContact CD1-CD2 4.38Å; F436-L445 HydrophobicContact CE1-CD2 3.59Å; F436-L445 HydrophobicContact CE2-CD1 3.83Å; F436-L445 HydrophobicContact CE2-CD2 4.01Å; F436-L445 HydrophobicContact CZ-CD1 3.73Å; F436-L445 HydrophobicContact CZ-CD2 3.37Å; F436-L445 HydrophobicContact CZ-CG 4.23Å; F436-G492 CarbonylContact O-C 3.52Å; F436-G492 WeakPolarHBondContact O-CA 3.39Å; F436-V493 HydrophobicContact CB-CB 4.47Å; F436-V493 WeakPolarHBondContact CD2-O 3.38Å; F436-V493 PolarHBondContact N-O 2.83Å; F436-V493 PolarHBondContact O-N 3.12Å; F436-A495 HydrophobicContact CE2-CB 3.95Å
437N92.1Very high94.1Very high102 Ų10258.7 Ų58.755%0.54530%0.297SS..SBendtrans-83-11.4-171.1-55.80.4000113.4T435 M440 K491T435-N437 WeakPolarHBondContact CB-OD1 3.14Å; T435-N437 WeakPolarHBondContact CG2-OD1 3.41Å; N437-M440 WeakPolarHBondContact O-CE 3.36Å; N437-K491 PolarHBondContact OD1-O 3.11Å
438K90.8Very high94.4Very high158 Ų15856.9 Ų56.969%0.68728%0.283SS*.SBendtrans-95.2-51.2-177.7-65.7-170176.3-171.40109.8F436 M440F436-K438 VanDerWaalsContact C-N 3.31Å; K438-M440 WeakPolarHBondContact O-CE 3.34Å; K438-M440 WeakPolarHBondContact O-CG 3.46Å; K438-M440 PolarHBondContact O-N 2.92Å
439H91Very high94.6Very high13 Ų1356.8 Ų56.86%0.0628%0.282CS..  trans-49.8104.9-175.9-59.472.8000114.5F401 A402 E404 F436 F443F401-H439 AromaticContact CD2-CE1 3.67Å; F401-H439 AromaticContact CE2-CE1 3.96Å; A402-H439 PolarHBondContact O-CE1 3.42Å; A402-H439 PolarHBondContact O-NE2 2.74Å; E404-H439 WeakPolarHBondContact OE2-CA 3.45Å; E404-H439 PolarHBondContact OE2-N 3.25Å; E404-H439 VanDerWaalsContact OE2-N 3.12Å; F436-H439 HydrophobicContact CB-CB 4.38Å; H439-F443 HydrophobicContact CB-CD1 3.77Å; H439-F443 HydrophobicContact CB-CD2 4.37Å; H439-F443 HydrophobicContact CB-CE1 3.63Å; H439-F443 HydrophobicContact CB-CE2 4.21Å; H439-F443 HydrophobicContact CB-CG 4.14Å; H439-F443 HydrophobicContact CB-CZ 3.86Å; H439-F443 AromaticContact CD2-CD2 3.34Å; H439-F443 WeakPolarHBondContact CD2-CD2 3.34Å; H439-F443 AromaticContact CD2-CE2 3.75Å; H439-F443 AromaticContact CD2-CG 3.47Å; H439-F443 VanDerWaalsContact CD2-CG 3.47Å; H439-F443 WeakPolarHBondContact CD2-CG 3.26Å; H439-F443 AromaticContact CG-CD2 3.86Å; H439-F443 AromaticContact CG-CE2 3.81Å; H439-F443 AromaticContact CG-CZ 3.96Å; H439-F443 AromaticContact NE2-CD2 3.83Å
440M89.4Confident94.7Very high67 Ų6754.1 Ų54.133%0.3327%0.267SS..  trans-98.8-12.5177.6-55.5-58.7156.300112.8E404 N437 K438 A477 L480 F490E404-M440 PolarHBondContact OE1-N 2.85Å; E404-M440 PolarHBondContact OE2-N 2.85Å; N437-M440 WeakPolarHBondContact O-CE 3.36Å; K438-M440 WeakPolarHBondContact O-CE 3.34Å; K438-M440 WeakPolarHBondContact O-CG 3.46Å; K438-M440 PolarHBondContact O-N 2.92Å; M440-A477 WeakPolarHBondContact O-CA 3.22Å; M440-A477 PolarHBondContact O-N 2.91Å; M440-L480 HydrophobicContact CB-CD2 3.9Å; M440-L480 HydrophobicContact CG-CD2 4.19Å; M440-L480 HydrophobicContact SD-CD2 3.43Å; M440-L480 WeakPolarHBondContact SD-CD2 3.31Å; M440-F490 HydrophobicContact CE-CD1 3.64Å; M440-F490 HydrophobicContact CE-CE1 3.77Å; M440-F490 HydrophobicContact SD-CD1 3.45Å; M440-F490 WeakPolarHBondContact SD-CD1 3.45Å; M440-F490 HydrophobicContact SD-CE1 3.45Å; M440-F490 WeakPolarHBondContact SD-CE1 3.43Å
441H92.4Very high94.6Very high121 Ų12155.6 Ų55.656%0.5628%0.277SS*.SBendtrans-117.3168.6179.7-56.383.3000111E404 F443E404-H441 IonicContact OE1-ND1 2.78Å; E404-H441 PolarHBondContact OE1-ND1 3.28Å; H441-F443 WeakPolarHBondContact O-CD1 3.36Å
442D94.1Very high94.5Very high77 Ų7748.8 Ų48.841%0.41225%0.248SC..  trans-59.5137.7173.8-65.64.2000110L473 F474 K475 V476D442-L473 VanDerWaalsContact CA-O 3.28Å; D442-L473 WeakPolarHBondContact CA-O 3.39Å; D442-L473 WeakPolarHBondContact CB-O 3.16Å; D442-F474 HydrophobicContact CB-CD1 4.4Å; D442-F474 VanDerWaalsContact CG-CA 3.48Å; D442-F474 WeakPolarHBondContact OD2-CA 3.44Å; D442-K475 VanDerWaalsContact CG-N 3.32Å; D442-K475 PolarHBondContact OD1-N 2.86Å; D442-K475 PolarHBondContact OD2-N 2.99Å; D442-K475 VanDerWaalsContact OD2-N 3.13Å; D442-V476 PolarHBondContact OD1-N 2.83Å
443F95.2Very high94.2Very high25 Ų2551.2 Ų51.211%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-154.5162.6-172.470.5-72000111.5F436 H439 H441 L445 L473 V476 V493F436-F443 HydrophobicContact CB-CE2 4.18Å; F436-F443 HydrophobicContact CB-CZ 3.81Å; F436-F443 AromaticContact CD1-CE2 3.99Å; F436-F443 HydrophobicContact CD1-CE2 3.99Å; F436-F443 HydrophobicContact CD1-CZ 4.4Å; F436-F443 HydrophobicContact CD2-CE2 4.08Å; F436-F443 AromaticContact CD2-CZ 3.84Å; F436-F443 HydrophobicContact CD2-CZ 3.84Å; F436-F443 HydrophobicContact CE1-CE2 4.43Å; F436-F443 AromaticContact CG-CE2 3.81Å; F436-F443 HydrophobicContact CG-CE2 3.81Å; F436-F443 AromaticContact CG-CZ 3.76Å; F436-F443 HydrophobicContact CG-CZ 3.76Å; H439-F443 HydrophobicContact CB-CD1 3.77Å; H439-F443 HydrophobicContact CB-CD2 4.37Å; H439-F443 HydrophobicContact CB-CE1 3.63Å; H439-F443 HydrophobicContact CB-CE2 4.21Å; H439-F443 HydrophobicContact CB-CG 4.14Å; H439-F443 HydrophobicContact CB-CZ 3.86Å; H439-F443 AromaticContact CD2-CD2 3.34Å; H439-F443 WeakPolarHBondContact CD2-CD2 3.34Å; H439-F443 AromaticContact CD2-CE2 3.75Å; H439-F443 AromaticContact CD2-CG 3.47Å; H439-F443 VanDerWaalsContact CD2-CG 3.47Å; H439-F443 WeakPolarHBondContact CD2-CG 3.26Å; H439-F443 AromaticContact CG-CD2 3.86Å; H439-F443 AromaticContact CG-CE2 3.81Å; H439-F443 AromaticContact CG-CZ 3.96Å; H439-F443 AromaticContact NE2-CD2 3.83Å; H441-F443 WeakPolarHBondContact O-CD1 3.36Å; F443-L445 HydrophobicContact CD2-CD2 4.04Å; F443-L445 HydrophobicContact CE2-CD2 3.63Å; F443-L445 HydrophobicContact CE2-CG 4.38Å; F443-L473 HydrophobicContact CD1-CB 4.21Å; F443-L473 HydrophobicContact CD1-CD1 4.17Å; F443-L473 HydrophobicContact CD2-CD1 4.12Å; F443-L473 HydrophobicContact CE1-CB 4.15Å; F443-L473 HydrophobicContact CE1-CD1 3.64Å; F443-L473 HydrophobicContact CE2-CD1 3.61Å; F443-L473 HydrophobicContact CG-CD1 4.41Å; F443-L473 HydrophobicContact CZ-CD1 3.33Å; F443-L473 PolarHBondContact N-O 3.34Å; F443-L473 VanDerWaalsContact N-O 3.13Å; F443-L473 WeakPolarHBondContact O-CB 3.42Å; F443-L473 PolarHBondContact O-N 3.45Å; F443-V476 HydrophobicContact CD1-CG2 4.31Å; F443-V476 HydrophobicContact CE1-CG2 4.25Å; F443-V493 HydrophobicContact CE1-CB 4.13Å; F443-V493 HydrophobicContact CE1-CG1 4.13Å; F443-V493 HydrophobicContact CE1-CG2 4.12Å; F443-V493 HydrophobicContact CZ-CB 4.18Å; F443-V493 HydrophobicContact CZ-CG1 4.14Å
444D95.6Very high93.9Very high67 Ų6749 Ų4936%0.35825%0.252SS..EExtended strand (participates in β ladder)trans-112.3157.8178.869.3-66.1000113V471 D472D444-V471 CarbonylContact C-O 3.47Å; D444-V471 VanDerWaalsContact CA-O 3.25Å; D444-V471 WeakPolarHBondContact CA-O 3.25Å; D444-D472 WeakPolarHBondContact CB-OD1 3.46Å
445L96.4Very high93.7Very high0 Ų048.3 Ų48.30%025%0.249CC..EExtended strand (participates in β ladder)trans-126.1141.6172.4-49.7175.7000109.1V399 Y400 F401 F436 F443 R470 V471 L473 A495 F497V399-L445 HydrophobicContact CG1-CB 3.89Å; V399-L445 HydrophobicContact CG1-CD1 4.12Å; V399-L445 HydrophobicContact CG1-CD2 4.05Å; V399-L445 HydrophobicContact CG1-CG 4.27Å; Y400-L445 CarbonylContact O-C 3.46Å; Y400-L445 WeakPolarHBondContact O-CA 3.34Å; F401-L445 HydrophobicContact CB-CD2 3.56Å; F401-L445 HydrophobicContact CG-CD2 4.21Å; F436-L445 HydrophobicContact CD1-CD2 4.38Å; F436-L445 HydrophobicContact CE1-CD2 3.59Å; F436-L445 HydrophobicContact CE2-CD1 3.83Å; F436-L445 HydrophobicContact CE2-CD2 4.01Å; F436-L445 HydrophobicContact CZ-CD1 3.73Å; F436-L445 HydrophobicContact CZ-CD2 3.37Å; F436-L445 HydrophobicContact CZ-CG 4.23Å; F443-L445 HydrophobicContact CD2-CD2 4.04Å; F443-L445 HydrophobicContact CE2-CD2 3.63Å; F443-L445 HydrophobicContact CE2-CG 4.38Å; L445-R470 CarbonylContact O-C 3.14Å; L445-R470 WeakPolarHBondContact O-CA 3.47Å; L445-V471 HydrophobicContact CB-CB 4.21Å; L445-V471 PolarHBondContact N-O 3.4Å; L445-V471 PolarHBondContact O-N 2.93Å; L445-L473 HydrophobicContact CD1-CD1 3.82Å; L445-L473 HydrophobicContact CD2-CD1 4.4Å; L445-L473 HydrophobicContact CG-CD1 3.84Å; L445-A495 HydrophobicContact CD1-CB 4.1Å; L445-F497 HydrophobicContact CD1-CZ 4.05Å
446A96.6Very high93.5Very high28 Ų2849.4 Ų49.423%0.23125%0.254CS..EExtended strand (participates in β ladder)trans-110.7121.3167.200000110.5V399 Y400V399-A446 WeakPolarHBondContact CA-O 3.04Å; Y400-A446 PolarHBondContact N-O 3.42Å; Y400-A446 PolarHBondContact O-N 2.94Å
447L97.5Very high93.2Very high1 Ų155.6 Ų55.61%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-86.5116.4171.2-51.4-175.5000108.1E398 V399 I468 T469 V471 F497 L505 V507E398-L447 WeakPolarHBondContact O-CA 3.43Å; V399-L447 HydrophobicContact CB-CD2 4.28Å; V399-L447 HydrophobicContact CG1-CD2 4.12Å; V399-L447 HydrophobicContact CG2-CD2 3.6Å; L447-I468 WeakPolarHBondContact O-CA 3.27Å; L447-I468 VanDerWaalsContact O-CB 3.26Å; L447-I468 WeakPolarHBondContact O-CB 3.08Å; L447-I468 PolarHBondContact O-N 3.33Å; L447-T469 WeakPolarHBondContact CB-O 3.25Å; L447-T469 PolarHBondContact N-O 2.94Å; L447-T469 PolarHBondContact O-N 2.89Å; L447-T469 VanDerWaalsContact O-N 3.14Å; L447-V471 HydrophobicContact CD1-CG2 4.08Å; L447-V471 HydrophobicContact CG-CG2 4.12Å; L447-F497 HydrophobicContact CD1-CD1 4.03Å; L447-F497 HydrophobicContact CD1-CE1 3.87Å; L447-F497 HydrophobicContact CD2-CD1 4.32Å; L447-F497 HydrophobicContact CD2-CE1 3.67Å; L447-F497 HydrophobicContact CD2-CZ 4.1Å; L447-F497 HydrophobicContact CG-CE1 4.37Å; L447-L505 HydrophobicContact CB-CD2 4.15Å; L447-L505 HydrophobicContact CD1-CD2 3.62Å; L447-L505 HydrophobicContact CD1-CG 4.34Å; L447-L505 HydrophobicContact CG-CD2 4.45Å; L447-V507 HydrophobicContact CD1-CG2 3.9Å
448N97.5Very high93.1Very high12 Ų1254.8 Ų54.86%0.06428%0.275CS..EExtended strand (participates in β ladder)trans-128155.4-175.7-60.5-42.1000110.1I397 E398 Y400 A466 N467I397-N448 CarbonylContact C-O 3.59Å; I397-N448 WeakPolarHBondContact CA-O 3.37Å; E398-N448 PolarHBondContact N-O 2.84Å; E398-N448 PolarHBondContact O-N 3.49Å; Y400-N448 HydrophobicContact CD1-CB 4.13Å; Y400-N448 VanDerWaalsContact CD1-ND2 3.33Å; Y400-N448 WeakPolarHBondContact CD1-ND2 3.31Å; Y400-N448 HydrophobicContact CE1-CB 4.04Å; N448-A466 CarbonylContact C-O 3.55Å; N448-A466 WeakPolarHBondContact CA-O 3.48Å; N448-N467 VanDerWaalsContact OD1-CA 3.28Å; N448-N467 WeakPolarHBondContact OD1-CA 3.23Å; N448-N467 PolarHBondContact OD1-OD1 3.35Å; N448-N467 VanDerWaalsContact OD1-OD1 3.13Å
449Y96.9Very high93.2Very high9 Ų947.7 Ų47.74%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-64.5134.6161.7-66-70.2000109.4N147 Q148 Y395 P396 I397 F463 A466 I468N147-Y449 WeakPolarHBondContact CB-OH 3.27Å; Q148-Y449 WeakPolarHBondContact CB-OH 3.15Å; Q148-Y449 HydrophobicContact CG-CE1 4.32Å; Q148-Y449 WeakPolarHBondContact CG-OH 3.46Å; Q148-Y449 PolarHBondContact N-OH 3.01Å; Y395-Y449 HydrophobicContact CD2-CE1 4.48Å; Y395-Y449 HydrophobicContact CG-CD1 4.5Å; Y395-Y449 HydrophobicContact CG-CE1 4.29Å; P396-Y449 CarbonylContact O-C 3.59Å; P396-Y449 VanDerWaalsContact O-CA 3.29Å; P396-Y449 WeakPolarHBondContact O-CA 3.21Å; I397-Y449 HydrophobicContact CG1-CD1 4.49Å; Y449-F463 HydrophobicContact CD1-CE1 4.36Å; Y449-F463 AromaticContact CD1-CZ 3.88Å; Y449-F463 HydrophobicContact CD1-CZ 3.88Å; Y449-F463 AromaticContact CD2-CE1 3.37Å; Y449-F463 HydrophobicContact CD2-CE1 3.37Å; Y449-F463 AromaticContact CD2-CZ 3.67Å; Y449-F463 HydrophobicContact CD2-CZ 3.67Å; Y449-F463 HydrophobicContact CE1-CE1 4.48Å; Y449-F463 AromaticContact CE1-CZ 3.78Å; Y449-F463 HydrophobicContact CE1-CZ 3.78Å; Y449-F463 AromaticContact CE2-CE1 3.49Å; Y449-F463 HydrophobicContact CE2-CE1 3.49Å; Y449-F463 VanDerWaalsContact CE2-CE1 3.49Å; Y449-F463 AromaticContact CE2-CZ 3.54Å; Y449-F463 HydrophobicContact CE2-CZ 3.54Å; Y449-F463 AromaticContact CG-CE1 3.8Å; Y449-F463 HydrophobicContact CG-CE1 3.8Å; Y449-F463 AromaticContact CG-CZ 3.81Å; Y449-F463 HydrophobicContact CG-CZ 3.81Å; Y449-F463 AromaticContact CZ-CZ 3.58Å; Y449-A466 WeakPolarHBondContact CD2-O 3.25Å; Y449-A466 PolarHBondContact N-O 3.32Å; Y449-I468 HydrophobicContact CD1-CD1 3.83Å; Y449-I468 HydrophobicContact CD1-CG1 4.46Å; Y449-I468 HydrophobicContact CD2-CD1 3.96Å; Y449-I468 HydrophobicContact CD2-CG1 3.68Å; Y449-I468 HydrophobicContact CE1-CD1 3.71Å; Y449-I468 HydrophobicContact CE1-CG1 4.3Å; Y449-I468 HydrophobicContact CE2-CD1 3.89Å; Y449-I468 HydrophobicContact CE2-CG1 3.51Å; Y449-I468 HydrophobicContact CG-CD1 3.97Å; Y449-I468 HydrophobicContact CG-CG1 4.19Å
450G94.6Very high93.3Very high10 Ų1052.1 Ų52.110%0.10326%0.261CS..  trans-76.1-153.6171.900000111.7P396 L452P396-G450 PolarHBondContact O-N 2.94Å; G450-L452 PolarHBondContact O-N 3.32Å
451D91.7Very high93.4Very high94 Ų9453.9 Ų53.950%0.50327%0.268SS..  trans-62.5122.6-178.5-172.43.6000113.3P396 N453P396-D451 WeakPolarHBondContact CG-O 3.13Å; D451-N453 WeakPolarHBondContact OD1-CB 3.36Å; D451-N453 PolarHBondContact OD1-N 3.33Å; D451-N453 PolarHBondContact OD1-ND2 2.94Å; D451-N453 PolarHBondContact OD1-OD1 2.81Å; D451-N453 PolarHBondContact OD2-ND2 2.78Å
452L93.3Very high93.4Very high22 Ų2248.2 Ų48.212%0.11524%0.242CC..  trans-104.423177.4-58.8-177.7000112.8Y395 G450 H454 L455 R460 F463Y395-L452 HydrophobicContact CD1-CD2 3.98Å; G450-L452 PolarHBondContact O-N 3.32Å; L452-H454 PolarHBondContact O-N 2.9Å; L452-H454 VanDerWaalsContact O-N 3.12Å; L452-L455 HydrophobicContact CB-CD1 4.16Å; L452-L455 HydrophobicContact CB-CG 4.45Å; L452-L455 HydrophobicContact CD1-CD1 4.35Å; L452-L455 WeakPolarHBondContact O-CB 3.46Å; L452-L455 PolarHBondContact O-N 3.43Å; L452-R460 HydrophobicContact CB-CG 4.47Å; L452-F463 HydrophobicContact CD1-CD1 3.76Å; L452-F463 HydrophobicContact CD1-CE1 3.66Å; L452-F463 HydrophobicContact CD1-CE2 4.49Å; L452-F463 HydrophobicContact CD1-CG 4.21Å; L452-F463 HydrophobicContact CD1-CZ 4.04Å
453N91.1Very high93.4Very high116 Ų11644.8 Ų44.862%0.6222%0.224SC*.THydrogen-bonded Turntrans-61.4-17.6-179.4-80-27.3000114.9D451 L455D451-N453 WeakPolarHBondContact OD1-CB 3.36Å; D451-N453 PolarHBondContact OD1-N 3.33Å; D451-N453 PolarHBondContact OD1-ND2 2.94Å; D451-N453 PolarHBondContact OD1-OD1 2.81Å; D451-N453 PolarHBondContact OD2-ND2 2.78Å; N453-L455 PolarHBondContact O-N 2.75Å
454H89.1Confident93.2Very high46 Ų4645.5 Ų45.521%0.21324%0.238CC..THydrogen-bonded Turntrans-72.4-17.3171.864.3-87.1000112.8F394 L452F394-H454 AromaticContact CE2-CD2 3.66Å; F394-H454 AromaticContact CE2-NE2 3.74Å; F394-H454 AromaticContact CZ-CD2 3.74Å; F394-H454 AromaticContact CZ-NE2 3.69Å; F394-H454 PolarHBondContact O-CE1 2.68Å; F394-H454 PolarHBondContact O-NE2 3.36Å; L452-H454 PolarHBondContact O-N 2.9Å; L452-H454 VanDerWaalsContact O-N 3.12Å
455L92Very high93Very high3 Ų344 Ų442%0.01623%0.232CC..SBendtrans-87144.2171.1-56.8-176.7000110.2Y220 F394 Y395 L452 N453 Q459 R460 F463Y220-L455 HydrophobicContact CE1-CD2 3.99Å; F394-L455 HydrophobicContact CE1-CD2 3.95Å; F394-L455 HydrophobicContact CZ-CD2 3.66Å; Y395-L455 HydrophobicContact CE1-CD1 4.08Å; Y395-L455 HydrophobicContact CE1-CD2 4.44Å; L452-L455 HydrophobicContact CB-CD1 4.16Å; L452-L455 HydrophobicContact CB-CG 4.45Å; L452-L455 HydrophobicContact CD1-CD1 4.35Å; L452-L455 WeakPolarHBondContact O-CB 3.46Å; L452-L455 PolarHBondContact O-N 3.43Å; N453-L455 PolarHBondContact O-N 2.75Å; L455-Q459 HydrophobicContact CB-CB 3.91Å; L455-Q459 HydrophobicContact CD2-CB 4.43Å; L455-R460 HydrophobicContact CB-CG 3.84Å; L455-R460 HydrophobicContact CD1-CG 4.43Å; L455-R460 PolarHBondContact O-NH1 3.26Å; L455-F463 HydrophobicContact CD1-CD2 4.3Å
456N90.5Very high92.8Very high65 Ų6546.4 Ų46.435%0.34825%0.253SS..  trans-73.7170.7169.768.543.7000111.8H458 Q459 R460N456-H458 VanDerWaalsContact C-N 3.3Å; N456-H458 PolarHBondContact O-N 3.04Å; N456-H458 WeakPolarHBondContact OD1-CB 3.3Å; N456-H458 PolarHBondContact OD1-N 2.76Å; N456-H458 VanDerWaalsContact OD1-N 3.13Å; N456-Q459 PolarHBondContact ND2-OE1 3.26Å; N456-Q459 PolarHBondContact O-N 2.83Å; N456-Q459 WeakPolarHBondContact OD1-CB 3.37Å; N456-Q459 WeakPolarHBondContact OD1-CG 3.4Å; N456-Q459 PolarHBondContact OD1-N 2.64Å; N456-R460 WeakPolarHBondContact O-CG 3.31Å; N456-R460 PolarHBondContact O-N 3.39Å
457Q90.5Very high92.7Very high131 Ų13148.8 Ų48.861%0.61226%0.262SS*.Hα-helixtrans-56.4-42.8-177.2-178.9176.5-0.100112.8R460 Q461Q457-R460 PolarHBondContact O-N 3.13Å; Q457-Q461 WeakPolarHBondContact O-CG 3.45Å; Q457-Q461 PolarHBondContact O-N 3.21Å
458H88.8Confident92.6Very high85 Ų8548.8 Ų48.839%0.39426%0.261SS..Hα-helixtrans-67.4-41.7-178.2-174.7-132.2000112.6Y223 N456 Q461 S462Y223-H458 AromaticContact CD2-CE1 2.99Å; Y223-H458 WeakPolarHBondContact CD2-CE1 3.47Å; Y223-H458 AromaticContact CD2-ND1 3.56Å; Y223-H458 AromaticContact CD2-NE2 3.96Å; Y223-H458 AromaticContact CE2-CE1 2.89Å; Y223-H458 WeakPolarHBondContact CE2-CE1 3.36Å; Y223-H458 AromaticContact CE2-ND1 3.46Å; Y223-H458 WeakPolarHBondContact CE2-ND1 3.39Å; Y223-H458 AromaticContact CE2-NE2 3.48Å; Y223-H458 WeakPolarHBondContact CE2-NE2 3.43Å; Y223-H458 AromaticContact CG-CE1 3.9Å; Y223-H458 AromaticContact CZ-CE1 3.75Å; Y223-H458 AromaticContact CZ-NE2 3.94Å; N456-H458 VanDerWaalsContact C-N 3.3Å; N456-H458 PolarHBondContact O-N 3.04Å; N456-H458 WeakPolarHBondContact OD1-CB 3.3Å; N456-H458 PolarHBondContact OD1-N 2.76Å; N456-H458 VanDerWaalsContact OD1-N 3.13Å; H458-Q461 PolarHBondContact O-N 3.45Å; H458-S462 WeakPolarHBondContact O-CB 3.45Å; H458-S462 PolarHBondContact O-N 3.29Å; H458-S462 PolarHBondContact O-OG 2.91Å
459Q93.3Very high92.6Very high10 Ų1048.6 Ų48.65%0.04726%0.261CS..Hα-helixtrans-60.9-43.6173.4-73.9166.6-22.100111Y220 L455 N456 S462 F463Y220-Q459 HydrophobicContact CE2-CG 4.03Å; Y220-Q459 PolarHBondContact O-NE2 3.43Å; L455-Q459 HydrophobicContact CB-CB 3.91Å; L455-Q459 HydrophobicContact CD2-CB 4.43Å; N456-Q459 PolarHBondContact ND2-OE1 3.26Å; N456-Q459 PolarHBondContact O-N 2.83Å; N456-Q459 WeakPolarHBondContact OD1-CB 3.37Å; N456-Q459 WeakPolarHBondContact OD1-CG 3.4Å; N456-Q459 PolarHBondContact OD1-N 2.64Å; Q459-S462 PolarHBondContact O-N 2.94Å; Q459-F463 WeakPolarHBondContact O-CB 3.43Å; Q459-F463 PolarHBondContact O-N 3.01Å
460R92.9Very high92.6Very high105 Ų10553.3 Ų53.340%0.39628%0.278SS..Hα-helixtrans-63.3-40.9176.9-70.2-170.2-63.2-107.76112.8L452 L455 N456 Q457 S462 F463L452-R460 HydrophobicContact CB-CG 4.47Å; L455-R460 HydrophobicContact CB-CG 3.84Å; L455-R460 HydrophobicContact CD1-CG 4.43Å; L455-R460 PolarHBondContact O-NH1 3.26Å; N456-R460 WeakPolarHBondContact O-CG 3.31Å; N456-R460 PolarHBondContact O-N 3.39Å; Q457-R460 PolarHBondContact O-N 3.13Å; R460-S462 VanDerWaalsContact C-N 3.3Å; R460-S462 PolarHBondContact O-N 3.31Å; R460-F463 VanDerWaalsContact O-CB 3.32Å; R460-F463 WeakPolarHBondContact O-CB 3.48Å; R460-F463 PolarHBondContact O-N 3.47Å
461Q91.4Very high92.7Very high104 Ų10452.9 Ų52.949%0.48627%0.274SS..Hα-helixtrans-64-37175.7-72.5170.6-19.900112.1P76 Q457 H458 F463P76-Q461 WeakPolarHBondContact CD-O 3.27Å; P76-Q461 HydrophobicContact CG-CB 4.32Å; Q457-Q461 WeakPolarHBondContact O-CG 3.45Å; Q457-Q461 PolarHBondContact O-N 3.21Å; H458-Q461 PolarHBondContact O-N 3.45Å; Q461-F463 VanDerWaalsContact C-N 3.31Å
462S93.3Very high93Very high2 Ų249.6 Ų49.61%0.01426%0.256CS..Hα-helixtrans-79.1-14.2179-53.50000113.5K71 N75 Y223 H458 Q459 R460K71-S462 PolarHBondContact NZ-O 2.95Å; N75-S462 PolarHBondContact ND2-O 3.41Å; Y223-S462 PolarHBondContact OH-OG 2.96Å; H458-S462 WeakPolarHBondContact O-CB 3.45Å; H458-S462 PolarHBondContact O-N 3.29Å; H458-S462 PolarHBondContact O-OG 2.91Å; Q459-S462 PolarHBondContact O-N 2.94Å; R460-S462 VanDerWaalsContact C-N 3.3Å; R460-S462 PolarHBondContact O-N 3.31Å
463F93.9Very high93.1Very high6 Ų648.6 Ų48.63%0.02625%0.251CS..Hα-helixtrans-68.6-44.2-172.9-175.2-102.4000112.3N147 Y395 Y449 L452 L455 Q459 R460 Q461N147-F463 HydrophobicContact CB-CD2 4.41Å; N147-F463 HydrophobicContact CB-CE2 3.72Å; N147-F463 HydrophobicContact CB-CZ 3.95Å; N147-F463 PolarHBondContact ND2-O 2.96Å; Y395-F463 AromaticContact CD1-CE2 3.64Å; Y395-F463 HydrophobicContact CD1-CE2 3.64Å; Y395-F463 HydrophobicContact CD1-CZ 4.13Å; Y395-F463 AromaticContact CD2-CE2 3.99Å; Y395-F463 HydrophobicContact CD2-CE2 3.99Å; Y395-F463 HydrophobicContact CD2-CZ 4.4Å; Y395-F463 HydrophobicContact CE1-CD2 4.07Å; Y395-F463 AromaticContact CE1-CE2 3.48Å; Y395-F463 HydrophobicContact CE1-CE2 3.48Å; Y395-F463 VanDerWaalsContact CE1-CE2 3.48Å; Y395-F463 HydrophobicContact CE1-CZ 4.4Å; Y395-F463 AromaticContact CE2-CE2 3.85Å; Y395-F463 HydrophobicContact CE2-CE2 3.85Å; Y395-F463 AromaticContact CG-CE2 3.88Å; Y395-F463 HydrophobicContact CG-CE2 3.88Å; Y395-F463 HydrophobicContact CG-CZ 4.12Å; Y395-F463 AromaticContact CZ-CE2 3.59Å; Y449-F463 HydrophobicContact CD1-CE1 4.36Å; Y449-F463 AromaticContact CD1-CZ 3.88Å; Y449-F463 HydrophobicContact CD1-CZ 3.88Å; Y449-F463 AromaticContact CD2-CE1 3.37Å; Y449-F463 HydrophobicContact CD2-CE1 3.37Å; Y449-F463 AromaticContact CD2-CZ 3.67Å; Y449-F463 HydrophobicContact CD2-CZ 3.67Å; Y449-F463 HydrophobicContact CE1-CE1 4.48Å; Y449-F463 AromaticContact CE1-CZ 3.78Å; Y449-F463 HydrophobicContact CE1-CZ 3.78Å; Y449-F463 AromaticContact CE2-CE1 3.49Å; Y449-F463 HydrophobicContact CE2-CE1 3.49Å; Y449-F463 VanDerWaalsContact CE2-CE1 3.49Å; Y449-F463 AromaticContact CE2-CZ 3.54Å; Y449-F463 HydrophobicContact CE2-CZ 3.54Å; Y449-F463 AromaticContact CG-CE1 3.8Å; Y449-F463 HydrophobicContact CG-CE1 3.8Å; Y449-F463 AromaticContact CG-CZ 3.81Å; Y449-F463 HydrophobicContact CG-CZ 3.81Å; Y449-F463 AromaticContact CZ-CZ 3.58Å; L452-F463 HydrophobicContact CD1-CD1 3.76Å; L452-F463 HydrophobicContact CD1-CE1 3.66Å; L452-F463 HydrophobicContact CD1-CE2 4.49Å; L452-F463 HydrophobicContact CD1-CG 4.21Å; L452-F463 HydrophobicContact CD1-CZ 4.04Å; L455-F463 HydrophobicContact CD1-CD2 4.3Å; Q459-F463 WeakPolarHBondContact O-CB 3.43Å; Q459-F463 PolarHBondContact O-N 3.01Å; R460-F463 VanDerWaalsContact O-CB 3.32Å; R460-F463 WeakPolarHBondContact O-CB 3.48Å; R460-F463 PolarHBondContact O-N 3.47Å; Q461-F463 VanDerWaalsContact C-N 3.31Å
464G89.9Confident93.4Very high40 Ų4046.4 Ų46.441%0.41224%0.236SC..  trans104.3-149.7-176.900000112.9
465S91.5Very high93.6Very high34 Ų3449.3 Ų49.324%0.23825%0.248CC..  trans-64.2138.9-177.8-179.90000112.1N467S465-N467 VanDerWaalsContact C-N 3.32Å; S465-N467 PolarHBondContact OG-N 3.02Å; S465-N467 PolarHBondContact OG-O 3.09Å
466A92.1Very high93.7Very high52 Ų5249.1 Ų49.143%0.4325%0.247SC..SBendtrans-77-20.916800000112.5N448 Y449N448-A466 CarbonylContact C-O 3.55Å; N448-A466 WeakPolarHBondContact CA-O 3.48Å; Y449-A466 WeakPolarHBondContact CD2-O 3.25Å; Y449-A466 PolarHBondContact N-O 3.32Å
467N94.2Very high93.7Very high78 Ų7848.1 Ų48.142%0.41725%0.248SC..EExtended strand (participates in β ladder)trans-91.4125.8-177.3-55.4-20.7000110N448 S465 M610 D611N448-N467 VanDerWaalsContact OD1-CA 3.28Å; N448-N467 WeakPolarHBondContact OD1-CA 3.23Å; N448-N467 PolarHBondContact OD1-OD1 3.35Å; N448-N467 VanDerWaalsContact OD1-OD1 3.13Å; S465-N467 VanDerWaalsContact C-N 3.32Å; S465-N467 PolarHBondContact OG-N 3.02Å; S465-N467 PolarHBondContact OG-O 3.09Å; N467-M610 HydrophobicContact CB-CB 3.86Å; N467-D611 WeakPolarHBondContact O-CA 3.45Å; N467-D611 VanDerWaalsContact O-CB 3.29Å; N467-D611 WeakPolarHBondContact O-CB 3.41Å; N467-D611 PolarHBondContact O-N 2.77Å; N467-D611 VanDerWaalsContact O-N 3.12Å
468I96.6Very high93.9Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-98.9-59.2-174.6-51171.7000110.2Q148 I397 L447 Y449 E609 M610Q148-I468 HydrophobicContact CB-CG2 4.02Å; Q148-I468 HydrophobicContact CG-CD1 4.35Å; Q148-I468 HydrophobicContact CG-CG2 4Å; I397-I468 HydrophobicContact CD1-CD1 4.4Å; I397-I468 HydrophobicContact CG1-CD1 4.06Å; I397-I468 HydrophobicContact CG2-CD1 4.2Å; L447-I468 WeakPolarHBondContact O-CA 3.27Å; L447-I468 VanDerWaalsContact O-CB 3.26Å; L447-I468 WeakPolarHBondContact O-CB 3.08Å; L447-I468 PolarHBondContact O-N 3.33Å; Y449-I468 HydrophobicContact CD1-CD1 3.83Å; Y449-I468 HydrophobicContact CD1-CG1 4.46Å; Y449-I468 HydrophobicContact CD2-CD1 3.96Å; Y449-I468 HydrophobicContact CD2-CG1 3.68Å; Y449-I468 HydrophobicContact CE1-CD1 3.71Å; Y449-I468 HydrophobicContact CE1-CG1 4.3Å; Y449-I468 HydrophobicContact CE2-CD1 3.89Å; Y449-I468 HydrophobicContact CE2-CG1 3.51Å; Y449-I468 HydrophobicContact CG-CD1 3.97Å; Y449-I468 HydrophobicContact CG-CG1 4.19Å; I468-E609 CarbonylContact O-C 3.48Å; I468-E609 WeakPolarHBondContact O-CA 3.21Å; I468-M610 PolarHBondContact O-N 2.66Å
469T96.6Very high94Very high8 Ų842.8 Ų42.85%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-151.5132.8-171.3-55.30000110.7L447 V471 H607 A608L447-T469 WeakPolarHBondContact CB-O 3.25Å; L447-T469 PolarHBondContact N-O 2.94Å; L447-T469 PolarHBondContact O-N 2.89Å; L447-T469 VanDerWaalsContact O-N 3.14Å; T469-V471 HydrophobicContact CG2-CG2 4.18Å; T469-H607 HydrophobicContact CG2-CB 3.88Å; T469-A608 CarbonylContact C-O 3.5Å; T469-A608 VanDerWaalsContact CA-O 3.31Å; T469-A608 WeakPolarHBondContact CA-O 3.46Å
470R96.8Very high93.9Very high108 Ų10843.8 Ų43.841%0.40823%0.23SC..EExtended strand (participates in β ladder)trans-88.8141.9164.3175.7-179.4169.6162.84109L445 D472 H607 A608 M610L445-R470 CarbonylContact O-C 3.14Å; L445-R470 WeakPolarHBondContact O-CA 3.47Å; R470-D472 IonicContact CZ-OD1 2.85Å; R470-D472 VanDerWaalsContact CZ-OD1 3.26Å; R470-D472 IonicContact CZ-OD2 2.93Å; R470-D472 IonicContact NE-OD1 2.77Å; R470-D472 PolarHBondContact NE-OD1 3.49Å; R470-D472 IonicContact NE-OD2 2.65Å; R470-D472 PolarHBondContact NE-OD2 2.92Å; R470-D472 VanDerWaalsContact NE-OD2 3.07Å; R470-D472 IonicContact NH2-OD1 3.27Å; R470-D472 PolarHBondContact NH2-OD1 2.89Å; R470-D472 IonicContact NH2-OD2 3.8Å; R470-H607 CarbonylContact O-C 3.6Å; R470-H607 WeakPolarHBondContact O-CA 3.49Å; R470-H607 VanDerWaalsContact O-CB 3.27Å; R470-H607 WeakPolarHBondContact O-CB 3.32Å; R470-A608 PolarHBondContact N-O 2.9Å; R470-A608 PolarHBondContact O-N 2.69Å; R470-M610 HydrophobicContact CB-CG 3.97Å; R470-M610 HydrophobicContact CB-SD 3.9Å
471V97.2Very high93.8Very high1 Ų146.7 Ų46.71%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-131.2116.7-179.9-171.30000108.7D444 L445 L447 T469 V507 V605 E606 H607D444-V471 CarbonylContact C-O 3.47Å; D444-V471 VanDerWaalsContact CA-O 3.25Å; D444-V471 WeakPolarHBondContact CA-O 3.25Å; L445-V471 HydrophobicContact CB-CB 4.21Å; L445-V471 PolarHBondContact N-O 3.4Å; L445-V471 PolarHBondContact O-N 2.93Å; L447-V471 HydrophobicContact CD1-CG2 4.08Å; L447-V471 HydrophobicContact CG-CG2 4.12Å; T469-V471 HydrophobicContact CG2-CG2 4.18Å; V471-V507 HydrophobicContact CG1-CG1 3.94Å; V471-V507 HydrophobicContact CG1-CG2 4.39Å; V471-V507 HydrophobicContact CG2-CG2 3.55Å; V471-V605 HydrophobicContact CG1-CG1 3.52Å; V471-E606 CarbonylContact C-O 3.47Å; V471-E606 WeakPolarHBondContact CA-O 3.5Å; V471-H607 HydrophobicContact CG2-CB 4.29Å
472D97.3Very high93.8Very high26 Ų2646.4 Ų46.414%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-101.4128.3178.4-60.5-80.9000109.3D444 R470 F474 V605 E606D444-D472 WeakPolarHBondContact CB-OD1 3.46Å; R470-D472 IonicContact CZ-OD1 2.85Å; R470-D472 VanDerWaalsContact CZ-OD1 3.26Å; R470-D472 IonicContact CZ-OD2 2.93Å; R470-D472 IonicContact NE-OD1 2.77Å; R470-D472 PolarHBondContact NE-OD1 3.49Å; R470-D472 IonicContact NE-OD2 2.65Å; R470-D472 PolarHBondContact NE-OD2 2.92Å; R470-D472 VanDerWaalsContact NE-OD2 3.07Å; R470-D472 IonicContact NH2-OD1 3.27Å; R470-D472 PolarHBondContact NH2-OD1 2.89Å; R470-D472 IonicContact NH2-OD2 3.8Å; D472-F474 HydrophobicContact CB-CD2 4.41Å; D472-F474 HydrophobicContact CB-CE2 3.55Å; D472-F474 HydrophobicContact CB-CZ 3.7Å; D472-V605 WeakPolarHBondContact O-CA 3.34Å; D472-E606 HydrophobicContact CB-CB 4.48Å; D472-E606 PolarHBondContact N-O 3.25Å; D472-E606 PolarHBondContact O-N 2.8Å
473L96.5Very high93.7Very high1 Ų147.4 Ų47.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-112.2114.6-175.9-62.4157.1000109.2D442 F443 L445 A510 V605D442-L473 VanDerWaalsContact CA-O 3.28Å; D442-L473 WeakPolarHBondContact CA-O 3.39Å; D442-L473 WeakPolarHBondContact CB-O 3.16Å; F443-L473 HydrophobicContact CD1-CB 4.21Å; F443-L473 HydrophobicContact CD1-CD1 4.17Å; F443-L473 HydrophobicContact CD2-CD1 4.12Å; F443-L473 HydrophobicContact CE1-CB 4.15Å; F443-L473 HydrophobicContact CE1-CD1 3.64Å; F443-L473 HydrophobicContact CE2-CD1 3.61Å; F443-L473 HydrophobicContact CG-CD1 4.41Å; F443-L473 HydrophobicContact CZ-CD1 3.33Å; F443-L473 PolarHBondContact N-O 3.34Å; F443-L473 VanDerWaalsContact N-O 3.13Å; F443-L473 WeakPolarHBondContact O-CB 3.42Å; F443-L473 PolarHBondContact O-N 3.45Å; L445-L473 HydrophobicContact CD1-CD1 3.82Å; L445-L473 HydrophobicContact CD2-CD1 4.4Å; L445-L473 HydrophobicContact CG-CD1 3.84Å; L473-A510 HydrophobicContact CD2-CB 3.29Å; L473-V605 HydrophobicContact CD2-CG1 4.4Å; L473-V605 HydrophobicContact CD2-CG2 3.96Å
474F96.5Very high93.2Very high69 Ų6951.5 Ų51.530%0.30328%0.281SS..EExtended strand (participates in β ladder)trans-112.7165.3-175.3-58.4-81.1000113.3D442 D472 V476 T604 E606D442-F474 HydrophobicContact CB-CD1 4.4Å; D442-F474 VanDerWaalsContact CG-CA 3.48Å; D442-F474 WeakPolarHBondContact OD2-CA 3.44Å; D472-F474 HydrophobicContact CB-CD2 4.41Å; D472-F474 HydrophobicContact CB-CE2 3.55Å; D472-F474 HydrophobicContact CB-CZ 3.7Å; F474-V476 PolarHBondContact O-N 2.83Å; F474-T604 HydrophobicContact CD2-CG2 4.44Å; F474-T604 PolarHBondContact N-O 2.83Å; F474-T604 PolarHBondContact O-N 2.82Å; F474-E606 HydrophobicContact CD2-CG 4.29Å; F474-E606 HydrophobicContact CE2-CB 4.05Å; F474-E606 HydrophobicContact CE2-CG 3.84Å
475K93.8Very high92.9Very high107 Ų10754.9 Ų54.947%0.46529%0.286SS..  trans63.824.8178.4-52.6-174.9-179.4-179.40114D442 E478 A479 T604D442-K475 VanDerWaalsContact CG-N 3.32Å; D442-K475 PolarHBondContact OD1-N 2.86Å; D442-K475 PolarHBondContact OD2-N 2.99Å; D442-K475 VanDerWaalsContact OD2-N 3.13Å; K475-E478 HydrophobicContact CB-CB 4.28Å; K475-A479 WeakPolarHBondContact O-CB 3.21Å; K475-A479 PolarHBondContact O-N 3.46Å; K475-T604 WeakPolarHBondContact CE-OG1 3.21Å
476V93.3Very high92.3Very high0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-65.7-53.6176.3-177.90000108.9D442 F443 F474 E478 A479 L480 V493 L603D442-V476 PolarHBondContact OD1-N 2.83Å; F443-V476 HydrophobicContact CD1-CG2 4.31Å; F443-V476 HydrophobicContact CE1-CG2 4.25Å; F474-V476 PolarHBondContact O-N 2.83Å; V476-E478 VanDerWaalsContact C-N 3.27Å; V476-E478 PolarHBondContact O-N 2.91Å; V476-A479 WeakPolarHBondContact O-CB 3.34Å; V476-A479 PolarHBondContact O-N 2.85Å; V476-A479 VanDerWaalsContact O-N 3.09Å; V476-L480 HydrophobicContact CG1-CD1 3.82Å; V476-L480 WeakPolarHBondContact O-CD1 3.29Å; V476-L480 PolarHBondContact O-N 3.08Å; V476-V493 HydrophobicContact CG1-CG2 3.66Å; V476-V493 HydrophobicContact CG2-CG2 4.06Å; V476-L603 HydrophobicContact CG2-CD1 4.01Å; V476-L603 HydrophobicContact CG2-CD2 4.41Å
477A92.1Very high91.9Very high44 Ų4462.6 Ų62.636%0.36432%0.323SS..Hα-helixtrans-60.4-36.7-179.700000112.7M440 L480 K481M440-A477 WeakPolarHBondContact O-CA 3.22Å; M440-A477 PolarHBondContact O-N 2.91Å; A477-L480 PolarHBondContact O-N 2.84Å; A477-K481 WeakPolarHBondContact O-CB 3.33Å; A477-K481 PolarHBondContact O-N 3.47Å
478E92.9Very high91.6Very high99 Ų9960 Ų6046%0.46331%0.31SS..Hα-helixtrans-64.8-45.7174.9-171.6-170.9162.100111.6K475 V476 L480 K481 N482K475-E478 HydrophobicContact CB-CB 4.28Å; V476-E478 VanDerWaalsContact C-N 3.27Å; V476-E478 PolarHBondContact O-N 2.91Å; E478-L480 VanDerWaalsContact C-N 3.27Å; E478-L480 PolarHBondContact O-N 3.19Å; E478-K481 PolarHBondContact O-N 3.36Å; E478-N482 WeakPolarHBondContact O-CB 3.32Å; E478-N482 VanDerWaalsContact O-CG 3.27Å; E478-N482 PolarHBondContact O-N 3.01Å
479A92.4Very high91.3Very high5 Ų563.5 Ų63.54%0.04133%0.331CS..Hα-helixtrans-59.5-40176.800000111.6K475 V476 N483 A512 F514 V601 L603K475-A479 WeakPolarHBondContact O-CB 3.21Å; K475-A479 PolarHBondContact O-N 3.46Å; V476-A479 WeakPolarHBondContact O-CB 3.34Å; V476-A479 PolarHBondContact O-N 2.85Å; V476-A479 VanDerWaalsContact O-N 3.09Å; A479-N483 WeakPolarHBondContact O-CB 3.43Å; A479-N483 PolarHBondContact O-N 2.76Å; A479-N483 PolarHBondContact O-ND2 3.13Å; A479-A512 HydrophobicContact CB-CB 4Å; A479-F514 HydrophobicContact CB-CE2 4.48Å; A479-F514 HydrophobicContact CB-CZ 4.36Å; A479-F514 VanDerWaalsContact O-CZ 3.32Å; A479-F514 WeakPolarHBondContact O-CZ 3.37Å; A479-V601 HydrophobicContact CB-CB 4.25Å; A479-V601 HydrophobicContact CB-CG1 3.81Å; A479-L603 HydrophobicContact CB-CD2 4.11Å
480L90.8Very high91.1Very high31 Ų3165 Ų6516%0.16234%0.337CS..Hα-helixtrans-63.3-50.5174.9-86.179.3000111.5M440 V476 A477 E478 N482 N483 S484 F490 F514M440-L480 HydrophobicContact CB-CD2 3.9Å; M440-L480 HydrophobicContact CG-CD2 4.19Å; M440-L480 HydrophobicContact SD-CD2 3.43Å; M440-L480 WeakPolarHBondContact SD-CD2 3.31Å; V476-L480 HydrophobicContact CG1-CD1 3.82Å; V476-L480 WeakPolarHBondContact O-CD1 3.29Å; V476-L480 PolarHBondContact O-N 3.08Å; A477-L480 PolarHBondContact O-N 2.84Å; E478-L480 VanDerWaalsContact C-N 3.27Å; E478-L480 PolarHBondContact O-N 3.19Å; L480-N482 VanDerWaalsContact C-N 3.31Å; L480-N482 PolarHBondContact O-N 3.02Å; L480-N483 CarbonylContact O-C 3.52Å; L480-N483 PolarHBondContact O-N 3.35Å; L480-N483 VanDerWaalsContact O-N 3.13Å; L480-S484 PolarHBondContact O-N 2.91Å; L480-S484 PolarHBondContact O-OG 2.85Å; L480-F490 HydrophobicContact CD1-CD2 4.2Å; L480-F490 HydrophobicContact CD1-CE1 4.26Å; L480-F490 HydrophobicContact CD1-CE2 3.85Å; L480-F490 HydrophobicContact CD1-CZ 3.86Å; L480-F490 HydrophobicContact CD2-CD1 4.3Å; L480-F490 HydrophobicContact CD2-CE1 4.44Å; L480-F490 HydrophobicContact CG-CD2 4.36Å; L480-F490 HydrophobicContact CG-CE2 4.49Å; L480-F490 HydrophobicContact CG-CG 4.37Å; L480-F514 HydrophobicContact CD1-CZ 4.38Å; L480-F514 HydrophobicContact CG-CE1 4.3Å; L480-F514 HydrophobicContact CG-CZ 4.37Å
481K91.7Very high91Very high165 Ų16564.2 Ų64.272%0.71734%0.337SS*.Hα-helixtrans-57.3-44.2179.1-174.9-178.2177.8-176.30111.9A477 E478 N483 S484A477-K481 WeakPolarHBondContact O-CB 3.33Å; A477-K481 PolarHBondContact O-N 3.47Å; E478-K481 PolarHBondContact O-N 3.36Å; K481-N483 PolarHBondContact O-N 3.31Å; K481-S484 PolarHBondContact O-OG 2.87Å
482N91.4Very high90.9Very high98 Ų9864.2 Ų64.252%0.52434%0.336SS..Hα-helixtrans-73.7-13.5-177.8-66.9-11.3000113.5E478 L480E478-N482 WeakPolarHBondContact O-CB 3.32Å; E478-N482 VanDerWaalsContact O-CG 3.27Å; E478-N482 PolarHBondContact O-N 3.01Å; L480-N482 VanDerWaalsContact C-N 3.31Å; L480-N482 PolarHBondContact O-N 3.02Å
483N89.4Confident90.9Very high23 Ų2363 Ų6312%0.12333%0.33CS..THydrogen-bonded Turntrans-12130.3-179.8-66.9-93.5000112.2A479 L480 K481 E485 T488 F514 V601A479-N483 WeakPolarHBondContact O-CB 3.43Å; A479-N483 PolarHBondContact O-N 2.76Å; A479-N483 PolarHBondContact O-ND2 3.13Å; L480-N483 CarbonylContact O-C 3.52Å; L480-N483 PolarHBondContact O-N 3.35Å; L480-N483 VanDerWaalsContact O-N 3.13Å; K481-N483 PolarHBondContact O-N 3.31Å; N483-E485 PolarHBondContact O-N 2.69Å; N483-T488 WeakPolarHBondContact O-CB 3.37Å; N483-T488 VanDerWaalsContact O-CG2 3.25Å; N483-T488 WeakPolarHBondContact O-CG2 3.37Å; N483-F514 HydrophobicContact CB-CD1 3.78Å; N483-F514 HydrophobicContact CB-CD2 4.06Å; N483-F514 HydrophobicContact CB-CE1 3.73Å; N483-F514 HydrophobicContact CB-CE2 4.03Å; N483-F514 HydrophobicContact CB-CG 3.96Å; N483-F514 HydrophobicContact CB-CZ 3.88Å; N483-V601 WeakPolarHBondContact ND2-CG2 3.37Å
484S83.9Confident90.9Very high92 Ų9265.3 Ų65.364%0.64334%0.339SS*.  trans-84.919.1179.2-61.80000113.9L480 K481L480-S484 PolarHBondContact O-N 2.91Å; L480-S484 PolarHBondContact O-OG 2.85Å; K481-S484 PolarHBondContact O-OG 2.87Å
485E83.2Confident90.9Very high111 Ų11162.1 Ų62.152%0.51933%0.325SS..  trans-61.5145177.7-70.3169.6-132.900111.5N483 G487 T488 K516N483-E485 PolarHBondContact O-N 2.69Å; E485-G487 PolarHBondContact O-N 3.36Å; E485-T488 WeakPolarHBondContact O-CB 3.39Å; E485-T488 PolarHBondContact O-N 3.4Å; E485-T488 PolarHBondContact O-OG1 3.08Å; E485-K516 IonicContact OE1-NZ 2.64Å; E485-K516 PolarHBondContact OE1-NZ 2.93Å; E485-K516 WeakPolarHBondContact OE2-CE 3.47Å; E485-K516 IonicContact OE2-NZ 3.78Å; E485-K516 PolarHBondContact OE2-NZ 3.15Å
486E79.8Confident91.1Very high200 Ų20059.2 Ų59.294%0.93531%0.313SS*.THydrogen-bonded Turntrans-54.6130.2-177.5-165.1172.3-174.400112T488E486-T488 VanDerWaalsContact C-N 3.31Å; E486-T488 PolarHBondContact O-N 3.43Å
487G82.9Confident91.3Very high48 Ų4859.3 Ų59.350%0.49531%0.313SS..THydrogen-bonded Turntrans84.4-10.5-174.800000115.4E485 V489 P517E485-G487 PolarHBondContact O-N 3.36Å; G487-V489 PolarHBondContact O-N 3.29Å; G487-P517 WeakPolarHBondContact O-CD 3.36Å
488T87.7Confident91.5Very high25 Ų2558.8 Ų58.815%0.15330%0.304CS..  trans-74.6124.8175.9-500000110.9N483 E485 E486 F514 H515 K516N483-T488 WeakPolarHBondContact O-CB 3.37Å; N483-T488 VanDerWaalsContact O-CG2 3.25Å; N483-T488 WeakPolarHBondContact O-CG2 3.37Å; E485-T488 WeakPolarHBondContact O-CB 3.39Å; E485-T488 PolarHBondContact O-N 3.4Å; E485-T488 PolarHBondContact O-OG1 3.08Å; E486-T488 VanDerWaalsContact C-N 3.31Å; E486-T488 PolarHBondContact O-N 3.43Å; T488-F514 HydrophobicContact CG2-CB 3.67Å; T488-F514 HydrophobicContact CG2-CD1 4.06Å; T488-F514 HydrophobicContact CG2-CG 4.23Å; T488-H515 CarbonylContact C-O 3.27Å; T488-H515 WeakPolarHBondContact CA-O 3.12Å; T488-K516 HydrophobicContact CG2-CG 3.83Å; T488-K516 VanDerWaalsContact OG1-CE 3.27Å; T488-K516 WeakPolarHBondContact OG1-CE 3.4Å; T488-K516 WeakPolarHBondContact OG1-CG 3.2Å
489V91.2Very high91.7Very high73 Ų7354.1 Ų54.144%0.44228%0.282SS..EExtended strand (participates in β ladder)trans-112.3118.4-179.6-1790000110.3G487 K491 F514 H515G487-V489 PolarHBondContact O-N 3.29Å; V489-K491 HydrophobicContact CG1-CD 4.32Å; V489-F514 CarbonylContact O-C 2.8Å; V489-F514 WeakPolarHBondContact O-CA 3.19Å; V489-H515 PolarHBondContact N-O 2.69Å; V489-H515 PolarHBondContact O-N 3.07Å
490F92.8Very high91.8Very high40 Ų4056.3 Ų56.318%0.17529%0.294CS..EExtended strand (participates in β ladder)trans-65.5132.1170.7-178.7-120.6000110.9M440 L480 V493 A512 I513 F514M440-F490 HydrophobicContact CE-CD1 3.64Å; M440-F490 HydrophobicContact CE-CE1 3.77Å; M440-F490 HydrophobicContact SD-CD1 3.45Å; M440-F490 WeakPolarHBondContact SD-CD1 3.45Å; M440-F490 HydrophobicContact SD-CE1 3.45Å; M440-F490 WeakPolarHBondContact SD-CE1 3.43Å; L480-F490 HydrophobicContact CD1-CD2 4.2Å; L480-F490 HydrophobicContact CD1-CE1 4.26Å; L480-F490 HydrophobicContact CD1-CE2 3.85Å; L480-F490 HydrophobicContact CD1-CZ 3.86Å; L480-F490 HydrophobicContact CD2-CD1 4.3Å; L480-F490 HydrophobicContact CD2-CE1 4.44Å; L480-F490 HydrophobicContact CG-CD2 4.36Å; L480-F490 HydrophobicContact CG-CE2 4.49Å; L480-F490 HydrophobicContact CG-CG 4.37Å; F490-V493 HydrophobicContact CZ-CG2 4.04Å; F490-A512 HydrophobicContact CE2-CB 4Å; F490-I513 WeakPolarHBondContact CD2-O 3.45Å; F490-F514 HydrophobicContact CB-CD1 3.98Å; F490-F514 HydrophobicContact CB-CE1 3.96Å; F490-F514 AromaticContact CD2-CD1 3.87Å; F490-F514 HydrophobicContact CD2-CD1 3.87Å; F490-F514 AromaticContact CD2-CE1 3.46Å; F490-F514 HydrophobicContact CD2-CE1 3.46Å; F490-F514 VanDerWaalsContact CD2-CE1 3.46Å; F490-F514 HydrophobicContact CD2-CE2 4.32Å; F490-F514 HydrophobicContact CD2-CG 4.45Å; F490-F514 AromaticContact CD2-CZ 3.7Å; F490-F514 HydrophobicContact CD2-CZ 3.7Å; F490-F514 HydrophobicContact CE2-CE1 4.34Å; F490-F514 HydrophobicContact CE2-CZ 4.14Å; F490-F514 HydrophobicContact CG-CD1 4.42Å; F490-F514 HydrophobicContact CG-CE1 4.09Å
491K94.2Very high91.9Very high91 Ų9157 Ų5740%0.39630%0.298SS..EExtended strand (participates in β ladder)trans-110.4-3.7-179.5-65.5-57.2-172.8-173.30113.6N437 V489 I513 H515N437-K491 PolarHBondContact OD1-O 3.11Å; V489-K491 HydrophobicContact CG1-CD 4.32Å; K491-I513 HydrophobicContact CB-CB 4.09Å; K491-I513 HydrophobicContact CB-CG2 3.91Å; K491-I513 HydrophobicContact CG-CG2 4.41Å; K491-I513 PolarHBondContact N-O 3.16Å; K491-H515 VanDerWaalsContact CE-ND1 3.25Å; K491-H515 WeakPolarHBondContact CE-ND1 3.41Å; K491-H515 HydrophobicContact CG-CB 4.43Å
492G94.9Very high92.1Very high0 Ų049.7 Ų49.70%027%0.267CS..EExtended strand (participates in β ladder)trans116.9169.1178.200000114.1F436 I513F436-G492 CarbonylContact O-C 3.52Å; F436-G492 WeakPolarHBondContact O-CA 3.39Å; G492-I513 PolarHBondContact O-N 2.94Å
493V96.6Very high92.3Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-86.5128.9169.9174.80000109.5T435 F436 F443 V476 F490 A510 E511 L603T435-V493 CarbonylContact C-O 3.54Å; T435-V493 WeakPolarHBondContact CA-O 3.32Å; F436-V493 HydrophobicContact CB-CB 4.47Å; F436-V493 WeakPolarHBondContact CD2-O 3.38Å; F436-V493 PolarHBondContact N-O 2.83Å; F436-V493 PolarHBondContact O-N 3.12Å; F443-V493 HydrophobicContact CE1-CB 4.13Å; F443-V493 HydrophobicContact CE1-CG1 4.13Å; F443-V493 HydrophobicContact CE1-CG2 4.12Å; F443-V493 HydrophobicContact CZ-CB 4.18Å; F443-V493 HydrophobicContact CZ-CG1 4.14Å; V476-V493 HydrophobicContact CG1-CG2 3.66Å; V476-V493 HydrophobicContact CG2-CG2 4.06Å; F490-V493 HydrophobicContact CZ-CG2 4.04Å; V493-A510 HydrophobicContact CG1-CB 4.43Å; V493-E511 CarbonylContact C-O 3.58Å; V493-L603 HydrophobicContact CB-CD1 4.21Å; V493-L603 HydrophobicContact CG1-CD1 3.37Å; V493-L603 HydrophobicContact CG2-CD1 3.86Å
494R96.8Very high92.7Very high51 Ų5145 Ų4519%0.19224%0.242CC..EExtended strand (participates in β ladder)trans-109.4113.3176.8-177.1-172.7-69.1165.1-5.7109.9M433 I434 H496 A510 E511 I513M433-R494 HydrophobicContact CB-CG 3.99Å; M433-R494 HydrophobicContact CE-CG 4.31Å; M433-R494 HydrophobicContact CG-CG 4.33Å; M433-R494 VanDerWaalsContact SD-CD 3.54Å; M433-R494 HydrophobicContact SD-CG 4.21Å; I434-R494 WeakPolarHBondContact O-CA 3.16Å; R494-H496 WeakPolarHBondContact CD-CE1 3.26Å; R494-H496 WeakPolarHBondContact CD-NE2 3.2Å; R494-A510 CarbonylContact O-C 3.58Å; R494-A510 WeakPolarHBondContact O-CA 3.44Å; R494-E511 HydrophobicContact CB-CG 4.03Å; R494-E511 WeakPolarHBondContact CD-OE1 3.29Å; R494-E511 IonicContact CZ-OE1 3.94Å; R494-E511 PolarHBondContact N-O 2.76Å; R494-E511 IonicContact NE-OE1 2.77Å; R494-E511 IonicContact NH1-OE1 3.19Å; R494-E511 PolarHBondContact NH1-OE1 2.79Å; R494-E511 PolarHBondContact O-N 2.77Å; R494-I513 HydrophobicContact CB-CG1 4.27Å
495A97.4Very high93.3Very high1 Ų141 Ų411%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-92.7135.5171.700000110.4M433 I434 F436 L445 F497 A510M433-A495 CarbonylContact C-O 3.55Å; M433-A495 WeakPolarHBondContact CA-O 3.49Å; M433-A495 WeakPolarHBondContact CB-O 3.39Å; I434-A495 PolarHBondContact N-O 2.64Å; I434-A495 PolarHBondContact O-N 3.41Å; F436-A495 HydrophobicContact CE2-CB 3.95Å; L445-A495 HydrophobicContact CD1-CB 4.1Å; A495-F497 HydrophobicContact CB-CE2 3.76Å; A495-F497 HydrophobicContact CB-CZ 3.73Å; A495-A510 HydrophobicContact CB-CB 4.45Å
496H97.6Very high93.9Very high47 Ų4738 Ų3822%0.21821%0.205CC..EExtended strand (participates in β ladder)trans-110.9132.3-177.2-62.5-93.4000110.6R494 V508 G509 E511R494-H496 WeakPolarHBondContact CD-CE1 3.26Å; R494-H496 WeakPolarHBondContact CD-NE2 3.2Å; H496-V508 HydrophobicContact CB-CB 3.99Å; H496-V508 PolarHBondContact O-N 3.24Å; H496-G509 PolarHBondContact N-O 3.1Å; H496-E511 IonicContact CE1-OE1 3.64Å; H496-E511 IonicContact NE2-OE1 3.6Å; H496-E511 PolarHBondContact NE2-OE1 2.84Å
497F97.7Very high94.6Very high1 Ų129.6 Ų29.60%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-127.9149.1-177.7-53.2-83.1000110.3V399 L421 K431 K432 I434 L445 L447 A495 L505 S506 V507V399-F497 HydrophobicContact CG2-CE2 4.47Å; V399-F497 HydrophobicContact CG2-CZ 4.38Å; L421-F497 HydrophobicContact CD1-CB 4.19Å; L421-F497 HydrophobicContact CD1-CD2 3.5Å; L421-F497 HydrophobicContact CD1-CE2 4.13Å; L421-F497 HydrophobicContact CD1-CG 4Å; L421-F497 HydrophobicContact CD2-CB 3.86Å; L421-F497 HydrophobicContact CD2-CD1 4.07Å; L421-F497 HydrophobicContact CD2-CD2 3.99Å; L421-F497 HydrophobicContact CD2-CG 3.69Å; L421-F497 HydrophobicContact CG-CD2 4.41Å; L421-F497 HydrophobicContact CG-CG 4.49Å; K431-F497 WeakPolarHBondContact CA-O 3.24Å; K432-F497 PolarHBondContact N-O 2.71Å; K432-F497 PolarHBondContact O-N 3.25Å; K432-F497 VanDerWaalsContact O-O 3.09Å; I434-F497 HydrophobicContact CB-CE2 4.49Å; I434-F497 HydrophobicContact CG1-CE2 4.36Å; L445-F497 HydrophobicContact CD1-CZ 4.05Å; L447-F497 HydrophobicContact CD1-CD1 4.03Å; L447-F497 HydrophobicContact CD1-CE1 3.87Å; L447-F497 HydrophobicContact CD2-CD1 4.32Å; L447-F497 HydrophobicContact CD2-CE1 3.67Å; L447-F497 HydrophobicContact CD2-CZ 4.1Å; L447-F497 HydrophobicContact CG-CE1 4.37Å; A495-F497 HydrophobicContact CB-CE2 3.76Å; A495-F497 HydrophobicContact CB-CZ 3.73Å; F497-L505 HydrophobicContact CB-CD1 4.45Å; F497-S506 WeakPolarHBondContact CA-O 3.35Å; F497-V507 HydrophobicContact CD1-CG2 4.23Å; F497-V507 HydrophobicContact CE1-CG1 4.48Å; F497-V507 HydrophobicContact CE1-CG2 4.2Å
498N97.1Very high95.2Very high33 Ų3331.6 Ų31.618%0.17617%0.17CC..EExtended strand (participates in β ladder)trans-137129.6176.7-179.351.7000110.5K431 L505 S506 V508K431-N498 HydrophobicContact CG-CB 4.18Å; K431-N498 VanDerWaalsContact CG-OD1 3.26Å; K431-N498 WeakPolarHBondContact CG-OD1 3.1Å; N498-L505 CarbonylContact O-C 3.54Å; N498-S506 PolarHBondContact N-O 3.13Å; N498-S506 PolarHBondContact O-N 3.3Å; N498-S506 PolarHBondContact O-OG 3.18Å; N498-V508 HydrophobicContact CB-CG2 3.58Å
499M96.4Very high95.7Very high1 Ų131.4 Ų31.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-103.1114.5163.6-172151.660.700107.3N393 I397 Y422 Y428 P429 Q430 I504N393-M499 HydrophobicContact CB-CE 3.73Å; I397-M499 HydrophobicContact CD1-SD 4.34Å; Y422-M499 HydrophobicContact CD1-CE 3.66Å; Y422-M499 HydrophobicContact CD2-CE 4.3Å; Y422-M499 HydrophobicContact CE1-CB 4.1Å; Y422-M499 HydrophobicContact CE1-CE 4.13Å; Y422-M499 HydrophobicContact CE2-CB 4.24Å; Y422-M499 HydrophobicContact CG-CE 3.76Å; Y422-M499 PolarHBondContact OH-N 3.19Å; Y428-M499 HydrophobicContact CD1-CE 3.92Å; Y428-M499 HydrophobicContact CD1-SD 4.4Å; Y428-M499 HydrophobicContact CG-CE 4.14Å; Y428-M499 HydrophobicContact CG-CG 4.16Å; Y428-M499 HydrophobicContact CG-SD 4.48Å; P429-M499 CarbonylContact C-O 3.46Å; P429-M499 WeakPolarHBondContact CA-O 3.29Å; Q430-M499 PolarHBondContact N-O 2.84Å; Q430-M499 PolarHBondContact O-N 3.4Å; M499-I504 WeakPolarHBondContact CA-O 3.25Å
500D95.4Very high96Very high52 Ų5228.3 Ų28.328%0.27816%0.155SC..  trans-79.9-173.8-173.6727.7000113Y428 S502 G503 I504Y428-D500 VanDerWaalsContact CD2-O 3.32Å; Y428-D500 WeakPolarHBondContact CD2-O 3.28Å; D500-S502 PolarHBondContact O-N 2.74Å; D500-S502 VanDerWaalsContact OD1-CA 3.31Å; D500-S502 WeakPolarHBondContact OD1-CA 3.35Å; D500-S502 VanDerWaalsContact OD1-CB 3.29Å; D500-S502 WeakPolarHBondContact OD1-CB 2.93Å; D500-S502 PolarHBondContact OD1-N 2.93Å; D500-G503 PolarHBondContact O-N 2.92Å; D500-G503 PolarHBondContact OD1-N 3.42Å; D500-G503 VanDerWaalsContact OD1-N 3.08Å; D500-I504 PolarHBondContact N-O 3.02Å; D500-I504 VanDerWaalsContact N-O 3.13Å; D500-I504 PolarHBondContact OD1-N 2.88Å
501D92.6Very high96.2Very high46 Ų4627.7 Ų27.725%0.24615%0.152CC..THydrogen-bonded Turntrans-65.3-23.3178.5-69.7-57.6000113.7A167 R378 P429 G503A167-D501 HydrophobicContact CB-CB 4.42Å; R378-D501 IonicContact CZ-OD1 2.86Å; R378-D501 IonicContact CZ-OD2 3.26Å; R378-D501 VanDerWaalsContact NH1-CG 3.26Å; R378-D501 IonicContact NH1-OD1 3.69Å; R378-D501 PolarHBondContact NH1-OD1 3.35Å; R378-D501 IonicContact NH1-OD2 2.69Å; R378-D501 PolarHBondContact NH1-OD2 2.75Å; R378-D501 IonicContact NH2-OD1 3.42Å; R378-D501 PolarHBondContact NH2-OD1 2.83Å; R378-D501 IonicContact NH2-OD2 3.02Å; R378-D501 PolarHBondContact NH2-OD2 3.14Å; P429-D501 VanDerWaalsContact CD-OD1 3.24Å; P429-D501 WeakPolarHBondContact CD-OD1 3.47Å; P429-D501 WeakPolarHBondContact CG-OD1 3.46Å; D501-G503 PolarHBondContact O-N 3.03Å
502S95.7Very high96.3Very high10 Ų1023.3 Ų23.37%0.0713%0.133CC..THydrogen-bonded Turntrans-82-2.3174.4-57.10000112R151 A167 L168 D500 I504R151-S502 PolarHBondContact NH1-O 2.65Å; A167-S502 WeakPolarHBondContact CA-OG 3.45Å; L168-S502 PolarHBondContact N-OG 3.46Å; D500-S502 PolarHBondContact O-N 2.74Å; D500-S502 VanDerWaalsContact OD1-CA 3.31Å; D500-S502 WeakPolarHBondContact OD1-CA 3.35Å; D500-S502 VanDerWaalsContact OD1-CB 3.29Å; D500-S502 WeakPolarHBondContact OD1-CB 2.93Å; D500-S502 PolarHBondContact OD1-N 2.93Å; S502-I504 VanDerWaalsContact C-N 3.28Å
503G95.4Very high96.3Very high2 Ų223.5 Ų23.52%0.02113%0.134CC..  trans71.421.3-174.200000113Q148 D500 D501Q148-G503 PolarHBondContact NE2-O 2.94Å; D500-G503 PolarHBondContact O-N 2.92Å; D500-G503 PolarHBondContact OD1-N 3.42Å; D500-G503 VanDerWaalsContact OD1-N 3.08Å; D501-G503 PolarHBondContact O-N 3.03Å
504I97Very high96.3Very high20 Ų2023.7 Ų23.710%0.10314%0.135CC..  trans-91.4126.8-179.5-63.2175.3000109.6R151 R152 V155 L168 M499 D500 S502R151-I504 HydrophobicContact CB-CD1 4.08Å; R151-I504 HydrophobicContact CB-CG1 3.81Å; R152-I504 HydrophobicContact CG-CG2 4.2Å; V155-I504 HydrophobicContact CG2-CD1 3.41Å; V155-I504 VanDerWaalsContact CG2-CD1 3.41Å; L168-I504 HydrophobicContact CD1-CD1 4.36Å; M499-I504 WeakPolarHBondContact CA-O 3.25Å; D500-I504 PolarHBondContact N-O 3.02Å; D500-I504 VanDerWaalsContact N-O 3.13Å; D500-I504 PolarHBondContact OD1-N 2.88Å; S502-I504 VanDerWaalsContact C-N 3.28Å
505L96.9Very high96.1Very high10 Ų1023.8 Ų23.85%0.05214%0.137CC..EExtended strand (participates in β ladder)trans-76.9131.4175.2-179.569.6000110I397 L421 Y422 L447 F497 N498I397-L505 HydrophobicContact CD1-CB 4.39Å; I397-L505 HydrophobicContact CD1-CD2 4.18Å; I397-L505 HydrophobicContact CG2-CD2 3.89Å; L421-L505 HydrophobicContact CD2-CD1 4.03Å; Y422-L505 HydrophobicContact CD2-CD1 4.22Å; Y422-L505 HydrophobicContact CE2-CD1 3.59Å; L447-L505 HydrophobicContact CB-CD2 4.15Å; L447-L505 HydrophobicContact CD1-CD2 3.62Å; L447-L505 HydrophobicContact CD1-CG 4.34Å; L447-L505 HydrophobicContact CG-CD2 4.45Å; F497-L505 HydrophobicContact CB-CD1 4.45Å; N498-L505 CarbonylContact O-C 3.54Å
506S95.5Very high95.6Very high47 Ų4725.6 Ų25.633%0.32915%0.145SC..EExtended strand (participates in β ladder)trans-133.5144.817454.90000111F497 N498F497-S506 WeakPolarHBondContact CA-O 3.35Å; N498-S506 PolarHBondContact N-O 3.13Å; N498-S506 PolarHBondContact O-N 3.3Å; N498-S506 PolarHBondContact O-OG 3.18Å
507V95.8Very high94.8Very high23 Ų2326.9 Ų26.914%0.13916%0.158CC..EExtended strand (participates in β ladder)trans-86.9118168.8-175.30000107.2L447 V471 F497 V605L447-V507 HydrophobicContact CD1-CG2 3.9Å; V471-V507 HydrophobicContact CG1-CG1 3.94Å; V471-V507 HydrophobicContact CG1-CG2 4.39Å; V471-V507 HydrophobicContact CG2-CG2 3.55Å; F497-V507 HydrophobicContact CD1-CG2 4.23Å; F497-V507 HydrophobicContact CE1-CG1 4.48Å; F497-V507 HydrophobicContact CE1-CG2 4.2Å; V507-V605 HydrophobicContact CG1-CG1 3.92Å
508V95.7Very high94Very high91 Ų9129.2 Ų29.255%0.55217%0.173SC*.EExtended strand (participates in β ladder)trans-83.9-35-176-179.90000111H496 N498H496-V508 HydrophobicContact CB-CB 3.99Å; H496-V508 PolarHBondContact O-N 3.24Å; N498-V508 HydrophobicContact CB-CG2 3.58Å
509G96.2Very high92.8Very high20 Ų2032.3 Ų32.321%0.20620%0.195CC..EExtended strand (participates in β ladder)trans153.4-176.1-179.400000111.6H496H496-G509 PolarHBondContact N-O 3.1Å
510A97.5Very high91.5Very high9 Ų937.6 Ų37.67%0.07423%0.229CC..EExtended strand (participates in β ladder)trans-141.7150.9176.100000111.8L473 V493 R494 A495 L603 V605L473-A510 HydrophobicContact CD2-CB 3.29Å; V493-A510 HydrophobicContact CG1-CB 4.43Å; R494-A510 CarbonylContact O-C 3.58Å; R494-A510 WeakPolarHBondContact O-CA 3.44Å; A495-A510 HydrophobicContact CB-CB 4.45Å; A510-L603 HydrophobicContact CB-CB 4.26Å; A510-L603 HydrophobicContact CB-CD1 4.22Å; A510-L603 PolarHBondContact O-N 2.89Å; A510-V605 HydrophobicContact CB-CG2 3.67Å
511E97.4Very high89.9Confident26 Ų2639.9 Ų39.912%0.12125%0.247CC..EExtended strand (participates in β ladder)trans-137135.8179.358.3-178-170.600111V493 R494 H496 I513 K600 V601V493-E511 CarbonylContact C-O 3.58Å; R494-E511 HydrophobicContact CB-CG 4.03Å; R494-E511 WeakPolarHBondContact CD-OE1 3.29Å; R494-E511 IonicContact CZ-OE1 3.94Å; R494-E511 PolarHBondContact N-O 2.76Å; R494-E511 IonicContact NE-OE1 2.77Å; R494-E511 IonicContact NH1-OE1 3.19Å; R494-E511 PolarHBondContact NH1-OE1 2.79Å; R494-E511 PolarHBondContact O-N 2.77Å; H496-E511 IonicContact CE1-OE1 3.64Å; H496-E511 IonicContact NE2-OE1 3.6Å; H496-E511 PolarHBondContact NE2-OE1 2.84Å; E511-I513 HydrophobicContact CB-CD1 4.44Å; E511-I513 HydrophobicContact CG-CD1 3.66Å; E511-I513 HydrophobicContact CG-CG1 4.48Å; E511-I513 WeakPolarHBondContact OE1-CD1 3.33Å; E511-K600 IonicContact OE1-NZ 2.66Å; E511-K600 PolarHBondContact OE1-NZ 3.33Å; E511-K600 VanDerWaalsContact OE2-CD 3.29Å; E511-K600 WeakPolarHBondContact OE2-CD 3.5Å; E511-K600 IonicContact OE2-NZ 3.76Å; E511-V601 CarbonylContact C-O 3.58Å; E511-V601 VanDerWaalsContact CA-O 3.24Å; E511-V601 WeakPolarHBondContact CA-O 3.47Å
512A96.9Very high88.2Confident0 Ų043.9 Ų43.90%027%0.272CS..EExtended strand (participates in β ladder)trans-81129.7165.700000109.4A479 F490 F514 V601 L603A479-A512 HydrophobicContact CB-CB 4Å; F490-A512 HydrophobicContact CE2-CB 4Å; A512-F514 HydrophobicContact CB-CE2 3.71Å; A512-F514 HydrophobicContact CB-CZ 4.16Å; A512-V601 HydrophobicContact CB-CB 4.3Å; A512-V601 PolarHBondContact N-O 2.75Å; A512-V601 PolarHBondContact O-N 2.95Å; A512-L603 HydrophobicContact CB-CD1 4.46Å; A512-L603 HydrophobicContact CB-CD2 4.07Å; A512-L603 HydrophobicContact CB-CG 4.37Å
513I95.9Very high86Confident4 Ų452.6 Ų52.62%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-105.4130.4-176.2-53.8-62.8000110.2F490 K491 G492 R494 E511 V598 I599 K600F490-I513 WeakPolarHBondContact CD2-O 3.45Å; K491-I513 HydrophobicContact CB-CB 4.09Å; K491-I513 HydrophobicContact CB-CG2 3.91Å; K491-I513 HydrophobicContact CG-CG2 4.41Å; K491-I513 PolarHBondContact N-O 3.16Å; G492-I513 PolarHBondContact O-N 2.94Å; R494-I513 HydrophobicContact CB-CG1 4.27Å; E511-I513 HydrophobicContact CB-CD1 4.44Å; E511-I513 HydrophobicContact CG-CD1 3.66Å; E511-I513 HydrophobicContact CG-CG1 4.48Å; E511-I513 WeakPolarHBondContact OE1-CD1 3.33Å; I513-V598 HydrophobicContact CG2-CG1 3.9Å; I513-I599 WeakPolarHBondContact CA-O 3.46Å; I513-K600 HydrophobicContact CD1-CB 4.41Å; I513-K600 HydrophobicContact CD1-CG 3.73Å
514F94.7Very high83.6Confident4 Ų458.6 Ų58.62%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-127.5147.2173.7-53.8-97.6000110.6A479 L480 N483 T488 V489 F490 A512 V598 I599 V601A479-F514 HydrophobicContact CB-CE2 4.48Å; A479-F514 HydrophobicContact CB-CZ 4.36Å; A479-F514 VanDerWaalsContact O-CZ 3.32Å; A479-F514 WeakPolarHBondContact O-CZ 3.37Å; L480-F514 HydrophobicContact CD1-CZ 4.38Å; L480-F514 HydrophobicContact CG-CE1 4.3Å; L480-F514 HydrophobicContact CG-CZ 4.37Å; N483-F514 HydrophobicContact CB-CD1 3.78Å; N483-F514 HydrophobicContact CB-CD2 4.06Å; N483-F514 HydrophobicContact CB-CE1 3.73Å; N483-F514 HydrophobicContact CB-CE2 4.03Å; N483-F514 HydrophobicContact CB-CG 3.96Å; N483-F514 HydrophobicContact CB-CZ 3.88Å; T488-F514 HydrophobicContact CG2-CB 3.67Å; T488-F514 HydrophobicContact CG2-CD1 4.06Å; T488-F514 HydrophobicContact CG2-CG 4.23Å; V489-F514 CarbonylContact O-C 2.8Å; V489-F514 WeakPolarHBondContact O-CA 3.19Å; F490-F514 HydrophobicContact CB-CD1 3.98Å; F490-F514 HydrophobicContact CB-CE1 3.96Å; F490-F514 AromaticContact CD2-CD1 3.87Å; F490-F514 HydrophobicContact CD2-CD1 3.87Å; F490-F514 AromaticContact CD2-CE1 3.46Å; F490-F514 HydrophobicContact CD2-CE1 3.46Å; F490-F514 VanDerWaalsContact CD2-CE1 3.46Å; F490-F514 HydrophobicContact CD2-CE2 4.32Å; F490-F514 HydrophobicContact CD2-CG 4.45Å; F490-F514 AromaticContact CD2-CZ 3.7Å; F490-F514 HydrophobicContact CD2-CZ 3.7Å; F490-F514 HydrophobicContact CE2-CE1 4.34Å; F490-F514 HydrophobicContact CE2-CZ 4.14Å; F490-F514 HydrophobicContact CG-CD1 4.42Å; F490-F514 HydrophobicContact CG-CE1 4.09Å; A512-F514 HydrophobicContact CB-CE2 3.71Å; A512-F514 HydrophobicContact CB-CZ 4.16Å; F514-V598 WeakPolarHBondContact O-CA 3.45Å; F514-I599 HydrophobicContact CB-CB 4.23Å; F514-I599 PolarHBondContact N-O 2.82Å; F514-I599 PolarHBondContact O-N 2.94Å; F514-V601 HydrophobicContact CD2-CG2 3.97Å; F514-V601 HydrophobicContact CE2-CB 4.27Å; F514-V601 HydrophobicContact CE2-CG2 3.7Å
515H93.2Very high81.1Confident53 Ų5361.1 Ų61.125%0.24536%0.359CS..EExtended strand (participates in β ladder)trans-112.4121.9172.5-76.4-162.6000109.2T488 V489 K491 P596 V597T488-H515 CarbonylContact C-O 3.27Å; T488-H515 WeakPolarHBondContact CA-O 3.12Å; V489-H515 PolarHBondContact N-O 2.69Å; V489-H515 PolarHBondContact O-N 3.07Å; K491-H515 VanDerWaalsContact CE-ND1 3.25Å; K491-H515 WeakPolarHBondContact CE-ND1 3.41Å; K491-H515 HydrophobicContact CG-CB 4.43Å; H515-P596 HydrophobicContact CB-CB 4.14Å; H515-P596 HydrophobicContact CB-CG 4.49Å; H515-V597 WeakPolarHBondContact CA-O 3.49Å
516K87Confident79.1Confident39 Ų3965.9 Ų65.917%0.1739%0.389CS..EExtended strand (participates in β ladder)trans-101148.1170.6-71.3-162.7-178.9169.80111.2E485 T488 P596 V597 I599E485-K516 IonicContact OE1-NZ 2.64Å; E485-K516 PolarHBondContact OE1-NZ 2.93Å; E485-K516 WeakPolarHBondContact OE2-CE 3.47Å; E485-K516 IonicContact OE2-NZ 3.78Å; E485-K516 PolarHBondContact OE2-NZ 3.15Å; T488-K516 HydrophobicContact CG2-CG 3.83Å; T488-K516 VanDerWaalsContact OG1-CE 3.27Å; T488-K516 WeakPolarHBondContact OG1-CE 3.4Å; T488-K516 WeakPolarHBondContact OG1-CG 3.2Å; K516-P596 CarbonylContact O-C 3.49Å; K516-P596 WeakPolarHBondContact O-CA 3.38Å; K516-P596 WeakPolarHBondContact O-CB 3.23Å; K516-V597 HydrophobicContact CB-CB 4.42Å; K516-V597 PolarHBondContact N-O 3.07Å; K516-V597 PolarHBondContact O-N 3.02Å; K516-I599 HydrophobicContact CD-CD1 3.42Å; K516-I599 VanDerWaalsContact CD-CD1 3.42Å; K516-I599 HydrophobicContact CG-CD1 3.63Å
517P81.4Confident77Confident74 Ų7470 Ų7048%0.48141%0.407SS..PPolyproline II helixtrans-59.5145.3168.624.7-31.9000110G487G487-P517 WeakPolarHBondContact O-CD 3.36Å
518P79.6Confident75.1Confident50 Ų5071 Ų7133%0.32542%0.415SS..PPolyproline II helixtrans-62.4145.1175.627-32.7000110.1K594P518-K594 HydrophobicContact CB-CB 4.22Å; P518-K594 HydrophobicContact CG-CB 3.92Å
519P72.5Confident73.1Confident98 Ų9873.5 Ų73.564%0.63642%0.418SS*.PPolyproline II helixtrans-59.6149.4177.424.5-32.8000111
520P69.1Low71.2Confident112 Ų11278 Ų7873%0.72744%0.436SS*.PPolyproline II helixtrans-58.1144.617624.3-32.3000110.2V522P520-V522 PolarHBondContact O-N 3.19Å
521P62.4Low69.1Low99 Ų9979.8 Ų79.864%0.64346%0.456SS*.PPolyproline II helixtrans-60127.8179.624.6-31.5000110.2E523P521-E523 PolarHBondContact O-N 2.86Å
522V57.2Low67Low130 Ų13085.3 Ų85.379%0.78848%0.481SS*.PPolyproline II helixtrans-68.9124.6167.1-176.10000107.1P520 E524P520-V522 PolarHBondContact O-N 3.19Å; V522-E524 VanDerWaalsContact C-N 3.3Å; V522-E524 PolarHBondContact O-N 3.39Å
523E50Low65.1Low194 Ų19493.1 Ų93.191%0.90752%0.515SS*.  trans-67.389.9171.7-72.5-171.9162.800109.3P521 S525P521-E523 PolarHBondContact O-N 2.86Å; E523-S525 PolarHBondContact O-N 3.04Å; E523-S525 VanDerWaalsContact O-N 3.16Å
524E43.4Very low63.2Low128 Ų12898.4 Ų98.460%0.59854%0.542SS*.  trans-65.8114.5166.8-83-177.717100109.2V522V522-E524 VanDerWaalsContact C-N 3.3Å; V522-E524 PolarHBondContact O-N 3.39Å
525S44.9Very low60.9Low73 Ų73103.2 Ų103.251%0.5157%0.572SS.*  trans-44.3143.8176.9-173.80000111.6E523 L527 S528E523-S525 PolarHBondContact O-N 3.04Å; E523-S525 VanDerWaalsContact O-N 3.16Å; S525-L527 PolarHBondContact O-N 2.92Å; S525-S528 WeakPolarHBondContact O-CB 3.45Å; S525-S528 PolarHBondContact O-N 3.21Å; S525-S528 PolarHBondContact O-OG 3.05Å
526T54.9Low58.9Low110 Ų110104.9 Ų104.968%0.67559%0.59SS**THydrogen-bonded Turntrans-54-19.2-176.346.20000114.2
527L51.8Low57.1Low134 Ų134111.5 Ų111.570%0.70262%0.619SS**THydrogen-bonded Turntrans-69.8-32.6173.8-69.1169.8000113.4S525 K529 I530S525-L527 PolarHBondContact O-N 2.92Å; L527-K529 VanDerWaalsContact C-N 3.29Å; L527-K529 PolarHBondContact O-N 2.81Å; L527-I530 PolarHBondContact O-N 3.13Å
528S56Low55.7Low44 Ų44116.6 Ų116.631%0.30863%0.634SS.*Hα-helixtrans-67.3-31.1177.8-16.70000111.9S525 I530 H532S525-S528 WeakPolarHBondContact O-CB 3.45Å; S525-S528 PolarHBondContact O-N 3.21Å; S525-S528 PolarHBondContact O-OG 3.05Å; S528-I530 VanDerWaalsContact C-N 3.32Å; S528-I530 PolarHBondContact O-N 2.88Å; S528-H532 PolarHBondContact O-CD2 3.01Å
529K53.1Low53.8Low143 Ų143120.4 Ų120.462%0.62266%0.656SS**Hα-helixtrans-76.9-15.2-179.9-70.9178-179.2169.20114L527L527-K529 VanDerWaalsContact C-N 3.29Å; L527-K529 PolarHBondContact O-N 2.81Å
530I56.8Low52Low113 Ų113118.9 Ų118.958%0.57966%0.658SS**Hα-helixtrans-88.8-31.7176.2-63.3172.1000110.8L527 S528L527-I530 PolarHBondContact O-N 3.13Å; S528-I530 VanDerWaalsContact C-N 3.32Å; S528-I530 PolarHBondContact O-N 2.88Å
531G53.4Low50.4Low48 Ų48118.7 Ų118.750%0.49566%0.659SS.*Hα-helixtrans-66.5-35.7177.400000114.4K533G531-K533 PolarHBondContact O-N 3.08Å
532H53.5Low49.1Very low142 Ų142121.4 Ų121.466%0.65767%0.669SS**THydrogen-bonded Turntrans-78.8-11.1-175.4-77.2-64000115.7S528 T535S528-H532 PolarHBondContact O-CD2 3.01Å; H532-T535 PolarHBondContact O-OG1 3.48Å
533K55.5Low48.1Very low164 Ų164120.2 Ų120.271%0.71367%0.666SS**THydrogen-bonded Turntrans-90.8-11.2179.8-77.4-171.3176.7-176.10114.8G531G531-K533 PolarHBondContact O-N 3.08Å
534I55.9Low47.3Very low115 Ų115115.4 Ų115.459%0.5966%0.659SS**THydrogen-bonded Turntrans-87.4-26.1179.9-61.4175.3000111.1S536I534-S536 VanDerWaalsContact C-N 3.34Å; I534-S536 PolarHBondContact O-N 2.88Å
535T47.3Very low46.9Very low104 Ų104118.3 Ų118.364%0.63867%0.67SS**THydrogen-bonded Turntrans-74.7-13.4179.5230000115.3H532H532-T535 PolarHBondContact O-OG1 3.48Å
536S51Low46.4Very low89 Ų89122.1 Ų122.162%0.62269%0.685SS**THydrogen-bonded Turntrans-93.51.3-179.962.30000114.6I534I534-S536 VanDerWaalsContact C-N 3.34Å; I534-S536 PolarHBondContact O-N 2.88Å
537F49.6Very low45.5Very low178 Ų178121.5 Ų121.578%0.78169%0.691SS**SBendtrans-107.7-3.9-176.6-100.7-87.2000115
538F51Low44.6Very low180 Ų180122.2 Ų122.279%0.78970%0.695SS**SBendtrans-118.96.4-170.8-86.9-76.9000116.9
539T40.2Very low43.7Very low131 Ų131127.3 Ų127.380%0.80472%0.719SS**  trans-136.283.4-177.955.50000112.2
540G35.7Very low42.7Very low66 Ų66126.5 Ų126.568%0.6873%0.727SS**  trans-121.8138.5162.400000110.2
541S34.4Very low41.6Very low107 Ų107125.4 Ų125.475%0.74873%0.734SS**  trans53.6112166.370.40000119.1
542D36Very low40.7Very low156 Ų156132.9 Ų132.983%0.83475%0.753SS**  175163.192.5-96.5-26.1000113
543S35.5Very low39.7Very low105 Ų105130 Ų13073%0.73475%0.754SS**  trans-74.7150.7-164.648.30000118.6
544A34Very low38.4Very low93 Ų93130.9 Ų130.977%0.76976%0.761SS**  trans85.3138.1134.500000123.1
545K35.1Very low37.1Very low189 Ų189134.5 Ų134.582%0.82278%0.775SS**  trans96.3108.4153.1-71-175.9177.2177.70120.7
546D33.8Very low36.2Very low153 Ų153134.7 Ų134.782%0.81879%0.788SS**  35.2123.4126-57.2-31.8000120.3
547A35.8Very low35.1Very low97 Ų97135.6 Ų135.680%0.80280%0.8SS**  166.5138.8106.500000112.5
548N32.5Very low34Very low149 Ų149133.2 Ų133.280%0.79780%0.8SS**  trans14131.9153.4-81.4-8.3000120.5
549D36.7Very low32.9Very low152 Ų152132 Ų13281%0.81380%0.802SS**  -168.8146.896.3-106.9-24.7000114.6
550T32.4Very low32.4Very low126 Ų126134.5 Ų134.577%0.77381%0.805SS**  trans-68.9146.3179.138.10000114.8
551A35.2Very low32.1Very low90 Ų90137 Ų13774%0.74481%0.807SS**  148.6140.9110.800000115.2
552K33.4Very low31.9Very low204 Ų204139.2 Ų139.289%0.88782%0.816SS**  trans90.6101.2153.3-73.9179177.7-179.30121.2
553A33.1Very low31.6Very low83 Ų83135 Ų13569%0.68681%0.808SS**  88.1111113.300000120.4
554E27.9Very low31.3Very low181 Ų181135.4 Ų135.485%0.84681%0.811SS**  60.5101.1128.7-66.5178.216200119.6
555E27.7Very low31.1Very low192 Ų192135.7 Ų135.790%0.89781%0.814SS**  167.1146.9105.3-90.9-177.4160.200110.7
556A29Very low30.8Very low108 Ų108135.1 Ų135.189%0.89381%0.814SS**  trans74.994.717300000118.5
557A28.1Very low30.6Very low107 Ų107135.6 Ų135.688%0.88482%0.817SS**  trans-133.393.2162.500000111.4
558T26.7Very low30.2Very low128 Ų128135.8 Ų135.879%0.78582%0.818SS**  trans-108.2133.3153.4370000108.3
559N28.5Very low30.2Very low156 Ų156135.1 Ų135.183%0.83482%0.82SS**  trans65.2105170.7-68.8-24.8000116.3
560E29.4Very low29.8Very low182 Ų182132.8 Ų132.885%0.8582%0.822SS**  trans-160.6133131.7-114.8175.4-160.300114.3
561T29.3Very low29.8Very low120 Ų120132.1 Ų132.174%0.73682%0.822SS**  trans59.1109.9143.242.80000121.3
562V29.9Very low29.5Very low153 Ų153134.9 Ų134.993%0.92783%0.825SS**  trans-102.9113.2139.71770000107.2
563G29.8Very low29.6Very low66 Ų66133 Ų13368%0.6882%0.824SS**  trans-64.9135.7-179.700000113.1A565G563-A565 PolarHBondContact O-N 3.32Å
564S28.2Very low29.4Very low114 Ų114135 Ų13580%0.79783%0.828SS**  trans-80.7106.4160.771.10000108.7Q566S564-Q566 PolarHBondContact O-N 2.92Å
565A30.8Very low29.7Very low100 Ų100135.2 Ų135.283%0.82683%0.826SS**  trans-76.1120.4160.500000108.5G563G563-A565 PolarHBondContact O-N 3.32Å
566Q28.6Very low30Very low177 Ų177133.7 Ų133.783%0.82782%0.819SS**  trans-55.3140.9172.5-65.4158.8-30.600110.7S564S564-Q566 PolarHBondContact O-N 2.92Å
567N30.8Very low30.1Very low163 Ų163134.3 Ų134.387%0.87282%0.817SS**  trans-146.297.8148.5-104.1-6.8000107.6
568A27.2Very low30.4Very low100 Ų100133.5 Ų133.583%0.82681%0.81SS**  trans-79.112215900000107.3
569T31.2Very low30.7Very low135 Ų135132.4 Ų132.483%0.82881%0.808SS**  trans-114.3109.5161.718.10000107.1
570A29.4Very low31Very low103 Ų103133.5 Ų133.585%0.85181%0.805SS**  trans-65.7128.416500000109.1
571S32.4Very low31.3Very low112 Ų112133 Ų13378%0.78380%0.803SS**  trans-102.2111.9161.349.20000107.8
572N28.7Very low31.3Very low149 Ų149136.3 Ų136.380%0.79781%0.81SS**  trans-62.1126.2159.2-93.9-16.1000108.4
573D34.9Very low31.5Very low163 Ų163140.9 Ų140.987%0.87281%0.81SS**  trans-131.5116.7149.3-98.9-35.4000109.2
574T29.2Very low31.7Very low126 Ų126146.7 Ų146.777%0.77382%0.817SS**  trans-84.2122.4178.1-44.30000108
575K34.6Very low31.9Very low185 Ų185147.8 Ų147.880%0.80481%0.814SS**  trans-166.3125.4145.1-110.4171.9-173.5-174.10113.5
576E34.2Very low32.1Very low161 Ų161150.7 Ų150.775%0.75282%0.815SS**  trans73.789.6145.7-74.3168.9165.100120.4
577S29.9Very low32.1Very low120 Ų120145.9 Ų145.984%0.83981%0.813SS**  38.3100.2108.5-42.70000118.5
578A35.4Very low32.3Very low91 Ų91144.1 Ų144.175%0.75281%0.809SS**  trans-170.7108.9132.500000112.8
579S32.9Very low32.6Very low105 Ų105146 Ų14673%0.73481%0.81SS**  trans61.2118.5139.965.40000122.1
580K33.7Very low32.8Very low179 Ų179144.2 Ų144.278%0.77881%0.809SS**  101.2106.4124.2-82.7176.4178.3176.80119.6
581Q35.5Very low33.3Very low172 Ų172143.3 Ų143.380%0.80480%0.802SS**  9399.9124.3-80.1173.3-41.100118.8
582E30.3Very low33.8Very low189 Ų189147 Ų14788%0.88381%0.807SS**  trans-45.2136.4148.4-61.2174.7138.700112.7
583R34.5Very low34.9Very low249 Ų249146.3 Ų146.394%0.9481%0.808SS**  trans-142.2120.6138.2-93.4-173.5-179.6172-0.3109.5
584K32.9Very low36.3Very low187 Ų187145 Ų14581%0.81379%0.794SS**  trans-70159.3169.5-87.6-178.4173.2178.30112.1
585D31.8Very low38.6Very low138 Ų138147.8 Ų147.874%0.73880%0.796SS**  trans70.1107.6152.9-63.5-20.9000118.5
586N35.2Very low40.8Very low160 Ų160141.9 Ų141.986%0.85678%0.776SS**  -161.5135.198.3-110.4-22.4000112.1
587G30.3Very low43.3Very low76 Ų76137.5 Ų137.578%0.78476%0.76SS**  trans-62.2132.9178.700000112.2
588T34.9Very low46.3Very low126 Ų126135.3 Ų135.377%0.77374%0.742SS**  trans-144.1121.5152.4-32.70000106.4A590T588-A590 PolarHBondContact O-N 3.35Å
589T32.3Very low48.9Very low140 Ų140132.8 Ų132.886%0.85972%0.715SS**  trans-42101.8177.141.20000111.7A591T589-A591 PolarHBondContact O-N 3.35Å
590A35.2Very low51.9Low98 Ų98133.3 Ų133.381%0.8170%0.704SS**  trans-73.9106.517000000107.8T588 E592T588-A590 PolarHBondContact O-N 3.35Å; A590-E592 PolarHBondContact O-N 3.4Å
591A39.9Very low54.9Low84 Ų84126.3 Ų126.369%0.69468%0.677SS**  trans-53.1124172.300000109.7T589 T593T589-A591 PolarHBondContact O-N 3.35Å; A591-T593 PolarHBondContact O-N 2.81Å
592E44.4Very low57.8Low190 Ų190123.4 Ų123.489%0.88867%0.673SS**  trans-56100.9166.8-81-177144.800108.6A590 K594A590-E592 PolarHBondContact O-N 3.4Å; E592-K594 PolarHBondContact O-N 2.89Å
593T51.4Low61Low134 Ų134115.2 Ų115.282%0.82264%0.635SS**  trans-70.798.6172.329.50000107.8A591 K595A591-T593 PolarHBondContact O-N 2.81Å; T593-K595 PolarHBondContact O-N 3.14Å
594K64.5Low63.9Low134 Ų134106 Ų10658%0.58361%0.606SS**PPolyproline II helixtrans-54.1124173.9-68.8-176.8179.9-1780109.3P518 E592P518-K594 HydrophobicContact CB-CB 4.22Å; P518-K594 HydrophobicContact CG-CB 3.92Å; E592-K594 PolarHBondContact O-N 2.89Å
595K76.6Confident66.9Low186 Ų18698.9 Ų98.981%0.80958%0.578SS**PPolyproline II helixtrans-60.2140.3-179.5-69178.4-178.7174.30110.2T593T593-K595 PolarHBondContact O-N 3.14Å
596P80.5Confident70Confident60 Ų6097.8 Ų97.839%0.3957%0.569SS.*PPolyproline II helixtrans-62.4149.7176.826.6-34000111.1H515 K516 V598H515-P596 HydrophobicContact CB-CB 4.14Å; H515-P596 HydrophobicContact CB-CG 4.49Å; K516-P596 CarbonylContact O-C 3.49Å; K516-P596 WeakPolarHBondContact O-CA 3.38Å; K516-P596 WeakPolarHBondContact O-CB 3.23Å; P596-V598 PolarHBondContact O-N 2.77Å
597V88.1Confident72.7Confident69 Ų6993.7 Ų93.742%0.41854%0.544SS..EExtended strand (participates in β ladder)trans-75.7122.1175.3179.70000108.4H515 K516H515-V597 WeakPolarHBondContact CA-O 3.49Å; K516-V597 HydrophobicContact CB-CB 4.42Å; K516-V597 PolarHBondContact N-O 3.07Å; K516-V597 PolarHBondContact O-N 3.02Å
598V91.2Very high75.7Confident74 Ų7492.2 Ų92.245%0.44852%0.524SS..EExtended strand (participates in β ladder)trans-91.6118.4-179.4-176.70000109.6I513 F514 P596 K600I513-V598 HydrophobicContact CG2-CG1 3.9Å; F514-V598 WeakPolarHBondContact O-CA 3.45Å; P596-V598 PolarHBondContact O-N 2.77Å; V598-K600 HydrophobicContact CG1-CG 4.4Å
599I91.9Very high78.5Confident39 Ų3987.9 Ų87.920%0.250%0.496CS..EExtended strand (participates in β ladder)trans-99.9133.1173.3-60.5175.7000108.6I513 F514 K516 V601I513-I599 WeakPolarHBondContact CA-O 3.46Å; F514-I599 HydrophobicContact CB-CB 4.23Å; F514-I599 PolarHBondContact N-O 2.82Å; F514-I599 PolarHBondContact O-N 2.94Å; K516-I599 HydrophobicContact CD-CD1 3.42Å; K516-I599 VanDerWaalsContact CD-CD1 3.42Å; K516-I599 HydrophobicContact CG-CD1 3.63Å; I599-V601 HydrophobicContact CG2-CG2 4.05Å
600K95.6Very high81.5Confident116 Ų11685.6 Ų85.650%0.50448%0.476SS..EExtended strand (participates in β ladder)trans-119114.7178.5-64.8173160.6-148.60108.3E511 I513 V598E511-K600 IonicContact OE1-NZ 2.66Å; E511-K600 PolarHBondContact OE1-NZ 3.33Å; E511-K600 VanDerWaalsContact OE2-CD 3.29Å; E511-K600 WeakPolarHBondContact OE2-CD 3.5Å; E511-K600 IonicContact OE2-NZ 3.76Å; I513-K600 HydrophobicContact CD1-CB 4.41Å; I513-K600 HydrophobicContact CD1-CG 3.73Å; V598-K600 HydrophobicContact CG1-CG 4.4Å
601V95.7Very high84.3Confident32 Ų3281.2 Ų81.219%0.19444%0.439CS..EExtended strand (participates in β ladder)trans-104.1112.1178.2-176.50000107.8A479 N483 E511 A512 F514 I599 L603A479-V601 HydrophobicContact CB-CB 4.25Å; A479-V601 HydrophobicContact CB-CG1 3.81Å; N483-V601 WeakPolarHBondContact ND2-CG2 3.37Å; E511-V601 CarbonylContact C-O 3.58Å; E511-V601 VanDerWaalsContact CA-O 3.24Å; E511-V601 WeakPolarHBondContact CA-O 3.47Å; A512-V601 HydrophobicContact CB-CB 4.3Å; A512-V601 PolarHBondContact N-O 2.75Å; A512-V601 PolarHBondContact O-N 2.95Å; F514-V601 HydrophobicContact CD2-CG2 3.97Å; F514-V601 HydrophobicContact CE2-CB 4.27Å; F514-V601 HydrophobicContact CE2-CG2 3.7Å; I599-V601 HydrophobicContact CG2-CG2 4.05Å; V601-L603 PolarHBondContact O-N 2.96Å
602P96.6Very high86.8Confident111 Ų11177.8 Ų77.872%0.72141%0.409SS*.EExtended strand (participates in β ladder)trans-62.6135.1177.726.6-33.3000110.2
603L96.6Very high89.1Confident17 Ų1770.9 Ų70.99%0.08938%0.384CS..PPolyproline II helixtrans-98.5157.8177.2-62.6176.3000110.7V476 A479 V493 A510 A512 V601V476-L603 HydrophobicContact CG2-CD1 4.01Å; V476-L603 HydrophobicContact CG2-CD2 4.41Å; A479-L603 HydrophobicContact CB-CD2 4.11Å; V493-L603 HydrophobicContact CB-CD1 4.21Å; V493-L603 HydrophobicContact CG1-CD1 3.37Å; V493-L603 HydrophobicContact CG2-CD1 3.86Å; A510-L603 HydrophobicContact CB-CB 4.26Å; A510-L603 HydrophobicContact CB-CD1 4.22Å; A510-L603 PolarHBondContact O-N 2.89Å; A512-L603 HydrophobicContact CB-CD1 4.46Å; A512-L603 HydrophobicContact CB-CD2 4.07Å; A512-L603 HydrophobicContact CB-CG 4.37Å; V601-L603 PolarHBondContact O-N 2.96Å
604T96.4Very high90.9Very high55 Ų5572.7 Ų72.734%0.33738%0.376SS..EExtended strand (participates in β ladder)trans-80.1126.9170.9-58.30000108.3F474 K475F474-T604 HydrophobicContact CD2-CG2 4.44Å; F474-T604 PolarHBondContact N-O 2.83Å; F474-T604 PolarHBondContact O-N 2.82Å; K475-T604 WeakPolarHBondContact CE-OG1 3.21Å
605V96.3Very high92.3Very high38 Ų3867.3 Ų67.323%0.2335%0.354CS..EExtended strand (participates in β ladder)trans-123.4121.2-177.6-173.50000109V471 D472 L473 V507 A510V471-V605 HydrophobicContact CG1-CG1 3.52Å; D472-V605 WeakPolarHBondContact O-CA 3.34Å; L473-V605 HydrophobicContact CD2-CG1 4.4Å; L473-V605 HydrophobicContact CD2-CG2 3.96Å; V507-V605 HydrophobicContact CG1-CG1 3.92Å; A510-V605 HydrophobicContact CB-CG2 3.67Å
606E96Very high93.1Very high114 Ų11460.7 Ų60.753%0.53333%0.331SS..EExtended strand (participates in β ladder)trans-109.8149.9168.1-60.6-172.716700109V471 D472 F474V471-E606 CarbonylContact C-O 3.47Å; V471-E606 WeakPolarHBondContact CA-O 3.5Å; D472-E606 HydrophobicContact CB-CB 4.48Å; D472-E606 PolarHBondContact N-O 3.25Å; D472-E606 PolarHBondContact O-N 2.8Å; F474-E606 HydrophobicContact CD2-CG 4.29Å; F474-E606 HydrophobicContact CE2-CB 4.05Å; F474-E606 HydrophobicContact CE2-CG 3.84Å
607H93Very high93.7Very high75 Ų7562.3 Ų62.335%0.34734%0.344SS..EExtended strand (participates in β ladder)trans-147.6150.3176.357.5-85.7000111.4T469 R470 V471T469-H607 HydrophobicContact CG2-CB 3.88Å; R470-H607 CarbonylContact O-C 3.6Å; R470-H607 WeakPolarHBondContact O-CA 3.49Å; R470-H607 VanDerWaalsContact O-CB 3.27Å; R470-H607 WeakPolarHBondContact O-CB 3.32Å; V471-H607 HydrophobicContact CG2-CB 4.29Å
608A93.2Very high93.9Very high44 Ų4466 Ų6636%0.36436%0.357SS..EExtended strand (participates in β ladder)trans-136.7127.5178.700000110.4T469 R470 M610T469-A608 CarbonylContact C-O 3.5Å; T469-A608 VanDerWaalsContact CA-O 3.31Å; T469-A608 WeakPolarHBondContact CA-O 3.46Å; R470-A608 PolarHBondContact N-O 2.9Å; R470-A608 PolarHBondContact O-N 2.69Å; A608-M610 PolarHBondContact O-N 3Å
609E93.9Very high94Very high36 Ų3664.6 Ų64.617%0.16834%0.344CS..EExtended strand (participates in β ladder)trans-65.9124.3172-68.678.1-177.800110.9I468 I612 R614I468-E609 CarbonylContact O-C 3.48Å; I468-E609 WeakPolarHBondContact O-CA 3.21Å; E609-I612 WeakPolarHBondContact CB-O 3.34Å; E609-R614 WeakPolarHBondContact OE2-CB 3.49Å
610M93.8Very high94.1Very high91 Ų9164 Ų6445%0.44834%0.34SS..SBendtrans-99.4-20.3-173-63.3-60.8-62.400113N467 I468 R470 A608N467-M610 HydrophobicContact CB-CB 3.86Å; I468-M610 PolarHBondContact O-N 2.66Å; R470-M610 HydrophobicContact CB-CG 3.97Å; R470-M610 HydrophobicContact CB-SD 3.9Å; A608-M610 PolarHBondContact O-N 3Å
611D94Very high93.9Very high6 Ų663.8 Ų63.83%0.03234%0.344CS..SBendtrans-74.5-58.7175.645.518.4000110.8K72 A149 R152 N467K72-D611 WeakPolarHBondContact CE-O 3.45Å; K72-D611 PolarHBondContact NZ-O 3.35Å; A149-D611 HydrophobicContact CB-CB 4.32Å; R152-D611 IonicContact CZ-OD1 3.52Å; R152-D611 IonicContact CZ-OD2 2.62Å; R152-D611 IonicContact NH2-OD1 2.97Å; R152-D611 PolarHBondContact NH2-OD1 2.56Å; R152-D611 IonicContact NH2-OD2 3.53Å; R152-D611 PolarHBondContact NH2-OD2 3.22Å; N467-D611 WeakPolarHBondContact O-CA 3.45Å; N467-D611 VanDerWaalsContact O-CB 3.29Å; N467-D611 WeakPolarHBondContact O-CB 3.41Å; N467-D611 PolarHBondContact O-N 2.77Å; N467-D611 VanDerWaalsContact O-N 3.12Å
612I93.7Very high93.7Very high13 Ų1364.9 Ų64.97%0.06736%0.357CS..SBendtrans-136.2124.1174.7-66.4-176.4000107.5G70 R96 T98 A149 E609 R614G70-I612 WeakPolarHBondContact O-CD1 3.45Å; R96-I612 HydrophobicContact CB-CG2 4.38Å; T98-I612 HydrophobicContact CG2-CD1 3.82Å; T98-I612 HydrophobicContact CG2-CG1 4.33Å; T98-I612 HydrophobicContact CG2-CG2 3.68Å; A149-I612 HydrophobicContact CB-CD1 4Å; A149-I612 HydrophobicContact CB-CG1 4.21Å; E609-I612 WeakPolarHBondContact CB-O 3.34Å; I612-R614 PolarHBondContact O-N 3.5Å
613A91.6Very high93.4Very high44 Ų4459.7 Ų59.736%0.36432%0.323SS..PPolyproline II helixtrans-54.213717800000110.9R96R96-A613 HydrophobicContact CG-CB 4.35Å; R96-A613 PolarHBondContact NE-O 3.04Å
614R90.2Very high93.1Very high173 Ų17360.4 Ų60.465%0.65333%0.328SS*.PPolyproline II helixtrans-57.8139.7176.1-173.3172.4176.3171.9-1.2110.1E609 I612 S616E609-R614 WeakPolarHBondContact OE2-CB 3.49Å; I612-R614 PolarHBondContact O-N 3.5Å; R614-S616 PolarHBondContact O-N 3.44Å
615V92.9Very high92.5Very high20 Ų2059.2 Ų59.212%0.12132%0.324CS..PPolyproline II helixtrans-62132.1172.9-680000109.9T156 W619 M620T156-V615 HydrophobicContact CG2-CG1 4.23Å; T156-V615 HydrophobicContact CG2-CG2 4.2Å; V615-W619 HydrophobicContact CB-CE3 3.69Å; V615-W619 HydrophobicContact CB-CZ3 4.08Å; V615-W619 HydrophobicContact CG1-CD2 4.37Å; V615-W619 HydrophobicContact CG1-CE3 3.59Å; V615-W619 HydrophobicContact CG1-CH2 4.37Å; V615-W619 HydrophobicContact CG1-CZ3 3.59Å; V615-M620 HydrophobicContact CG2-CE 3.81Å
616S92.9Very high91.6Very high47 Ų4757.7 Ų57.733%0.32932%0.315SS..PPolyproline II helixtrans-69.4153.8176.370.30000110.5R614 E618 W619 M620R614-S616 PolarHBondContact O-N 3.44Å; S616-E618 PolarHBondContact O-N 2.87Å; S616-W619 PolarHBondContact O-N 2.94Å; S616-W619 WeakPolarHBondContact OG-CB 3.42Å; S616-W619 PolarHBondContact OG-N 3.44Å; S616-M620 WeakPolarHBondContact O-CB 2.84Å; S616-M620 PolarHBondContact O-N 3.48Å
617S93.4Very high90.8Very high94 Ų9452.3 Ų52.366%0.65729%0.29SS*.Hα-helixtrans-58.6-34.9174.3-57.90000111.7M620 N621S617-M620 PolarHBondContact O-N 3.24Å; S617-N621 VanDerWaalsContact O-CB 3.25Å; S617-N621 WeakPolarHBondContact O-CB 3.12Å; S617-N621 PolarHBondContact O-N 3.01Å; S617-N621 PolarHBondContact O-ND2 3Å
618E93.2Very high89.9Confident148 Ų14853 Ų5369%0.69229%0.29SS*.Hα-helixtrans-61.6-50.6174.2-67.3164.2-177.600111.8S616 M620 N621 A622S616-E618 PolarHBondContact O-N 2.87Å; E618-M620 VanDerWaalsContact C-N 3.34Å; E618-M620 PolarHBondContact O-N 3.26Å; E618-N621 PolarHBondContact O-N 2.99Å; E618-A622 VanDerWaalsContact O-CB 3.3Å; E618-A622 WeakPolarHBondContact O-CB 3.25Å; E618-A622 PolarHBondContact O-N 3.1Å
619W93.1Very high88.5Confident44 Ų4453.9 Ų53.917%0.16729%0.29CS..Hα-helixtrans-65.6-38.8178.6-176.893.3000111.6H111 E113 Q114 T156 I160 V615 S616 A622 S623H111-W619 HydrophobicContact CB-CZ2 4Å; H111-W619 AromaticContact CE1-NE1 3.53Å; H111-W619 AromaticContact CG-CZ2 3.63Å; H111-W619 AromaticContact ND1-CZ2 3.63Å; H111-W619 AromaticContact ND1-NE1 3.89Å; H111-W619 AromaticContact NE2-NE1 3.91Å; E113-W619 HydrophobicContact CB-CH2 4.42Å; Q114-W619 HydrophobicContact CG-CH2 4.32Å; Q114-W619 HydrophobicContact CG-CZ2 4.31Å; T156-W619 HydrophobicContact CG2-CZ3 4Å; I160-W619 HydrophobicContact CD1-CH2 3.99Å; I160-W619 HydrophobicContact CD1-CZ3 3.93Å; V615-W619 HydrophobicContact CB-CE3 3.69Å; V615-W619 HydrophobicContact CB-CZ3 4.08Å; V615-W619 HydrophobicContact CG1-CD2 4.37Å; V615-W619 HydrophobicContact CG1-CE3 3.59Å; V615-W619 HydrophobicContact CG1-CH2 4.37Å; V615-W619 HydrophobicContact CG1-CZ3 3.59Å; S616-W619 PolarHBondContact O-N 2.94Å; S616-W619 WeakPolarHBondContact OG-CB 3.42Å; S616-W619 PolarHBondContact OG-N 3.44Å; W619-A622 PolarHBondContact O-N 3.23Å; W619-S623 WeakPolarHBondContact CH2-OG 3.4Å; W619-S623 WeakPolarHBondContact CZ2-OG 3.17Å; W619-S623 WeakPolarHBondContact CZ3-OG 3.16Å; W619-S623 VanDerWaalsContact O-CB 3.22Å; W619-S623 WeakPolarHBondContact O-CB 3.29Å; W619-S623 PolarHBondContact O-N 3.19Å; W619-S623 PolarHBondContact O-OG 3.08Å
620M94.1Very high86.9Confident27 Ų2755.9 Ų55.913%0.13331%0.305CS..Hα-helixtrans-62.4-48.4175178.664.181.700110.6T156 Q159 I160 V615 S616 S617 E618 A622 S623 V624T156-M620 HydrophobicContact CG2-CE 3.9Å; Q159-M620 HydrophobicContact CB-CE 4.21Å; Q159-M620 HydrophobicContact CB-SD 4.46Å; I160-M620 HydrophobicContact CG1-SD 3.76Å; V615-M620 HydrophobicContact CG2-CE 3.81Å; S616-M620 WeakPolarHBondContact O-CB 2.84Å; S616-M620 PolarHBondContact O-N 3.48Å; S617-M620 PolarHBondContact O-N 3.24Å; E618-M620 VanDerWaalsContact C-N 3.34Å; E618-M620 PolarHBondContact O-N 3.26Å; M620-A622 PolarHBondContact O-N 2.83Å; M620-S623 PolarHBondContact O-N 2.74Å; M620-V624 HydrophobicContact CG-CG2 4.41Å; M620-V624 WeakPolarHBondContact O-CB 3.45Å; M620-V624 VanDerWaalsContact O-CG2 3.26Å; M620-V624 WeakPolarHBondContact O-CG2 3.48Å; M620-V624 PolarHBondContact O-N 3.3Å; M620-V624 HydrophobicContact SD-CG2 4.16Å
621N92.1Very high85.5Confident110 Ų11055 Ų5559%0.58830%0.297SS*.Hα-helixtrans-63.5-41.7178.5-71.7-18.4000111.4S617 E618 V624 A625S617-N621 VanDerWaalsContact O-CB 3.25Å; S617-N621 WeakPolarHBondContact O-CB 3.12Å; S617-N621 PolarHBondContact O-N 3.01Å; S617-N621 PolarHBondContact O-ND2 3Å; E618-N621 PolarHBondContact O-N 2.99Å; N621-V624 PolarHBondContact O-N 3.33Å; N621-A625 VanDerWaalsContact O-CB 3.28Å; N621-A625 WeakPolarHBondContact O-CB 3.41Å; N621-A625 PolarHBondContact O-N 3.12Å
622A89.7Confident84.2Confident56 Ų5654.8 Ų54.846%0.46330%0.296SS..Hα-helixtrans-63.2-41174.200000111.7E618 W619 M620 A625 S626E618-A622 VanDerWaalsContact O-CB 3.3Å; E618-A622 WeakPolarHBondContact O-CB 3.25Å; E618-A622 PolarHBondContact O-N 3.1Å; W619-A622 PolarHBondContact O-N 3.23Å; M620-A622 PolarHBondContact O-N 2.83Å; A622-A625 CarbonylContact O-C 3.54Å; A622-A625 PolarHBondContact O-N 3.34Å; A622-S626 WeakPolarHBondContact O-CB 3.1Å; A622-S626 PolarHBondContact O-N 3.31Å; A622-S626 PolarHBondContact O-OG 3Å
623S91.3Very high82.9Confident1 Ų160.7 Ų60.71%0.00732%0.321CS..Hα-helixtrans-69.4-38.2176.4-65.20000112.7Q114 W619 M620 A625 S626 V627Q114-S623 PolarHBondContact NE2-OG 2.95Å; W619-S623 WeakPolarHBondContact CH2-OG 3.4Å; W619-S623 WeakPolarHBondContact CZ2-OG 3.17Å; W619-S623 WeakPolarHBondContact CZ3-OG 3.16Å; W619-S623 VanDerWaalsContact O-CB 3.22Å; W619-S623 WeakPolarHBondContact O-CB 3.29Å; W619-S623 PolarHBondContact O-N 3.19Å; W619-S623 PolarHBondContact O-OG 3.08Å; M620-S623 PolarHBondContact O-N 2.74Å; S623-A625 VanDerWaalsContact C-N 3.28Å; S623-S626 WeakPolarHBondContact CA-OG 3.42Å; S623-S626 PolarHBondContact O-N 3.27Å; S623-S626 PolarHBondContact O-OG 2.94Å; S623-V627 VanDerWaalsContact O-CB 3.28Å; S623-V627 WeakPolarHBondContact O-CB 3.28Å; S623-V627 WeakPolarHBondContact O-CG2 3.26Å; S623-V627 PolarHBondContact O-N 3.08Å
624V89.3Confident82Confident32 Ų3263.1 Ų63.119%0.19433%0.328CS..Hα-helixtrans-66.6-34.2171.3169.50000110.2M620 N621 V627 R628 T629M620-V624 HydrophobicContact CG-CG2 4.41Å; M620-V624 WeakPolarHBondContact O-CB 3.45Å; M620-V624 VanDerWaalsContact O-CG2 3.26Å; M620-V624 WeakPolarHBondContact O-CG2 3.48Å; M620-V624 PolarHBondContact O-N 3.3Å; M620-V624 HydrophobicContact SD-CG2 4.16Å; N621-V624 PolarHBondContact O-N 3.33Å; V624-V627 CarbonylContact O-C 3.5Å; V624-R628 HydrophobicContact CG1-CB 4.31Å; V624-R628 HydrophobicContact CG1-CG 4.17Å; V624-R628 VanDerWaalsContact O-CA 3.3Å; V624-R628 WeakPolarHBondContact O-CA 3.23Å; V624-R628 VanDerWaalsContact O-CB 3.24Å; V624-R628 WeakPolarHBondContact O-CB 3.44Å; V624-R628 PolarHBondContact O-N 3.04Å; V624-T629 PolarHBondContact O-N 2.94Å
625A83.9Confident81.2Confident30 Ų3055.8 Ų55.825%0.24830%0.301CS..Iπ-helixtrans-74.6-38.9176.300000112.8N621 A622 S623 T629 T630 R631N621-A625 VanDerWaalsContact O-CB 3.28Å; N621-A625 WeakPolarHBondContact O-CB 3.41Å; N621-A625 PolarHBondContact O-N 3.12Å; A622-A625 CarbonylContact O-C 3.54Å; A622-A625 PolarHBondContact O-N 3.34Å; S623-A625 VanDerWaalsContact C-N 3.28Å; A625-T629 WeakPolarHBondContact CA-OG1 3.39Å; A625-T629 PolarHBondContact O-N 2.79Å; A625-T629 PolarHBondContact O-OG1 3.16Å; A625-T630 PolarHBondContact O-N 2.93Å; A625-R631 PolarHBondContact O-N 3.4Å
626S78.9Confident80.2Confident7 Ų756.6 Ų56.65%0.04930%0.303CS..Iπ-helixtrans-67.3-48.2176.771.40000110.4A622 S623 R631 L632A622-S626 WeakPolarHBondContact O-CB 3.1Å; A622-S626 PolarHBondContact O-N 3.31Å; A622-S626 PolarHBondContact O-OG 3Å; S623-S626 WeakPolarHBondContact CA-OG 3.42Å; S623-S626 PolarHBondContact O-N 3.27Å; S623-S626 PolarHBondContact O-OG 2.94Å; S626-R631 WeakPolarHBondContact O-CB 3.29Å; S626-L632 PolarHBondContact O-N 3.45Å
627V78Confident79.4Confident0 Ų056 Ų560%030%0.299CS..Iπ-helixtrans-73.7-88.5172.3-175.40000107.4Q114 A117 M118 I160 S623 V624 T629 L632Q114-V627 HydrophobicContact CB-CG2 4.3Å; A117-V627 HydrophobicContact CB-CG1 4.36Å; M118-V627 HydrophobicContact CE-CG2 4.22Å; M118-V627 HydrophobicContact CG-CG1 4.27Å; M118-V627 HydrophobicContact CG-CG2 4.38Å; I160-V627 HydrophobicContact CG2-CB 3.53Å; I160-V627 HydrophobicContact CG2-CG1 3.95Å; I160-V627 HydrophobicContact CG2-CG2 3.47Å; I160-V627 VanDerWaalsContact CG2-CG2 3.47Å; S623-V627 VanDerWaalsContact O-CB 3.28Å; S623-V627 WeakPolarHBondContact O-CB 3.28Å; S623-V627 WeakPolarHBondContact O-CG2 3.26Å; S623-V627 PolarHBondContact O-N 3.08Å; V624-V627 CarbonylContact O-C 3.5Å; V627-T629 PolarHBondContact O-N 2.99Å; V627-L632 HydrophobicContact CB-CD1 4.26Å; V627-L632 HydrophobicContact CG1-CD1 3.44Å; V627-L632 VanDerWaalsContact CG1-CD1 3.44Å; V627-L632 HydrophobicContact CG1-CG 4.35Å; V627-L632 WeakPolarHBondContact O-CB 3.46Å; V627-L632 WeakPolarHBondContact O-CD1 3.42Å; V627-L632 WeakPolarHBondContact O-CG 3.48Å; V627-L632 PolarHBondContact O-N 2.98Å
628R73.8Confident78.7Confident91 Ų9154.1 Ų54.134%0.34328%0.284SS..Iπ-helixtrans-62.9-43.1-163.8-51-170.2-174.9179.2-4.1118.4Q159 I160 V624Q159-R628 PolarHBondContact O-NH2 3.44Å; I160-R628 WeakPolarHBondContact O-CD 3.48Å; I160-R628 WeakPolarHBondContact O-CG 3.39Å; I160-R628 PolarHBondContact O-NE 3.24Å; V624-R628 HydrophobicContact CG1-CB 4.31Å; V624-R628 HydrophobicContact CG1-CG 4.17Å; V624-R628 VanDerWaalsContact O-CA 3.3Å; V624-R628 WeakPolarHBondContact O-CA 3.23Å; V624-R628 VanDerWaalsContact O-CB 3.24Å; V624-R628 WeakPolarHBondContact O-CB 3.44Å; V624-R628 PolarHBondContact O-N 3.04Å
629T64.6Low77.9Confident61 Ų6148 Ų4837%0.37425%0.254SS..Iπ-helixtrans-102.4-42-158.1720000115.8V624 A625 V627 K633V624-T629 PolarHBondContact O-N 2.94Å; A625-T629 WeakPolarHBondContact CA-OG1 3.39Å; A625-T629 PolarHBondContact O-N 2.79Å; A625-T629 PolarHBondContact O-OG1 3.16Å; V627-T629 PolarHBondContact O-N 2.99Å; T629-K633 VanDerWaalsContact O-CB 3.3Å; T629-K633 WeakPolarHBondContact O-CB 3.49Å; T629-K633 WeakPolarHBondContact O-CD 3.15Å; T629-K633 WeakPolarHBondContact O-CE 3.46Å; T629-K633 WeakPolarHBondContact O-CG 3.39Å
630T60.4Low77.3Confident78 Ų7849.2 Ų49.248%0.47926%0.263SS..THydrogen-bonded Turntrans-113.5-59.7-168-51.70000110.5A625 K633 N634A625-T630 PolarHBondContact O-N 2.93Å; T630-K633 PolarHBondContact O-N 3.45Å; T630-N634 WeakPolarHBondContact O-CB 3.3Å; T630-N634 VanDerWaalsContact O-CG 3.24Å; T630-N634 PolarHBondContact O-N 3.39Å; T630-N634 PolarHBondContact O-ND2 3.33Å
631R65.4Low76.8Confident72 Ų7256 Ų5627%0.27229%0.287SS..Hα-helixtrans-74.2-44.9-175.9-43.4174.4-175.9162.6-6.1111.2E106 A625 S626 K633 N634 F635E106-R631 VanDerWaalsContact CD-NH2 3.28Å; E106-R631 IonicContact OE1-CZ 2.85Å; E106-R631 IonicContact OE1-NH1 3.98Å; E106-R631 PolarHBondContact OE1-NH1 2.88Å; E106-R631 VanDerWaalsContact OE1-NH1 3.12Å; E106-R631 IonicContact OE1-NH2 3.97Å; E106-R631 PolarHBondContact OE1-NH2 3.39Å; E106-R631 IonicContact OE2-CZ 3.96Å; E106-R631 IonicContact OE2-NE 3.69Å; E106-R631 PolarHBondContact OE2-NE 2.97Å; E106-R631 IonicContact OE2-NH1 3.25Å; E106-R631 PolarHBondContact OE2-NH1 3.49Å; E106-R631 IonicContact OE2-NH2 3.4Å; E106-R631 PolarHBondContact OE2-NH2 2.88Å; A625-R631 PolarHBondContact O-N 3.4Å; S626-R631 WeakPolarHBondContact O-CB 3.29Å; R631-K633 VanDerWaalsContact C-N 3.34Å; R631-K633 PolarHBondContact O-N 3.04Å; R631-N634 PolarHBondContact O-N 2.9Å; R631-F635 HydrophobicContact CB-CE2 4.19Å; R631-F635 HydrophobicContact CB-CZ 4.26Å; R631-F635 WeakPolarHBondContact O-CB 3.5Å; R631-F635 WeakPolarHBondContact O-CD1 3.19Å; R631-F635 WeakPolarHBondContact O-CG 2.94Å; R631-F635 PolarHBondContact O-N 3.47Å
632L64.7Low76.4Confident2 Ų254 Ų541%0.0127%0.272CS..Hα-helixtrans-61.2-40.9171.5-74.8173.1000111.9L44 S626 V627 N634 F635 E636L44-L632 HydrophobicContact CD1-CD2 3.02Å; L44-L632 HydrophobicContact CD1-CG 4.22Å; S626-L632 PolarHBondContact O-N 3.45Å; V627-L632 HydrophobicContact CB-CD1 4.26Å; V627-L632 HydrophobicContact CG1-CD1 3.44Å; V627-L632 VanDerWaalsContact CG1-CD1 3.44Å; V627-L632 HydrophobicContact CG1-CG 4.35Å; V627-L632 WeakPolarHBondContact O-CB 3.46Å; V627-L632 WeakPolarHBondContact O-CD1 3.42Å; V627-L632 WeakPolarHBondContact O-CG 3.48Å; V627-L632 PolarHBondContact O-N 2.98Å; L632-N634 VanDerWaalsContact C-N 3.25Å; L632-N634 PolarHBondContact O-N 3.3Å; L632-F635 PolarHBondContact O-N 2.78Å; L632-E636 WeakPolarHBondContact O-CA 3.39Å; L632-E636 WeakPolarHBondContact O-CB 3.04Å; L632-E636 PolarHBondContact O-N 3.12Å
633K68.1Low76.2Confident138 Ų13855.2 Ų55.260%0.627%0.268SS*.Hα-helixtrans-61.8-37.7178.2-74.8-165.9-163.5172.50111.9T629 T630 R631 S637T629-K633 VanDerWaalsContact O-CB 3.3Å; T629-K633 WeakPolarHBondContact O-CB 3.49Å; T629-K633 WeakPolarHBondContact O-CD 3.15Å; T629-K633 WeakPolarHBondContact O-CE 3.46Å; T629-K633 WeakPolarHBondContact O-CG 3.39Å; T630-K633 PolarHBondContact O-N 3.45Å; R631-K633 VanDerWaalsContact C-N 3.34Å; R631-K633 PolarHBondContact O-N 3.04Å; K633-S637 WeakPolarHBondContact O-CB 3.14Å; K633-S637 PolarHBondContact O-N 3.18Å; K633-S637 PolarHBondContact O-OG 3.49Å
634N71.5Confident76.1Confident94 Ų9461.6 Ų61.650%0.50330%0.295SS..Hα-helixtrans-66.6-49.7174.6-71.6-15.6000111.1T630 R631 L632 E636 S637 V638T630-N634 WeakPolarHBondContact O-CB 3.3Å; T630-N634 VanDerWaalsContact O-CG 3.24Å; T630-N634 PolarHBondContact O-N 3.39Å; T630-N634 PolarHBondContact O-ND2 3.33Å; R631-N634 PolarHBondContact O-N 2.9Å; L632-N634 VanDerWaalsContact C-N 3.25Å; L632-N634 PolarHBondContact O-N 3.3Å; N634-E636 PolarHBondContact O-N 3.29Å; N634-S637 WeakPolarHBondContact O-CB 3.32Å; N634-S637 PolarHBondContact O-N 2.9Å; N634-S637 VanDerWaalsContact O-N 3.12Å; N634-S637 PolarHBondContact O-OG 3.03Å; N634-V638 WeakPolarHBondContact O-CG2 2.91Å; N634-V638 PolarHBondContact O-N 2.96Å
635F73.9Confident76.2Confident19 Ų1962.2 Ų62.28%0.08330%0.295CS..Hα-helixtrans-65-39.3-179.7-61.2-9.9000111.7I39 K42 L44 R631 L632 V638 R639I39-F635 HydrophobicContact CG2-CE2 4.19Å; K42-F635 VanDerWaalsContact C-CD1 3.47Å; K42-F635 VanDerWaalsContact CA-CE1 3.43Å; K42-F635 HydrophobicContact CB-CD1 3.79Å; K42-F635 HydrophobicContact CB-CE1 3.41Å; K42-F635 VanDerWaalsContact CB-CE1 3.41Å; K42-F635 HydrophobicContact CB-CZ 4.33Å; K42-F635 HydrophobicContact CG-CE1 3.87Å; K42-F635 WeakPolarHBondContact O-CD1 3.34Å; K42-F635 WeakPolarHBondContact O-CE1 3.28Å; K42-F635 VanDerWaalsContact O-CG 3.28Å; K42-F635 WeakPolarHBondContact O-CG 3.29Å; L44-F635 HydrophobicContact CB-CB 4.49Å; L44-F635 HydrophobicContact CD1-CB 4.09Å; L44-F635 HydrophobicContact CD1-CD2 3.54Å; L44-F635 HydrophobicContact CD1-CE2 4.46Å; L44-F635 HydrophobicContact CD1-CG 4.32Å; L44-F635 HydrophobicContact CG-CB 4.39Å; L44-F635 HydrophobicContact CG-CD2 3.72Å; L44-F635 HydrophobicContact CG-CE2 4.47Å; L44-F635 HydrophobicContact CG-CG 4.49Å; R631-F635 HydrophobicContact CB-CE2 4.19Å; R631-F635 HydrophobicContact CB-CZ 4.26Å; R631-F635 WeakPolarHBondContact O-CB 3.5Å; R631-F635 WeakPolarHBondContact O-CD1 3.19Å; R631-F635 WeakPolarHBondContact O-CG 2.94Å; R631-F635 PolarHBondContact O-N 3.47Å; L632-F635 PolarHBondContact O-N 2.78Å; F635-V638 WeakPolarHBondContact O-CB 3.26Å; F635-V638 PolarHBondContact O-N 3.03Å; F635-R639 WeakPolarHBondContact O-CB 3.21Å; F635-R639 PolarHBondContact O-N 2.87Å
636E71.6Confident76.4Confident37 Ų3765.5 Ų65.517%0.17331%0.305CS..Hα-helixtrans-66.8-37.9172.5-162.479.1-120.600110.6R121 L632 N634 V638 R639 I640R121-E636 IonicContact CZ-OE2 2.66Å; R121-E636 IonicContact NH1-OE2 3.41Å; R121-E636 PolarHBondContact NH1-OE2 3.21Å; R121-E636 IonicContact NH2-OE2 3.78Å; R121-E636 PolarHBondContact NH2-OE2 3.45Å; L632-E636 WeakPolarHBondContact O-CA 3.39Å; L632-E636 WeakPolarHBondContact O-CB 3.04Å; L632-E636 PolarHBondContact O-N 3.12Å; N634-E636 PolarHBondContact O-N 3.29Å; E636-V638 VanDerWaalsContact C-N 3.3Å; E636-V638 PolarHBondContact O-N 3.39Å; E636-R639 PolarHBondContact O-N 3.19Å; E636-I640 HydrophobicContact CG-CD1 3.86Å; E636-I640 HydrophobicContact CG-CG1 4.31Å; E636-I640 VanDerWaalsContact O-CB 3.29Å; E636-I640 WeakPolarHBondContact O-CB 3.5Å; E636-I640 WeakPolarHBondContact O-CG1 3.4Å; E636-I640 PolarHBondContact O-N 3.32Å
637S76.4Confident77.1Confident34 Ų3471.4 Ų71.424%0.23833%0.33CS..Hα-helixtrans-65-36.5174.279.30000111.5K633 N634 R641K633-S637 WeakPolarHBondContact O-CB 3.14Å; K633-S637 PolarHBondContact O-N 3.18Å; K633-S637 PolarHBondContact O-OG 3.49Å; N634-S637 WeakPolarHBondContact O-CB 3.32Å; N634-S637 PolarHBondContact O-N 2.9Å; N634-S637 VanDerWaalsContact O-N 3.12Å; N634-S637 PolarHBondContact O-OG 3.03Å; S637-R641 VanDerWaalsContact O-CB 3.25Å; S637-R641 WeakPolarHBondContact O-CB 3.48Å; S637-R641 WeakPolarHBondContact O-CD 3.28Å; S637-R641 WeakPolarHBondContact O-CG 3.32Å; S637-R641 PolarHBondContact O-N 3.42Å
638V78.1Confident77.9Confident56 Ų5671.8 Ų71.834%0.33933%0.334SS..Hα-helixtrans-65.9-48172.8174.10000109.9N634 F635 E636 I640 R641 R642N634-V638 WeakPolarHBondContact O-CG2 2.91Å; N634-V638 PolarHBondContact O-N 2.96Å; F635-V638 WeakPolarHBondContact O-CB 3.26Å; F635-V638 PolarHBondContact O-N 3.03Å; E636-V638 VanDerWaalsContact C-N 3.3Å; E636-V638 PolarHBondContact O-N 3.39Å; V638-I640 PolarHBondContact O-N 3.38Å; V638-R641 PolarHBondContact O-N 2.94Å; V638-R642 PolarHBondContact O-N 2.78Å
639R76.7Confident78.8Confident18 Ų1869.1 Ų69.17%0.06833%0.327CS..Hα-helixtrans-57.6-49.3175.4-178.2179.2172.11761.1112E122 F635 E636 R642 Q643E122-R639 IonicContact OE1-CZ 3.41Å; E122-R639 IonicContact OE1-NH1 3.8Å; E122-R639 PolarHBondContact OE1-NH1 2.97Å; E122-R639 IonicContact OE1-NH2 3.87Å; E122-R639 PolarHBondContact OE1-NH2 3.31Å; E122-R639 IonicContact OE2-NH1 3.93Å; E122-R639 PolarHBondContact OE2-NH1 2.85Å; F635-R639 WeakPolarHBondContact O-CB 3.21Å; F635-R639 PolarHBondContact O-N 2.87Å; E636-R639 PolarHBondContact O-N 3.19Å; R639-R642 PolarHBondContact O-N 3.24Å; R639-Q643 WeakPolarHBondContact O-CB 3.47Å; R639-Q643 WeakPolarHBondContact O-CG 3.26Å; R639-Q643 PolarHBondContact O-N 2.82Å
640I80.4Confident80.2Confident71 Ų7171.9 Ų71.936%0.36434%0.336SS..Hα-helixtrans-63.1-42.4178.1-70.3166.8000110.6E636 V638 R642 Q643 K644E636-I640 HydrophobicContact CG-CD1 3.86Å; E636-I640 HydrophobicContact CG-CG1 4.31Å; E636-I640 VanDerWaalsContact O-CB 3.29Å; E636-I640 WeakPolarHBondContact O-CB 3.5Å; E636-I640 WeakPolarHBondContact O-CG1 3.4Å; E636-I640 PolarHBondContact O-N 3.32Å; V638-I640 PolarHBondContact O-N 3.38Å; I640-R642 VanDerWaalsContact C-N 3.35Å; I640-Q643 PolarHBondContact O-N 2.77Å; I640-K644 HydrophobicContact CG2-CD 4.08Å; I640-K644 HydrophobicContact CG2-CG 4.37Å; I640-K644 WeakPolarHBondContact O-CB 3.45Å; I640-K644 VanDerWaalsContact O-CG 3.27Å; I640-K644 WeakPolarHBondContact O-CG 3.18Å; I640-K644 PolarHBondContact O-N 3.36Å
641R84.6Confident81.9Confident170 Ų17072 Ų7264%0.64233%0.331SS*.Hα-helixtrans-62.4-43175.7-77.4169.4-170.7159.84.1111.2S637 V638 K644 K645S637-R641 VanDerWaalsContact O-CB 3.25Å; S637-R641 WeakPolarHBondContact O-CB 3.48Å; S637-R641 WeakPolarHBondContact O-CD 3.28Å; S637-R641 WeakPolarHBondContact O-CG 3.32Å; S637-R641 PolarHBondContact O-N 3.42Å; V638-R641 PolarHBondContact O-N 2.94Å; R641-K644 PolarHBondContact O-N 2.79Å; R641-K645 WeakPolarHBondContact O-CB 3.31Å; R641-K645 PolarHBondContact O-N 2.86Å
642R83.7Confident83.3Confident68 Ų6868.6 Ų68.626%0.25732%0.318SS..Hα-helixtrans-62.8-49.9175.5-169.1-174.870.8-154.8-16.5111E43 V638 R639 I640 K644 K645 E646E43-R642 IonicContact OE1-CZ 3.61Å; E43-R642 IonicContact OE1-NH1 2.83Å; E43-R642 PolarHBondContact OE1-NH1 2.95Å; E43-R642 IonicContact OE1-NH2 2.8Å; E43-R642 PolarHBondContact OE1-NH2 2.62Å; E43-R642 IonicContact OE2-CZ 3.75Å; E43-R642 IonicContact OE2-NH1 3.25Å; E43-R642 PolarHBondContact OE2-NH1 3Å; V638-R642 PolarHBondContact O-N 2.78Å; R639-R642 PolarHBondContact O-N 3.24Å; I640-R642 VanDerWaalsContact C-N 3.35Å; R642-K644 VanDerWaalsContact C-N 3.31Å; R642-K644 PolarHBondContact O-N 2.92Å; R642-K645 CarbonylContact O-C 3.51Å; R642-K645 WeakPolarHBondContact O-CA 3.37Å; R642-K645 WeakPolarHBondContact O-CB 3.29Å; R642-K645 PolarHBondContact O-N 2.82Å; R642-E646 WeakPolarHBondContact CD-OE1 3.47Å; R642-E646 HydrophobicContact CG-CG 4.17Å; R642-E646 WeakPolarHBondContact CG-OE1 3.27Å; R642-E646 IonicContact NE-OE1 2.94Å; R642-E646 PolarHBondContact NE-OE1 3.38Å; R642-E646 VanDerWaalsContact NE-OE1 3.07Å; R642-E646 IonicContact NE-OE2 3.68Å; R642-E646 WeakPolarHBondContact O-CB 3.27Å; R642-E646 WeakPolarHBondContact O-CG 3.24Å; R642-E646 PolarHBondContact O-N 2.78Å
643Q84.6Confident84.7Confident81 Ų8172.2 Ų72.238%0.37934%0.335SS..Hα-helixtrans-59.8-40.4178.2-74.4177.1-28.600112.4R639 I640 K645 K647R639-Q643 WeakPolarHBondContact O-CB 3.47Å; R639-Q643 WeakPolarHBondContact O-CG 3.26Å; R639-Q643 PolarHBondContact O-N 2.82Å; I640-Q643 PolarHBondContact O-N 2.77Å; Q643-K645 VanDerWaalsContact C-N 3.34Å; Q643-K647 WeakPolarHBondContact O-CB 3.29Å; Q643-K647 PolarHBondContact O-N 2.8Å
644K89Confident86Confident134 Ų13467.4 Ų67.458%0.58332%0.319SS*.Hα-helixtrans-64.1-39.3173.5-75.9-179.3178.2-170.90111.9I640 R641 R642 A648 A700I640-K644 HydrophobicContact CG2-CD 4.08Å; I640-K644 HydrophobicContact CG2-CG 4.37Å; I640-K644 WeakPolarHBondContact O-CB 3.45Å; I640-K644 VanDerWaalsContact O-CG 3.27Å; I640-K644 WeakPolarHBondContact O-CG 3.18Å; I640-K644 PolarHBondContact O-N 3.36Å; R641-K644 PolarHBondContact O-N 2.79Å; R642-K644 VanDerWaalsContact C-N 3.31Å; R642-K644 PolarHBondContact O-N 2.92Å; K644-A648 WeakPolarHBondContact O-CB 3.48Å; K644-A648 PolarHBondContact O-N 3.42Å; K644-A700 HydrophobicContact CB-CB 4.11Å
645K90.9Very high87.2Confident45 Ų4564.4 Ų64.420%0.19630%0.301CS..Hα-helixtrans-65.7-52.6175.1176.3176.7171.5153.90110.8R641 R642 Q643 K647 A648 V649 G695 H696 T698 A700 Y703R641-K645 WeakPolarHBondContact O-CB 3.31Å; R641-K645 PolarHBondContact O-N 2.86Å; R642-K645 CarbonylContact O-C 3.51Å; R642-K645 WeakPolarHBondContact O-CA 3.37Å; R642-K645 WeakPolarHBondContact O-CB 3.29Å; R642-K645 PolarHBondContact O-N 2.82Å; Q643-K645 VanDerWaalsContact C-N 3.34Å; K645-K647 VanDerWaalsContact C-N 3.29Å; K645-K647 PolarHBondContact O-N 2.79Å; K645-A648 PolarHBondContact O-N 2.93Å; K645-A648 VanDerWaalsContact O-N 3.15Å; K645-V649 HydrophobicContact CG-CG2 4.32Å; K645-V649 VanDerWaalsContact O-CG2 3.27Å; K645-V649 WeakPolarHBondContact O-CG2 3.46Å; K645-V649 PolarHBondContact O-N 3.19Å; K645-G695 PolarHBondContact NZ-O 3.1Å; K645-H696 PolarHBondContact NZ-O 3.09Å; K645-T698 VanDerWaalsContact CD-O 3.31Å; K645-T698 WeakPolarHBondContact CD-O 3.46Å; K645-T698 VanDerWaalsContact CE-O 3.26Å; K645-T698 WeakPolarHBondContact CE-O 3.36Å; K645-T698 PolarHBondContact NZ-O 2.95Å; K645-A700 HydrophobicContact CB-CB 4.29Å; K645-Y703 HydrophobicContact CD-CE2 4.44Å; K645-Y703 HydrophobicContact CG-CD2 4.37Å; K645-Y703 HydrophobicContact CG-CE2 4.08Å
646E89.6Confident88.2Confident99 Ų9964.4 Ų64.446%0.46330%0.302SS..Hα-helixtrans-55.9-44177.4-72.4167.6173.300111.2R642 V649 H650R642-E646 WeakPolarHBondContact CD-OE1 3.47Å; R642-E646 HydrophobicContact CG-CG 4.17Å; R642-E646 WeakPolarHBondContact CG-OE1 3.27Å; R642-E646 IonicContact NE-OE1 2.94Å; R642-E646 PolarHBondContact NE-OE1 3.38Å; R642-E646 VanDerWaalsContact NE-OE1 3.07Å; R642-E646 IonicContact NE-OE2 3.68Å; R642-E646 WeakPolarHBondContact O-CB 3.27Å; R642-E646 WeakPolarHBondContact O-CG 3.24Å; R642-E646 PolarHBondContact O-N 2.78Å; E646-V649 PolarHBondContact O-N 2.93Å; E646-H650 WeakPolarHBondContact O-CB 3.41Å; E646-H650 PolarHBondContact O-N 2.95Å
647K92.7Very high89.3Confident131 Ų13168.9 Ų68.957%0.5732%0.321SS*.Hα-helixtrans-61.8-47.7174.9-179.4172.3171.4172.70112.2Q643 K645 V649 H650 E651Q643-K647 WeakPolarHBondContact O-CB 3.29Å; Q643-K647 PolarHBondContact O-N 2.8Å; K645-K647 VanDerWaalsContact C-N 3.29Å; K645-K647 PolarHBondContact O-N 2.79Å; K647-V649 VanDerWaalsContact C-N 3.33Å; K647-V649 PolarHBondContact O-N 3.31Å; K647-H650 PolarHBondContact O-N 3.13Å; K647-E651 WeakPolarHBondContact CE-OE1 3.26Å; K647-E651 HydrophobicContact CG-CG 4.36Å; K647-E651 IonicContact NZ-OE1 3.43Å; K647-E651 WeakPolarHBondContact O-CB 3.35Å; K647-E651 WeakPolarHBondContact O-CG 3.34Å; K647-E651 PolarHBondContact O-N 2.83Å
648A94Very high90.1Very high9 Ų972.1 Ų72.17%0.07433%0.333CS..Hα-helixtrans-66-35179.500000112.8K644 K645 L652 A700K644-A648 WeakPolarHBondContact O-CB 3.48Å; K644-A648 PolarHBondContact O-N 3.42Å; K645-A648 PolarHBondContact O-N 2.93Å; K645-A648 VanDerWaalsContact O-N 3.15Å; A648-L652 WeakPolarHBondContact O-CB 3.31Å; A648-L652 PolarHBondContact O-N 3.44Å; A648-L652 VanDerWaalsContact O-N 3.11Å; A648-A700 HydrophobicContact CB-CB 4.27Å
649V93.6Very high90.9Very high35 Ų3569.6 Ų69.621%0.21232%0.317CS..Hα-helixtrans-63.3-50.2172.1171.60000109.9K645 E646 K647 E651 L652 E653 Y703K645-V649 HydrophobicContact CG-CG2 4.32Å; K645-V649 VanDerWaalsContact O-CG2 3.27Å; K645-V649 WeakPolarHBondContact O-CG2 3.46Å; K645-V649 PolarHBondContact O-N 3.19Å; E646-V649 PolarHBondContact O-N 2.93Å; K647-V649 VanDerWaalsContact C-N 3.33Å; K647-V649 PolarHBondContact O-N 3.31Å; V649-E651 PolarHBondContact O-N 3.28Å; V649-L652 PolarHBondContact O-N 3.07Å; V649-E653 WeakPolarHBondContact O-CB 3.3Å; V649-E653 PolarHBondContact O-N 2.91Å; V649-Y703 HydrophobicContact CG2-CD1 3.88Å; V649-Y703 HydrophobicContact CG2-CD2 3.74Å; V649-Y703 HydrophobicContact CG2-CE1 3.68Å; V649-Y703 HydrophobicContact CG2-CE2 3.54Å; V649-Y703 HydrophobicContact CG2-CG 3.91Å; V649-Y703 VanDerWaalsContact CG2-CZ 3.5Å
650H93.4Very high91.6Very high118 Ų11870 Ų7055%0.54633%0.326SS..Hα-helixtrans-62.6-44.1-179.3-17459.2000112.3E646 K647 L652 E653 S654E646-H650 WeakPolarHBondContact O-CB 3.41Å; E646-H650 PolarHBondContact O-N 2.95Å; K647-H650 PolarHBondContact O-N 3.13Å; H650-L652 VanDerWaalsContact C-N 3.34Å; H650-L652 PolarHBondContact O-N 3.1Å; H650-E653 PolarHBondContact O-N 3.12Å; H650-S654 WeakPolarHBondContact O-CB 3.49Å; H650-S654 PolarHBondContact O-N 3.01Å; H650-S654 PolarHBondContact O-OG 3.37Å
651E95.9Very high92.2Very high82 Ų8271.1 Ų71.138%0.38333%0.333SS..Hα-helixtrans-59.6-43.1175.6-74.3172.2163.500111.8K647 V649 F655 L707K647-E651 WeakPolarHBondContact CE-OE1 3.26Å; K647-E651 HydrophobicContact CG-CG 4.36Å; K647-E651 IonicContact NZ-OE1 3.43Å; K647-E651 WeakPolarHBondContact O-CB 3.35Å; K647-E651 WeakPolarHBondContact O-CG 3.34Å; K647-E651 PolarHBondContact O-N 2.83Å; V649-E651 PolarHBondContact O-N 3.28Å; E651-F655 VanDerWaalsContact O-CB 3.32Å; E651-F655 WeakPolarHBondContact O-CB 3.43Å; E651-F655 PolarHBondContact O-N 3.01Å; E651-L707 HydrophobicContact CB-CD2 4.11Å
652L96Very high92.7Very high0 Ų065.4 Ų65.40%031%0.313CS..Hα-helixtrans-66-45.8176.6178.862.1000112.2A648 V649 H650 F655 L656 V687 W690 M691 Y703 Q706 L707 L710A648-L652 WeakPolarHBondContact O-CB 3.31Å; A648-L652 PolarHBondContact O-N 3.44Å; A648-L652 VanDerWaalsContact O-N 3.11Å; V649-L652 PolarHBondContact O-N 3.07Å; H650-L652 VanDerWaalsContact C-N 3.34Å; H650-L652 PolarHBondContact O-N 3.1Å; L652-F655 PolarHBondContact O-N 3.03Å; L652-L656 HydrophobicContact CG-CD1 4.24Å; L652-L656 WeakPolarHBondContact O-CG 3.35Å; L652-L656 PolarHBondContact O-N 2.77Å; L652-V687 HydrophobicContact CD1-CG1 3.99Å; L652-V687 HydrophobicContact CD2-CG1 4.17Å; L652-V687 HydrophobicContact CG-CG1 4.48Å; L652-W690 HydrophobicContact CD2-CZ3 4.28Å; L652-M691 HydrophobicContact CD2-SD 4.2Å; L652-M691 HydrophobicContact CG-SD 4.45Å; L652-Y703 HydrophobicContact CD2-CD1 3.91Å; L652-Q706 HydrophobicContact CD1-CB 4.2Å; L652-Q706 HydrophobicContact CD2-CB 3.95Å; L652-L707 HydrophobicContact CD1-CB 4.05Å; L652-L707 HydrophobicContact CD1-CD1 4.44Å; L652-L710 HydrophobicContact CD1-CD1 3.8Å
653E94.6Very high93Very high77 Ų7762.4 Ų62.436%0.3630%0.302SS..Hα-helixtrans-62.5-48.3179.8-175.9176.5-163.500111.1V649 H650 F655 L656 F657 M691V649-E653 WeakPolarHBondContact O-CB 3.3Å; V649-E653 PolarHBondContact O-N 2.91Å; H650-E653 PolarHBondContact O-N 3.12Å; E653-F655 VanDerWaalsContact C-N 3.32Å; E653-F655 PolarHBondContact O-N 3.09Å; E653-L656 WeakPolarHBondContact O-CB 3.07Å; E653-L656 PolarHBondContact O-N 2.51Å; E653-F657 HydrophobicContact CG-CD2 3.8Å; E653-F657 HydrophobicContact CG-CE2 3.58Å; E653-F657 VanDerWaalsContact O-CD2 3.23Å; E653-F657 WeakPolarHBondContact O-CD2 3.32Å; E653-F657 PolarHBondContact O-N 2.95Å; E653-M691 HydrophobicContact CB-CE 4.35Å; E653-M691 HydrophobicContact CB-SD 4.45Å; E653-M691 HydrophobicContact CG-CE 4.32Å
654S95.7Very high93.2Very high37 Ų3766.3 Ų66.326%0.25932%0.32SS..Hα-helixtrans-57.7-44.3173.9-70.10000111.7H650 L656 F657 E658H650-S654 WeakPolarHBondContact O-CB 3.49Å; H650-S654 PolarHBondContact O-N 3.01Å; H650-S654 PolarHBondContact O-OG 3.37Å; S654-L656 PolarHBondContact O-N 3.06Å; S654-F657 PolarHBondContact O-N 3.36Å; S654-E658 WeakPolarHBondContact O-CB 3.49Å; S654-E658 WeakPolarHBondContact O-CG 3.37Å; S654-E658 PolarHBondContact O-N 3.15Å
655F96.4Very high93.4Very high32 Ų3264 Ų6414%0.1431%0.312CS..Hα-helixtrans-62.7-41177.8-169.1-85.6000112.5E651 L652 E653 T659 L707 L710 E711 T714 F718E651-F655 VanDerWaalsContact O-CB 3.32Å; E651-F655 WeakPolarHBondContact O-CB 3.43Å; E651-F655 PolarHBondContact O-N 3.01Å; L652-F655 PolarHBondContact O-N 3.03Å; E653-F655 VanDerWaalsContact C-N 3.32Å; E653-F655 PolarHBondContact O-N 3.09Å; F655-T659 WeakPolarHBondContact CE1-OG1 3.32Å; F655-T659 WeakPolarHBondContact O-CB 3.43Å; F655-T659 PolarHBondContact O-N 2.83Å; F655-T659 PolarHBondContact O-OG1 3.28Å; F655-L707 HydrophobicContact CB-CD1 3.52Å; F655-L707 HydrophobicContact CD1-CD1 4Å; F655-L707 HydrophobicContact CD2-CD1 3.72Å; F655-L707 HydrophobicContact CE2-CD1 4.4Å; F655-L707 HydrophobicContact CG-CD1 3.46Å; F655-L707 VanDerWaalsContact CG-CD1 3.46Å; F655-L710 HydrophobicContact CD1-CB 3.91Å; F655-L710 HydrophobicContact CD1-CD1 4.04Å; F655-L710 HydrophobicContact CE1-CB 3.56Å; F655-L710 HydrophobicContact CE1-CD1 4.46Å; F655-E711 HydrophobicContact CE2-CG 3.86Å; F655-E711 HydrophobicContact CZ-CG 3.93Å; F655-T714 WeakPolarHBondContact CZ-OG1 3.37Å; F655-F718 HydrophobicContact CE2-CE2 4.18Å; F655-F718 AromaticContact CZ-CE2 3.86Å; F655-F718 HydrophobicContact CZ-CE2 3.86Å
656L95.2Very high93.4Very high18 Ų1869.7 Ų69.79%0.09434%0.339CS..Hα-helixtrans-60.2-50.4176.2-79.9167000111.4L652 E653 S654 G660 L684 V687 R688 M691 L710L652-L656 HydrophobicContact CG-CD1 4.24Å; L652-L656 WeakPolarHBondContact O-CG 3.35Å; L652-L656 PolarHBondContact O-N 2.77Å; E653-L656 WeakPolarHBondContact O-CB 3.07Å; E653-L656 PolarHBondContact O-N 2.51Å; S654-L656 PolarHBondContact O-N 3.06Å; L656-G660 PolarHBondContact O-N 2.84Å; L656-L684 HydrophobicContact CD2-CB 4.18Å; L656-L684 HydrophobicContact CD2-CD2 3.84Å; L656-L684 WeakPolarHBondContact CD2-O 3.29Å; L656-V687 HydrophobicContact CD1-CG1 4.43Å; L656-V687 HydrophobicContact CD2-CB 4.37Å; L656-V687 HydrophobicContact CD2-CG1 4.41Å; L656-R688 HydrophobicContact CD1-CB 4.39Å; L656-M691 HydrophobicContact CD1-CE 4.07Å; L656-M691 HydrophobicContact CD1-SD 4.34Å; L656-L710 HydrophobicContact CD2-CD1 3.54Å; L656-L710 HydrophobicContact CG-CD1 3.93Å
657F93Very high93.5Very high131 Ų13169.3 Ų69.358%0.57534%0.337SS*.Hα-helixtrans-64.7-52.6179.2-79.2-68.2000111.8E653 S654 T659 G660 D661E653-F657 HydrophobicContact CG-CD2 3.8Å; E653-F657 HydrophobicContact CG-CE2 3.58Å; E653-F657 VanDerWaalsContact O-CD2 3.23Å; E653-F657 WeakPolarHBondContact O-CD2 3.32Å; E653-F657 PolarHBondContact O-N 2.95Å; S654-F657 PolarHBondContact O-N 3.36Å; F657-T659 VanDerWaalsContact C-N 3.32Å; F657-T659 PolarHBondContact O-N 3.47Å; F657-G660 PolarHBondContact O-N 3.44Å; F657-G660 VanDerWaalsContact O-N 3.16Å; F657-D661 PolarHBondContact O-N 3.3Å
658E94.6Very high93.5Very high103 Ų10364 Ų6448%0.48131%0.314SS..Hα-helixtrans-60.3-40.9-179-74.7-177.3-161.100112.5S654 K662S654-E658 WeakPolarHBondContact O-CB 3.49Å; S654-E658 WeakPolarHBondContact O-CG 3.37Å; S654-E658 PolarHBondContact O-N 3.15Å; E658-K662 WeakPolarHBondContact O-CB 3.28Å; E658-K662 WeakPolarHBondContact O-CD 3.38Å; E658-K662 WeakPolarHBondContact O-CG 3.33Å; E658-K662 PolarHBondContact O-N 2.94Å; E658-K662 IonicContact OE2-NZ 2.86Å; E658-K662 PolarHBondContact OE2-NZ 3.37Å
659T94.4Very high93.2Very high2 Ų265.9 Ų65.91%0.01233%0.329CS..Hα-helixtrans-69.4-38.8178.5-55.80000110.9F655 F657 K662 L663 L684 T714 F718F655-T659 WeakPolarHBondContact CE1-OG1 3.32Å; F655-T659 WeakPolarHBondContact O-CB 3.43Å; F655-T659 PolarHBondContact O-N 2.83Å; F655-T659 PolarHBondContact O-OG1 3.28Å; F657-T659 VanDerWaalsContact C-N 3.32Å; F657-T659 PolarHBondContact O-N 3.47Å; T659-K662 PolarHBondContact O-N 3.44Å; T659-L663 HydrophobicContact CG2-CD1 4.37Å; T659-L663 WeakPolarHBondContact O-CG 3.41Å; T659-L663 PolarHBondContact O-N 2.84Å; T659-L684 HydrophobicContact CG2-CD1 3.84Å; T659-L684 HydrophobicContact CG2-CD2 4.05Å; T659-T714 HydrophobicContact CG2-CG2 3.68Å; T659-F718 HydrophobicContact CG2-CZ 4.14Å
660G92.3Very high93.1Very high26 Ų2668 Ų6827%0.26834%0.339SS..Hα-helixtrans-57.1-52.9173.900000111.8L656 F657 K662 L663L656-G660 PolarHBondContact O-N 2.84Å; F657-G660 PolarHBondContact O-N 3.44Å; F657-G660 VanDerWaalsContact O-N 3.16Å; G660-K662 PolarHBondContact O-N 3.5Å; G660-L663 PolarHBondContact O-N 3.01Å
661D92.9Very high93.1Very high95 Ų9562.5 Ų62.551%0.50831%0.314SS..Hα-helixtrans-61.7-43.3178.8-71.7-3.6000111.7F657 L663 E664 Q665F657-D661 PolarHBondContact O-N 3.3Å; D661-L663 VanDerWaalsContact C-N 3.32Å; D661-L663 PolarHBondContact O-N 2.91Å; D661-E664 PolarHBondContact O-N 3.29Å; D661-E664 VanDerWaalsContact O-N 3.12Å; D661-Q665 WeakPolarHBondContact O-CG 3.44Å; D661-Q665 PolarHBondContact O-N 3.46Å
662K93.8Very high93Very high50 Ų5059.4 Ų59.422%0.21730%0.3CS..Hα-helixtrans-57.2-45.1176.4-76.6169.6-171.6159.30110.9E658 T659 G660 E664 Q665 Y668 F718E658-K662 WeakPolarHBondContact O-CB 3.28Å; E658-K662 WeakPolarHBondContact O-CD 3.38Å; E658-K662 WeakPolarHBondContact O-CG 3.33Å; E658-K662 PolarHBondContact O-N 2.94Å; E658-K662 IonicContact OE2-NZ 2.86Å; E658-K662 PolarHBondContact OE2-NZ 3.37Å; T659-K662 PolarHBondContact O-N 3.44Å; G660-K662 PolarHBondContact O-N 3.5Å; K662-E664 PolarHBondContact O-N 3.37Å; K662-E664 VanDerWaalsContact O-N 3.09Å; K662-Q665 WeakPolarHBondContact O-CB 3.37Å; K662-Q665 PolarHBondContact O-N 3.39Å; K662-Y668 HydrophobicContact CB-CD1 4.23Å; K662-Y668 HydrophobicContact CB-CD2 3.81Å; K662-Y668 HydrophobicContact CB-CE1 4.29Å; K662-Y668 HydrophobicContact CB-CE2 3.92Å; K662-Y668 HydrophobicContact CB-CG 3.99Å; K662-Y668 HydrophobicContact CD-CE1 4.24Å; K662-Y668 HydrophobicContact CD-CE2 4.22Å; K662-Y668 HydrophobicContact CG-CD2 4.11Å; K662-Y668 HydrophobicContact CG-CE1 4.4Å; K662-Y668 HydrophobicContact CG-CE2 3.69Å; K662-Y668 WeakPolarHBondContact O-CB 3.32Å; K662-Y668 WeakPolarHBondContact O-CD2 3.4Å; K662-F718 HydrophobicContact CD-CE1 3.69Å; K662-F718 HydrophobicContact CD-CZ 4.25Å
663L90.9Very high92.7Very high5 Ų561.9 Ų61.93%0.02631%0.313CS..Hα-helixtrans-62.9-17179.9-71.7168.3000114.8T659 G660 D661 V672 I680 R681 L684 I717T659-L663 HydrophobicContact CG2-CD1 4.37Å; T659-L663 WeakPolarHBondContact O-CG 3.41Å; T659-L663 PolarHBondContact O-N 2.84Å; G660-L663 PolarHBondContact O-N 3.01Å; D661-L663 VanDerWaalsContact C-N 3.32Å; D661-L663 PolarHBondContact O-N 2.91Å; L663-V672 HydrophobicContact CD2-CG2 4.44Å; L663-I680 HydrophobicContact CD1-CB 4.42Å; L663-I680 HydrophobicContact CD1-CG2 3.66Å; L663-R681 HydrophobicContact CD1-CG 4.11Å; L663-L684 HydrophobicContact CD1-CD1 3.66Å; L663-I717 HydrophobicContact CD2-CD1 3.53Å
664E89.2Confident92.5Very high163 Ų16365.7 Ų65.776%0.76233%0.331SS*.Hα-helixtrans-91.6-23.2174.7-62.4-170.1170.100112.8D661 K662D661-E664 PolarHBondContact O-N 3.29Å; D661-E664 VanDerWaalsContact O-N 3.12Å; K662-E664 PolarHBondContact O-N 3.37Å; K662-E664 VanDerWaalsContact O-N 3.09Å
665Q92.8Very high92.3Very high86 Ų8668.9 Ų68.940%0.40235%0.349SS..SBendtrans-68.6136176.9-68.1169.80.700110.6D661 K662 E667 Y668 A669D661-Q665 WeakPolarHBondContact O-CG 3.44Å; D661-Q665 PolarHBondContact O-N 3.46Å; K662-Q665 WeakPolarHBondContact O-CB 3.37Å; K662-Q665 PolarHBondContact O-N 3.39Å; Q665-E667 HydrophobicContact CB-CG 4.27Å; Q665-E667 PolarHBondContact O-N 3.46Å; Q665-E667 VanDerWaalsContact O-N 3.14Å; Q665-E667 PolarHBondContact OE1-OE1 3.33Å; Q665-Y668 HydrophobicContact CB-CD2 4.17Å; Q665-Y668 PolarHBondContact O-N 3.43Å; Q665-A669 WeakPolarHBondContact O-CB 3.32Å; Q665-A669 PolarHBondContact O-N 3.01Å
666Q90.5Very high92.1Very high164 Ų16469.1 Ų69.177%0.76635%0.351SS*.Hα-helixtrans-56.2-37.1-174.5-172.7177.8-0.500113Y668 A669 I670Q666-Y668 VanDerWaalsContact C-N 3.25Å; Q666-Y668 PolarHBondContact O-N 3.08Å; Q666-A669 PolarHBondContact O-N 3.43Å; Q666-I670 PolarHBondContact O-N 2.67Å
667E91.5Very high92Very high91 Ų9168.4 Ų68.443%0.42535%0.347SS..Hα-helixtrans-66.3-22.7-179.762.5-178.8-168.500114.3Q665 L671 H721 M724Q665-E667 HydrophobicContact CB-CG 4.27Å; Q665-E667 PolarHBondContact O-N 3.46Å; Q665-E667 VanDerWaalsContact O-N 3.14Å; Q665-E667 PolarHBondContact OE1-OE1 3.33Å; E667-L671 VanDerWaalsContact O-CD1 3.27Å; E667-L671 WeakPolarHBondContact O-CD1 3.32Å; E667-L671 WeakPolarHBondContact O-CG 3.07Å; E667-H721 IonicContact OE1-CE1 3.78Å; E667-H721 IonicContact OE2-CE1 2.79Å; E667-M724 HydrophobicContact CB-CE 4.35Å
668Y92.4Very high91.9Very high19 Ų1967.5 Ų67.58%0.07535%0.345CS..Hα-helixtrans-99.5-34.3174.4-74.5-84.3000111.6K662 Q665 Q666 I670 L671 I717 F718 H721K662-Y668 HydrophobicContact CB-CD1 4.23Å; K662-Y668 HydrophobicContact CB-CD2 3.81Å; K662-Y668 HydrophobicContact CB-CE1 4.29Å; K662-Y668 HydrophobicContact CB-CE2 3.92Å; K662-Y668 HydrophobicContact CB-CG 3.99Å; K662-Y668 HydrophobicContact CD-CE1 4.24Å; K662-Y668 HydrophobicContact CD-CE2 4.22Å; K662-Y668 HydrophobicContact CG-CD2 4.11Å; K662-Y668 HydrophobicContact CG-CE1 4.4Å; K662-Y668 HydrophobicContact CG-CE2 3.69Å; K662-Y668 WeakPolarHBondContact O-CB 3.32Å; K662-Y668 WeakPolarHBondContact O-CD2 3.4Å; Q665-Y668 HydrophobicContact CB-CD2 4.17Å; Q665-Y668 PolarHBondContact O-N 3.43Å; Q666-Y668 VanDerWaalsContact C-N 3.25Å; Q666-Y668 PolarHBondContact O-N 3.08Å; Y668-I670 PolarHBondContact O-N 3.19Å; Y668-L671 WeakPolarHBondContact O-CB 3.43Å; Y668-L671 PolarHBondContact O-N 3.34Å; Y668-I717 HydrophobicContact CD1-CD1 3.8Å; Y668-I717 HydrophobicContact CD1-CG1 4.01Å; Y668-I717 HydrophobicContact CG-CD1 4.43Å; Y668-F718 AromaticContact CE1-CD1 3.94Å; Y668-F718 HydrophobicContact CE1-CD1 3.94Å; Y668-F718 HydrophobicContact CE1-CE1 4.09Å; Y668-H721 HydrophobicContact CD1-CB 4.24Å; Y668-H721 HydrophobicContact CE1-CB 3.78Å; Y668-H721 AromaticContact CE1-CD2 3.94Å; Y668-H721 AromaticContact CE1-CG 3.56Å; Y668-H721 AromaticContact CE1-ND1 3.8Å; Y668-H721 AromaticContact CE2-CE1 3.84Å; Y668-H721 AromaticContact CZ-CD2 3.7Å; Y668-H721 AromaticContact CZ-CE1 3.72Å; Y668-H721 AromaticContact CZ-CG 3.69Å; Y668-H721 AromaticContact CZ-ND1 3.71Å; Y668-H721 AromaticContact CZ-NE2 3.72Å; Y668-H721 PolarHBondContact OH-CD2 2.97Å; Y668-H721 VanDerWaalsContact OH-CD2 3.29Å; Y668-H721 PolarHBondContact OH-NE2 2.87Å
669A88.3Confident91.9Very high49 Ų4968.5 Ų68.541%0.40535%0.345SS..Hα-helixtrans-58.9-30.8179.900000112.7Q665 Q666 L671Q665-A669 WeakPolarHBondContact O-CB 3.32Å; Q665-A669 PolarHBondContact O-N 3.01Å; Q666-A669 PolarHBondContact O-N 3.43Å; A669-L671 VanDerWaalsContact C-N 3.33Å
670I91.5Very high92Very high80 Ų8068.4 Ų68.441%0.4135%0.345SS..THydrogen-bonded Turntrans-74.9-19.9175.362.9174.6000113.7Q666 Y668 V672 M724 P788Q666-I670 PolarHBondContact O-N 2.67Å; Y668-I670 PolarHBondContact O-N 3.19Å; I670-V672 VanDerWaalsContact C-N 3.31Å; I670-V672 PolarHBondContact O-N 2.9Å; I670-M724 HydrophobicContact CD1-SD 3.96Å; I670-P788 WeakPolarHBondContact O-CB 3.25Å
671L93.5Very high92.1Very high3 Ų373.2 Ų73.22%0.01636%0.355CS..THydrogen-bonded Turntrans-90.64.9-172.1-57.9177.7000113.7E667 Y668 A669 I717 R720 H721 M724 P788 Y789E667-L671 VanDerWaalsContact O-CD1 3.27Å; E667-L671 WeakPolarHBondContact O-CD1 3.32Å; E667-L671 WeakPolarHBondContact O-CG 3.07Å; Y668-L671 WeakPolarHBondContact O-CB 3.43Å; Y668-L671 PolarHBondContact O-N 3.34Å; A669-L671 VanDerWaalsContact C-N 3.33Å; L671-I717 HydrophobicContact CB-CG1 4.32Å; L671-R720 HydrophobicContact CB-CB 4.45Å; L671-R720 HydrophobicContact CD1-CB 4.46Å; L671-R720 HydrophobicContact CD2-CB 4.39Å; L671-R720 PolarHBondContact O-NH1 2.71Å; L671-H721 HydrophobicContact CD1-CB 3.48Å; L671-H721 VanDerWaalsContact CD1-CB 3.48Å; L671-M724 HydrophobicContact CD1-CE 4.24Å; L671-M724 HydrophobicContact CD2-CE 4.44Å; L671-M724 HydrophobicContact CD2-SD 3.86Å; L671-P788 HydrophobicContact CD2-CB 4.3Å; L671-P788 WeakPolarHBondContact CD2-O 3.41Å; L671-Y789 WeakPolarHBondContact O-CA 3.45Å
672V92.6Very high92.2Very high17 Ų1771.4 Ų71.410%0.10335%0.353CS..SBendtrans-137.4131.6-173.8-177.30000108.7L663 I670 E676 I680 I717L663-V672 HydrophobicContact CD2-CG2 4.44Å; I670-V672 VanDerWaalsContact C-N 3.31Å; I670-V672 PolarHBondContact O-N 2.9Å; V672-E676 HydrophobicContact CG1-CB 3.79Å; V672-E676 HydrophobicContact CG1-CG 3.85Å; V672-I680 HydrophobicContact CG1-CD1 4.35Å; V672-I717 HydrophobicContact CG2-CB 3.91Å; V672-I717 HydrophobicContact CG2-CD1 3.35Å; V672-I717 HydrophobicContact CG2-CG1 3.55Å
673N91.7Very high92.3Very high52 Ų5272 Ų7228%0.27836%0.356SS..  trans-78.8164.3171.868.556.8000110.8T675 E676 G677 Y789N673-T675 VanDerWaalsContact C-N 3.32Å; N673-T675 PolarHBondContact O-N 3.28Å; N673-T675 PolarHBondContact OD1-N 3.36Å; N673-T675 VanDerWaalsContact OD1-N 3.15Å; N673-T675 PolarHBondContact OD1-OG1 3.48Å; N673-E676 PolarHBondContact O-N 2.93Å; N673-E676 WeakPolarHBondContact OD1-CB 3.21Å; N673-E676 PolarHBondContact OD1-N 3.14Å; N673-G677 PolarHBondContact O-N 3.2Å; N673-Y789 HydrophobicContact CB-CD1 4.41Å; N673-Y789 HydrophobicContact CB-CD2 4.03Å; N673-Y789 HydrophobicContact CB-CE2 4.43Å; N673-Y789 HydrophobicContact CB-CG 4.03Å
674E88.9Confident92.5Very high156 Ų15672.5 Ų72.573%0.72936%0.358SS*.Hα-helixtrans-53.9-46.1-175.8-169.5170.8-162.300112.8G677 E678E674-G677 PolarHBondContact O-N 3.03Å; E674-E678 WeakPolarHBondContact O-CB 3.37Å; E674-E678 WeakPolarHBondContact O-CG 3.32Å; E674-E678 PolarHBondContact O-N 2.98Å
675T91.9Very high92.8Very high104 Ų10468.5 Ų68.564%0.63834%0.342SS*.Hα-helixtrans-66.9-40-178.760.60000113.7N673 Y679N673-T675 VanDerWaalsContact C-N 3.32Å; N673-T675 PolarHBondContact O-N 3.28Å; N673-T675 PolarHBondContact OD1-N 3.36Å; N673-T675 VanDerWaalsContact OD1-N 3.15Å; N673-T675 PolarHBondContact OD1-OG1 3.48Å; T675-Y679 WeakPolarHBondContact O-CB 3.2Å; T675-Y679 PolarHBondContact O-N 3.32Å
676E92.4Very high92.9Very high38 Ų3867.6 Ų67.618%0.17835%0.345CS..Hα-helixtrans-69.3-40.8176.5-177.3-179.6-150.900110.1V672 N673 Y679 I680 R720V672-E676 HydrophobicContact CG1-CB 3.79Å; V672-E676 HydrophobicContact CG1-CG 3.85Å; N673-E676 PolarHBondContact O-N 2.93Å; N673-E676 WeakPolarHBondContact OD1-CB 3.21Å; N673-E676 PolarHBondContact OD1-N 3.14Å; E676-Y679 PolarHBondContact O-N 3.48Å; E676-I680 HydrophobicContact CG-CD1 4.02Å; E676-I680 VanDerWaalsContact O-CG1 3.27Å; E676-I680 WeakPolarHBondContact O-CG1 3.29Å; E676-I680 PolarHBondContact O-N 2.86Å; E676-R720 IonicContact OE1-CZ 3.37Å; E676-R720 IonicContact OE1-NH1 3.16Å; E676-R720 PolarHBondContact OE1-NH1 2.88Å; E676-R720 IonicContact OE1-NH2 3.74Å; E676-R720 PolarHBondContact OE1-NH2 3.46Å; E676-R720 IonicContact OE2-CZ 3.4Å; E676-R720 IonicContact OE2-NH1 3.86Å; E676-R720 PolarHBondContact OE2-NH1 2.99Å; E676-R720 IonicContact OE2-NH2 2.66Å
677G92.2Very high93.2Very high2 Ų259.9 Ų59.92%0.02131%0.309CS..Hα-helixtrans-66-43.5179.200000112.3N673 E674 Y679 I680 R681N673-G677 PolarHBondContact O-N 3.2Å; E674-G677 PolarHBondContact O-N 3.03Å; G677-Y679 VanDerWaalsContact C-N 3.35Å; G677-I680 PolarHBondContact O-N 2.79Å; G677-R681 WeakPolarHBondContact O-CB 3.37Å; G677-R681 VanDerWaalsContact O-CG 3.25Å; G677-R681 WeakPolarHBondContact O-CG 3.34Å; G677-R681 PolarHBondContact O-N 2.99Å
678E92.4Very high93.3Very high112 Ų11261.8 Ų61.852%0.52331%0.312SS..Hα-helixtrans-60.3-43.4171.3-74.6-179.3169.300111.9E674 R681 A682E674-E678 WeakPolarHBondContact O-CB 3.37Å; E674-E678 WeakPolarHBondContact O-CG 3.32Å; E674-E678 PolarHBondContact O-N 2.98Å; E678-R681 PolarHBondContact O-N 2.67Å; E678-A682 VanDerWaalsContact O-CB 3.24Å; E678-A682 WeakPolarHBondContact O-CB 3.4Å; E678-A682 PolarHBondContact O-N 3.33Å
679Y94.8Very high93.4Very high124 Ų12464.1 Ų64.149%0.48633%0.326SS..Hα-helixtrans-62.7-46.1177.9177.7-103.4000112.5T675 E676 G677 A682 K683 V713T675-Y679 WeakPolarHBondContact O-CB 3.2Å; T675-Y679 PolarHBondContact O-N 3.32Å; E676-Y679 PolarHBondContact O-N 3.48Å; G677-Y679 VanDerWaalsContact C-N 3.35Å; Y679-A682 PolarHBondContact O-N 3.09Å; Y679-K683 HydrophobicContact CE1-CG 4.13Å; Y679-K683 HydrophobicContact CE2-CG 4.11Å; Y679-K683 WeakPolarHBondContact O-CG 3.41Å; Y679-K683 PolarHBondContact O-N 3.17Å; Y679-K683 VanDerWaalsContact OH-CE 3.28Å; Y679-K683 WeakPolarHBondContact OH-CE 3.43Å; Y679-V713 HydrophobicContact CD1-CG1 4.04Å; Y679-V713 HydrophobicContact CE1-CG1 3.75Å; Y679-V713 HydrophobicContact CE1-CG2 4.08Å
680I95Very high93.7Very high1 Ų164.3 Ų64.31%0.00532%0.316CS..Hα-helixtrans-61.8-49.3177.4-64.1166.5000109.7L663 V672 E676 G677 A682 K683 L684 V713 T714 I717L663-I680 HydrophobicContact CD1-CB 4.42Å; L663-I680 HydrophobicContact CD1-CG2 3.66Å; V672-I680 HydrophobicContact CG1-CD1 4.35Å; E676-I680 HydrophobicContact CG-CD1 4.02Å; E676-I680 VanDerWaalsContact O-CG1 3.27Å; E676-I680 WeakPolarHBondContact O-CG1 3.29Å; E676-I680 PolarHBondContact O-N 2.86Å; G677-I680 PolarHBondContact O-N 2.79Å; I680-A682 VanDerWaalsContact C-N 3.32Å; I680-A682 PolarHBondContact O-N 3.5Å; I680-K683 PolarHBondContact O-N 2.93Å; I680-K683 VanDerWaalsContact O-N 3.1Å; I680-L684 HydrophobicContact CG2-CD1 3.98Å; I680-L684 HydrophobicContact CG2-CG 4.27Å; I680-L684 WeakPolarHBondContact O-CG 3.26Å; I680-L684 PolarHBondContact O-N 3.42Å; I680-V713 HydrophobicContact CB-CG1 4.39Å; I680-V713 HydrophobicContact CG1-CG1 3.85Å; I680-T714 HydrophobicContact CG2-CG2 3.82Å; I680-I717 HydrophobicContact CD1-CG2 4.34Å
681R94.2Very high93.7Very high126 Ų12662 Ų6248%0.47530%0.304SS..Hα-helixtrans-59.7-42178.7-71.2179.2-164109.40.2112L663 G677 E678 K683 L684 L685L663-R681 HydrophobicContact CD1-CG 4.11Å; G677-R681 WeakPolarHBondContact O-CB 3.37Å; G677-R681 VanDerWaalsContact O-CG 3.25Å; G677-R681 WeakPolarHBondContact O-CG 3.34Å; G677-R681 PolarHBondContact O-N 2.99Å; E678-R681 PolarHBondContact O-N 2.67Å; R681-K683 VanDerWaalsContact C-N 3.32Å; R681-K683 PolarHBondContact O-N 2.84Å; R681-L684 PolarHBondContact O-N 3.14Å; R681-L685 WeakPolarHBondContact O-CB 3.24Å; R681-L685 PolarHBondContact O-N 3.38Å
682A95.4Very high93.6Very high57 Ų5767.6 Ų67.647%0.47133%0.334SS..Hα-helixtrans-63.8-36.8176.100000112.3E678 Y679 I680 S686E678-A682 VanDerWaalsContact O-CB 3.24Å; E678-A682 WeakPolarHBondContact O-CB 3.4Å; E678-A682 PolarHBondContact O-N 3.33Å; Y679-A682 PolarHBondContact O-N 3.09Å; I680-A682 VanDerWaalsContact C-N 3.32Å; I680-A682 PolarHBondContact O-N 3.5Å; A682-S686 VanDerWaalsContact O-CB 3.31Å; A682-S686 WeakPolarHBondContact O-CB 3.34Å; A682-S686 PolarHBondContact O-N 3Å
683K96Very high93.5Very high64 Ų6474.2 Ų74.228%0.27836%0.364SS..Hα-helixtrans-71.2-42.3175.2-74.8-64.2-177.6-172.10113Y679 I680 R681 L685 S686 V687 L710 V713Y679-K683 HydrophobicContact CE1-CG 4.13Å; Y679-K683 HydrophobicContact CE2-CG 4.11Å; Y679-K683 WeakPolarHBondContact O-CG 3.41Å; Y679-K683 PolarHBondContact O-N 3.17Å; Y679-K683 VanDerWaalsContact OH-CE 3.28Å; Y679-K683 WeakPolarHBondContact OH-CE 3.43Å; I680-K683 PolarHBondContact O-N 2.93Å; I680-K683 VanDerWaalsContact O-N 3.1Å; R681-K683 VanDerWaalsContact C-N 3.32Å; R681-K683 PolarHBondContact O-N 2.84Å; K683-L685 VanDerWaalsContact C-N 3.32Å; K683-L685 PolarHBondContact O-N 3.17Å; K683-S686 PolarHBondContact O-N 3.49Å; K683-V687 WeakPolarHBondContact O-CG2 3.12Å; K683-V687 PolarHBondContact O-N 2.85Å; K683-L710 HydrophobicContact CB-CD2 4.47Å; K683-V713 HydrophobicContact CB-CG1 4.33Å; K683-V713 HydrophobicContact CG-CG1 4.38Å; K683-V713 HydrophobicContact CG-CG2 4.38Å
684L95.6Very high93.2Very high15 Ų1574.3 Ų74.38%0.07936%0.362CS..Hα-helixtrans-58.3-47.1173-67.5171000110.5L656 T659 L663 I680 R681 V687 R688 L710L656-L684 HydrophobicContact CD2-CB 4.18Å; L656-L684 HydrophobicContact CD2-CD2 3.84Å; L656-L684 WeakPolarHBondContact CD2-O 3.29Å; T659-L684 HydrophobicContact CG2-CD1 3.84Å; T659-L684 HydrophobicContact CG2-CD2 4.05Å; L663-L684 HydrophobicContact CD1-CD1 3.66Å; I680-L684 HydrophobicContact CG2-CD1 3.98Å; I680-L684 HydrophobicContact CG2-CG 4.27Å; I680-L684 WeakPolarHBondContact O-CG 3.26Å; I680-L684 PolarHBondContact O-N 3.42Å; R681-L684 PolarHBondContact O-N 3.14Å; L684-V687 PolarHBondContact O-N 2.87Å; L684-R688 WeakPolarHBondContact O-CB 2.94Å; L684-R688 PolarHBondContact O-N 3.19Å; L684-L710 HydrophobicContact CD2-CD1 4.07Å; L684-L710 HydrophobicContact CD2-CD2 3.94Å
685L94.8Very high92.7Very high79 Ų7968.8 Ų68.841%0.41435%0.348SS..Hα-helixtrans-60.5-48176.4-178.462000111.7R681 K683 V687 R688 D689R681-L685 WeakPolarHBondContact O-CB 3.24Å; R681-L685 PolarHBondContact O-N 3.38Å; K683-L685 VanDerWaalsContact C-N 3.32Å; K683-L685 PolarHBondContact O-N 3.17Å; L685-V687 VanDerWaalsContact C-N 3.28Å; L685-V687 PolarHBondContact O-N 3.38Å; L685-R688 WeakPolarHBondContact O-CB 3.43Å; L685-R688 PolarHBondContact O-N 2.91Å; L685-R688 VanDerWaalsContact O-N 3.15Å; L685-D689 VanDerWaalsContact O-CG 3.23Å; L685-D689 PolarHBondContact O-N 2.94Å
686S95.5Very high91.9Very high66 Ų6673.1 Ų73.146%0.46236%0.36SS..Hα-helixtrans-59.3-36.9178.4174.20000113.2A682 K683 W690A682-S686 VanDerWaalsContact O-CB 3.31Å; A682-S686 WeakPolarHBondContact O-CB 3.34Å; A682-S686 PolarHBondContact O-N 3Å; K683-S686 PolarHBondContact O-N 3.49Å; S686-W690 VanDerWaalsContact O-CB 3.32Å; S686-W690 WeakPolarHBondContact O-CB 3.08Å; S686-W690 PolarHBondContact O-N 3.02Å
687V95.6Very high91.4Very high2 Ų276.3 Ų76.31%0.01239%0.387CS..Hα-helixtrans-76.7-34.6177.6174.90000111.4L652 L656 K683 L684 L685 W690 M691 Q706 L709 L710L652-V687 HydrophobicContact CD1-CG1 3.99Å; L652-V687 HydrophobicContact CD2-CG1 4.17Å; L652-V687 HydrophobicContact CG-CG1 4.48Å; L656-V687 HydrophobicContact CD1-CG1 4.43Å; L656-V687 HydrophobicContact CD2-CB 4.37Å; L656-V687 HydrophobicContact CD2-CG1 4.41Å; K683-V687 WeakPolarHBondContact O-CG2 3.12Å; K683-V687 PolarHBondContact O-N 2.85Å; L684-V687 PolarHBondContact O-N 2.87Å; L685-V687 VanDerWaalsContact C-N 3.28Å; L685-V687 PolarHBondContact O-N 3.38Å; V687-W690 WeakPolarHBondContact O-CB 3.29Å; V687-W690 PolarHBondContact O-N 2.83Å; V687-M691 WeakPolarHBondContact O-CB 3.48Å; V687-M691 PolarHBondContact O-N 2.97Å; V687-Q706 HydrophobicContact CG1-CB 3.93Å; V687-Q706 HydrophobicContact CG1-CG 4.41Å; V687-L709 HydrophobicContact CG2-CD2 4.32Å; V687-L710 HydrophobicContact CB-CD1 4.15Å; V687-L710 HydrophobicContact CB-CD2 4.13Å; V687-L710 HydrophobicContact CB-CG 4.34Å; V687-L710 HydrophobicContact CG1-CD1 3.9Å; V687-L710 HydrophobicContact CG1-CG 4.33Å; V687-L710 HydrophobicContact CG2-CD1 4.39Å; V687-L710 HydrophobicContact CG2-CD2 3.68Å; V687-L710 HydrophobicContact CG2-CG 4.03Å
688R94.1Very high91.3Very high131 Ų13176.5 Ų76.549%0.49439%0.388SS..Hα-helixtrans-61.9-50.1172-173-179.273.9-178.75.4111.2L656 L684 L685 W690 M691 D692L656-R688 HydrophobicContact CD1-CB 4.39Å; L684-R688 WeakPolarHBondContact O-CB 2.94Å; L684-R688 PolarHBondContact O-N 3.19Å; L685-R688 WeakPolarHBondContact O-CB 3.43Å; L685-R688 PolarHBondContact O-N 2.91Å; L685-R688 VanDerWaalsContact O-N 3.15Å; R688-W690 VanDerWaalsContact C-N 3.29Å; R688-W690 PolarHBondContact O-N 3.08Å; R688-M691 WeakPolarHBondContact O-CA 3.46Å; R688-M691 WeakPolarHBondContact O-CB 3.49Å; R688-M691 PolarHBondContact O-N 2.96Å; R688-D692 PolarHBondContact O-N 3.15Å
689D94.5Very high91.2Very high68 Ų6874.4 Ų74.436%0.36438%0.382SS..Hα-helixtrans-61.6-41.4178-63.1-11.3000110.4L685 M691 D692 E693L685-D689 VanDerWaalsContact O-CG 3.23Å; L685-D689 PolarHBondContact O-N 2.94Å; D689-M691 VanDerWaalsContact C-N 3.3Å; D689-M691 PolarHBondContact O-N 2.57Å; D689-D692 PolarHBondContact O-N 3.35Å; D689-E693 WeakPolarHBondContact O-CG 3.48Å; D689-E693 PolarHBondContact O-N 2.72Å; D689-E693 VanDerWaalsContact O-N 3.14Å
690W94.5Very high91.1Very high53 Ų5369.8 Ų69.820%0.20137%0.37CS..Hα-helixtrans-57.2-44.1172174.688.5000111.7L652 S686 V687 R688 D692 E693 Q694 T698 E702 Y703 Q706L652-W690 HydrophobicContact CD2-CZ3 4.28Å; S686-W690 VanDerWaalsContact O-CB 3.32Å; S686-W690 WeakPolarHBondContact O-CB 3.08Å; S686-W690 PolarHBondContact O-N 3.02Å; V687-W690 WeakPolarHBondContact O-CB 3.29Å; V687-W690 PolarHBondContact O-N 2.83Å; R688-W690 VanDerWaalsContact C-N 3.29Å; R688-W690 PolarHBondContact O-N 3.08Å; W690-D692 VanDerWaalsContact C-N 3.35Å; W690-D692 PolarHBondContact O-N 3.01Å; W690-E693 PolarHBondContact O-N 3.16Å; W690-Q694 HydrophobicContact CD2-CG 3.88Å; W690-Q694 VanDerWaalsContact CE2-CD 3.41Å; W690-Q694 HydrophobicContact CE3-CG 3.88Å; W690-Q694 HydrophobicContact CH2-CG 3.72Å; W690-Q694 HydrophobicContact CZ2-CG 3.7Å; W690-Q694 HydrophobicContact CZ3-CG 3.79Å; W690-Q694 VanDerWaalsContact NE1-NE2 3.19Å; W690-Q694 WeakPolarHBondContact O-CG 3.4Å; W690-Q694 PolarHBondContact O-N 2.7Å; W690-Q694 PolarHBondContact O-NE2 3.44Å; W690-T698 HydrophobicContact CH2-CG2 3.85Å; W690-T698 HydrophobicContact CZ2-CG2 4.07Å; W690-E702 HydrophobicContact CH2-CB 4.34Å; W690-E702 HydrophobicContact CZ2-CB 4.35Å; W690-Y703 AromaticContact CH2-CD1 3.95Å; W690-Y703 HydrophobicContact CH2-CD1 3.95Å; W690-Y703 HydrophobicContact CH2-CE1 4.06Å; W690-Y703 HydrophobicContact CH2-CG 4.46Å; W690-Y703 AromaticContact CZ3-CD1 3.66Å; W690-Y703 HydrophobicContact CZ3-CD1 3.66Å; W690-Y703 AromaticContact CZ3-CE1 3.74Å; W690-Y703 HydrophobicContact CZ3-CE1 3.74Å; W690-Q706 HydrophobicContact CD2-CG 4.01Å; W690-Q706 HydrophobicContact CE3-CG 3.68Å; W690-Q706 HydrophobicContact CH2-CG 3.7Å; W690-Q706 HydrophobicContact CZ2-CG 4.02Å; W690-Q706 HydrophobicContact CZ3-CB 4.35Å; W690-Q706 HydrophobicContact CZ3-CG 3.53Å
691M92.4Very high91.1Very high31 Ų3176.5 Ų76.515%0.15340%0.399CS..Hα-helixtrans-63.2-40.2-179.2-171.4172.271.200111.7L652 E653 L656 V687 R688 D689 E693 Q694 Y703L652-M691 HydrophobicContact CD2-SD 4.2Å; L652-M691 HydrophobicContact CG-SD 4.45Å; E653-M691 HydrophobicContact CB-CE 4.35Å; E653-M691 HydrophobicContact CB-SD 4.45Å; E653-M691 HydrophobicContact CG-CE 4.32Å; L656-M691 HydrophobicContact CD1-CE 4.07Å; L656-M691 HydrophobicContact CD1-SD 4.34Å; V687-M691 WeakPolarHBondContact O-CB 3.48Å; V687-M691 PolarHBondContact O-N 2.97Å; R688-M691 WeakPolarHBondContact O-CA 3.46Å; R688-M691 WeakPolarHBondContact O-CB 3.49Å; R688-M691 PolarHBondContact O-N 2.96Å; D689-M691 VanDerWaalsContact C-N 3.3Å; D689-M691 PolarHBondContact O-N 2.57Å; M691-E693 VanDerWaalsContact C-N 3.31Å; M691-E693 PolarHBondContact O-N 3.32Å; M691-Q694 PolarHBondContact O-N 3.26Å; M691-Y703 HydrophobicContact CG-CE1 4.29Å
692D90.4Very high91.1Very high121 Ų12174 Ų7465%0.64739%0.393SS*.Hα-helixtrans-67.5-29.9177.3-69.3-21.9000112.6R688 D689 W690R688-D692 PolarHBondContact O-N 3.15Å; D689-D692 PolarHBondContact O-N 3.35Å; W690-D692 VanDerWaalsContact C-N 3.35Å; W690-D692 PolarHBondContact O-N 3.01Å
693E91Very high91.1Very high157 Ų15772 Ų7273%0.73437%0.373SS*.Hα-helixtrans-79.4-14.3176.1-69.7178.2178.300113.7D689 W690 M691D689-E693 WeakPolarHBondContact O-CG 3.48Å; D689-E693 PolarHBondContact O-N 2.72Å; D689-E693 VanDerWaalsContact O-N 3.14Å; W690-E693 PolarHBondContact O-N 3.16Å; M691-E693 VanDerWaalsContact C-N 3.31Å; M691-E693 PolarHBondContact O-N 3.32Å
694Q86.6Confident91.1Very high53 Ų5371.2 Ų71.225%0.24838%0.379CS..  trans-74.5133.7-173.9-68.3-36.5-7000113.3W690 M691 T698W690-Q694 HydrophobicContact CD2-CG 3.88Å; W690-Q694 VanDerWaalsContact CE2-CD 3.41Å; W690-Q694 HydrophobicContact CE3-CG 3.88Å; W690-Q694 HydrophobicContact CH2-CG 3.72Å; W690-Q694 HydrophobicContact CZ2-CG 3.7Å; W690-Q694 HydrophobicContact CZ3-CG 3.79Å; W690-Q694 VanDerWaalsContact NE1-NE2 3.19Å; W690-Q694 WeakPolarHBondContact O-CG 3.4Å; W690-Q694 PolarHBondContact O-N 2.7Å; W690-Q694 PolarHBondContact O-NE2 3.44Å; M691-Q694 PolarHBondContact O-N 3.26Å; Q694-T698 HydrophobicContact CB-CG2 4.36Å; Q694-T698 WeakPolarHBondContact CB-OG1 3.34Å; Q694-T698 HydrophobicContact CG-CG2 4.01Å; Q694-T698 PolarHBondContact OE1-OG1 3.41Å
695G78Confident91.1Very high41 Ų4175.1 Ų75.142%0.42340%0.397SS..  trans-93.5-170.9177.600000114.7K645 S697 T698K645-G695 PolarHBondContact NZ-O 3.1Å; G695-S697 PolarHBondContact O-N 3.13Å; G695-S697 VanDerWaalsContact O-N 3.15Å; G695-T698 PolarHBondContact O-N 3.27Å
696H74.1Confident91.2Very high194 Ų19473.2 Ų73.290%0.89839%0.386SS*.THydrogen-bonded Turntrans-60.5-24.7176.3-65.6-55.3000113.7K645K645-H696 PolarHBondContact NZ-O 3.09Å
697S83.3Confident91.2Very high106 Ų10671.1 Ų71.174%0.74137%0.37SS*.THydrogen-bonded Turntrans-73.8-21.4-177.150.20000115.1G695 T699G695-S697 PolarHBondContact O-N 3.13Å; G695-S697 VanDerWaalsContact O-N 3.15Å; S697-T699 PolarHBondContact O-N 2.98Å
698T88.3Confident91.3Very high6 Ų677.2 Ų77.24%0.03740%0.396CS..  trans-65.4133-176.1-48.80000110.9K645 W690 Q694 G695 E702 Y703K645-T698 VanDerWaalsContact CD-O 3.31Å; K645-T698 WeakPolarHBondContact CD-O 3.46Å; K645-T698 VanDerWaalsContact CE-O 3.26Å; K645-T698 WeakPolarHBondContact CE-O 3.36Å; K645-T698 PolarHBondContact NZ-O 2.95Å; W690-T698 HydrophobicContact CH2-CG2 3.85Å; W690-T698 HydrophobicContact CZ2-CG2 4.07Å; Q694-T698 HydrophobicContact CB-CG2 4.36Å; Q694-T698 WeakPolarHBondContact CB-OG1 3.34Å; Q694-T698 HydrophobicContact CG-CG2 4.01Å; Q694-T698 PolarHBondContact OE1-OG1 3.41Å; G695-T698 PolarHBondContact O-N 3.27Å; T698-E702 HydrophobicContact CG2-CB 3.87Å; T698-Y703 HydrophobicContact CG2-CD2 4.11Å; T698-Y703 HydrophobicContact CG2-CE1 4.45Å; T698-Y703 HydrophobicContact CG2-CE2 3.58Å
699T91.9Very high91.4Very high67 Ų6774.3 Ų74.341%0.41139%0.39SS..  trans-92.1157.5-172.767.20000112S697 K701 E702 Y703S697-T699 PolarHBondContact O-N 2.98Å; T699-K701 PolarHBondContact O-N 2.83Å; T699-K701 VanDerWaalsContact O-N 3.14Å; T699-E702 WeakPolarHBondContact CB-OE2 3.29Å; T699-E702 WeakPolarHBondContact CG2-OE2 3.44Å; T699-E702 PolarHBondContact N-OE2 3.08Å; T699-E702 PolarHBondContact O-N 3.25Å; T699-E702 VanDerWaalsContact O-N 3.12Å; T699-E702 WeakPolarHBondContact OG1-CG 3.36Å; T699-E702 PolarHBondContact OG1-N 3.12Å; T699-E702 PolarHBondContact OG1-OE2 3.27Å; T699-Y703 WeakPolarHBondContact O-CD2 3.42Å; T699-Y703 PolarHBondContact O-N 3.07Å
700A92.5Very high91.5Very high28 Ų2871.1 Ų71.123%0.23137%0.373CS..Hα-helixtrans-55.5-30.9173.400000112.9K644 K645 A648 A704K644-A700 HydrophobicContact CB-CB 4.11Å; K645-A700 HydrophobicContact CB-CB 4.29Å; A648-A700 HydrophobicContact CB-CB 4.27Å; A700-A704 WeakPolarHBondContact O-CB 3.5Å; A700-A704 PolarHBondContact O-N 3.38Å; A700-A704 VanDerWaalsContact O-N 3.09Å
701K94.3Very high91.6Very high142 Ų14272.9 Ų72.962%0.61738%0.383SS*.Hα-helixtrans-67.5-42178.9-169.8-172.7178.7-119.10111.6T699 A704 E705T699-K701 PolarHBondContact O-N 2.83Å; T699-K701 VanDerWaalsContact O-N 3.14Å; K701-A704 PolarHBondContact O-N 3.13Å; K701-E705 WeakPolarHBondContact CE-OE1 3.46Å; K701-E705 IonicContact NZ-OE1 3.34Å; K701-E705 PolarHBondContact NZ-OE1 3.17Å; K701-E705 VanDerWaalsContact O-CG 3.31Å; K701-E705 WeakPolarHBondContact O-CG 3.46Å; K701-E705 PolarHBondContact O-N 2.7Å
702E94.8Very high91.8Very high74 Ų7476.2 Ų76.235%0.34640%0.402SS..Hα-helixtrans-65.2-41.7179-71.8161.4120.400111.4W690 T698 T699 A704 E705 Q706W690-E702 HydrophobicContact CH2-CB 4.34Å; W690-E702 HydrophobicContact CZ2-CB 4.35Å; T698-E702 HydrophobicContact CG2-CB 3.87Å; T699-E702 WeakPolarHBondContact CB-OE2 3.29Å; T699-E702 WeakPolarHBondContact CG2-OE2 3.44Å; T699-E702 PolarHBondContact N-OE2 3.08Å; T699-E702 PolarHBondContact O-N 3.25Å; T699-E702 VanDerWaalsContact O-N 3.12Å; T699-E702 WeakPolarHBondContact OG1-CG 3.36Å; T699-E702 PolarHBondContact OG1-N 3.12Å; T699-E702 PolarHBondContact OG1-OE2 3.27Å; E702-A704 PolarHBondContact O-N 3.2Å; E702-E705 PolarHBondContact O-N 2.84Å; E702-Q706 PolarHBondContact O-N 2.77Å; E702-Q706 VanDerWaalsContact O-N 3.08Å
703Y95.6Very high91.9Very high13 Ų1371.7 Ų71.75%0.05138%0.378CS..Hα-helixtrans-61.2-43.9172.5-69.7-72.1000112.1K645 V649 L652 W690 M691 T698 T699 E705 Q706 L707K645-Y703 HydrophobicContact CD-CE2 4.44Å; K645-Y703 HydrophobicContact CG-CD2 4.37Å; K645-Y703 HydrophobicContact CG-CE2 4.08Å; V649-Y703 HydrophobicContact CG2-CD1 3.88Å; V649-Y703 HydrophobicContact CG2-CD2 3.74Å; V649-Y703 HydrophobicContact CG2-CE1 3.68Å; V649-Y703 HydrophobicContact CG2-CE2 3.54Å; V649-Y703 HydrophobicContact CG2-CG 3.91Å; V649-Y703 VanDerWaalsContact CG2-CZ 3.5Å; L652-Y703 HydrophobicContact CD2-CD1 3.91Å; W690-Y703 AromaticContact CH2-CD1 3.95Å; W690-Y703 HydrophobicContact CH2-CD1 3.95Å; W690-Y703 HydrophobicContact CH2-CE1 4.06Å; W690-Y703 HydrophobicContact CH2-CG 4.46Å; W690-Y703 AromaticContact CZ3-CD1 3.66Å; W690-Y703 HydrophobicContact CZ3-CD1 3.66Å; W690-Y703 AromaticContact CZ3-CE1 3.74Å; W690-Y703 HydrophobicContact CZ3-CE1 3.74Å; M691-Y703 HydrophobicContact CG-CE1 4.29Å; T698-Y703 HydrophobicContact CG2-CD2 4.11Å; T698-Y703 HydrophobicContact CG2-CE1 4.45Å; T698-Y703 HydrophobicContact CG2-CE2 3.58Å; T699-Y703 WeakPolarHBondContact O-CD2 3.42Å; T699-Y703 PolarHBondContact O-N 3.07Å; Y703-E705 VanDerWaalsContact C-N 3.3Å; Y703-E705 PolarHBondContact O-N 3.25Å; Y703-Q706 PolarHBondContact O-N 2.98Å; Y703-L707 PolarHBondContact O-N 3.4Å
704A95.1Very high92.1Very high49 Ų4964.2 Ų64.241%0.40534%0.344SS..Hα-helixtrans-64.8-32.3176.300000112.9A700 K701 E702 L707 K708A700-A704 WeakPolarHBondContact O-CB 3.5Å; A700-A704 PolarHBondContact O-N 3.38Å; A700-A704 VanDerWaalsContact O-N 3.09Å; K701-A704 PolarHBondContact O-N 3.13Å; E702-A704 PolarHBondContact O-N 3.2Å; A704-L707 PolarHBondContact O-N 3Å; A704-K708 WeakPolarHBondContact O-CB 3.48Å; A704-K708 PolarHBondContact O-N 3.48Å
705E96.3Very high92.6Very high97 Ų9768.7 Ų68.745%0.45336%0.362SS..Hα-helixtrans-66.9-38173.9-75.9170.4-175.800111.5K701 E702 Y703 L709K701-E705 WeakPolarHBondContact CE-OE1 3.46Å; K701-E705 IonicContact NZ-OE1 3.34Å; K701-E705 PolarHBondContact NZ-OE1 3.17Å; K701-E705 VanDerWaalsContact O-CG 3.31Å; K701-E705 WeakPolarHBondContact O-CG 3.46Å; K701-E705 PolarHBondContact O-N 2.7Å; E702-E705 PolarHBondContact O-N 2.84Å; Y703-E705 VanDerWaalsContact C-N 3.3Å; Y703-E705 PolarHBondContact O-N 3.25Å; E705-L709 PolarHBondContact O-N 2.95Å
706Q96.6Very high93.3Very high39 Ų3968.1 Ų68.118%0.18235%0.353CS..Hα-helixtrans-68.1-41.7172.6-65.5-61.2-15.400112.6L652 V687 W690 E702 Y703 K708 L709 L710L652-Q706 HydrophobicContact CD1-CB 4.2Å; L652-Q706 HydrophobicContact CD2-CB 3.95Å; V687-Q706 HydrophobicContact CG1-CB 3.93Å; V687-Q706 HydrophobicContact CG1-CG 4.41Å; W690-Q706 HydrophobicContact CD2-CG 4.01Å; W690-Q706 HydrophobicContact CE3-CG 3.68Å; W690-Q706 HydrophobicContact CH2-CG 3.7Å; W690-Q706 HydrophobicContact CZ2-CG 4.02Å; W690-Q706 HydrophobicContact CZ3-CB 4.35Å; W690-Q706 HydrophobicContact CZ3-CG 3.53Å; E702-Q706 PolarHBondContact O-N 2.77Å; E702-Q706 VanDerWaalsContact O-N 3.08Å; Y703-Q706 PolarHBondContact O-N 2.98Å; Q706-K708 VanDerWaalsContact C-N 3.31Å; Q706-K708 PolarHBondContact O-N 3.3Å; Q706-L709 WeakPolarHBondContact O-CB 3.43Å; Q706-L709 PolarHBondContact O-N 2.91Å; Q706-L709 VanDerWaalsContact O-N 3.14Å; Q706-L710 PolarHBondContact O-N 2.98Å
707L96.4Very high94.2Very high22 Ų2259 Ų5912%0.11531%0.311CS..Hα-helixtrans-58.5-47.7174.9177.559000110.2E651 L652 F655 Y703 A704 L709 L710 E711E651-L707 HydrophobicContact CB-CD2 4.11Å; L652-L707 HydrophobicContact CD1-CB 4.05Å; L652-L707 HydrophobicContact CD1-CD1 4.44Å; F655-L707 HydrophobicContact CB-CD1 3.52Å; F655-L707 HydrophobicContact CD1-CD1 4Å; F655-L707 HydrophobicContact CD2-CD1 3.72Å; F655-L707 HydrophobicContact CE2-CD1 4.4Å; F655-L707 HydrophobicContact CG-CD1 3.46Å; F655-L707 VanDerWaalsContact CG-CD1 3.46Å; Y703-L707 PolarHBondContact O-N 3.4Å; A704-L707 PolarHBondContact O-N 3Å; L707-L709 VanDerWaalsContact C-N 3.28Å; L707-L709 PolarHBondContact O-N 2.8Å; L707-L710 PolarHBondContact O-N 2.81Å; L707-L710 VanDerWaalsContact O-N 3.1Å; L707-E711 HydrophobicContact CD1-CG 4.32Å; L707-E711 HydrophobicContact CG-CG 4.41Å; L707-E711 WeakPolarHBondContact O-CG 3.45Å; L707-E711 PolarHBondContact O-N 2.83Å
708K97Very high94.8Very high129 Ų12956.5 Ų56.556%0.56129%0.287SS*.Hα-helixtrans-61.1-35.7176.5-171.1176.3-178.2179.30112.7A704 Q706 N712A704-K708 WeakPolarHBondContact O-CB 3.48Å; A704-K708 PolarHBondContact O-N 3.48Å; Q706-K708 VanDerWaalsContact C-N 3.31Å; Q706-K708 PolarHBondContact O-N 3.3Å; K708-N712 WeakPolarHBondContact O-CB 3.25Å; K708-N712 PolarHBondContact O-N 2.79Å; K708-N712 VanDerWaalsContact O-N 3.09Å; K708-N712 PolarHBondContact O-ND2 2.91Å
709L95.7Very high95.1Very high70 Ų7060.2 Ų60.237%0.36630%0.301SS..Hα-helixtrans-61-48.2173.5175.868.2000110.7V687 E705 Q706 L707 N712 V713V687-L709 HydrophobicContact CG2-CD2 4.32Å; E705-L709 PolarHBondContact O-N 2.95Å; Q706-L709 WeakPolarHBondContact O-CB 3.43Å; Q706-L709 PolarHBondContact O-N 2.91Å; Q706-L709 VanDerWaalsContact O-N 3.14Å; L707-L709 VanDerWaalsContact C-N 3.28Å; L707-L709 PolarHBondContact O-N 2.8Å; L709-N712 PolarHBondContact O-N 2.79Å; L709-V713 WeakPolarHBondContact O-CG2 2.99Å; L709-V713 PolarHBondContact O-N 2.82Å; L709-V713 VanDerWaalsContact O-N 3.16Å
710L96.3Very high95.3Very high1 Ų158.2 Ų58.21%0.00529%0.286CS..Hα-helixtrans-65.6-44.8179.4-65.7-178.7000112L652 F655 L656 K683 L684 V687 Q706 L707 N712 V713 T714L652-L710 HydrophobicContact CD1-CD1 3.8Å; F655-L710 HydrophobicContact CD1-CB 3.91Å; F655-L710 HydrophobicContact CD1-CD1 4.04Å; F655-L710 HydrophobicContact CE1-CB 3.56Å; F655-L710 HydrophobicContact CE1-CD1 4.46Å; L656-L710 HydrophobicContact CD2-CD1 3.54Å; L656-L710 HydrophobicContact CG-CD1 3.93Å; K683-L710 HydrophobicContact CB-CD2 4.47Å; L684-L710 HydrophobicContact CD2-CD1 4.07Å; L684-L710 HydrophobicContact CD2-CD2 3.94Å; V687-L710 HydrophobicContact CB-CD1 4.15Å; V687-L710 HydrophobicContact CB-CD2 4.13Å; V687-L710 HydrophobicContact CB-CG 4.34Å; V687-L710 HydrophobicContact CG1-CD1 3.9Å; V687-L710 HydrophobicContact CG1-CG 4.33Å; V687-L710 HydrophobicContact CG2-CD1 4.39Å; V687-L710 HydrophobicContact CG2-CD2 3.68Å; V687-L710 HydrophobicContact CG2-CG 4.03Å; Q706-L710 PolarHBondContact O-N 2.98Å; L707-L710 PolarHBondContact O-N 2.81Å; L707-L710 VanDerWaalsContact O-N 3.1Å; L710-N712 PolarHBondContact O-N 2.8Å; L710-V713 PolarHBondContact O-N 2.79Å; L710-T714 WeakPolarHBondContact O-CG2 3.37Å; L710-T714 PolarHBondContact O-N 2.76Å; L710-T714 PolarHBondContact O-OG1 3.04Å
711E96.6Very high95.4Very high91 Ų9158.1 Ų58.143%0.42528%0.281SS..Hα-helixtrans-54.7-40.4174.3-73.8177159.300112.1F655 L707 K715F655-E711 HydrophobicContact CE2-CG 3.86Å; F655-E711 HydrophobicContact CZ-CG 3.93Å; L707-E711 HydrophobicContact CD1-CG 4.32Å; L707-E711 HydrophobicContact CG-CG 4.41Å; L707-E711 WeakPolarHBondContact O-CG 3.45Å; L707-E711 PolarHBondContact O-N 2.83Å; E711-K715 WeakPolarHBondContact O-CA 3.48Å; E711-K715 WeakPolarHBondContact O-CB 2.89Å; E711-K715 PolarHBondContact O-N 3Å
712N96.3Very high95.4Very high101 Ų10156.6 Ų56.654%0.5427%0.274SS..Hα-helixtrans-68.5-38.1177.6-72.7-39.9000112.3K708 L709 L710K708-N712 WeakPolarHBondContact O-CB 3.25Å; K708-N712 PolarHBondContact O-N 2.79Å; K708-N712 VanDerWaalsContact O-N 3.09Å; K708-N712 PolarHBondContact O-ND2 2.91Å; L709-N712 PolarHBondContact O-N 2.79Å; L710-N712 PolarHBondContact O-N 2.8Å
713V94.3Very high95.5Very high25 Ų2553.8 Ų53.815%0.15226%0.261CS..Hα-helixtrans-70.7-33.4179.5169.20000111.5Y679 I680 K683 L709 L710Y679-V713 HydrophobicContact CD1-CG1 4.04Å; Y679-V713 HydrophobicContact CE1-CG1 3.75Å; Y679-V713 HydrophobicContact CE1-CG2 4.08Å; I680-V713 HydrophobicContact CB-CG1 4.39Å; I680-V713 HydrophobicContact CG1-CG1 3.85Å; K683-V713 HydrophobicContact CB-CG1 4.33Å; K683-V713 HydrophobicContact CG-CG1 4.38Å; K683-V713 HydrophobicContact CG-CG2 4.38Å; L709-V713 WeakPolarHBondContact O-CG2 2.99Å; L709-V713 PolarHBondContact O-N 2.82Å; L709-V713 VanDerWaalsContact O-N 3.16Å; L710-V713 PolarHBondContact O-N 2.79Å
714T95.2Very high95.3Very high1 Ų156.1 Ų56.11%0.00627%0.273CS..Hα-helixtrans-98.80.6-177.759.20000113.6F655 T659 I680 L710 A716 I717 F718F655-T714 WeakPolarHBondContact CZ-OG1 3.37Å; T659-T714 HydrophobicContact CG2-CG2 3.68Å; I680-T714 HydrophobicContact CG2-CG2 3.82Å; L710-T714 WeakPolarHBondContact O-CG2 3.37Å; L710-T714 PolarHBondContact O-N 2.76Å; L710-T714 PolarHBondContact O-OG1 3.04Å; T714-A716 VanDerWaalsContact C-N 3.26Å; T714-A716 PolarHBondContact O-N 3.35Å; T714-I717 WeakPolarHBondContact O-CG2 3.46Å; T714-I717 PolarHBondContact O-N 2.96Å; T714-F718 WeakPolarHBondContact O-CD2 3.2Å; T714-F718 PolarHBondContact O-N 3.15Å; T714-F718 VanDerWaalsContact OG1-CE2 3.29Å; T714-F718 WeakPolarHBondContact OG1-CE2 3.4Å
715K95.1Very high95.2Very high146 Ų14657 Ų5764%0.63527%0.274SS*.Hα-helixtrans-54.6-42.2-178.3-172178.7178.3-1760112.8E711 Y719E711-K715 WeakPolarHBondContact O-CA 3.48Å; E711-K715 WeakPolarHBondContact O-CB 2.89Å; E711-K715 PolarHBondContact O-N 3Å; K715-Y719 VanDerWaalsContact O-CB 3.25Å; K715-Y719 WeakPolarHBondContact O-CB 3.44Å; K715-Y719 PolarHBondContact O-N 3.43Å
716A93.6Very high95.2Very high29 Ų2956.4 Ų56.424%0.2427%0.271CS..Hα-helixtrans-67.6-48.1-176.800000112T714 F718 Y719 R720T714-A716 VanDerWaalsContact C-N 3.26Å; T714-A716 PolarHBondContact O-N 3.35Å; A716-F718 PolarHBondContact O-N 3.29Å; A716-Y719 WeakPolarHBondContact O-CB 3.48Å; A716-Y719 PolarHBondContact O-N 2.69Å; A716-R720 WeakPolarHBondContact O-CG 3.37Å; A716-R720 PolarHBondContact O-N 3.12Å
717I94.1Very high95.1Very high3 Ų356.4 Ų56.42%0.01527%0.269CS..Hα-helixtrans-60-45.5178.1-176.5-174.1000111.6L663 Y668 L671 V672 I680 T714 Y719 R720 H721L663-I717 HydrophobicContact CD2-CD1 3.53Å; Y668-I717 HydrophobicContact CD1-CD1 3.8Å; Y668-I717 HydrophobicContact CD1-CG1 4.01Å; Y668-I717 HydrophobicContact CG-CD1 4.43Å; L671-I717 HydrophobicContact CB-CG1 4.32Å; V672-I717 HydrophobicContact CG2-CB 3.91Å; V672-I717 HydrophobicContact CG2-CD1 3.35Å; V672-I717 HydrophobicContact CG2-CG1 3.55Å; I680-I717 HydrophobicContact CD1-CG2 4.34Å; T714-I717 WeakPolarHBondContact O-CG2 3.46Å; T714-I717 PolarHBondContact O-N 2.96Å; I717-Y719 VanDerWaalsContact C-N 3.33Å; I717-Y719 PolarHBondContact O-N 3.35Å; I717-R720 PolarHBondContact O-N 2.9Å; I717-H721 WeakPolarHBondContact O-CB 3.35Å; I717-H721 PolarHBondContact O-N 3.35Å
718F94.6Very high95Very high53 Ų5358.6 Ų58.623%0.23229%0.285CS..Hα-helixtrans-67.7-34.2178.7-65.6-38.5000112.4F655 T659 K662 Y668 T714 A716 K722F655-F718 HydrophobicContact CE2-CE2 4.18Å; F655-F718 AromaticContact CZ-CE2 3.86Å; F655-F718 HydrophobicContact CZ-CE2 3.86Å; T659-F718 HydrophobicContact CG2-CZ 4.14Å; K662-F718 HydrophobicContact CD-CE1 3.69Å; K662-F718 HydrophobicContact CD-CZ 4.25Å; Y668-F718 AromaticContact CE1-CD1 3.94Å; Y668-F718 HydrophobicContact CE1-CD1 3.94Å; Y668-F718 HydrophobicContact CE1-CE1 4.09Å; T714-F718 WeakPolarHBondContact O-CD2 3.2Å; T714-F718 PolarHBondContact O-N 3.15Å; T714-F718 VanDerWaalsContact OG1-CE2 3.29Å; T714-F718 WeakPolarHBondContact OG1-CE2 3.4Å; A716-F718 PolarHBondContact O-N 3.29Å; F718-K722 WeakPolarHBondContact O-CB 3.48Å; F718-K722 PolarHBondContact O-N 2.79Å
719Y95.4Very high94.9Very high85 Ų8558 Ų5833%0.33329%0.288SS..Hα-helixtrans-64-48.8172.4174.6-114.2000112K715 A716 I717 H721 K722 E723 P792 T795K715-Y719 VanDerWaalsContact O-CB 3.25Å; K715-Y719 WeakPolarHBondContact O-CB 3.44Å; K715-Y719 PolarHBondContact O-N 3.43Å; A716-Y719 WeakPolarHBondContact O-CB 3.48Å; A716-Y719 PolarHBondContact O-N 2.69Å; I717-Y719 VanDerWaalsContact C-N 3.33Å; I717-Y719 PolarHBondContact O-N 3.35Å; Y719-H721 VanDerWaalsContact C-N 3.33Å; Y719-H721 PolarHBondContact O-N 3.47Å; Y719-K722 PolarHBondContact O-N 3.13Å; Y719-E723 HydrophobicContact CD2-CG 4.19Å; Y719-E723 HydrophobicContact CE1-CG 4.21Å; Y719-E723 HydrophobicContact CE2-CG 3.59Å; Y719-E723 WeakPolarHBondContact CE2-OE1 3.5Å; Y719-E723 WeakPolarHBondContact O-CG 3.46Å; Y719-E723 PolarHBondContact O-N 3.29Å; Y719-E723 PolarHBondContact OH-OE1 3.48Å; Y719-P792 HydrophobicContact CE1-CG 4.28Å; Y719-T795 WeakPolarHBondContact OH-CG2 3.48Å
720R95.4Very high94.8Very high24 Ų2455 Ų559%0.09127%0.273CS..Hα-helixtrans-61.1-41.3177.9-68.5175.1-158.4146.82.6111.8L671 E676 A716 I717 E723 M724 Y789 D791L671-R720 HydrophobicContact CB-CB 4.45Å; L671-R720 HydrophobicContact CD1-CB 4.46Å; L671-R720 HydrophobicContact CD2-CB 4.39Å; L671-R720 PolarHBondContact O-NH1 2.71Å; E676-R720 IonicContact OE1-CZ 3.37Å; E676-R720 IonicContact OE1-NH1 3.16Å; E676-R720 PolarHBondContact OE1-NH1 2.88Å; E676-R720 IonicContact OE1-NH2 3.74Å; E676-R720 PolarHBondContact OE1-NH2 3.46Å; E676-R720 IonicContact OE2-CZ 3.4Å; E676-R720 IonicContact OE2-NH1 3.86Å; E676-R720 PolarHBondContact OE2-NH1 2.99Å; E676-R720 IonicContact OE2-NH2 2.66Å; A716-R720 WeakPolarHBondContact O-CG 3.37Å; A716-R720 PolarHBondContact O-N 3.12Å; I717-R720 PolarHBondContact O-N 2.9Å; R720-E723 PolarHBondContact O-N 3.03Å; R720-M724 WeakPolarHBondContact O-CB 3.34Å; R720-M724 PolarHBondContact O-N 3.2Å; R720-Y789 PolarHBondContact NE-O 3.47Å; R720-Y789 PolarHBondContact NH1-O 3.22Å; R720-Y789 PolarHBondContact NH2-O 3.22Å; R720-D791 IonicContact CZ-OD1 2.93Å; R720-D791 IonicContact NE-OD1 2.68Å; R720-D791 PolarHBondContact NE-OD1 3.19Å; R720-D791 IonicContact NH2-OD1 3.85Å; R720-D791 PolarHBondContact NH2-OD1 2.69Å
721H94.6Very high94.8Very high27 Ų2755.7 Ų55.713%0.12528%0.277CS..Hα-helixtrans-62.1-49.6177-178.879000111E667 Y668 L671 I717 Y719 E723 M724 T725E667-H721 IonicContact OE1-CE1 3.78Å; E667-H721 IonicContact OE2-CE1 2.79Å; Y668-H721 HydrophobicContact CD1-CB 4.24Å; Y668-H721 HydrophobicContact CE1-CB 3.78Å; Y668-H721 AromaticContact CE1-CD2 3.94Å; Y668-H721 AromaticContact CE1-CG 3.56Å; Y668-H721 AromaticContact CE1-ND1 3.8Å; Y668-H721 AromaticContact CE2-CE1 3.84Å; Y668-H721 AromaticContact CZ-CD2 3.7Å; Y668-H721 AromaticContact CZ-CE1 3.72Å; Y668-H721 AromaticContact CZ-CG 3.69Å; Y668-H721 AromaticContact CZ-ND1 3.71Å; Y668-H721 AromaticContact CZ-NE2 3.72Å; Y668-H721 PolarHBondContact OH-CD2 2.97Å; Y668-H721 VanDerWaalsContact OH-CD2 3.29Å; Y668-H721 PolarHBondContact OH-NE2 2.87Å; L671-H721 HydrophobicContact CD1-CB 3.48Å; L671-H721 VanDerWaalsContact CD1-CB 3.48Å; I717-H721 WeakPolarHBondContact O-CB 3.35Å; I717-H721 PolarHBondContact O-N 3.35Å; Y719-H721 VanDerWaalsContact C-N 3.33Å; Y719-H721 PolarHBondContact O-N 3.47Å; H721-E723 VanDerWaalsContact C-N 3.33Å; H721-E723 PolarHBondContact O-N 3.38Å; H721-M724 WeakPolarHBondContact O-CB 3.46Å; H721-M724 PolarHBondContact O-N 2.87Å; H721-T725 PolarHBondContact O-N 3.46Å; H721-T725 PolarHBondContact O-OG1 2.98Å; H721-T725 VanDerWaalsContact O-OG1 3.13Å
722K94.7Very high94.7Very high110 Ų11055.6 Ų55.648%0.47828%0.28SS..Hα-helixtrans-54.8-48.5176.3-175.9-177.6179.3-178.30111.9F718 Y719 M724 T725 E726F718-K722 WeakPolarHBondContact O-CB 3.48Å; F718-K722 PolarHBondContact O-N 2.79Å; Y719-K722 PolarHBondContact O-N 3.13Å; K722-M724 VanDerWaalsContact C-N 3.35Å; K722-M724 PolarHBondContact O-N 2.85Å; K722-T725 WeakPolarHBondContact CA-OG1 3.21Å; K722-T725 PolarHBondContact O-N 2.97Å; K722-T725 PolarHBondContact O-OG1 3.47Å; K722-E726 VanDerWaalsContact CE-CD 3.43Å; K722-E726 WeakPolarHBondContact CE-OE1 3.29Å; K722-E726 VanDerWaalsContact CE-OE2 3.23Å; K722-E726 WeakPolarHBondContact CE-OE2 3.37Å; K722-E726 HydrophobicContact CG-CG 4.4Å; K722-E726 WeakPolarHBondContact CG-OE1 3.42Å; K722-E726 WeakPolarHBondContact O-CB 3.46Å; K722-E726 WeakPolarHBondContact O-CG 3.32Å; K722-E726 PolarHBondContact O-N 2.97Å
723E95.6Very high94.5Very high14 Ų1453.8 Ų53.87%0.06527%0.269CS..Hα-helixtrans-63.2-39.2176.8-73.9-79.7167.400111.8Y719 R720 H721 T725 R727 P792 T795 V796Y719-E723 HydrophobicContact CD2-CG 4.19Å; Y719-E723 HydrophobicContact CE1-CG 4.21Å; Y719-E723 HydrophobicContact CE2-CG 3.59Å; Y719-E723 WeakPolarHBondContact CE2-OE1 3.5Å; Y719-E723 WeakPolarHBondContact O-CG 3.46Å; Y719-E723 PolarHBondContact O-N 3.29Å; Y719-E723 PolarHBondContact OH-OE1 3.48Å; R720-E723 PolarHBondContact O-N 3.03Å; H721-E723 VanDerWaalsContact C-N 3.33Å; H721-E723 PolarHBondContact O-N 3.38Å; E723-T725 VanDerWaalsContact C-N 3.34Å; E723-T725 PolarHBondContact O-N 3.4Å; E723-R727 WeakPolarHBondContact O-CB 3.36Å; E723-R727 PolarHBondContact O-N 3.43Å; E723-P792 HydrophobicContact CB-CG 3.72Å; E723-P792 HydrophobicContact CG-CG 3.7Å; E723-T795 VanDerWaalsContact OE2-CA 3.3Å; E723-T795 WeakPolarHBondContact OE2-CA 3.4Å; E723-V796 WeakPolarHBondContact OE2-CG2 3.38Å; E723-V796 PolarHBondContact OE2-N 3.25Å
724M92.6Very high94.6Very high63 Ų6352.8 Ų52.831%0.3126%0.262SS..Hα-helixtrans-63.5-40176.9-176-178.870.400111.9E667 I670 L671 R720 H721 K722 P728E667-M724 HydrophobicContact CB-CE 4.35Å; I670-M724 HydrophobicContact CD1-SD 3.96Å; L671-M724 HydrophobicContact CD1-CE 4.24Å; L671-M724 HydrophobicContact CD2-CE 4.44Å; L671-M724 HydrophobicContact CD2-SD 3.86Å; R720-M724 WeakPolarHBondContact O-CB 3.34Å; R720-M724 PolarHBondContact O-N 3.2Å; H721-M724 WeakPolarHBondContact O-CB 3.46Å; H721-M724 PolarHBondContact O-N 2.87Å; K722-M724 VanDerWaalsContact C-N 3.35Å; K722-M724 PolarHBondContact O-N 2.85Å; M724-P728 VanDerWaalsContact O-CD 3.26Å; M724-P728 WeakPolarHBondContact O-CD 3.47Å
725T93.3Very high94.6Very high68 Ų6856.8 Ų56.842%0.41728%0.28SS..Hα-helixtrans-75.5-37.9-179.451.50000113.2H721 K722 E723H721-T725 PolarHBondContact O-N 3.46Å; H721-T725 PolarHBondContact O-OG1 2.98Å; H721-T725 VanDerWaalsContact O-OG1 3.13Å; K722-T725 WeakPolarHBondContact CA-OG1 3.21Å; K722-T725 PolarHBondContact O-N 2.97Å; K722-T725 PolarHBondContact O-OG1 3.47Å; E723-T725 VanDerWaalsContact C-N 3.34Å; E723-T725 PolarHBondContact O-N 3.4Å
726E95Very high94.5Very high83 Ų8356.4 Ų56.439%0.38828%0.28SS..Hα-helixtrans-91.7-30.5-172.2-68.6178.9-173.300113.3K722 N729 A730 V796K722-E726 VanDerWaalsContact CE-CD 3.43Å; K722-E726 WeakPolarHBondContact CE-OE1 3.29Å; K722-E726 VanDerWaalsContact CE-OE2 3.23Å; K722-E726 WeakPolarHBondContact CE-OE2 3.37Å; K722-E726 HydrophobicContact CG-CG 4.4Å; K722-E726 WeakPolarHBondContact CG-OE1 3.42Å; K722-E726 WeakPolarHBondContact O-CB 3.46Å; K722-E726 WeakPolarHBondContact O-CG 3.32Å; K722-E726 PolarHBondContact O-N 2.97Å; E726-N729 PolarHBondContact O-N 3Å; E726-A730 PolarHBondContact O-N 3.35Å; E726-V796 HydrophobicContact CB-CG2 3.85Å
727R94.9Very high94.6Very high39 Ų3956 Ų5615%0.14727%0.274CS..Hα-helixtrans-61.5-39.7-173.8-171.7-167.3-37.9154.714.5114.9E723 N729 A730 V731 Q783 P792 L794 V796 L799E723-R727 WeakPolarHBondContact O-CB 3.36Å; E723-R727 PolarHBondContact O-N 3.43Å; R727-N729 PolarHBondContact O-N 3.2Å; R727-A730 PolarHBondContact O-N 3.2Å; R727-A730 VanDerWaalsContact O-N 3.1Å; R727-V731 HydrophobicContact CG-CG2 4.11Å; R727-V731 WeakPolarHBondContact O-CG2 3.22Å; R727-V731 PolarHBondContact O-N 3.49Å; R727-Q783 VanDerWaalsContact NH1-CG 3.29Å; R727-Q783 VanDerWaalsContact NH1-NE2 3.14Å; R727-P792 VanDerWaalsContact NH2-CB 3.33Å; R727-L794 WeakPolarHBondContact CD-O 3.42Å; R727-L794 PolarHBondContact NE-O 3.48Å; R727-L794 VanDerWaalsContact NE-O 3.17Å; R727-V796 HydrophobicContact CB-CG2 4.06Å; R727-L799 HydrophobicContact CG-CD1 3.84Å
728P94.4Very high94.6Very high69 Ų6956.8 Ų56.845%0.44828%0.278SS..Hα-helixtrans-56.1-40177.4-26.735.8000112.9M724 V731 N732M724-P728 VanDerWaalsContact O-CD 3.26Å; M724-P728 WeakPolarHBondContact O-CD 3.47Å; P728-V731 PolarHBondContact O-N 3.3Å; P728-N732 VanDerWaalsContact O-CG 3.28Å; P728-N732 PolarHBondContact O-N 3.37Å; P728-N732 PolarHBondContact O-ND2 3.43Å
729N94.3Very high94.6Very high116 Ų11659.5 Ų59.562%0.6230%0.295SS*.Hα-helixtrans-67.7-43.7176.2-67.9-23.8000111.4E726 R727 V731 N732 M733E726-N729 PolarHBondContact O-N 3Å; R727-N729 PolarHBondContact O-N 3.2Å; N729-V731 VanDerWaalsContact C-N 3.33Å; N729-V731 PolarHBondContact O-N 3.01Å; N729-N732 PolarHBondContact O-N 2.85Å; N729-M733 WeakPolarHBondContact O-CB 3.02Å; N729-M733 PolarHBondContact O-N 2.85Å
730A94.5Very high94.4Very high7 Ų759.5 Ų59.56%0.05830%0.295CS..Hα-helixtrans-63.3-37.2176.700000112.7E726 R727 L734 V796 L799E726-A730 PolarHBondContact O-N 3.35Å; R727-A730 PolarHBondContact O-N 3.2Å; R727-A730 VanDerWaalsContact O-N 3.1Å; A730-L734 PolarHBondContact O-N 2.96Å; A730-V796 HydrophobicContact CB-CG1 4.22Å; A730-V796 HydrophobicContact CB-CG2 4.41Å; A730-L799 HydrophobicContact CB-CB 4.13Å; A730-L799 HydrophobicContact CB-CD1 3.72Å
731V95.7Very high94.3Very high16 Ų1658.3 Ų58.310%0.09729%0.29CS..Hα-helixtrans-64.3-47.5174.4167.60000110.9R727 P728 N729 M733 L734 K735 F776 L794 L799R727-V731 HydrophobicContact CG-CG2 4.11Å; R727-V731 WeakPolarHBondContact O-CG2 3.22Å; R727-V731 PolarHBondContact O-N 3.49Å; P728-V731 PolarHBondContact O-N 3.3Å; N729-V731 VanDerWaalsContact C-N 3.33Å; N729-V731 PolarHBondContact O-N 3.01Å; V731-M733 VanDerWaalsContact C-N 3.33Å; V731-M733 PolarHBondContact O-N 2.9Å; V731-L734 PolarHBondContact O-N 3.41Å; V731-K735 HydrophobicContact CG1-CD 4.02Å; V731-K735 HydrophobicContact CG1-CG 4.47Å; V731-K735 WeakPolarHBondContact O-CG 3.3Å; V731-K735 PolarHBondContact O-N 3.3Å; V731-F776 HydrophobicContact CG1-CE2 3.95Å; V731-F776 HydrophobicContact CG1-CZ 3.63Å; V731-F776 HydrophobicContact CG2-CE2 4.17Å; V731-L794 HydrophobicContact CG2-CD2 4.17Å; V731-L799 HydrophobicContact CG2-CD1 3.7Å; V731-L799 HydrophobicContact CG2-CD2 4.25Å
732N94.4Very high94.3Very high89 Ų8959.1 Ų59.148%0.47630%0.299SS..Hα-helixtrans-60.5-44.6177.9-72.7-20.8000111.2P728 N729 L734 K735 E736P728-N732 VanDerWaalsContact O-CG 3.28Å; P728-N732 PolarHBondContact O-N 3.37Å; P728-N732 PolarHBondContact O-ND2 3.43Å; N729-N732 PolarHBondContact O-N 2.85Å; N732-L734 VanDerWaalsContact C-N 3.33Å; N732-L734 PolarHBondContact O-N 3.29Å; N732-K735 PolarHBondContact O-N 2.84Å; N732-E736 WeakPolarHBondContact O-CG 3.22Å; N732-E736 PolarHBondContact O-N 2.93Å
733M93.4Very high94.2Very high63 Ų6357 Ų5731%0.3130%0.295SS..Hα-helixtrans-60.3-41.8177.3-168.8172.676.900112.1N729 V731 E736 L737 M800 L855N729-M733 WeakPolarHBondContact O-CB 3.02Å; N729-M733 PolarHBondContact O-N 2.85Å; V731-M733 VanDerWaalsContact C-N 3.33Å; V731-M733 PolarHBondContact O-N 2.9Å; M733-E736 PolarHBondContact O-N 3.44Å; M733-L737 WeakPolarHBondContact O-CG 3.08Å; M733-L737 PolarHBondContact O-N 3.03Å; M733-M800 HydrophobicContact CE-CG 4.46Å; M733-L855 HydrophobicContact SD-CD2 3.81Å
734L95.4Very high94Very high3 Ų357.1 Ų57.12%0.01630%0.295CS..Hα-helixtrans-66.6-42.3175.6-175.563.3000111.8A730 V731 N732 E736 L737 M738 T772 W775 F776 L799 K802A730-L734 PolarHBondContact O-N 2.96Å; V731-L734 PolarHBondContact O-N 3.41Å; N732-L734 VanDerWaalsContact C-N 3.33Å; N732-L734 PolarHBondContact O-N 3.29Å; L734-E736 VanDerWaalsContact C-N 3.34Å; L734-E736 PolarHBondContact O-N 3.12Å; L734-L737 PolarHBondContact O-N 2.91Å; L734-M738 HydrophobicContact CD1-CG 4.49Å; L734-M738 HydrophobicContact CG-CE 4.14Å; L734-M738 HydrophobicContact CG-CG 4.48Å; L734-M738 HydrophobicContact CG-SD 4.35Å; L734-M738 WeakPolarHBondContact O-CG 3.02Å; L734-M738 PolarHBondContact O-N 3.49Å; L734-T772 HydrophobicContact CD1-CG2 4.12Å; L734-W775 HydrophobicContact CD2-CZ3 3.91Å; L734-F776 HydrophobicContact CD2-CB 4.45Å; L734-F776 HydrophobicContact CD2-CD2 3.72Å; L734-F776 HydrophobicContact CD2-CE2 4.42Å; L734-F776 HydrophobicContact CD2-CG 4.27Å; L734-L799 HydrophobicContact CB-CD2 4.37Å; L734-L799 HydrophobicContact CD2-CD2 3.5Å; L734-L799 VanDerWaalsContact CD2-CD2 3.5Å; L734-K802 HydrophobicContact CD1-CB 4.46Å
735K95.5Very high93.9Very high85 Ų8555 Ų5537%0.3729%0.285SS..Hα-helixtrans-59.8-42.8176.1-75.9178.3178.3169.90111.8V731 N732 M738 N739 F776 E780V731-K735 HydrophobicContact CG1-CD 4.02Å; V731-K735 HydrophobicContact CG1-CG 4.47Å; V731-K735 WeakPolarHBondContact O-CG 3.3Å; V731-K735 PolarHBondContact O-N 3.3Å; N732-K735 PolarHBondContact O-N 2.84Å; K735-M738 HydrophobicContact CB-CE 4.43Å; K735-M738 HydrophobicContact CG-CE 4Å; K735-M738 PolarHBondContact O-N 3.08Å; K735-N739 WeakPolarHBondContact O-CB 3.49Å; K735-N739 PolarHBondContact O-N 2.77Å; K735-F776 HydrophobicContact CD-CE1 4.48Å; K735-F776 HydrophobicContact CD-CZ 4.48Å; K735-F776 HydrophobicContact CG-CE1 4.33Å; K735-F776 HydrophobicContact CG-CZ 4.42Å; K735-E780 IonicContact NZ-OE1 2.64Å; K735-E780 PolarHBondContact NZ-OE1 2.76Å; K735-E780 IonicContact NZ-OE2 3.83Å
736E94.1Very high93.7Very high139 Ų13956.5 Ų56.565%0.6529%0.287SS*.Hα-helixtrans-62.6-44.8174.7-73.9179.117800112N732 M733 L734 N739 Y740N732-E736 WeakPolarHBondContact O-CG 3.22Å; N732-E736 PolarHBondContact O-N 2.93Å; M733-E736 PolarHBondContact O-N 3.44Å; L734-E736 VanDerWaalsContact C-N 3.34Å; L734-E736 PolarHBondContact O-N 3.12Å; E736-N739 PolarHBondContact O-N 3.38Å; E736-Y740 VanDerWaalsContact O-CB 3.31Å; E736-Y740 WeakPolarHBondContact O-CB 3.28Å; E736-Y740 PolarHBondContact O-N 2.83Å
737L93.8Very high93.3Very high19 Ų1956.2 Ų56.210%0.09929%0.288CS..Hα-helixtrans-62.8-41.7176.2-77169.9000112.4M733 L734 Y740 S741 L806 D807 L855M733-L737 WeakPolarHBondContact O-CG 3.08Å; M733-L737 PolarHBondContact O-N 3.03Å; L734-L737 PolarHBondContact O-N 2.91Å; L737-Y740 PolarHBondContact O-N 2.87Å; L737-S741 VanDerWaalsContact O-CB 3.27Å; L737-S741 WeakPolarHBondContact O-CB 3.39Å; L737-S741 PolarHBondContact O-N 3.1Å; L737-S741 PolarHBondContact O-OG 2.68Å; L737-L806 HydrophobicContact CB-CD2 4.37Å; L737-D807 HydrophobicContact CD2-CB 4.26Å; L737-L855 HydrophobicContact CD2-CD1 4.47Å
738M95.1Very high93Very high21 Ų2154.4 Ų54.410%0.10328%0.282CS..Hα-helixtrans-63.2-46.6175.9-71-176.1-59.600111.4L734 K735 Y740 S741 S742 L769 T772 E773 F776 L806L734-M738 HydrophobicContact CD1-CG 4.49Å; L734-M738 HydrophobicContact CG-CE 4.14Å; L734-M738 HydrophobicContact CG-CG 4.48Å; L734-M738 HydrophobicContact CG-SD 4.35Å; L734-M738 WeakPolarHBondContact O-CG 3.02Å; L734-M738 PolarHBondContact O-N 3.49Å; K735-M738 HydrophobicContact CB-CE 4.43Å; K735-M738 HydrophobicContact CG-CE 4Å; K735-M738 PolarHBondContact O-N 3.08Å; M738-Y740 PolarHBondContact O-N 3.01Å; M738-S741 PolarHBondContact O-N 3.1Å; M738-S742 WeakPolarHBondContact O-CB 3.49Å; M738-S742 PolarHBondContact O-N 3.18Å; M738-L769 HydrophobicContact CB-CD1 3.95Å; M738-L769 HydrophobicContact CG-CD1 4.09Å; M738-T772 HydrophobicContact CG-CG2 4.36Å; M738-T772 HydrophobicContact SD-CG2 4.04Å; M738-E773 HydrophobicContact SD-CB 4.38Å; M738-F776 HydrophobicContact CE-CD1 3.97Å; M738-F776 HydrophobicContact CE-CG 4.19Å; M738-L806 HydrophobicContact CG-CD2 3.92Å
739N94.2Very high92.5Very high109 Ų10955.7 Ų55.758%0.58328%0.282SS*.Hα-helixtrans-61.5-45.7176.4-177.553.5000111.8K735 E736 S741 S742 V743K735-N739 WeakPolarHBondContact O-CB 3.49Å; K735-N739 PolarHBondContact O-N 2.77Å; E736-N739 PolarHBondContact O-N 3.38Å; N739-S741 VanDerWaalsContact C-N 3.32Å; N739-S741 PolarHBondContact O-N 3.32Å; N739-S742 PolarHBondContact O-N 3.05Å; N739-V743 WeakPolarHBondContact O-CG2 3.3Å; N739-V743 PolarHBondContact O-N 3.02Å
740Y92.4Very high92Very high85 Ų8558.9 Ų58.933%0.33329%0.285SS..Hα-helixtrans-58.8-44.6175.7179.1-107.5000111.9E736 L737 M738 V743 F744 V810 L814E736-Y740 VanDerWaalsContact O-CB 3.31Å; E736-Y740 WeakPolarHBondContact O-CB 3.28Å; E736-Y740 PolarHBondContact O-N 2.83Å; L737-Y740 PolarHBondContact O-N 2.87Å; M738-Y740 PolarHBondContact O-N 3.01Å; Y740-V743 PolarHBondContact O-N 2.85Å; Y740-F744 VanDerWaalsContact O-CB 3.28Å; Y740-F744 WeakPolarHBondContact O-CB 3.22Å; Y740-F744 PolarHBondContact O-N 3.23Å; Y740-V810 HydrophobicContact CD1-CG1 4.04Å; Y740-V810 HydrophobicContact CE1-CG1 3.5Å; Y740-V810 VanDerWaalsContact CE1-CG1 3.5Å; Y740-L814 HydrophobicContact CE1-CD1 4.26Å; Y740-L814 WeakPolarHBondContact OH-CD1 3.45Å
741S93.4Very high91.3Very high0 Ų060.7 Ų60.70%029%0.294CS..Hα-helixtrans-65.2-39.4178.9-57.10000112L737 M738 N739 F744 L745 L806 V810L737-S741 VanDerWaalsContact O-CB 3.27Å; L737-S741 WeakPolarHBondContact O-CB 3.39Å; L737-S741 PolarHBondContact O-N 3.1Å; L737-S741 PolarHBondContact O-OG 2.68Å; M738-S741 PolarHBondContact O-N 3.1Å; N739-S741 VanDerWaalsContact C-N 3.32Å; N739-S741 PolarHBondContact O-N 3.32Å; S741-F744 PolarHBondContact O-N 3.13Å; S741-L745 VanDerWaalsContact O-CB 3.3Å; S741-L745 WeakPolarHBondContact O-CB 3.39Å; S741-L745 PolarHBondContact O-N 2.89Å; S741-L806 WeakPolarHBondContact OG-CD2 3.44Å; S741-L806 VanDerWaalsContact OG-CG 3.26Å; S741-L806 WeakPolarHBondContact OG-CG 3.38Å; S741-V810 WeakPolarHBondContact OG-CG2 3.23Å
742S93.5Very high90.2Very high43 Ų4363.4 Ų63.430%0.30131%0.307SS..Hα-helixtrans-62.9-50.1175.1-167.90000111.3M738 N739 F744 L745 E746M738-S742 WeakPolarHBondContact O-CB 3.49Å; M738-S742 PolarHBondContact O-N 3.18Å; N739-S742 PolarHBondContact O-N 3.05Å; S742-F744 VanDerWaalsContact C-N 3.31Å; S742-F744 PolarHBondContact O-N 3.26Å; S742-L745 PolarHBondContact O-N 3.45Å; S742-E746 PolarHBondContact O-N 3.37Å
743V91.8Very high89Confident65 Ų6563.7 Ų63.739%0.39432%0.322SS..Hα-helixtrans-63.1-38.7177.5173.60000111.1N739 Y740 N747N739-V743 WeakPolarHBondContact O-CG2 3.3Å; N739-V743 PolarHBondContact O-N 3.02Å; Y740-V743 PolarHBondContact O-N 2.85Å; V743-N747 PolarHBondContact O-N 2.9Å; V743-N747 PolarHBondContact O-ND2 3.34Å
744F92.2Very high88.1Confident18 Ų1865 Ų658%0.07933%0.327CS..Hα-helixtrans-63.2-46.3174.7178.2-94.1000111.3Y740 S741 S742 N747 A748 F757 L765 V810 L813 L814Y740-F744 VanDerWaalsContact O-CB 3.28Å; Y740-F744 WeakPolarHBondContact O-CB 3.22Å; Y740-F744 PolarHBondContact O-N 3.23Å; S741-F744 PolarHBondContact O-N 3.13Å; S742-F744 VanDerWaalsContact C-N 3.31Å; S742-F744 PolarHBondContact O-N 3.26Å; F744-N747 PolarHBondContact O-N 3.08Å; F744-A748 HydrophobicContact CE1-CB 4.16Å; F744-A748 HydrophobicContact CZ-CB 4.42Å; F744-A748 VanDerWaalsContact O-CB 3.24Å; F744-A748 WeakPolarHBondContact O-CB 3.36Å; F744-A748 PolarHBondContact O-N 2.87Å; F744-F757 HydrophobicContact CZ-CE1 4.43Å; F744-F757 HydrophobicContact CZ-CZ 4.09Å; F744-L765 HydrophobicContact CD1-CD2 3.79Å; F744-L765 HydrophobicContact CE1-CD2 4.22Å; F744-V810 HydrophobicContact CB-CG1 4.45Å; F744-V810 HydrophobicContact CD1-CG1 4.16Å; F744-V810 HydrophobicContact CD2-CG1 4.47Å; F744-V810 HydrophobicContact CG-CG1 4.08Å; F744-L813 HydrophobicContact CE1-CB 3.51Å; F744-L813 HydrophobicContact CE1-CD1 3.78Å; F744-L813 HydrophobicContact CE1-CG 4.29Å; F744-L813 HydrophobicContact CZ-CB 3.54Å; F744-L814 HydrophobicContact CD2-CD2 3.85Å; F744-L814 HydrophobicContact CD2-CG 4.22Å; F744-L814 HydrophobicContact CE2-CD2 3.46Å; F744-L814 VanDerWaalsContact CE2-CD2 3.46Å; F744-L814 HydrophobicContact CE2-CG 3.76Å; F744-L814 HydrophobicContact CZ-CD2 4.4Å; F744-L814 HydrophobicContact CZ-CG 4.3Å
745L91.2Very high87.3Confident17 Ų1773.9 Ų73.99%0.08937%0.366CS..Hα-helixtrans-60.4-48.8179.2-177.867.9000111.6S741 S742 N747 A748 E749 L762 L765 A766S741-L745 VanDerWaalsContact O-CB 3.3Å; S741-L745 WeakPolarHBondContact O-CB 3.39Å; S741-L745 PolarHBondContact O-N 2.89Å; S742-L745 PolarHBondContact O-N 3.45Å; L745-N747 VanDerWaalsContact C-N 3.29Å; L745-N747 PolarHBondContact O-N 3.2Å; L745-A748 PolarHBondContact O-N 2.83Å; L745-A748 VanDerWaalsContact O-N 3.13Å; L745-E749 WeakPolarHBondContact O-CG 3.32Å; L745-E749 PolarHBondContact O-N 2.79Å; L745-L762 HydrophobicContact CD1-CB 4.03Å; L745-L762 HydrophobicContact CD1-CD2 4.21Å; L745-L765 HydrophobicContact CB-CD2 4.25Å; L745-L765 HydrophobicContact CD1-CB 4.44Å; L745-L765 HydrophobicContact CD1-CD2 4.21Å; L745-L765 HydrophobicContact CD1-CG 4.43Å; L745-A766 HydrophobicContact CD1-CB 4.36Å; L745-A766 HydrophobicContact CD2-CB 3.63Å
746E88.7Confident86.6Confident101 Ų10170.2 Ų70.247%0.47235%0.35SS..Hα-helixtrans-57.5-40.7177.3-74.5-177.3-17100112.6S742 R750S742-E746 PolarHBondContact O-N 3.37Å; E746-R750 WeakPolarHBondContact O-CG 3.43Å; E746-R750 PolarHBondContact O-N 3.34Å
747N87.4Confident86.3Confident76 Ų7664 Ų6441%0.40632%0.321SS..Hα-helixtrans-73.3-37.7177.5-73.7-50.1000112V743 F744 L745 R750 L751V743-N747 PolarHBondContact O-N 2.9Å; V743-N747 PolarHBondContact O-ND2 3.34Å; F744-N747 PolarHBondContact O-N 3.08Å; L745-N747 VanDerWaalsContact C-N 3.29Å; L745-N747 PolarHBondContact O-N 3.2Å; N747-R750 PolarHBondContact O-N 2.93Å; N747-L751 WeakPolarHBondContact O-CG 3.45Å; N747-L751 PolarHBondContact O-N 3.12Å
748A87Confident86Confident2 Ų266.2 Ų66.22%0.01734%0.336CS..Hα-helixtrans-67.9-34.8177.800000112.1F744 L745 L751 L752 F757 L762F744-A748 HydrophobicContact CE1-CB 4.16Å; F744-A748 HydrophobicContact CZ-CB 4.42Å; F744-A748 VanDerWaalsContact O-CB 3.24Å; F744-A748 WeakPolarHBondContact O-CB 3.36Å; F744-A748 PolarHBondContact O-N 2.87Å; L745-A748 PolarHBondContact O-N 2.83Å; L745-A748 VanDerWaalsContact O-N 3.13Å; A748-L751 CarbonylContact O-C 3.52Å; A748-L751 WeakPolarHBondContact O-CA 3.45Å; A748-L751 WeakPolarHBondContact O-CB 3.4Å; A748-L751 PolarHBondContact O-N 3.03Å; A748-L751 VanDerWaalsContact O-N 3.07Å; A748-L752 PolarHBondContact O-N 3.3Å; A748-F757 HydrophobicContact CB-CD2 3.82Å; A748-F757 HydrophobicContact CB-CE2 3.65Å; A748-F757 HydrophobicContact CB-CZ 4.34Å; A748-L762 HydrophobicContact CB-CD2 3.64Å
749E85.2Confident85.6Confident95 Ų9572.3 Ų72.344%0.44436%0.364SS..Hα-helixtrans-63.5-38.6172.8-75.6179.3170.400112.1L745 L751 L752 L762L745-E749 WeakPolarHBondContact O-CG 3.32Å; L745-E749 PolarHBondContact O-N 2.79Å; E749-L751 PolarHBondContact O-N 2.87Å; E749-L752 HydrophobicContact CB-CD1 4.22Å; E749-L752 HydrophobicContact CG-CD1 4.34Å; E749-L752 VanDerWaalsContact O-CB 3.29Å; E749-L752 WeakPolarHBondContact O-CB 3.19Å; E749-L752 WeakPolarHBondContact O-CD1 3.37Å; E749-L752 PolarHBondContact O-N 2.87Å; E749-L752 VanDerWaalsContact O-N 3.11Å; E749-L762 HydrophobicContact CG-CD1 4.02Å
750R83.2Confident85.4Confident184 Ų18472.2 Ų72.269%0.69437%0.367SS*.Hα-helixtrans-63.6-23.1173.1-65.9172.1-172.2-171.94112.7E746 N747E746-R750 WeakPolarHBondContact O-CG 3.43Å; E746-R750 PolarHBondContact O-N 3.34Å; N747-R750 PolarHBondContact O-N 2.93Å
751L79.3Confident85.4Confident45 Ų4569.1 Ų69.124%0.23636%0.355CS..THydrogen-bonded Turntrans-92.92.8177.9-64.7170.7000113.6N747 A748 E749 A753 E754 F757 L817N747-L751 WeakPolarHBondContact O-CG 3.45Å; N747-L751 PolarHBondContact O-N 3.12Å; A748-L751 CarbonylContact O-C 3.52Å; A748-L751 WeakPolarHBondContact O-CA 3.45Å; A748-L751 WeakPolarHBondContact O-CB 3.4Å; A748-L751 PolarHBondContact O-N 3.03Å; A748-L751 VanDerWaalsContact O-N 3.07Å; E749-L751 PolarHBondContact O-N 2.87Å; L751-A753 PolarHBondContact O-N 3.06Å; L751-E754 HydrophobicContact CD2-CG 4.33Å; L751-E754 WeakPolarHBondContact O-CB 3.19Å; L751-E754 PolarHBondContact O-N 3.47Å; L751-F757 HydrophobicContact CB-CD2 4.5Å; L751-F757 HydrophobicContact CB-CE2 4.38Å; L751-F757 HydrophobicContact CD1-CE2 4.29Å; L751-L817 HydrophobicContact CD1-CD1 4.16Å
752L73.7Confident85.3Confident73 Ų7369.4 Ų69.438%0.38236%0.357SS..G310 helixtrans-54.6-36.6174.5-88.3156.1000112A748 E749 E754 K755 L762A748-L752 PolarHBondContact O-N 3.3Å; E749-L752 HydrophobicContact CB-CD1 4.22Å; E749-L752 HydrophobicContact CG-CD1 4.34Å; E749-L752 VanDerWaalsContact O-CB 3.29Å; E749-L752 WeakPolarHBondContact O-CB 3.19Å; E749-L752 WeakPolarHBondContact O-CD1 3.37Å; E749-L752 PolarHBondContact O-N 2.87Å; E749-L752 VanDerWaalsContact O-N 3.11Å; L752-E754 PolarHBondContact O-N 2.88Å; L752-K755 PolarHBondContact O-N 2.94Å; L752-K755 VanDerWaalsContact O-N 3.09Å; L752-L762 HydrophobicContact CD1-CD1 3.85Å; L752-L762 HydrophobicContact CD2-CD1 3.91Å; L752-L762 HydrophobicContact CG-CD1 3.67Å
753A69.4Low85.2Confident95 Ų9571.3 Ų71.379%0.78537%0.367SS*.G310 helixtrans-62.1-26.317700000113.3L751 K755L751-A753 PolarHBondContact O-N 3.06Å; A753-K755 VanDerWaalsContact C-N 3.29Å; A753-K755 PolarHBondContact O-N 3.27Å
754E73.4Confident85.3Confident90 Ų9071.2 Ų71.242%0.42137%0.366SS..G310 helixtrans-83.7-0.6178.4-60.9-161.8-171.700113.1L751 L752 I756 K824L751-E754 HydrophobicContact CD2-CG 4.33Å; L751-E754 WeakPolarHBondContact O-CB 3.19Å; L751-E754 PolarHBondContact O-N 3.47Å; L752-E754 PolarHBondContact O-N 2.88Å; E754-I756 HydrophobicContact CB-CD1 3.83Å; E754-I756 HydrophobicContact CB-CG1 3.79Å; E754-I756 PolarHBondContact O-N 3.2Å; E754-K824 IonicContact OE2-NZ 2.75Å
755K78Confident85.3Confident189 Ų18970.3 Ų70.382%0.82236%0.362SS*.THydrogen-bonded Turntrans54.328.3-177.9-59.7-175.3178.3-178.30114.2L752 A753L752-K755 PolarHBondContact O-N 2.94Å; L752-K755 VanDerWaalsContact O-N 3.09Å; A753-K755 VanDerWaalsContact C-N 3.29Å; A753-K755 PolarHBondContact O-N 3.27Å
756I81.3Confident85.5Confident8 Ų871 Ų714%0.04137%0.371CS..SBendtrans-75.7-41.7178.3-58.3176.4000110.5E754 K816 L817 H820E754-I756 HydrophobicContact CB-CD1 3.83Å; E754-I756 HydrophobicContact CB-CG1 3.79Å; E754-I756 PolarHBondContact O-N 3.2Å; I756-K816 WeakPolarHBondContact O-CE 3.47Å; I756-L817 HydrophobicContact CD1-CD1 3.89Å; I756-L817 HydrophobicContact CG2-CD1 3.98Å; I756-H820 HydrophobicContact CG1-CB 4.48Å; I756-H820 HydrophobicContact CG2-CB 4.14Å
757F87.5Confident85.8Confident9 Ų972.4 Ų72.44%0.03938%0.375CS..SBendtrans-114.8152.1179.6-50.3-66.7000110.2F744 A748 L751 L762 L813 K816 L817F744-F757 HydrophobicContact CZ-CE1 4.43Å; F744-F757 HydrophobicContact CZ-CZ 4.09Å; A748-F757 HydrophobicContact CB-CD2 3.82Å; A748-F757 HydrophobicContact CB-CE2 3.65Å; A748-F757 HydrophobicContact CB-CZ 4.34Å; L751-F757 HydrophobicContact CB-CD2 4.5Å; L751-F757 HydrophobicContact CB-CE2 4.38Å; L751-F757 HydrophobicContact CD1-CE2 4.29Å; F757-L762 HydrophobicContact CB-CD1 4.24Å; F757-L762 HydrophobicContact CB-CD2 3.99Å; F757-L762 HydrophobicContact CB-CG 4.03Å; F757-L762 HydrophobicContact CD2-CD2 4.42Å; F757-L762 HydrophobicContact CG-CD2 4.17Å; F757-L813 HydrophobicContact CD1-CB 4.41Å; F757-L813 HydrophobicContact CD1-CD2 4.02Å; F757-L813 HydrophobicContact CE1-CB 3.99Å; F757-L813 HydrophobicContact CE1-CD2 4.43Å; F757-L813 WeakPolarHBondContact CE1-O 3.37Å; F757-K816 HydrophobicContact CD1-CD 4.4Å; F757-K816 HydrophobicContact CE1-CB 4.45Å; F757-L817 HydrophobicContact CE1-CB 4.37Å; F757-L817 HydrophobicContact CE2-CD1 4.43Å; F757-L817 HydrophobicContact CZ-CB 3.91Å; F757-L817 HydrophobicContact CZ-CD1 4.11Å; F757-L817 HydrophobicContact CZ-CG 4.41Å
758T87.9Confident86.2Confident66 Ų6670.5 Ų70.541%0.40537%0.365SS..  trans-90.4153.2171640000110.3V760 E761 L762T758-V760 PolarHBondContact O-N 2.84Å; T758-E761 PolarHBondContact N-OE2 2.9Å; T758-E761 WeakPolarHBondContact O-CB 3.44Å; T758-E761 PolarHBondContact O-N 2.94Å; T758-E761 VanDerWaalsContact O-N 3.16Å; T758-E761 WeakPolarHBondContact OG1-CB 3.13Å; T758-E761 VanDerWaalsContact OG1-CD 3.24Å; T758-E761 WeakPolarHBondContact OG1-CG 3.28Å; T758-E761 PolarHBondContact OG1-N 3.48Å; T758-E761 PolarHBondContact OG1-OE2 3.3Å; T758-L762 PolarHBondContact O-N 3.3Å
759E87.4Confident86.6Confident149 Ų14971.1 Ų71.170%0.69637%0.368SS*.Hα-helixtrans-57.9-35.7174.5-169.7175.8-175.300111.7T763E759-T763 VanDerWaalsContact O-CB 3.26Å; E759-T763 WeakPolarHBondContact O-CB 3.38Å; E759-T763 PolarHBondContact O-N 3.27Å; E759-T763 PolarHBondContact O-OG1 2.76Å
760V90.5Very high87.1Confident107 Ų10771.3 Ų71.365%0.64837%0.372SS*.Hα-helixtrans-63.6-43176.6-179.70000111.8T758 T763 T764T758-V760 PolarHBondContact O-N 2.84Å; V760-T763 PolarHBondContact O-N 2.8Å; V760-T764 WeakPolarHBondContact O-CB 3.33Å; V760-T764 PolarHBondContact O-N 3.42Å; V760-T764 PolarHBondContact O-OG1 2.87Å
761E91.6Very high87.7Confident20 Ų2067 Ų679%0.09336%0.359CS..Hα-helixtrans-63-47.9178.4-79.8165.6153.900111.7T758 T764 L765 Y812 L813 K816T758-E761 PolarHBondContact N-OE2 2.9Å; T758-E761 WeakPolarHBondContact O-CB 3.44Å; T758-E761 PolarHBondContact O-N 2.94Å; T758-E761 VanDerWaalsContact O-N 3.16Å; T758-E761 WeakPolarHBondContact OG1-CB 3.13Å; T758-E761 VanDerWaalsContact OG1-CD 3.24Å; T758-E761 WeakPolarHBondContact OG1-CG 3.28Å; T758-E761 PolarHBondContact OG1-N 3.48Å; T758-E761 PolarHBondContact OG1-OE2 3.3Å; E761-T764 WeakPolarHBondContact O-CB 3.45Å; E761-T764 PolarHBondContact O-N 2.93Å; E761-L765 PolarHBondContact O-N 2.85Å; E761-Y812 HydrophobicContact CG-CE1 4.21Å; E761-Y812 WeakPolarHBondContact OE1-CE1 3.38Å; E761-Y812 PolarHBondContact OE1-OH 3.43Å; E761-L813 HydrophobicContact CB-CD2 3.83Å; E761-L813 HydrophobicContact CG-CD2 4.13Å; E761-K816 IonicContact OE1-NZ 2.71Å; E761-K816 PolarHBondContact OE1-NZ 3.5Å; E761-K816 IonicContact OE2-NZ 3.82Å; E761-K816 PolarHBondContact OE2-NZ 3.48Å
762L90.4Very high88.5Confident6 Ų664.9 Ų64.93%0.03135%0.348CS..Hα-helixtrans-67.3-39.3178.5-59.4-176000111.4L745 A748 E749 L752 F757 T758 T764 L765 A766 L813L745-L762 HydrophobicContact CD1-CB 4.03Å; L745-L762 HydrophobicContact CD1-CD2 4.21Å; A748-L762 HydrophobicContact CB-CD2 3.64Å; E749-L762 HydrophobicContact CG-CD1 4.02Å; L752-L762 HydrophobicContact CD1-CD1 3.85Å; L752-L762 HydrophobicContact CD2-CD1 3.91Å; L752-L762 HydrophobicContact CG-CD1 3.67Å; F757-L762 HydrophobicContact CB-CD1 4.24Å; F757-L762 HydrophobicContact CB-CD2 3.99Å; F757-L762 HydrophobicContact CB-CG 4.03Å; F757-L762 HydrophobicContact CD2-CD2 4.42Å; F757-L762 HydrophobicContact CG-CD2 4.17Å; T758-L762 PolarHBondContact O-N 3.3Å; L762-T764 VanDerWaalsContact C-N 3.26Å; L762-T764 PolarHBondContact O-N 3Å; L762-L765 PolarHBondContact O-N 2.83Å; L762-A766 VanDerWaalsContact O-CB 3.24Å; L762-A766 WeakPolarHBondContact O-CB 3.48Å; L762-A766 PolarHBondContact O-N 3.48Å; L762-L813 HydrophobicContact CD2-CD1 4.36Å
763T92.4Very high89.5Confident82 Ų8266.4 Ų66.450%0.50335%0.354SS..Hα-helixtrans-62.6-34.8173.8-54.90000111.7E759 V760 K767E759-T763 VanDerWaalsContact O-CB 3.26Å; E759-T763 WeakPolarHBondContact O-CB 3.38Å; E759-T763 PolarHBondContact O-N 3.27Å; E759-T763 PolarHBondContact O-OG1 2.76Å; V760-T763 PolarHBondContact O-N 2.8Å; T763-K767 WeakPolarHBondContact O-CB 3.44Å; T763-K767 PolarHBondContact O-N 2.82Å
764T93.1Very high90.7Very high63 Ų6364.9 Ų64.939%0.38734%0.335SS..Hα-helixtrans-68-47.3177.5-58.40000111V760 E761 L762 K767 L768V760-T764 WeakPolarHBondContact O-CB 3.33Å; V760-T764 PolarHBondContact O-N 3.42Å; V760-T764 PolarHBondContact O-OG1 2.87Å; E761-T764 WeakPolarHBondContact O-CB 3.45Å; E761-T764 PolarHBondContact O-N 2.93Å; L762-T764 VanDerWaalsContact C-N 3.26Å; L762-T764 PolarHBondContact O-N 3Å; T764-K767 PolarHBondContact O-N 2.86Å; T764-L768 WeakPolarHBondContact O-CB 3.4Å; T764-L768 PolarHBondContact O-N 2.8Å
765L93.6Very high91.9Very high0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-62.9-45.5174.8177.461.7000111.3F744 L745 E761 L762 K767 L768 L769 L806 E809 V810 L813F744-L765 HydrophobicContact CD1-CD2 3.79Å; F744-L765 HydrophobicContact CE1-CD2 4.22Å; L745-L765 HydrophobicContact CB-CD2 4.25Å; L745-L765 HydrophobicContact CD1-CB 4.44Å; L745-L765 HydrophobicContact CD1-CD2 4.21Å; L745-L765 HydrophobicContact CD1-CG 4.43Å; E761-L765 PolarHBondContact O-N 2.85Å; L762-L765 PolarHBondContact O-N 2.83Å; L765-K767 VanDerWaalsContact C-N 3.33Å; L765-K767 PolarHBondContact O-N 3.07Å; L765-L768 PolarHBondContact O-N 2.78Å; L765-L769 VanDerWaalsContact O-CB 3.29Å; L765-L769 WeakPolarHBondContact O-CB 3.34Å; L765-L769 PolarHBondContact O-N 3.4Å; L765-L806 HydrophobicContact CD1-CD1 3.84Å; L765-E809 HydrophobicContact CB-CG 4.19Å; L765-E809 HydrophobicContact CD1-CB 4.16Å; L765-E809 HydrophobicContact CD1-CG 4.1Å; L765-V810 HydrophobicContact CD1-CG2 3.75Å; L765-V810 HydrophobicContact CD2-CG2 4.15Å; L765-L813 HydrophobicContact CB-CD1 4.19Å; L765-L813 HydrophobicContact CD2-CD1 3.87Å
766A94Very high92.7Very high32 Ų3254.1 Ų54.126%0.26429%0.285SS..Hα-helixtrans-58.6-44.8177.800000111.7L745 L762 L769 N770L745-A766 HydrophobicContact CD1-CB 4.36Å; L745-A766 HydrophobicContact CD2-CB 3.63Å; L762-A766 VanDerWaalsContact O-CB 3.24Å; L762-A766 WeakPolarHBondContact O-CB 3.48Å; L762-A766 PolarHBondContact O-N 3.48Å; A766-L769 PolarHBondContact O-N 3.04Å; A766-N770 WeakPolarHBondContact O-CB 3.43Å; A766-N770 PolarHBondContact O-N 2.81Å
767K95.2Very high93.4Very high130 Ų13057.3 Ų57.357%0.56531%0.305SS*.Hα-helixtrans-62.8-47.8176.2-179.8177.1171.4-179.40111.4T763 T764 L765 L769 N770 E771T763-K767 WeakPolarHBondContact O-CB 3.44Å; T763-K767 PolarHBondContact O-N 2.82Å; T764-K767 PolarHBondContact O-N 2.86Å; L765-K767 VanDerWaalsContact C-N 3.33Å; L765-K767 PolarHBondContact O-N 3.07Å; K767-L769 PolarHBondContact O-N 2.79Å; K767-N770 PolarHBondContact O-N 2.82Å; K767-E771 WeakPolarHBondContact CE-OE1 3.44Å; K767-E771 HydrophobicContact CG-CG 4.4Å; K767-E771 IonicContact NZ-OE1 2.67Å; K767-E771 WeakPolarHBondContact O-CB 3.4Å; K767-E771 VanDerWaalsContact O-CG 3.29Å; K767-E771 WeakPolarHBondContact O-CG 3.3Å; K767-E771 PolarHBondContact O-N 2.97Å
768L95.4Very high93.8Very high36 Ų3661.3 Ų61.319%0.18832%0.324CS..Hα-helixtrans-63.7-40.8179.5-179.262.4000112.1T764 L765 T772 L806 E809T764-L768 WeakPolarHBondContact O-CB 3.4Å; T764-L768 PolarHBondContact O-N 2.8Å; L765-L768 PolarHBondContact O-N 2.78Å; L768-T772 VanDerWaalsContact O-CB 3.28Å; L768-T772 WeakPolarHBondContact O-CB 3.37Å; L768-T772 PolarHBondContact O-N 3.07Å; L768-T772 PolarHBondContact O-OG1 3.22Å; L768-L806 HydrophobicContact CD2-CD1 4.32Å; L768-L806 HydrophobicContact CG-CD1 4.29Å; L768-E809 HydrophobicContact CD2-CB 4.09Å
769L95.7Very high94.1Very high14 Ų1459.6 Ų59.67%0.07331%0.312CS..Hα-helixtrans-61.4-50.3175.7-179.761.5000110.5M738 L765 A766 K767 E771 T772 E773 L806M738-L769 HydrophobicContact CB-CD1 3.95Å; M738-L769 HydrophobicContact CG-CD1 4.09Å; L765-L769 VanDerWaalsContact O-CB 3.29Å; L765-L769 WeakPolarHBondContact O-CB 3.34Å; L765-L769 PolarHBondContact O-N 3.4Å; A766-L769 PolarHBondContact O-N 3.04Å; K767-L769 PolarHBondContact O-N 2.79Å; L769-E771 PolarHBondContact O-N 3.35Å; L769-T772 PolarHBondContact O-N 3.45Å; L769-E773 WeakPolarHBondContact O-CB 3.34Å; L769-E773 PolarHBondContact O-N 2.81Å; L769-L806 HydrophobicContact CB-CD1 4.33Å; L769-L806 HydrophobicContact CD1-CD1 4.3Å; L769-L806 HydrophobicContact CD1-CD2 4.1Å
770N95.3Very high94.4Very high99 Ų9955.1 Ų55.153%0.52929%0.291SS..Hα-helixtrans-64-39.9178.9-175.365.4000112.5A766 K767 T772 T774A766-N770 WeakPolarHBondContact O-CB 3.43Å; A766-N770 PolarHBondContact O-N 2.81Å; K767-N770 PolarHBondContact O-N 2.82Å; N770-T772 VanDerWaalsContact C-N 3.33Å; N770-T774 VanDerWaalsContact O-CB 3.3Å; N770-T774 WeakPolarHBondContact O-CB 3.48Å; N770-T774 PolarHBondContact O-N 3.1Å; N770-T774 PolarHBondContact O-OG1 3.23Å
771E95.8Very high94.6Very high93 Ų9355.6 Ų55.644%0.43529%0.286SS..Hα-helixtrans-64.2-38.4173.8-76.7176.5179.400111.9K767 L769 W775K767-E771 WeakPolarHBondContact CE-OE1 3.44Å; K767-E771 HydrophobicContact CG-CG 4.4Å; K767-E771 IonicContact NZ-OE1 2.67Å; K767-E771 WeakPolarHBondContact O-CB 3.4Å; K767-E771 VanDerWaalsContact O-CG 3.29Å; K767-E771 WeakPolarHBondContact O-CG 3.3Å; K767-E771 PolarHBondContact O-N 2.97Å; L769-E771 PolarHBondContact O-N 3.35Å; E771-W775 WeakPolarHBondContact O-CB 3.42Å; E771-W775 PolarHBondContact O-N 2.83Å
772T96.2Very high94.8Very high1 Ų159.5 Ų59.51%0.00630%0.303CS..Hα-helixtrans-70.4-43178-58.10000111.2L734 M738 L768 L769 N770 F776 K802L734-T772 HydrophobicContact CD1-CG2 4.12Å; M738-T772 HydrophobicContact CG-CG2 4.36Å; M738-T772 HydrophobicContact SD-CG2 4.04Å; L768-T772 VanDerWaalsContact O-CB 3.28Å; L768-T772 WeakPolarHBondContact O-CB 3.37Å; L768-T772 PolarHBondContact O-N 3.07Å; L768-T772 PolarHBondContact O-OG1 3.22Å; L769-T772 PolarHBondContact O-N 3.45Å; N770-T772 VanDerWaalsContact C-N 3.33Å; T772-F776 WeakPolarHBondContact O-CB 3.34Å; T772-F776 PolarHBondContact O-N 2.65Å; T772-K802 HydrophobicContact CG2-CB 4.24Å
773E95.5Very high95Very high105 Ų10560.3 Ų60.349%0.49131%0.306SS..Hα-helixtrans-64.2-47.8176.4-172.6172.3-16600111M738 L769 W775 F776 T777M738-E773 HydrophobicContact SD-CB 4.38Å; L769-E773 WeakPolarHBondContact O-CB 3.34Å; L769-E773 PolarHBondContact O-N 2.81Å; E773-W775 PolarHBondContact O-N 2.82Å; E773-F776 PolarHBondContact O-N 3.45Å; E773-T777 PolarHBondContact O-N 3.19Å; E773-T777 PolarHBondContact O-OG1 3.36Å
774T95.7Very high95Very high63 Ų6362.6 Ų62.639%0.38732%0.316SS..Hα-helixtrans-59.1-48.9176.5-550000111N770 F776 T777 E778N770-T774 VanDerWaalsContact O-CB 3.3Å; N770-T774 WeakPolarHBondContact O-CB 3.48Å; N770-T774 PolarHBondContact O-N 3.1Å; N770-T774 PolarHBondContact O-OG1 3.23Å; T774-F776 VanDerWaalsContact C-N 3.33Å; T774-F776 PolarHBondContact O-N 2.96Å; T774-T777 PolarHBondContact O-N 3.13Å; T774-E778 WeakPolarHBondContact O-CB 3.49Å; T774-E778 WeakPolarHBondContact O-CG 3.45Å; T774-E778 PolarHBondContact O-N 3.39Å
775W96.7Very high95Very high46 Ų4666.4 Ų66.417%0.17433%0.329CS..Hα-helixtrans-59.7-44.4176168.883.1000111.8L734 E771 E773 E778 M779 L794 A798 L799 K802L734-W775 HydrophobicContact CD2-CZ3 3.91Å; E771-W775 WeakPolarHBondContact O-CB 3.42Å; E771-W775 PolarHBondContact O-N 2.83Å; E773-W775 PolarHBondContact O-N 2.82Å; W775-E778 PolarHBondContact O-N 2.93Å; W775-M779 HydrophobicContact CD2-CG 4.11Å; W775-M779 HydrophobicContact CG-CG 4.3Å; W775-M779 HydrophobicContact CZ2-CG 3.9Å; W775-M779 WeakPolarHBondContact O-CB 3.47Å; W775-M779 VanDerWaalsContact O-CG 3.28Å; W775-M779 WeakPolarHBondContact O-CG 3.46Å; W775-M779 PolarHBondContact O-N 3.02Å; W775-L794 HydrophobicContact CH2-CD1 3.59Å; W775-L794 HydrophobicContact CZ2-CD1 4.03Å; W775-L794 HydrophobicContact CZ3-CD1 4.27Å; W775-A798 HydrophobicContact CH2-CB 4.21Å; W775-A798 HydrophobicContact CZ2-CB 3.9Å; W775-L799 HydrophobicContact CH2-CD2 4.2Å; W775-L799 HydrophobicContact CZ3-CD2 4.24Å; W775-K802 HydrophobicContact CD2-CD 4.24Å; W775-K802 HydrophobicContact CD2-CG 4.09Å; W775-K802 HydrophobicContact CE3-CB 4.37Å; W775-K802 HydrophobicContact CE3-CD 4.19Å; W775-K802 HydrophobicContact CE3-CG 3.75Å; W775-K802 HydrophobicContact CH2-CB 4.46Å; W775-K802 HydrophobicContact CH2-CG 3.84Å; W775-K802 HydrophobicContact CZ2-CG 4.15Å; W775-K802 HydrophobicContact CZ3-CB 4.02Å; W775-K802 HydrophobicContact CZ3-CG 3.63Å
776F96.7Very high94.9Very high7 Ų767.5 Ų67.53%0.03134%0.336CS..Hα-helixtrans-64.2-46.9-178.1175.5-101000110.7V731 L734 K735 M738 T772 E773 T774 E778 M779 E780 L794 L799V731-F776 HydrophobicContact CG1-CE2 3.95Å; V731-F776 HydrophobicContact CG1-CZ 3.63Å; V731-F776 HydrophobicContact CG2-CE2 4.17Å; L734-F776 HydrophobicContact CD2-CB 4.45Å; L734-F776 HydrophobicContact CD2-CD2 3.72Å; L734-F776 HydrophobicContact CD2-CE2 4.42Å; L734-F776 HydrophobicContact CD2-CG 4.27Å; K735-F776 HydrophobicContact CD-CE1 4.48Å; K735-F776 HydrophobicContact CD-CZ 4.48Å; K735-F776 HydrophobicContact CG-CE1 4.33Å; K735-F776 HydrophobicContact CG-CZ 4.42Å; M738-F776 HydrophobicContact CE-CD1 3.97Å; M738-F776 HydrophobicContact CE-CG 4.19Å; T772-F776 WeakPolarHBondContact O-CB 3.34Å; T772-F776 PolarHBondContact O-N 2.65Å; E773-F776 PolarHBondContact O-N 3.45Å; T774-F776 VanDerWaalsContact C-N 3.33Å; T774-F776 PolarHBondContact O-N 2.96Å; F776-E778 PolarHBondContact O-N 3.28Å; F776-M779 PolarHBondContact O-N 3.26Å; F776-E780 HydrophobicContact CE1-CB 4.36Å; F776-E780 VanDerWaalsContact CE1-OE2 3.23Å; F776-E780 WeakPolarHBondContact CE1-OE2 3.18Å; F776-E780 HydrophobicContact CZ-CB 4.18Å; F776-E780 VanDerWaalsContact CZ-CD 3.42Å; F776-E780 HydrophobicContact CZ-CG 4.18Å; F776-E780 WeakPolarHBondContact CZ-OE1 3.16Å; F776-E780 WeakPolarHBondContact O-CB 3.4Å; F776-E780 PolarHBondContact O-N 3.36Å; F776-L794 HydrophobicContact CE2-CD2 4.14Å; F776-L799 HydrophobicContact CD2-CD2 4Å; F776-L799 HydrophobicContact CE2-CD2 3.99Å
777T94.8Very high94.8Very high75 Ų7566.9 Ų66.946%0.4633%0.33SS..Hα-helixtrans-60.8-45.4176.1-55.80000111.6E773 T774 M779 E781E773-T777 PolarHBondContact O-N 3.19Å; E773-T777 PolarHBondContact O-OG1 3.36Å; T774-T777 PolarHBondContact O-N 3.13Å; T777-M779 PolarHBondContact O-N 3.26Å; T777-E781 WeakPolarHBondContact O-CB 3.26Å; T777-E781 PolarHBondContact O-N 3.32Å
778E95.4Very high94.6Very high94 Ų9464.2 Ų64.244%0.43933%0.326SS..Hα-helixtrans-62.1-42.6177.2-75.7-178.2-166.800112.6T774 W775 F776 K782T774-E778 WeakPolarHBondContact O-CB 3.49Å; T774-E778 WeakPolarHBondContact O-CG 3.45Å; T774-E778 PolarHBondContact O-N 3.39Å; W775-E778 PolarHBondContact O-N 2.93Å; F776-E778 PolarHBondContact O-N 3.28Å; E778-K782 WeakPolarHBondContact O-CB 3.48Å; E778-K782 VanDerWaalsContact O-CG 3.27Å; E778-K782 WeakPolarHBondContact O-CG 3.46Å; E778-K782 PolarHBondContact O-N 3.32Å
779M95.4Very high94.5Very high29 Ų2967.1 Ų67.114%0.14334%0.336CS..Hα-helixtrans-76.4-35.5-179.5-67.4-55.2108.400112.4W775 F776 T777 E781 K782 Q783 L794W775-M779 HydrophobicContact CD2-CG 4.11Å; W775-M779 HydrophobicContact CG-CG 4.3Å; W775-M779 HydrophobicContact CZ2-CG 3.9Å; W775-M779 WeakPolarHBondContact O-CB 3.47Å; W775-M779 VanDerWaalsContact O-CG 3.28Å; W775-M779 WeakPolarHBondContact O-CG 3.46Å; W775-M779 PolarHBondContact O-N 3.02Å; F776-M779 PolarHBondContact O-N 3.26Å; T777-M779 PolarHBondContact O-N 3.26Å; M779-E781 VanDerWaalsContact C-N 3.34Å; M779-K782 HydrophobicContact CE-CD 3.77Å; M779-K782 PolarHBondContact O-N 2.72Å; M779-K782 HydrophobicContact SD-CD 4.33Å; M779-Q783 WeakPolarHBondContact O-CB 3.49Å; M779-Q783 PolarHBondContact O-N 3.03Å; M779-L794 HydrophobicContact CB-CB 4.31Å; M779-L794 HydrophobicContact CB-CD1 3.81Å
780E94.1Very high94.3Very high56 Ų5671.2 Ų71.226%0.26235%0.354SS..Hα-helixtrans-63.9-42.1174.4-169.4175.1-135.400109.7K735 F776 Q783 N784 L794K735-E780 IonicContact NZ-OE1 2.64Å; K735-E780 PolarHBondContact NZ-OE1 2.76Å; K735-E780 IonicContact NZ-OE2 3.83Å; F776-E780 HydrophobicContact CE1-CB 4.36Å; F776-E780 VanDerWaalsContact CE1-OE2 3.23Å; F776-E780 WeakPolarHBondContact CE1-OE2 3.18Å; F776-E780 HydrophobicContact CZ-CB 4.18Å; F776-E780 VanDerWaalsContact CZ-CD 3.42Å; F776-E780 HydrophobicContact CZ-CG 4.18Å; F776-E780 WeakPolarHBondContact CZ-OE1 3.16Å; F776-E780 WeakPolarHBondContact O-CB 3.4Å; F776-E780 PolarHBondContact O-N 3.36Å; E780-Q783 PolarHBondContact O-N 3.27Å; E780-N784 WeakPolarHBondContact O-CB 3.29Å; E780-N784 PolarHBondContact O-N 3.2Å; E780-N784 PolarHBondContact O-ND2 3.2Å; E780-N784 VanDerWaalsContact O-ND2 3.13Å; E780-L794 HydrophobicContact CB-CD2 4.45Å
781E94.1Very high94.3Very high117 Ų11770.7 Ų70.755%0.54735%0.352SS..Hα-helixtrans-62.9-49.4173.7-174.3177.3-173.200112T777 M779 Q783 N784 Q785T777-E781 WeakPolarHBondContact O-CB 3.26Å; T777-E781 PolarHBondContact O-N 3.32Å; M779-E781 VanDerWaalsContact C-N 3.34Å; E781-Q783 VanDerWaalsContact C-N 3.27Å; E781-Q783 PolarHBondContact O-N 2.98Å; E781-N784 PolarHBondContact O-N 2.82Å; E781-Q785 WeakPolarHBondContact O-CG 3.46Å; E781-Q785 PolarHBondContact O-N 2.84Å; E781-Q785 VanDerWaalsContact O-N 3.17Å
782K95Very high94.2Very high102 Ų10266.8 Ų66.844%0.44333%0.334SS..Hα-helixtrans-60.1-39.6176.4-74.1170.8-178.4165.30111.6E778 M779 Q785 T786 V793E778-K782 WeakPolarHBondContact O-CB 3.48Å; E778-K782 VanDerWaalsContact O-CG 3.27Å; E778-K782 WeakPolarHBondContact O-CG 3.46Å; E778-K782 PolarHBondContact O-N 3.32Å; M779-K782 HydrophobicContact CE-CD 3.77Å; M779-K782 PolarHBondContact O-N 2.72Å; M779-K782 HydrophobicContact SD-CD 4.33Å; K782-Q785 PolarHBondContact O-N 2.88Å; K782-T786 PolarHBondContact O-N 2.77Å; K782-T786 PolarHBondContact O-OG1 3.3Å; K782-V793 HydrophobicContact CB-CG2 3.83Å
783Q94.2Very high94.1Very high22 Ų2269.9 Ų69.910%0.10335%0.353CS..Hα-helixtrans-67.6-38178.9-177.557.667.300112.3R727 M779 E780 E781 Q785 T786 V793 L794R727-Q783 VanDerWaalsContact NH1-CG 3.29Å; R727-Q783 VanDerWaalsContact NH1-NE2 3.14Å; M779-Q783 WeakPolarHBondContact O-CB 3.49Å; M779-Q783 PolarHBondContact O-N 3.03Å; E780-Q783 PolarHBondContact O-N 3.27Å; E781-Q783 VanDerWaalsContact C-N 3.27Å; E781-Q783 PolarHBondContact O-N 2.98Å; Q783-Q785 PolarHBondContact O-N 3.3Å; Q783-T786 PolarHBondContact O-N 3.15Å; Q783-V793 HydrophobicContact CB-CG2 3.85Å; Q783-L794 HydrophobicContact CB-CB 3.82Å; Q783-L794 HydrophobicContact CG-CB 4.03Å; Q783-L794 VanDerWaalsContact OE1-N 3.07Å
784N92.4Very high94.1Very high131 Ų13165.1 Ų65.170%0.70133%0.331SS*.Hα-helixtrans-66.8-23175.2-69.9-25.1000112.5E780 E781E780-N784 WeakPolarHBondContact O-CB 3.29Å; E780-N784 PolarHBondContact O-N 3.2Å; E780-N784 PolarHBondContact O-ND2 3.2Å; E780-N784 VanDerWaalsContact O-ND2 3.13Å; E781-N784 PolarHBondContact O-N 2.82Å
785Q93Very high94.1Very high142 Ų14263.5 Ų63.566%0.66432%0.321SS*.Hα-helixtrans-90.2-18174.3-65.3174.116.100113.4E781 K782 Q783E781-Q785 WeakPolarHBondContact O-CG 3.46Å; E781-Q785 PolarHBondContact O-N 2.84Å; E781-Q785 VanDerWaalsContact O-N 3.17Å; K782-Q785 PolarHBondContact O-N 2.88Å; Q783-Q785 PolarHBondContact O-N 3.3Å
786T92.6Very high94Very high23 Ų2361.9 Ų61.914%0.14132%0.316CS..SBendtrans-75.8130.1179.8-56.10000109.3K782 Q783 E790K782-T786 PolarHBondContact O-N 2.77Å; K782-T786 PolarHBondContact O-OG1 3.3Å; Q783-T786 PolarHBondContact O-N 3.15Å; T786-E790 HydrophobicContact CG2-CB 3.66Å
787A92.7Very high93.9Very high19 Ų1964.8 Ų64.816%0.15734%0.342CS..  trans-65.7149.6-179.700000111Y789 E790A787-Y789 HydrophobicContact CB-CD1 4.04Å; A787-Y789 HydrophobicContact CB-CD2 4.04Å; A787-Y789 HydrophobicContact CB-CE1 3.6Å; A787-Y789 HydrophobicContact CB-CE2 3.59Å; A787-Y789 HydrophobicContact CB-CG 4.24Å; A787-Y789 PolarHBondContact O-N 3.13Å; A787-Y789 VanDerWaalsContact O-N 3.07Å; A787-E790 HydrophobicContact CB-CG 4.19Å; A787-E790 PolarHBondContact N-OE2 3.32Å; A787-E790 PolarHBondContact O-N 3.22Å
788P91Very high94Very high74 Ų7462.3 Ų62.348%0.48133%0.329SS..THydrogen-bonded Turntrans-62.1-20.9-178.4-22.933.3000114.4I670 L671I670-P788 WeakPolarHBondContact O-CB 3.25Å; L671-P788 HydrophobicContact CD2-CB 4.3Å; L671-P788 WeakPolarHBondContact CD2-O 3.41Å
789Y91.8Very high94Very high98 Ų9858 Ų5838%0.38431%0.309SS..THydrogen-bonded Turntrans-90.64.6175.156.9-104.9000114.1L671 N673 R720 A787L671-Y789 WeakPolarHBondContact O-CA 3.45Å; N673-Y789 HydrophobicContact CB-CD1 4.41Å; N673-Y789 HydrophobicContact CB-CD2 4.03Å; N673-Y789 HydrophobicContact CB-CE2 4.43Å; N673-Y789 HydrophobicContact CB-CG 4.03Å; R720-Y789 PolarHBondContact NE-O 3.47Å; R720-Y789 PolarHBondContact NH1-O 3.22Å; R720-Y789 PolarHBondContact NH2-O 3.22Å; A787-Y789 HydrophobicContact CB-CD1 4.04Å; A787-Y789 HydrophobicContact CB-CD2 4.04Å; A787-Y789 HydrophobicContact CB-CE1 3.6Å; A787-Y789 HydrophobicContact CB-CE2 3.59Å; A787-Y789 HydrophobicContact CB-CG 4.24Å; A787-Y789 PolarHBondContact O-N 3.13Å; A787-Y789 VanDerWaalsContact O-N 3.07Å
790E93.1Very high93.9Very high100 Ų10061 Ų6147%0.46732%0.323SS..SBendtrans-101.3153.7170.9-68.9176.5163.100109.6T786 A787T786-E790 HydrophobicContact CG2-CB 3.66Å; A787-E790 HydrophobicContact CB-CG 4.19Å; A787-E790 PolarHBondContact N-OE2 3.32Å; A787-E790 PolarHBondContact O-N 3.22Å
791D93.3Very high93.9Very high88 Ų8864.8 Ų64.847%0.47134%0.341SS..PPolyproline II helixtrans-64.8134.4178.4-70.4-2.8000109.7R720 V793R720-D791 IonicContact CZ-OD1 2.93Å; R720-D791 IonicContact NE-OD1 2.68Å; R720-D791 PolarHBondContact NE-OD1 3.19Å; R720-D791 IonicContact NH2-OD1 3.85Å; R720-D791 PolarHBondContact NH2-OD1 2.69Å; D791-V793 PolarHBondContact O-N 3.36Å
792P93.9Very high93.9Very high11 Ų1162.3 Ų62.37%0.07133%0.329CS..PPolyproline II helixtrans-65.6135.7-174.525.4-33.4000111.8Y719 E723 R727 T795Y719-P792 HydrophobicContact CE1-CG 4.28Å; E723-P792 HydrophobicContact CB-CG 3.72Å; E723-P792 HydrophobicContact CG-CG 3.7Å; R727-P792 VanDerWaalsContact NH2-CB 3.33Å; P792-T795 HydrophobicContact CG-CG2 4.49Å; P792-T795 WeakPolarHBondContact O-CG2 3.31Å
793V94.6Very high93.9Very high66 Ų6657.7 Ų57.740%0.431%0.31SS..SBendtrans-81.3-29.3174-63.90000111.9K782 Q783 D791K782-V793 HydrophobicContact CB-CG2 3.83Å; Q783-V793 HydrophobicContact CB-CG2 3.85Å; D791-V793 PolarHBondContact O-N 3.36Å
794L95Very high93.8Very high4 Ų462.6 Ų62.62%0.02133%0.334CS..SBendtrans-99.891.3172.8-178.161.2000109R727 V731 W775 F776 M779 E780 Q783 L799R727-L794 WeakPolarHBondContact CD-O 3.42Å; R727-L794 PolarHBondContact NE-O 3.48Å; R727-L794 VanDerWaalsContact NE-O 3.17Å; V731-L794 HydrophobicContact CG2-CD2 4.17Å; W775-L794 HydrophobicContact CH2-CD1 3.59Å; W775-L794 HydrophobicContact CZ2-CD1 4.03Å; W775-L794 HydrophobicContact CZ3-CD1 4.27Å; F776-L794 HydrophobicContact CE2-CD2 4.14Å; M779-L794 HydrophobicContact CB-CB 4.31Å; M779-L794 HydrophobicContact CB-CD1 3.81Å; E780-L794 HydrophobicContact CB-CD2 4.45Å; Q783-L794 HydrophobicContact CB-CB 3.82Å; Q783-L794 HydrophobicContact CG-CB 4.03Å; Q783-L794 VanDerWaalsContact OE1-N 3.07Å; L794-L799 HydrophobicContact CD1-CD1 4.29Å; L794-L799 HydrophobicContact CD1-CD2 3.69Å; L794-L799 HydrophobicContact CD1-CG 3.77Å; L794-L799 HydrophobicContact CD2-CD1 4.5Å; L794-L799 HydrophobicContact CD2-CD2 4.38Å; L794-L799 HydrophobicContact CG-CD1 4.1Å; L794-L799 HydrophobicContact CG-CD2 4.23Å; L794-L799 HydrophobicContact CG-CG 4.14Å
795T96.2Very high93.9Very high29 Ų2957.8 Ų57.818%0.17831%0.313CS..  trans-88.6151.9-17764.50000112.2Y719 E723 P792 A797 A798 L799Y719-T795 WeakPolarHBondContact OH-CG2 3.48Å; E723-T795 VanDerWaalsContact OE2-CA 3.3Å; E723-T795 WeakPolarHBondContact OE2-CA 3.4Å; P792-T795 HydrophobicContact CG-CG2 4.49Å; P792-T795 WeakPolarHBondContact O-CG2 3.31Å; T795-A797 PolarHBondContact O-N 2.91Å; T795-A798 PolarHBondContact O-N 2.96Å; T795-A798 WeakPolarHBondContact OG1-CB 3.13Å; T795-A798 PolarHBondContact OG1-N 3.2Å; T795-L799 WeakPolarHBondContact O-CG 3.4Å; T795-L799 PolarHBondContact O-N 3.34Å
796V95Very high93.9Very high13 Ų1351 Ų518%0.07928%0.281CS..Hα-helixtrans-54.7-41.4172.7173.40000111.1E723 E726 R727 A730 A798 L799 M800E723-V796 WeakPolarHBondContact OE2-CG2 3.38Å; E723-V796 PolarHBondContact OE2-N 3.25Å; E726-V796 HydrophobicContact CB-CG2 3.85Å; R727-V796 HydrophobicContact CB-CG2 4.06Å; A730-V796 HydrophobicContact CB-CG1 4.22Å; A730-V796 HydrophobicContact CB-CG2 4.41Å; V796-A798 PolarHBondContact O-N 2.91Å; V796-L799 PolarHBondContact O-N 2.83Å; V796-M800 HydrophobicContact CG1-CE 4.01Å; V796-M800 HydrophobicContact CG1-CG 4.43Å; V796-M800 WeakPolarHBondContact O-CG 3.24Å; V796-M800 PolarHBondContact O-N 3.12Å
797A95.1Very high93.9Very high68 Ų6851.4 Ų51.456%0.56228%0.282SS*.Hα-helixtrans-60.2-45178.600000112.4T795 M800 E801T795-A797 PolarHBondContact O-N 2.91Å; A797-M800 PolarHBondContact O-N 2.92Å; A797-E801 WeakPolarHBondContact O-CB 3.27Å; A797-E801 PolarHBondContact O-N 2.76Å
798A95.2Very high93.9Very high23 Ų2358.8 Ų58.819%0.1931%0.306CS..Hα-helixtrans-68.2-39.5178.900000112.2W775 T795 V796 E801 K802W775-A798 HydrophobicContact CH2-CB 4.21Å; W775-A798 HydrophobicContact CZ2-CB 3.9Å; T795-A798 PolarHBondContact O-N 2.96Å; T795-A798 WeakPolarHBondContact OG1-CB 3.13Å; T795-A798 PolarHBondContact OG1-N 3.2Å; V796-A798 PolarHBondContact O-N 2.91Å; A798-E801 PolarHBondContact O-N 2.68Å; A798-K802 WeakPolarHBondContact O-CG 3.45Å; A798-K802 PolarHBondContact O-N 3.41Å
799L95.7Very high94Very high3 Ų356.8 Ų56.82%0.01629%0.29CS..Hα-helixtrans-59-46.5173.8-74.9166.1000111.5R727 A730 V731 L734 W775 F776 L794 T795 V796 K802 G803R727-L799 HydrophobicContact CG-CD1 3.84Å; A730-L799 HydrophobicContact CB-CB 4.13Å; A730-L799 HydrophobicContact CB-CD1 3.72Å; V731-L799 HydrophobicContact CG2-CD1 3.7Å; V731-L799 HydrophobicContact CG2-CD2 4.25Å; L734-L799 HydrophobicContact CB-CD2 4.37Å; L734-L799 HydrophobicContact CD2-CD2 3.5Å; L734-L799 VanDerWaalsContact CD2-CD2 3.5Å; W775-L799 HydrophobicContact CH2-CD2 4.2Å; W775-L799 HydrophobicContact CZ3-CD2 4.24Å; F776-L799 HydrophobicContact CD2-CD2 4Å; F776-L799 HydrophobicContact CE2-CD2 3.99Å; L794-L799 HydrophobicContact CD1-CD1 4.29Å; L794-L799 HydrophobicContact CD1-CD2 3.69Å; L794-L799 HydrophobicContact CD1-CG 3.77Å; L794-L799 HydrophobicContact CD2-CD1 4.5Å; L794-L799 HydrophobicContact CD2-CD2 4.38Å; L794-L799 HydrophobicContact CG-CD1 4.1Å; L794-L799 HydrophobicContact CG-CD2 4.23Å; L794-L799 HydrophobicContact CG-CG 4.14Å; T795-L799 WeakPolarHBondContact O-CG 3.4Å; T795-L799 PolarHBondContact O-N 3.34Å; V796-L799 PolarHBondContact O-N 2.83Å; L799-K802 PolarHBondContact O-N 3.48Å; L799-G803 PolarHBondContact O-N 2.94Å
800M93.7Very high94Very high92 Ų9252.1 Ų52.145%0.45327%0.272SS..Hα-helixtrans-65.8-42177.9-71.4-152.1-174.500112.3M733 V796 A797 K802 G803 M804M733-M800 HydrophobicContact CE-CG 4.46Å; V796-M800 HydrophobicContact CG1-CE 4.01Å; V796-M800 HydrophobicContact CG1-CG 4.43Å; V796-M800 WeakPolarHBondContact O-CG 3.24Å; V796-M800 PolarHBondContact O-N 3.12Å; A797-M800 PolarHBondContact O-N 2.92Å; M800-K802 VanDerWaalsContact C-N 3.35Å; M800-K802 PolarHBondContact O-N 3.35Å; M800-G803 PolarHBondContact O-N 2.86Å; M800-M804 WeakPolarHBondContact O-CB 3.28Å; M800-M804 WeakPolarHBondContact O-CG 3.33Å; M800-M804 PolarHBondContact O-N 3.46Å
801E94.5Very high93.9Very high135 Ų13552.4 Ų52.463%0.63127%0.269SS*.Hα-helixtrans-57.9-47.4176.5-172.9-174.7165.900111.6A797 A798 M804 A805A797-E801 WeakPolarHBondContact O-CB 3.27Å; A797-E801 PolarHBondContact O-N 2.76Å; A798-E801 PolarHBondContact O-N 2.68Å; E801-M804 PolarHBondContact O-N 3.48Å; E801-A805 PolarHBondContact O-N 3.04Å; E801-A805 VanDerWaalsContact O-N 3.1Å
802K94.6Very high93.9Very high66 Ų6653.8 Ų53.829%0.28727%0.268SS..Hα-helixtrans-64.7-43.5177.3-69.9-72.6-173.8176.90112.2L734 T772 W775 A798 L799 M800 M804 A805 L806L734-K802 HydrophobicContact CD1-CB 4.46Å; T772-K802 HydrophobicContact CG2-CB 4.24Å; W775-K802 HydrophobicContact CD2-CD 4.24Å; W775-K802 HydrophobicContact CD2-CG 4.09Å; W775-K802 HydrophobicContact CE3-CB 4.37Å; W775-K802 HydrophobicContact CE3-CD 4.19Å; W775-K802 HydrophobicContact CE3-CG 3.75Å; W775-K802 HydrophobicContact CH2-CB 4.46Å; W775-K802 HydrophobicContact CH2-CG 3.84Å; W775-K802 HydrophobicContact CZ2-CG 4.15Å; W775-K802 HydrophobicContact CZ3-CB 4.02Å; W775-K802 HydrophobicContact CZ3-CG 3.63Å; A798-K802 WeakPolarHBondContact O-CG 3.45Å; A798-K802 PolarHBondContact O-N 3.41Å; L799-K802 PolarHBondContact O-N 3.48Å; M800-K802 VanDerWaalsContact C-N 3.35Å; M800-K802 PolarHBondContact O-N 3.35Å; K802-M804 PolarHBondContact O-N 2.91Å; K802-A805 PolarHBondContact O-N 3.14Å; K802-L806 PolarHBondContact O-N 3.34Å
803G93.5Very high93.8Very high5 Ų553.2 Ų53.25%0.05227%0.265CS..Hα-helixtrans-60.3-44.2176.100000112.7L799 M800 A805 L806 D807L799-G803 PolarHBondContact O-N 2.94Å; M800-G803 PolarHBondContact O-N 2.86Å; G803-A805 PolarHBondContact O-N 3.14Å; G803-L806 PolarHBondContact O-N 3.39Å; G803-D807 WeakPolarHBondContact O-CB 3.39Å; G803-D807 PolarHBondContact O-N 3.17Å
804M93.8Very high93.5Very high125 Ų12551.4 Ų51.462%0.61625%0.252SS*.Hα-helixtrans-64.2-39.1177.1-75.3-172.9-68.400112.7M800 E801 K802 L806 R808M800-M804 WeakPolarHBondContact O-CB 3.28Å; M800-M804 WeakPolarHBondContact O-CG 3.33Å; M800-M804 PolarHBondContact O-N 3.46Å; E801-M804 PolarHBondContact O-N 3.48Å; K802-M804 PolarHBondContact O-N 2.91Å; M804-L806 VanDerWaalsContact C-N 3.32Å; M804-L806 PolarHBondContact O-N 2.92Å; M804-R808 VanDerWaalsContact O-CB 3.29Å; M804-R808 WeakPolarHBondContact O-CB 3.49Å; M804-R808 PolarHBondContact O-N 2.99Å
805A93.7Very high93.2Very high30 Ų3055.5 Ų55.525%0.24827%0.274CS..Hα-helixtrans-61.4-43.2177.100000111.5E801 K802 G803 E809E801-A805 PolarHBondContact O-N 3.04Å; E801-A805 VanDerWaalsContact O-N 3.1Å; K802-A805 PolarHBondContact O-N 3.14Å; G803-A805 PolarHBondContact O-N 3.14Å; A805-E809 PolarHBondContact O-N 3.02Å
806L92.6Very high92.9Very high0 Ų057.1 Ų57.10%028%0.279CS..Hα-helixtrans-69.1-48.2178.5-171.764.6000112.1L737 M738 S741 L765 L768 L769 K802 G803 M804 R808 E809 V810L737-L806 HydrophobicContact CB-CD2 4.37Å; M738-L806 HydrophobicContact CG-CD2 3.92Å; S741-L806 WeakPolarHBondContact OG-CD2 3.44Å; S741-L806 VanDerWaalsContact OG-CG 3.26Å; S741-L806 WeakPolarHBondContact OG-CG 3.38Å; L765-L806 HydrophobicContact CD1-CD1 3.84Å; L768-L806 HydrophobicContact CD2-CD1 4.32Å; L768-L806 HydrophobicContact CG-CD1 4.29Å; L769-L806 HydrophobicContact CB-CD1 4.33Å; L769-L806 HydrophobicContact CD1-CD1 4.3Å; L769-L806 HydrophobicContact CD1-CD2 4.1Å; K802-L806 PolarHBondContact O-N 3.34Å; G803-L806 PolarHBondContact O-N 3.39Å; M804-L806 VanDerWaalsContact C-N 3.32Å; M804-L806 PolarHBondContact O-N 2.92Å; L806-R808 VanDerWaalsContact C-N 3.29Å; L806-R808 PolarHBondContact O-N 2.96Å; L806-E809 PolarHBondContact O-N 2.88Å; L806-E809 VanDerWaalsContact O-N 3.16Å; L806-V810 PolarHBondContact O-N 3.31Å; L806-V810 VanDerWaalsContact O-N 3.11Å
807D92.6Very high92.4Very high31 Ų3157.9 Ų57.917%0.16628%0.283CS..Hα-helixtrans-58-40.6177.5-179.545.2000111.7L737 G803 E809 V810 R811L737-D807 HydrophobicContact CD2-CB 4.26Å; G803-D807 WeakPolarHBondContact O-CB 3.39Å; G803-D807 PolarHBondContact O-N 3.17Å; D807-E809 VanDerWaalsContact C-N 3.34Å; D807-E809 PolarHBondContact O-N 2.88Å; D807-V810 PolarHBondContact O-N 2.8Å; D807-R811 WeakPolarHBondContact O-CB 3.36Å; D807-R811 VanDerWaalsContact O-CG 3.26Å; D807-R811 WeakPolarHBondContact O-CG 3.43Å; D807-R811 PolarHBondContact O-N 3.23Å; D807-R811 IonicContact OD1-CZ 3.84Å; D807-R811 IonicContact OD1-NE 3.07Å; D807-R811 PolarHBondContact OD1-NE 3.37Å; D807-R811 IonicContact OD1-NH2 3.94Å; D807-R811 IonicContact OD2-CZ 3.28Å; D807-R811 IonicContact OD2-NE 2.74Å; D807-R811 PolarHBondContact OD2-NE 2.79Å; D807-R811 IonicContact OD2-NH2 2.87Å; D807-R811 PolarHBondContact OD2-NH2 3.1Å
808R93Very high92Very high174 Ų17459.3 Ų59.366%0.65728%0.276SS*.Hα-helixtrans-57.6-45.3176.6-175.6-176.569.9-169.8-1112.2M804 L806 Y812M804-R808 VanDerWaalsContact O-CB 3.29Å; M804-R808 WeakPolarHBondContact O-CB 3.49Å; M804-R808 PolarHBondContact O-N 2.99Å; L806-R808 VanDerWaalsContact C-N 3.29Å; L806-R808 PolarHBondContact O-N 2.96Å; R808-Y812 PolarHBondContact O-N 3.09Å; R808-Y812 VanDerWaalsContact O-N 3.1Å
809E92.3Very high91.5Very high32 Ų3262.5 Ų62.515%0.1529%0.289CS..Hα-helixtrans-68.9-44.1-178.1-162.661.4-148.900111.1L765 L768 A805 L806 D807 R811 Y812 L813L765-E809 HydrophobicContact CB-CG 4.19Å; L765-E809 HydrophobicContact CD1-CB 4.16Å; L765-E809 HydrophobicContact CD1-CG 4.1Å; L768-E809 HydrophobicContact CD2-CB 4.09Å; A805-E809 PolarHBondContact O-N 3.02Å; L806-E809 PolarHBondContact O-N 2.88Å; L806-E809 VanDerWaalsContact O-N 3.16Å; D807-E809 VanDerWaalsContact C-N 3.34Å; D807-E809 PolarHBondContact O-N 2.88Å; E809-R811 PolarHBondContact O-N 2.73Å; E809-Y812 WeakPolarHBondContact O-CB 3.36Å; E809-Y812 PolarHBondContact O-N 2.97Å; E809-L813 PolarHBondContact O-N 3.47Å
810V91.9Very high90.8Very high0 Ų065.1 Ų65.10%030%0.301CS..Hα-helixtrans-64-42.2177.4178.80000111.6Y740 S741 F744 L765 L806 D807 Y812 L813 L814Y740-V810 HydrophobicContact CD1-CG1 4.04Å; Y740-V810 HydrophobicContact CE1-CG1 3.5Å; Y740-V810 VanDerWaalsContact CE1-CG1 3.5Å; S741-V810 WeakPolarHBondContact OG-CG2 3.23Å; F744-V810 HydrophobicContact CB-CG1 4.45Å; F744-V810 HydrophobicContact CD1-CG1 4.16Å; F744-V810 HydrophobicContact CD2-CG1 4.47Å; F744-V810 HydrophobicContact CG-CG1 4.08Å; L765-V810 HydrophobicContact CD1-CG2 3.75Å; L765-V810 HydrophobicContact CD2-CG2 4.15Å; L806-V810 PolarHBondContact O-N 3.31Å; L806-V810 VanDerWaalsContact O-N 3.11Å; D807-V810 PolarHBondContact O-N 2.8Å; V810-Y812 VanDerWaalsContact C-N 3.33Å; V810-Y812 PolarHBondContact O-N 3.46Å; V810-L813 PolarHBondContact O-N 3.16Å; V810-L814 HydrophobicContact CG1-CD1 3.82Å; V810-L814 HydrophobicContact CG1-CG 4.21Å; V810-L814 WeakPolarHBondContact O-CB 3.21Å; V810-L814 WeakPolarHBondContact O-CG 3.28Å; V810-L814 PolarHBondContact O-N 3.17Å
811R91.4Very high90.1Very high105 Ų10566.1 Ų66.140%0.39631%0.305SS..Hα-helixtrans-62-39.3176-75.9-178-171.1-145.316112.8D807 E809 L813 L814 N815D807-R811 WeakPolarHBondContact O-CB 3.36Å; D807-R811 VanDerWaalsContact O-CG 3.26Å; D807-R811 WeakPolarHBondContact O-CG 3.43Å; D807-R811 PolarHBondContact O-N 3.23Å; D807-R811 IonicContact OD1-CZ 3.84Å; D807-R811 IonicContact OD1-NE 3.07Å; D807-R811 PolarHBondContact OD1-NE 3.37Å; D807-R811 IonicContact OD1-NH2 3.94Å; D807-R811 IonicContact OD2-CZ 3.28Å; D807-R811 IonicContact OD2-NE 2.74Å; D807-R811 PolarHBondContact OD2-NE 2.79Å; D807-R811 IonicContact OD2-NH2 2.87Å; D807-R811 PolarHBondContact OD2-NH2 3.1Å; E809-R811 PolarHBondContact O-N 2.73Å; R811-L813 VanDerWaalsContact C-N 3.33Å; R811-L813 PolarHBondContact O-N 3.39Å; R811-L814 PolarHBondContact O-N 3.19Å; R811-N815 WeakPolarHBondContact O-CB 3.47Å; R811-N815 PolarHBondContact O-N 3.39Å; R811-N815 PolarHBondContact O-ND2 3.46Å
812Y92.8Very high89.2Confident117 Ų11766.2 Ų66.246%0.45931%0.305SS..Hα-helixtrans-57.8-47.6174.8166.8-102.7000110.9E761 R808 E809 V810 N815 K816E761-Y812 HydrophobicContact CG-CE1 4.21Å; E761-Y812 WeakPolarHBondContact OE1-CE1 3.38Å; E761-Y812 PolarHBondContact OE1-OH 3.43Å; R808-Y812 PolarHBondContact O-N 3.09Å; R808-Y812 VanDerWaalsContact O-N 3.1Å; E809-Y812 WeakPolarHBondContact O-CB 3.36Å; E809-Y812 PolarHBondContact O-N 2.97Å; V810-Y812 VanDerWaalsContact C-N 3.33Å; V810-Y812 PolarHBondContact O-N 3.46Å; Y812-N815 PolarHBondContact O-N 3.25Å; Y812-K816 PolarHBondContact O-N 2.95Å; Y812-K816 VanDerWaalsContact O-N 3.15Å
813L91.7Very high88.3Confident0 Ų068.9 Ų68.90%032%0.318CS..Hα-helixtrans-69.7-40.8179.1-60.4177000112.7F744 F757 E761 L762 L765 E809 V810 R811 N815 K816 L817F744-L813 HydrophobicContact CE1-CB 3.51Å; F744-L813 HydrophobicContact CE1-CD1 3.78Å; F744-L813 HydrophobicContact CE1-CG 4.29Å; F744-L813 HydrophobicContact CZ-CB 3.54Å; F757-L813 HydrophobicContact CD1-CB 4.41Å; F757-L813 HydrophobicContact CD1-CD2 4.02Å; F757-L813 HydrophobicContact CE1-CB 3.99Å; F757-L813 HydrophobicContact CE1-CD2 4.43Å; F757-L813 WeakPolarHBondContact CE1-O 3.37Å; E761-L813 HydrophobicContact CB-CD2 3.83Å; E761-L813 HydrophobicContact CG-CD2 4.13Å; L762-L813 HydrophobicContact CD2-CD1 4.36Å; L765-L813 HydrophobicContact CB-CD1 4.19Å; L765-L813 HydrophobicContact CD2-CD1 3.87Å; E809-L813 PolarHBondContact O-N 3.47Å; V810-L813 PolarHBondContact O-N 3.16Å; R811-L813 VanDerWaalsContact C-N 3.33Å; R811-L813 PolarHBondContact O-N 3.39Å; L813-N815 VanDerWaalsContact C-N 3.29Å; L813-N815 PolarHBondContact O-N 3.09Å; L813-K816 WeakPolarHBondContact O-CB 3.42Å; L813-K816 PolarHBondContact O-N 3.34Å; L813-K816 VanDerWaalsContact O-N 3.11Å; L813-L817 PolarHBondContact O-N 3.26Å
814L89.4Confident87.1Confident27 Ų2774.6 Ų74.614%0.14134%0.342CS..Hα-helixtrans-58.2-41.3173.8-77.6166.9000112.3Y740 F744 V810 R811 K816 L817 K818Y740-L814 HydrophobicContact CE1-CD1 4.26Å; Y740-L814 WeakPolarHBondContact OH-CD1 3.45Å; F744-L814 HydrophobicContact CD2-CD2 3.85Å; F744-L814 HydrophobicContact CD2-CG 4.22Å; F744-L814 HydrophobicContact CE2-CD2 3.46Å; F744-L814 VanDerWaalsContact CE2-CD2 3.46Å; F744-L814 HydrophobicContact CE2-CG 3.76Å; F744-L814 HydrophobicContact CZ-CD2 4.4Å; F744-L814 HydrophobicContact CZ-CG 4.3Å; V810-L814 HydrophobicContact CG1-CD1 3.82Å; V810-L814 HydrophobicContact CG1-CG 4.21Å; V810-L814 WeakPolarHBondContact O-CB 3.21Å; V810-L814 WeakPolarHBondContact O-CG 3.28Å; V810-L814 PolarHBondContact O-N 3.17Å; R811-L814 PolarHBondContact O-N 3.19Å; L814-K816 VanDerWaalsContact C-N 3.33Å; L814-L817 WeakPolarHBondContact O-CB 3.47Å; L814-L817 PolarHBondContact O-N 2.88Å; L814-K818 WeakPolarHBondContact O-CG 3.48Å; L814-K818 PolarHBondContact O-N 2.96Å
815N88.5Confident85.8Confident90 Ų9072.8 Ų72.848%0.48135%0.347SS..Hα-helixtrans-64.9-39.1176.4-77.2-22.6000111.5R811 Y812 L813 L817 K818 I819R811-N815 WeakPolarHBondContact O-CB 3.47Å; R811-N815 PolarHBondContact O-N 3.39Å; R811-N815 PolarHBondContact O-ND2 3.46Å; Y812-N815 PolarHBondContact O-N 3.25Å; L813-N815 VanDerWaalsContact C-N 3.29Å; L813-N815 PolarHBondContact O-N 3.09Å; N815-L817 VanDerWaalsContact C-N 3.34Å; N815-L817 PolarHBondContact O-N 3.47Å; N815-K818 PolarHBondContact O-N 3.07Å; N815-I819 VanDerWaalsContact O-CG1 3.26Å; N815-I819 WeakPolarHBondContact O-CG1 3.47Å; N815-I819 PolarHBondContact O-N 2.95Å
816K88.9Confident84.1Confident63 Ų6375.3 Ų75.327%0.27437%0.368SS..Hα-helixtrans-61.8-42.2174.6-161.8174.7-175.3178.80111.9I756 F757 E761 Y812 L813 L814 I819 H820I756-K816 WeakPolarHBondContact O-CE 3.47Å; F757-K816 HydrophobicContact CD1-CD 4.4Å; F757-K816 HydrophobicContact CE1-CB 4.45Å; E761-K816 IonicContact OE1-NZ 2.71Å; E761-K816 PolarHBondContact OE1-NZ 3.5Å; E761-K816 IonicContact OE2-NZ 3.82Å; E761-K816 PolarHBondContact OE2-NZ 3.48Å; Y812-K816 PolarHBondContact O-N 2.95Å; Y812-K816 VanDerWaalsContact O-N 3.15Å; L813-K816 WeakPolarHBondContact O-CB 3.42Å; L813-K816 PolarHBondContact O-N 3.34Å; L813-K816 VanDerWaalsContact O-N 3.11Å; L814-K816 VanDerWaalsContact C-N 3.33Å; K816-I819 PolarHBondContact O-N 3.04Å; K816-H820 PolarHBondContact O-N 3.33Å
817L86.3Confident81.9Confident30 Ų3085 Ų8516%0.15740%0.404CS..Hα-helixtrans-62-46.3174.4-17462.9000112.1L751 I756 F757 L813 L814 N815 I819 H820 Q821L751-L817 HydrophobicContact CD1-CD1 4.16Å; I756-L817 HydrophobicContact CD1-CD1 3.89Å; I756-L817 HydrophobicContact CG2-CD1 3.98Å; F757-L817 HydrophobicContact CE1-CB 4.37Å; F757-L817 HydrophobicContact CE2-CD1 4.43Å; F757-L817 HydrophobicContact CZ-CB 3.91Å; F757-L817 HydrophobicContact CZ-CD1 4.11Å; F757-L817 HydrophobicContact CZ-CG 4.41Å; L813-L817 PolarHBondContact O-N 3.26Å; L814-L817 WeakPolarHBondContact O-CB 3.47Å; L814-L817 PolarHBondContact O-N 2.88Å; N815-L817 VanDerWaalsContact C-N 3.34Å; N815-L817 PolarHBondContact O-N 3.47Å; L817-I819 PolarHBondContact O-N 2.97Å; L817-H820 PolarHBondContact O-N 3.36Å; L817-Q821 WeakPolarHBondContact O-CG 3.47Å; L817-Q821 PolarHBondContact O-N 3.17Å
818K86Confident79.6Confident98 Ų9889.2 Ų89.243%0.42643%0.433SS..Hα-helixtrans-59.4-44.6177.2-75.3176.8-179.8179.20111.8L814 N815 H820 Q821 Q822L814-K818 WeakPolarHBondContact O-CG 3.48Å; L814-K818 PolarHBondContact O-N 2.96Å; N815-K818 PolarHBondContact O-N 3.07Å; K818-H820 VanDerWaalsContact C-N 3.32Å; K818-H820 PolarHBondContact O-N 3.03Å; K818-Q821 PolarHBondContact O-N 2.84Å; K818-Q822 WeakPolarHBondContact O-CG 3.24Å; K818-Q822 PolarHBondContact O-N 3.49Å
819I84.5Confident77.5Confident90 Ų9087.2 Ų87.246%0.46244%0.443SS..Hα-helixtrans-61-42.9176.8-68.4164.2000110.3N815 K816 L817 Q822 Q823N815-I819 VanDerWaalsContact O-CG1 3.26Å; N815-I819 WeakPolarHBondContact O-CG1 3.47Å; N815-I819 PolarHBondContact O-N 2.95Å; K816-I819 PolarHBondContact O-N 3.04Å; L817-I819 PolarHBondContact O-N 2.97Å; I819-Q822 PolarHBondContact O-N 2.9Å; I819-Q823 VanDerWaalsContact O-CG 3.3Å; I819-Q823 WeakPolarHBondContact O-CG 3.36Å; I819-Q823 PolarHBondContact O-N 3.27Å
820H81.9Confident75.3Confident57 Ų5795 Ų9526%0.26448%0.479SS..Hα-helixtrans-64-42.5177.2-170.683.3000112.6I756 K816 L817 K818 Q822 Q823 K824I756-H820 HydrophobicContact CG1-CB 4.48Å; I756-H820 HydrophobicContact CG2-CB 4.14Å; K816-H820 PolarHBondContact O-N 3.33Å; L817-H820 PolarHBondContact O-N 3.36Å; K818-H820 VanDerWaalsContact C-N 3.32Å; K818-H820 PolarHBondContact O-N 3.03Å; H820-Q822 PolarHBondContact O-N 3.05Å; H820-Q823 PolarHBondContact O-N 2.76Å; H820-K824 WeakPolarHBondContact O-CB 3.48Å; H820-K824 PolarHBondContact O-N 3.21Å
821Q78.6Confident72.8Confident114 Ų114100 Ų10053%0.53352%0.52SS..Hα-helixtrans-63-40.8176.6-72.5176.5-7.800112.1L817 K818 Q823 K824 A825L817-Q821 WeakPolarHBondContact O-CG 3.47Å; L817-Q821 PolarHBondContact O-N 3.17Å; K818-Q821 PolarHBondContact O-N 2.84Å; Q821-Q823 VanDerWaalsContact C-N 3.35Å; Q821-K824 PolarHBondContact O-N 3.1Å; Q821-A825 WeakPolarHBondContact O-CB 3.21Å; Q821-A825 PolarHBondContact O-N 3.03Å
822Q76.2Confident70.4Confident137 Ų137105.9 Ų105.964%0.6454%0.542SS*.Hα-helixtrans-63.5-40174.5-71.8173.8-4.800111.8K818 I819 H820 A825 A826K818-Q822 WeakPolarHBondContact O-CG 3.24Å; K818-Q822 PolarHBondContact O-N 3.49Å; I819-Q822 PolarHBondContact O-N 2.9Å; H820-Q822 PolarHBondContact O-N 3.05Å; Q822-A825 PolarHBondContact O-N 3.01Å; Q822-A826 WeakPolarHBondContact O-CB 3.46Å; Q822-A826 PolarHBondContact O-N 3.13Å; Q822-A826 VanDerWaalsContact O-N 3.12Å
823Q74.6Confident67.9Low121 Ų121106.4 Ų106.457%0.56556%0.56SS**Hα-helixtrans-67.3-35.8175.2-71.5174.22.200112.8I819 H820 Q821 A826I819-Q823 VanDerWaalsContact O-CG 3.3Å; I819-Q823 WeakPolarHBondContact O-CG 3.36Å; I819-Q823 PolarHBondContact O-N 3.27Å; H820-Q823 PolarHBondContact O-N 2.76Å; Q821-Q823 VanDerWaalsContact C-N 3.35Å; Q823-A826 PolarHBondContact O-N 3.36Å
824K67.5Low65.3Low126 Ų126112.7 Ų112.755%0.54859%0.594SS.*Hα-helixtrans-70.3-39.5176.1-163.4173.6-175.61740111.5E754 H820 Q821 A826 R827E754-K824 IonicContact OE2-NZ 2.75Å; H820-K824 WeakPolarHBondContact O-CB 3.48Å; H820-K824 PolarHBondContact O-N 3.21Å; Q821-K824 PolarHBondContact O-N 3.1Å; K824-A826 VanDerWaalsContact C-N 3.29Å; K824-A826 PolarHBondContact O-N 3.2Å; K824-R827 PolarHBondContact O-N 3.43Å
825A66.7Low62.9Low87 Ų87119.5 Ų119.572%0.71963%0.63SS**Hα-helixtrans-69.2-23.7175.800000113.5Q821 Q822 R827Q821-A825 WeakPolarHBondContact O-CB 3.21Å; Q821-A825 PolarHBondContact O-N 3.03Å; Q822-A825 PolarHBondContact O-N 3.01Å; A825-R827 VanDerWaalsContact C-N 3.32Å; A825-R827 PolarHBondContact O-N 3.25Å
826A57.9Low60.4Low83 Ų83125.1 Ų125.169%0.68665%0.646SS**THydrogen-bonded Turntrans-81-2.6177.500000114.6Q822 Q823 K824Q822-A826 WeakPolarHBondContact O-CB 3.46Å; Q822-A826 PolarHBondContact O-N 3.13Å; Q822-A826 VanDerWaalsContact O-N 3.12Å; Q823-A826 PolarHBondContact O-N 3.36Å; K824-A826 VanDerWaalsContact C-N 3.29Å; K824-A826 PolarHBondContact O-N 3.2Å
827R47.8Very low58Low204 Ų204129.1 Ų129.177%0.7768%0.676SS**SBendtrans-85.3134.1174.7-74.3-176175.8-172.3-0.8111.2K824 A825K824-R827 PolarHBondContact O-N 3.43Å; A825-R827 VanDerWaalsContact C-N 3.32Å; A825-R827 PolarHBondContact O-N 3.25Å
828P43.9Very low55.5Low119 Ų119133.1 Ų133.177%0.77371%0.707SS**PPolyproline II helixtrans-67.8142.3-179.9-11.125.4000111.7
829P49Very low53.3Low132 Ų132132.9 Ų132.986%0.85772%0.723SS**PPolyproline II helixtrans-80.7124.9-177.430.4-30.9000112.1
830E44.9Very low50.9Low196 Ų196133.7 Ų133.792%0.91674%0.737SS**PPolyproline II helixtrans-78.4146.2165.4-75.5-176.3165.100111.4
831A40Very low48.7Very low104 Ų104138.8 Ų138.886%0.8677%0.766SS**PPolyproline II helixtrans-69.3143.5-159.600000116.3
832R41.4Very low46.5Very low228 Ų228140.9 Ų140.986%0.8678%0.781SS**PPolyproline II helixtrans-86.7168172.2-63.9178179.1-179.2-1.4111.9
833P40.2Very low44.4Very low129 Ų129141 Ų14184%0.83879%0.791SS**  -135156.3128.827.5-9.5000114.9
834D36Very low42.4Very low132 Ų132139.8 Ų139.871%0.70680%0.796SS**  trans-72.7150.7-162.5-53.7-58.6000116.3
835N40.8Very low40.6Very low169 Ų169140.4 Ų140.490%0.90481%0.81SS**  -161.7122.3129.2-113.9-15.1000112.3
836Y34.5Very low38.8Very low208 Ų208141.4 Ų141.482%0.81681%0.808SS**  trans-82.9142.8173.2-94.6-99.7000110.7
837T39.7Very low37.4Very low148 Ų148144.1 Ų144.191%0.90881%0.811SS**  -166.1140.3129.711.80000110.8
838S33.8Very low36.6Very low113 Ų113140.8 Ų140.879%0.7981%0.814SS**  trans-89.6142.5-157.648.30000114.9
839A38.8Very low36.1Very low94 Ų94140.6 Ų140.678%0.77781%0.81SS**  trans-160.9104.5145.200000111.5
840S34.7Very low35.3Very low107 Ų107141.5 Ų141.575%0.74881%0.808SS**  trans21.2110.4143.656.40000120.5
841N35.8Very low34.7Very low164 Ų164138.6 Ų138.688%0.87780%0.798SS**  -175118.1108.1-105-5.5000110.6
842D32Very low34.6Very low157 Ų157138.3 Ų138.384%0.8478%0.782SS**  trans-73.7130.7173.4-81.8-44.3000111.3
843T33.2Very low34.2Very low139 Ų139137.3 Ų137.385%0.85378%0.778SS**  -154.6113128.6-6.80000108.6T845T843-T845 PolarHBondContact O-N 2.93Å
844S32Very low34Very low96 Ų96137.8 Ų137.867%0.67177%0.772SS**  trans-67.6118.9-17347.80000112.6T846S844-T846 PolarHBondContact O-N 2.66Å
845T29.5Very low34Very low139 Ų139134.9 Ų134.985%0.85376%0.756SS**  trans-82.689162.745.60000109.5T843T843-T845 PolarHBondContact O-N 2.93Å
846T28.1Very low33.7Very low108 Ų108133.2 Ų133.266%0.66375%0.747SS**  trans-149.369.6172.545.30000109.7S844S844-T846 PolarHBondContact O-N 2.66Å
847D29.6Very low33.7Very low141 Ų141130.3 Ų130.375%0.75474%0.741SS**  trans-148.810.8176.8-86.1-37.3000115
848T31.7Very low33.4Very low134 Ų134129.3 Ų129.382%0.82274%0.735SS**SBendtrans-95.33.4-169.322.20000116.2
849V32.6Very low33.3Very low114 Ų114129 Ų12969%0.69173%0.733SS**SBendtrans-110.3-15-172.9-172.40000114
850D32.3Very low33Very low152 Ų152133.8 Ų133.881%0.81374%0.739SS**SBendtrans-92.6-7.2-175.2-87.8-28000115.8L852D850-L852 PolarHBondContact O-N 2.8Å; D850-L852 VanDerWaalsContact O-N 3.16Å
851N32.7Very low32.7Very low134 Ų134133.1 Ų133.172%0.71774%0.74SS**  trans-8011.2-179-74-23.2000115.1
852L37.3Very low32.3Very low99 Ų99128.5 Ų128.552%0.51873%0.732SS.*THydrogen-bonded Turntrans-95.418.3-169.6-83.4158.4000115.5D850D850-L852 PolarHBondContact O-N 2.8Å; D850-L852 VanDerWaalsContact O-N 3.16Å
853R33.6Very low32.2Very low206 Ų206130.1 Ų130.178%0.77773%0.734SS**THydrogen-bonded Turntrans-100.80.3-176-97.6-177.8172.8166.9-2.7116.8L855R853-L855 PolarHBondContact O-N 2.82Å
854I35.4Very low32Very low140 Ų140131.7 Ų131.772%0.71873%0.732SS**THydrogen-bonded Turntrans-79.6-8.2-161.8-61176.6000115.2
855L36.8Very low31.9Very low70 Ų70137.1 Ų137.137%0.36675%0.746SS.*THydrogen-bonded Turntrans-107.36.9-170.2-76.4162.9000116.8M733 L737 R853M733-L855 HydrophobicContact SD-CD2 3.81Å; L737-L855 HydrophobicContact CD2-CD1 4.47Å; R853-L855 PolarHBondContact O-N 2.82Å
856N33.4Very low32Very low135 Ų135138.5 Ų138.572%0.72274%0.743SS**SBendtrans-125.72.3-177-95.49.3000115.8
857E34Very low32.2Very low146 Ų146136.9 Ų136.968%0.68275%0.748SS**SBendtrans-111.3-0.9-174.6-70.3-178.8173.900114.4
858T33.2Very low32.3Very low128 Ų128137.6 Ų137.679%0.78575%0.752SS**SBendtrans-97.38.4-177.138.80000115.3
859S33.2Very low32.2Very low106 Ų106140.2 Ų140.274%0.74175%0.752SS**SBendtrans-111.83.7-179.7480000115.6
860E31.9Very low32.1Very low194 Ų194142.2 Ų142.291%0.90776%0.758SS**SBendtrans-126.76.9175.9-71.1-171.1160.900114.4
861A29.3Very low32.1Very low93 Ų93146.5 Ų146.577%0.76976%0.763SS**  trans-11477.4-178.800000111.3
862G27.3Very low32Very low68 Ų68147.1 Ų147.170%0.70177%0.772SS**  trans-166.551.9-178.700000113.3
863E28.5Very low32Very low190 Ų190148.9 Ų148.989%0.88879%0.787SS**SBendtrans177.785159.8-103.8171.2-15900108.8
864E28.9Very low32Very low172 Ų172146.9 Ų146.980%0.80479%0.792SS**  trans-175.590.5153.7-106.1-180-157.300109.5Q866E864-Q866 PolarHBondContact O-N 3.48Å; E864-Q866 VanDerWaalsContact O-N 3.09Å
865Q30.5Very low32Very low211 Ų211145.9 Ų145.999%0.98680%0.798SS**  trans-73.393.1162.9-79.2-177.1-4.600108.4
866Q32.2Very low31.7Very low167 Ų167151.4 Ų151.478%0.7882%0.821SS**  trans-84.4115.9163.2-104.2177.33000109.7E864E864-Q866 PolarHBondContact O-N 3.48Å; E864-Q866 VanDerWaalsContact O-N 3.09Å
867G32.6Very low31.9Very low74 Ų74152.7 Ų152.776%0.76383%0.828SS**  trans-60.6140.7171.700000112.9
868D31.1Very low31.8Very low157 Ų157154.8 Ų154.884%0.8484%0.835SS**  trans-47.9120.7-174.3-153.7-8000115.4
869K30Very low31.8Very low189 Ų189154.5 Ų154.582%0.82283%0.833SS**  trans-149.295.7160.7-83.3-169.3-179.6177.10109
870N31.1Very low31.7Very low155 Ų155157.7 Ų157.783%0.82984%0.836SS**  trans179.9106.1135.5-96.6-19.9000111.9
871R31.8Very low31.8Very low242 Ų242156.4 Ų156.491%0.91384%0.836SS**  trans-166.897.3142.4-113.7174.8-177.7-173.51.5110.8
872T30.7Very low31.9Very low148 Ų148155.5 Ų155.591%0.90884%0.835SS**  trans-146.8106.9150.235.40000107.8
873T36.6Very low32Very low136 Ų136162.4 Ų162.483%0.83485%0.846SS**  trans-115.1128.615937.90000107.8
874D33Very low32.3Very low163 Ų163159.5 Ų159.587%0.87284%0.841SS**  trans-12133170-67.8-42.6000119.5
875S37.1Very low32.3Very low120 Ų120160.3 Ų160.384%0.83985%0.845SS**  -165.9125.3122.352.50000110.9
876Q30.5Very low32.6Very low185 Ų185158.9 Ų158.986%0.86484%0.838SS**  trans-61.4136.7168.2-66.2166.1-4100110.4
877D36.8Very low32.5Very low162 Ų162157.9 Ų157.987%0.86684%0.838SS**  -169.6148.8122.2-102.5-30.8000113.3
878K30.8Very low32.7Very low190 Ų190163.2 Ų163.283%0.82684%0.843SS**  trans-67.1154.4-176.2-65.8168.2173.2175.40112.4
879V34.5Very low32.9Very low123 Ų123160 Ų16075%0.74584%0.838SS**  158.2121.2117166.60000111
880E31.4Very low32.9Very low173 Ų173160.1 Ų160.181%0.80884%0.842SS**  trans28132.6146.8-64.6174.3158.200124.2
881D32.8Very low33Very low167 Ų167164.7 Ų164.789%0.89386%0.864SS**  trans53.4113.3138.7-77-13.1000121.3
882G32.8Very low33.1Very low74 Ų74160.8 Ų160.876%0.76386%0.862SS**  trans-179.7102.916000000112.5V884G882-V884 PolarHBondContact O-N 2.85Å
883K29.3Very low33.2Very low213 Ų213161.5 Ų161.593%0.92686%0.86SS**  trans-48.6130.1170.1-74.7174.3171.1-179.60111.9
884V34.5Very low33Very low129 Ų129162.9 Ų162.978%0.78286%0.861SS**  trans-140.9116.6150.7-179.40000107.9G882G882-V884 PolarHBondContact O-N 2.85Å
885E28.8Very low33Very low188 Ų188162.9 Ų162.988%0.87986%0.86SS**  trans-63.9131.1160.2-72.2169.3144.200108.4
886E35.5Very low32.8Very low182 Ų182165.6 Ų165.685%0.8586%0.862SS**  trans-157.1117.2149.2-115.8168.2-16200109.6
887D31.2Very low32.9Very low146 Ų146164.3 Ų164.378%0.78186%0.862SS**  trans-47.4144162-76-48.7000110.9
888H36.3Very low32.7Very low185 Ų185164.4 Ų164.486%0.85686%0.861SS**  -175.9116.2129.2-89.2-54.6000111.9
889A35.1Very low32.8Very low89 Ų89162.5 Ų162.574%0.73686%0.864SS**  trans61.5105.5132.400000121.4
890E30.3Very low32.7Very low193 Ų193165.8 Ų165.890%0.90287%0.874SS**  trans13.7119.8131.9-62.4-177150.900119.9
891L34.1Very low32.8Very low250 Ų250165.1 Ų165.1100%1.30988%0.88SS**  -154.30121.3-101.7166.9000110.5

Retrieved 891 of 891 residues in 249.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).