A0A077ZCB8_TRITR Loading...

Metalloenzyme domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 407 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
1M86.9Confident97.1Very high89 Ų8916.1 Ų16.144%0.4388%0.075SC..  0116.80174.2-175.6-81.600106R3 D294 R337 D339M1-R3 HydrophobicContact CG-CG 4.13Å; M1-R3 HydrophobicContact SD-CG 4.39Å; M1-D294 VanDerWaalsContact C-OD1 3.25Å; M1-D294 WeakPolarHBondContact CA-OD1 3.42Å; M1-D294 HydrophobicContact CE-CB 4.26Å; M1-D294 HydrophobicContact CG-CB 3.76Å; M1-D294 WeakPolarHBondContact CG-OD1 3.32Å; M1-R337 PolarHBondContact SD-NH1 3.21Å; M1-D339 PolarHBondContact N-OD2 2.78Å; M1-D339 VanDerWaalsContact O-CB 3.24Å; M1-D339 WeakPolarHBondContact O-CB 3.22Å
2K94.3Very high97.2Very high81 Ų8115.1 Ų15.135%0.3527%0.07SC..  trans-98.7119.3-173.1-67.1-174.6179179.80110.3D294 N295 T296 Y394 F395K2-D294 PolarHBondContact N-OD1 3.38Å; K2-N295 WeakPolarHBondContact O-CA 3.35Å; K2-N295 PolarHBondContact O-N 3.14Å; K2-T296 PolarHBondContact O-N 3.36Å; K2-Y394 VanDerWaalsContact CA-OH 3.23Å; K2-Y394 WeakPolarHBondContact CA-OH 3.5Å; K2-Y394 HydrophobicContact CB-CE1 3.68Å; K2-Y394 HydrophobicContact CD-CE1 4.48Å; K2-Y394 HydrophobicContact CD-CE2 4.49Å; K2-Y394 WeakPolarHBondContact CD-O 3.23Å; K2-Y394 WeakPolarHBondContact CE-O 3.23Å; K2-Y394 HydrophobicContact CG-CE1 4.34Å; K2-Y394 HydrophobicContact CG-CE2 4.38Å; K2-Y394 PolarHBondContact NZ-O 3Å; K2-F395 HydrophobicContact CB-CD1 4.12Å; K2-F395 HydrophobicContact CB-CE1 4.04Å; K2-F395 WeakPolarHBondContact O-CE1 3.35Å
3R98.6Very high97.3Very high1 Ų113.9 Ų13.90%0.0047%0.065CC..EExtended strand (participates in β ladder)trans-132.6135.4175.9-44.8-176.4-66.5160.610108.7M1 F5 M289 A292 G293 T296 L335 D340 I341 Y394M1-R3 HydrophobicContact CG-CG 4.13Å; M1-R3 HydrophobicContact SD-CG 4.39Å; R3-F5 HydrophobicContact CB-CE1 4.2Å; R3-F5 HydrophobicContact CB-CE2 4.17Å; R3-F5 HydrophobicContact CB-CZ 3.74Å; R3-M289 PolarHBondContact NH1-O 3.05Å; R3-A292 WeakPolarHBondContact CD-O 3.48Å; R3-A292 PolarHBondContact NH1-O 3.15Å; R3-A292 VanDerWaalsContact NH1-O 3.08Å; R3-G293 VanDerWaalsContact CD-O 3.23Å; R3-G293 WeakPolarHBondContact CD-O 3.5Å; R3-G293 WeakPolarHBondContact CG-O 3.46Å; R3-T296 VanDerWaalsContact CA-O 3.3Å; R3-T296 WeakPolarHBondContact CA-O 3.26Å; R3-L335 PolarHBondContact NH2-O 3.46Å; R3-L335 VanDerWaalsContact NH2-O 3.13Å; R3-D340 VanDerWaalsContact CB-OD1 3.26Å; R3-D340 WeakPolarHBondContact CB-OD1 3.44Å; R3-D340 WeakPolarHBondContact CG-OD1 3.22Å; R3-D340 IonicContact CZ-OD1 3.22Å; R3-D340 IonicContact CZ-OD2 3.72Å; R3-D340 VanDerWaalsContact CZ-OD2 3.22Å; R3-D340 IonicContact NE-OD1 3.05Å; R3-D340 PolarHBondContact NE-OD1 3.27Å; R3-D340 IonicContact NE-OD2 3.75Å; R3-D340 PolarHBondContact NE-OD2 3.15Å; R3-D340 IonicContact NH2-OD2 2.62Å; R3-D340 PolarHBondContact NH2-OD2 2.87Å; R3-D340 WeakPolarHBondContact O-CA 3.37Å; R3-I341 PolarHBondContact O-N 3.49Å; R3-Y394 PolarHBondContact N-OH 2.95Å; R3-Y394 PolarHBondContact O-OH 3Å
4A98.8Very high97.4Very high0 Ų012.9 Ų12.90%06%0.06CC..EExtended strand (participates in β ladder)trans-118.2135.1174.900000109.6T296 I297 V298 I341 L391 Y394 F395A4-T296 PolarHBondContact N-O 3.44Å; A4-I297 HydrophobicContact CB-CG1 4.21Å; A4-I297 CarbonylContact O-C 3.57Å; A4-I297 VanDerWaalsContact O-CA 3.26Å; A4-I297 WeakPolarHBondContact O-CA 3.32Å; A4-V298 PolarHBondContact O-N 2.9Å; A4-I341 CarbonylContact C-O 3.55Å; A4-I341 WeakPolarHBondContact CA-O 3.3Å; A4-I341 HydrophobicContact CB-CD1 4.13Å; A4-I341 HydrophobicContact CB-CG1 3.75Å; A4-L391 HydrophobicContact CB-CD2 3.48Å; A4-L391 VanDerWaalsContact CB-CD2 3.48Å; A4-Y394 HydrophobicContact CB-CE1 4.35Å; A4-F395 HydrophobicContact CB-CE2 3.86Å; A4-F395 HydrophobicContact CB-CZ 3.73Å
5F98.9Very high97.5Very high0 Ų012.1 Ų12.10%06%0.057CC..EExtended strand (participates in β ladder)trans-118.8114.7179.6-52.3-61.5000107.6R3 M7 M289 A292 V298 L336 D340 I341 L342 I343R3-F5 HydrophobicContact CB-CE1 4.2Å; R3-F5 HydrophobicContact CB-CE2 4.17Å; R3-F5 HydrophobicContact CB-CZ 3.74Å; F5-M7 HydrophobicContact CB-CE 3.85Å; F5-M289 HydrophobicContact CB-CE 4.43Å; F5-M289 HydrophobicContact CD1-CB 4.5Å; F5-M289 HydrophobicContact CD1-CE 4.22Å; F5-M289 HydrophobicContact CD1-CG 3.59Å; F5-M289 HydrophobicContact CD1-SD 4.41Å; F5-M289 HydrophobicContact CD2-CE 3.61Å; F5-M289 HydrophobicContact CE1-CB 4.04Å; F5-M289 HydrophobicContact CE1-CE 4.36Å; F5-M289 HydrophobicContact CE1-CG 3.62Å; F5-M289 HydrophobicContact CE2-CE 3.76Å; F5-M289 HydrophobicContact CG-CE 3.81Å; F5-M289 HydrophobicContact CG-CG 4.11Å; F5-M289 HydrophobicContact CG-SD 4.36Å; F5-M289 HydrophobicContact CZ-CB 4.3Å; F5-M289 HydrophobicContact CZ-CE 4.12Å; F5-M289 HydrophobicContact CZ-CG 4.16Å; F5-A292 HydrophobicContact CE1-CB 4.2Å; F5-V298 CarbonylContact C-O 3.32Å; F5-V298 WeakPolarHBondContact CA-O 3.46Å; F5-V298 HydrophobicContact CD1-CB 3.86Å; F5-V298 HydrophobicContact CD1-CG2 3.82Å; F5-V298 HydrophobicContact CE1-CB 4.41Å; F5-V298 HydrophobicContact CE1-CG2 3.86Å; F5-L336 HydrophobicContact CD2-CD2 3.37Å; F5-L336 HydrophobicContact CE2-CD2 3.48Å; F5-L336 VanDerWaalsContact CE2-CD2 3.48Å; F5-D340 HydrophobicContact CE2-CB 4.05Å; F5-I341 PolarHBondContact N-O 2.89Å; F5-L342 HydrophobicContact CB-CD1 3.9Å; F5-L342 CarbonylContact O-C 3.58Å; F5-L342 WeakPolarHBondContact O-CA 3.22Å; F5-I343 PolarHBondContact O-N 2.88Å
6I98.9Very high97.5Very high1 Ų113.1 Ų13.11%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-110.8115.2-175.2-51.3170.4000108.1V8 I297 V298 F299 T300 I343 L391I6-V8 HydrophobicContact CG2-CG2 4.4Å; I6-I297 HydrophobicContact CD1-CG2 3.89Å; I6-I297 HydrophobicContact CG1-CG2 4.39Å; I6-V298 PolarHBondContact N-O 2.9Å; I6-F299 HydrophobicContact CB-CD1 4.44Å; I6-F299 HydrophobicContact CB-CD2 3.97Å; I6-F299 HydrophobicContact CB-CE2 4.23Å; I6-F299 HydrophobicContact CB-CG 4.08Å; I6-F299 HydrophobicContact CD1-CD1 3.88Å; I6-F299 HydrophobicContact CD1-CE1 4.03Å; I6-F299 HydrophobicContact CD1-CG 4.3Å; I6-F299 HydrophobicContact CG2-CD2 3.96Å; I6-F299 HydrophobicContact CG2-CE1 4.34Å; I6-F299 HydrophobicContact CG2-CE2 3.7Å; I6-F299 HydrophobicContact CG2-CG 4.41Å; I6-F299 HydrophobicContact CG2-CZ 3.89Å; I6-T300 PolarHBondContact O-N 3.43Å; I6-I343 WeakPolarHBondContact CA-O 3.37Å; I6-L391 HydrophobicContact CD1-CD1 3.56Å; I6-L391 HydrophobicContact CG1-CD1 4.42Å
7M98.8Very high97.5Very high0 Ų012.8 Ų12.80%07%0.066CC..EExtended strand (participates in β ladder)trans-108.9102.8178.7-53.4-57.9116.200108.1F5 L9 T285 F302 F325 L332 L342 I343 L344 T345F5-M7 HydrophobicContact CB-CE 3.85Å; M7-L9 HydrophobicContact CB-CD1 4.29Å; M7-T285 HydrophobicContact CE-CG2 3.62Å; M7-T285 HydrophobicContact SD-CG2 3.64Å; M7-F302 HydrophobicContact CB-CD2 4.46Å; M7-F302 HydrophobicContact CB-CE2 3.97Å; M7-F302 HydrophobicContact CG-CE2 4.29Å; M7-F302 HydrophobicContact SD-CE2 3.7Å; M7-F302 HydrophobicContact SD-CZ 4.19Å; M7-F325 HydrophobicContact CB-CZ 4.39Å; M7-L332 HydrophobicContact CG-CD1 4.34Å; M7-L332 HydrophobicContact SD-CD1 4.42Å; M7-L342 HydrophobicContact CE-CD1 4.48Å; M7-L342 HydrophobicContact CG-CD1 3.73Å; M7-I343 PolarHBondContact N-O 3.4Å; M7-L344 HydrophobicContact CB-CD2 4.47Å; M7-L344 HydrophobicContact CB-CG 4.29Å; M7-L344 WeakPolarHBondContact O-CA 3.43Å; M7-T345 PolarHBondContact O-N 2.79Å
8V98.8Very high97.4Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-88.3110170.91720000108I6 D10 I105 F299 T300 F302 T345 D347I6-V8 HydrophobicContact CG2-CG2 4.4Å; V8-D10 PolarHBondContact O-N 3.18Å; V8-I105 HydrophobicContact CG2-CD1 4.09Å; V8-F299 HydrophobicContact CB-CE2 4.39Å; V8-F299 HydrophobicContact CG2-CE2 3.53Å; V8-F299 HydrophobicContact CG2-CZ 4.11Å; V8-T300 PolarHBondContact N-O 2.73Å; V8-F302 WeakPolarHBondContact O-CB 3.38Å; V8-F302 PolarHBondContact O-N 3.11Å; V8-T345 CarbonylContact C-O 3.54Å; V8-T345 WeakPolarHBondContact CA-O 3.44Å; V8-T345 HydrophobicContact CG2-CG2 3.84Å; V8-D347 HydrophobicContact CG1-CB 4.15Å
9L98.7Very high97.3Very high3 Ų320.2 Ų20.22%0.01610%0.101CC..  trans-81.591.6165.5-74.269.1000105.5M7 S11 F12 F305 L322 F325 T345 A346M7-L9 HydrophobicContact CB-CD1 4.29Å; L9-S11 PolarHBondContact O-N 2.96Å; L9-F12 HydrophobicContact CB-CB 3.85Å; L9-F12 HydrophobicContact CB-CD1 4.19Å; L9-F12 HydrophobicContact CB-CG 4.37Å; L9-F12 HydrophobicContact CD2-CD1 3.92Å; L9-F12 HydrophobicContact CD2-CE1 4.29Å; L9-F12 VanDerWaalsContact O-CB 3.24Å; L9-F12 WeakPolarHBondContact O-CB 3.35Å; L9-F12 PolarHBondContact O-N 3.29Å; L9-F12 VanDerWaalsContact O-N 3.13Å; L9-F305 HydrophobicContact CB-CD2 4Å; L9-F305 HydrophobicContact CB-CE2 4.22Å; L9-F305 HydrophobicContact CD2-CE2 4.21Å; L9-F305 HydrophobicContact CD2-CZ 4.47Å; L9-F305 HydrophobicContact CG-CD2 4.17Å; L9-F305 HydrophobicContact CG-CE2 3.87Å; L9-L322 HydrophobicContact CD2-CD2 4.01Å; L9-F325 HydrophobicContact CD1-CE1 4.03Å; L9-F325 HydrophobicContact CD1-CE2 4.13Å; L9-F325 HydrophobicContact CD1-CZ 3.74Å; L9-F325 HydrophobicContact CD2-CD1 4.12Å; L9-F325 HydrophobicContact CD2-CE1 4.19Å; L9-F325 HydrophobicContact CD2-CG 4.48Å; L9-F325 HydrophobicContact CG-CZ 4.44Å; L9-T345 PolarHBondContact N-O 2.85Å; L9-A346 WeakPolarHBondContact O-CA 3.48Å; L9-A346 VanDerWaalsContact O-CB 3.27Å; L9-A346 WeakPolarHBondContact O-CB 3.26Å
10D98.1Very high97.3Very high2 Ų219.3 Ų19.31%0.01110%0.097CC..THydrogen-bonded Turntrans-45.7132.7-174.8-150.3-38.4000110.6V8 F12 N301 F302 V303 F305 D306 Y318 D347 H348V8-D10 PolarHBondContact O-N 3.18Å; D10-F12 PolarHBondContact O-N 3.03Å; D10-N301 WeakPolarHBondContact CB-OD1 3.48Å; D10-N301 PolarHBondContact OD2-ND2 3.02Å; D10-N301 PolarHBondContact OD2-OD1 2.96Å; D10-N301 VanDerWaalsContact OD2-OD1 3.11Å; D10-F302 WeakPolarHBondContact CB-O 3.47Å; D10-V303 WeakPolarHBondContact OD2-CA 3.33Å; D10-V303 WeakPolarHBondContact OD2-CG2 3.34Å; D10-F305 HydrophobicContact CB-CB 4.45Å; D10-F305 WeakPolarHBondContact O-CB 3.33Å; D10-D306 HydrophobicContact CB-CB 3.85Å; D10-D306 VanDerWaalsContact OD1-CB 3.27Å; D10-D306 WeakPolarHBondContact OD1-CB 3.26Å; D10-Y318 PolarHBondContact O-OH 3.42Å; D10-Y318 VanDerWaalsContact O-OH 3.14Å; D10-D347 WeakPolarHBondContact CA-OD1 3.36Å; D10-H348 IonicContact OD1-CE1 3.65Å; D10-H348 IonicContact OD1-NE2 2.7Å
11S97.3Very high97.2Very high0 Ų026.1 Ų26.10%013%0.129CC..THydrogen-bonded Turntrans56.414.8-18080.70000119.3L9 G13 D306 Y318 D347 H348 G349 C350L9-S11 PolarHBondContact O-N 2.96Å; S11-G13 VanDerWaalsContact C-N 3.32Å; S11-G13 PolarHBondContact O-N 3.28Å; S11-D306 WeakPolarHBondContact CB-OD1 3.45Å; S11-D306 VanDerWaalsContact OG-CA 3.22Å; S11-D306 WeakPolarHBondContact OG-CA 3.5Å; S11-D306 VanDerWaalsContact OG-CB 3.3Å; S11-D306 WeakPolarHBondContact OG-CB 3.35Å; S11-D306 PolarHBondContact OG-OD1 3.29Å; S11-Y318 PolarHBondContact O-OH 2.96Å; S11-Y318 PolarHBondContact OG-OH 3.37Å; S11-D347 PolarHBondContact N-OD1 2.69Å; S11-H348 CarbonylContact C-O 3.52Å; S11-H348 VanDerWaalsContact CA-O 3.23Å; S11-H348 WeakPolarHBondContact CA-O 3.26Å; S11-H348 VanDerWaalsContact CB-CE1 3.43Å; S11-H348 WeakPolarHBondContact CB-CE1 3.47Å; S11-H348 WeakPolarHBondContact CB-ND1 3.49Å; S11-G349 CarbonylContact O-C 3.59Å; S11-G349 WeakPolarHBondContact O-CA 3.31Å; S11-C350 PolarHBondContact O-N 2.81Å; S11-C350 WeakPolarHBondContact OG-CB 3.33Å
12F98.5Very high97.6Very high4 Ų429.7 Ų29.72%0.01814%0.137CC..  trans-82.568.2-178.5-172.5-131.3000114L9 D10 T30 L31 L61 Y318 L322 A346 H348 P365L9-F12 HydrophobicContact CB-CB 3.85Å; L9-F12 HydrophobicContact CB-CD1 4.19Å; L9-F12 HydrophobicContact CB-CG 4.37Å; L9-F12 HydrophobicContact CD2-CD1 3.92Å; L9-F12 HydrophobicContact CD2-CE1 4.29Å; L9-F12 VanDerWaalsContact O-CB 3.24Å; L9-F12 WeakPolarHBondContact O-CB 3.35Å; L9-F12 PolarHBondContact O-N 3.29Å; L9-F12 VanDerWaalsContact O-N 3.13Å; D10-F12 PolarHBondContact O-N 3.03Å; F12-T30 HydrophobicContact CD2-CG2 4.34Å; F12-L31 HydrophobicContact CE2-CB 4.04Å; F12-L31 HydrophobicContact CE2-CD1 4.06Å; F12-L31 HydrophobicContact CZ-CB 4.35Å; F12-L31 HydrophobicContact CZ-CD1 3.92Å; F12-L31 HydrophobicContact CZ-CD2 4.48Å; F12-L31 HydrophobicContact CZ-CG 4.48Å; F12-L61 HydrophobicContact CE1-CD1 4.07Å; F12-L61 HydrophobicContact CE1-CD2 3.94Å; F12-L61 HydrophobicContact CZ-CD1 4.47Å; F12-L61 HydrophobicContact CZ-CD2 3.9Å; F12-Y318 WeakPolarHBondContact CA-OH 3.31Å; F12-Y318 HydrophobicContact CD2-CE1 4.06Å; F12-Y318 PolarHBondContact N-OH 3.01Å; F12-L322 HydrophobicContact CD1-CD2 4.29Å; F12-L322 HydrophobicContact CD2-CD1 4.11Å; F12-L322 HydrophobicContact CD2-CD2 3.94Å; F12-L322 HydrophobicContact CE1-CD2 4.07Å; F12-L322 HydrophobicContact CE2-CD1 3.47Å; F12-L322 VanDerWaalsContact CE2-CD1 3.47Å; F12-L322 HydrophobicContact CE2-CD2 3.72Å; F12-L322 HydrophobicContact CE2-CG 4.26Å; F12-L322 HydrophobicContact CG-CD2 4.22Å; F12-L322 HydrophobicContact CZ-CD1 3.99Å; F12-L322 HydrophobicContact CZ-CD2 3.76Å; F12-A346 HydrophobicContact CB-CB 4.02Å; F12-A346 WeakPolarHBondContact O-CB 3.29Å; F12-H348 PolarHBondContact N-O 2.96Å; F12-P365 HydrophobicContact CD1-CG 4.21Å; F12-P365 WeakPolarHBondContact O-CD 3.45Å
13G98.6Very high97.4Very high0 Ų028.3 Ų28.30%013%0.131CC..  trans-66.2160.2175.200000114.5S11 T30 L31 H348 E362 H363S11-G13 VanDerWaalsContact C-N 3.32Å; S11-G13 PolarHBondContact O-N 3.28Å; G13-T30 WeakPolarHBondContact O-CB 3.4Å; G13-L31 PolarHBondContact O-N 2.98Å; G13-L31 VanDerWaalsContact O-N 3.09Å; G13-H348 PolarHBondContact N-O 2.97Å; G13-E362 VanDerWaalsContact C-OE2 3.24Å; G13-E362 WeakPolarHBondContact CA-OE2 3.36Å; G13-H363 WeakPolarHBondContact CA-O 3.46Å
14I98.7Very high97.2Very high0 Ų030.9 Ų30.90%016%0.158CC..  trans-132.437.5-179.756.9162000112.4L31 L61 A64 H65 S68 T69 W88 E362 H363 P365I14-L31 HydrophobicContact CG2-CB 3.93Å; I14-L31 HydrophobicContact CG2-CD2 3.77Å; I14-L61 HydrophobicContact CG2-CD1 4.12Å; I14-A64 HydrophobicContact CD1-CB 3.88Å; I14-H65 HydrophobicContact CB-CB 4.42Å; I14-S68 WeakPolarHBondContact O-CB 3.45Å; I14-S68 PolarHBondContact O-OG 3.16Å; I14-T69 WeakPolarHBondContact O-CG2 3.38Å; I14-W88 HydrophobicContact CD1-CB 3.62Å; I14-E362 PolarHBondContact N-OE2 3.3Å; I14-H363 HydrophobicContact CG1-CB 4.1Å; I14-H363 VanDerWaalsContact CG1-O 3.27Å; I14-H363 WeakPolarHBondContact CG1-O 3.48Å; I14-H363 PolarHBondContact N-O 3.25Å; I14-P365 HydrophobicContact CD1-CB 4.01Å; I14-P365 HydrophobicContact CG2-CB 4.14Å; I14-P365 HydrophobicContact CG2-CG 4.1Å
15G98.3Very high97.1Very high1 Ų131.2 Ų31.21%0.0116%0.16CC..SBendtrans113.6144.4175.400000114.4A28 D29 E362 H363G15-A28 CarbonylContact C-O 3.6Å; G15-A28 WeakPolarHBondContact CA-O 3.11Å; G15-D29 PolarHBondContact N-OD1 3.44Å; G15-E362 PolarHBondContact N-OE2 2.86Å; G15-E362 CarbonylContact O-C 3.51Å; G15-E362 VanDerWaalsContact O-CA 3.28Å; G15-E362 WeakPolarHBondContact O-CA 3.48Å; G15-E362 WeakPolarHBondContact O-CB 3.39Å; G15-H363 PolarHBondContact O-N 3.43Å; G15-H363 PolarHBondContact O-ND1 2.88Å
16A97.7Very high97Very high27 Ų2735.8 Ų35.822%0.22319%0.187CC..BIsolated β-bridgetrans-54.9141-175.100000113.5A20 A28 R361A16-A20 HydrophobicContact CB-CB 3.91Å; A16-A28 PolarHBondContact N-O 2.82Å; A16-R361 WeakPolarHBondContact CA-O 3.33Å
17T97.3Very high97Very high8 Ų837.8 Ų37.85%0.04921%0.208CC..  trans-79.2168.7170.757.80000111.7D19 A20 R361T17-D19 PolarHBondContact O-N 3.06Å; T17-D19 PolarHBondContact OG1-OD1 3.23Å; T17-A20 VanDerWaalsContact O-CB 3.25Å; T17-A20 WeakPolarHBondContact O-CB 3.46Å; T17-A20 PolarHBondContact O-N 2.81Å; T17-R361 PolarHBondContact N-O 3.29Å; T17-R361 VanDerWaalsContact OG1-CG 3.25Å; T17-R361 WeakPolarHBondContact OG1-CG 3.4Å
18E95.6Very high96.9Very high142 Ų14237.8 Ų37.866%0.66421%0.208SC*.THydrogen-bonded Turntrans-60.3-26175.8-64.180.1-179.700113.2H90 H363E18-H90 IonicContact OE2-CD2 2.62Å; E18-H363 IonicContact OE2-NE2 3.54Å
19D96.1Very high96.9Very high25 Ų2538.8 Ų38.813%0.13421%0.214CC..THydrogen-bonded Turntrans-96.14.4-178.783.8-31.9000114.4T17 E21 R22 H90 R361T17-D19 PolarHBondContact O-N 3.06Å; T17-D19 PolarHBondContact OG1-OD1 3.23Å; D19-E21 PolarHBondContact O-N 2.89Å; D19-E21 VanDerWaalsContact O-N 3.08Å; D19-R22 WeakPolarHBondContact O-CB 3.42Å; D19-R22 PolarHBondContact O-N 2.92Å; D19-R22 IonicContact OD2-NH1 2.79Å; D19-R22 PolarHBondContact OD2-NH1 3.35Å; D19-H90 IonicContact OD1-NE2 3.93Å; D19-R361 WeakPolarHBondContact OD1-CG 3.2Å; D19-R361 IonicContact OD1-CZ 3.39Å; D19-R361 IonicContact OD1-NE 3.81Å; D19-R361 PolarHBondContact OD1-NE 3.05Å; D19-R361 IonicContact OD1-NH2 3.65Å; D19-R361 IonicContact OD2-CZ 3.88Å; D19-R361 IonicContact OD2-NE 3.39Å; D19-R361 IonicContact OD2-NH2 3.18Å; D19-R361 PolarHBondContact OD2-NH2 3.38Å
20A96.3Very high96.9Very high2 Ų238.7 Ų38.72%0.01721%0.213CC..G310 helixtrans-58.6-23.5-178.100000114.3A16 T17 R22 F23 G24 D25 R361A16-A20 HydrophobicContact CB-CB 3.91Å; T17-A20 VanDerWaalsContact O-CB 3.25Å; T17-A20 WeakPolarHBondContact O-CB 3.46Å; T17-A20 PolarHBondContact O-N 2.81Å; A20-R22 PolarHBondContact O-N 3.28Å; A20-F23 PolarHBondContact O-N 2.69Å; A20-G24 PolarHBondContact O-N 2.58Å; A20-G24 VanDerWaalsContact O-N 3.12Å; A20-D25 HydrophobicContact CB-CB 4.24Å; A20-D25 PolarHBondContact O-N 3.11Å; A20-R361 HydrophobicContact CB-CB 4.26Å; A20-R361 HydrophobicContact CB-CG 4.4Å
21E96Very high96.9Very high163 Ų16338.6 Ų38.676%0.76221%0.213SC*.G310 helixtrans-58.1-35.3173.6-172.8175.8-152.800112.4D19 F23 G24 V26D19-E21 PolarHBondContact O-N 2.89Å; D19-E21 VanDerWaalsContact O-N 3.08Å; E21-F23 PolarHBondContact O-N 2.89Å; E21-G24 PolarHBondContact O-N 2.73Å; E21-V26 VanDerWaalsContact CA-CG2 3.46Å; E21-V26 HydrophobicContact CB-CG2 3.72Å; E21-V26 HydrophobicContact CG-CG2 4.33Å
22R94.2Very high97Very high164 Ų16439 Ų3962%0.61922%0.217SC*.G310 helixtrans-63-24.6177.9-65.2167.960-147.2-3.1112.6D19 A20D19-R22 WeakPolarHBondContact O-CB 3.42Å; D19-R22 PolarHBondContact O-N 2.92Å; D19-R22 IonicContact OD2-NH1 2.79Å; D19-R22 PolarHBondContact OD2-NH1 3.35Å; A20-R22 PolarHBondContact O-N 3.28Å
23F92Very high97Very high51 Ų5141 Ų4122%0.22423%0.226CC..G310 helixtrans-105.4-4.9-177.3-57.8-87.2000113A20 E21 D25 S94 K96 R361A20-F23 PolarHBondContact O-N 2.69Å; E21-F23 PolarHBondContact O-N 2.89Å; F23-D25 VanDerWaalsContact C-N 3.32Å; F23-D25 HydrophobicContact CB-CB 4.41Å; F23-D25 VanDerWaalsContact CB-OD2 3.24Å; F23-D25 WeakPolarHBondContact CB-OD2 3.42Å; F23-S94 WeakPolarHBondContact CE1-O 3.35Å; F23-S94 VanDerWaalsContact CZ-O 3.23Å; F23-S94 WeakPolarHBondContact CZ-O 3.42Å; F23-K96 HydrophobicContact CD1-CD 4.05Å; F23-K96 HydrophobicContact CD1-CG 4.3Å; F23-K96 HydrophobicContact CE1-CG 4.48Å; F23-K96 HydrophobicContact CG-CD 4.45Å; F23-R361 HydrophobicContact CB-CB 4.13Å; F23-R361 HydrophobicContact CD2-CB 3.69Å; F23-R361 HydrophobicContact CD2-CG 3.61Å; F23-R361 HydrophobicContact CE2-CB 4.3Å; F23-R361 HydrophobicContact CE2-CG 3.78Å; F23-R361 HydrophobicContact CG-CB 4Å; F23-R361 HydrophobicContact CG-CG 4.38Å
24G94.1Very high97Very high55 Ų5541 Ų4157%0.56723%0.226SC*.THydrogen-bonded Turntrans7422-173.600000113.8A20 E21A20-G24 PolarHBondContact O-N 2.58Å; A20-G24 VanDerWaalsContact O-N 3.12Å; E21-G24 PolarHBondContact O-N 2.73Å
25D96.6Very high97Very high7 Ų741 Ų414%0.03723%0.226CC..  trans-109.618.4-170.8-61.5-32.9000113.2A20 F23 G27 A28 K96 W354 T360 R361A20-D25 HydrophobicContact CB-CB 4.24Å; A20-D25 PolarHBondContact O-N 3.11Å; F23-D25 VanDerWaalsContact C-N 3.32Å; F23-D25 HydrophobicContact CB-CB 4.41Å; F23-D25 VanDerWaalsContact CB-OD2 3.24Å; F23-D25 WeakPolarHBondContact CB-OD2 3.42Å; D25-G27 PolarHBondContact O-N 3.43Å; D25-A28 HydrophobicContact CB-CB 4.32Å; D25-A28 WeakPolarHBondContact O-CB 3.17Å; D25-A28 PolarHBondContact O-N 3.23Å; D25-K96 IonicContact OD1-NZ 3.89Å; D25-K96 IonicContact OD2-NZ 3.96Å; D25-K96 PolarHBondContact OD2-NZ 3.26Å; D25-W354 PolarHBondContact OD1-NE1 3.37Å; D25-W354 VanDerWaalsContact OD1-NE1 3.17Å; D25-T360 WeakPolarHBondContact OD2-CA 3.11Å; D25-R361 HydrophobicContact CB-CB 4.19Å; D25-R361 PolarHBondContact OD2-N 3.41Å
26V97.2Very high97Very high96 Ų9644.9 Ų44.958%0.58224%0.244SC*.THydrogen-bonded Turntrans-59115.2-179.3177.50000110.4E21 W354E21-V26 VanDerWaalsContact CA-CG2 3.46Å; E21-V26 HydrophobicContact CB-CG2 3.72Å; E21-V26 HydrophobicContact CG-CG2 4.33Å; V26-W354 VanDerWaalsContact O-CH2 3.24Å; V26-W354 WeakPolarHBondContact O-CH2 3.43Å
27G97Very high97.1Very high43 Ų4343.9 Ų43.944%0.44324%0.236SC..THydrogen-bonded Turntrans92.43.8179.800000114.7D25 H33D25-G27 PolarHBondContact O-N 3.43Å; G27-H33 PolarHBondContact O-CE1 2.97Å; G27-H33 VanDerWaalsContact O-CE1 3.3Å
28A97.8Very high97.1Very high0 Ų043.5 Ų43.50%023%0.233CC..  trans-58.2137166.500000110.1G15 A16 D25 W354 T360 E362G15-A28 CarbonylContact C-O 3.6Å; G15-A28 WeakPolarHBondContact CA-O 3.11Å; A16-A28 PolarHBondContact N-O 2.82Å; D25-A28 HydrophobicContact CB-CB 4.32Å; D25-A28 WeakPolarHBondContact O-CB 3.17Å; D25-A28 PolarHBondContact O-N 3.23Å; A28-W354 HydrophobicContact CB-CD2 4.13Å; A28-W354 HydrophobicContact CB-CE3 4.05Å; A28-W354 HydrophobicContact CB-CH2 4.49Å; A28-W354 HydrophobicContact CB-CZ3 4.24Å; A28-T360 HydrophobicContact CB-CG2 3.68Å; A28-E362 HydrophobicContact CB-CG 3.97Å
29D98.6Very high97.3Very high22 Ų2239.1 Ų39.112%0.11822%0.222CC..  trans-156.886.7-179.9-176.6-0.5000109.4G15 L31 G32 H33 H65 D351 E362G15-D29 PolarHBondContact N-OD1 3.44Å; D29-L31 PolarHBondContact O-N 3.18Å; D29-G32 PolarHBondContact O-N 3.05Å; D29-G32 WeakPolarHBondContact OD1-CA 3.4Å; D29-G32 PolarHBondContact OD1-N 2.79Å; D29-G32 WeakPolarHBondContact OD2-CA 3.26Å; D29-H33 WeakPolarHBondContact O-CB 3.4Å; D29-H33 PolarHBondContact O-N 2.93Å; D29-H33 PolarHBondContact O-ND1 2.9Å; D29-H65 IonicContact OD1-CD2 2.93Å; D29-H65 IonicContact OD1-NE2 2.68Å; D29-H65 PolarHBondContact OD1-NE2 3.46Å; D29-H65 VanDerWaalsContact OD1-NE2 3.15Å; D29-H65 IonicContact OD2-CE1 3.95Å; D29-H65 IonicContact OD2-NE2 3.68Å; D29-H65 PolarHBondContact OD2-NE2 3.31Å; D29-D351 PolarHBondContact N-OD2 3.27Å; D29-E362 WeakPolarHBondContact CA-OE2 3.33Å
30T98.7Very high97.4Very high0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-56.5-54.3-173.1-630000110.9F12 G13 I34 Y318 C350 D351 E362F12-T30 HydrophobicContact CD2-CG2 4.34Å; G13-T30 WeakPolarHBondContact O-CB 3.4Å; T30-I34 HydrophobicContact CG2-CD1 3.82Å; T30-I34 WeakPolarHBondContact O-CB 3.15Å; T30-I34 VanDerWaalsContact O-CD1 3.27Å; T30-I34 WeakPolarHBondContact O-CD1 3.32Å; T30-I34 WeakPolarHBondContact O-CG1 3.22Å; T30-I34 PolarHBondContact O-N 2.88Å; T30-I34 VanDerWaalsContact O-N 3.16Å; T30-Y318 HydrophobicContact CG2-CE2 4.2Å; T30-C350 PolarHBondContact OG1-N 2.79Å; T30-D351 VanDerWaalsContact OG1-CA 3.27Å; T30-D351 WeakPolarHBondContact OG1-CA 3.45Å; T30-D351 PolarHBondContact OG1-N 2.97Å; T30-E362 PolarHBondContact N-OE1 3.2Å; T30-E362 PolarHBondContact N-OE2 3.49Å; T30-E362 PolarHBondContact OG1-OE1 2.82Å; T30-E362 PolarHBondContact OG1-OE2 3.28Å
31L98.8Very high97.4Very high0 Ų044.9 Ų44.90%025%0.254CS..Hα-helixtrans-63.9-48.3177.417258.6000112.1F12 G13 I14 D29 H33 I34 A35 L51 L53 L61 H65 P73 M76F12-L31 HydrophobicContact CE2-CB 4.04Å; F12-L31 HydrophobicContact CE2-CD1 4.06Å; F12-L31 HydrophobicContact CZ-CB 4.35Å; F12-L31 HydrophobicContact CZ-CD1 3.92Å; F12-L31 HydrophobicContact CZ-CD2 4.48Å; F12-L31 HydrophobicContact CZ-CG 4.48Å; G13-L31 PolarHBondContact O-N 2.98Å; G13-L31 VanDerWaalsContact O-N 3.09Å; I14-L31 HydrophobicContact CG2-CB 3.93Å; I14-L31 HydrophobicContact CG2-CD2 3.77Å; D29-L31 PolarHBondContact O-N 3.18Å; L31-H33 PolarHBondContact O-N 3.2Å; L31-I34 PolarHBondContact O-N 3.46Å; L31-A35 VanDerWaalsContact O-CB 3.25Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.44Å; L31-L51 HydrophobicContact CD1-CD2 3.89Å; L31-L53 HydrophobicContact CD1-CD1 4.47Å; L31-L61 HydrophobicContact CD1-CD2 4.47Å; L31-L61 HydrophobicContact CD2-CD1 3.84Å; L31-L61 HydrophobicContact CD2-CD2 4.01Å; L31-L61 HydrophobicContact CD2-CG 3.72Å; L31-H65 HydrophobicContact CD2-CB 3.99Å; L31-P73 HydrophobicContact CD2-CG 3.88Å; L31-P73 HydrophobicContact CG-CB 4.32Å; L31-P73 HydrophobicContact CG-CG 3.98Å; L31-M76 HydrophobicContact CD1-SD 4.14Å
32G98.7Very high97.5Very high8 Ų843.8 Ų43.88%0.08225%0.249CC..Hα-helixtrans-61.4-46.3-17500000112.6D29 A35 E36 H65D29-G32 PolarHBondContact O-N 3.05Å; D29-G32 WeakPolarHBondContact OD1-CA 3.4Å; D29-G32 PolarHBondContact OD1-N 2.79Å; D29-G32 WeakPolarHBondContact OD2-CA 3.26Å; G32-A35 PolarHBondContact O-N 3.49Å; G32-E36 WeakPolarHBondContact O-CB 3.31Å; G32-E36 PolarHBondContact O-N 3.05Å; G32-H65 WeakPolarHBondContact CA-NE2 3.39Å; G32-H65 PolarHBondContact N-NE2 2.96Å
33H98.7Very high97.7Very high48 Ų4836 Ų3622%0.22222%0.22CC..Hα-helixtrans-73.3-35.9-179.8-65.7150.1000113G27 D29 L31 A35 E36 A37 D351 T353G27-H33 PolarHBondContact O-CE1 2.97Å; G27-H33 VanDerWaalsContact O-CE1 3.3Å; D29-H33 WeakPolarHBondContact O-CB 3.4Å; D29-H33 PolarHBondContact O-N 2.93Å; D29-H33 PolarHBondContact O-ND1 2.9Å; L31-H33 PolarHBondContact O-N 3.2Å; H33-A35 VanDerWaalsContact C-N 3.32Å; H33-A35 PolarHBondContact O-N 3.4Å; H33-E36 IonicContact CD2-OE2 3.54Å; H33-E36 PolarHBondContact O-N 2.95Å; H33-A37 WeakPolarHBondContact O-CB 3.41Å; H33-A37 PolarHBondContact O-N 3.36Å; H33-D351 IonicContact CE1-OD2 2.67Å; H33-D351 PolarHBondContact CE1-OD2 3.49Å; H33-D351 IonicContact CG-OD2 2.67Å; H33-D351 IonicContact ND1-OD1 2.69Å; H33-D351 IonicContact ND1-OD2 3.07Å; H33-D351 PolarHBondContact ND1-OD2 2.99Å; H33-T353 HydrophobicContact CB-CG2 3.93Å; H33-T353 WeakPolarHBondContact CB-OG1 3.28Å; H33-T353 PolarHBondContact ND1-OG1 3.03Å
34I98.8Very high98Very high0 Ų037.6 Ų37.60%023%0.231CC..Hα-helixtrans-59.9-46.4170.1-69.1167.4000109.9T30 L31 E36 A37 C38 L51 V315 Y318 A319 L322 P352T30-I34 HydrophobicContact CG2-CD1 3.82Å; T30-I34 WeakPolarHBondContact O-CB 3.15Å; T30-I34 VanDerWaalsContact O-CD1 3.27Å; T30-I34 WeakPolarHBondContact O-CD1 3.32Å; T30-I34 WeakPolarHBondContact O-CG1 3.22Å; T30-I34 PolarHBondContact O-N 2.88Å; T30-I34 VanDerWaalsContact O-N 3.16Å; L31-I34 PolarHBondContact O-N 3.46Å; I34-E36 PolarHBondContact O-N 3.3Å; I34-A37 PolarHBondContact O-N 3.35Å; I34-C38 WeakPolarHBondContact O-CB 3.45Å; I34-C38 PolarHBondContact O-N 2.9Å; I34-C38 PolarHBondContact O-SG 3.41Å; I34-L51 HydrophobicContact CG2-CD1 4.34Å; I34-L51 HydrophobicContact CG2-CD2 4.16Å; I34-V315 HydrophobicContact CG1-CG1 4.35Å; I34-Y318 HydrophobicContact CD1-CD1 3.71Å; I34-Y318 HydrophobicContact CD1-CD2 3.96Å; I34-Y318 HydrophobicContact CD1-CE1 4.19Å; I34-Y318 HydrophobicContact CD1-CE2 4.37Å; I34-Y318 HydrophobicContact CD1-CG 3.61Å; I34-A319 HydrophobicContact CG2-CB 3.78Å; I34-L322 HydrophobicContact CD1-CD1 4.39Å; I34-P352 HydrophobicContact CD1-CG 3.78Å; I34-P352 HydrophobicContact CG1-CG 3.49Å; I34-P352 VanDerWaalsContact CG1-CG 3.49Å
35A98.8Very high98.1Very high0 Ų040.9 Ų40.90%024%0.235CC..Hα-helixtrans-62.3-42.9179.400000111.6L31 G32 H33 C38 A39 L51 P73 A74L31-A35 VanDerWaalsContact O-CB 3.25Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.44Å; G32-A35 PolarHBondContact O-N 3.49Å; H33-A35 VanDerWaalsContact C-N 3.32Å; H33-A35 PolarHBondContact O-N 3.4Å; A35-C38 PolarHBondContact O-N 3.45Å; A35-A39 WeakPolarHBondContact O-CB 3.34Å; A35-A39 PolarHBondContact O-N 3.02Å; A35-L51 HydrophobicContact CB-CB 4.44Å; A35-L51 HydrophobicContact CB-CD2 3.99Å; A35-P73 HydrophobicContact CB-CB 3.77Å; A35-A74 HydrophobicContact CB-CB 4.43Å; A35-A74 WeakPolarHBondContact CB-O 3.28Å
36E98.6Very high98.1Very high81 Ų8144.7 Ų44.738%0.37928%0.276SS..Hα-helixtrans-63.4-48.7177.5-170.9-177.8-165.900112.2G32 H33 I34 C38 A39 K40G32-E36 WeakPolarHBondContact O-CB 3.31Å; G32-E36 PolarHBondContact O-N 3.05Å; H33-E36 IonicContact CD2-OE2 3.54Å; H33-E36 PolarHBondContact O-N 2.95Å; I34-E36 PolarHBondContact O-N 3.3Å; E36-C38 VanDerWaalsContact C-N 3.31Å; E36-C38 PolarHBondContact O-N 2.82Å; E36-A39 PolarHBondContact O-N 3.29Å; E36-A39 VanDerWaalsContact O-N 3.13Å; E36-K40 HydrophobicContact CG-CD 4.19Å; E36-K40 VanDerWaalsContact CG-CE 3.5Å; E36-K40 WeakPolarHBondContact O-CG 3.44Å; E36-K40 PolarHBondContact O-N 2.84Å; E36-K40 WeakPolarHBondContact OE1-CE 3.44Å; E36-K40 IonicContact OE1-NZ 3.46Å; E36-K40 PolarHBondContact OE1-NZ 3.38Å; E36-K40 IonicContact OE2-NZ 3.97Å
37A98.6Very high98.1Very high6 Ų641.1 Ų41.15%0.0525%0.252CS..Hα-helixtrans-60.8-40.4177.500000111.8H33 I34 K40 G41 E42 A43 V315H33-A37 WeakPolarHBondContact O-CB 3.41Å; H33-A37 PolarHBondContact O-N 3.36Å; I34-A37 PolarHBondContact O-N 3.35Å; A37-K40 PolarHBondContact O-N 2.87Å; A37-G41 PolarHBondContact O-N 3.03Å; A37-E42 HydrophobicContact CB-CB 4.31Å; A37-E42 PolarHBondContact O-N 2.7Å; A37-A43 PolarHBondContact O-N 2.82Å; A37-V315 HydrophobicContact CB-CG1 3.71Å
38C98.7Very high98.1Very high0 Ų047.4 Ų47.40%027%0.267CS..Hα-helixtrans-60.7-46.2172.3-68.70000112I34 A35 E36 K40 G41 G49 L51 A319I34-C38 WeakPolarHBondContact O-CB 3.45Å; I34-C38 PolarHBondContact O-N 2.9Å; I34-C38 PolarHBondContact O-SG 3.41Å; A35-C38 PolarHBondContact O-N 3.45Å; E36-C38 VanDerWaalsContact C-N 3.31Å; E36-C38 PolarHBondContact O-N 2.82Å; C38-K40 VanDerWaalsContact C-N 3.28Å; C38-K40 PolarHBondContact O-N 3.39Å; C38-G41 PolarHBondContact O-N 3.38Å; C38-G41 VanDerWaalsContact O-N 3.08Å; C38-G49 CarbonylContact O-C 3.41Å; C38-L51 HydrophobicContact CB-CB 3.98Å; C38-A319 VanDerWaalsContact SG-CB 3.55Å
39A98.2Very high98.1Very high51 Ų5148.5 Ų48.542%0.42128%0.278SS..Hα-helixtrans-64.8-31.6-179.600000112.9A35 E36 G41 A74A35-A39 WeakPolarHBondContact O-CB 3.34Å; A35-A39 PolarHBondContact O-N 3.02Å; E36-A39 PolarHBondContact O-N 3.29Å; E36-A39 VanDerWaalsContact O-N 3.13Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-A74 HydrophobicContact CB-CB 3.86Å
40K98.1Very high98.1Very high116 Ų11651 Ų5150%0.50430%0.296SS..Hα-helixtrans-79.5-9.1174.5-68.1174.3-175.1164.90113.8E36 A37 C38 E42E36-K40 HydrophobicContact CG-CD 4.19Å; E36-K40 VanDerWaalsContact CG-CE 3.5Å; E36-K40 WeakPolarHBondContact O-CG 3.44Å; E36-K40 PolarHBondContact O-N 2.84Å; E36-K40 WeakPolarHBondContact OE1-CE 3.44Å; E36-K40 IonicContact OE1-NZ 3.46Å; E36-K40 PolarHBondContact OE1-NZ 3.38Å; E36-K40 IonicContact OE2-NZ 3.97Å; A37-K40 PolarHBondContact O-N 2.87Å; C38-K40 VanDerWaalsContact C-N 3.28Å; C38-K40 PolarHBondContact O-N 3.39Å; K40-E42 VanDerWaalsContact C-N 3.28Å; K40-E42 HydrophobicContact CB-CG 3.88Å; K40-E42 WeakPolarHBondContact CD-OE1 3.1Å
41G97.8Very high98.1Very high32 Ų3251.2 Ų51.233%0.3330%0.297SS..THydrogen-bonded Turntrans76.112.6-174.800000113.9A37 C38 A39 A43 D44A37-G41 PolarHBondContact O-N 3.03Å; C38-G41 PolarHBondContact O-N 3.38Å; C38-G41 VanDerWaalsContact O-N 3.08Å; A39-G41 VanDerWaalsContact C-N 3.31Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 2.97Å; G41-D44 WeakPolarHBondContact O-CB 3.32Å
42E98.2Very high98Very high140 Ų14055.7 Ų55.765%0.65432%0.321SS*.THydrogen-bonded Turntrans-75.1-20.9179.5-65.7168.7-178.700111.7A37 K40A37-E42 HydrophobicContact CB-CB 4.31Å; A37-E42 PolarHBondContact O-N 2.7Å; K40-E42 VanDerWaalsContact C-N 3.28Å; K40-E42 HydrophobicContact CB-CG 3.88Å; K40-E42 WeakPolarHBondContact CD-OE1 3.1Å
43A97.8Very high98Very high1 Ų155.5 Ų55.51%0.00832%0.318CS..THydrogen-bonded Turntrans-1012217700000113.5A37 G41 N45 R47 V315 A316A37-A43 PolarHBondContact O-N 2.82Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 2.97Å; A43-N45 PolarHBondContact O-N 2.7Å; A43-R47 VanDerWaalsContact O-CG 3.26Å; A43-R47 WeakPolarHBondContact O-CG 3.3Å; A43-R47 PolarHBondContact O-NH1 3.08Å; A43-V315 HydrophobicContact CB-CG1 4.08Å; A43-A316 HydrophobicContact CB-CB 4.25Å; A43-A316 WeakPolarHBondContact O-CB 3.46Å
44D98.1Very high98Very high84 Ų8456 Ų5645%0.44933%0.326SS..  trans-82.259.3-178.8-777.5000112.3G41 R47 K48 G49G41-D44 WeakPolarHBondContact O-CB 3.32Å; D44-R47 CarbonylContact C-O 3.36Å; D44-R47 VanDerWaalsContact CA-O 3.32Å; D44-R47 WeakPolarHBondContact CA-O 3.41Å; D44-R47 IonicContact OD1-NH1 3.89Å; D44-K48 VanDerWaalsContact OD1-CA 3.23Å; D44-K48 WeakPolarHBondContact OD1-CA 3.12Å; D44-G49 PolarHBondContact OD1-N 2.62Å
45N96.7Very high98Very high124 Ų12458 Ų5866%0.66334%0.336SS*.SBendtrans-130.1113.7175-17919.4000110.3A43 R47 A316A43-N45 PolarHBondContact O-N 2.7Å; N45-R47 PolarHBondContact N-O 2.78Å; N45-R47 PolarHBondContact O-N 2.68Å; N45-A316 HydrophobicContact CB-CB 3.97Å
46G95.3Very high98Very high86 Ų8658 Ų5889%0.88734%0.336SS*.SBendtrans71.1-14.2-17200000114.8
47R97.3Very high98Very high22 Ų2254.7 Ų54.78%0.08332%0.322CS..SBendtrans-136.9176.7171.462.7164.8-55.4-71.70.5109.8A43 D44 N45 G49 P50 A316 A319 A320 E323A43-R47 VanDerWaalsContact O-CG 3.26Å; A43-R47 WeakPolarHBondContact O-CG 3.3Å; A43-R47 PolarHBondContact O-NH1 3.08Å; D44-R47 CarbonylContact C-O 3.36Å; D44-R47 VanDerWaalsContact CA-O 3.32Å; D44-R47 WeakPolarHBondContact CA-O 3.41Å; D44-R47 IonicContact OD1-NH1 3.89Å; N45-R47 PolarHBondContact N-O 2.78Å; N45-R47 PolarHBondContact O-N 2.68Å; R47-G49 PolarHBondContact NH1-O 3.25Å; R47-G49 VanDerWaalsContact NH1-O 3.11Å; R47-G49 PolarHBondContact NH2-O 3.17Å; R47-P50 PolarHBondContact NH2-O 3.21Å; R47-A316 WeakPolarHBondContact CD-O 3.44Å; R47-A319 VanDerWaalsContact CD-CB 3.45Å; R47-A320 HydrophobicContact CB-CB 4.28Å; R47-A320 HydrophobicContact CG-CB 4.35Å; R47-E323 IonicContact CZ-OE1 2.76Å; R47-E323 IonicContact NE-OE1 3.71Å; R47-E323 PolarHBondContact NE-OE1 3.26Å; R47-E323 IonicContact NE-OE2 3.77Å; R47-E323 PolarHBondContact NE-OE2 3.43Å; R47-E323 IonicContact NH2-OE1 2.94Å; R47-E323 PolarHBondContact NH2-OE1 3.29Å; R47-E323 IonicContact NH2-OE2 3.79Å
48K97.8Very high98Very high175 Ų17558.6 Ų58.676%0.76134%0.335SS*.  trans-156151.1174.265.2-179.5-179.71800114.6D44D44-K48 VanDerWaalsContact OD1-CA 3.23Å; D44-K48 WeakPolarHBondContact OD1-CA 3.12Å
49G97.7Very high98Very high22 Ų2258.6 Ų58.623%0.22734%0.335CS..SBendtrans82.3-169.6172.200000113.8C38 D44 R47C38-G49 CarbonylContact O-C 3.41Å; D44-G49 PolarHBondContact OD1-N 2.62Å; R47-G49 PolarHBondContact NH1-O 3.25Å; R47-G49 VanDerWaalsContact NH1-O 3.11Å; R47-G49 PolarHBondContact NH2-O 3.17Å
50P98.1Very high98Very high76 Ų7656.2 Ų56.249%0.49432%0.315SS..SBendtrans-57.6150.6-179.7-22.933.4000112.5R47 N52R47-P50 PolarHBondContact NH2-O 3.21Å; P50-N52 PolarHBondContact O-N 3.37Å
51L98.5Very high98Very high3 Ų350.7 Ų50.72%0.01629%0.291CS..  trans-62121.6177.1-178.365.6000109.8L31 I34 A35 C38 L53 A319 E323L31-L51 HydrophobicContact CD1-CD2 3.89Å; I34-L51 HydrophobicContact CG2-CD1 4.34Å; I34-L51 HydrophobicContact CG2-CD2 4.16Å; A35-L51 HydrophobicContact CB-CB 4.44Å; A35-L51 HydrophobicContact CB-CD2 3.99Å; C38-L51 HydrophobicContact CB-CB 3.98Å; L51-L53 HydrophobicContact CD1-CD1 4.37Å; L51-L53 HydrophobicContact CD1-CD2 4.39Å; L51-L53 HydrophobicContact CD1-CG 4.25Å; L51-L53 HydrophobicContact CD2-CD1 3.78Å; L51-L53 HydrophobicContact CD2-CG 4.32Å; L51-L53 HydrophobicContact CG-CD1 3.99Å; L51-L53 HydrophobicContact CG-CG 3.95Å; L51-A319 HydrophobicContact CD1-CB 3.91Å; L51-E323 HydrophobicContact CD1-CG 4.23Å
52N97.9Very high98Very high95 Ų9549.2 Ų49.251%0.50828%0.276SS..  trans-111.491.7-171.9-179.252.9000112.5P50 P54 E323P50-N52 PolarHBondContact O-N 3.37Å; N52-P54 WeakPolarHBondContact O-CD 3.38Å; N52-E323 PolarHBondContact N-OE1 2.89Å
53L98.4Very high98.1Very high3 Ų345 Ų452%0.01626%0.255CS..  trans-120.760-179.4-53.1176.4000112.7L31 L51 N55 L56 T57 L61 M76 L322 E323 D326L31-L53 HydrophobicContact CD1-CD1 4.47Å; L51-L53 HydrophobicContact CD1-CD1 4.37Å; L51-L53 HydrophobicContact CD1-CD2 4.39Å; L51-L53 HydrophobicContact CD1-CG 4.25Å; L51-L53 HydrophobicContact CD2-CD1 3.78Å; L51-L53 HydrophobicContact CD2-CG 4.32Å; L51-L53 HydrophobicContact CG-CD1 3.99Å; L51-L53 HydrophobicContact CG-CG 3.95Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3.02Å; L53-L56 HydrophobicContact CB-CB 4.23Å; L53-L56 HydrophobicContact CB-CD1 4.38Å; L53-L56 HydrophobicContact CD1-CD1 4.21Å; L53-L56 HydrophobicContact CD2-CD1 4.39Å; L53-T57 VanDerWaalsContact O-CB 3.29Å; L53-T57 WeakPolarHBondContact O-CB 3.28Å; L53-T57 PolarHBondContact O-N 3.41Å; L53-T57 PolarHBondContact O-OG1 3.35Å; L53-L61 HydrophobicContact CD1-CD2 4.09Å; L53-M76 HydrophobicContact CB-CE 4.17Å; L53-M76 HydrophobicContact CD1-CE 4.5Å; L53-L322 HydrophobicContact CD1-CB 4.34Å; L53-L322 VanDerWaalsContact CD2-C 3.46Å; L53-L322 HydrophobicContact CD2-CB 3.73Å; L53-L322 WeakPolarHBondContact CD2-O 3.43Å; L53-E323 HydrophobicContact CD2-CG 4.25Å; L53-D326 VanDerWaalsContact C-OD1 3.28Å; L53-D326 WeakPolarHBondContact CA-OD1 3.48Å; L53-D326 HydrophobicContact CB-CB 4.5Å; L53-D326 HydrophobicContact CD2-CB 3.78Å
54P98.1Very high98.1Very high60 Ų6044.9 Ų44.939%0.3926%0.255SS..Hα-helixtrans-61.5-33-17325.3-35.8000113.6N52 R58 D326N52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-R58 WeakPolarHBondContact O-CG 3.4Å; P54-R58 PolarHBondContact O-N 3.37Å; P54-R58 VanDerWaalsContact O-N 3.14Å; P54-D326 WeakPolarHBondContact CD-OD2 3.39Å
55N98.7Very high98.1Very high40 Ų4041.1 Ų41.121%0.21423%0.234CC..Hα-helixtrans-77.7-47-177.1-60-71.2000111.3L53 T57 R58 L59 D326 L329L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3.02Å; N55-T57 VanDerWaalsContact C-N 3.27Å; N55-T57 PolarHBondContact O-N 3.01Å; N55-R58 CarbonylContact O-C 3.59Å; N55-R58 WeakPolarHBondContact O-CB 3.24Å; N55-R58 PolarHBondContact O-N 3.15Å; N55-R58 VanDerWaalsContact O-N 3.11Å; N55-L59 WeakPolarHBondContact O-CG 3.3Å; N55-L59 PolarHBondContact O-N 3.01Å; N55-D326 WeakPolarHBondContact CA-OD1 3.29Å; N55-D326 WeakPolarHBondContact CB-OD1 3.46Å; N55-D326 PolarHBondContact N-OD1 3.38Å; N55-D326 VanDerWaalsContact N-OD1 3.08Å; N55-D326 PolarHBondContact N-OD2 3.36Å; N55-D326 PolarHBondContact ND2-O 3.25Å; N55-D326 PolarHBondContact ND2-OD2 2.88Å; N55-L329 HydrophobicContact CB-CB 4.3Å; N55-L329 HydrophobicContact CB-CD2 3.88Å; N55-L329 HydrophobicContact CB-CG 4.38Å
56L98.8Very high98.2Very high2 Ų238.6 Ų38.61%0.0122%0.219CC..Hα-helixtrans-61.4-37173.5-71.5169000111.4L53 R58 L59 G60 L61 D326 L329 L344 L367L53-L56 HydrophobicContact CB-CB 4.23Å; L53-L56 HydrophobicContact CB-CD1 4.38Å; L53-L56 HydrophobicContact CD1-CD1 4.21Å; L53-L56 HydrophobicContact CD2-CD1 4.39Å; L56-R58 PolarHBondContact O-N 2.93Å; L56-L59 CarbonylContact O-C 3.59Å; L56-L59 PolarHBondContact O-N 3.22Å; L56-L59 VanDerWaalsContact O-N 3.13Å; L56-G60 PolarHBondContact O-N 3.12Å; L56-G60 VanDerWaalsContact O-N 3.16Å; L56-L61 HydrophobicContact CB-CB 4.05Å; L56-L61 HydrophobicContact CB-CD2 3.72Å; L56-L61 HydrophobicContact CD1-CD2 4.09Å; L56-L61 HydrophobicContact CG-CD2 4.41Å; L56-L61 VanDerWaalsContact O-CB 3.22Å; L56-L61 WeakPolarHBondContact O-CB 3.34Å; L56-L61 PolarHBondContact O-N 2.62Å; L56-D326 WeakPolarHBondContact CB-OD1 3.44Å; L56-D326 HydrophobicContact CD1-CB 4.32Å; L56-D326 WeakPolarHBondContact CG-OD1 3.41Å; L56-D326 PolarHBondContact N-OD1 3.28Å; L56-L329 HydrophobicContact CD2-CD2 3.81Å; L56-L329 HydrophobicContact CG-CD2 3.98Å; L56-L344 HydrophobicContact CD2-CD2 4.04Å; L56-L367 HydrophobicContact CD2-CD1 3.96Å
57T98.6Very high98.4Very high11 Ų1136 Ų367%0.06719%0.192CC..Hα-helixtrans-58.1-47.9172.1-55.80000110.8L53 N55 L59 G60 A62 M76 D77 A80L53-T57 VanDerWaalsContact O-CB 3.29Å; L53-T57 WeakPolarHBondContact O-CB 3.28Å; L53-T57 PolarHBondContact O-N 3.41Å; L53-T57 PolarHBondContact O-OG1 3.35Å; N55-T57 VanDerWaalsContact C-N 3.27Å; N55-T57 PolarHBondContact O-N 3.01Å; T57-L59 VanDerWaalsContact C-N 3.27Å; T57-L59 PolarHBondContact O-N 3.19Å; T57-G60 WeakPolarHBondContact O-CA 3.43Å; T57-G60 PolarHBondContact O-N 3.06Å; T57-A62 HydrophobicContact CG2-CB 4.21Å; T57-M76 WeakPolarHBondContact OG1-CE 3.37Å; T57-D77 WeakPolarHBondContact CG2-O 3.43Å; T57-A80 HydrophobicContact CG2-CB 3.69Å
58R98.4Very high98.4Very high87 Ų8736 Ų3633%0.32820%0.196SC..Hα-helixtrans-64.9-27.8175.4-71.9176.764.675.81.8113P54 N55 L56 G60 E81 V82 I83P54-R58 WeakPolarHBondContact O-CG 3.4Å; P54-R58 PolarHBondContact O-N 3.37Å; P54-R58 VanDerWaalsContact O-N 3.14Å; N55-R58 CarbonylContact O-C 3.59Å; N55-R58 WeakPolarHBondContact O-CB 3.24Å; N55-R58 PolarHBondContact O-N 3.15Å; N55-R58 VanDerWaalsContact O-N 3.11Å; L56-R58 PolarHBondContact O-N 2.93Å; R58-G60 PolarHBondContact O-N 3.27Å; R58-E81 IonicContact CZ-OE2 3.48Å; R58-E81 IonicContact NH1-OE2 2.65Å; R58-E81 PolarHBondContact NH1-OE2 3.3Å; R58-E81 IonicContact NH2-OE2 2.89Å; R58-E81 PolarHBondContact NH2-OE2 3.49Å; R58-V82 CarbonylContact O-C 3.49Å; R58-V82 WeakPolarHBondContact O-CA 3.07Å; R58-I83 HydrophobicContact CB-CD1 4.34Å; R58-I83 HydrophobicContact CB-CG1 4.2Å; R58-I83 VanDerWaalsContact NH2-CG2 3.32Å; R58-I83 WeakPolarHBondContact O-CG1 3.36Å; R58-I83 PolarHBondContact O-N 3.06Å
59L98.6Very high98.5Very high1 Ų129.5 Ų29.51%0.00517%0.17CC..Hα-helixtrans-75.8-8172.1-65.8-169.8000113.5N55 L56 T57 I83 L329 M333 L344 L367 Y369N55-L59 WeakPolarHBondContact O-CG 3.3Å; N55-L59 PolarHBondContact O-N 3.01Å; L56-L59 CarbonylContact O-C 3.59Å; L56-L59 PolarHBondContact O-N 3.22Å; L56-L59 VanDerWaalsContact O-N 3.13Å; T57-L59 VanDerWaalsContact C-N 3.27Å; T57-L59 PolarHBondContact O-N 3.19Å; L59-I83 HydrophobicContact CD2-CD1 4.36Å; L59-I83 HydrophobicContact CD2-CG1 4.01Å; L59-L329 HydrophobicContact CD1-CD2 3.79Å; L59-M333 HydrophobicContact CD2-CE 4.17Å; L59-L344 HydrophobicContact CD1-CD1 3.54Å; L59-L367 HydrophobicContact CB-CB 4.4Å; L59-L367 HydrophobicContact CB-CD1 4.15Å; L59-Y369 HydrophobicContact CD2-CD2 3.68Å; L59-Y369 HydrophobicContact CD2-CE2 4.48Å; L59-Y369 HydrophobicContact CD2-CG 3.83Å
60G98.6Very high98.5Very high0 Ų031.1 Ų31.10%019%0.187CC..THydrogen-bonded Turntrans104.411.3175.400000114.8L56 T57 R58 A62 K63 A64L56-G60 PolarHBondContact O-N 3.12Å; L56-G60 VanDerWaalsContact O-N 3.16Å; T57-G60 WeakPolarHBondContact O-CA 3.43Å; T57-G60 PolarHBondContact O-N 3.06Å; R58-G60 PolarHBondContact O-N 3.27Å; G60-A62 PolarHBondContact O-N 3.4Å; G60-K63 CarbonylContact O-C 3.54Å; G60-K63 WeakPolarHBondContact O-CA 3.31Å; G60-K63 WeakPolarHBondContact O-CB 3.5Å; G60-K63 PolarHBondContact O-N 3.28Å; G60-A64 PolarHBondContact O-N 3.29Å
61L98.8Very high98.5Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-55.2-48-178.6-178.861.6000112.8F12 I14 L31 L53 L56 K63 A64 H65 M76 P365 L367F12-L61 HydrophobicContact CE1-CD1 4.07Å; F12-L61 HydrophobicContact CE1-CD2 3.94Å; F12-L61 HydrophobicContact CZ-CD1 4.47Å; F12-L61 HydrophobicContact CZ-CD2 3.9Å; I14-L61 HydrophobicContact CG2-CD1 4.12Å; L31-L61 HydrophobicContact CD1-CD2 4.47Å; L31-L61 HydrophobicContact CD2-CD1 3.84Å; L31-L61 HydrophobicContact CD2-CD2 4.01Å; L31-L61 HydrophobicContact CD2-CG 3.72Å; L53-L61 HydrophobicContact CD1-CD2 4.09Å; L56-L61 HydrophobicContact CB-CB 4.05Å; L56-L61 HydrophobicContact CB-CD2 3.72Å; L56-L61 HydrophobicContact CD1-CD2 4.09Å; L56-L61 HydrophobicContact CG-CD2 4.41Å; L56-L61 VanDerWaalsContact O-CB 3.22Å; L56-L61 WeakPolarHBondContact O-CB 3.34Å; L56-L61 PolarHBondContact O-N 2.62Å; L61-K63 PolarHBondContact O-N 2.91Å; L61-A64 PolarHBondContact O-N 3.05Å; L61-H65 PolarHBondContact O-N 3.46Å; L61-M76 HydrophobicContact CB-CE 4.49Å; L61-M76 HydrophobicContact CD2-CE 4.1Å; L61-M76 HydrophobicContact CG-CE 4.38Å; L61-P365 HydrophobicContact CD1-CB 3.83Å; L61-P365 HydrophobicContact CD1-CG 4.25Å; L61-L367 HydrophobicContact CB-CD1 4.01Å; L61-L367 HydrophobicContact CD1-CD1 4.34Å
62A98.5Very high98.4Very high2 Ų237.1 Ų37.12%0.01721%0.208CC..Hα-helixtrans-60.9-33177.800000112.3T57 G60 E66 I72 M76T57-A62 HydrophobicContact CG2-CB 4.21Å; G60-A62 PolarHBondContact O-N 3.4Å; A62-E66 WeakPolarHBondContact O-CB 3.23Å; A62-E66 PolarHBondContact O-N 3.42Å; A62-I72 HydrophobicContact CB-CD1 4.44Å; A62-M76 HydrophobicContact CB-CB 4.29Å; A62-M76 HydrophobicContact CB-CE 4.23Å
63K98.6Very high98.5Very high50 Ų5032.8 Ų32.822%0.21719%0.185CC..Hα-helixtrans-78.4-33.6177.3-68-55.2-162.1-170.10113.2G60 L61 E66 G67 G78 V82 Y86G60-K63 CarbonylContact O-C 3.54Å; G60-K63 WeakPolarHBondContact O-CA 3.31Å; G60-K63 WeakPolarHBondContact O-CB 3.5Å; G60-K63 PolarHBondContact O-N 3.28Å; L61-K63 PolarHBondContact O-N 2.91Å; K63-E66 WeakPolarHBondContact CD-OE2 3.41Å; K63-E66 WeakPolarHBondContact CE-OE2 3.36Å; K63-E66 IonicContact NZ-OE1 3.23Å; K63-E66 IonicContact NZ-OE2 2.61Å; K63-E66 PolarHBondContact NZ-OE2 3.37Å; K63-E66 PolarHBondContact O-N 2.83Å; K63-G67 PolarHBondContact O-N 3.29Å; K63-G78 WeakPolarHBondContact CE-O 3.44Å; K63-G78 PolarHBondContact NZ-O 3.07Å; K63-V82 HydrophobicContact CG-CG2 4.21Å; K63-Y86 HydrophobicContact CB-CD1 4.34Å; K63-Y86 HydrophobicContact CB-CD2 3.79Å; K63-Y86 HydrophobicContact CB-CE1 3.94Å; K63-Y86 HydrophobicContact CB-CE2 3.35Å; K63-Y86 HydrophobicContact CB-CG 4.27Å; K63-Y86 VanDerWaalsContact CB-CZ 3.42Å; K63-Y86 HydrophobicContact CG-CE1 4.34Å; K63-Y86 HydrophobicContact CG-CE2 4.41Å
64A98.7Very high98.4Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-63-47.1171.400000110.4I14 G60 L61 G67 S68 Y86 A87 L367I14-A64 HydrophobicContact CD1-CB 3.88Å; G60-A64 PolarHBondContact O-N 3.29Å; L61-A64 PolarHBondContact O-N 3.05Å; A64-G67 PolarHBondContact O-N 2.92Å; A64-S68 PolarHBondContact O-N 3.01Å; A64-Y86 HydrophobicContact CB-CD2 4.39Å; A64-A87 WeakPolarHBondContact CB-O 3.3Å; A64-L367 HydrophobicContact CB-CD2 4.39Å
65H98.8Very high98.3Very high4 Ų434.2 Ų34.22%0.01921%0.208CC..Hα-helixtrans-60.9-44.8173.7-178.2-80.6000112.3I14 D29 L31 G32 L61 G67 S68 T69 F71 P73I14-H65 HydrophobicContact CB-CB 4.42Å; D29-H65 IonicContact OD1-CD2 2.93Å; D29-H65 IonicContact OD1-NE2 2.68Å; D29-H65 PolarHBondContact OD1-NE2 3.46Å; D29-H65 VanDerWaalsContact OD1-NE2 3.15Å; D29-H65 IonicContact OD2-CE1 3.95Å; D29-H65 IonicContact OD2-NE2 3.68Å; D29-H65 PolarHBondContact OD2-NE2 3.31Å; L31-H65 HydrophobicContact CD2-CB 3.99Å; G32-H65 WeakPolarHBondContact CA-NE2 3.39Å; G32-H65 PolarHBondContact N-NE2 2.96Å; L61-H65 PolarHBondContact O-N 3.46Å; H65-G67 PolarHBondContact O-N 3.45Å; H65-S68 PolarHBondContact O-N 3.49Å; H65-S68 VanDerWaalsContact O-N 3.09Å; H65-T69 PolarHBondContact CE1-OG1 2.76Å; H65-T69 PolarHBondContact ND1-OG1 3.01Å; H65-T69 VanDerWaalsContact ND1-OG1 3.14Å; H65-T69 PolarHBondContact O-N 3.37Å; H65-T69 PolarHBondContact O-OG1 3.33Å; H65-F71 PolarHBondContact CE1-O 2.96Å; H65-F71 PolarHBondContact ND1-O 3.05Å; H65-P73 HydrophobicContact CB-CG 3.89Å; H65-P73 VanDerWaalsContact CG-CG 3.49Å; H65-P73 WeakPolarHBondContact ND1-CD 3.26Å; H65-P73 WeakPolarHBondContact ND1-CG 3.21Å
66E98.6Very high98.2Very high71 Ų7133.1 Ų33.133%0.33220%0.202SC..Hα-helixtrans-56.7-39174.1-173177.8-147.900112.3A62 K63 G70 F71 I72A62-E66 WeakPolarHBondContact O-CB 3.23Å; A62-E66 PolarHBondContact O-N 3.42Å; K63-E66 WeakPolarHBondContact CD-OE2 3.41Å; K63-E66 WeakPolarHBondContact CE-OE2 3.36Å; K63-E66 IonicContact NZ-OE1 3.23Å; K63-E66 IonicContact NZ-OE2 2.61Å; K63-E66 PolarHBondContact NZ-OE2 3.37Å; K63-E66 PolarHBondContact O-N 2.83Å; E66-G70 WeakPolarHBondContact O-CA 3.18Å; E66-G70 PolarHBondContact O-N 3.07Å; E66-F71 VanDerWaalsContact CA-O 3.27Å; E66-F71 WeakPolarHBondContact CA-O 3.36Å; E66-F71 PolarHBondContact N-O 3.21Å; E66-I72 HydrophobicContact CB-CD1 3.81Å; E66-I72 HydrophobicContact CG-CD1 4.06Å
67G98.4Very high98.1Very high32 Ų3237.4 Ų37.433%0.3322%0.224SC..Hα-helixtrans-66.7-37.5175.300000113.8K63 A64 H65 W88K63-G67 PolarHBondContact O-N 3.29Å; A64-G67 PolarHBondContact O-N 2.92Å; H65-G67 PolarHBondContact O-N 3.45Å; G67-W88 VanDerWaalsContact C-CE2 3.44Å; G67-W88 WeakPolarHBondContact O-CZ2 3.4Å
68S98.5Very high97.8Very high23 Ų2337.3 Ų37.316%0.16123%0.225CC..Hα-helixtrans-73.1-49.4178.6175.30000112.4I14 A64 H65 H363I14-S68 WeakPolarHBondContact O-CB 3.45Å; I14-S68 PolarHBondContact O-OG 3.16Å; A64-S68 PolarHBondContact O-N 3.01Å; H65-S68 PolarHBondContact O-N 3.49Å; H65-S68 VanDerWaalsContact O-N 3.09Å; S68-H363 PolarHBondContact OG-ND1 3.16Å
69T98.2Very high97.7Very high37 Ų3740.2 Ų40.223%0.22725%0.248CC..Hα-helixtrans-108.4-16.4-167.666.30000114.1I14 H65 F71I14-T69 WeakPolarHBondContact O-CG2 3.38Å; H65-T69 PolarHBondContact CE1-OG1 2.76Å; H65-T69 PolarHBondContact ND1-OG1 3.01Å; H65-T69 VanDerWaalsContact ND1-OG1 3.14Å; H65-T69 PolarHBondContact O-N 3.37Å; H65-T69 PolarHBondContact O-OG1 3.33Å; T69-F71 VanDerWaalsContact C-N 3.29Å; T69-F71 WeakPolarHBondContact O-CD2 3.49Å; T69-F71 WeakPolarHBondContact O-CE2 3.36Å; T69-F71 PolarHBondContact OG1-N 2.94Å; T69-F71 PolarHBondContact OG1-O 2.87Å
70G98Very high97.5Very high56 Ų5641.2 Ų41.258%0.57726%0.256SS*.SBendtrans80.72.9-170.500000114.6E66E66-G70 WeakPolarHBondContact O-CA 3.18Å; E66-G70 PolarHBondContact O-N 3.07Å
71F97.8Very high97.5Very high150 Ų15047.2 Ų47.266%0.65828%0.284SS*.SBendtrans-126.9150.7-177.7-58.6-79.6000112.4H65 E66 T69H65-F71 PolarHBondContact CE1-O 2.96Å; H65-F71 PolarHBondContact ND1-O 3.05Å; E66-F71 VanDerWaalsContact CA-O 3.27Å; E66-F71 WeakPolarHBondContact CA-O 3.36Å; E66-F71 PolarHBondContact N-O 3.21Å; T69-F71 VanDerWaalsContact C-N 3.29Å; T69-F71 WeakPolarHBondContact O-CD2 3.49Å; T69-F71 WeakPolarHBondContact O-CE2 3.36Å; T69-F71 PolarHBondContact OG1-N 2.94Å; T69-F71 PolarHBondContact OG1-O 2.87Å
72I98.2Very high97.5Very high55 Ų5549 Ų4928%0.28230%0.295SS..PPolyproline II helixtrans-84.3131.5167.2-63.7-68.6000108.5A62 E66 M76A62-I72 HydrophobicContact CB-CD1 4.44Å; E66-I72 HydrophobicContact CB-CD1 3.81Å; E66-I72 HydrophobicContact CG-CD1 4.06Å; I72-M76 HydrophobicContact CG2-CB 4.48Å; I72-M76 WeakPolarHBondContact CG2-O 3.46Å
73P98.2Very high97.5Very high4 Ų450.7 Ų50.73%0.02630%0.303CS..PPolyproline II helixtrans-57.2144.3177.7-21.329.8000112.3L31 A35 H65 G75 M76L31-P73 HydrophobicContact CD2-CG 3.88Å; L31-P73 HydrophobicContact CG-CB 4.32Å; L31-P73 HydrophobicContact CG-CG 3.98Å; A35-P73 HydrophobicContact CB-CB 3.77Å; H65-P73 HydrophobicContact CB-CG 3.89Å; H65-P73 VanDerWaalsContact CG-CG 3.49Å; H65-P73 WeakPolarHBondContact ND1-CD 3.26Å; H65-P73 WeakPolarHBondContact ND1-CG 3.21Å; P73-G75 PolarHBondContact O-N 2.74Å; P73-M76 HydrophobicContact CB-CB 4.38Å; P73-M76 HydrophobicContact CB-CG 4.02Å; P73-M76 HydrophobicContact CB-SD 3.66Å; P73-M76 HydrophobicContact CG-SD 3.72Å; P73-M76 PolarHBondContact O-N 2.86Å; P73-M76 VanDerWaalsContact O-N 3.1Å
74A98Very high97.4Very high35 Ų3548.3 Ų48.329%0.28929%0.293SS..THydrogen-bonded Turntrans-58.9126.9-176.300000112.2A35 A39 M76A35-A74 HydrophobicContact CB-CB 4.43Å; A35-A74 WeakPolarHBondContact CB-O 3.28Å; A39-A74 HydrophobicContact CB-CB 3.86Å; A74-M76 VanDerWaalsContact C-N 3.3Å; A74-M76 PolarHBondContact O-N 3.25Å
75G94.7Very high97.4Very high58 Ų5848.4 Ų48.460%0.59829%0.293SS*.THydrogen-bonded Turntrans83.4-7.1179.900000115.6P73P73-G75 PolarHBondContact O-N 2.74Å
76M97.5Very high97.5Very high18 Ų1849.9 Ų49.99%0.08930%0.299CS..  trans-87.8147.1174.8-61.8-171.475.100111.9L31 L53 T57 L61 A62 I72 P73 A74 G78L31-M76 HydrophobicContact CD1-SD 4.14Å; L53-M76 HydrophobicContact CB-CE 4.17Å; L53-M76 HydrophobicContact CD1-CE 4.5Å; T57-M76 WeakPolarHBondContact OG1-CE 3.37Å; L61-M76 HydrophobicContact CB-CE 4.49Å; L61-M76 HydrophobicContact CD2-CE 4.1Å; L61-M76 HydrophobicContact CG-CE 4.38Å; A62-M76 HydrophobicContact CB-CB 4.29Å; A62-M76 HydrophobicContact CB-CE 4.23Å; I72-M76 HydrophobicContact CG2-CB 4.48Å; I72-M76 WeakPolarHBondContact CG2-O 3.46Å; P73-M76 HydrophobicContact CB-CB 4.38Å; P73-M76 HydrophobicContact CB-CG 4.02Å; P73-M76 HydrophobicContact CB-SD 3.66Å; P73-M76 HydrophobicContact CG-SD 3.72Å; P73-M76 PolarHBondContact O-N 2.86Å; P73-M76 VanDerWaalsContact O-N 3.1Å; A74-M76 VanDerWaalsContact C-N 3.3Å; A74-M76 PolarHBondContact O-N 3.25Å; M76-G78 PolarHBondContact O-N 2.86Å
77D96.1Very high97.5Very high91 Ų9146.5 Ų46.549%0.48728%0.284SS..  trans-86.899.2178.8-178.49.2000111.5T57 N79 A80T57-D77 WeakPolarHBondContact CG2-O 3.43Å; D77-N79 PolarHBondContact O-N 3.36Å; D77-N79 VanDerWaalsContact O-N 3.16Å; D77-N79 WeakPolarHBondContact OD1-CA 3.49Å; D77-N79 PolarHBondContact OD1-N 3.17Å; D77-A80 HydrophobicContact CB-CB 4.25Å; D77-A80 WeakPolarHBondContact O-CB 3.43Å; D77-A80 PolarHBondContact O-N 2.86Å; D77-A80 PolarHBondContact OD1-N 2.87Å
78G93.3Very high97.5Very high9 Ų946.9 Ų46.99%0.09328%0.275CS..THydrogen-bonded Turntrans-67-6.6175.800000115.5K63 M76K63-G78 WeakPolarHBondContact CE-O 3.44Å; K63-G78 PolarHBondContact NZ-O 3.07Å; M76-G78 PolarHBondContact O-N 2.86Å
79N95.4Very high97.5Very high149 Ų14945.9 Ų45.980%0.79727%0.268SS*.THydrogen-bonded Turntrans-111.37.4177.6-61.2-58.6000113D77D77-N79 PolarHBondContact O-N 3.36Å; D77-N79 VanDerWaalsContact O-N 3.16Å; D77-N79 WeakPolarHBondContact OD1-CA 3.49Å; D77-N79 PolarHBondContact OD1-N 3.17Å
80A95Very high97.4Very high22 Ų2245.5 Ų45.518%0.18226%0.263CS..SBendtrans-57.2145.3176.400000111.2T57 D77 V82T57-A80 HydrophobicContact CG2-CB 3.69Å; D77-A80 HydrophobicContact CB-CB 4.25Å; D77-A80 WeakPolarHBondContact O-CB 3.43Å; D77-A80 PolarHBondContact O-N 2.86Å; D77-A80 PolarHBondContact OD1-N 2.87Å; A80-V82 PolarHBondContact O-N 2.96Å; A80-V82 VanDerWaalsContact O-N 3.13Å
81E97.7Very high97.4Very high125 Ų12542.9 Ų42.958%0.58424%0.236SC*.PPolyproline II helixtrans-59.8117.8171.5179.2-164.1-153.900109.9R58 I83R58-E81 IonicContact CZ-OE2 3.48Å; R58-E81 IonicContact NH1-OE2 2.65Å; R58-E81 PolarHBondContact NH1-OE2 3.3Å; R58-E81 IonicContact NH2-OE2 2.89Å; R58-E81 PolarHBondContact NH2-OE2 3.49Å; E81-I83 HydrophobicContact CG-CG2 4.25Å
82V98.4Very high97.3Very high38 Ų3839 Ų3923%0.2322%0.221CC..PPolyproline II helixtrans-85122.1176.2177.30000110.1R58 K63 A80 G84 Y86R58-V82 CarbonylContact O-C 3.49Å; R58-V82 WeakPolarHBondContact O-CA 3.07Å; K63-V82 HydrophobicContact CG-CG2 4.21Å; A80-V82 PolarHBondContact O-N 2.96Å; A80-V82 VanDerWaalsContact O-N 3.13Å; V82-G84 WeakPolarHBondContact CG1-O 3.4Å; V82-Y86 HydrophobicContact CG1-CD1 3.82Å; V82-Y86 HydrophobicContact CG1-CE1 3.9Å; V82-Y86 HydrophobicContact CG2-CE1 4.4Å
83I98.3Very high97.2Very high38 Ų3836.4 Ų36.420%0.19521%0.208CC..  trans-111.8-7.1177.768.7174.3000113.2R58 L59 E81 M333 Y369 P375R58-I83 HydrophobicContact CB-CD1 4.34Å; R58-I83 HydrophobicContact CB-CG1 4.2Å; R58-I83 VanDerWaalsContact NH2-CG2 3.32Å; R58-I83 WeakPolarHBondContact O-CG1 3.36Å; R58-I83 PolarHBondContact O-N 3.06Å; L59-I83 HydrophobicContact CD2-CD1 4.36Å; L59-I83 HydrophobicContact CD2-CG1 4.01Å; E81-I83 HydrophobicContact CG-CG2 4.25Å; I83-M333 HydrophobicContact CD1-CE 3.83Å; I83-Y369 HydrophobicContact CD1-CE2 4Å; I83-Y369 HydrophobicContact CG1-CD2 4.4Å; I83-Y369 HydrophobicContact CG1-CE2 4.14Å; I83-P375 WeakPolarHBondContact O-CG 3.43Å
84G98.5Very high96.9Very high0 Ų037.2 Ų37.20%021%0.213CC..SBendtrans-104.9166.4174.400000112.4V82 V368 P375 G376V82-G84 WeakPolarHBondContact CG1-O 3.4Å; G84-V368 CarbonylContact C-O 3.58Å; G84-V368 WeakPolarHBondContact CA-O 3.47Å; G84-P375 VanDerWaalsContact O-CA 3.25Å; G84-P375 WeakPolarHBondContact O-CA 3.14Å; G84-G376 PolarHBondContact O-N 3.16Å
85A98.8Very high96.4Very high1 Ų136.2 Ų36.21%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-88.9140.7160.700000108.8L367 V368 V373 G376 L378A85-L367 CarbonylContact O-C 3.54Å; A85-L367 WeakPolarHBondContact O-CA 3.33Å; A85-V368 HydrophobicContact CB-CB 4.32Å; A85-V368 PolarHBondContact N-O 2.81Å; A85-V368 PolarHBondContact O-N 2.87Å; A85-V373 HydrophobicContact CB-CG1 3.77Å; A85-G376 CarbonylContact C-O 3.53Å; A85-G376 WeakPolarHBondContact CA-O 3.49Å; A85-L378 HydrophobicContact CB-CD1 3.73Å; A85-L378 HydrophobicContact CB-CD2 4.19Å; A85-L378 HydrophobicContact CB-CG 3.88Å
86Y98.8Very high96.2Very high36 Ų3634.7 Ų34.714%0.14118%0.183CC..EExtended strand (participates in β ladder)trans-137.2144.8-174.863.9-91.3000112.6K63 A64 V82 V366 G376 S377 L378K63-Y86 HydrophobicContact CB-CD1 4.34Å; K63-Y86 HydrophobicContact CB-CD2 3.79Å; K63-Y86 HydrophobicContact CB-CE1 3.94Å; K63-Y86 HydrophobicContact CB-CE2 3.35Å; K63-Y86 HydrophobicContact CB-CG 4.27Å; K63-Y86 VanDerWaalsContact CB-CZ 3.42Å; K63-Y86 HydrophobicContact CG-CE1 4.34Å; K63-Y86 HydrophobicContact CG-CE2 4.41Å; A64-Y86 HydrophobicContact CB-CD2 4.39Å; V82-Y86 HydrophobicContact CG1-CD1 3.82Å; V82-Y86 HydrophobicContact CG1-CE1 3.9Å; V82-Y86 HydrophobicContact CG2-CE1 4.4Å; Y86-V366 CarbonylContact C-O 3.59Å; Y86-V366 VanDerWaalsContact CA-O 3.31Å; Y86-V366 WeakPolarHBondContact CA-O 3.39Å; Y86-G376 WeakPolarHBondContact CD1-O 3.27Å; Y86-G376 VanDerWaalsContact CE1-C 3.47Å; Y86-G376 PolarHBondContact N-O 3.16Å; Y86-S377 CarbonylContact O-C 3.59Å; Y86-L378 PolarHBondContact O-N 3.16Å
87A98.8Very high95.8Very high0 Ų035.2 Ų35.20%019%0.187CC..EExtended strand (participates in β ladder)trans-143165.1175.900000109.4A64 V366 L378 G379 R381A64-A87 WeakPolarHBondContact CB-O 3.3Å; A87-V366 HydrophobicContact CB-CB 3.89Å; A87-V366 PolarHBondContact N-O 2.99Å; A87-V366 PolarHBondContact O-N 2.91Å; A87-L378 HydrophobicContact CB-CB 3.85Å; A87-G379 WeakPolarHBondContact CA-O 3.29Å; A87-G379 VanDerWaalsContact CB-O 3.28Å; A87-G379 WeakPolarHBondContact CB-O 3.37Å; A87-R381 HydrophobicContact CB-CG 3.57Å
88W98.7Very high95.6Very high40 Ų4032.3 Ų32.315%0.15217%0.172CC..EExtended strand (participates in β ladder)trans-120.1128.8162.159.6103.4000106.3I14 G67 H363 I364 H380 R381I14-W88 HydrophobicContact CD1-CB 3.62Å; G67-W88 VanDerWaalsContact C-CE2 3.44Å; G67-W88 WeakPolarHBondContact O-CZ2 3.4Å; W88-H363 HydrophobicContact CB-CB 4.23Å; W88-H363 AromaticContact CD1-CD2 3.89Å; W88-I364 WeakPolarHBondContact CA-O 3.33Å; W88-H380 AromaticContact CD1-CD2 3.59Å; W88-H380 HydrophobicContact CZ2-CB 3.68Å; W88-H380 AromaticContact NE1-CD2 3.46Å; W88-H380 PolarHBondContact NE1-CD2 3.04Å; W88-H380 AromaticContact NE1-CG 3.64Å; W88-R381 PolarHBondContact O-N 2.97Å
89A98.7Very high95.6Very high1 Ų132.7 Ų32.71%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-113.1138.1-174.500000110.5H363 I364 V366 R381 F384A89-H363 CarbonylContact O-C 3.58Å; A89-H363 WeakPolarHBondContact O-CA 3.29Å; A89-H363 WeakPolarHBondContact O-CB 3.46Å; A89-I364 HydrophobicContact CB-CD1 4.38Å; A89-I364 HydrophobicContact CB-CG1 3.89Å; A89-I364 PolarHBondContact N-O 3.44Å; A89-I364 PolarHBondContact O-N 2.73Å; A89-V366 HydrophobicContact CB-CG2 3.7Å; A89-R381 CarbonylContact C-O 3.51Å; A89-R381 WeakPolarHBondContact CA-O 3.34Å; A89-R381 HydrophobicContact CB-CB 3.76Å; A89-R381 HydrophobicContact CB-CG 4.32Å; A89-F384 HydrophobicContact CB-CD1 3.71Å; A89-F384 HydrophobicContact CB-CE1 4.17Å; A89-F384 VanDerWaalsContact O-CE1 3.31Å; A89-F384 WeakPolarHBondContact O-CE1 3.5Å
90H97.4Very high95.6Very high29 Ų2925.6 Ų25.613%0.13414%0.135CC..  trans-87.5146.7172.1172.7-81.2000109.4E18 D19 R381 E382 T383 F384E18-H90 IonicContact OE2-CD2 2.62Å; D19-H90 IonicContact OD1-NE2 3.93Å; H90-R381 PolarHBondContact N-O 2.84Å; H90-E382 PolarHBondContact ND1-O 3.24Å; H90-T383 CarbonylContact O-C 3.57Å; H90-T383 VanDerWaalsContact O-C 3.32Å; H90-T383 WeakPolarHBondContact O-CA 3.26Å; H90-T383 PolarHBondContact O-N 2.61Å; H90-F384 WeakPolarHBondContact O-CD1 3.49Å; H90-F384 WeakPolarHBondContact O-CE1 3.48Å; H90-F384 PolarHBondContact O-N 3.03Å
91E96.9Very high95.7Very high1 Ų124.5 Ų24.51%0.00513%0.126CC..  trans-88.3123.1176.7-169.3174.3-170.800110.2S100 G101 E104 R361 F384E91-S100 WeakPolarHBondContact OE1-CB 3.1Å; E91-G101 PolarHBondContact OE1-N 3.5Å; E91-E104 WeakPolarHBondContact CG-OE2 3.43Å; E91-R361 VanDerWaalsContact CG-NH1 3.34Å; E91-R361 PolarHBondContact O-NH2 3.08Å; E91-R361 IonicContact OE1-NH1 3.07Å; E91-R361 IonicContact OE2-CZ 2.91Å; E91-R361 IonicContact OE2-NH1 3.64Å; E91-R361 PolarHBondContact OE2-NH1 3.29Å; E91-F384 HydrophobicContact CB-CD1 4.48Å; E91-F384 HydrophobicContact CB-CD2 4.39Å; E91-F384 HydrophobicContact CB-CE1 3.78Å; E91-F384 HydrophobicContact CB-CE2 3.69Å; E91-F384 HydrophobicContact CB-CZ 3.37Å; E91-F384 HydrophobicContact CG-CD2 4.13Å; E91-F384 HydrophobicContact CG-CE2 3.6Å; E91-F384 HydrophobicContact CG-CZ 3.87Å
92M96Very high95.7Very high70 Ų7018.6 Ų18.635%0.34510%0.098SC..  trans-78.8-28.7175.3-172.7-179.1-58.800112.1E104 P109 L111 T383 Y402M92-E104 WeakPolarHBondContact CB-OE1 3.35Å; M92-E104 VanDerWaalsContact N-CD 3.27Å; M92-E104 PolarHBondContact N-OE1 2.93Å; M92-E104 PolarHBondContact N-OE2 2.79Å; M92-P109 HydrophobicContact CB-CB 4.25Å; M92-P109 HydrophobicContact CG-CB 4.47Å; M92-P109 HydrophobicContact SD-CB 4.42Å; M92-P109 HydrophobicContact SD-CG 4.11Å; M92-L111 HydrophobicContact CG-CD2 4.03Å; M92-L111 HydrophobicContact SD-CD2 4.29Å; M92-T383 HydrophobicContact CE-CG2 4.06Å; M92-Y402 HydrophobicContact CE-CD1 4.33Å; M92-Y402 HydrophobicContact SD-CD1 3.77Å; M92-Y402 HydrophobicContact SD-CE1 4.13Å
93S95.5Very high95.7Very high0 Ų017 Ų170%09%0.088CC..SBendtrans-59.7149.3-178.1-58.40000112E104 P109 V110 R361S93-E104 WeakPolarHBondContact CB-OE2 3.46Å; S93-E104 PolarHBondContact N-OE2 3.41Å; S93-E104 PolarHBondContact OG-OE2 2.92Å; S93-P109 WeakPolarHBondContact OG-CA 3.46Å; S93-V110 CarbonylContact C-O 3.53Å; S93-V110 VanDerWaalsContact CA-O 3.23Å; S93-V110 WeakPolarHBondContact CA-O 3.37Å; S93-V110 WeakPolarHBondContact CB-O 3.46Å; S93-V110 PolarHBondContact OG-N 3.46Å; S93-R361 PolarHBondContact O-NH1 2.99Å; S93-R361 VanDerWaalsContact O-NH1 3.11Å; S93-R361 PolarHBondContact O-NH2 3.07Å
94S91.4Very high95.7Very high20 Ų2015.1 Ų15.114%0.148%0.079CC..SBendtrans-79-24.1-172.472.50000113.5F23 V110 F112 E113F23-S94 WeakPolarHBondContact CE1-O 3.35Å; F23-S94 VanDerWaalsContact CZ-O 3.23Å; F23-S94 WeakPolarHBondContact CZ-O 3.42Å; S94-V110 PolarHBondContact N-O 2.96Å; S94-F112 PolarHBondContact OG-O 3.35Å; S94-E113 WeakPolarHBondContact CB-OE1 3.26Å; S94-E113 PolarHBondContact OG-OE1 3.25Å
95G88.4Confident95.7Very high14 Ų1415.2 Ų15.214%0.1448%0.079CC..SBendtrans-93.8-176.6170.900000113R361G95-R361 PolarHBondContact O-NH1 3.19Å
96K90.9Very high95.7Very high26 Ų2615.2 Ų15.211%0.1138%0.079CC..  trans-130.523.1173.659176.5174.8178.40111.5F23 D25 H359F23-K96 HydrophobicContact CD1-CD 4.05Å; F23-K96 HydrophobicContact CD1-CG 4.3Å; F23-K96 HydrophobicContact CE1-CG 4.48Å; F23-K96 HydrophobicContact CG-CD 4.45Å; D25-K96 IonicContact OD1-NZ 3.89Å; D25-K96 IonicContact OD2-NZ 3.96Å; D25-K96 PolarHBondContact OD2-NZ 3.26Å; K96-H359 HydrophobicContact CD-CB 4.05Å; K96-H359 VanDerWaalsContact CE-O 3.28Å; K96-H359 WeakPolarHBondContact CE-O 3.13Å; K96-H359 HydrophobicContact CG-CB 4.16Å; K96-H359 PolarHBondContact NZ-O 3.48Å; K96-H359 PolarHBondContact O-ND1 2.64Å
97D89.3Confident95.7Very high30 Ų3013.6 Ų13.616%0.167%0.073CC..SBendtrans-91157.1-176.763.8-55.9000112.1P99 S100 G101 W114D97-P99 VanDerWaalsContact OD2-CD 3.27Å; D97-P99 WeakPolarHBondContact OD2-CD 3.37Å; D97-S100 WeakPolarHBondContact O-CB 3.27Å; D97-S100 PolarHBondContact O-N 3.38Å; D97-S100 VanDerWaalsContact OD1-CB 3.25Å; D97-S100 WeakPolarHBondContact OD1-CB 3.43Å; D97-S100 PolarHBondContact OD1-OG 3Å; D97-G101 PolarHBondContact O-N 2.85Å; D97-W114 PolarHBondContact OD2-NE1 3.49Å
98T91.5Very high95.7Very high29 Ų2914 Ų1418%0.1788%0.076CC..Hα-helixtrans-49.7-46.8-176.3-53.30000114.2S100 H102 I263 D347T98-S100 PolarHBondContact O-N 3.42Å; T98-H102 WeakPolarHBondContact O-CB 3.48Å; T98-H102 PolarHBondContact O-CD2 3.1Å; T98-H102 VanDerWaalsContact O-CD2 3.27Å; T98-H102 PolarHBondContact O-N 3.08Å; T98-I263 HydrophobicContact CG2-CD1 3.64Å; T98-I263 HydrophobicContact CG2-CG1 3.95Å; T98-I263 HydrophobicContact CG2-CG2 4.46Å; T98-D347 WeakPolarHBondContact CA-OD2 3.41Å
99P93.7Very high95.6Very high17 Ų1712.3 Ų12.311%0.117%0.07CC..Hα-helixtrans-56.2-46.1173.3-26.733.9000114.6D97 H102 W103 W114D97-P99 VanDerWaalsContact OD2-CD 3.27Å; D97-P99 WeakPolarHBondContact OD2-CD 3.37Å; P99-H102 PolarHBondContact O-N 2.96Å; P99-W103 HydrophobicContact CB-CD2 4.35Å; P99-W103 HydrophobicContact CB-CZ2 4.14Å; P99-W103 VanDerWaalsContact O-CB 3.26Å; P99-W103 WeakPolarHBondContact O-CB 3.5Å; P99-W103 PolarHBondContact O-N 3.2Å; P99-W114 HydrophobicContact CB-CZ2 4.1Å
100S94.7Very high95.4Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-57.8-53.4-178.5-66.90000111.3E91 D97 T98 E104E91-S100 WeakPolarHBondContact OE1-CB 3.1Å; D97-S100 WeakPolarHBondContact O-CB 3.27Å; D97-S100 PolarHBondContact O-N 3.38Å; D97-S100 VanDerWaalsContact OD1-CB 3.25Å; D97-S100 WeakPolarHBondContact OD1-CB 3.43Å; D97-S100 PolarHBondContact OD1-OG 3Å; T98-S100 PolarHBondContact O-N 3.42Å; S100-E104 VanDerWaalsContact O-CB 3.27Å; S100-E104 WeakPolarHBondContact O-CB 3.41Å; S100-E104 PolarHBondContact O-N 2.69Å
101G97.1Very high95.3Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-61.5-48.8178.700000112.9E91 D97 E104 I105 D347E91-G101 PolarHBondContact OE1-N 3.5Å; D97-G101 PolarHBondContact O-N 2.85Å; G101-E104 PolarHBondContact O-N 2.7Å; G101-I105 VanDerWaalsContact O-CG1 3.24Å; G101-I105 WeakPolarHBondContact O-CG1 3.25Å; G101-I105 PolarHBondContact O-N 3.21Å; G101-D347 VanDerWaalsContact CA-O 3.29Å; G101-D347 WeakPolarHBondContact CA-O 3.26Å
102H98.2Very high95Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-64.6-48.4-179.4-86.9-87.9000112.8T98 P99 E104 I105 A106 I260 I263 Y264 F299 D347T98-H102 WeakPolarHBondContact O-CB 3.48Å; T98-H102 PolarHBondContact O-CD2 3.1Å; T98-H102 VanDerWaalsContact O-CD2 3.27Å; T98-H102 PolarHBondContact O-N 3.08Å; P99-H102 PolarHBondContact O-N 2.96Å; H102-E104 PolarHBondContact O-N 3.34Å; H102-I105 WeakPolarHBondContact O-CB 3.33Å; H102-I105 PolarHBondContact O-N 2.77Å; H102-A106 PolarHBondContact O-N 2.99Å; H102-A106 VanDerWaalsContact O-N 3.09Å; H102-I260 WeakPolarHBondContact CE1-CD1 3.49Å; H102-I263 HydrophobicContact CB-CG2 3.51Å; H102-Y264 HydrophobicContact CB-CE2 4.2Å; H102-Y264 PolarHBondContact O-OH 2.91Å; H102-F299 AromaticContact ND1-CE2 3.97Å; H102-F299 AromaticContact ND1-CZ 3.84Å; H102-D347 IonicContact CD2-OD2 3.48Å; H102-D347 PolarHBondContact CD2-OD2 3.17Å; H102-D347 IonicContact NE2-OD2 3.89Å
103W98.3Very high94.6Very high4 Ų420.6 Ų20.62%0.01511%0.11CC..Hα-helixtrans-63.9-36.6-178.7-62.7-2.5000111P99 A106 G107 V108 V110 F112 W114 V235 P237 I263 Y264P99-W103 HydrophobicContact CB-CD2 4.35Å; P99-W103 HydrophobicContact CB-CZ2 4.14Å; P99-W103 VanDerWaalsContact O-CB 3.26Å; P99-W103 WeakPolarHBondContact O-CB 3.5Å; P99-W103 PolarHBondContact O-N 3.2Å; W103-A106 CarbonylContact O-C 3.58Å; W103-A106 WeakPolarHBondContact O-CA 3.37Å; W103-A106 PolarHBondContact O-N 2.9Å; W103-A106 VanDerWaalsContact O-N 3.14Å; W103-G107 PolarHBondContact O-N 3.22Å; W103-V108 CarbonylContact C-O 3.57Å; W103-V108 VanDerWaalsContact CB-O 3.29Å; W103-V108 WeakPolarHBondContact CB-O 3.23Å; W103-V108 CarbonylContact O-C 3.49Å; W103-V108 WeakPolarHBondContact O-CA 3.24Å; W103-V108 PolarHBondContact O-N 2.82Å; W103-V110 HydrophobicContact CD2-CG2 4.35Å; W103-V110 HydrophobicContact CE3-CG2 3.44Å; W103-V110 VanDerWaalsContact CE3-CG2 3.44Å; W103-V110 HydrophobicContact CZ3-CG2 4Å; W103-F112 HydrophobicContact CZ3-CZ 4.31Å; W103-W114 AromaticContact CH2-CH2 3.73Å; W103-W114 HydrophobicContact CH2-CH2 3.73Å; W103-W114 HydrophobicContact CH2-CZ2 4.07Å; W103-W114 AromaticContact CZ3-CH2 3.92Å; W103-W114 HydrophobicContact CZ3-CH2 3.92Å; W103-W114 HydrophobicContact CZ3-CZ2 4.06Å; W103-V235 HydrophobicContact CH2-CB 4.43Å; W103-V235 HydrophobicContact CH2-CG1 4.25Å; W103-V235 WeakPolarHBondContact CH2-O 3.42Å; W103-V235 VanDerWaalsContact CZ2-O 3.28Å; W103-V235 WeakPolarHBondContact CZ2-O 3.32Å; W103-P237 HydrophobicContact CD2-CB 4.18Å; W103-P237 HydrophobicContact CD2-CG 4.15Å; W103-P237 HydrophobicContact CE3-CB 4.44Å; W103-P237 HydrophobicContact CG-CB 4.38Å; W103-P237 HydrophobicContact CG-CG 4.28Å; W103-P237 HydrophobicContact CZ2-CG 4.39Å; W103-I263 PolarHBondContact NE1-O 2.92Å; W103-Y264 AromaticContact CD1-CD1 3.64Å; W103-Y264 AromaticContact CD1-CE1 3.67Å
104E98.6Very high94.3Very high0 Ų021.5 Ų21.50%011%0.113CC..Hα-helixtrans-64.5-44.6173.4-164.7176.3149.800112.2E91 M92 S93 S100 G101 H102 A106 G107 V108 P109 T383 F384 A385E91-E104 WeakPolarHBondContact CG-OE2 3.43Å; M92-E104 WeakPolarHBondContact CB-OE1 3.35Å; M92-E104 VanDerWaalsContact N-CD 3.27Å; M92-E104 PolarHBondContact N-OE1 2.93Å; M92-E104 PolarHBondContact N-OE2 2.79Å; S93-E104 WeakPolarHBondContact CB-OE2 3.46Å; S93-E104 PolarHBondContact N-OE2 3.41Å; S93-E104 PolarHBondContact OG-OE2 2.92Å; S100-E104 VanDerWaalsContact O-CB 3.27Å; S100-E104 WeakPolarHBondContact O-CB 3.41Å; S100-E104 PolarHBondContact O-N 2.69Å; G101-E104 PolarHBondContact O-N 2.7Å; H102-E104 PolarHBondContact O-N 3.34Å; E104-A106 PolarHBondContact O-N 3.05Å; E104-A106 VanDerWaalsContact O-N 3.13Å; E104-G107 WeakPolarHBondContact O-CA 3.44Å; E104-G107 PolarHBondContact O-N 3.11Å; E104-V108 PolarHBondContact N-O 3.27Å; E104-P109 HydrophobicContact CB-CB 4.39Å; E104-P109 HydrophobicContact CG-CB 3.86Å; E104-T383 WeakPolarHBondContact OE1-CA 3.34Å; E104-T383 WeakPolarHBondContact OE1-CB 3.28Å; E104-T383 PolarHBondContact OE1-OG1 2.76Å; E104-F384 HydrophobicContact CB-CB 4.09Å; E104-F384 HydrophobicContact CB-CD2 4.33Å; E104-F384 HydrophobicContact CG-CB 3.79Å; E104-F384 HydrophobicContact CG-CG 4.42Å; E104-F384 CarbonylContact O-C 3.6Å; E104-F384 PolarHBondContact OE1-N 2.78Å; E104-A385 HydrophobicContact CG-CB 4.2Å; E104-A385 WeakPolarHBondContact O-CA 3.33Å; E104-A385 PolarHBondContact O-N 3.15Å
105I98.8Very high94.3Very high1 Ų121.4 Ų21.41%0.00512%0.115CC..Hα-helixtrans-52.5-36.7172-71.5163.2000111.1V8 G101 H102 G107 F299 T345 A346 D347 I364 F384 I387 G388V8-I105 HydrophobicContact CG2-CD1 4.09Å; G101-I105 VanDerWaalsContact O-CG1 3.24Å; G101-I105 WeakPolarHBondContact O-CG1 3.25Å; G101-I105 PolarHBondContact O-N 3.21Å; H102-I105 WeakPolarHBondContact O-CB 3.33Å; H102-I105 PolarHBondContact O-N 2.77Å; I105-G107 VanDerWaalsContact C-N 3.25Å; I105-G107 PolarHBondContact O-N 3.18Å; I105-F299 HydrophobicContact CG2-CZ 4.17Å; I105-T345 HydrophobicContact CD1-CG2 4.06Å; I105-A346 WeakPolarHBondContact CD1-O 3.45Å; I105-D347 HydrophobicContact CD1-CB 4.28Å; I105-I364 HydrophobicContact CG1-CD1 4.46Å; I105-F384 HydrophobicContact CG1-CB 3.9Å; I105-F384 HydrophobicContact CG1-CD2 4.25Å; I105-F384 HydrophobicContact CG1-CG 4.43Å; I105-I387 HydrophobicContact CG1-CD1 4.14Å; I105-I387 HydrophobicContact CG2-CB 4.3Å; I105-I387 HydrophobicContact CG2-CD1 4.14Å; I105-I387 HydrophobicContact CG2-CG2 3.92Å; I105-G388 VanDerWaalsContact O-CA 3.26Å; I105-G388 WeakPolarHBondContact O-CA 3.4Å; I105-G388 PolarHBondContact O-N 3.17Å
106A98.7Very high94.5Very high1 Ų126.3 Ų26.31%0.00813%0.13CC..THydrogen-bonded Turntrans-85.810.7177.300000114.4H102 W103 E104 T241 V242 L243 Y264 M400H102-A106 PolarHBondContact O-N 2.99Å; H102-A106 VanDerWaalsContact O-N 3.09Å; W103-A106 CarbonylContact O-C 3.58Å; W103-A106 WeakPolarHBondContact O-CA 3.37Å; W103-A106 PolarHBondContact O-N 2.9Å; W103-A106 VanDerWaalsContact O-N 3.14Å; E104-A106 PolarHBondContact O-N 3.05Å; E104-A106 VanDerWaalsContact O-N 3.13Å; A106-T241 HydrophobicContact CB-CG2 4.1Å; A106-V242 HydrophobicContact CB-CG1 4.26Å; A106-V242 PolarHBondContact O-N 2.92Å; A106-L243 HydrophobicContact CB-CG 4.47Å; A106-Y264 HydrophobicContact CB-CE1 3.65Å; A106-Y264 WeakPolarHBondContact CB-OH 3.28Å; A106-M400 WeakPolarHBondContact O-CE 3.48Å
107G98.5Very high94.7Very high2 Ų225.7 Ų25.72%0.02113%0.128CC..THydrogen-bonded Turntrans90.817172.200000115.6W103 E104 I105W103-G107 PolarHBondContact O-N 3.22Å; E104-G107 WeakPolarHBondContact O-CA 3.44Å; E104-G107 PolarHBondContact O-N 3.11Å; I105-G107 VanDerWaalsContact C-N 3.25Å; I105-G107 PolarHBondContact O-N 3.18Å
108V98.2Very high94.7Very high8 Ų828.5 Ų28.55%0.04815%0.15CC..  trans-133.182.6-175.1-1740000110.2W103 E104 P238 A239 T241 M400W103-V108 CarbonylContact C-O 3.57Å; W103-V108 VanDerWaalsContact CB-O 3.29Å; W103-V108 WeakPolarHBondContact CB-O 3.23Å; W103-V108 CarbonylContact O-C 3.49Å; W103-V108 WeakPolarHBondContact O-CA 3.24Å; W103-V108 PolarHBondContact O-N 2.82Å; E104-V108 PolarHBondContact N-O 3.27Å; V108-P238 HydrophobicContact CG1-CG 3.6Å; V108-A239 HydrophobicContact CG1-CB 4Å; V108-A239 HydrophobicContact CG2-CB 4.3Å; V108-T241 HydrophobicContact CB-CG2 4.41Å; V108-T241 HydrophobicContact CG2-CG2 3.9Å; V108-M400 HydrophobicContact CG2-CE 4.1Å
109P97.4Very high94.9Very high6 Ų632.2 Ų32.24%0.03917%0.168CC..  trans-62.7147.2177.624.5-32.4000112.5M92 S93 E104 L111 Y402M92-P109 HydrophobicContact CB-CB 4.25Å; M92-P109 HydrophobicContact CG-CB 4.47Å; M92-P109 HydrophobicContact SD-CB 4.42Å; M92-P109 HydrophobicContact SD-CG 4.11Å; S93-P109 WeakPolarHBondContact OG-CA 3.46Å; E104-P109 HydrophobicContact CB-CB 4.39Å; E104-P109 HydrophobicContact CG-CB 3.86Å; P109-L111 HydrophobicContact CB-CD2 4.02Å; P109-L111 HydrophobicContact CB-CG 4.39Å; P109-L111 HydrophobicContact CG-CD2 4.32Å; P109-L111 HydrophobicContact CG-CG 4.41Å; P109-L111 PolarHBondContact O-N 2.93Å; P109-Y402 VanDerWaalsContact CD-CD2 3.47Å; P109-Y402 HydrophobicContact CG-CD1 3.72Å; P109-Y402 HydrophobicContact CG-CD2 3.69Å; P109-Y402 HydrophobicContact CG-CE1 4.07Å; P109-Y402 HydrophobicContact CG-CE2 4.07Å; P109-Y402 HydrophobicContact CG-CG 3.52Å
110V94.6Very high94.8Very high0 Ų037.9 Ų37.90%019%0.193CC..  trans-89.497.7173.7176.80000108.9S93 S94 W103 F112S93-V110 CarbonylContact C-O 3.53Å; S93-V110 VanDerWaalsContact CA-O 3.23Å; S93-V110 WeakPolarHBondContact CA-O 3.37Å; S93-V110 WeakPolarHBondContact CB-O 3.46Å; S93-V110 PolarHBondContact OG-N 3.46Å; S94-V110 PolarHBondContact N-O 2.96Å; W103-V110 HydrophobicContact CD2-CG2 4.35Å; W103-V110 HydrophobicContact CE3-CG2 3.44Å; W103-V110 VanDerWaalsContact CE3-CG2 3.44Å; W103-V110 HydrophobicContact CZ3-CG2 4Å; V110-F112 VanDerWaalsContact C-N 3.3Å; V110-F112 HydrophobicContact CG1-CD1 4.19Å; V110-F112 HydrophobicContact CG1-CD2 3.81Å; V110-F112 HydrophobicContact CG1-CE1 4.04Å; V110-F112 HydrophobicContact CG1-CE2 3.65Å; V110-F112 HydrophobicContact CG1-CG 4.1Å; V110-F112 HydrophobicContact CG1-CZ 3.78Å; V110-F112 WeakPolarHBondContact CG1-O 3.25Å
111L93.9Very high94.9Very high94 Ų9445.2 Ų45.249%0.49223%0.227SC..  trans-94.317.2-179.3-54.4-177.8000113M92 P109 Y402M92-L111 HydrophobicContact CG-CD2 4.03Å; M92-L111 HydrophobicContact SD-CD2 4.29Å; P109-L111 HydrophobicContact CB-CD2 4.02Å; P109-L111 HydrophobicContact CB-CG 4.39Å; P109-L111 HydrophobicContact CG-CD2 4.32Å; P109-L111 HydrophobicContact CG-CG 4.41Å; P109-L111 PolarHBondContact O-N 2.93Å; L111-Y402 HydrophobicContact CD1-CE1 4.02Å; L111-Y402 WeakPolarHBondContact CD1-OH 3.47Å
112F91.2Very high94.8Very high62 Ų6250.8 Ų50.827%0.27226%0.257SS..SBendtrans-128.5155.6-178.959.1-105.3000110.4S94 W103 V110 W114 N207 P238S94-F112 PolarHBondContact OG-O 3.35Å; W103-F112 HydrophobicContact CZ3-CZ 4.31Å; V110-F112 VanDerWaalsContact C-N 3.3Å; V110-F112 HydrophobicContact CG1-CD1 4.19Å; V110-F112 HydrophobicContact CG1-CD2 3.81Å; V110-F112 HydrophobicContact CG1-CE1 4.04Å; V110-F112 HydrophobicContact CG1-CE2 3.65Å; V110-F112 HydrophobicContact CG1-CG 4.1Å; V110-F112 HydrophobicContact CG1-CZ 3.78Å; V110-F112 WeakPolarHBondContact CG1-O 3.25Å; F112-W114 HydrophobicContact CE2-CD2 4.24Å; F112-W114 HydrophobicContact CE2-CE3 4.01Å; F112-W114 AromaticContact CE2-CH2 3.9Å; F112-W114 HydrophobicContact CE2-CH2 3.9Å; F112-W114 HydrophobicContact CE2-CZ2 4.14Å; F112-W114 AromaticContact CE2-CZ3 3.82Å; F112-W114 HydrophobicContact CE2-CZ3 3.82Å; F112-W114 HydrophobicContact CZ-CH2 4.15Å; F112-W114 HydrophobicContact CZ-CZ3 4.39Å; F112-N207 WeakPolarHBondContact CD2-ND2 3.5Å; F112-N207 WeakPolarHBondContact CE2-ND2 3.23Å; F112-P238 HydrophobicContact CE1-CB 4.26Å; F112-P238 HydrophobicContact CE1-CG 4.1Å
113E88Confident94.8Very high119 Ų11951.1 Ų51.156%0.55626%0.259SS*.PPolyproline II helixtrans-88.2135.1176-63.4-59.1138.900111S94 N207S94-E113 WeakPolarHBondContact CB-OE1 3.26Å; S94-E113 PolarHBondContact OG-OE1 3.25Å; E113-N207 PolarHBondContact O-ND2 3.28Å
114W88.5Confident94.8Very high19 Ų1951.1 Ų51.17%0.07226%0.259CS..PPolyproline II helixtrans-64.4146.8168.1-66.2117.1000111D97 P99 W103 F112 Y116 V235D97-W114 PolarHBondContact OD2-NE1 3.49Å; P99-W114 HydrophobicContact CB-CZ2 4.1Å; W103-W114 AromaticContact CH2-CH2 3.73Å; W103-W114 HydrophobicContact CH2-CH2 3.73Å; W103-W114 HydrophobicContact CH2-CZ2 4.07Å; W103-W114 AromaticContact CZ3-CH2 3.92Å; W103-W114 HydrophobicContact CZ3-CH2 3.92Å; W103-W114 HydrophobicContact CZ3-CZ2 4.06Å; F112-W114 HydrophobicContact CE2-CD2 4.24Å; F112-W114 HydrophobicContact CE2-CE3 4.01Å; F112-W114 AromaticContact CE2-CH2 3.9Å; F112-W114 HydrophobicContact CE2-CH2 3.9Å; F112-W114 HydrophobicContact CE2-CZ2 4.14Å; F112-W114 AromaticContact CE2-CZ3 3.82Å; F112-W114 HydrophobicContact CE2-CZ3 3.82Å; F112-W114 HydrophobicContact CZ-CH2 4.15Å; F112-W114 HydrophobicContact CZ-CZ3 4.39Å; W114-Y116 HydrophobicContact CB-CD2 4.39Å; W114-Y116 HydrophobicContact CB-CE2 3.64Å; W114-Y116 VanDerWaalsContact O-CD2 3.3Å; W114-Y116 WeakPolarHBondContact O-CD2 3.49Å; W114-Y116 WeakPolarHBondContact O-CE2 3.22Å; W114-V235 HydrophobicContact CH2-CB 4.11Å; W114-V235 HydrophobicContact CH2-CG1 4.21Å; W114-V235 HydrophobicContact CZ3-CB 4.09Å; W114-V235 HydrophobicContact CZ3-CG1 4.24Å; W114-V235 HydrophobicContact CZ3-CG2 4.12Å
115G91.7Very high94.7Very high18 Ų1853.8 Ų53.819%0.18628%0.277CS..PPolyproline II helixtrans-78.3145.1164.700000111.1S174 Y206 N207 I208G115-S174 VanDerWaalsContact O-CB 3.31Å; G115-S174 WeakPolarHBondContact O-CB 3.13Å; G115-S174 PolarHBondContact O-OG 2.98Å; G115-Y206 VanDerWaalsContact CA-O 3.29Å; G115-Y206 WeakPolarHBondContact CA-O 3.43Å; G115-N207 PolarHBondContact N-O 3.4Å; G115-I208 VanDerWaalsContact O-CD1 3.24Å; G115-I208 WeakPolarHBondContact O-CD1 3.35Å
116Y92.3Very high94.7Very high117 Ų11758.1 Ų58.146%0.45930%0.297SS..  trans-131.9140.6174.4-62.9-94.9000109.2W114 S118 A172W114-Y116 HydrophobicContact CB-CD2 4.39Å; W114-Y116 HydrophobicContact CB-CE2 3.64Å; W114-Y116 VanDerWaalsContact O-CD2 3.3Å; W114-Y116 WeakPolarHBondContact O-CD2 3.49Å; W114-Y116 WeakPolarHBondContact O-CE2 3.22Å; Y116-S118 PolarHBondContact O-N 3.32Å; Y116-A172 WeakPolarHBondContact CD1-O 3.44Å
117F95Very high94.6Very high13 Ų1363.8 Ų63.86%0.05732%0.323CS..  trans-89.886.4170.3-64.9-60.8000108S123 F124 L128 H146 T170 F176 L201 Y206 I208F117-S123 WeakPolarHBondContact CB-O 3.44Å; F117-S123 WeakPolarHBondContact CD1-O 3.25Å; F117-F124 HydrophobicContact CB-CD1 4.33Å; F117-F124 HydrophobicContact CB-CE1 4.32Å; F117-F124 AromaticContact CD1-CD1 3.75Å; F117-F124 HydrophobicContact CD1-CD1 3.75Å; F117-F124 HydrophobicContact CD1-CE1 4.4Å; F117-F124 AromaticContact CD2-CD1 3.53Å; F117-F124 HydrophobicContact CD2-CD1 3.53Å; F117-F124 AromaticContact CD2-CE1 3.37Å; F117-F124 HydrophobicContact CD2-CE1 3.37Å; F117-F124 AromaticContact CE1-CD1 3.84Å; F117-F124 HydrophobicContact CE1-CD1 3.84Å; F117-F124 AromaticContact CE2-CD1 3.59Å; F117-F124 HydrophobicContact CE2-CD1 3.59Å; F117-F124 AromaticContact CE2-CE1 3.64Å; F117-F124 HydrophobicContact CE2-CE1 3.64Å; F117-F124 AromaticContact CG-CD1 3.6Å; F117-F124 HydrophobicContact CG-CD1 3.6Å; F117-F124 AromaticContact CG-CE1 3.78Å; F117-F124 HydrophobicContact CG-CE1 3.78Å; F117-F124 AromaticContact CZ-CD1 3.74Å; F117-F124 HydrophobicContact CZ-CD1 3.74Å; F117-F124 HydrophobicContact CZ-CE1 4.27Å; F117-L128 HydrophobicContact CE1-CD2 4.46Å; F117-L128 HydrophobicContact CZ-CD2 4.04Å; F117-H146 PolarHBondContact O-NE2 3.03Å; F117-T170 HydrophobicContact CB-CG2 3.91Å; F117-F176 HydrophobicContact CE2-CB 4.36Å; F117-F176 AromaticContact CE2-CD2 3.93Å; F117-F176 HydrophobicContact CE2-CD2 3.93Å; F117-F176 HydrophobicContact CZ-CD2 4.35Å; F117-L201 HydrophobicContact CE2-CD2 4.34Å; F117-L201 HydrophobicContact CZ-CD2 3.79Å; F117-Y206 HydrophobicContact CE1-CD1 4.42Å; F117-I208 HydrophobicContact CD2-CD1 3.98Å; F117-I208 HydrophobicContact CD2-CG1 4.48Å; F117-I208 HydrophobicContact CE1-CD1 4.4Å; F117-I208 HydrophobicContact CE2-CD1 3.53Å; F117-I208 HydrophobicContact CE2-CG1 3.59Å; F117-I208 HydrophobicContact CE2-CG2 4.39Å; F117-I208 HydrophobicContact CZ-CD1 3.77Å; F117-I208 HydrophobicContact CZ-CG1 3.73Å
118S90.8Very high94.6Very high89 Ų8963.7 Ų63.762%0.62232%0.322SS*.  trans-78.1-25.9-169.649.20000114.7Y116 H120Y116-S118 PolarHBondContact O-N 3.32Å; S118-H120 PolarHBondContact O-N 3.16Å
119D94.2Very high94.6Very high106 Ų10663.3 Ų63.357%0.56732%0.32SS*.  trans-69.6126.2-179.8-69.7-34.9000110.7E121 S123 H146D119-E121 VanDerWaalsContact C-N 3.29Å; D119-E121 PolarHBondContact O-N 3.1Å; D119-S123 WeakPolarHBondContact O-CA 3.5Å; D119-S123 VanDerWaalsContact O-CB 3.22Å; D119-S123 WeakPolarHBondContact O-CB 3.4Å; D119-S123 PolarHBondContact O-OG 2.85Å; D119-H146 PolarHBondContact O-CD2 3.13Å; D119-H146 VanDerWaalsContact O-CD2 3.26Å
120H93.1Very high94.7Very high136 Ų13667.1 Ų67.163%0.6334%0.34SS*.SBendtrans-69.6-27-177.6-76.9-101.3000113.4S118 C145 H146S118-H120 PolarHBondContact O-N 3.16Å; H120-C145 CarbonylContact O-C 3.4Å; H120-C145 VanDerWaalsContact O-CA 3.28Å; H120-C145 WeakPolarHBondContact O-CA 3.48Å; H120-C145 VanDerWaalsContact O-CB 3.31Å; H120-C145 WeakPolarHBondContact O-CB 3.35Å; H120-H146 PolarHBondContact O-N 3.32Å
121E94.9Very high94.8Very high154 Ų15470.5 Ų70.572%0.7236%0.355SS*.BIsolated β-bridgetrans-126.5144.3174.3-64.6-176.817600108.6D119 S123D119-E121 VanDerWaalsContact C-N 3.29Å; D119-E121 PolarHBondContact O-N 3.1Å; E121-S123 PolarHBondContact O-N 3.42Å
122N96.8Very high95.1Very high118 Ų11866 Ų6663%0.63133%0.331SS*.SBendtrans56.239.6-170.2-51.7-66.1000112.7F124 N144N122-F124 PolarHBondContact O-N 2.96Å; N122-F124 VanDerWaalsContact O-N 3.15Å; N122-N144 WeakPolarHBondContact CA-ND2 3.33Å; N122-N144 WeakPolarHBondContact CA-O 3.27Å; N122-N144 PolarHBondContact N-O 2.9Å
123S96.9Very high95.4Very high6 Ų664.8 Ų64.84%0.04233%0.329CS..  trans-56.3-32.6-172-53.70000114.2F117 D119 E121 N144 C145 H146F117-S123 WeakPolarHBondContact CB-O 3.44Å; F117-S123 WeakPolarHBondContact CD1-O 3.25Å; D119-S123 WeakPolarHBondContact O-CA 3.5Å; D119-S123 VanDerWaalsContact O-CB 3.22Å; D119-S123 WeakPolarHBondContact O-CB 3.4Å; D119-S123 PolarHBondContact O-OG 2.85Å; E121-S123 PolarHBondContact O-N 3.42Å; S123-N144 PolarHBondContact N-O 3.49Å; S123-N144 PolarHBondContact N-OD1 3.22Å; S123-N144 VanDerWaalsContact N-OD1 3.11Å; S123-C145 VanDerWaalsContact OG-C 3.23Å; S123-C145 WeakPolarHBondContact OG-CA 3.24Å; S123-H146 PolarHBondContact OG-N 2.92Å
124F97.9Very high95.9Very high4 Ų467 Ų672%0.01834%0.339CS..SBendtrans-104.2136.7-176.1-47.9-61.7000111.1F117 N122 Q126 L129 N144 F168 T170 F176F117-F124 HydrophobicContact CB-CD1 4.33Å; F117-F124 HydrophobicContact CB-CE1 4.32Å; F117-F124 AromaticContact CD1-CD1 3.75Å; F117-F124 HydrophobicContact CD1-CD1 3.75Å; F117-F124 HydrophobicContact CD1-CE1 4.4Å; F117-F124 AromaticContact CD2-CD1 3.53Å; F117-F124 HydrophobicContact CD2-CD1 3.53Å; F117-F124 AromaticContact CD2-CE1 3.37Å; F117-F124 HydrophobicContact CD2-CE1 3.37Å; F117-F124 AromaticContact CE1-CD1 3.84Å; F117-F124 HydrophobicContact CE1-CD1 3.84Å; F117-F124 AromaticContact CE2-CD1 3.59Å; F117-F124 HydrophobicContact CE2-CD1 3.59Å; F117-F124 AromaticContact CE2-CE1 3.64Å; F117-F124 HydrophobicContact CE2-CE1 3.64Å; F117-F124 AromaticContact CG-CD1 3.6Å; F117-F124 HydrophobicContact CG-CD1 3.6Å; F117-F124 AromaticContact CG-CE1 3.78Å; F117-F124 HydrophobicContact CG-CE1 3.78Å; F117-F124 AromaticContact CZ-CD1 3.74Å; F117-F124 HydrophobicContact CZ-CD1 3.74Å; F117-F124 HydrophobicContact CZ-CE1 4.27Å; N122-F124 PolarHBondContact O-N 2.96Å; N122-F124 VanDerWaalsContact O-N 3.15Å; F124-Q126 PolarHBondContact O-N 3.06Å; F124-L129 HydrophobicContact CB-CD1 4.08Å; F124-L129 HydrophobicContact CB-CD2 3.84Å; F124-L129 HydrophobicContact CB-CG 3.95Å; F124-L129 HydrophobicContact CD2-CD2 4.08Å; F124-L129 HydrophobicContact CG-CD2 4.31Å; F124-N144 WeakPolarHBondContact CB-OD1 3.26Å; F124-N144 HydrophobicContact CD2-CB 4.28Å; F124-N144 WeakPolarHBondContact CD2-OD1 3.36Å; F124-N144 PolarHBondContact N-OD1 3.09Å; F124-F168 HydrophobicContact CD2-CB 4.17Å; F124-F168 HydrophobicContact CE2-CB 3.68Å; F124-T170 HydrophobicContact CE1-CG2 4.28Å; F124-T170 HydrophobicContact CZ-CG2 4.29Å; F124-F176 HydrophobicContact CB-CE2 4.46Å; F124-F176 AromaticContact CD1-CD2 3.55Å; F124-F176 HydrophobicContact CD1-CD2 3.55Å; F124-F176 AromaticContact CD1-CE2 3.52Å; F124-F176 HydrophobicContact CD1-CE2 3.52Å; F124-F176 AromaticContact CD2-CE2 3.91Å; F124-F176 HydrophobicContact CD2-CE2 3.91Å; F124-F176 AromaticContact CE1-CD2 3.29Å; F124-F176 HydrophobicContact CE1-CD2 3.29Å; F124-F176 AromaticContact CE1-CE2 3.56Å; F124-F176 HydrophobicContact CE1-CE2 3.56Å; F124-F176 HydrophobicContact CE1-CG 4.24Å; F124-F176 HydrophobicContact CE2-CD2 4.42Å; F124-F176 AromaticContact CE2-CE2 3.97Å; F124-F176 HydrophobicContact CE2-CE2 3.97Å; F124-F176 HydrophobicContact CE2-CZ 4.5Å; F124-F176 HydrophobicContact CG-CD2 4.22Å; F124-F176 AromaticContact CG-CE2 3.69Å; F124-F176 HydrophobicContact CG-CE2 3.69Å; F124-F176 AromaticContact CZ-CD2 3.77Å; F124-F176 HydrophobicContact CZ-CD2 3.77Å; F124-F176 AromaticContact CZ-CE2 3.78Å; F124-F176 HydrophobicContact CZ-CE2 3.78Å
125P97.2Very high96.3Very high56 Ų5671.1 Ų71.136%0.36436%0.355SS..  trans-58.6137.5174.6-30.341.1000112.4E127 L128 L129 Y206P125-E127 PolarHBondContact O-N 2.79Å; P125-L128 WeakPolarHBondContact O-CB 3.46Å; P125-L128 PolarHBondContact O-N 3.48Å; P125-L129 PolarHBondContact O-N 3.28Å; P125-Y206 HydrophobicContact CB-CE1 4.37Å; P125-Y206 HydrophobicContact CG-CE1 3.87Å
126Q97.8Very high96.6Very high93 Ų9371.1 Ų71.144%0.43535%0.352SS..Hα-helixtrans-58.4-36.8-176.2-169.961.451.100112.6F124 L128 L129 D130 Y141F124-Q126 PolarHBondContact O-N 3.06Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 3.3Å; Q126-L129 PolarHBondContact O-N 2.79Å; Q126-L129 VanDerWaalsContact O-N 3.14Å; Q126-D130 PolarHBondContact NE2-OD1 2.81Å; Q126-D130 WeakPolarHBondContact O-CB 3.48Å; Q126-D130 PolarHBondContact O-N 3.27Å; Q126-Y141 PolarHBondContact NE2-OH 2.77Å; Q126-Y141 PolarHBondContact OE1-OH 2.68Å
127E97.8Very high96.9Very high119 Ų11972.2 Ų72.256%0.55637%0.366SS*.Hα-helixtrans-59.9-39.6177.3-172.4-171.9156.900112.4P125 K131P125-E127 PolarHBondContact O-N 2.79Å; E127-K131 WeakPolarHBondContact O-CG 3.24Å; E127-K131 PolarHBondContact O-N 2.98Å; E127-K131 VanDerWaalsContact OE1-CE 3.3Å; E127-K131 WeakPolarHBondContact OE1-CE 3.46Å; E127-K131 IonicContact OE1-NZ 2.73Å; E127-K131 PolarHBondContact OE1-NZ 3.11Å
128L98.3Very high97Very high1 Ų172.2 Ų72.21%0.00537%0.367CS..Hα-helixtrans-63.7-48.5174.6175.262.9000110F117 P125 Q126 D130 K131 L132 F176 E200 L201 Y206F117-L128 HydrophobicContact CE1-CD2 4.46Å; F117-L128 HydrophobicContact CZ-CD2 4.04Å; P125-L128 WeakPolarHBondContact O-CB 3.46Å; P125-L128 PolarHBondContact O-N 3.48Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 3.3Å; L128-D130 VanDerWaalsContact C-N 3.34Å; L128-D130 PolarHBondContact O-N 2.96Å; L128-K131 PolarHBondContact O-N 2.66Å; L128-L132 HydrophobicContact CD1-CG 4.39Å; L128-L132 HydrophobicContact CG-CD1 4.37Å; L128-L132 WeakPolarHBondContact O-CG 3.28Å; L128-L132 PolarHBondContact O-N 3.49Å; L128-F176 HydrophobicContact CD2-CD2 4.49Å; L128-F176 HydrophobicContact CD2-CE2 4.2Å; L128-E200 HydrophobicContact CD1-CB 3.76Å; L128-L201 HydrophobicContact CD1-CD2 4.21Å; L128-L201 HydrophobicContact CD1-CG 4.5Å; L128-L201 HydrophobicContact CD2-CD2 3.54Å; L128-L201 HydrophobicContact CD2-CG 4.5Å; L128-Y206 HydrophobicContact CB-CE2 4.24Å; L128-Y206 HydrophobicContact CD1-CE2 4.07Å; L128-Y206 HydrophobicContact CD2-CE2 4.41Å; L128-Y206 HydrophobicContact CG-CE2 4.47Å
129L98.6Very high97.3Very high0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-60.6-42.9-178.6-62.9172.4000112.2F124 P125 Q126 L132 V133 Y141 N144 F168F124-L129 HydrophobicContact CB-CD1 4.08Å; F124-L129 HydrophobicContact CB-CD2 3.84Å; F124-L129 HydrophobicContact CB-CG 3.95Å; F124-L129 HydrophobicContact CD2-CD2 4.08Å; F124-L129 HydrophobicContact CG-CD2 4.31Å; P125-L129 PolarHBondContact O-N 3.28Å; Q126-L129 PolarHBondContact O-N 2.79Å; Q126-L129 VanDerWaalsContact O-N 3.14Å; L129-L132 PolarHBondContact O-N 3.11Å; L129-V133 WeakPolarHBondContact O-CG2 3.26Å; L129-V133 PolarHBondContact O-N 2.98Å; L129-Y141 HydrophobicContact CB-CD1 4.26Å; L129-Y141 HydrophobicContact CB-CE1 3.67Å; L129-Y141 HydrophobicContact CD1-CE1 4.17Å; L129-Y141 HydrophobicContact CD1-CE2 3.71Å; L129-Y141 VanDerWaalsContact CD1-CZ 3.49Å; L129-Y141 WeakPolarHBondContact CD1-OH 3.41Å; L129-Y141 HydrophobicContact CD2-CD2 4.41Å; L129-Y141 HydrophobicContact CD2-CE1 4.47Å; L129-Y141 HydrophobicContact CD2-CE2 4.34Å; L129-Y141 HydrophobicContact CG-CE1 4.32Å; L129-Y141 HydrophobicContact CG-CE2 4.46Å; L129-N144 WeakPolarHBondContact CD1-ND2 3.33Å; L129-F168 HydrophobicContact CD2-CD2 3.67Å; L129-F168 HydrophobicContact CD2-CE2 4.14Å
130D98.4Very high97.5Very high86 Ų8667 Ų6746%0.4634%0.339SS..Hα-helixtrans-62.2-45.2178.1-67.8-16.4000111.1Q126 L128 L132 V133 E134Q126-D130 PolarHBondContact NE2-OD1 2.81Å; Q126-D130 WeakPolarHBondContact O-CB 3.48Å; Q126-D130 PolarHBondContact O-N 3.27Å; L128-D130 VanDerWaalsContact C-N 3.34Å; L128-D130 PolarHBondContact O-N 2.96Å; D130-L132 VanDerWaalsContact C-N 3.35Å; D130-L132 PolarHBondContact O-N 2.8Å; D130-V133 PolarHBondContact O-N 2.78Å; D130-E134 WeakPolarHBondContact O-CB 3.41Å; D130-E134 PolarHBondContact O-N 2.57Å
131K98.3Very high97.8Very high70 Ų7063.3 Ų63.330%0.30432%0.32SS..Hα-helixtrans-59.9-42.6175.3-72.8176.3-171.7169.70112E127 L128 R135 E200E127-K131 WeakPolarHBondContact O-CG 3.24Å; E127-K131 PolarHBondContact O-N 2.98Å; E127-K131 VanDerWaalsContact OE1-CE 3.3Å; E127-K131 WeakPolarHBondContact OE1-CE 3.46Å; E127-K131 IonicContact OE1-NZ 2.73Å; E127-K131 PolarHBondContact OE1-NZ 3.11Å; L128-K131 PolarHBondContact O-N 2.66Å; K131-R135 WeakPolarHBondContact O-CB 3.38Å; K131-R135 PolarHBondContact O-N 2.97Å; K131-E200 HydrophobicContact CB-CG 4.38Å; K131-E200 WeakPolarHBondContact CD-OE2 3.24Å
132L98.6Very high98Very high0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-64-44.2177.3-63.4180000111.7L128 L129 D130 A136 F168 F176 I196 A197 E200L128-L132 HydrophobicContact CD1-CG 4.39Å; L128-L132 HydrophobicContact CG-CD1 4.37Å; L128-L132 WeakPolarHBondContact O-CG 3.28Å; L128-L132 PolarHBondContact O-N 3.49Å; L129-L132 PolarHBondContact O-N 3.11Å; D130-L132 VanDerWaalsContact C-N 3.35Å; D130-L132 PolarHBondContact O-N 2.8Å; L132-A136 VanDerWaalsContact O-CB 3.3Å; L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 2.7Å; L132-F168 HydrophobicContact CB-CE2 4.39Å; L132-F168 HydrophobicContact CB-CZ 4.43Å; L132-F168 HydrophobicContact CD1-CE2 3.91Å; L132-F168 HydrophobicContact CD1-CZ 4.08Å; L132-F176 HydrophobicContact CD1-CE1 4.08Å; L132-F176 HydrophobicContact CD1-CE2 4.29Å; L132-F176 HydrophobicContact CD1-CZ 3.55Å; L132-I196 HydrophobicContact CD2-CG2 4Å; L132-A197 HydrophobicContact CD1-CB 4.44Å; L132-A197 HydrophobicContact CD2-CB 3.88Å; L132-E200 HydrophobicContact CD2-CB 4.2Å; L132-E200 HydrophobicContact CD2-CG 4.03Å
133V98.5Very high98Very high36 Ų3653 Ų5322%0.21828%0.277CS..Hα-helixtrans-62-46.2179170.10000111.3L129 D130 N137 L138 Y141L129-V133 WeakPolarHBondContact O-CG2 3.26Å; L129-V133 PolarHBondContact O-N 2.98Å; D130-V133 PolarHBondContact O-N 2.78Å; V133-N137 WeakPolarHBondContact O-CA 3.19Å; V133-N137 PolarHBondContact O-N 3.39Å; V133-L138 HydrophobicContact CG1-CB 4.47Å; V133-L138 WeakPolarHBondContact CG1-O 3.38Å; V133-L138 HydrophobicContact CG2-CB 4.49Å; V133-L138 PolarHBondContact O-N 2.87Å; V133-Y141 HydrophobicContact CG2-CD1 3.66Å; V133-Y141 HydrophobicContact CG2-CE1 4.23Å
134E98.2Very high98.1Very high165 Ų16553.1 Ų53.177%0.77128%0.278SS*.Hα-helixtrans-66.9-53.8179.2-176.2177.1-174.800111.4D130 A136 N137D130-E134 WeakPolarHBondContact O-CB 3.41Å; D130-E134 PolarHBondContact O-N 2.57Å; E134-A136 PolarHBondContact O-N 3.48Å; E134-N137 PolarHBondContact O-N 3.01Å
135R97.9Very high98.1Very high107 Ų10754.1 Ų54.140%0.40428%0.284SS..Hα-helixtrans-69.8-34.7-170.9-171170.5170.4-160.4-6113.2K131 I196 E199 E200K131-R135 WeakPolarHBondContact O-CB 3.38Å; K131-R135 PolarHBondContact O-N 2.97Å; R135-I196 HydrophobicContact CB-CG2 4.08Å; R135-I196 HydrophobicContact CG-CD1 4.4Å; R135-I196 HydrophobicContact CG-CG1 4.49Å; R135-I196 HydrophobicContact CG-CG2 3.91Å; R135-E199 IonicContact CZ-OE2 3.58Å; R135-E199 IonicContact NH1-OE2 2.73Å; R135-E199 PolarHBondContact NH1-OE2 2.77Å; R135-E199 IonicContact NH2-OE1 3.71Å; R135-E199 IonicContact NH2-OE2 3.6Å; R135-E199 PolarHBondContact NH2-OE2 2.86Å; R135-E200 WeakPolarHBondContact CD-OE1 3.47Å; R135-E200 IonicContact CZ-OE1 3.94Å; R135-E200 IonicContact NE-OE1 2.65Å; R135-E200 IonicContact NH1-OE1 3.64Å; R135-E200 PolarHBondContact NH1-OE1 3.05Å
136A97.7Very high98Very high17 Ų1753.4 Ų53.414%0.1428%0.276CS..THydrogen-bonded Turntrans-94.37.5175.600000113.5L132 E134 L138 L193 I196L132-A136 VanDerWaalsContact O-CB 3.3Å; L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 2.7Å; E134-A136 PolarHBondContact O-N 3.48Å; A136-L138 HydrophobicContact CB-CD1 4.19Å; A136-L138 HydrophobicContact CB-CD2 4.08Å; A136-L138 HydrophobicContact CB-CG 3.86Å; A136-L138 PolarHBondContact O-N 3.28Å; A136-L193 HydrophobicContact CB-CD1 3.55Å; A136-I196 HydrophobicContact CB-CD1 3.73Å
137N97.3Very high97.9Very high140 Ų14050.1 Ų50.175%0.74926%0.263SS*.THydrogen-bonded Turntrans48.553.6-179.9-173.235.2000112.6V133 E134V133-N137 WeakPolarHBondContact O-CA 3.19Å; V133-N137 PolarHBondContact O-N 3.39Å; E134-N137 PolarHBondContact O-N 3.01Å
138L98.1Very high97.6Very high13 Ų1347.2 Ų47.27%0.06826%0.256CS..  trans-90.7148.9-177.3-55.3173.4000110.9V133 A136 G140 P166 F168 F185 L193V133-L138 HydrophobicContact CG1-CB 4.47Å; V133-L138 WeakPolarHBondContact CG1-O 3.38Å; V133-L138 HydrophobicContact CG2-CB 4.49Å; V133-L138 PolarHBondContact O-N 2.87Å; A136-L138 HydrophobicContact CB-CD1 4.19Å; A136-L138 HydrophobicContact CB-CD2 4.08Å; A136-L138 HydrophobicContact CB-CG 3.86Å; A136-L138 PolarHBondContact O-N 3.28Å; L138-G140 PolarHBondContact O-N 2.87Å; L138-P166 HydrophobicContact CD1-CG 3.64Å; L138-P166 HydrophobicContact CD2-CG 4.1Å; L138-P166 HydrophobicContact CG-CG 4.4Å; L138-F168 HydrophobicContact CD1-CZ 4.02Å; L138-F185 HydrophobicContact CD2-CE2 4.26Å; L138-F185 HydrophobicContact CD2-CZ 4.01Å; L138-L193 HydrophobicContact CD1-CD1 3.89Å; L138-L193 HydrophobicContact CD1-CD2 4.21Å; L138-L193 HydrophobicContact CD2-CD2 4.23Å
139P97.6Very high97.2Very high75 Ų7547.4 Ų47.449%0.48726%0.259SS..SBendtrans-714.617129.2-33.2000113.7T163 K165P139-T163 WeakPolarHBondContact CG-O 3.42Å; P139-K165 HydrophobicContact CB-CG 4.25Å; P139-K165 HydrophobicContact CG-CG 3.83Å; P139-K165 WeakPolarHBondContact O-CE 3.48Å
140G98.3Very high96.8Very high12 Ų1251.1 Ų51.112%0.12428%0.282CS..  trans126.5-165.3-170.700000111L138 P166L138-G140 PolarHBondContact O-N 2.87Å; G140-P166 WeakPolarHBondContact O-CD 3.49Å
141Y98.6Very high96.6Very high57 Ų5750.1 Ų50.122%0.22428%0.279CS..  trans-137.2163.4176.956.2-88.2000111.1Q126 L129 V133 N144 F168Q126-Y141 PolarHBondContact NE2-OH 2.77Å; Q126-Y141 PolarHBondContact OE1-OH 2.68Å; L129-Y141 HydrophobicContact CB-CD1 4.26Å; L129-Y141 HydrophobicContact CB-CE1 3.67Å; L129-Y141 HydrophobicContact CD1-CE1 4.17Å; L129-Y141 HydrophobicContact CD1-CE2 3.71Å; L129-Y141 VanDerWaalsContact CD1-CZ 3.49Å; L129-Y141 WeakPolarHBondContact CD1-OH 3.41Å; L129-Y141 HydrophobicContact CD2-CD2 4.41Å; L129-Y141 HydrophobicContact CD2-CE1 4.47Å; L129-Y141 HydrophobicContact CD2-CE2 4.34Å; L129-Y141 HydrophobicContact CG-CE1 4.32Å; L129-Y141 HydrophobicContact CG-CE2 4.46Å; V133-Y141 HydrophobicContact CG2-CD1 3.66Å; V133-Y141 HydrophobicContact CG2-CE1 4.23Å; Y141-N144 HydrophobicContact CD2-CB 4.4Å; Y141-N144 HydrophobicContact CE2-CB 4.05Å; Y141-F168 HydrophobicContact CD2-CD2 4.37Å; Y141-F168 AromaticContact CG-CD2 3.98Å; Y141-F168 HydrophobicContact CG-CD2 3.98Å; Y141-F168 HydrophobicContact CG-CE2 4.12Å
142L98.6Very high96.5Very high24 Ų2446.8 Ų46.813%0.12626%0.264CS..EExtended strand (participates in β ladder)trans-119.2165.6169.5-59.5172.2000109.3L156 E159 H160 K165 P166 I167 F168L142-L156 HydrophobicContact CB-CD1 4.15Å; L142-L156 HydrophobicContact CD1-CB 4.48Å; L142-E159 HydrophobicContact CD1-CB 4.02Å; L142-E159 HydrophobicContact CD1-CG 3.89Å; L142-E159 HydrophobicContact CD2-CG 3.98Å; L142-H160 HydrophobicContact CD1-CB 3.96Å; L142-K165 HydrophobicContact CD1-CB 4.33Å; L142-K165 HydrophobicContact CD2-CD 4.21Å; L142-K165 HydrophobicContact CG-CB 3.91Å; L142-K165 HydrophobicContact CG-CD 4.41Å; L142-P166 PolarHBondContact N-O 2.76Å; L142-I167 HydrophobicContact CB-CG1 4.31Å; L142-I167 HydrophobicContact CD1-CG1 4.42Å; L142-F168 PolarHBondContact O-N 2.83Å
143G97.5Very high96.5Very high32 Ų3247 Ų4733%0.3327%0.265SS..EExtended strand (participates in β ladder)trans85.7-109.9179.900000111.5F168G143-F168 CarbonylContact C-O 3.53Å; G143-F168 WeakPolarHBondContact CA-O 3.41Å
144N98.2Very high96.4Very high9 Ų948.8 Ų48.85%0.04827%0.273CS..EExtended strand (participates in β ladder)trans61.548.3-168-167.317.9000112.4N122 S123 F124 L129 Y141 F168N122-N144 WeakPolarHBondContact CA-ND2 3.33Å; N122-N144 WeakPolarHBondContact CA-O 3.27Å; N122-N144 PolarHBondContact N-O 2.9Å; S123-N144 PolarHBondContact N-O 3.49Å; S123-N144 PolarHBondContact N-OD1 3.22Å; S123-N144 VanDerWaalsContact N-OD1 3.11Å; F124-N144 WeakPolarHBondContact CB-OD1 3.26Å; F124-N144 HydrophobicContact CD2-CB 4.28Å; F124-N144 WeakPolarHBondContact CD2-OD1 3.36Å; F124-N144 PolarHBondContact N-OD1 3.09Å; L129-N144 WeakPolarHBondContact CD1-ND2 3.33Å; Y141-N144 HydrophobicContact CD2-CB 4.4Å; Y141-N144 HydrophobicContact CE2-CB 4.05Å; N144-F168 PolarHBondContact N-O 3.49Å
145C97.7Very high96.4Very high24 Ų2446.9 Ų46.916%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-151.5169.9-174.662.50000112.8H120 S123 Y169 T170H120-C145 CarbonylContact O-C 3.4Å; H120-C145 VanDerWaalsContact O-CA 3.28Å; H120-C145 WeakPolarHBondContact O-CA 3.48Å; H120-C145 VanDerWaalsContact O-CB 3.31Å; H120-C145 WeakPolarHBondContact O-CB 3.35Å; S123-C145 VanDerWaalsContact OG-C 3.23Å; S123-C145 WeakPolarHBondContact OG-CA 3.24Å; C145-Y169 CarbonylContact O-C 3.6Å; C145-Y169 VanDerWaalsContact O-CA 3.25Å; C145-Y169 WeakPolarHBondContact O-CA 3.23Å; C145-Y169 WeakPolarHBondContact O-CB 3.33Å; C145-T170 PolarHBondContact O-N 2.89Å
146H96.6Very high96.4Very high42 Ų4243.6 Ų43.619%0.19426%0.255CS..EExtended strand (participates in β ladder)trans-76.8130.7161-82.7-123000110.3F117 D119 H120 S123 T170 S171F117-H146 PolarHBondContact O-NE2 3.03Å; D119-H146 PolarHBondContact O-CD2 3.13Å; D119-H146 VanDerWaalsContact O-CD2 3.26Å; H120-H146 PolarHBondContact O-N 3.32Å; S123-H146 PolarHBondContact OG-N 2.92Å; H146-T170 WeakPolarHBondContact CA-O 3.43Å; H146-T170 WeakPolarHBondContact CD2-CG2 3.24Å; H146-T170 WeakPolarHBondContact NE2-CG2 3.44Å; H146-S171 PolarHBondContact CE1-O 2.83Å
147S95.1Very high96.5Very high23 Ų2342.8 Ų42.816%0.16125%0.248CC..  trans-160.8158.4170.3-176.70000112.1I152 Y169 T170S147-I152 PolarHBondContact OG-N 3.24Å; S147-Y169 WeakPolarHBondContact O-CD2 3.32Å; S147-T170 PolarHBondContact N-O 2.95Å; S147-T170 VanDerWaalsContact N-O 3.17Å
148S91.4Very high96.5Very high58 Ų5839.6 Ų39.641%0.40623%0.229SC..  trans-72.9151.716380.80000110.7T150 V151 I152S148-T150 PolarHBondContact O-N 3.49Å; S148-T150 PolarHBondContact OG-OG1 3.45Å; S148-V151 PolarHBondContact O-N 3.2Å; S148-V151 WeakPolarHBondContact OG-CB 3.25Å; S148-V151 WeakPolarHBondContact OG-CG2 3.41Å; S148-V151 PolarHBondContact OG-N 3.15Å; S148-I152 WeakPolarHBondContact O-CB 3.23Å; S148-I152 WeakPolarHBondContact O-CG2 3.37Å; S148-I152 PolarHBondContact O-N 3.25Å
149G89.2Confident96.5Very high6 Ų643 Ų436%0.06224%0.244CC..THydrogen-bonded Turntrans-67-13.8179.900000114.8L153G149-L153 WeakPolarHBondContact O-CD1 3.45Å; G149-L153 WeakPolarHBondContact O-CG 3.2Å
150T90.3Very high96.6Very high78 Ų7839.4 Ų39.448%0.47922%0.221SC..THydrogen-bonded Turntrans-89.9-45.9172.9460000111S148 I152 L153 D154S148-T150 PolarHBondContact O-N 3.49Å; S148-T150 PolarHBondContact OG-OG1 3.45Å; T150-I152 VanDerWaalsContact C-N 3.33Å; T150-I152 PolarHBondContact O-N 3.23Å; T150-L153 PolarHBondContact O-N 3.21Å; T150-D154 PolarHBondContact O-N 2.75Å; T150-D154 VanDerWaalsContact O-N 3.15Å
151V94.8Very high96.6Very high65 Ų6541.4 Ų41.439%0.39423%0.228SC..Hα-helixtrans-60.3-44.1179.1171.60000111.1S148 L153 D154 Q155S148-V151 PolarHBondContact O-N 3.2Å; S148-V151 WeakPolarHBondContact OG-CB 3.25Å; S148-V151 WeakPolarHBondContact OG-CG2 3.41Å; S148-V151 PolarHBondContact OG-N 3.15Å; V151-L153 VanDerWaalsContact C-N 3.29Å; V151-L153 PolarHBondContact O-N 3.5Å; V151-D154 PolarHBondContact O-N 3.22Å; V151-Q155 HydrophobicContact CG1-CG 4.33Å; V151-Q155 WeakPolarHBondContact O-CB 3.16Å; V151-Q155 VanDerWaalsContact O-CG 3.28Å; V151-Q155 WeakPolarHBondContact O-CG 3.49Å; V151-Q155 PolarHBondContact O-N 3.3Å
152I97.3Very high96.5Very high0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-66.6-32.9-177-158.168.8000112.3S147 S148 T150 L156 I167 Y169S147-I152 PolarHBondContact OG-N 3.24Å; S148-I152 WeakPolarHBondContact O-CB 3.23Å; S148-I152 WeakPolarHBondContact O-CG2 3.37Å; S148-I152 PolarHBondContact O-N 3.25Å; T150-I152 VanDerWaalsContact C-N 3.33Å; T150-I152 PolarHBondContact O-N 3.23Å; I152-L156 HydrophobicContact CD1-CD1 3.55Å; I152-L156 HydrophobicContact CD1-CG 4.37Å; I152-L156 HydrophobicContact CG1-CD1 4.02Å; I152-L156 WeakPolarHBondContact O-CB 3.25Å; I152-L156 PolarHBondContact O-N 2.72Å; I152-I167 HydrophobicContact CD1-CG2 4.3Å; I152-I167 HydrophobicContact CG1-CG2 3.45Å; I152-I167 VanDerWaalsContact CG1-CG2 3.45Å; I152-Y169 HydrophobicContact CG1-CD1 4.49Å; I152-Y169 HydrophobicContact CG1-CG 4.34Å; I152-Y169 HydrophobicContact CG2-CD1 4.19Å; I152-Y169 HydrophobicContact CG2-CD2 4.33Å; I152-Y169 HydrophobicContact CG2-CE1 4.09Å; I152-Y169 HydrophobicContact CG2-CE2 4.22Å; I152-Y169 HydrophobicContact CG2-CG 4.3Å
153L97.6Very high96.5Very high5 Ų546.6 Ų46.63%0.02625%0.254CS..Hα-helixtrans-71.4-44.3177.9-65.6-179.3000111.1G149 T150 V151 Q155 G157 I167 A179 F216 F224 R226G149-L153 WeakPolarHBondContact O-CD1 3.45Å; G149-L153 WeakPolarHBondContact O-CG 3.2Å; T150-L153 PolarHBondContact O-N 3.21Å; V151-L153 VanDerWaalsContact C-N 3.29Å; V151-L153 PolarHBondContact O-N 3.5Å; L153-Q155 VanDerWaalsContact C-N 3.26Å; L153-Q155 PolarHBondContact O-N 2.68Å; L153-G157 VanDerWaalsContact O-CA 3.23Å; L153-G157 WeakPolarHBondContact O-CA 3.28Å; L153-G157 PolarHBondContact O-N 3.1Å; L153-I167 HydrophobicContact CD2-CD1 4.33Å; L153-A179 HydrophobicContact CD2-CB 3.82Å; L153-F216 HydrophobicContact CD1-CB 3.71Å; L153-F216 HydrophobicContact CD1-CD1 4.33Å; L153-F216 HydrophobicContact CD1-CD2 4.43Å; L153-F216 HydrophobicContact CD1-CG 3.94Å; L153-F216 HydrophobicContact CD2-CB 4.24Å; L153-F216 HydrophobicContact CD2-CD1 3.26Å; L153-F216 HydrophobicContact CD2-CD2 4.07Å; L153-F216 HydrophobicContact CD2-CE1 3.4Å; L153-F216 HydrophobicContact CD2-CE2 4.19Å; L153-F216 HydrophobicContact CD2-CG 3.61Å; L153-F216 HydrophobicContact CD2-CZ 3.87Å; L153-F216 HydrophobicContact CG-CD1 4.42Å; L153-F216 HydrophobicContact CG-CG 4.37Å; L153-F224 HydrophobicContact CB-CB 4Å; L153-F224 HydrophobicContact CB-CD2 4.36Å; L153-F224 HydrophobicContact CB-CG 4.46Å; L153-F224 HydrophobicContact CD1-CB 4.47Å; L153-F224 WeakPolarHBondContact O-CD2 3.48Å; L153-F224 WeakPolarHBondContact O-CE2 3.27Å; L153-R226 HydrophobicContact CD1-CG 3.84Å
154D96.7Very high96.5Very high72 Ų7246.2 Ų46.239%0.38525%0.25SS..Hα-helixtrans-64.7-32.5176.3-78.3-18.5000112.4T150 V151 A221 G222T150-D154 PolarHBondContact O-N 2.75Å; T150-D154 VanDerWaalsContact O-N 3.15Å; V151-D154 PolarHBondContact O-N 3.22Å; D154-A221 WeakPolarHBondContact O-CB 3.31Å; D154-G222 PolarHBondContact OD1-N 3.36Å
155Q97.7Very high96.6Very high126 Ų12648.9 Ų48.959%0.58926%0.261SS*.Hα-helixtrans-77.7-41.3178.7-73.1175.5-14.500113.4V151 L153V151-Q155 HydrophobicContact CG1-CG 4.33Å; V151-Q155 WeakPolarHBondContact O-CB 3.16Å; V151-Q155 VanDerWaalsContact O-CG 3.28Å; V151-Q155 WeakPolarHBondContact O-CG 3.49Å; V151-Q155 PolarHBondContact O-N 3.3Å; L153-Q155 VanDerWaalsContact C-N 3.26Å; L153-Q155 PolarHBondContact O-N 2.68Å
156L98.5Very high96.6Very high38 Ų3847.7 Ų47.720%0.19925%0.254CS..Hα-helixtrans-123-7.6-165.8-60.7176.4000114.2L142 I152 E158 E159 H160 I167L142-L156 HydrophobicContact CB-CD1 4.15Å; L142-L156 HydrophobicContact CD1-CB 4.48Å; I152-L156 HydrophobicContact CD1-CD1 3.55Å; I152-L156 HydrophobicContact CD1-CG 4.37Å; I152-L156 HydrophobicContact CG1-CD1 4.02Å; I152-L156 WeakPolarHBondContact O-CB 3.25Å; I152-L156 PolarHBondContact O-N 2.72Å; L156-E158 PolarHBondContact O-N 2.59Å; L156-E159 PolarHBondContact O-N 3.11Å; L156-H160 VanDerWaalsContact O-CB 3.28Å; L156-H160 WeakPolarHBondContact O-CB 3.31Å; L156-H160 PolarHBondContact O-N 2.99Å; L156-I167 HydrophobicContact CB-CD1 3.81Å; L156-I167 HydrophobicContact CB-CG1 4.1Å; L156-I167 HydrophobicContact CB-CG2 4.49Å; L156-I167 HydrophobicContact CD1-CG2 4.01Å
157G98.3Very high96.7Very high0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-61.1-42.7-175.800000113.4L153 H160 M161L153-G157 VanDerWaalsContact O-CA 3.23Å; L153-G157 WeakPolarHBondContact O-CA 3.28Å; L153-G157 PolarHBondContact O-N 3.1Å; G157-H160 WeakPolarHBondContact O-CB 3.49Å; G157-H160 PolarHBondContact O-N 3.41Å; G157-M161 VanDerWaalsContact O-CG 3.24Å; G157-M161 WeakPolarHBondContact O-CG 3.49Å; G157-M161 PolarHBondContact O-N 2.82Å
158E98.3Very high96.9Very high72 Ų7244.6 Ų44.634%0.33624%0.237SC..Hα-helixtrans-67.3-39.7176.7-71.8-174.3-146.400112.6L156 M161 K162 K220 A221 F224L156-E158 PolarHBondContact O-N 2.59Å; E158-M161 PolarHBondContact O-N 2.96Å; E158-K162 VanDerWaalsContact O-CG 3.26Å; E158-K162 WeakPolarHBondContact O-CG 3.38Å; E158-K162 PolarHBondContact O-N 2.93Å; E158-K162 IonicContact OE2-NZ 3.59Å; E158-K220 HydrophobicContact CG-CB 4.45Å; E158-K220 WeakPolarHBondContact OE1-CB 3.44Å; E158-A221 PolarHBondContact OE1-N 2.89Å; E158-F224 HydrophobicContact CG-CE2 4.17Å; E158-F224 HydrophobicContact CG-CZ 3.92Å
159E98.6Very high97.2Very high85 Ų8541.9 Ų41.940%0.39722%0.218SC..Hα-helixtrans-69.6-38.5178-17562.5-16900111.1L142 L156 K162 T163L142-E159 HydrophobicContact CD1-CB 4.02Å; L142-E159 HydrophobicContact CD1-CG 3.89Å; L142-E159 HydrophobicContact CD2-CG 3.98Å; L156-E159 PolarHBondContact O-N 3.11Å; E159-K162 PolarHBondContact O-N 3.05Å; E159-T163 HydrophobicContact CG-CG2 4.25Å; E159-T163 WeakPolarHBondContact O-CB 3.47Å; E159-T163 WeakPolarHBondContact O-CG2 3.34Å; E159-T163 PolarHBondContact O-N 3.18Å; E159-T163 PolarHBondContact O-OG1 3.48Å; E159-T163 WeakPolarHBondContact OE1-CG2 3.31Å
160H98.6Very high97.6Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-55.5-50.6170.2166.172.5000110.9L142 L156 G157 K162 T163 G164 K165 I167 C180 H181 F185 F216L142-H160 HydrophobicContact CD1-CB 3.96Å; L156-H160 VanDerWaalsContact O-CB 3.28Å; L156-H160 WeakPolarHBondContact O-CB 3.31Å; L156-H160 PolarHBondContact O-N 2.99Å; G157-H160 WeakPolarHBondContact O-CB 3.49Å; G157-H160 PolarHBondContact O-N 3.41Å; H160-K162 VanDerWaalsContact C-N 3.31Å; H160-K162 PolarHBondContact O-N 3.12Å; H160-T163 PolarHBondContact O-N 3.49Å; H160-G164 WeakPolarHBondContact O-CA 3.4Å; H160-G164 PolarHBondContact O-N 2.65Å; H160-K165 PolarHBondContact ND1-O 3.4Å; H160-I167 HydrophobicContact CB-CD1 3.84Å; H160-I167 HydrophobicContact CB-CG1 3.89Å; H160-C180 WeakPolarHBondContact NE2-CA 3.27Å; H160-H181 PolarHBondContact NE2-N 2.88Å; H160-F185 AromaticContact CE1-CD2 3.77Å; H160-F216 AromaticContact CD2-CZ 3.68Å
161M98.3Very high97.6Very high54 Ų5439.3 Ų39.327%0.26620%0.202SC..Hα-helixtrans-63.2-34.9179.2-69.5168.975.200112.9G157 E158 H181 T184 F224G157-M161 VanDerWaalsContact O-CG 3.24Å; G157-M161 WeakPolarHBondContact O-CG 3.49Å; G157-M161 PolarHBondContact O-N 2.82Å; E158-M161 PolarHBondContact O-N 2.96Å; M161-H181 HydrophobicContact CG-CB 4.06Å; M161-T184 HydrophobicContact CB-CG2 4.33Å; M161-T184 HydrophobicContact CE-CG2 4.13Å; M161-T184 HydrophobicContact CG-CG2 4.22Å; M161-F224 HydrophobicContact SD-CE1 3.58Å; M161-F224 VanDerWaalsContact SD-CE1 3.58Å; M161-F224 HydrophobicContact SD-CZ 3.87Å
162K98.1Very high97Very high146 Ų14640.2 Ų40.264%0.63522%0.216SC*.Hα-helixtrans-74.4-37.8178.5-72.6166.4-168.2162.10113E158 E159 H160E158-K162 VanDerWaalsContact O-CG 3.26Å; E158-K162 WeakPolarHBondContact O-CG 3.38Å; E158-K162 PolarHBondContact O-N 2.93Å; E158-K162 IonicContact OE2-NZ 3.59Å; E159-K162 PolarHBondContact O-N 3.05Å; H160-K162 VanDerWaalsContact C-N 3.31Å; H160-K162 PolarHBondContact O-N 3.12Å
163T98.3Very high96.4Very high43 Ų4344.5 Ų44.526%0.26424%0.239SC..Hα-helixtrans-101.6-20.3-170.661.10000114.3P139 E159 H160 K165P139-T163 WeakPolarHBondContact CG-O 3.42Å; E159-T163 HydrophobicContact CG-CG2 4.25Å; E159-T163 WeakPolarHBondContact O-CB 3.47Å; E159-T163 WeakPolarHBondContact O-CG2 3.34Å; E159-T163 PolarHBondContact O-N 3.18Å; E159-T163 PolarHBondContact O-OG1 3.48Å; E159-T163 WeakPolarHBondContact OE1-CG2 3.31Å; H160-T163 PolarHBondContact O-N 3.49Å; T163-K165 PolarHBondContact O-N 3.3Å; T163-K165 WeakPolarHBondContact OG1-CB 3.41Å; T163-K165 PolarHBondContact OG1-N 3.28Å
164G97.8Very high96.1Very high25 Ų2544.8 Ų44.826%0.25824%0.241SC..  trans71.48.9-170.800000114.2H160 F185H160-G164 WeakPolarHBondContact O-CA 3.4Å; H160-G164 PolarHBondContact O-N 2.65Å; G164-F185 WeakPolarHBondContact O-CE2 3.15Å
165K98.8Very high96.1Very high64 Ų6441.5 Ų41.528%0.27822%0.224SC..  trans-80.7122.4178-67.7176.9179.5178.20110.3P139 L142 H160 T163P139-K165 HydrophobicContact CB-CG 4.25Å; P139-K165 HydrophobicContact CG-CG 3.83Å; P139-K165 WeakPolarHBondContact O-CE 3.48Å; L142-K165 HydrophobicContact CD1-CB 4.33Å; L142-K165 HydrophobicContact CD2-CD 4.21Å; L142-K165 HydrophobicContact CG-CB 3.91Å; L142-K165 HydrophobicContact CG-CD 4.41Å; H160-K165 PolarHBondContact ND1-O 3.4Å; T163-K165 PolarHBondContact O-N 3.3Å; T163-K165 WeakPolarHBondContact OG1-CB 3.41Å; T163-K165 PolarHBondContact OG1-N 3.28Å
166P98.7Very high96.1Very high0 Ų035.5 Ų35.50%020%0.196CC..  trans-62.2154.8176.328.6-36.8000111.9L138 G140 L142 F168 I178 C180 F185 L193L138-P166 HydrophobicContact CD1-CG 3.64Å; L138-P166 HydrophobicContact CD2-CG 4.1Å; L138-P166 HydrophobicContact CG-CG 4.4Å; G140-P166 WeakPolarHBondContact O-CD 3.49Å; L142-P166 PolarHBondContact N-O 2.76Å; P166-F168 HydrophobicContact CB-CD1 4.37Å; P166-F168 HydrophobicContact CB-CE1 3.8Å; P166-F168 HydrophobicContact CB-CZ 4.39Å; P166-F168 HydrophobicContact CG-CD1 4.49Å; P166-F168 HydrophobicContact CG-CE1 3.66Å; P166-F168 HydrophobicContact CG-CZ 3.73Å; P166-I178 HydrophobicContact CB-CG2 4.09Å; P166-C180 VanDerWaalsContact CB-SG 3.54Å; P166-F185 HydrophobicContact CB-CE2 4.3Å; P166-F185 HydrophobicContact CB-CZ 4.35Å; P166-F185 HydrophobicContact CG-CE2 4.48Å; P166-L193 HydrophobicContact CB-CD2 3.77Å; P166-L193 HydrophobicContact CG-CD2 3.76Å
167I98.8Very high96.1Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-97.7112.1177.8-56.1169.2000108.7L142 I152 L153 L156 H160 Y169 I178 A179 F216L142-I167 HydrophobicContact CB-CG1 4.31Å; L142-I167 HydrophobicContact CD1-CG1 4.42Å; I152-I167 HydrophobicContact CD1-CG2 4.3Å; I152-I167 HydrophobicContact CG1-CG2 3.45Å; I152-I167 VanDerWaalsContact CG1-CG2 3.45Å; L153-I167 HydrophobicContact CD2-CD1 4.33Å; L156-I167 HydrophobicContact CB-CD1 3.81Å; L156-I167 HydrophobicContact CB-CG1 4.1Å; L156-I167 HydrophobicContact CB-CG2 4.49Å; L156-I167 HydrophobicContact CD1-CG2 4.01Å; H160-I167 HydrophobicContact CB-CD1 3.84Å; H160-I167 HydrophobicContact CB-CG1 3.89Å; I167-Y169 HydrophobicContact CG2-CD1 4.33Å; I167-I178 WeakPolarHBondContact O-CA 3.37Å; I167-A179 HydrophobicContact CB-CB 3.99Å; I167-A179 WeakPolarHBondContact CB-O 3.24Å; I167-A179 HydrophobicContact CD1-CB 4.39Å; I167-A179 HydrophobicContact CG2-CB 4.44Å; I167-A179 PolarHBondContact N-O 3.41Å; I167-A179 PolarHBondContact O-N 3.42Å; I167-F216 HydrophobicContact CD1-CE1 4.34Å; I167-F216 HydrophobicContact CD1-CZ 4.46Å
168F98.7Very high96.1Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-97.3129.8174.7-58.8-25.6000110.4F124 L129 L132 L138 Y141 L142 G143 N144 P166 F176 Q177 I178 L193F124-F168 HydrophobicContact CD2-CB 4.17Å; F124-F168 HydrophobicContact CE2-CB 3.68Å; L129-F168 HydrophobicContact CD2-CD2 3.67Å; L129-F168 HydrophobicContact CD2-CE2 4.14Å; L132-F168 HydrophobicContact CB-CE2 4.39Å; L132-F168 HydrophobicContact CB-CZ 4.43Å; L132-F168 HydrophobicContact CD1-CE2 3.91Å; L132-F168 HydrophobicContact CD1-CZ 4.08Å; L138-F168 HydrophobicContact CD1-CZ 4.02Å; Y141-F168 HydrophobicContact CD2-CD2 4.37Å; Y141-F168 AromaticContact CG-CD2 3.98Å; Y141-F168 HydrophobicContact CG-CD2 3.98Å; Y141-F168 HydrophobicContact CG-CE2 4.12Å; L142-F168 PolarHBondContact O-N 2.83Å; G143-F168 CarbonylContact C-O 3.53Å; G143-F168 WeakPolarHBondContact CA-O 3.41Å; N144-F168 PolarHBondContact N-O 3.49Å; P166-F168 HydrophobicContact CB-CD1 4.37Å; P166-F168 HydrophobicContact CB-CE1 3.8Å; P166-F168 HydrophobicContact CB-CZ 4.39Å; P166-F168 HydrophobicContact CG-CD1 4.49Å; P166-F168 HydrophobicContact CG-CE1 3.66Å; P166-F168 HydrophobicContact CG-CZ 3.73Å; F168-F176 HydrophobicContact CB-CE1 4.44Å; F168-F176 HydrophobicContact CB-CZ 3.99Å; F168-F176 AromaticContact CD1-CE1 3.89Å; F168-F176 HydrophobicContact CD1-CE1 3.89Å; F168-F176 HydrophobicContact CD1-CZ 4.01Å; F168-F176 AromaticContact CD2-CZ 3.89Å; F168-F176 HydrophobicContact CD2-CZ 3.89Å; F168-F176 HydrophobicContact CE1-CE1 4.24Å; F168-F176 HydrophobicContact CE1-CZ 4.44Å; F168-F176 HydrophobicContact CE2-CZ 4.34Å; F168-F176 HydrophobicContact CG-CE1 4.07Å; F168-F176 AromaticContact CG-CZ 3.71Å; F168-F176 HydrophobicContact CG-CZ 3.71Å; F168-Q177 WeakPolarHBondContact CA-O 3.26Å; F168-I178 HydrophobicContact CD1-CB 4.37Å; F168-I178 HydrophobicContact CD1-CG1 3.84Å; F168-I178 HydrophobicContact CD1-CG2 4.05Å; F168-I178 HydrophobicContact CE1-CB 4.49Å; F168-I178 HydrophobicContact CE1-CD1 4.36Å; F168-I178 HydrophobicContact CE1-CG1 3.91Å; F168-I178 HydrophobicContact CE1-CG2 3.86Å; F168-L193 HydrophobicContact CE1-CD2 4.04Å; F168-L193 HydrophobicContact CZ-CD1 4.44Å; F168-L193 HydrophobicContact CZ-CD2 4.38Å
169Y98.4Very high96.1Very high1 Ų131 Ų310%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-154.9162.2178.469.6-72.9000111.6C145 S147 I152 I167 Q177 A179 R214C145-Y169 CarbonylContact O-C 3.6Å; C145-Y169 VanDerWaalsContact O-CA 3.25Å; C145-Y169 WeakPolarHBondContact O-CA 3.23Å; C145-Y169 WeakPolarHBondContact O-CB 3.33Å; S147-Y169 WeakPolarHBondContact O-CD2 3.32Å; I152-Y169 HydrophobicContact CG1-CD1 4.49Å; I152-Y169 HydrophobicContact CG1-CG 4.34Å; I152-Y169 HydrophobicContact CG2-CD1 4.19Å; I152-Y169 HydrophobicContact CG2-CD2 4.33Å; I152-Y169 HydrophobicContact CG2-CE1 4.09Å; I152-Y169 HydrophobicContact CG2-CE2 4.22Å; I152-Y169 HydrophobicContact CG2-CG 4.3Å; I167-Y169 HydrophobicContact CG2-CD1 4.33Å; Y169-Q177 HydrophobicContact CD1-CB 3.86Å; Y169-Q177 HydrophobicContact CD2-CB 4.19Å; Y169-Q177 HydrophobicContact CE1-CB 3.54Å; Y169-Q177 HydrophobicContact CE2-CB 3.92Å; Y169-Q177 HydrophobicContact CE2-CG 4.35Å; Y169-Q177 VanDerWaalsContact CE2-NE2 3.29Å; Y169-Q177 HydrophobicContact CG-CB 4.18Å; Y169-Q177 PolarHBondContact N-O 3.09Å; Y169-Q177 WeakPolarHBondContact O-CA 3.49Å; Y169-Q177 VanDerWaalsContact O-CB 3.26Å; Y169-Q177 WeakPolarHBondContact O-CB 3.42Å; Y169-Q177 PolarHBondContact O-N 2.65Å; Y169-A179 HydrophobicContact CE1-CB 3.8Å; Y169-R214 HydrophobicContact CE1-CG 4.47Å; Y169-R214 WeakPolarHBondContact OH-CD 3.13Å; Y169-R214 VanDerWaalsContact OH-CG 3.25Å; Y169-R214 WeakPolarHBondContact OH-CG 3.42Å
170T97Very high96.1Very high0 Ų027.1 Ų27.10%016%0.156CC..EExtended strand (participates in β ladder)trans-135.3-178.1-179.6-167.90000111.1F117 F124 C145 H146 S147 V175F117-T170 HydrophobicContact CB-CG2 3.91Å; F124-T170 HydrophobicContact CE1-CG2 4.28Å; F124-T170 HydrophobicContact CZ-CG2 4.29Å; C145-T170 PolarHBondContact O-N 2.89Å; H146-T170 WeakPolarHBondContact CA-O 3.43Å; H146-T170 WeakPolarHBondContact CD2-CG2 3.24Å; H146-T170 WeakPolarHBondContact NE2-CG2 3.44Å; S147-T170 PolarHBondContact N-O 2.95Å; S147-T170 VanDerWaalsContact N-O 3.17Å; T170-V175 WeakPolarHBondContact CB-O 3.46Å; T170-V175 PolarHBondContact OG1-O 3.06Å
171S90.1Very high96.1Very high29 Ų2927.3 Ų27.320%0.20316%0.157CC..  trans-137.9-169.3175.5610000109.2H146 D173 V175H146-S171 PolarHBondContact CE1-O 2.83Å; S171-D173 PolarHBondContact O-N 3.04Å; S171-D173 PolarHBondContact OG-N 2.67Å; S171-D173 PolarHBondContact OG-OD2 2.92Å; S171-D173 VanDerWaalsContact OG-OD2 3.1Å; S171-V175 WeakPolarHBondContact OG-CG2 3.29Å
172A82.9Confident96.1Very high84 Ų8427 Ų2769%0.69416%0.155SC*.SBendtrans-64.3-16.6171.800000113.5Y116Y116-A172 WeakPolarHBondContact CD1-O 3.44Å
173D84.9Confident96.1Very high90 Ų9028.1 Ų28.148%0.48116%0.162SC..SBendtrans-81.9162.4-179.9-53.2-60.7000111.9S171 V175S171-D173 PolarHBondContact O-N 3.04Å; S171-D173 PolarHBondContact OG-N 2.67Å; S171-D173 PolarHBondContact OG-OD2 2.92Å; S171-D173 VanDerWaalsContact OG-OD2 3.1Å; D173-V175 HydrophobicContact CB-CG1 3.82Å; D173-V175 HydrophobicContact CB-CG2 4.22Å; D173-V175 PolarHBondContact O-N 3.29Å
174S91.6Very high96Very high11 Ų1129.4 Ų29.48%0.07717%0.17CC..SBendtrans-7275.1170.9-171.70000111.3G115 I208 G209 R210G115-S174 VanDerWaalsContact O-CB 3.31Å; G115-S174 WeakPolarHBondContact O-CB 3.13Å; G115-S174 PolarHBondContact O-OG 2.98Å; S174-I208 WeakPolarHBondContact OG-CA 3.48Å; S174-G209 PolarHBondContact O-N 2.83Å; S174-G209 PolarHBondContact OG-N 3.12Å; S174-R210 PolarHBondContact O-N 3.22Å
175V95.2Very high96Very high4 Ų429 Ų292%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-138.8147.7-174.6-57.60000113.9T170 S171 D173 Q177 R210 I212T170-V175 WeakPolarHBondContact CB-O 3.46Å; T170-V175 PolarHBondContact OG1-O 3.06Å; S171-V175 WeakPolarHBondContact OG-CG2 3.29Å; D173-V175 HydrophobicContact CB-CG1 3.82Å; D173-V175 HydrophobicContact CB-CG2 4.22Å; D173-V175 PolarHBondContact O-N 3.29Å; V175-Q177 HydrophobicContact CB-CG 4.32Å; V175-Q177 HydrophobicContact CG2-CG 4Å; V175-R210 CarbonylContact C-O 3.59Å; V175-R210 VanDerWaalsContact CA-O 3.27Å; V175-R210 WeakPolarHBondContact CA-O 3.27Å; V175-R210 HydrophobicContact CG1-CB 4.21Å; V175-I212 HydrophobicContact CB-CD1 4.31Å; V175-I212 HydrophobicContact CG1-CD1 3.98Å
176F98.2Very high96Very high0 Ų027.1 Ų27.10%016%0.16CC..EExtended strand (participates in β ladder)trans-119.2114.7163.7-171.2-82.3000108.4F117 F124 L128 L132 F168 I178 A197 L201 I208 R210 V211 I212F117-F176 HydrophobicContact CE2-CB 4.36Å; F117-F176 AromaticContact CE2-CD2 3.93Å; F117-F176 HydrophobicContact CE2-CD2 3.93Å; F117-F176 HydrophobicContact CZ-CD2 4.35Å; F124-F176 HydrophobicContact CB-CE2 4.46Å; F124-F176 AromaticContact CD1-CD2 3.55Å; F124-F176 HydrophobicContact CD1-CD2 3.55Å; F124-F176 AromaticContact CD1-CE2 3.52Å; F124-F176 HydrophobicContact CD1-CE2 3.52Å; F124-F176 AromaticContact CD2-CE2 3.91Å; F124-F176 HydrophobicContact CD2-CE2 3.91Å; F124-F176 AromaticContact CE1-CD2 3.29Å; F124-F176 HydrophobicContact CE1-CD2 3.29Å; F124-F176 AromaticContact CE1-CE2 3.56Å; F124-F176 HydrophobicContact CE1-CE2 3.56Å; F124-F176 HydrophobicContact CE1-CG 4.24Å; F124-F176 HydrophobicContact CE2-CD2 4.42Å; F124-F176 AromaticContact CE2-CE2 3.97Å; F124-F176 HydrophobicContact CE2-CE2 3.97Å; F124-F176 HydrophobicContact CE2-CZ 4.5Å; F124-F176 HydrophobicContact CG-CD2 4.22Å; F124-F176 AromaticContact CG-CE2 3.69Å; F124-F176 HydrophobicContact CG-CE2 3.69Å; F124-F176 AromaticContact CZ-CD2 3.77Å; F124-F176 HydrophobicContact CZ-CD2 3.77Å; F124-F176 AromaticContact CZ-CE2 3.78Å; F124-F176 HydrophobicContact CZ-CE2 3.78Å; L128-F176 HydrophobicContact CD2-CD2 4.49Å; L128-F176 HydrophobicContact CD2-CE2 4.2Å; L132-F176 HydrophobicContact CD1-CE1 4.08Å; L132-F176 HydrophobicContact CD1-CE2 4.29Å; L132-F176 HydrophobicContact CD1-CZ 3.55Å; F168-F176 HydrophobicContact CB-CE1 4.44Å; F168-F176 HydrophobicContact CB-CZ 3.99Å; F168-F176 AromaticContact CD1-CE1 3.89Å; F168-F176 HydrophobicContact CD1-CE1 3.89Å; F168-F176 HydrophobicContact CD1-CZ 4.01Å; F168-F176 AromaticContact CD2-CZ 3.89Å; F168-F176 HydrophobicContact CD2-CZ 3.89Å; F168-F176 HydrophobicContact CE1-CE1 4.24Å; F168-F176 HydrophobicContact CE1-CZ 4.44Å; F168-F176 HydrophobicContact CE2-CZ 4.34Å; F168-F176 HydrophobicContact CG-CE1 4.07Å; F168-F176 AromaticContact CG-CZ 3.71Å; F168-F176 HydrophobicContact CG-CZ 3.71Å; F176-I178 HydrophobicContact CD1-CD1 4.05Å; F176-I178 HydrophobicContact CD1-CG1 3.77Å; F176-I178 HydrophobicContact CE1-CD1 3.84Å; F176-I178 HydrophobicContact CE1-CG1 3.53Å; F176-A197 HydrophobicContact CD1-CB 4.29Å; F176-A197 HydrophobicContact CE1-CB 4.26Å; F176-L201 HydrophobicContact CB-CD1 3.76Å; F176-L201 HydrophobicContact CD2-CD1 4.5Å; F176-L201 HydrophobicContact CG-CD1 4.15Å; F176-I208 HydrophobicContact CB-CG2 4.43Å; F176-R210 PolarHBondContact N-O 3.32Å; F176-V211 HydrophobicContact CB-CG2 4.28Å; F176-V211 CarbonylContact O-C 3.56Å; F176-V211 VanDerWaalsContact O-CA 3.25Å; F176-V211 WeakPolarHBondContact O-CA 3.3Å; F176-I212 PolarHBondContact O-N 3.4Å
177Q98.6Very high95.9Very high16 Ų1629.1 Ų29.18%0.07517%0.17CC..EExtended strand (participates in β ladder)trans-108.9136.5-174.9-54.5-176.187.900110.7F168 Y169 V175 I212 R214F168-Q177 WeakPolarHBondContact CA-O 3.26Å; Y169-Q177 HydrophobicContact CD1-CB 3.86Å; Y169-Q177 HydrophobicContact CD2-CB 4.19Å; Y169-Q177 HydrophobicContact CE1-CB 3.54Å; Y169-Q177 HydrophobicContact CE2-CB 3.92Å; Y169-Q177 HydrophobicContact CE2-CG 4.35Å; Y169-Q177 VanDerWaalsContact CE2-NE2 3.29Å; Y169-Q177 HydrophobicContact CG-CB 4.18Å; Y169-Q177 PolarHBondContact N-O 3.09Å; Y169-Q177 WeakPolarHBondContact O-CA 3.49Å; Y169-Q177 VanDerWaalsContact O-CB 3.26Å; Y169-Q177 WeakPolarHBondContact O-CB 3.42Å; Y169-Q177 PolarHBondContact O-N 2.65Å; V175-Q177 HydrophobicContact CB-CG 4.32Å; V175-Q177 HydrophobicContact CG2-CG 4Å; Q177-I212 WeakPolarHBondContact CA-O 3.44Å; Q177-I212 HydrophobicContact CG-CB 4.24Å; Q177-I212 HydrophobicContact CG-CD1 4.34Å; Q177-R214 HydrophobicContact CB-CG 4.38Å; Q177-R214 VanDerWaalsContact OE1-NH2 3.15Å
178I98.7Very high95.9Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-122.6111.8-178.9-56164.2000108.6P166 I167 F168 F176 L190 L193 C194 A197 V211 I212 R214P166-I178 HydrophobicContact CB-CG2 4.09Å; I167-I178 WeakPolarHBondContact O-CA 3.37Å; F168-I178 HydrophobicContact CD1-CB 4.37Å; F168-I178 HydrophobicContact CD1-CG1 3.84Å; F168-I178 HydrophobicContact CD1-CG2 4.05Å; F168-I178 HydrophobicContact CE1-CB 4.49Å; F168-I178 HydrophobicContact CE1-CD1 4.36Å; F168-I178 HydrophobicContact CE1-CG1 3.91Å; F168-I178 HydrophobicContact CE1-CG2 3.86Å; F176-I178 HydrophobicContact CD1-CD1 4.05Å; F176-I178 HydrophobicContact CD1-CG1 3.77Å; F176-I178 HydrophobicContact CE1-CD1 3.84Å; F176-I178 HydrophobicContact CE1-CG1 3.53Å; I178-L190 HydrophobicContact CB-CD1 3.9Å; I178-L190 HydrophobicContact CG2-CD1 3.47Å; I178-L190 VanDerWaalsContact CG2-CD1 3.47Å; I178-L193 HydrophobicContact CD1-CG 4.02Å; I178-L193 HydrophobicContact CG2-CD2 3.85Å; I178-L193 HydrophobicContact CG2-CG 4.43Å; I178-C194 HydrophobicContact CD1-CB 4.38Å; I178-C194 VanDerWaalsContact CD1-SG 3.58Å; I178-A197 HydrophobicContact CD1-CB 3.97Å; I178-V211 HydrophobicContact CD1-CG1 4.07Å; I178-I212 PolarHBondContact N-O 3.02Å; I178-R214 WeakPolarHBondContact O-CB 3.26Å; I178-R214 PolarHBondContact O-N 3.09Å
179A98.6Very high95.8Very high0 Ų039.2 Ų39.20%022%0.221CC..EExtended strand (participates in β ladder)trans-100.6125.9175.200000111.4L153 I167 Y169 R214 F216L153-A179 HydrophobicContact CD2-CB 3.82Å; I167-A179 HydrophobicContact CB-CB 3.99Å; I167-A179 WeakPolarHBondContact CB-O 3.24Å; I167-A179 HydrophobicContact CD1-CB 4.39Å; I167-A179 HydrophobicContact CG2-CB 4.44Å; I167-A179 PolarHBondContact N-O 3.41Å; I167-A179 PolarHBondContact O-N 3.42Å; Y169-A179 HydrophobicContact CE1-CB 3.8Å; A179-R214 WeakPolarHBondContact CA-O 3.28Å; A179-R214 HydrophobicContact CB-CB 4.1Å; A179-F216 HydrophobicContact CB-CD1 4.37Å; A179-F216 HydrophobicContact CB-CE1 4.36Å
180C98.7Very high95.8Very high2 Ų239.3 Ų39.31%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-140.5144.4175.7-670000110.9H160 P166 F185 L190 P215 F216H160-C180 WeakPolarHBondContact NE2-CA 3.27Å; P166-C180 VanDerWaalsContact CB-SG 3.54Å; C180-F185 HydrophobicContact CB-CB 3.78Å; C180-F185 HydrophobicContact CB-CD1 3.6Å; C180-F185 HydrophobicContact CB-CD2 4.49Å; C180-F185 HydrophobicContact CB-CE1 4.31Å; C180-F185 HydrophobicContact CB-CG 3.7Å; C180-F185 VanDerWaalsContact SG-CD1 3.51Å; C180-L190 HydrophobicContact CB-CB 4.32Å; C180-L190 HydrophobicContact CB-CD1 4.13Å; C180-L190 HydrophobicContact CB-CD2 4.26Å; C180-L190 HydrophobicContact CB-CG 4.47Å; C180-P215 WeakPolarHBondContact O-CA 3.21Å; C180-F216 VanDerWaalsContact O-CD1 3.23Å; C180-F216 WeakPolarHBondContact O-CD1 3.32Å; C180-F216 PolarHBondContact O-N 3.29Å; C180-F216 VanDerWaalsContact O-N 3.11Å
181H98.5Very high95.9Very high5 Ų542.3 Ų42.32%0.02323%0.233CC..EExtended strand (participates in β ladder)trans-77.3131.2176.3-175.2-84.4000109.9H160 M161 E183 T184 F185 F216 I217 G218H160-H181 PolarHBondContact NE2-N 2.88Å; M161-H181 HydrophobicContact CG-CB 4.06Å; H181-E183 VanDerWaalsContact C-N 3.32Å; H181-E183 IonicContact CE1-OE2 3.2Å; H181-E183 PolarHBondContact ND1-N 3.32Å; H181-E183 PolarHBondContact O-N 3.26Å; H181-T184 WeakPolarHBondContact CB-OG1 3.39Å; H181-T184 PolarHBondContact O-N 3.28Å; H181-F185 WeakPolarHBondContact O-CB 3.45Å; H181-F185 PolarHBondContact O-N 2.92Å; H181-F216 CarbonylContact C-O 3.58Å; H181-F216 VanDerWaalsContact CA-O 3.28Å; H181-F216 WeakPolarHBondContact CA-O 3.26Å; H181-F216 HydrophobicContact CB-CD2 4.23Å; H181-F216 HydrophobicContact CB-CE1 4.11Å; H181-F216 HydrophobicContact CB-CE2 3.72Å; H181-F216 HydrophobicContact CB-CZ 3.66Å; H181-F216 AromaticContact CD2-CD2 3.78Å; H181-F216 AromaticContact CD2-CE2 3.69Å; H181-I217 WeakPolarHBondContact NE2-CA 3.11Å; H181-G218 PolarHBondContact CD2-O 3.12Å; H181-G218 PolarHBondContact NE2-N 3.14Å; H181-G218 PolarHBondContact NE2-O 3.01Å
182E98.3Very high96.3Very high47 Ų4747 Ų4722%0.2225%0.252CS..THydrogen-bonded Turntrans-60.3-39.3-170.5-68.5-168.3174.900113G186 P215 F216 I217 T227 N229E182-G186 WeakPolarHBondContact O-CA 3.27Å; E182-G186 PolarHBondContact O-N 2.78Å; E182-G186 VanDerWaalsContact O-N 3.16Å; E182-P215 HydrophobicContact CG-CB 3.73Å; E182-P215 WeakPolarHBondContact OE1-CB 3.43Å; E182-F216 PolarHBondContact N-O 2.83Å; E182-I217 HydrophobicContact CB-CG2 4.3Å; E182-I217 HydrophobicContact CG-CG2 4.33Å; E182-T227 HydrophobicContact CG-CG2 4.43Å; E182-T227 VanDerWaalsContact OE1-CB 3.27Å; E182-T227 WeakPolarHBondContact OE1-CB 3.38Å; E182-T227 VanDerWaalsContact OE1-CG2 3.24Å; E182-T227 WeakPolarHBondContact OE1-CG2 3.04Å; E182-T227 PolarHBondContact OE1-OG1 3.47Å; E182-N229 PolarHBondContact OE1-ND2 3.35Å
183E96.8Very high97Very high169 Ų16943.1 Ų43.179%0.7922%0.219SC*.THydrogen-bonded Turntrans-84.4-32.8-175-56.9-178.9166.700114H181H181-E183 VanDerWaalsContact C-N 3.32Å; H181-E183 IonicContact CE1-OE2 3.2Å; H181-E183 PolarHBondContact ND1-N 3.32Å; H181-E183 PolarHBondContact O-N 3.26Å
184T97.2Very high97.7Very high71 Ų7138.9 Ų38.944%0.43620%0.196SC..THydrogen-bonded Turntrans-95.5-26.5-172.856.50000112.4M161 H181M161-T184 HydrophobicContact CB-CG2 4.33Å; M161-T184 HydrophobicContact CE-CG2 4.13Å; M161-T184 HydrophobicContact CG-CG2 4.22Å; H181-T184 WeakPolarHBondContact CB-OG1 3.39Å; H181-T184 PolarHBondContact O-N 3.28Å
185F98.2Very high98Very high17 Ų1742.3 Ų42.38%0.07521%0.212CC..THydrogen-bonded Turntrans-103.9-35.3175.4-167.3-92.6000112.8L138 H160 G164 P166 C180 H181 K189 L190 L193L138-F185 HydrophobicContact CD2-CE2 4.26Å; L138-F185 HydrophobicContact CD2-CZ 4.01Å; H160-F185 AromaticContact CE1-CD2 3.77Å; G164-F185 WeakPolarHBondContact O-CE2 3.15Å; P166-F185 HydrophobicContact CB-CE2 4.3Å; P166-F185 HydrophobicContact CB-CZ 4.35Å; P166-F185 HydrophobicContact CG-CE2 4.48Å; C180-F185 HydrophobicContact CB-CB 3.78Å; C180-F185 HydrophobicContact CB-CD1 3.6Å; C180-F185 HydrophobicContact CB-CD2 4.49Å; C180-F185 HydrophobicContact CB-CE1 4.31Å; C180-F185 HydrophobicContact CB-CG 3.7Å; C180-F185 VanDerWaalsContact SG-CD1 3.51Å; H181-F185 WeakPolarHBondContact O-CB 3.45Å; H181-F185 PolarHBondContact O-N 2.92Å; F185-K189 HydrophobicContact CD1-CB 4.18Å; F185-K189 HydrophobicContact CD1-CD 4.25Å; F185-K189 HydrophobicContact CD1-CG 4.28Å; F185-K189 HydrophobicContact CE1-CB 3.96Å; F185-K189 HydrophobicContact CE1-CD 3.84Å; F185-K189 HydrophobicContact CE1-CG 3.67Å; F185-K189 HydrophobicContact CE2-CD 4.36Å; F185-K189 HydrophobicContact CZ-CD 3.91Å; F185-K189 HydrophobicContact CZ-CG 4.05Å; F185-L190 HydrophobicContact CD1-CB 4.31Å; F185-L190 HydrophobicContact CE1-CB 4.39Å; F185-L193 HydrophobicContact CE1-CD2 4.4Å; F185-L193 HydrophobicContact CZ-CD2 4Å
186G97.6Very high98.1Very high24 Ų2442.8 Ų42.825%0.24721%0.214CC..  trans92.2134-176.600000113.1E182 L190E182-G186 WeakPolarHBondContact O-CA 3.27Å; E182-G186 PolarHBondContact O-N 2.78Å; E182-G186 VanDerWaalsContact O-N 3.16Å; G186-L190 PolarHBondContact O-N 3.29Å; G186-L190 VanDerWaalsContact O-N 3.13Å
187L97.6Very high98.1Very high41 Ų4142.9 Ų42.922%0.21521%0.214CC..Hα-helixtrans-67.2-45.5-178.1-173.862.5000112.8K189 L190 Y191 P215 N229L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 2.86Å; L187-L190 HydrophobicContact CD1-CD2 4.46Å; L187-L190 WeakPolarHBondContact O-CB 3.24Å; L187-L190 PolarHBondContact O-N 2.56Å; L187-L190 VanDerWaalsContact O-N 3.1Å; L187-Y191 HydrophobicContact CD1-CE1 3.9Å; L187-Y191 HydrophobicContact CD1-CE2 4.02Å; L187-Y191 HydrophobicContact CD2-CE2 3.98Å; L187-Y191 HydrophobicContact CG-CD2 4.25Å; L187-Y191 HydrophobicContact CG-CE1 4.4Å; L187-Y191 HydrophobicContact CG-CE2 3.61Å; L187-Y191 PolarHBondContact O-N 3.08Å; L187-P215 HydrophobicContact CD1-CB 3.87Å; L187-P215 HydrophobicContact CD1-CG 4.01Å; L187-N229 HydrophobicContact CD1-CB 3.92Å; L187-N229 HydrophobicContact CD2-CB 3.94Å
188D97.6Very high98.1Very high133 Ų13343.3 Ų43.371%0.71122%0.215SC*.Hα-helixtrans-61.6-39179.3-64.2-26.4000111.6L190 Y191 E192D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 2.56Å; D188-Y191 PolarHBondContact O-N 3.48Å; D188-E192 PolarHBondContact O-N 3.44Å
189K97.9Very high98Very high80 Ų8047.2 Ų47.235%0.34823%0.234SC..Hα-helixtrans-66.2-36175.9-167.7-178.5-179-178.30112F185 L187 L193F185-K189 HydrophobicContact CD1-CB 4.18Å; F185-K189 HydrophobicContact CD1-CD 4.25Å; F185-K189 HydrophobicContact CD1-CG 4.28Å; F185-K189 HydrophobicContact CE1-CB 3.96Å; F185-K189 HydrophobicContact CE1-CD 3.84Å; F185-K189 HydrophobicContact CE1-CG 3.67Å; F185-K189 HydrophobicContact CE2-CD 4.36Å; F185-K189 HydrophobicContact CZ-CD 3.91Å; F185-K189 HydrophobicContact CZ-CG 4.05Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 2.86Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 2.94Å
190L98.6Very high97.9Very high2 Ų248.4 Ų48.41%0.0124%0.239CC..Hα-helixtrans-63.1-45.1172.9169.361.8000110.6I178 C180 F185 G186 L187 D188 L193 C194 A213 P215I178-L190 HydrophobicContact CB-CD1 3.9Å; I178-L190 HydrophobicContact CG2-CD1 3.47Å; I178-L190 VanDerWaalsContact CG2-CD1 3.47Å; C180-L190 HydrophobicContact CB-CB 4.32Å; C180-L190 HydrophobicContact CB-CD1 4.13Å; C180-L190 HydrophobicContact CB-CD2 4.26Å; C180-L190 HydrophobicContact CB-CG 4.47Å; F185-L190 HydrophobicContact CD1-CB 4.31Å; F185-L190 HydrophobicContact CE1-CB 4.39Å; G186-L190 PolarHBondContact O-N 3.29Å; G186-L190 VanDerWaalsContact O-N 3.13Å; L187-L190 HydrophobicContact CD1-CD2 4.46Å; L187-L190 WeakPolarHBondContact O-CB 3.24Å; L187-L190 PolarHBondContact O-N 2.56Å; L187-L190 VanDerWaalsContact O-N 3.1Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 2.56Å; L190-L193 PolarHBondContact O-N 2.85Å; L190-C194 PolarHBondContact O-N 3.04Å; L190-C194 PolarHBondContact O-SG 3.36Å; L190-C194 VanDerWaalsContact O-SG 3.32Å; L190-A213 HydrophobicContact CD1-CB 4.43Å; L190-A213 HydrophobicContact CD2-CB 4.02Å; L190-A213 HydrophobicContact CG-CB 4.02Å; L190-P215 HydrophobicContact CD2-CB 3.92Å; L190-P215 HydrophobicContact CD2-CG 4.3Å
191Y98.3Very high97.9Very high63 Ų6348.3 Ų48.325%0.24724%0.238CC..Hα-helixtrans-64.5-44.4178.1-63-30.4000112.4L187 D188 L193 C194 E195 A213 N229 H231L187-Y191 HydrophobicContact CD1-CE1 3.9Å; L187-Y191 HydrophobicContact CD1-CE2 4.02Å; L187-Y191 HydrophobicContact CD2-CE2 3.98Å; L187-Y191 HydrophobicContact CG-CD2 4.25Å; L187-Y191 HydrophobicContact CG-CE1 4.4Å; L187-Y191 HydrophobicContact CG-CE2 3.61Å; L187-Y191 PolarHBondContact O-N 3.08Å; D188-Y191 PolarHBondContact O-N 3.48Å; Y191-L193 VanDerWaalsContact C-N 3.3Å; Y191-L193 PolarHBondContact O-N 3.45Å; Y191-C194 WeakPolarHBondContact O-CB 3.38Å; Y191-C194 PolarHBondContact O-N 3.24Å; Y191-C194 VanDerWaalsContact O-N 3.07Å; Y191-E195 PolarHBondContact O-N 3.27Å; Y191-A213 HydrophobicContact CD1-CB 3.91Å; Y191-A213 HydrophobicContact CE1-CB 3.92Å; Y191-N229 PolarHBondContact OH-O 3.33Å; Y191-H231 HydrophobicContact CD1-CB 4.03Å; Y191-H231 HydrophobicContact CE1-CB 3.51Å
192E98.1Very high97.7Very high128 Ų12852 Ų5260%0.59826%0.262SS*.Hα-helixtrans-57.5-42.8174.1-175.3-179.3-173.500111.8D188 C194 E195 I196D188-E192 PolarHBondContact O-N 3.44Å; E192-C194 VanDerWaalsContact C-N 3.33Å; E192-C194 PolarHBondContact O-N 3.04Å; E192-E195 PolarHBondContact O-N 3.36Å; E192-I196 HydrophobicContact CG-CD1 4.31Å; E192-I196 WeakPolarHBondContact O-CG1 3.18Å; E192-I196 PolarHBondContact O-N 3.1Å
193L98.7Very high97.5Very high2 Ų255.6 Ų55.61%0.0128%0.282CS..Hα-helixtrans-64.2-37175.2175.658.2000112.4A136 L138 P166 F168 I178 F185 K189 L190 Y191 I196 A197A136-L193 HydrophobicContact CB-CD1 3.55Å; L138-L193 HydrophobicContact CD1-CD1 3.89Å; L138-L193 HydrophobicContact CD1-CD2 4.21Å; L138-L193 HydrophobicContact CD2-CD2 4.23Å; P166-L193 HydrophobicContact CB-CD2 3.77Å; P166-L193 HydrophobicContact CG-CD2 3.76Å; F168-L193 HydrophobicContact CE1-CD2 4.04Å; F168-L193 HydrophobicContact CZ-CD1 4.44Å; F168-L193 HydrophobicContact CZ-CD2 4.38Å; I178-L193 HydrophobicContact CD1-CG 4.02Å; I178-L193 HydrophobicContact CG2-CD2 3.85Å; I178-L193 HydrophobicContact CG2-CG 4.43Å; F185-L193 HydrophobicContact CE1-CD2 4.4Å; F185-L193 HydrophobicContact CZ-CD2 4Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 2.94Å; L190-L193 PolarHBondContact O-N 2.85Å; Y191-L193 VanDerWaalsContact C-N 3.3Å; Y191-L193 PolarHBondContact O-N 3.45Å; L193-I196 PolarHBondContact O-N 3.32Å; L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 3.18Å
194C98.5Very high97.4Very high1 Ų149.4 Ų49.41%0.00726%0.264CS..Hα-helixtrans-64.6-40.9174.2-720000112I178 L190 Y191 E192 A197 R198 V211 L233I178-C194 HydrophobicContact CD1-CB 4.38Å; I178-C194 VanDerWaalsContact CD1-SG 3.58Å; L190-C194 PolarHBondContact O-N 3.04Å; L190-C194 PolarHBondContact O-SG 3.36Å; L190-C194 VanDerWaalsContact O-SG 3.32Å; Y191-C194 WeakPolarHBondContact O-CB 3.38Å; Y191-C194 PolarHBondContact O-N 3.24Å; Y191-C194 VanDerWaalsContact O-N 3.07Å; E192-C194 VanDerWaalsContact C-N 3.33Å; E192-C194 PolarHBondContact O-N 3.04Å; C194-A197 PolarHBondContact O-N 3.39Å; C194-R198 WeakPolarHBondContact O-CB 3.19Å; C194-R198 PolarHBondContact O-N 3.39Å; C194-V211 HydrophobicContact CB-CG1 3.84Å; C194-L233 HydrophobicContact CB-CD1 3.7Å; C194-L233 WeakPolarHBondContact O-CD1 3.32Å
195E97.9Very high97.3Very high84 Ų8449 Ų4939%0.39327%0.273SS..Hα-helixtrans-62.9-45.9175.4-66.7-63.9172.200111.4Y191 E192 A197 R198 E199 L233Y191-E195 PolarHBondContact O-N 3.27Å; E192-E195 PolarHBondContact O-N 3.36Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 3.17Å; E195-R198 WeakPolarHBondContact O-CB 3.38Å; E195-R198 PolarHBondContact O-N 2.73Å; E195-R198 VanDerWaalsContact O-N 3.16Å; E195-E199 WeakPolarHBondContact O-CG 3.49Å; E195-E199 PolarHBondContact O-N 2.96Å; E195-L233 HydrophobicContact CG-CD1 4.17Å; E195-L233 VanDerWaalsContact OE1-CD2 3.24Å; E195-L233 WeakPolarHBondContact OE1-CD2 3.31Å
196I98.3Very high97.1Very high14 Ų1450.5 Ų50.57%0.07228%0.279CS..Hα-helixtrans-57.1-46.3174.1-69.4167.3000110.5L132 R135 A136 E192 L193 R198 E199 E200L132-I196 HydrophobicContact CD2-CG2 4Å; R135-I196 HydrophobicContact CB-CG2 4.08Å; R135-I196 HydrophobicContact CG-CD1 4.4Å; R135-I196 HydrophobicContact CG-CG1 4.49Å; R135-I196 HydrophobicContact CG-CG2 3.91Å; A136-I196 HydrophobicContact CB-CD1 3.73Å; E192-I196 HydrophobicContact CG-CD1 4.31Å; E192-I196 WeakPolarHBondContact O-CG1 3.18Å; E192-I196 PolarHBondContact O-N 3.1Å; L193-I196 PolarHBondContact O-N 3.32Å; I196-R198 VanDerWaalsContact C-N 3.34Å; I196-R198 PolarHBondContact O-N 3.35Å; I196-E199 PolarHBondContact O-N 2.94Å; I196-E200 HydrophobicContact CG2-CG 4.39Å; I196-E200 WeakPolarHBondContact O-CG 3.29Å; I196-E200 PolarHBondContact O-N 3.44Å
197A98.6Very high96.9Very high1 Ų151.8 Ų51.81%0.00828%0.28CS..Hα-helixtrans-62.8-39.9177.900000112.7L132 F176 I178 L193 C194 E195 E200 L201 V211L132-A197 HydrophobicContact CD1-CB 4.44Å; L132-A197 HydrophobicContact CD2-CB 3.88Å; F176-A197 HydrophobicContact CD1-CB 4.29Å; F176-A197 HydrophobicContact CE1-CB 4.26Å; I178-A197 HydrophobicContact CD1-CB 3.97Å; L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 3.18Å; C194-A197 PolarHBondContact O-N 3.39Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 3.17Å; A197-E200 PolarHBondContact O-N 3.41Å; A197-L201 VanDerWaalsContact O-CB 3.3Å; A197-L201 WeakPolarHBondContact O-CB 3.13Å; A197-L201 WeakPolarHBondContact O-CD1 3.27Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.4Å; A197-V211 HydrophobicContact CB-CG1 4.12Å; A197-V211 HydrophobicContact CB-CG2 4.34Å
198R96.8Very high96.7Very high25 Ų2549.9 Ų49.99%0.09427%0.27CS..Hα-helixtrans-59.5-48.7175.1171.149.651.9-161.410110.8C194 E195 I196 L201 T202 I208 G209 V211 L233C194-R198 WeakPolarHBondContact O-CB 3.19Å; C194-R198 PolarHBondContact O-N 3.39Å; E195-R198 WeakPolarHBondContact O-CB 3.38Å; E195-R198 PolarHBondContact O-N 2.73Å; E195-R198 VanDerWaalsContact O-N 3.16Å; I196-R198 VanDerWaalsContact C-N 3.34Å; I196-R198 PolarHBondContact O-N 3.35Å; R198-L201 PolarHBondContact O-N 2.81Å; R198-T202 PolarHBondContact O-N 3.26Å; R198-T202 PolarHBondContact O-OG1 2.91Å; R198-T202 VanDerWaalsContact O-OG1 3.07Å; R198-I208 PolarHBondContact NH1-O 3.46Å; R198-I208 PolarHBondContact NH2-O 3.19Å; R198-G209 PolarHBondContact NH2-O 3.28Å; R198-V211 HydrophobicContact CB-CG2 4.16Å; R198-L233 HydrophobicContact CB-CB 4.47Å; R198-L233 HydrophobicContact CB-CD1 4.05Å; R198-L233 HydrophobicContact CG-CB 4.5Å; R198-L233 PolarHBondContact NE-O 3.39Å; R198-L233 PolarHBondContact NH2-O 3.01Å
199E96.8Very high96.4Very high83 Ų8344 Ų4439%0.38824%0.241SC..Hα-helixtrans-62.5-45.8178.6-70.3-176.4-149.400112.8R135 E195 I196 L201 T202 N203R135-E199 IonicContact CZ-OE2 3.58Å; R135-E199 IonicContact NH1-OE2 2.73Å; R135-E199 PolarHBondContact NH1-OE2 2.77Å; R135-E199 IonicContact NH2-OE1 3.71Å; R135-E199 IonicContact NH2-OE2 3.6Å; R135-E199 PolarHBondContact NH2-OE2 2.86Å; E195-E199 WeakPolarHBondContact O-CG 3.49Å; E195-E199 PolarHBondContact O-N 2.96Å; I196-E199 PolarHBondContact O-N 2.94Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.45Å; E199-T202 PolarHBondContact O-N 2.77Å; E199-N203 VanDerWaalsContact O-CB 3.32Å; E199-N203 WeakPolarHBondContact O-CB 3.37Å; E199-N203 PolarHBondContact O-N 2.84Å; E199-N203 PolarHBondContact O-ND2 3.02Å
200E97.9Very high96.3Very high24 Ų2443.9 Ų43.911%0.11224%0.238CC..Hα-helixtrans-65.9-36.1179.3-67.3-50.8138.400112.3L128 K131 L132 R135 I196 A197 G204L128-E200 HydrophobicContact CD1-CB 3.76Å; K131-E200 HydrophobicContact CB-CG 4.38Å; K131-E200 WeakPolarHBondContact CD-OE2 3.24Å; L132-E200 HydrophobicContact CD2-CB 4.2Å; L132-E200 HydrophobicContact CD2-CG 4.03Å; R135-E200 WeakPolarHBondContact CD-OE1 3.47Å; R135-E200 IonicContact CZ-OE1 3.94Å; R135-E200 IonicContact NE-OE1 2.65Å; R135-E200 IonicContact NH1-OE1 3.64Å; R135-E200 PolarHBondContact NH1-OE1 3.05Å; I196-E200 HydrophobicContact CG2-CG 4.39Å; I196-E200 WeakPolarHBondContact O-CG 3.29Å; I196-E200 PolarHBondContact O-N 3.44Å; A197-E200 PolarHBondContact O-N 3.41Å; E200-G204 PolarHBondContact O-N 3.09Å
201L97.5Very high96.2Very high0 Ų043.8 Ų43.80%024%0.238CC..Hα-helixtrans-65-41.1175-73.1169.1000111.9F117 L128 F176 A197 R198 E199 G205 Y206 I208 V211F117-L201 HydrophobicContact CE2-CD2 4.34Å; F117-L201 HydrophobicContact CZ-CD2 3.79Å; L128-L201 HydrophobicContact CD1-CD2 4.21Å; L128-L201 HydrophobicContact CD1-CG 4.5Å; L128-L201 HydrophobicContact CD2-CD2 3.54Å; L128-L201 HydrophobicContact CD2-CG 4.5Å; F176-L201 HydrophobicContact CB-CD1 3.76Å; F176-L201 HydrophobicContact CD2-CD1 4.5Å; F176-L201 HydrophobicContact CG-CD1 4.15Å; A197-L201 VanDerWaalsContact O-CB 3.3Å; A197-L201 WeakPolarHBondContact O-CB 3.13Å; A197-L201 WeakPolarHBondContact O-CD1 3.27Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.4Å; R198-L201 PolarHBondContact O-N 2.81Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.45Å; L201-G205 PolarHBondContact O-N 3.02Å; L201-Y206 HydrophobicContact CD2-CD2 4Å; L201-Y206 HydrophobicContact CD2-CG 4Å; L201-Y206 PolarHBondContact O-N 3.43Å; L201-I208 HydrophobicContact CD1-CB 4.09Å; L201-I208 HydrophobicContact CD1-CG1 4.35Å; L201-I208 HydrophobicContact CD1-CG2 4.31Å; L201-I208 HydrophobicContact CD2-CB 4.3Å; L201-I208 HydrophobicContact CD2-CG1 3.69Å; L201-I208 HydrophobicContact CG-CG1 4.46Å; L201-V211 HydrophobicContact CD1-CG2 3.42Å; L201-V211 VanDerWaalsContact CD1-CG2 3.42Å
202T93.9Very high96.2Very high84 Ų8441 Ų4152%0.51523%0.227SC..Hα-helixtrans-68.7-51.8176.4-60.70000111.2R198 E199 G204 G205R198-T202 PolarHBondContact O-N 3.26Å; R198-T202 PolarHBondContact O-OG1 2.91Å; R198-T202 VanDerWaalsContact O-OG1 3.07Å; E199-T202 PolarHBondContact O-N 2.77Å; T202-G204 VanDerWaalsContact C-N 3.29Å; T202-G204 PolarHBondContact O-N 2.75Å; T202-G205 PolarHBondContact O-N 3.35Å
203N95Very high96.2Very high121 Ų12134.9 Ų34.965%0.64720%0.199SC*.Hα-helixtrans-65.5-32.5-177.4-69.5-24000112.7E199 G205E199-N203 VanDerWaalsContact O-CB 3.32Å; E199-N203 WeakPolarHBondContact O-CB 3.37Å; E199-N203 PolarHBondContact O-N 2.84Å; E199-N203 PolarHBondContact O-ND2 3.02Å; N203-G205 PolarHBondContact O-N 2.8Å
204G95.5Very high96.1Very high39 Ų3936 Ų3640%0.40220%0.203SC..THydrogen-bonded Turntrans-76.6-5.6175.200000114.4E200 T202 Y206E200-G204 PolarHBondContact O-N 3.09Å; T202-G204 VanDerWaalsContact C-N 3.29Å; T202-G204 PolarHBondContact O-N 2.75Å; G204-Y206 VanDerWaalsContact C-N 3.25Å; G204-Y206 PolarHBondContact O-N 3.4Å
205G93.7Very high96.1Very high62 Ų6236.1 Ų36.164%0.63920%0.203SC*.THydrogen-bonded Turntrans68.522.8-178.300000113.7L201 T202 N203 N207L201-G205 PolarHBondContact O-N 3.02Å; T202-G205 PolarHBondContact O-N 3.35Å; N203-G205 PolarHBondContact O-N 2.8Å; G205-N207 PolarHBondContact O-N 2.96Å
206Y94.9Very high96.1Very high50 Ų5032.1 Ų32.120%0.19618%0.184CC..  trans-71.8-20.9-179.9-65.4-80.1000112.8G115 F117 P125 L128 L201 G204 I208G115-Y206 VanDerWaalsContact CA-O 3.29Å; G115-Y206 WeakPolarHBondContact CA-O 3.43Å; F117-Y206 HydrophobicContact CE1-CD1 4.42Å; P125-Y206 HydrophobicContact CB-CE1 4.37Å; P125-Y206 HydrophobicContact CG-CE1 3.87Å; L128-Y206 HydrophobicContact CB-CE2 4.24Å; L128-Y206 HydrophobicContact CD1-CE2 4.07Å; L128-Y206 HydrophobicContact CD2-CE2 4.41Å; L128-Y206 HydrophobicContact CG-CE2 4.47Å; L201-Y206 HydrophobicContact CD2-CD2 4Å; L201-Y206 HydrophobicContact CD2-CG 4Å; L201-Y206 PolarHBondContact O-N 3.43Å; G204-Y206 VanDerWaalsContact C-N 3.25Å; G204-Y206 PolarHBondContact O-N 3.4Å; Y206-I208 VanDerWaalsContact C-N 3.33Å; Y206-I208 PolarHBondContact O-N 3.09Å
207N92.1Very high96.1Very high50 Ų5034.7 Ų34.727%0.26720%0.198SC..  trans49.946.8-179.9-158.629.1000114.2F112 E113 G115 G205F112-N207 WeakPolarHBondContact CD2-ND2 3.5Å; F112-N207 WeakPolarHBondContact CE2-ND2 3.23Å; E113-N207 PolarHBondContact O-ND2 3.28Å; G115-N207 PolarHBondContact N-O 3.4Å; G205-N207 PolarHBondContact O-N 2.96Å
208I94.7Very high96.1Very high2 Ų235.9 Ų35.91%0.0121%0.21CC..  trans-85.1123.7178.5-58.1-57.1000110.3G115 F117 S174 F176 R198 L201 Y206 R210 V235G115-I208 VanDerWaalsContact O-CD1 3.24Å; G115-I208 WeakPolarHBondContact O-CD1 3.35Å; F117-I208 HydrophobicContact CD2-CD1 3.98Å; F117-I208 HydrophobicContact CD2-CG1 4.48Å; F117-I208 HydrophobicContact CE1-CD1 4.4Å; F117-I208 HydrophobicContact CE2-CD1 3.53Å; F117-I208 HydrophobicContact CE2-CG1 3.59Å; F117-I208 HydrophobicContact CE2-CG2 4.39Å; F117-I208 HydrophobicContact CZ-CD1 3.77Å; F117-I208 HydrophobicContact CZ-CG1 3.73Å; S174-I208 WeakPolarHBondContact OG-CA 3.48Å; F176-I208 HydrophobicContact CB-CG2 4.43Å; R198-I208 PolarHBondContact NH1-O 3.46Å; R198-I208 PolarHBondContact NH2-O 3.19Å; L201-I208 HydrophobicContact CD1-CB 4.09Å; L201-I208 HydrophobicContact CD1-CG1 4.35Å; L201-I208 HydrophobicContact CD1-CG2 4.31Å; L201-I208 HydrophobicContact CD2-CB 4.3Å; L201-I208 HydrophobicContact CD2-CG1 3.69Å; L201-I208 HydrophobicContact CG-CG1 4.46Å; Y206-I208 VanDerWaalsContact C-N 3.33Å; Y206-I208 PolarHBondContact O-N 3.09Å; I208-R210 PolarHBondContact O-N 3.19Å; I208-V235 WeakPolarHBondContact O-CG2 3.45Å
209G91.7Very high96Very high9 Ų939.7 Ų39.79%0.09323%0.232CC..SBendtrans-59.8-41.7-172.900000114.3S174 R198 A234 V235S174-G209 PolarHBondContact O-N 2.83Å; S174-G209 PolarHBondContact OG-N 3.12Å; R198-G209 PolarHBondContact NH2-O 3.28Å; G209-A234 WeakPolarHBondContact O-CA 3.11Å; G209-V235 PolarHBondContact O-N 2.9Å
210R94.7Very high96Very high78 Ų7840.7 Ų40.729%0.29424%0.235SC..EExtended strand (participates in β ladder)trans-138.4142.7-179.5-67.9-179.5-71.8-104.2-0.6114.5S174 V175 F176 I208 I212 L233 A234S174-R210 PolarHBondContact O-N 3.22Å; V175-R210 CarbonylContact C-O 3.59Å; V175-R210 VanDerWaalsContact CA-O 3.27Å; V175-R210 WeakPolarHBondContact CA-O 3.27Å; V175-R210 HydrophobicContact CG1-CB 4.21Å; F176-R210 PolarHBondContact N-O 3.32Å; I208-R210 PolarHBondContact O-N 3.19Å; R210-I212 HydrophobicContact CB-CD1 4.33Å; R210-I212 HydrophobicContact CB-CG1 3.99Å; R210-L233 WeakPolarHBondContact CA-O 3.36Å; R210-A234 HydrophobicContact CG-CB 3.98Å
211V97.7Very high95.9Very high0 Ų041.6 Ų41.60%025%0.247CC..EExtended strand (participates in β ladder)trans-106.9127.1161.51750000106.4F176 I178 C194 A197 R198 L201 L233F176-V211 HydrophobicContact CB-CG2 4.28Å; F176-V211 CarbonylContact O-C 3.56Å; F176-V211 VanDerWaalsContact O-CA 3.25Å; F176-V211 WeakPolarHBondContact O-CA 3.3Å; I178-V211 HydrophobicContact CD1-CG1 4.07Å; C194-V211 HydrophobicContact CB-CG1 3.84Å; A197-V211 HydrophobicContact CB-CG1 4.12Å; A197-V211 HydrophobicContact CB-CG2 4.34Å; R198-V211 HydrophobicContact CB-CG2 4.16Å; L201-V211 HydrophobicContact CD1-CG2 3.42Å; L201-V211 VanDerWaalsContact CD1-CG2 3.42Å; V211-L233 HydrophobicContact CB-CB 4.24Å; V211-L233 PolarHBondContact N-O 3.47Å; V211-L233 PolarHBondContact O-N 3.12Å
212I97Very high95.8Very high4 Ų444.4 Ų44.42%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-122.9116.5-172.3-45.8176000111.4V175 F176 Q177 I178 R210 R214 R230 D232V175-I212 HydrophobicContact CB-CD1 4.31Å; V175-I212 HydrophobicContact CG1-CD1 3.98Å; F176-I212 PolarHBondContact O-N 3.4Å; Q177-I212 WeakPolarHBondContact CA-O 3.44Å; Q177-I212 HydrophobicContact CG-CB 4.24Å; Q177-I212 HydrophobicContact CG-CD1 4.34Å; I178-I212 PolarHBondContact N-O 3.02Å; R210-I212 HydrophobicContact CB-CD1 4.33Å; R210-I212 HydrophobicContact CB-CG1 3.99Å; I212-R214 HydrophobicContact CG2-CG 4.26Å; I212-R214 PolarHBondContact O-N 3.23Å; I212-R230 HydrophobicContact CG2-CG 4.34Å; I212-D232 WeakPolarHBondContact CG2-OD1 3.41Å
213A98.1Very high96Very high0 Ų043.9 Ų43.90%027%0.27CS..EExtended strand (participates in β ladder)trans-69.8124168.100000109.7L190 Y191 P215 H231L190-A213 HydrophobicContact CD1-CB 4.43Å; L190-A213 HydrophobicContact CD2-CB 4.02Å; L190-A213 HydrophobicContact CG-CB 4.02Å; Y191-A213 HydrophobicContact CD1-CB 3.91Å; Y191-A213 HydrophobicContact CE1-CB 3.92Å; A213-P215 WeakPolarHBondContact O-CD 3.49Å; A213-H231 HydrophobicContact CB-CB 4.03Å; A213-H231 WeakPolarHBondContact CB-O 3.44Å; A213-H231 PolarHBondContact N-O 3.49Å; A213-H231 PolarHBondContact O-N 2.88Å
214R98Very high96.1Very high26 Ų2639.1 Ų39.110%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-122.867.9-177.6-67.2-83.4-173-113.3-1110.3Y169 Q177 I178 A179 I212 R230Y169-R214 HydrophobicContact CE1-CG 4.47Å; Y169-R214 WeakPolarHBondContact OH-CD 3.13Å; Y169-R214 VanDerWaalsContact OH-CG 3.25Å; Y169-R214 WeakPolarHBondContact OH-CG 3.42Å; Q177-R214 HydrophobicContact CB-CG 4.38Å; Q177-R214 VanDerWaalsContact OE1-NH2 3.15Å; I178-R214 WeakPolarHBondContact O-CB 3.26Å; I178-R214 PolarHBondContact O-N 3.09Å; A179-R214 WeakPolarHBondContact CA-O 3.28Å; A179-R214 HydrophobicContact CB-CB 4.1Å; I212-R214 HydrophobicContact CG2-CG 4.26Å; I212-R214 PolarHBondContact O-N 3.23Å; R214-R230 VanDerWaalsContact NH1-CG 3.27Å
215P98Very high96.1Very high2 Ų243.5 Ų43.51%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-64.1145.5176.625-30.4000111.5C180 E182 L187 L190 A213 R226 T227 N229C180-P215 WeakPolarHBondContact O-CA 3.21Å; E182-P215 HydrophobicContact CG-CB 3.73Å; E182-P215 WeakPolarHBondContact OE1-CB 3.43Å; L187-P215 HydrophobicContact CD1-CB 3.87Å; L187-P215 HydrophobicContact CD1-CG 4.01Å; L190-P215 HydrophobicContact CD2-CB 3.92Å; L190-P215 HydrophobicContact CD2-CG 4.3Å; A213-P215 WeakPolarHBondContact O-CD 3.49Å; P215-R226 WeakPolarHBondContact O-CA 3.44Å; P215-T227 WeakPolarHBondContact CG-OG1 3.36Å; P215-T227 PolarHBondContact O-N 3.4Å; P215-N229 HydrophobicContact CB-CB 4.44Å; P215-N229 VanDerWaalsContact CG-C 3.42Å; P215-N229 HydrophobicContact CG-CB 3.64Å; P215-N229 VanDerWaalsContact CG-O 3.26Å; P215-N229 WeakPolarHBondContact CG-O 3.38Å
216F98.3Very high96.2Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-141161176.270.6-86.3000112.2L153 H160 I167 A179 C180 H181 E182 F224 Q225L153-F216 HydrophobicContact CD1-CB 3.71Å; L153-F216 HydrophobicContact CD1-CD1 4.33Å; L153-F216 HydrophobicContact CD1-CD2 4.43Å; L153-F216 HydrophobicContact CD1-CG 3.94Å; L153-F216 HydrophobicContact CD2-CB 4.24Å; L153-F216 HydrophobicContact CD2-CD1 3.26Å; L153-F216 HydrophobicContact CD2-CD2 4.07Å; L153-F216 HydrophobicContact CD2-CE1 3.4Å; L153-F216 HydrophobicContact CD2-CE2 4.19Å; L153-F216 HydrophobicContact CD2-CG 3.61Å; L153-F216 HydrophobicContact CD2-CZ 3.87Å; L153-F216 HydrophobicContact CG-CD1 4.42Å; L153-F216 HydrophobicContact CG-CG 4.37Å; H160-F216 AromaticContact CD2-CZ 3.68Å; I167-F216 HydrophobicContact CD1-CE1 4.34Å; I167-F216 HydrophobicContact CD1-CZ 4.46Å; A179-F216 HydrophobicContact CB-CD1 4.37Å; A179-F216 HydrophobicContact CB-CE1 4.36Å; C180-F216 VanDerWaalsContact O-CD1 3.23Å; C180-F216 WeakPolarHBondContact O-CD1 3.32Å; C180-F216 PolarHBondContact O-N 3.29Å; C180-F216 VanDerWaalsContact O-N 3.11Å; H181-F216 CarbonylContact C-O 3.58Å; H181-F216 VanDerWaalsContact CA-O 3.28Å; H181-F216 WeakPolarHBondContact CA-O 3.26Å; H181-F216 HydrophobicContact CB-CD2 4.23Å; H181-F216 HydrophobicContact CB-CE1 4.11Å; H181-F216 HydrophobicContact CB-CE2 3.72Å; H181-F216 HydrophobicContact CB-CZ 3.66Å; H181-F216 AromaticContact CD2-CD2 3.78Å; H181-F216 AromaticContact CD2-CE2 3.69Å; E182-F216 PolarHBondContact N-O 2.83Å; F216-F224 HydrophobicContact CD2-CB 4.18Å; F216-F224 AromaticContact CD2-CD1 3.67Å; F216-F224 HydrophobicContact CD2-CD1 3.67Å; F216-F224 HydrophobicContact CD2-CE1 4.34Å; F216-F224 HydrophobicContact CD2-CG 4.08Å; F216-F224 AromaticContact CE2-CD1 3.57Å; F216-F224 HydrophobicContact CE2-CD1 3.57Å; F216-F224 AromaticContact CE2-CE1 3.79Å; F216-F224 HydrophobicContact CE2-CE1 3.79Å; F216-F224 HydrophobicContact CE2-CG 4.07Å; F216-F224 HydrophobicContact CE2-CZ 4.45Å; F216-Q225 CarbonylContact C-O 3.47Å; F216-Q225 WeakPolarHBondContact CA-O 3.38Å; F216-Q225 VanDerWaalsContact CB-O 3.31Å; F216-Q225 WeakPolarHBondContact CB-O 3.27Å
217I98.1Very high96.2Very high69 Ų6945.7 Ų45.735%0.35425%0.246SC..EExtended strand (participates in β ladder)trans-127.5167.2174.357.7172.1000109.9H181 E182 F224 Q225 T227H181-I217 WeakPolarHBondContact NE2-CA 3.11Å; E182-I217 HydrophobicContact CB-CG2 4.3Å; E182-I217 HydrophobicContact CG-CG2 4.33Å; I217-F224 CarbonylContact O-C 3.33Å; I217-F224 VanDerWaalsContact O-CA 3.27Å; I217-F224 WeakPolarHBondContact O-CA 3.16Å; I217-Q225 HydrophobicContact CG1-CB 4.29Å; I217-Q225 PolarHBondContact N-O 3.01Å; I217-Q225 PolarHBondContact O-N 3.16Å; I217-T227 HydrophobicContact CB-CG2 4.36Å; I217-T227 HydrophobicContact CD1-CG2 4.4Å; I217-T227 HydrophobicContact CG1-CG2 4Å; I217-T227 HydrophobicContact CG2-CG2 3.74Å
218G97.3Very high96.1Very high25 Ų2547.2 Ų47.226%0.25827%0.273SS..  trans121.8159.5178.400000111.1H181 F224H181-G218 PolarHBondContact CD2-O 3.12Å; H181-G218 PolarHBondContact NE2-N 3.14Å; H181-G218 PolarHBondContact NE2-O 3.01Å; G218-F224 VanDerWaalsContact O-CE1 3.26Å; G218-F224 WeakPolarHBondContact O-CE1 3.2Å
219D96.3Very high96.1Very high105 Ų10550.3 Ų50.356%0.56129%0.289SS*.SBendtrans-100.9-17.5-168.161.2-22.3000114.4N223D219-N223 WeakPolarHBondContact OD1-CB 3.22Å; D219-N223 PolarHBondContact OD1-ND2 3.15Å
220K96.7Very high96.2Very high104 Ų10456.3 Ų56.345%0.45231%0.309SS..SBendtrans-163.8170-175.863.5-176.4177-178.90112.7E158 G222 N223 F224E158-K220 HydrophobicContact CG-CB 4.45Å; E158-K220 WeakPolarHBondContact OE1-CB 3.44Å; K220-G222 PolarHBondContact O-N 3.49Å; K220-N223 VanDerWaalsContact CE-ND2 3.26Å; K220-N223 WeakPolarHBondContact CE-ND2 3.44Å; K220-N223 HydrophobicContact CG-CB 4.18Å; K220-N223 WeakPolarHBondContact O-CB 3.22Å; K220-N223 PolarHBondContact O-N 3.46Å; K220-F224 VanDerWaalsContact C-CZ 3.46Å; K220-F224 WeakPolarHBondContact O-CD2 3.5Å; K220-F224 WeakPolarHBondContact O-CE2 3.44Å; K220-F224 PolarHBondContact O-N 3.46Å
221A95.4Very high96Very high43 Ų4356.6 Ų56.636%0.35531%0.314SS..THydrogen-bonded Turntrans-54.2138.617300000112D154 E158 N223D154-A221 WeakPolarHBondContact O-CB 3.31Å; E158-A221 PolarHBondContact OE1-N 2.89Å; A221-N223 PolarHBondContact O-N 3.34Å
222G95.3Very high95.8Very high60 Ų6058.5 Ų58.562%0.61932%0.324SS*.THydrogen-bonded Turntrans82.1-13-17300000114.6D154 K220D154-G222 PolarHBondContact OD1-N 3.36Å; K220-G222 PolarHBondContact O-N 3.49Å
223N96.9Very high95.6Very high73 Ų7359.3 Ų59.339%0.3933%0.328SS..THydrogen-bonded Turntrans-110.8-6.7176.5-75.3-2.3000113.3D219 K220 A221D219-N223 WeakPolarHBondContact OD1-CB 3.22Å; D219-N223 PolarHBondContact OD1-ND2 3.15Å; K220-N223 VanDerWaalsContact CE-ND2 3.26Å; K220-N223 WeakPolarHBondContact CE-ND2 3.44Å; K220-N223 HydrophobicContact CG-CB 4.18Å; K220-N223 WeakPolarHBondContact O-CB 3.22Å; K220-N223 PolarHBondContact O-N 3.46Å; A221-N223 PolarHBondContact O-N 3.34Å
224F97.9Very high95.3Very high21 Ų2160.4 Ų60.49%0.09234%0.337CS..  trans-70.1136.6-179.4-63.9-54000112.2L153 E158 M161 F216 I217 G218 K220L153-F224 HydrophobicContact CB-CB 4Å; L153-F224 HydrophobicContact CB-CD2 4.36Å; L153-F224 HydrophobicContact CB-CG 4.46Å; L153-F224 HydrophobicContact CD1-CB 4.47Å; L153-F224 WeakPolarHBondContact O-CD2 3.48Å; L153-F224 WeakPolarHBondContact O-CE2 3.27Å; E158-F224 HydrophobicContact CG-CE2 4.17Å; E158-F224 HydrophobicContact CG-CZ 3.92Å; M161-F224 HydrophobicContact SD-CE1 3.58Å; M161-F224 VanDerWaalsContact SD-CE1 3.58Å; M161-F224 HydrophobicContact SD-CZ 3.87Å; F216-F224 HydrophobicContact CD2-CB 4.18Å; F216-F224 AromaticContact CD2-CD1 3.67Å; F216-F224 HydrophobicContact CD2-CD1 3.67Å; F216-F224 HydrophobicContact CD2-CE1 4.34Å; F216-F224 HydrophobicContact CD2-CG 4.08Å; F216-F224 AromaticContact CE2-CD1 3.57Å; F216-F224 HydrophobicContact CE2-CD1 3.57Å; F216-F224 AromaticContact CE2-CE1 3.79Å; F216-F224 HydrophobicContact CE2-CE1 3.79Å; F216-F224 HydrophobicContact CE2-CG 4.07Å; F216-F224 HydrophobicContact CE2-CZ 4.45Å; I217-F224 CarbonylContact O-C 3.33Å; I217-F224 VanDerWaalsContact O-CA 3.27Å; I217-F224 WeakPolarHBondContact O-CA 3.16Å; G218-F224 VanDerWaalsContact O-CE1 3.26Å; G218-F224 WeakPolarHBondContact O-CE1 3.2Å; K220-F224 VanDerWaalsContact C-CZ 3.46Å; K220-F224 WeakPolarHBondContact O-CD2 3.5Å; K220-F224 WeakPolarHBondContact O-CE2 3.44Å; K220-F224 PolarHBondContact O-N 3.46Å
225Q96.3Very high95Very high130 Ų13060.7 Ų60.761%0.60734%0.342SS*.EExtended strand (participates in β ladder)trans-135.9130.2180-62.9-179.523.200110.4F216 I217F216-Q225 CarbonylContact C-O 3.47Å; F216-Q225 WeakPolarHBondContact CA-O 3.38Å; F216-Q225 VanDerWaalsContact CB-O 3.31Å; F216-Q225 WeakPolarHBondContact CB-O 3.27Å; I217-Q225 HydrophobicContact CG1-CB 4.29Å; I217-Q225 PolarHBondContact N-O 3.01Å; I217-Q225 PolarHBondContact O-N 3.16Å
226R95.7Very high94.8Very high129 Ų12966.8 Ų66.849%0.48737%0.37SS..EExtended strand (participates in β ladder)trans-65.2141.2170.4-70.9-177.5-81177.8-4.2109.8L153 P215L153-R226 HydrophobicContact CD1-CG 3.84Å; P215-R226 WeakPolarHBondContact O-CA 3.44Å
227T94.1Very high94.7Very high30 Ų3067.4 Ų67.418%0.18437%0.374CS..  trans-98.5170178.873.60000112.2E182 P215 I217 N229E182-T227 HydrophobicContact CG-CG2 4.43Å; E182-T227 VanDerWaalsContact OE1-CB 3.27Å; E182-T227 WeakPolarHBondContact OE1-CB 3.38Å; E182-T227 VanDerWaalsContact OE1-CG2 3.24Å; E182-T227 WeakPolarHBondContact OE1-CG2 3.04Å; E182-T227 PolarHBondContact OE1-OG1 3.47Å; P215-T227 WeakPolarHBondContact CG-OG1 3.36Å; P215-T227 PolarHBondContact O-N 3.4Å; I217-T227 HydrophobicContact CB-CG2 4.36Å; I217-T227 HydrophobicContact CD1-CG2 4.4Å; I217-T227 HydrophobicContact CG1-CG2 4Å; I217-T227 HydrophobicContact CG2-CG2 3.74Å; T227-N229 PolarHBondContact O-N 2.87Å; T227-N229 PolarHBondContact OG1-N 2.92Å
228G89.6Confident94.4Very high81 Ų8167.9 Ų67.984%0.83538%0.382SS*.SBendtrans-72.5-5.3173.100000114.4R230G228-R230 PolarHBondContact O-N 3.38Å; G228-R230 VanDerWaalsContact O-N 3.1Å
229N94Very high94.4Very high67 Ų6768.5 Ų68.536%0.35838%0.384SS..  trans-78.519.1177.3-63.7-39.3000112.6E182 L187 Y191 P215 T227 H231E182-N229 PolarHBondContact OE1-ND2 3.35Å; L187-N229 HydrophobicContact CD1-CB 3.92Å; L187-N229 HydrophobicContact CD2-CB 3.94Å; Y191-N229 PolarHBondContact OH-O 3.33Å; P215-N229 HydrophobicContact CB-CB 4.44Å; P215-N229 VanDerWaalsContact CG-C 3.42Å; P215-N229 HydrophobicContact CG-CB 3.64Å; P215-N229 VanDerWaalsContact CG-O 3.26Å; P215-N229 WeakPolarHBondContact CG-O 3.38Å; T227-N229 PolarHBondContact O-N 2.87Å; T227-N229 PolarHBondContact OG1-N 2.92Å; N229-H231 PolarHBondContact O-N 2.88Å
230R94.3Very high94.5Very high136 Ų13667.4 Ų67.451%0.51338%0.383SS..  trans-52.3131.2167.9169-175.4179.3175.91.3109.4I212 R214 G228 D232I212-R230 HydrophobicContact CG2-CG 4.34Å; R214-R230 VanDerWaalsContact NH1-CG 3.27Å; G228-R230 PolarHBondContact O-N 3.38Å; G228-R230 VanDerWaalsContact O-N 3.1Å; R230-D232 WeakPolarHBondContact CG-OD1 3.49Å; R230-D232 IonicContact CZ-OD1 3.94Å; R230-D232 IonicContact CZ-OD2 3.01Å; R230-D232 IonicContact NE-OD1 3.33Å; R230-D232 PolarHBondContact NE-OD1 3.48Å; R230-D232 IonicContact NE-OD2 3.58Å; R230-D232 PolarHBondContact NE-OD2 2.92Å; R230-D232 IonicContact NH2-OD1 3.28Å; R230-D232 IonicContact NH2-OD2 3.15Å; R230-D232 PolarHBondContact NH2-OD2 3.34Å
231H91.5Very high94.6Very high84 Ų8462.6 Ų62.639%0.38936%0.362SS..EExtended strand (participates in β ladder)trans-133.5132.9172.9-16961.2000109.9Y191 A213 N229 L233Y191-H231 HydrophobicContact CD1-CB 4.03Å; Y191-H231 HydrophobicContact CE1-CB 3.51Å; A213-H231 HydrophobicContact CB-CB 4.03Å; A213-H231 WeakPolarHBondContact CB-O 3.44Å; A213-H231 PolarHBondContact N-O 3.49Å; A213-H231 PolarHBondContact O-N 2.88Å; N229-H231 PolarHBondContact O-N 2.88Å; H231-L233 WeakPolarHBondContact NE2-CD2 3.27Å
232D92.4Very high94.8Very high40 Ų4060.6 Ų60.621%0.21435%0.345CS..EExtended strand (participates in β ladder)trans-117.9116.3-175.5-6942.6000108.3I212 R230 A234I212-D232 WeakPolarHBondContact CG2-OD1 3.41Å; R230-D232 WeakPolarHBondContact CG-OD1 3.49Å; R230-D232 IonicContact CZ-OD1 3.94Å; R230-D232 IonicContact CZ-OD2 3.01Å; R230-D232 IonicContact NE-OD1 3.33Å; R230-D232 PolarHBondContact NE-OD1 3.48Å; R230-D232 IonicContact NE-OD2 3.58Å; R230-D232 PolarHBondContact NE-OD2 2.92Å; R230-D232 IonicContact NH2-OD1 3.28Å; R230-D232 IonicContact NH2-OD2 3.15Å; R230-D232 PolarHBondContact NH2-OD2 3.34Å; D232-A234 PolarHBondContact O-N 3.41Å
233L93.2Very high94.9Very high20 Ų2057.7 Ų57.711%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-92.295.8171.5-58.8174.9000108.3C194 E195 R198 R210 V211 H231C194-L233 HydrophobicContact CB-CD1 3.7Å; C194-L233 WeakPolarHBondContact O-CD1 3.32Å; E195-L233 HydrophobicContact CG-CD1 4.17Å; E195-L233 VanDerWaalsContact OE1-CD2 3.24Å; E195-L233 WeakPolarHBondContact OE1-CD2 3.31Å; R198-L233 HydrophobicContact CB-CB 4.47Å; R198-L233 HydrophobicContact CB-CD1 4.05Å; R198-L233 HydrophobicContact CG-CB 4.5Å; R198-L233 PolarHBondContact NE-O 3.39Å; R198-L233 PolarHBondContact NH2-O 3.01Å; R210-L233 WeakPolarHBondContact CA-O 3.36Å; V211-L233 HydrophobicContact CB-CB 4.24Å; V211-L233 PolarHBondContact N-O 3.47Å; V211-L233 PolarHBondContact O-N 3.12Å; H231-L233 WeakPolarHBondContact NE2-CD2 3.27Å
234A91Very high95Very high23 Ų2356.4 Ų56.419%0.1931%0.308CS..EExtended strand (participates in β ladder)trans-86.7151.8178.100000111.7G209 R210 D232 A265G209-A234 WeakPolarHBondContact O-CA 3.11Å; R210-A234 HydrophobicContact CG-CB 3.98Å; D232-A234 PolarHBondContact O-N 3.41Å; A234-A265 HydrophobicContact CB-CB 4.02Å
235V92.9Very high95.1Very high33 Ų3356.6 Ų56.620%0.231%0.308CS..PPolyproline II helixtrans-64.7134.2165.2174.20000108.6W103 W114 I208 G209W103-V235 HydrophobicContact CH2-CB 4.43Å; W103-V235 HydrophobicContact CH2-CG1 4.25Å; W103-V235 WeakPolarHBondContact CH2-O 3.42Å; W103-V235 VanDerWaalsContact CZ2-O 3.28Å; W103-V235 WeakPolarHBondContact CZ2-O 3.32Å; W114-V235 HydrophobicContact CH2-CB 4.11Å; W114-V235 HydrophobicContact CH2-CG1 4.21Å; W114-V235 HydrophobicContact CZ3-CB 4.09Å; W114-V235 HydrophobicContact CZ3-CG1 4.24Å; W114-V235 HydrophobicContact CZ3-CG2 4.12Å; I208-V235 WeakPolarHBondContact O-CG2 3.45Å; G209-V235 PolarHBondContact O-N 2.9Å
236E94.1Very high95.2Very high129 Ų12950.4 Ų50.460%0.60328%0.279SS*.PPolyproline II helixtrans-73.7154174.9-61.3-172.617300110.8A265 C267E236-A265 HydrophobicContact CG-CB 4.06Å; E236-C267 VanDerWaalsContact CD-SG 3.59Å; E236-C267 VanDerWaalsContact CG-SG 3.57Å
237P95.3Very high95.3Very high14 Ų1445.8 Ų45.89%0.09127%0.265CS..PPolyproline II helixtrans-51.9139169.8-24.633.6000111.4W103 A239 T241 Y264 C267W103-P237 HydrophobicContact CD2-CB 4.18Å; W103-P237 HydrophobicContact CD2-CG 4.15Å; W103-P237 HydrophobicContact CE3-CB 4.44Å; W103-P237 HydrophobicContact CG-CB 4.38Å; W103-P237 HydrophobicContact CG-CG 4.28Å; W103-P237 HydrophobicContact CZ2-CG 4.39Å; P237-A239 PolarHBondContact O-N 3.13Å; P237-A239 VanDerWaalsContact O-N 3.09Å; P237-T241 HydrophobicContact CB-CG2 3.7Å; P237-T241 HydrophobicContact CG-CG2 3.85Å; P237-Y264 HydrophobicContact CG-CD1 4.14Å; P237-C267 HydrophobicContact CG-CB 4.49Å
238P93.2Very high95.5Very high79 Ų7948.9 Ų48.951%0.51328%0.281SS..SBendtrans-70.4-10.1-17229.5-37.9000114.1V108 F112V108-P238 HydrophobicContact CG1-CG 3.6Å; F112-P238 HydrophobicContact CE1-CB 4.26Å; F112-P238 HydrophobicContact CE1-CG 4.1Å
239A97Very high95.9Very high38 Ų3848.6 Ų48.631%0.31426%0.258SS..SBendtrans-147.9161.2176.100000110.4V108 P237 T241V108-A239 HydrophobicContact CG1-CB 4Å; V108-A239 HydrophobicContact CG2-CB 4.3Å; P237-A239 PolarHBondContact O-N 3.13Å; P237-A239 VanDerWaalsContact O-N 3.09Å; A239-T241 PolarHBondContact O-N 2.96Å; A239-T241 VanDerWaalsContact O-N 3.09Å
240P98.1Very high96.1Very high82 Ų8248.9 Ų48.953%0.53226%0.256SS..  trans-59.5114.6176.9-23.934.3000112Q244 K245 M400P240-Q244 HydrophobicContact CB-CB 4.43Å; P240-Q244 HydrophobicContact CB-CG 4.37Å; P240-K245 HydrophobicContact CB-CG 4.41Å; P240-M400 WeakPolarHBondContact O-CE 3.43Å
241T98.7Very high96.3Very high2 Ų250 Ų501%0.01227%0.267CS..  trans-70.2165.4175.368.20000111.3A106 V108 P237 A239 L243 Q244 K245 Y264A106-T241 HydrophobicContact CB-CG2 4.1Å; V108-T241 HydrophobicContact CB-CG2 4.41Å; V108-T241 HydrophobicContact CG2-CG2 3.9Å; P237-T241 HydrophobicContact CB-CG2 3.7Å; P237-T241 HydrophobicContact CG-CG2 3.85Å; A239-T241 PolarHBondContact O-N 2.96Å; A239-T241 VanDerWaalsContact O-N 3.09Å; T241-L243 PolarHBondContact O-N 3.41Å; T241-L243 VanDerWaalsContact O-N 3.11Å; T241-L243 WeakPolarHBondContact OG1-CB 3.35Å; T241-L243 PolarHBondContact OG1-N 3.2Å; T241-Q244 PolarHBondContact O-N 3.44Å; T241-Q244 PolarHBondContact OG1-N 2.7Å; T241-K245 WeakPolarHBondContact O-CG 3.49Å; T241-K245 PolarHBondContact O-N 2.92Å; T241-Y264 HydrophobicContact CG2-CD1 4.21Å; T241-Y264 HydrophobicContact CG2-CE1 4.24Å
242V98.7Very high96.6Very high1 Ų146.1 Ų46.11%0.00625%0.249CC..Hα-helixtrans-58.2-25.9173.873.60000112.5A106 L246 L391 A392 M400A106-V242 HydrophobicContact CB-CG1 4.26Å; A106-V242 PolarHBondContact O-N 2.92Å; V242-L246 WeakPolarHBondContact O-CB 3.4Å; V242-L246 PolarHBondContact O-N 3.4Å; V242-L391 HydrophobicContact CG1-CB 4.35Å; V242-L391 HydrophobicContact CG1-CD1 4.19Å; V242-L391 HydrophobicContact CG2-CB 3.83Å; V242-A392 HydrophobicContact CG2-CB 4.09Å; V242-M400 HydrophobicContact CB-SD 4.09Å
243L98.8Very high96.9Very high0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-65.8-51.1174.6-50.7-176.8000110.5A106 T241 K245 L246 V247 V254 Y264 I269 I297 F299A106-L243 HydrophobicContact CB-CG 4.47Å; T241-L243 PolarHBondContact O-N 3.41Å; T241-L243 VanDerWaalsContact O-N 3.11Å; T241-L243 WeakPolarHBondContact OG1-CB 3.35Å; T241-L243 PolarHBondContact OG1-N 3.2Å; L243-K245 VanDerWaalsContact C-N 3.35Å; L243-K245 PolarHBondContact O-N 2.83Å; L243-L246 PolarHBondContact O-N 3.47Å; L243-V247 WeakPolarHBondContact O-CG2 3.44Å; L243-V247 PolarHBondContact O-N 3.5Å; L243-V254 HydrophobicContact CB-CG1 4.26Å; L243-V254 HydrophobicContact CB-CG2 4.19Å; L243-V254 HydrophobicContact CD1-CG1 4.32Å; L243-V254 HydrophobicContact CD2-CG1 4.06Å; L243-V254 HydrophobicContact CG-CG1 4.44Å; L243-Y264 HydrophobicContact CD1-CD1 4.17Å; L243-Y264 HydrophobicContact CD1-CD2 4.11Å; L243-Y264 HydrophobicContact CD1-CE1 4.03Å; L243-Y264 HydrophobicContact CD1-CE2 4.01Å; L243-Y264 HydrophobicContact CD1-CG 4.18Å; L243-I269 HydrophobicContact CD1-CD1 4.17Å; L243-I297 HydrophobicContact CD2-CD1 3.74Å; L243-I297 HydrophobicContact CD2-CG2 4.19Å; L243-F299 HydrophobicContact CD1-CD1 4.04Å; L243-F299 HydrophobicContact CD1-CE1 4.33Å; L243-F299 HydrophobicContact CD2-CD1 3.99Å; L243-F299 HydrophobicContact CD2-CE1 4.46Å
244Q98.6Very high97.2Very high46 Ų4647.6 Ų47.622%0.21525%0.254CS..Hα-helixtrans-61.6-44177.1-171.662.961.600111P240 T241 L246 V247 D248P240-Q244 HydrophobicContact CB-CB 4.43Å; P240-Q244 HydrophobicContact CB-CG 4.37Å; T241-Q244 PolarHBondContact O-N 3.44Å; T241-Q244 PolarHBondContact OG1-N 2.7Å; Q244-L246 VanDerWaalsContact C-N 3.35Å; Q244-L246 PolarHBondContact O-N 3.37Å; Q244-V247 PolarHBondContact O-N 3.31Å; Q244-D248 WeakPolarHBondContact CG-OD2 3.47Å; Q244-D248 PolarHBondContact NE2-OD1 2.8Å; Q244-D248 PolarHBondContact NE2-OD2 2.91Å; Q244-D248 WeakPolarHBondContact O-CB 3.41Å; Q244-D248 PolarHBondContact O-N 3.21Å
245K98.7Very high97.6Very high24 Ų2446.9 Ų46.910%0.10425%0.247CC..Hα-helixtrans-61.7-39.3177-68.4-172178.5-163.10113.3P240 T241 L243 V247 D248 E249 T397 S398 D399 M400P240-K245 HydrophobicContact CB-CG 4.41Å; T241-K245 WeakPolarHBondContact O-CG 3.49Å; T241-K245 PolarHBondContact O-N 2.92Å; L243-K245 VanDerWaalsContact C-N 3.35Å; L243-K245 PolarHBondContact O-N 2.83Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 3.27Å; K245-D248 PolarHBondContact O-N 3.42Å; K245-E249 WeakPolarHBondContact O-CB 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.43Å; K245-E249 PolarHBondContact O-N 3.14Å; K245-T397 HydrophobicContact CB-CG2 4.14Å; K245-S398 WeakPolarHBondContact CD-OG 3.32Å; K245-S398 WeakPolarHBondContact CE-OG 3.42Å; K245-S398 PolarHBondContact NZ-O 3.38Å; K245-S398 PolarHBondContact NZ-OG 3.13Å; K245-D399 VanDerWaalsContact NZ-C 3.3Å; K245-D399 PolarHBondContact NZ-O 3.28Å; K245-M400 HydrophobicContact CD-SD 3.69Å
246L98.7Very high97.8Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-60.9-43.3176.117964000111.1V242 L243 Q244 K250 H251 G252 V254 N295 I297 F395V242-L246 WeakPolarHBondContact O-CB 3.4Å; V242-L246 PolarHBondContact O-N 3.4Å; L243-L246 PolarHBondContact O-N 3.47Å; Q244-L246 VanDerWaalsContact C-N 3.35Å; Q244-L246 PolarHBondContact O-N 3.37Å; L246-K250 HydrophobicContact CD1-CB 4.09Å; L246-K250 HydrophobicContact CD1-CG 4.31Å; L246-K250 CarbonylContact O-C 3.6Å; L246-K250 WeakPolarHBondContact O-CB 3.35Å; L246-K250 PolarHBondContact O-N 3.4Å; L246-H251 PolarHBondContact O-N 2.79Å; L246-G252 PolarHBondContact O-N 3.16Å; L246-V254 HydrophobicContact CD2-CG2 4.08Å; L246-N295 HydrophobicContact CD1-CB 4.15Å; L246-I297 HydrophobicContact CD2-CB 4.18Å; L246-I297 HydrophobicContact CD2-CD1 3.5Å; L246-I297 VanDerWaalsContact CD2-CD1 3.5Å; L246-I297 HydrophobicContact CD2-CG1 3.53Å; L246-F395 HydrophobicContact CD1-CB 3.91Å; L246-F395 HydrophobicContact CD1-CD1 3.69Å; L246-F395 HydrophobicContact CD1-CD2 4.08Å; L246-F395 HydrophobicContact CD1-CE1 4.19Å; L246-F395 HydrophobicContact CD1-CG 3.63Å; L246-F395 HydrophobicContact CD2-CD2 4.46Å; L246-F395 HydrophobicContact CD2-CE1 4.47Å; L246-F395 HydrophobicContact CD2-CE2 4.23Å; L246-F395 HydrophobicContact CD2-CZ 4.23Å
247V98.6Very high98.1Very high32 Ų3239.2 Ų39.219%0.19421%0.21CC..Hα-helixtrans-65.9-52177.6177.20000110.8L243 Q244 K245 H251 V254 T270L243-V247 WeakPolarHBondContact O-CG2 3.44Å; L243-V247 PolarHBondContact O-N 3.5Å; Q244-V247 PolarHBondContact O-N 3.31Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 3.27Å; V247-H251 WeakPolarHBondContact O-CA 3.34Å; V247-H251 PolarHBondContact O-N 3.33Å; V247-V254 HydrophobicContact CG2-CG2 3.91Å; V247-T270 HydrophobicContact CB-CG2 4.42Å; V247-T270 HydrophobicContact CG1-CG2 4.05Å; V247-T270 HydrophobicContact CG2-CG2 3.46Å; V247-T270 VanDerWaalsContact CG2-CG2 3.46Å
248D98.5Very high98.1Very high96 Ų9639.4 Ų39.451%0.51321%0.214SC..Hα-helixtrans-75.3-41.2-170.5-66.7-16.7000113Q244 K245Q244-D248 WeakPolarHBondContact CG-OD2 3.47Å; Q244-D248 PolarHBondContact NE2-OD1 2.8Å; Q244-D248 PolarHBondContact NE2-OD2 2.91Å; Q244-D248 WeakPolarHBondContact O-CB 3.41Å; Q244-D248 PolarHBondContact O-N 3.21Å; K245-D248 PolarHBondContact O-N 3.42Å
249E98.5Very high98.2Very high75 Ų7540.2 Ų40.235%0.3521%0.21SC..Hα-helixtrans-93.9-23.6-171.7-55.6-178.9-161.500113.5K245 T397 S398K245-E249 WeakPolarHBondContact O-CB 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.43Å; K245-E249 PolarHBondContact O-N 3.14Å; E249-T397 WeakPolarHBondContact OE2-CA 3.39Å; E249-T397 WeakPolarHBondContact OE2-CB 3.21Å; E249-S398 WeakPolarHBondContact OE1-CB 3.19Å; E249-S398 PolarHBondContact OE1-OG 3.22Å; E249-S398 PolarHBondContact OE2-N 2.62Å
250K97.9Very high98.2Very high72 Ų7238.4 Ų38.431%0.31320%0.195SC..Hα-helixtrans-120.40-177.1-53.3-61.3172.6-157.10113.8L246 G252 G396 T397L246-K250 HydrophobicContact CD1-CB 4.09Å; L246-K250 HydrophobicContact CD1-CG 4.31Å; L246-K250 CarbonylContact O-C 3.6Å; L246-K250 WeakPolarHBondContact O-CB 3.35Å; L246-K250 PolarHBondContact O-N 3.4Å; K250-G252 PolarHBondContact O-N 3.06Å; K250-G252 VanDerWaalsContact O-N 3.13Å; K250-G396 WeakPolarHBondContact CE-O 3.06Å; K250-G396 PolarHBondContact NZ-O 3.11Å; K250-T397 HydrophobicContact CG-CG2 3.84Å
251H98Very high98.1Very high160 Ų16034.8 Ų34.874%0.74117%0.172SC*.  trans51.932.1-171.4-52.1-57.9000111.6L246 V247L246-H251 PolarHBondContact O-N 2.79Å; V247-H251 WeakPolarHBondContact O-CA 3.34Å; V247-H251 PolarHBondContact O-N 3.33Å
252G98.5Very high97.8Very high2 Ų239.7 Ų39.72%0.02120%0.198CC..  trans-75178.6-177.700000112L246 K250 N295L246-G252 PolarHBondContact O-N 3.16Å; K250-G252 PolarHBondContact O-N 3.06Å; K250-G252 VanDerWaalsContact O-N 3.13Å; G252-N295 CarbonylContact C-O 3.47Å; G252-N295 WeakPolarHBondContact CA-O 3.37Å
253Q98.7Very high97.6Very high91 Ų9140.3 Ų40.343%0.42520%0.201SC..EExtended strand (participates in β ladder)trans-119.1137.5-179.6-62.1-61-52.300109.9T270 N295 T296 I297Q253-T270 WeakPolarHBondContact CA-OG1 3.44Å; Q253-T270 VanDerWaalsContact OE1-CB 3.27Å; Q253-T270 PolarHBondContact OE1-OG1 2.8Å; Q253-N295 PolarHBondContact N-O 2.68Å; Q253-T296 HydrophobicContact CB-CG2 4.17Å; Q253-T296 CarbonylContact O-C 3.09Å; Q253-T296 VanDerWaalsContact O-CA 3.26Å; Q253-T296 WeakPolarHBondContact O-CA 3.49Å; Q253-I297 PolarHBondContact O-N 3Å
254V98.9Very high97.5Very high0 Ų040.3 Ų40.30%020%0.201CC..EExtended strand (participates in β ladder)trans-125.6109.8174.5179.80000107.7L243 L246 V247 G268 I269 T270 K271 I297L243-V254 HydrophobicContact CB-CG1 4.26Å; L243-V254 HydrophobicContact CB-CG2 4.19Å; L243-V254 HydrophobicContact CD1-CG1 4.32Å; L243-V254 HydrophobicContact CD2-CG1 4.06Å; L243-V254 HydrophobicContact CG-CG1 4.44Å; L246-V254 HydrophobicContact CD2-CG2 4.08Å; V247-V254 HydrophobicContact CG2-CG2 3.91Å; V254-G268 WeakPolarHBondContact CB-O 3.25Å; V254-G268 VanDerWaalsContact CG2-O 3.23Å; V254-G268 WeakPolarHBondContact CG2-O 3.31Å; V254-I269 HydrophobicContact CG1-CD1 3.71Å; V254-T270 PolarHBondContact N-OG1 2.93Å; V254-T270 PolarHBondContact O-N 3.11Å; V254-T270 PolarHBondContact O-OG1 2.87Å; V254-K271 PolarHBondContact O-N 2.67Å; V254-K271 VanDerWaalsContact O-N 3.08Å; V254-I297 WeakPolarHBondContact CA-O 3.5Å; V254-I297 HydrophobicContact CG2-CB 4.38Å
255V98.9Very high97.2Very high8 Ų839.1 Ų39.15%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-96.6108.1177.6-171.90000108.5V257 K271 V273 E288 T296 I297 V298 F299V255-V257 HydrophobicContact CG1-CG2 4.46Å; V255-K271 CarbonylContact C-O 3.52Å; V255-K271 WeakPolarHBondContact CA-O 3.07Å; V255-K271 HydrophobicContact CG1-CB 4.32Å; V255-K271 HydrophobicContact CG1-CD 4.16Å; V255-K271 HydrophobicContact CG1-CG 4.28Å; V255-K271 HydrophobicContact CG2-CB 4.23Å; V255-K271 HydrophobicContact CG2-CD 4.31Å; V255-V273 HydrophobicContact CG1-CG2 3.95Å; V255-E288 HydrophobicContact CG1-CB 4.05Å; V255-E288 HydrophobicContact CG1-CG 3.81Å; V255-T296 HydrophobicContact CG2-CG2 4.39Å; V255-I297 PolarHBondContact N-O 2.67Å; V255-V298 HydrophobicContact CB-CG1 4.42Å; V255-V298 HydrophobicContact CB-CG2 4.35Å; V255-V298 WeakPolarHBondContact O-CA 3.37Å; V255-F299 PolarHBondContact O-N 2.58Å
256S98.6Very high97.1Very high1 Ų141.6 Ų41.61%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-84.9129.8172.566.50000110A261 I269 K271 K272 V273S256-A261 WeakPolarHBondContact OG-CB 3.48Å; S256-I269 WeakPolarHBondContact OG-CG2 3.34Å; S256-K271 PolarHBondContact N-O 2.79Å; S256-K271 PolarHBondContact OG-O 3.13Å; S256-K272 WeakPolarHBondContact OG-CA 3.37Å; S256-V273 PolarHBondContact O-N 3.29Å
257V98.7Very high97Very high0 Ų042.5 Ų42.50%022%0.22CC..EExtended strand (participates in β ladder)trans-115.7130.9173.8-176.30000109.4V255 V273 L281 A284 V298 F299 T300 N301V255-V257 HydrophobicContact CG1-CG2 4.46Å; V257-V273 WeakPolarHBondContact CA-O 3.37Å; V257-V273 HydrophobicContact CG2-CB 4.34Å; V257-L281 HydrophobicContact CG1-CD2 4.15Å; V257-A284 HydrophobicContact CG1-CB 3.74Å; V257-V298 HydrophobicContact CG2-CG1 3.99Å; V257-F299 PolarHBondContact N-O 2.71Å; V257-T300 HydrophobicContact CB-CG2 3.99Å; V257-T300 WeakPolarHBondContact CB-OG1 3.5Å; V257-T300 HydrophobicContact CG1-CG2 3.96Å; V257-N301 PolarHBondContact O-N 2.9Å
258G96.3Very high97Very high18 Ų1841.1 Ų41.119%0.18621%0.212CC..THydrogen-bonded Turntrans76.4-129.7-177.400000112V273G258-V273 PolarHBondContact N-O 3.27Å
259K94.2Very high97Very high96 Ų9638 Ų3842%0.41719%0.194SC..THydrogen-bonded Turntrans-82.4-6-173.7-70.6-162.7-174.6165.90115.4A261 D262 I263 V303K259-A261 VanDerWaalsContact C-N 3.32Å; K259-A261 PolarHBondContact O-N 3.16Å; K259-D262 PolarHBondContact O-N 3.3Å; K259-I263 HydrophobicContact CB-CD1 3.91Å; K259-I263 HydrophobicContact CB-CG1 4.35Å; K259-I263 WeakPolarHBondContact O-CG1 3.49Å; K259-I263 PolarHBondContact O-N 3.2Å; K259-V303 HydrophobicContact CD-CB 4.48Å; K259-V303 HydrophobicContact CD-CG2 3.86Å
260I97.6Very high97Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-54-45.1-173.5-67.4-63.4000112.4H102 D262 I263 Y264 I269 F299 N301H102-I260 WeakPolarHBondContact CE1-CD1 3.49Å; I260-D262 VanDerWaalsContact C-N 3.27Å; I260-D262 PolarHBondContact O-N 3.04Å; I260-I263 HydrophobicContact CD1-CD1 4.5Å; I260-I263 PolarHBondContact O-N 3.4Å; I260-Y264 HydrophobicContact CD1-CE2 4.34Å; I260-Y264 HydrophobicContact CG2-CD2 3.85Å; I260-Y264 HydrophobicContact CG2-CE2 4Å; I260-Y264 VanDerWaalsContact O-CD2 3.31Å; I260-Y264 WeakPolarHBondContact O-CD2 3.06Å; I260-Y264 PolarHBondContact O-N 3.13Å; I260-Y264 VanDerWaalsContact O-N 3.11Å; I260-I269 HydrophobicContact CG2-CD1 4.24Å; I260-F299 HydrophobicContact CD1-CD2 3.35Å; I260-F299 HydrophobicContact CD1-CE2 3.36Å; I260-F299 HydrophobicContact CD1-CG 4.02Å; I260-F299 HydrophobicContact CD1-CZ 4.06Å; I260-F299 HydrophobicContact CG1-CB 4.43Å; I260-F299 HydrophobicContact CG1-CD2 3.73Å; I260-F299 HydrophobicContact CG1-CE2 4.26Å; I260-F299 HydrophobicContact CG1-CG 4.15Å; I260-F299 WeakPolarHBondContact CG1-O 3.36Å; I260-F299 HydrophobicContact CG2-CB 4.15Å; I260-F299 HydrophobicContact CG2-CD1 4.36Å; I260-F299 HydrophobicContact CG2-CD2 4.47Å; I260-F299 HydrophobicContact CG2-CG 4.08Å; I260-N301 HydrophobicContact CD1-CB 3.74Å; I260-N301 HydrophobicContact CG1-CB 3.95Å
261A96.1Very high97Very high6 Ų637.1 Ų37.15%0.0519%0.194CC..Hα-helixtrans-58.7-39.617900000113S256 K259 A265 N266 I269 K272S256-A261 WeakPolarHBondContact OG-CB 3.48Å; K259-A261 VanDerWaalsContact C-N 3.32Å; K259-A261 PolarHBondContact O-N 3.16Å; A261-A265 PolarHBondContact O-N 3.19Å; A261-N266 PolarHBondContact O-N 3.2Å; A261-I269 HydrophobicContact CB-CG2 4.44Å; A261-K272 HydrophobicContact CB-CB 4.18Å
262D92.2Very high97Very high105 Ų10536.2 Ų36.256%0.56119%0.188SC*.Hα-helixtrans-72.3-37.3-179.6-59.4-26.8000111K259 I260 Y264 A265K259-D262 PolarHBondContact O-N 3.3Å; I260-D262 VanDerWaalsContact C-N 3.27Å; I260-D262 PolarHBondContact O-N 3.04Å; D262-Y264 VanDerWaalsContact C-N 3.34Å; D262-Y264 PolarHBondContact O-N 3.33Å; D262-A265 PolarHBondContact O-N 2.73Å
263I94.2Very high97Very high15 Ų1537.4 Ų37.48%0.07720%0.195CC..Hα-helixtrans-64.3-37.8179.2-66.8163.6000111.6T98 H102 W103 K259 I260T98-I263 HydrophobicContact CG2-CD1 3.64Å; T98-I263 HydrophobicContact CG2-CG1 3.95Å; T98-I263 HydrophobicContact CG2-CG2 4.46Å; H102-I263 HydrophobicContact CB-CG2 3.51Å; W103-I263 PolarHBondContact NE1-O 2.92Å; K259-I263 HydrophobicContact CB-CD1 3.91Å; K259-I263 HydrophobicContact CB-CG1 4.35Å; K259-I263 WeakPolarHBondContact O-CG1 3.49Å; K259-I263 PolarHBondContact O-N 3.2Å; I260-I263 HydrophobicContact CD1-CD1 4.5Å; I260-I263 PolarHBondContact O-N 3.4Å
264Y96.6Very high96.9Very high0 Ų042.4 Ų42.40%022%0.215CC..THydrogen-bonded Turntrans-96.213.6178.4-68.2-87.1000113.5H102 W103 A106 P237 T241 L243 I260 D262 N266 C267 F299H102-Y264 HydrophobicContact CB-CE2 4.2Å; H102-Y264 PolarHBondContact O-OH 2.91Å; W103-Y264 AromaticContact CD1-CD1 3.64Å; W103-Y264 AromaticContact CD1-CE1 3.67Å; A106-Y264 HydrophobicContact CB-CE1 3.65Å; A106-Y264 WeakPolarHBondContact CB-OH 3.28Å; P237-Y264 HydrophobicContact CG-CD1 4.14Å; T241-Y264 HydrophobicContact CG2-CD1 4.21Å; T241-Y264 HydrophobicContact CG2-CE1 4.24Å; L243-Y264 HydrophobicContact CD1-CD1 4.17Å; L243-Y264 HydrophobicContact CD1-CD2 4.11Å; L243-Y264 HydrophobicContact CD1-CE1 4.03Å; L243-Y264 HydrophobicContact CD1-CE2 4.01Å; L243-Y264 HydrophobicContact CD1-CG 4.18Å; I260-Y264 HydrophobicContact CD1-CE2 4.34Å; I260-Y264 HydrophobicContact CG2-CD2 3.85Å; I260-Y264 HydrophobicContact CG2-CE2 4Å; I260-Y264 VanDerWaalsContact O-CD2 3.31Å; I260-Y264 WeakPolarHBondContact O-CD2 3.06Å; I260-Y264 PolarHBondContact O-N 3.13Å; I260-Y264 VanDerWaalsContact O-N 3.11Å; D262-Y264 VanDerWaalsContact C-N 3.34Å; D262-Y264 PolarHBondContact O-N 3.33Å; Y264-N266 PolarHBondContact O-N 3.09Å; Y264-C267 WeakPolarHBondContact O-CB 3.42Å; Y264-C267 PolarHBondContact O-N 3.02Å; Y264-C267 PolarHBondContact O-SG 2.64Å; Y264-C267 VanDerWaalsContact O-SG 3.37Å; Y264-F299 HydrophobicContact CE2-CE1 4.05Å; Y264-F299 HydrophobicContact CE2-CZ 4.37Å; Y264-F299 VanDerWaalsContact OH-CE1 3.25Å; Y264-F299 WeakPolarHBondContact OH-CE1 3.36Å
265A94.1Very high96.7Very high20 Ų2043.4 Ų43.417%0.16522%0.224CC..THydrogen-bonded Turntrans52.230.7-176.400000113.9A234 E236 A261 D262 C267A234-A265 HydrophobicContact CB-CB 4.02Å; E236-A265 HydrophobicContact CG-CB 4.06Å; A261-A265 PolarHBondContact O-N 3.19Å; D262-A265 PolarHBondContact O-N 2.73Å; A265-C267 PolarHBondContact O-N 3.23Å
266N95.5Very high96.5Very high76 Ų7649.1 Ų49.141%0.40626%0.259SS..THydrogen-bonded Turntrans652.2-170.6-53.1-96.6000115.8A261 Y264 G268 I269A261-N266 PolarHBondContact O-N 3.2Å; Y264-N266 PolarHBondContact O-N 3.09Å; N266-G268 PolarHBondContact O-N 3.27Å; N266-I269 PolarHBondContact O-N 3.04Å; N266-I269 VanDerWaalsContact O-N 3.16Å
267C97.3Very high96.4Very high20 Ų2050.1 Ų50.114%0.13527%0.269CS..THydrogen-bonded Turntrans-60.7127.1175.3-57.50000110.6E236 P237 Y264 A265 I269E236-C267 VanDerWaalsContact CD-SG 3.59Å; E236-C267 VanDerWaalsContact CG-SG 3.57Å; P237-C267 HydrophobicContact CG-CB 4.49Å; Y264-C267 WeakPolarHBondContact O-CB 3.42Å; Y264-C267 PolarHBondContact O-N 3.02Å; Y264-C267 PolarHBondContact O-SG 2.64Å; Y264-C267 VanDerWaalsContact O-SG 3.37Å; A265-C267 PolarHBondContact O-N 3.23Å; C267-I269 PolarHBondContact O-N 2.89Å
268G98Very high96.3Very high3 Ų350.7 Ų50.73%0.03127%0.272CS..THydrogen-bonded Turntrans69.313-179.200000115.1V254 N266V254-G268 WeakPolarHBondContact CB-O 3.25Å; V254-G268 VanDerWaalsContact CG2-O 3.23Å; V254-G268 WeakPolarHBondContact CG2-O 3.31Å; N266-G268 PolarHBondContact O-N 3.27Å
269I98.4Very high96.4Very high29 Ų2953.5 Ų53.515%0.14928%0.283CS..  trans-100122.9-178.9-54.1-52.4000110.9L243 V254 S256 I260 A261 N266 C267L243-I269 HydrophobicContact CD1-CD1 4.17Å; V254-I269 HydrophobicContact CG1-CD1 3.71Å; S256-I269 WeakPolarHBondContact OG-CG2 3.34Å; I260-I269 HydrophobicContact CG2-CD1 4.24Å; A261-I269 HydrophobicContact CB-CG2 4.44Å; N266-I269 PolarHBondContact O-N 3.04Å; N266-I269 VanDerWaalsContact O-N 3.16Å; C267-I269 PolarHBondContact O-N 2.89Å
270T98.5Very high96.6Very high54 Ų5451 Ų5133%0.33128%0.279SS..SBendtrans-99.1-26.6177.968.90000113.3V247 Q253 V254V247-T270 HydrophobicContact CB-CG2 4.42Å; V247-T270 HydrophobicContact CG1-CG2 4.05Å; V247-T270 HydrophobicContact CG2-CG2 3.46Å; V247-T270 VanDerWaalsContact CG2-CG2 3.46Å; Q253-T270 WeakPolarHBondContact CA-OG1 3.44Å; Q253-T270 VanDerWaalsContact OE1-CB 3.27Å; Q253-T270 PolarHBondContact OE1-OG1 2.8Å; V254-T270 PolarHBondContact N-OG1 2.93Å; V254-T270 PolarHBondContact O-N 3.11Å; V254-T270 PolarHBondContact O-OG1 2.87Å
271K98.6Very high96.7Very high75 Ų7551 Ų5133%0.32628%0.28SS..EExtended strand (participates in β ladder)trans-141.7129.3176.6-177.7179.8176.9-174.50110.3V254 V255 S256 V273 E288 E291V254-K271 PolarHBondContact O-N 2.67Å; V254-K271 VanDerWaalsContact O-N 3.08Å; V255-K271 CarbonylContact C-O 3.52Å; V255-K271 WeakPolarHBondContact CA-O 3.07Å; V255-K271 HydrophobicContact CG1-CB 4.32Å; V255-K271 HydrophobicContact CG1-CD 4.16Å; V255-K271 HydrophobicContact CG1-CG 4.28Å; V255-K271 HydrophobicContact CG2-CB 4.23Å; V255-K271 HydrophobicContact CG2-CD 4.31Å; S256-K271 PolarHBondContact N-O 2.79Å; S256-K271 PolarHBondContact OG-O 3.13Å; K271-V273 HydrophobicContact CD-CG2 4.46Å; K271-V273 HydrophobicContact CG-CG2 4.28Å; K271-E288 VanDerWaalsContact CE-OE2 3.27Å; K271-E288 WeakPolarHBondContact CE-OE2 3.34Å; K271-E288 IonicContact NZ-OE1 2.71Å; K271-E288 PolarHBondContact NZ-OE1 3.1Å; K271-E288 IonicContact NZ-OE2 3.29Å; K271-E288 PolarHBondContact NZ-OE2 3.27Å; K271-E291 IonicContact NZ-OE2 2.98Å; K271-E291 PolarHBondContact NZ-OE2 2.95Å
272K97.9Very high96.8Very high142 Ų14250.8 Ų50.862%0.61728%0.277SS*.EExtended strand (participates in β ladder)trans-108123175.756.7-175173.5-170.20112.2S256 A261S256-K272 WeakPolarHBondContact OG-CA 3.37Å; A261-K272 HydrophobicContact CB-CB 4.18Å
273V98.4Very high97.1Very high26 Ų2649.9 Ų49.916%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-116.7113.2178.6-178.90000108.8V255 S256 V257 G258 K271 A284 E288V255-V273 HydrophobicContact CG1-CG2 3.95Å; S256-V273 PolarHBondContact O-N 3.29Å; V257-V273 WeakPolarHBondContact CA-O 3.37Å; V257-V273 HydrophobicContact CG2-CB 4.34Å; G258-V273 PolarHBondContact N-O 3.27Å; K271-V273 HydrophobicContact CD-CG2 4.46Å; K271-V273 HydrophobicContact CG-CG2 4.28Å; V273-A284 HydrophobicContact CG1-CB 3.99Å; V273-E288 HydrophobicContact CG2-CG 4.02Å
274K95.4Very high97.3Very high197 Ų19749.9 Ų49.986%0.85728%0.275SS*.  trans-81.2129175.5-65.4-172.3177.4-172.80109.7
275A96Very high97.4Very high21 Ų2149.9 Ų49.917%0.17428%0.275CS..  trans-151.1151.3170.300000108.5A280 L281 A284A275-A280 HydrophobicContact CB-CB 4.27Å; A275-L281 HydrophobicContact CB-CD2 3.86Å; A275-L281 HydrophobicContact CB-CG 4.23Å; A275-L281 WeakPolarHBondContact O-CD2 3.37Å; A275-A284 HydrophobicContact CB-CB 4.01Å
276T93.8Very high97.6Very high128 Ų12849.7 Ų49.779%0.78527%0.271SS*.  trans-140.5132.7-177.2-55.50000108.9A280T276-A280 VanDerWaalsContact O-CB 3.31Å; T276-A280 WeakPolarHBondContact O-CB 3.44Å
277G96.2Very high97.8Very high21 Ų2150.9 Ų50.922%0.21627%0.273CS..SBendtrans90.3144.5-174.100000111.8D279 A280 L281 D304G277-D279 PolarHBondContact O-N 3.04Å; G277-A280 PolarHBondContact O-N 3.14Å; G277-A280 VanDerWaalsContact O-N 3.13Å; G277-L281 WeakPolarHBondContact O-CG 3.41Å; G277-L281 PolarHBondContact O-N 3.06Å; G277-D304 WeakPolarHBondContact CA-OD2 3.23Å; G277-D304 PolarHBondContact N-OD2 3.4Å
278L97.5Very high97.9Very high13 Ų1350.1 Ų50.17%0.06827%0.267CS..Hα-helixtrans-48.6-52.2-174.5-179.452.4000113.4L281 F282 F302 D304 F305 W309 G321 L324 F325L278-L281 PolarHBondContact O-N 3.27Å; L278-F282 WeakPolarHBondContact O-CB 3.17Å; L278-F282 PolarHBondContact O-N 3.49Å; L278-F302 HydrophobicContact CD1-CD1 3.47Å; L278-F302 VanDerWaalsContact CD1-CD1 3.47Å; L278-F302 HydrophobicContact CD1-CE1 4.01Å; L278-F302 HydrophobicContact CD1-CG 4.35Å; L278-D304 PolarHBondContact N-OD2 3.39Å; L278-F305 HydrophobicContact CD1-CE2 4.14Å; L278-F305 HydrophobicContact CD1-CZ 4.36Å; L278-F305 HydrophobicContact CD2-CZ 4.31Å; L278-W309 HydrophobicContact CD2-CH2 3.92Å; L278-W309 HydrophobicContact CD2-CZ3 4.36Å; L278-G321 WeakPolarHBondContact CD2-O 3.28Å; L278-L324 HydrophobicContact CD2-CB 4.2Å; L278-L324 HydrophobicContact CD2-CD2 3.91Å; L278-L324 HydrophobicContact CD2-CG 4.22Å; L278-L324 HydrophobicContact CG-CD2 4.32Å; L278-F325 HydrophobicContact CD1-CD2 4.15Å
279D98.2Very high97.9Very high77 Ų7750 Ų5041%0.41227%0.266SS..Hα-helixtrans-64.7-41.8-179.5-82.9-49.2000113.2G277 L281 F282 D283 R328G277-D279 PolarHBondContact O-N 3.04Å; D279-L281 VanDerWaalsContact C-N 3.35Å; D279-L281 PolarHBondContact O-N 3.24Å; D279-F282 PolarHBondContact O-N 3.38Å; D279-D283 WeakPolarHBondContact O-CB 3.42Å; D279-D283 PolarHBondContact O-N 3.29Å; D279-R328 IonicContact OD1-CZ 3.67Å; D279-R328 IonicContact OD1-NH1 3.89Å; D279-R328 PolarHBondContact OD1-NH1 3.42Å
280A98.5Very high97.9Very high42 Ų4254.7 Ų54.735%0.34729%0.285SS..Hα-helixtrans-67.9-37.3-179.800000111.7A275 T276 G277 F282 A284A275-A280 HydrophobicContact CB-CB 4.27Å; T276-A280 VanDerWaalsContact O-CB 3.31Å; T276-A280 WeakPolarHBondContact O-CB 3.44Å; G277-A280 PolarHBondContact O-N 3.14Å; G277-A280 VanDerWaalsContact O-N 3.13Å; A280-F282 VanDerWaalsContact C-N 3.35Å; A280-A284 VanDerWaalsContact O-CB 3.22Å; A280-A284 WeakPolarHBondContact O-CB 3.27Å; A280-A284 PolarHBondContact O-N 3.19Å
281L98.7Very high97.9Very high1 Ų157.2 Ų57.21%0.00529%0.293CS..Hα-helixtrans-64.3-42.2173.8-70.5162.7000110.7V257 A275 G277 L278 D279 T285 T300 F302 V303V257-L281 HydrophobicContact CG1-CD2 4.15Å; A275-L281 HydrophobicContact CB-CD2 3.86Å; A275-L281 HydrophobicContact CB-CG 4.23Å; A275-L281 WeakPolarHBondContact O-CD2 3.37Å; G277-L281 WeakPolarHBondContact O-CG 3.41Å; G277-L281 PolarHBondContact O-N 3.06Å; L278-L281 PolarHBondContact O-N 3.27Å; D279-L281 VanDerWaalsContact C-N 3.35Å; D279-L281 PolarHBondContact O-N 3.24Å; L281-T285 WeakPolarHBondContact O-CB 3.36Å; L281-T285 PolarHBondContact O-N 3.3Å; L281-T285 PolarHBondContact O-OG1 3.44Å; L281-T300 HydrophobicContact CB-CG2 4.29Å; L281-T300 HydrophobicContact CD2-CG2 4.49Å; L281-F302 HydrophobicContact CB-CD1 3.93Å; L281-F302 HydrophobicContact CB-CE1 3.87Å; L281-F302 HydrophobicContact CD1-CD1 4.47Å; L281-V303 HydrophobicContact CD1-CG1 4.44Å
282F98.7Very high97.8Very high1 Ų154 Ų540%0.00428%0.28CS..Hα-helixtrans-66.5-46177.8-150.4-72.6000111.8L278 D279 A280 A284 T285 I286 F302 F325 R328 E331 L332L278-F282 WeakPolarHBondContact O-CB 3.17Å; L278-F282 PolarHBondContact O-N 3.49Å; D279-F282 PolarHBondContact O-N 3.38Å; A280-F282 VanDerWaalsContact C-N 3.35Å; F282-A284 PolarHBondContact O-N 2.98Å; F282-T285 WeakPolarHBondContact O-CB 3.46Å; F282-T285 PolarHBondContact O-N 3.46Å; F282-I286 HydrophobicContact CD1-CG1 3.87Å; F282-I286 HydrophobicContact CE1-CD1 4.13Å; F282-I286 HydrophobicContact CE1-CG1 3.98Å; F282-I286 WeakPolarHBondContact O-CG1 3.24Å; F282-I286 PolarHBondContact O-N 2.79Å; F282-F302 HydrophobicContact CB-CE1 4.1Å; F282-F302 AromaticContact CD2-CE1 3.89Å; F282-F302 HydrophobicContact CD2-CE1 3.89Å; F282-F302 HydrophobicContact CD2-CZ 4.01Å; F282-F302 HydrophobicContact CG-CE1 4.39Å; F282-F325 AromaticContact CD2-CD2 3.86Å; F282-F325 HydrophobicContact CD2-CD2 3.86Å; F282-F325 AromaticContact CD2-CE2 3.96Å; F282-F325 HydrophobicContact CD2-CE2 3.96Å; F282-F325 AromaticContact CE2-CD2 3.72Å; F282-F325 HydrophobicContact CE2-CD2 3.72Å; F282-F325 AromaticContact CE2-CE2 3.67Å; F282-F325 HydrophobicContact CE2-CE2 3.67Å; F282-F325 HydrophobicContact CE2-CG 4.31Å; F282-F325 HydrophobicContact CE2-CZ 4.22Å; F282-R328 HydrophobicContact CD1-CB 4.23Å; F282-R328 HydrophobicContact CD2-CB 4.3Å; F282-R328 HydrophobicContact CE1-CB 3.67Å; F282-R328 HydrophobicContact CE2-CB 3.75Å; F282-R328 VanDerWaalsContact CZ-C 3.48Å; F282-R328 HydrophobicContact CZ-CB 3.4Å; F282-R328 WeakPolarHBondContact CZ-O 3.15Å; F282-E331 HydrophobicContact CE1-CB 4.46Å; F282-L332 HydrophobicContact CD1-CD2 4.5Å; F282-L332 HydrophobicContact CE1-CD1 4.07Å; F282-L332 HydrophobicContact CE1-CD2 3.86Å; F282-L332 HydrophobicContact CE1-CG 3.65Å; F282-L332 HydrophobicContact CE2-CD1 3.81Å; F282-L332 HydrophobicContact CE2-CG 4.31Å; F282-L332 HydrophobicContact CZ-CD1 3.39Å; F282-L332 HydrophobicContact CZ-CD2 4.07Å; F282-L332 HydrophobicContact CZ-CG 3.43Å; F282-L332 VanDerWaalsContact CZ-CG 3.43Å
283D98.8Very high97.8Very high86 Ų8648.7 Ų48.746%0.4627%0.267SS..Hα-helixtrans-63.1-43178.5-72.1-10.3000111.8D279 T285 I286 K287 R328D279-D283 WeakPolarHBondContact O-CB 3.42Å; D279-D283 PolarHBondContact O-N 3.29Å; D283-T285 VanDerWaalsContact C-N 3.33Å; D283-I286 PolarHBondContact O-N 2.96Å; D283-K287 WeakPolarHBondContact O-CB 3.5Å; D283-K287 PolarHBondContact O-N 3.47Å; D283-R328 IonicContact OD1-CZ 3.21Å; D283-R328 VanDerWaalsContact OD1-CZ 3.29Å; D283-R328 IonicContact OD1-NH1 3.23Å; D283-R328 PolarHBondContact OD1-NH1 2.99Å; D283-R328 IonicContact OD1-NH2 3.5Å; D283-R328 PolarHBondContact OD1-NH2 2.8Å
284A98.8Very high97.8Very high16 Ų1651.5 Ų51.513%0.13228%0.28CS..Hα-helixtrans-60.4-44.4173.100000111V257 V273 A275 A280 F282 I286 K287 E288V257-A284 HydrophobicContact CG1-CB 3.74Å; V273-A284 HydrophobicContact CG1-CB 3.99Å; A275-A284 HydrophobicContact CB-CB 4.01Å; A280-A284 VanDerWaalsContact O-CB 3.22Å; A280-A284 WeakPolarHBondContact O-CB 3.27Å; A280-A284 PolarHBondContact O-N 3.19Å; F282-A284 PolarHBondContact O-N 2.98Å; A284-I286 PolarHBondContact O-N 2.93Å; A284-K287 WeakPolarHBondContact O-CB 3.28Å; A284-K287 PolarHBondContact O-N 2.99Å; A284-E288 VanDerWaalsContact O-CG 3.28Å; A284-E288 WeakPolarHBondContact O-CG 2.99Å; A284-E288 PolarHBondContact O-N 3.18Å
285T98.8Very high97.9Very high0 Ų044 Ų440%025%0.25CS..Hα-helixtrans-58.2-50.5176.1-580000111.5M7 L281 F282 D283 K287 E288 M289 T300 L332M7-T285 HydrophobicContact CE-CG2 3.62Å; M7-T285 HydrophobicContact SD-CG2 3.64Å; L281-T285 WeakPolarHBondContact O-CB 3.36Å; L281-T285 PolarHBondContact O-N 3.3Å; L281-T285 PolarHBondContact O-OG1 3.44Å; F282-T285 WeakPolarHBondContact O-CB 3.46Å; F282-T285 PolarHBondContact O-N 3.46Å; D283-T285 VanDerWaalsContact C-N 3.33Å; T285-K287 VanDerWaalsContact C-N 3.29Å; T285-K287 PolarHBondContact O-N 2.98Å; T285-E288 PolarHBondContact O-N 3.38Å; T285-E288 VanDerWaalsContact O-N 3.15Å; T285-M289 HydrophobicContact CG2-CG 4.24Å; T285-M289 HydrophobicContact CG2-SD 3.99Å; T285-M289 WeakPolarHBondContact O-CB 3.21Å; T285-M289 VanDerWaalsContact O-CG 3.27Å; T285-M289 WeakPolarHBondContact O-CG 3.27Å; T285-M289 PolarHBondContact O-N 2.96Å; T285-T300 WeakPolarHBondContact OG1-CG2 3.37Å; T285-T300 PolarHBondContact OG1-OG1 2.8Å; T285-L332 HydrophobicContact CG2-CD2 3.9Å
286I98.7Very high98Very high16 Ų1643.2 Ų43.28%0.08224%0.243CC..Hα-helixtrans-57.7-42.9178.6-71.9-72.9000111.4F282 D283 A284 K290 E331 L332 L335F282-I286 HydrophobicContact CD1-CG1 3.87Å; F282-I286 HydrophobicContact CE1-CD1 4.13Å; F282-I286 HydrophobicContact CE1-CG1 3.98Å; F282-I286 WeakPolarHBondContact O-CG1 3.24Å; F282-I286 PolarHBondContact O-N 2.79Å; D283-I286 PolarHBondContact O-N 2.96Å; A284-I286 PolarHBondContact O-N 2.93Å; I286-K290 HydrophobicContact CG2-CD 4.32Å; I286-K290 WeakPolarHBondContact O-CG 3.41Å; I286-K290 PolarHBondContact O-N 3.49Å; I286-E331 HydrophobicContact CD1-CB 3.91Å; I286-L332 HydrophobicContact CD1-CD2 3.56Å; I286-L332 HydrophobicContact CD1-CG 4.22Å; I286-L332 HydrophobicContact CG1-CD2 4.08Å; I286-L335 HydrophobicContact CD1-CD1 3.54Å; I286-L335 HydrophobicContact CG2-CD1 4.13Å
287K98.7Very high98.3Very high100 Ų10037.1 Ų37.144%0.43521%0.206SC..Hα-helixtrans-60.8-48.9176.5177-177.9172.3-69.30110.9D283 A284 T285 K290 E291D283-K287 WeakPolarHBondContact O-CB 3.5Å; D283-K287 PolarHBondContact O-N 3.47Å; A284-K287 WeakPolarHBondContact O-CB 3.28Å; A284-K287 PolarHBondContact O-N 2.99Å; T285-K287 VanDerWaalsContact C-N 3.29Å; T285-K287 PolarHBondContact O-N 2.98Å; K287-K290 WeakPolarHBondContact O-CB 3.42Å; K287-K290 PolarHBondContact O-N 3.28Å; K287-E291 WeakPolarHBondContact CE-OE1 3.25Å; K287-E291 VanDerWaalsContact NZ-CD 3.34Å; K287-E291 IonicContact NZ-OE1 3.76Å; K287-E291 PolarHBondContact NZ-OE1 2.92Å; K287-E291 IonicContact NZ-OE2 3.5Å; K287-E291 PolarHBondContact NZ-OE2 2.79Å; K287-E291 PolarHBondContact O-N 3.33Å; K287-E291 VanDerWaalsContact O-N 3.15Å
288E98.7Very high98.4Very high5 Ų536.1 Ų36.12%0.02320%0.195CC..Hα-helixtrans-70.8-32.4-177.2-63.6-57.2137.900112.6V255 K271 V273 A284 T285 K290 E291 A292 V298V255-E288 HydrophobicContact CG1-CB 4.05Å; V255-E288 HydrophobicContact CG1-CG 3.81Å; K271-E288 VanDerWaalsContact CE-OE2 3.27Å; K271-E288 WeakPolarHBondContact CE-OE2 3.34Å; K271-E288 IonicContact NZ-OE1 2.71Å; K271-E288 PolarHBondContact NZ-OE1 3.1Å; K271-E288 IonicContact NZ-OE2 3.29Å; K271-E288 PolarHBondContact NZ-OE2 3.27Å; V273-E288 HydrophobicContact CG2-CG 4.02Å; A284-E288 VanDerWaalsContact O-CG 3.28Å; A284-E288 WeakPolarHBondContact O-CG 2.99Å; A284-E288 PolarHBondContact O-N 3.18Å; T285-E288 PolarHBondContact O-N 3.38Å; T285-E288 VanDerWaalsContact O-N 3.15Å; E288-K290 VanDerWaalsContact C-N 3.29Å; E288-K290 PolarHBondContact O-N 3.4Å; E288-E291 PolarHBondContact O-N 2.87Å; E288-A292 WeakPolarHBondContact O-CB 3.44Å; E288-A292 PolarHBondContact O-N 3.32Å; E288-V298 HydrophobicContact CB-CG1 3.97Å; E288-V298 HydrophobicContact CB-CG2 4.27Å
289M98.5Very high98.5Very high1 Ų135.5 Ų35.51%0.00519%0.192CC..Hα-helixtrans-62.1-34.7170.9-72.6178.672.600113R3 F5 T285 L332 L335 L336R3-M289 PolarHBondContact NH1-O 3.05Å; F5-M289 HydrophobicContact CB-CE 4.43Å; F5-M289 HydrophobicContact CD1-CB 4.5Å; F5-M289 HydrophobicContact CD1-CE 4.22Å; F5-M289 HydrophobicContact CD1-CG 3.59Å; F5-M289 HydrophobicContact CD1-SD 4.41Å; F5-M289 HydrophobicContact CD2-CE 3.61Å; F5-M289 HydrophobicContact CE1-CB 4.04Å; F5-M289 HydrophobicContact CE1-CE 4.36Å; F5-M289 HydrophobicContact CE1-CG 3.62Å; F5-M289 HydrophobicContact CE2-CE 3.76Å; F5-M289 HydrophobicContact CG-CE 3.81Å; F5-M289 HydrophobicContact CG-CG 4.11Å; F5-M289 HydrophobicContact CG-SD 4.36Å; F5-M289 HydrophobicContact CZ-CB 4.3Å; F5-M289 HydrophobicContact CZ-CE 4.12Å; F5-M289 HydrophobicContact CZ-CG 4.16Å; T285-M289 HydrophobicContact CG2-CG 4.24Å; T285-M289 HydrophobicContact CG2-SD 3.99Å; T285-M289 WeakPolarHBondContact O-CB 3.21Å; T285-M289 VanDerWaalsContact O-CG 3.27Å; T285-M289 WeakPolarHBondContact O-CG 3.27Å; T285-M289 PolarHBondContact O-N 2.96Å; M289-L332 HydrophobicContact CE-CB 4.43Å; M289-L332 HydrophobicContact CE-CD2 4.41Å; M289-L332 WeakPolarHBondContact CE-O 3.49Å; M289-L332 HydrophobicContact SD-CB 4.43Å; M289-L332 HydrophobicContact SD-CD2 3.36Å; M289-L332 WeakPolarHBondContact SD-CD2 3.39Å; M289-L332 HydrophobicContact SD-CG 4.48Å; M289-L335 HydrophobicContact CB-CD1 4.07Å; M289-L335 HydrophobicContact CE-CB 3.92Å; M289-L335 HydrophobicContact CE-CD1 4.33Å; M289-L335 HydrophobicContact SD-CD1 4.3Å; M289-L336 HydrophobicContact CE-CD2 4.05Å
290K98.3Very high98.5Very high127 Ų12731.9 Ų31.955%0.55217%0.172SC*.Hα-helixtrans-72.7-35.5176.1-71.3168.3-179.6171.70111.8I286 K287 E288 L335I286-K290 HydrophobicContact CG2-CD 4.32Å; I286-K290 WeakPolarHBondContact O-CG 3.41Å; I286-K290 PolarHBondContact O-N 3.49Å; K287-K290 WeakPolarHBondContact O-CB 3.42Å; K287-K290 PolarHBondContact O-N 3.28Å; E288-K290 VanDerWaalsContact C-N 3.29Å; E288-K290 PolarHBondContact O-N 3.4Å; K290-L335 HydrophobicContact CG-CD1 4.28Å; K290-L335 HydrophobicContact CG-CD2 3.99Å
291E98.1Very high98.5Very high106 Ų10629.9 Ų29.950%0.49516%0.156SC..Hα-helixtrans-80.3-21.6178-69.3176.7-167.300113K271 K287 E288 G293K271-E291 IonicContact NZ-OE2 2.98Å; K271-E291 PolarHBondContact NZ-OE2 2.95Å; K287-E291 WeakPolarHBondContact CE-OE1 3.25Å; K287-E291 VanDerWaalsContact NZ-CD 3.34Å; K287-E291 IonicContact NZ-OE1 3.76Å; K287-E291 PolarHBondContact NZ-OE1 2.92Å; K287-E291 IonicContact NZ-OE2 3.5Å; K287-E291 PolarHBondContact NZ-OE2 2.79Å; K287-E291 PolarHBondContact O-N 3.33Å; K287-E291 VanDerWaalsContact O-N 3.15Å; E288-E291 PolarHBondContact O-N 2.87Å; E291-G293 PolarHBondContact O-N 3.11Å
292A98.2Very high98.5Very high7 Ų729.8 Ų29.86%0.05816%0.156CC..  trans-60.7123.2-175.500000113.5R3 F5 E288 T296 V298R3-A292 WeakPolarHBondContact CD-O 3.48Å; R3-A292 PolarHBondContact NH1-O 3.15Å; R3-A292 VanDerWaalsContact NH1-O 3.08Å; F5-A292 HydrophobicContact CE1-CB 4.2Å; E288-A292 WeakPolarHBondContact O-CB 3.44Å; E288-A292 PolarHBondContact O-N 3.32Å; A292-T296 HydrophobicContact CB-CG2 3.69Å; A292-V298 HydrophobicContact CB-CG2 4.26Å
293G97Very high98.4Very high32 Ų3230.5 Ų30.533%0.3316%0.16SC..  trans-88.9-160.1173.900000113.1R3 E291 T296R3-G293 VanDerWaalsContact CD-O 3.23Å; R3-G293 WeakPolarHBondContact CD-O 3.5Å; R3-G293 WeakPolarHBondContact CG-O 3.46Å; E291-G293 PolarHBondContact O-N 3.11Å; G293-T296 WeakPolarHBondContact O-CB 3.43Å; G293-T296 PolarHBondContact O-OG1 3Å
294D97.6Very high98.3Very high84 Ų8427.5 Ų27.545%0.44914%0.144SC..SBendtrans-69.4156.5174.6-154.212.2000111.7M1 K2 T296M1-D294 VanDerWaalsContact C-OD1 3.25Å; M1-D294 WeakPolarHBondContact CA-OD1 3.42Å; M1-D294 HydrophobicContact CE-CB 4.26Å; M1-D294 HydrophobicContact CG-CB 3.76Å; M1-D294 WeakPolarHBondContact CG-OD1 3.32Å; K2-D294 PolarHBondContact N-OD1 3.38Å; D294-T296 VanDerWaalsContact C-N 3.27Å; D294-T296 PolarHBondContact O-N 3.35Å; D294-T296 PolarHBondContact O-OG1 3.08Å
295N98.1Very high98.2Very high41 Ų4126.7 Ų26.722%0.21914%0.137CC..SBendtrans47.848-178.5-65.9-26.9000112.9K2 L246 G252 Q253K2-N295 WeakPolarHBondContact O-CA 3.35Å; K2-N295 PolarHBondContact O-N 3.14Å; L246-N295 HydrophobicContact CD1-CB 4.15Å; G252-N295 CarbonylContact C-O 3.47Å; G252-N295 WeakPolarHBondContact CA-O 3.37Å; Q253-N295 PolarHBondContact N-O 2.68Å
296T98.7Very high98.1Very high4 Ų427.1 Ų27.13%0.02514%0.14CC..EExtended strand (participates in β ladder)trans-117133.3-177.3-60.10000111.6K2 R3 A4 Q253 V255 A292 G293 D294 V298K2-T296 PolarHBondContact O-N 3.36Å; R3-T296 VanDerWaalsContact CA-O 3.3Å; R3-T296 WeakPolarHBondContact CA-O 3.26Å; A4-T296 PolarHBondContact N-O 3.44Å; Q253-T296 HydrophobicContact CB-CG2 4.17Å; Q253-T296 CarbonylContact O-C 3.09Å; Q253-T296 VanDerWaalsContact O-CA 3.26Å; Q253-T296 WeakPolarHBondContact O-CA 3.49Å; V255-T296 HydrophobicContact CG2-CG2 4.39Å; A292-T296 HydrophobicContact CB-CG2 3.69Å; G293-T296 WeakPolarHBondContact O-CB 3.43Å; G293-T296 PolarHBondContact O-OG1 3Å; D294-T296 VanDerWaalsContact C-N 3.27Å; D294-T296 PolarHBondContact O-N 3.35Å; D294-T296 PolarHBondContact O-OG1 3.08Å; T296-V298 HydrophobicContact CG2-CG2 4.42Å
297I98.9Very high97.8Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-104.1128.7163.2-69.2169.7000108.7A4 I6 L243 L246 Q253 V254 V255 F299 F395A4-I297 HydrophobicContact CB-CG1 4.21Å; A4-I297 CarbonylContact O-C 3.57Å; A4-I297 VanDerWaalsContact O-CA 3.26Å; A4-I297 WeakPolarHBondContact O-CA 3.32Å; I6-I297 HydrophobicContact CD1-CG2 3.89Å; I6-I297 HydrophobicContact CG1-CG2 4.39Å; L243-I297 HydrophobicContact CD2-CD1 3.74Å; L243-I297 HydrophobicContact CD2-CG2 4.19Å; L246-I297 HydrophobicContact CD2-CB 4.18Å; L246-I297 HydrophobicContact CD2-CD1 3.5Å; L246-I297 VanDerWaalsContact CD2-CD1 3.5Å; L246-I297 HydrophobicContact CD2-CG1 3.53Å; Q253-I297 PolarHBondContact O-N 3Å; V254-I297 WeakPolarHBondContact CA-O 3.5Å; V254-I297 HydrophobicContact CG2-CB 4.38Å; V255-I297 PolarHBondContact N-O 2.67Å; I297-F299 HydrophobicContact CG2-CB 4.01Å; I297-F395 HydrophobicContact CD1-CE2 3.82Å; I297-F395 HydrophobicContact CD1-CZ 4.44Å; I297-F395 HydrophobicContact CG1-CE2 3.63Å; I297-F395 HydrophobicContact CG1-CZ 3.78Å
298V98.9Very high97.6Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-105.5118.2159.5-172.50000107.2A4 F5 I6 V255 V257 E288 A292 T296A4-V298 PolarHBondContact O-N 2.9Å; F5-V298 CarbonylContact C-O 3.32Å; F5-V298 WeakPolarHBondContact CA-O 3.46Å; F5-V298 HydrophobicContact CD1-CB 3.86Å; F5-V298 HydrophobicContact CD1-CG2 3.82Å; F5-V298 HydrophobicContact CE1-CB 4.41Å; F5-V298 HydrophobicContact CE1-CG2 3.86Å; I6-V298 PolarHBondContact N-O 2.9Å; V255-V298 HydrophobicContact CB-CG1 4.42Å; V255-V298 HydrophobicContact CB-CG2 4.35Å; V255-V298 WeakPolarHBondContact O-CA 3.37Å; V257-V298 HydrophobicContact CG2-CG1 3.99Å; E288-V298 HydrophobicContact CB-CG1 3.97Å; E288-V298 HydrophobicContact CB-CG2 4.27Å; A292-V298 HydrophobicContact CB-CG2 4.26Å; T296-V298 HydrophobicContact CG2-CG2 4.42Å
299F98.9Very high97.5Very high0 Ų027.6 Ų27.60%015%0.152CC..EExtended strand (participates in β ladder)trans-118.7115.4-175.6-160.9152.6000108.3I6 V8 H102 I105 L243 V255 V257 I260 Y264 I297I6-F299 HydrophobicContact CB-CD1 4.44Å; I6-F299 HydrophobicContact CB-CD2 3.97Å; I6-F299 HydrophobicContact CB-CE2 4.23Å; I6-F299 HydrophobicContact CB-CG 4.08Å; I6-F299 HydrophobicContact CD1-CD1 3.88Å; I6-F299 HydrophobicContact CD1-CE1 4.03Å; I6-F299 HydrophobicContact CD1-CG 4.3Å; I6-F299 HydrophobicContact CG2-CD2 3.96Å; I6-F299 HydrophobicContact CG2-CE1 4.34Å; I6-F299 HydrophobicContact CG2-CE2 3.7Å; I6-F299 HydrophobicContact CG2-CG 4.41Å; I6-F299 HydrophobicContact CG2-CZ 3.89Å; V8-F299 HydrophobicContact CB-CE2 4.39Å; V8-F299 HydrophobicContact CG2-CE2 3.53Å; V8-F299 HydrophobicContact CG2-CZ 4.11Å; H102-F299 AromaticContact ND1-CE2 3.97Å; H102-F299 AromaticContact ND1-CZ 3.84Å; I105-F299 HydrophobicContact CG2-CZ 4.17Å; L243-F299 HydrophobicContact CD1-CD1 4.04Å; L243-F299 HydrophobicContact CD1-CE1 4.33Å; L243-F299 HydrophobicContact CD2-CD1 3.99Å; L243-F299 HydrophobicContact CD2-CE1 4.46Å; V255-F299 PolarHBondContact O-N 2.58Å; V257-F299 PolarHBondContact N-O 2.71Å; I260-F299 HydrophobicContact CD1-CD2 3.35Å; I260-F299 HydrophobicContact CD1-CE2 3.36Å; I260-F299 HydrophobicContact CD1-CG 4.02Å; I260-F299 HydrophobicContact CD1-CZ 4.06Å; I260-F299 HydrophobicContact CG1-CB 4.43Å; I260-F299 HydrophobicContact CG1-CD2 3.73Å; I260-F299 HydrophobicContact CG1-CE2 4.26Å; I260-F299 HydrophobicContact CG1-CG 4.15Å; I260-F299 WeakPolarHBondContact CG1-O 3.36Å; I260-F299 HydrophobicContact CG2-CB 4.15Å; I260-F299 HydrophobicContact CG2-CD1 4.36Å; I260-F299 HydrophobicContact CG2-CD2 4.47Å; I260-F299 HydrophobicContact CG2-CG 4.08Å; Y264-F299 HydrophobicContact CE2-CE1 4.05Å; Y264-F299 HydrophobicContact CE2-CZ 4.37Å; Y264-F299 VanDerWaalsContact OH-CE1 3.25Å; Y264-F299 WeakPolarHBondContact OH-CE1 3.36Å; I297-F299 HydrophobicContact CG2-CB 4.01Å
300T98.9Very high97.4Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-114.9132.1180-54.40000110.4I6 V8 V257 L281 T285 F302I6-T300 PolarHBondContact O-N 3.43Å; V8-T300 PolarHBondContact N-O 2.73Å; V257-T300 HydrophobicContact CB-CG2 3.99Å; V257-T300 WeakPolarHBondContact CB-OG1 3.5Å; V257-T300 HydrophobicContact CG1-CG2 3.96Å; L281-T300 HydrophobicContact CB-CG2 4.29Å; L281-T300 HydrophobicContact CD2-CG2 4.49Å; T285-T300 WeakPolarHBondContact OG1-CG2 3.37Å; T285-T300 PolarHBondContact OG1-OG1 2.8Å; T300-F302 HydrophobicContact CG2-CD1 4.48Å; T300-F302 HydrophobicContact CG2-CD2 3.97Å; T300-F302 HydrophobicContact CG2-CE1 4.16Å; T300-F302 HydrophobicContact CG2-CE2 3.55Å; T300-F302 HydrophobicContact CG2-CG 4.41Å; T300-F302 HydrophobicContact CG2-CZ 3.67Å
301N98.6Very high97.1Very high0 Ų024.3 Ų24.30%014%0.138CC..EExtended strand (participates in β ladder)trans-100.6117164.1-178.616.1000110D10 V257 I260 V303D10-N301 WeakPolarHBondContact CB-OD1 3.48Å; D10-N301 PolarHBondContact OD2-ND2 3.02Å; D10-N301 PolarHBondContact OD2-OD1 2.96Å; D10-N301 VanDerWaalsContact OD2-OD1 3.11Å; V257-N301 PolarHBondContact O-N 2.9Å; I260-N301 HydrophobicContact CD1-CB 3.74Å; I260-N301 HydrophobicContact CG1-CB 3.95Å; N301-V303 VanDerWaalsContact C-N 3.28Å; N301-V303 PolarHBondContact O-N 2.89Å; N301-V303 VanDerWaalsContact O-N 3.17Å
302F98.6Very high96.9Very high0 Ų028.4 Ų28.40%015%0.149CC..  trans-85.766.1173.3-67.8-83.6000111.4M7 V8 D10 L278 L281 F282 T300 D304 F305 F325M7-F302 HydrophobicContact CB-CD2 4.46Å; M7-F302 HydrophobicContact CB-CE2 3.97Å; M7-F302 HydrophobicContact CG-CE2 4.29Å; M7-F302 HydrophobicContact SD-CE2 3.7Å; M7-F302 HydrophobicContact SD-CZ 4.19Å; V8-F302 WeakPolarHBondContact O-CB 3.38Å; V8-F302 PolarHBondContact O-N 3.11Å; D10-F302 WeakPolarHBondContact CB-O 3.47Å; L278-F302 HydrophobicContact CD1-CD1 3.47Å; L278-F302 VanDerWaalsContact CD1-CD1 3.47Å; L278-F302 HydrophobicContact CD1-CE1 4.01Å; L278-F302 HydrophobicContact CD1-CG 4.35Å; L281-F302 HydrophobicContact CB-CD1 3.93Å; L281-F302 HydrophobicContact CB-CE1 3.87Å; L281-F302 HydrophobicContact CD1-CD1 4.47Å; F282-F302 HydrophobicContact CB-CE1 4.1Å; F282-F302 AromaticContact CD2-CE1 3.89Å; F282-F302 HydrophobicContact CD2-CE1 3.89Å; F282-F302 HydrophobicContact CD2-CZ 4.01Å; F282-F302 HydrophobicContact CG-CE1 4.39Å; T300-F302 HydrophobicContact CG2-CD1 4.48Å; T300-F302 HydrophobicContact CG2-CD2 3.97Å; T300-F302 HydrophobicContact CG2-CE1 4.16Å; T300-F302 HydrophobicContact CG2-CE2 3.55Å; T300-F302 HydrophobicContact CG2-CG 4.41Å; T300-F302 HydrophobicContact CG2-CZ 3.67Å; F302-D304 PolarHBondContact O-N 2.95Å; F302-F305 HydrophobicContact CB-CD2 3.74Å; F302-F305 HydrophobicContact CB-CE2 3.87Å; F302-F305 VanDerWaalsContact O-CD2 3.28Å; F302-F305 WeakPolarHBondContact O-CD2 3.08Å; F302-F305 PolarHBondContact O-N 3.07Å; F302-F325 HydrophobicContact CD1-CD2 4.32Å; F302-F325 HydrophobicContact CD1-CE2 4.31Å; F302-F325 AromaticContact CD2-CE2 3.9Å; F302-F325 HydrophobicContact CD2-CE2 3.9Å; F302-F325 HydrophobicContact CE1-CD2 4.2Å; F302-F325 AromaticContact CE1-CE2 3.99Å; F302-F325 HydrophobicContact CE1-CE2 3.99Å; F302-F325 HydrophobicContact CE2-CD2 4.48Å; F302-F325 AromaticContact CE2-CE2 3.58Å; F302-F325 HydrophobicContact CE2-CE2 3.58Å; F302-F325 HydrophobicContact CE2-CZ 4.38Å; F302-F325 HydrophobicContact CG-CD2 4.48Å; F302-F325 HydrophobicContact CG-CE2 4.25Å; F302-F325 HydrophobicContact CZ-CD2 4.29Å; F302-F325 AromaticContact CZ-CE2 3.62Å; F302-F325 HydrophobicContact CZ-CE2 3.62Å
303V96.7Very high96.8Very high15 Ų1530.3 Ų30.39%0.09116%0.155CC..THydrogen-bonded Turntrans-61.4-16.1-169.470.20000116.7D10 K259 L281 N301 F305 D306 S307D10-V303 WeakPolarHBondContact OD2-CA 3.33Å; D10-V303 WeakPolarHBondContact OD2-CG2 3.34Å; K259-V303 HydrophobicContact CD-CB 4.48Å; K259-V303 HydrophobicContact CD-CG2 3.86Å; L281-V303 HydrophobicContact CD1-CG1 4.44Å; N301-V303 VanDerWaalsContact C-N 3.28Å; N301-V303 PolarHBondContact O-N 2.89Å; N301-V303 VanDerWaalsContact O-N 3.17Å; V303-F305 PolarHBondContact O-N 3.47Å; V303-D306 PolarHBondContact O-N 3.18Å; V303-S307 WeakPolarHBondContact O-CB 3.44Å; V303-S307 PolarHBondContact O-N 3.48Å; V303-S307 PolarHBondContact O-OG 3.16Å
304D96.3Very high96.9Very high23 Ų2331.7 Ų31.712%0.12315%0.154CC..Hα-helixtrans-63.5-31.4178.4-69.3-99000112G277 L278 F302 D306 S308 W309G277-D304 WeakPolarHBondContact CA-OD2 3.23Å; G277-D304 PolarHBondContact N-OD2 3.4Å; L278-D304 PolarHBondContact N-OD2 3.39Å; F302-D304 PolarHBondContact O-N 2.95Å; D304-D306 PolarHBondContact O-N 3.22Å; D304-S308 WeakPolarHBondContact O-CA 3.42Å; D304-S308 VanDerWaalsContact O-CB 3.22Å; D304-S308 WeakPolarHBondContact O-CB 3.47Å; D304-S308 PolarHBondContact O-N 2.96Å; D304-S308 PolarHBondContact OD1-OG 3.41Å; D304-W309 HydrophobicContact CB-CH2 3.93Å; D304-W309 HydrophobicContact CB-CZ2 4.44Å; D304-W309 HydrophobicContact CB-CZ3 3.99Å; D304-W309 PolarHBondContact O-N 3.43Å
305F98.2Very high96.9Very high0 Ų028.9 Ų28.90%014%0.14CC..Iπ-helixtrans-56.2-39.2176.3-72.3-61.6000112.3L9 D10 L278 F302 V303 W309 G310 Y318 L322 F325L9-F305 HydrophobicContact CB-CD2 4Å; L9-F305 HydrophobicContact CB-CE2 4.22Å; L9-F305 HydrophobicContact CD2-CE2 4.21Å; L9-F305 HydrophobicContact CD2-CZ 4.47Å; L9-F305 HydrophobicContact CG-CD2 4.17Å; L9-F305 HydrophobicContact CG-CE2 3.87Å; D10-F305 HydrophobicContact CB-CB 4.45Å; D10-F305 WeakPolarHBondContact O-CB 3.33Å; L278-F305 HydrophobicContact CD1-CE2 4.14Å; L278-F305 HydrophobicContact CD1-CZ 4.36Å; L278-F305 HydrophobicContact CD2-CZ 4.31Å; F302-F305 HydrophobicContact CB-CD2 3.74Å; F302-F305 HydrophobicContact CB-CE2 3.87Å; F302-F305 VanDerWaalsContact O-CD2 3.28Å; F302-F305 WeakPolarHBondContact O-CD2 3.08Å; F302-F305 PolarHBondContact O-N 3.07Å; V303-F305 PolarHBondContact O-N 3.47Å; F305-W309 AromaticContact CD1-CE3 3.56Å; F305-W309 HydrophobicContact CD1-CE3 3.56Å; F305-W309 AromaticContact CD1-CZ3 3.48Å; F305-W309 HydrophobicContact CD1-CZ3 3.48Å; F305-W309 VanDerWaalsContact CD1-CZ3 3.48Å; F305-W309 HydrophobicContact CE1-CE3 4.03Å; F305-W309 AromaticContact CE1-CZ3 3.57Å; F305-W309 HydrophobicContact CE1-CZ3 3.57Å; F305-W309 HydrophobicContact CG-CE3 4.25Å; F305-W309 HydrophobicContact CG-CZ3 4.1Å; F305-W309 HydrophobicContact CZ-CZ3 4.27Å; F305-G310 PolarHBondContact O-N 2.85Å; F305-Y318 HydrophobicContact CB-CE1 3.88Å; F305-Y318 AromaticContact CD1-CD1 3.6Å; F305-Y318 HydrophobicContact CD1-CD1 3.6Å; F305-Y318 AromaticContact CD1-CE1 3.3Å; F305-Y318 HydrophobicContact CD1-CE1 3.3Å; F305-Y318 HydrophobicContact CE1-CD1 4.23Å; F305-Y318 HydrophobicContact CE1-CE1 4.16Å; F305-Y318 AromaticContact CG-CE1 3.94Å; F305-Y318 HydrophobicContact CG-CE1 3.94Å; F305-Y318 WeakPolarHBondContact O-CE2 3.48Å; F305-L322 HydrophobicContact CD1-CD2 4.14Å; F305-L322 HydrophobicContact CD1-CG 4.33Å; F305-L322 HydrophobicContact CE1-CB 4.37Å; F305-L322 HydrophobicContact CE1-CD2 3.57Å; F305-L322 HydrophobicContact CE1-CG 3.71Å; F305-L322 HydrophobicContact CZ-CD2 3.94Å; F305-L322 HydrophobicContact CZ-CG 4.43Å; F305-F325 HydrophobicContact CE2-CD2 4.5Å; F305-F325 HydrophobicContact CZ-CB 4.06Å
306D96.1Very high96.9Very high8 Ų827.3 Ų27.34%0.04313%0.133CC..Iπ-helixtrans-88.4-62175.9-174.948.9000113.2D10 S11 V303 D304 S308 G310 H311 H348 H359D10-D306 HydrophobicContact CB-CB 3.85Å; D10-D306 VanDerWaalsContact OD1-CB 3.27Å; D10-D306 WeakPolarHBondContact OD1-CB 3.26Å; S11-D306 WeakPolarHBondContact CB-OD1 3.45Å; S11-D306 VanDerWaalsContact OG-CA 3.22Å; S11-D306 WeakPolarHBondContact OG-CA 3.5Å; S11-D306 VanDerWaalsContact OG-CB 3.3Å; S11-D306 WeakPolarHBondContact OG-CB 3.35Å; S11-D306 PolarHBondContact OG-OD1 3.29Å; V303-D306 PolarHBondContact O-N 3.18Å; D304-D306 PolarHBondContact O-N 3.22Å; D306-S308 PolarHBondContact O-N 3.09Å; D306-G310 PolarHBondContact O-N 2.86Å; D306-G310 VanDerWaalsContact O-N 3.12Å; D306-H311 PolarHBondContact O-N 2.9Å; D306-H311 IonicContact OD1-CD2 3.64Å; D306-H311 PolarHBondContact OD1-CD2 2.61Å; D306-H311 IonicContact OD1-NE2 3.63Å; D306-H311 IonicContact OD2-CD2 2.96Å; D306-H311 PolarHBondContact OD2-CD2 2.83Å; D306-H311 IonicContact OD2-NE2 3.74Å; D306-H311 PolarHBondContact OD2-NE2 2.99Å; D306-H348 IonicContact OD1-CE1 3.39Å; D306-H359 IonicContact OD1-CD2 3.54Å; D306-H359 IonicContact OD1-NE2 2.92Å; D306-H359 IonicContact OD2-NE2 3.61Å
307S92.8Very high96.9Very high45 Ų4527.8 Ų27.832%0.31514%0.138SC..Iπ-helixtrans-69.3-30.4-168.862.40000114.6V303V303-S307 WeakPolarHBondContact O-CB 3.44Å; V303-S307 PolarHBondContact O-N 3.48Å; V303-S307 PolarHBondContact O-OG 3.16Å
308S93.6Very high96.9Very high46 Ų4627.8 Ų27.832%0.32214%0.138SC..Iπ-helixtrans-96.8-32.2-178.6-60.70000112.2D304 D306 R312D304-S308 WeakPolarHBondContact O-CA 3.42Å; D304-S308 VanDerWaalsContact O-CB 3.22Å; D304-S308 WeakPolarHBondContact O-CB 3.47Å; D304-S308 PolarHBondContact O-N 2.96Å; D304-S308 PolarHBondContact OD1-OG 3.41Å; D306-S308 PolarHBondContact O-N 3.09Å; S308-R312 WeakPolarHBondContact O-CB 3.45Å; S308-R312 WeakPolarHBondContact O-CG 3.22Å
309W97.1Very high96.9Very high41 Ų4127.8 Ų27.816%0.15514%0.138CC..Iπ-helixtrans-121.9-47-171.1-53.7-45.9000114.7L278 D304 F305 R312 R313 D314 Y318L278-W309 HydrophobicContact CD2-CH2 3.92Å; L278-W309 HydrophobicContact CD2-CZ3 4.36Å; D304-W309 HydrophobicContact CB-CH2 3.93Å; D304-W309 HydrophobicContact CB-CZ2 4.44Å; D304-W309 HydrophobicContact CB-CZ3 3.99Å; D304-W309 PolarHBondContact O-N 3.43Å; F305-W309 AromaticContact CD1-CE3 3.56Å; F305-W309 HydrophobicContact CD1-CE3 3.56Å; F305-W309 AromaticContact CD1-CZ3 3.48Å; F305-W309 HydrophobicContact CD1-CZ3 3.48Å; F305-W309 VanDerWaalsContact CD1-CZ3 3.48Å; F305-W309 HydrophobicContact CE1-CE3 4.03Å; F305-W309 AromaticContact CE1-CZ3 3.57Å; F305-W309 HydrophobicContact CE1-CZ3 3.57Å; F305-W309 HydrophobicContact CG-CE3 4.25Å; F305-W309 HydrophobicContact CG-CZ3 4.1Å; F305-W309 HydrophobicContact CZ-CZ3 4.27Å; W309-R312 PolarHBondContact O-N 3.12Å; W309-R313 PolarHBondContact O-N 2.96Å; W309-D314 PolarHBondContact O-N 3.05Å; W309-Y318 HydrophobicContact CB-CD2 3.77Å; W309-Y318 HydrophobicContact CB-CG 3.89Å
310G95.7Very high96.9Very high0 Ų029.4 Ų29.40%015%0.152CC..Iπ-helixtrans-58.8-66.9177.600000112.4F305 D306 R312 R313F305-G310 PolarHBondContact O-N 2.85Å; D306-G310 PolarHBondContact O-N 2.86Å; D306-G310 VanDerWaalsContact O-N 3.12Å; G310-R312 PolarHBondContact O-N 3.25Å; G310-R312 VanDerWaalsContact O-N 3.12Å; G310-R313 PolarHBondContact O-N 3.33Å
311H92.1Very high96.9Very high59 Ų5929.6 Ų29.627%0.27315%0.154SC..THydrogen-bonded Turntrans-60.5-25.6179.2-77.9-60.9000113.9D306 R313 T357 H359D306-H311 PolarHBondContact O-N 2.9Å; D306-H311 IonicContact OD1-CD2 3.64Å; D306-H311 PolarHBondContact OD1-CD2 2.61Å; D306-H311 IonicContact OD1-NE2 3.63Å; D306-H311 IonicContact OD2-CD2 2.96Å; D306-H311 PolarHBondContact OD2-CD2 2.83Å; D306-H311 IonicContact OD2-NE2 3.74Å; D306-H311 PolarHBondContact OD2-NE2 2.99Å; H311-R313 VanDerWaalsContact C-N 3.31Å; H311-T357 PolarHBondContact ND1-O 2.84Å; H311-T357 WeakPolarHBondContact O-CB 3.41Å; H311-H359 AromaticContact CE1-CD2 3.3Å; H311-H359 PolarHBondContact CE1-CD2 3.09Å; H311-H359 AromaticContact CE1-NE2 3.25Å; H311-H359 PolarHBondContact CE1-NE2 3.13Å; H311-H359 AromaticContact NE2-CD2 3.69Å; H311-H359 AromaticContact NE2-NE2 3.2Å; H311-H359 PolarHBondContact NE2-NE2 3.11Å
312R95Very high96.9Very high191 Ų19129.6 Ų29.672%0.72115%0.154SC*.THydrogen-bonded Turntrans-85.2-5.8178-60.2-59-177.2178.9-2113.1S308 W309 G310 D314S308-R312 WeakPolarHBondContact O-CB 3.45Å; S308-R312 WeakPolarHBondContact O-CG 3.22Å; W309-R312 PolarHBondContact O-N 3.12Å; G310-R312 PolarHBondContact O-N 3.25Å; G310-R312 VanDerWaalsContact O-N 3.12Å; R312-D314 HydrophobicContact CB-CB 4.39Å; R312-D314 PolarHBondContact O-N 2.75Å
313R96.1Very high96.9Very high48 Ų4830.7 Ų30.718%0.18116%0.159CC..THydrogen-bonded Turntrans53.238.3-174.7-57.1-58.9-171.1-145.50.9111.4W309 G310 H311 V315 C350 D351 P352 W354 T355 G356 D358W309-R313 PolarHBondContact O-N 2.96Å; G310-R313 PolarHBondContact O-N 3.33Å; H311-R313 VanDerWaalsContact C-N 3.31Å; R313-V315 PolarHBondContact O-N 2.83Å; R313-C350 PolarHBondContact NH1-SG 3.49Å; R313-C350 VanDerWaalsContact NH1-SG 3.41Å; R313-D351 PolarHBondContact NH1-O 2.92Å; R313-P352 WeakPolarHBondContact CA-O 3.4Å; R313-P352 VanDerWaalsContact CB-O 3.26Å; R313-P352 WeakPolarHBondContact CB-O 3.22Å; R313-P352 WeakPolarHBondContact CD-O 3.21Å; R313-W354 PolarHBondContact NE-O 3.13Å; R313-T355 PolarHBondContact NH2-O 3.36Å; R313-T355 VanDerWaalsContact NH2-O 3.11Å; R313-G356 PolarHBondContact NE-O 2.93Å; R313-G356 PolarHBondContact NH2-O 3.17Å; R313-D358 PolarHBondContact NH2-O 2.79Å
314D97.7Very high97Very high61 Ų6132.6 Ų32.633%0.32617%0.168SC..  trans-95.981.6179.9-178.17.5000110.1W309 R312 A316 G317 Y318W309-D314 PolarHBondContact O-N 3.05Å; R312-D314 HydrophobicContact CB-CB 4.39Å; R312-D314 PolarHBondContact O-N 2.75Å; D314-A316 VanDerWaalsContact C-N 3.28Å; D314-A316 PolarHBondContact O-N 2.85Å; D314-A316 PolarHBondContact OD1-N 2.82Å; D314-G317 PolarHBondContact O-N 2.91Å; D314-G317 PolarHBondContact OD1-N 2.84Å; D314-Y318 WeakPolarHBondContact O-CB 3.36Å; D314-Y318 PolarHBondContact O-N 2.95Å
315V98.4Very high97.1Very high24 Ų2431.5 Ų31.515%0.14516%0.162CC..Hα-helixtrans-56.7-41.5-179.5-173.90000111.9I34 A37 A43 R313 A319 P352 T353I34-V315 HydrophobicContact CG1-CG1 4.35Å; A37-V315 HydrophobicContact CB-CG1 3.71Å; A43-V315 HydrophobicContact CB-CG1 4.08Å; R313-V315 PolarHBondContact O-N 2.83Å; V315-A319 WeakPolarHBondContact O-CB 3.4Å; V315-A319 PolarHBondContact O-N 2.75Å; V315-P352 HydrophobicContact CB-CG 4.43Å; V315-P352 HydrophobicContact CG2-CB 3.88Å; V315-P352 HydrophobicContact CG2-CG 3.99Å; V315-T353 HydrophobicContact CG2-CG2 3.85Å
316A98.6Very high97.1Very high9 Ų931.7 Ų31.77%0.07416%0.163CC..Hα-helixtrans-71.1-42.1-177.400000111.8A43 N45 R47 D314 A320A43-A316 HydrophobicContact CB-CB 4.25Å; A43-A316 WeakPolarHBondContact O-CB 3.46Å; N45-A316 HydrophobicContact CB-CB 3.97Å; R47-A316 WeakPolarHBondContact CD-O 3.44Å; D314-A316 VanDerWaalsContact C-N 3.28Å; D314-A316 PolarHBondContact O-N 2.85Å; D314-A316 PolarHBondContact OD1-N 2.82Å; A316-A320 VanDerWaalsContact O-CB 3.32Å; A316-A320 WeakPolarHBondContact O-CB 3.26Å; A316-A320 PolarHBondContact O-N 2.84Å
317G98.5Very high97.2Very high13 Ų1339 Ų3913%0.13419%0.19CC..Hα-helixtrans-60.8-46172.500000112.2D314 A320 G321D314-G317 PolarHBondContact O-N 2.91Å; D314-G317 PolarHBondContact OD1-N 2.84Å; G317-A320 PolarHBondContact O-N 2.96Å; G317-G321 PolarHBondContact O-N 3.29Å
318Y98.6Very high97.5Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-59-51.8177.5-147.1-47.2000110.9D10 S11 F12 T30 I34 F305 W309 D314 A320 G321 L322 P352D10-Y318 PolarHBondContact O-OH 3.42Å; D10-Y318 VanDerWaalsContact O-OH 3.14Å; S11-Y318 PolarHBondContact O-OH 2.96Å; S11-Y318 PolarHBondContact OG-OH 3.37Å; F12-Y318 WeakPolarHBondContact CA-OH 3.31Å; F12-Y318 HydrophobicContact CD2-CE1 4.06Å; F12-Y318 PolarHBondContact N-OH 3.01Å; T30-Y318 HydrophobicContact CG2-CE2 4.2Å; I34-Y318 HydrophobicContact CD1-CD1 3.71Å; I34-Y318 HydrophobicContact CD1-CD2 3.96Å; I34-Y318 HydrophobicContact CD1-CE1 4.19Å; I34-Y318 HydrophobicContact CD1-CE2 4.37Å; I34-Y318 HydrophobicContact CD1-CG 3.61Å; F305-Y318 HydrophobicContact CB-CE1 3.88Å; F305-Y318 AromaticContact CD1-CD1 3.6Å; F305-Y318 HydrophobicContact CD1-CD1 3.6Å; F305-Y318 AromaticContact CD1-CE1 3.3Å; F305-Y318 HydrophobicContact CD1-CE1 3.3Å; F305-Y318 HydrophobicContact CE1-CD1 4.23Å; F305-Y318 HydrophobicContact CE1-CE1 4.16Å; F305-Y318 AromaticContact CG-CE1 3.94Å; F305-Y318 HydrophobicContact CG-CE1 3.94Å; F305-Y318 WeakPolarHBondContact O-CE2 3.48Å; W309-Y318 HydrophobicContact CB-CD2 3.77Å; W309-Y318 HydrophobicContact CB-CG 3.89Å; D314-Y318 WeakPolarHBondContact O-CB 3.36Å; D314-Y318 PolarHBondContact O-N 2.95Å; Y318-A320 VanDerWaalsContact C-N 3.35Å; Y318-A320 PolarHBondContact O-N 3.13Å; Y318-G321 PolarHBondContact O-N 3.22Å; Y318-L322 HydrophobicContact CD1-CD1 3.82Å; Y318-L322 HydrophobicContact CD1-CG 3.92Å; Y318-L322 HydrophobicContact CE1-CD1 4.11Å; Y318-L322 HydrophobicContact CE1-CD2 4.27Å; Y318-L322 HydrophobicContact CE1-CG 4.16Å; Y318-L322 WeakPolarHBondContact O-CG 3.38Å; Y318-L322 PolarHBondContact O-N 2.85Å; Y318-P352 HydrophobicContact CD2-CB 4.45Å; Y318-P352 HydrophobicContact CD2-CG 4.1Å
319A98.7Very high97.8Very high0 Ų036 Ų360%017%0.165CC..Hα-helixtrans-58.5-44.4178.100000112.3I34 C38 R47 L51 V315 G321 L322 E323I34-A319 HydrophobicContact CG2-CB 3.78Å; C38-A319 VanDerWaalsContact SG-CB 3.55Å; R47-A319 VanDerWaalsContact CD-CB 3.45Å; L51-A319 HydrophobicContact CD1-CB 3.91Å; V315-A319 WeakPolarHBondContact O-CB 3.4Å; V315-A319 PolarHBondContact O-N 2.75Å; A319-G321 VanDerWaalsContact C-N 3.33Å; A319-G321 PolarHBondContact O-N 3.27Å; A319-L322 PolarHBondContact O-N 3.33Å; A319-E323 VanDerWaalsContact O-CG 3.31Å; A319-E323 WeakPolarHBondContact O-CG 3.31Å; A319-E323 PolarHBondContact O-N 3.45Å
320A98.6Very high97.8Very high35 Ų3536.8 Ų36.829%0.28918%0.175SC..Hα-helixtrans-65.3-37.8178.200000111.8R47 A316 G317 Y318 E323 L324R47-A320 HydrophobicContact CB-CB 4.28Å; R47-A320 HydrophobicContact CG-CB 4.35Å; A316-A320 VanDerWaalsContact O-CB 3.32Å; A316-A320 WeakPolarHBondContact O-CB 3.26Å; A316-A320 PolarHBondContact O-N 2.84Å; G317-A320 PolarHBondContact O-N 2.96Å; Y318-A320 VanDerWaalsContact C-N 3.35Å; Y318-A320 PolarHBondContact O-N 3.13Å; A320-E323 PolarHBondContact O-N 2.97Å; A320-L324 WeakPolarHBondContact O-CB 3.47Å; A320-L324 PolarHBondContact O-N 3.48Å
321G98.5Very high98Very high3 Ų340.6 Ų40.63%0.03119%0.193CC..Hα-helixtrans-61.7-44.5172.900000112.5L278 G317 Y318 A319 L324 F325L278-G321 WeakPolarHBondContact CD2-O 3.28Å; G317-G321 PolarHBondContact O-N 3.29Å; Y318-G321 PolarHBondContact O-N 3.22Å; A319-G321 VanDerWaalsContact C-N 3.33Å; A319-G321 PolarHBondContact O-N 3.27Å; G321-L324 PolarHBondContact O-N 3.34Å; G321-F325 WeakPolarHBondContact O-CB 3.22Å; G321-F325 PolarHBondContact O-N 2.83Å
322L98.8Very high98.3Very high0 Ų037.8 Ų37.80%018%0.18CC..Hα-helixtrans-64.4-43.2177.7-70.6169.6000110.6L9 F12 I34 L53 F305 Y318 A319 L324 F325 D326L9-L322 HydrophobicContact CD2-CD2 4.01Å; F12-L322 HydrophobicContact CD1-CD2 4.29Å; F12-L322 HydrophobicContact CD2-CD1 4.11Å; F12-L322 HydrophobicContact CD2-CD2 3.94Å; F12-L322 HydrophobicContact CE1-CD2 4.07Å; F12-L322 HydrophobicContact CE2-CD1 3.47Å; F12-L322 VanDerWaalsContact CE2-CD1 3.47Å; F12-L322 HydrophobicContact CE2-CD2 3.72Å; F12-L322 HydrophobicContact CE2-CG 4.26Å; F12-L322 HydrophobicContact CG-CD2 4.22Å; F12-L322 HydrophobicContact CZ-CD1 3.99Å; F12-L322 HydrophobicContact CZ-CD2 3.76Å; I34-L322 HydrophobicContact CD1-CD1 4.39Å; L53-L322 HydrophobicContact CD1-CB 4.34Å; L53-L322 VanDerWaalsContact CD2-C 3.46Å; L53-L322 HydrophobicContact CD2-CB 3.73Å; L53-L322 WeakPolarHBondContact CD2-O 3.43Å; F305-L322 HydrophobicContact CD1-CD2 4.14Å; F305-L322 HydrophobicContact CD1-CG 4.33Å; F305-L322 HydrophobicContact CE1-CB 4.37Å; F305-L322 HydrophobicContact CE1-CD2 3.57Å; F305-L322 HydrophobicContact CE1-CG 3.71Å; F305-L322 HydrophobicContact CZ-CD2 3.94Å; F305-L322 HydrophobicContact CZ-CG 4.43Å; Y318-L322 HydrophobicContact CD1-CD1 3.82Å; Y318-L322 HydrophobicContact CD1-CG 3.92Å; Y318-L322 HydrophobicContact CE1-CD1 4.11Å; Y318-L322 HydrophobicContact CE1-CD2 4.27Å; Y318-L322 HydrophobicContact CE1-CG 4.16Å; Y318-L322 WeakPolarHBondContact O-CG 3.38Å; Y318-L322 PolarHBondContact O-N 2.85Å; A319-L322 PolarHBondContact O-N 3.33Å; L322-L324 VanDerWaalsContact C-N 3.32Å; L322-L324 PolarHBondContact O-N 3.46Å; L322-F325 PolarHBondContact O-N 3.26Å; L322-D326 VanDerWaalsContact O-CB 3.31Å; L322-D326 WeakPolarHBondContact O-CB 3.46Å; L322-D326 PolarHBondContact O-N 2.91Å
323E98.7Very high98.4Very high23 Ų2330.1 Ų30.111%0.10715%0.153CC..Hα-helixtrans-65.7-33.2176.4-71.7173.8169.500112.7R47 L51 N52 L53 A319 A320 R327R47-E323 IonicContact CZ-OE1 2.76Å; R47-E323 IonicContact NE-OE1 3.71Å; R47-E323 PolarHBondContact NE-OE1 3.26Å; R47-E323 IonicContact NE-OE2 3.77Å; R47-E323 PolarHBondContact NE-OE2 3.43Å; R47-E323 IonicContact NH2-OE1 2.94Å; R47-E323 PolarHBondContact NH2-OE1 3.29Å; R47-E323 IonicContact NH2-OE2 3.79Å; L51-E323 HydrophobicContact CD1-CG 4.23Å; N52-E323 PolarHBondContact N-OE1 2.89Å; L53-E323 HydrophobicContact CD2-CG 4.25Å; A319-E323 VanDerWaalsContact O-CG 3.31Å; A319-E323 WeakPolarHBondContact O-CG 3.31Å; A319-E323 PolarHBondContact O-N 3.45Å; A320-E323 PolarHBondContact O-N 2.97Å; E323-R327 WeakPolarHBondContact O-CB 3.49Å; E323-R327 PolarHBondContact O-N 3.5Å
324L98.6Very high98.5Very high55 Ų5532.3 Ų32.329%0.28818%0.175SC..Hα-helixtrans-68.1-49.5172.6178.658.6000110.7L278 A320 G321 L322 D326 R327 R328L278-L324 HydrophobicContact CD2-CB 4.2Å; L278-L324 HydrophobicContact CD2-CD2 3.91Å; L278-L324 HydrophobicContact CD2-CG 4.22Å; L278-L324 HydrophobicContact CG-CD2 4.32Å; A320-L324 WeakPolarHBondContact O-CB 3.47Å; A320-L324 PolarHBondContact O-N 3.48Å; G321-L324 PolarHBondContact O-N 3.34Å; L322-L324 VanDerWaalsContact C-N 3.32Å; L322-L324 PolarHBondContact O-N 3.46Å; L324-D326 PolarHBondContact O-N 3.28Å; L324-R327 PolarHBondContact O-N 3.05Å; L324-R328 WeakPolarHBondContact O-CG 3.02Å; L324-R328 PolarHBondContact O-N 3.43Å
325F98.8Very high98.5Very high1 Ų131.3 Ų31.30%0.00417%0.17CC..Hα-helixtrans-58.5-49177.9-178-83.6000111.5M7 L9 L278 F282 F302 F305 G321 L322 R327 R328 L329 L332 L344M7-F325 HydrophobicContact CB-CZ 4.39Å; L9-F325 HydrophobicContact CD1-CE1 4.03Å; L9-F325 HydrophobicContact CD1-CE2 4.13Å; L9-F325 HydrophobicContact CD1-CZ 3.74Å; L9-F325 HydrophobicContact CD2-CD1 4.12Å; L9-F325 HydrophobicContact CD2-CE1 4.19Å; L9-F325 HydrophobicContact CD2-CG 4.48Å; L9-F325 HydrophobicContact CG-CZ 4.44Å; L278-F325 HydrophobicContact CD1-CD2 4.15Å; F282-F325 AromaticContact CD2-CD2 3.86Å; F282-F325 HydrophobicContact CD2-CD2 3.86Å; F282-F325 AromaticContact CD2-CE2 3.96Å; F282-F325 HydrophobicContact CD2-CE2 3.96Å; F282-F325 AromaticContact CE2-CD2 3.72Å; F282-F325 HydrophobicContact CE2-CD2 3.72Å; F282-F325 AromaticContact CE2-CE2 3.67Å; F282-F325 HydrophobicContact CE2-CE2 3.67Å; F282-F325 HydrophobicContact CE2-CG 4.31Å; F282-F325 HydrophobicContact CE2-CZ 4.22Å; F302-F325 HydrophobicContact CD1-CD2 4.32Å; F302-F325 HydrophobicContact CD1-CE2 4.31Å; F302-F325 AromaticContact CD2-CE2 3.9Å; F302-F325 HydrophobicContact CD2-CE2 3.9Å; F302-F325 HydrophobicContact CE1-CD2 4.2Å; F302-F325 AromaticContact CE1-CE2 3.99Å; F302-F325 HydrophobicContact CE1-CE2 3.99Å; F302-F325 HydrophobicContact CE2-CD2 4.48Å; F302-F325 AromaticContact CE2-CE2 3.58Å; F302-F325 HydrophobicContact CE2-CE2 3.58Å; F302-F325 HydrophobicContact CE2-CZ 4.38Å; F302-F325 HydrophobicContact CG-CD2 4.48Å; F302-F325 HydrophobicContact CG-CE2 4.25Å; F302-F325 HydrophobicContact CZ-CD2 4.29Å; F302-F325 AromaticContact CZ-CE2 3.62Å; F302-F325 HydrophobicContact CZ-CE2 3.62Å; F305-F325 HydrophobicContact CE2-CD2 4.5Å; F305-F325 HydrophobicContact CZ-CB 4.06Å; G321-F325 WeakPolarHBondContact O-CB 3.22Å; G321-F325 PolarHBondContact O-N 2.83Å; L322-F325 PolarHBondContact O-N 3.26Å; F325-R327 VanDerWaalsContact C-N 3.31Å; F325-R327 PolarHBondContact O-N 3.2Å; F325-R328 CarbonylContact O-C 3.09Å; F325-R328 PolarHBondContact O-N 2.75Å; F325-R328 VanDerWaalsContact O-N 3.09Å; F325-L329 HydrophobicContact CE1-CD1 4.21Å; F325-L329 PolarHBondContact O-N 3.26Å; F325-L332 HydrophobicContact CZ-CD1 4.43Å; F325-L344 HydrophobicContact CE1-CD2 3.56Å; F325-L344 HydrophobicContact CZ-CD2 3.76Å
326D98.8Very high98.5Very high3 Ų331.3 Ų31.32%0.01617%0.169CC..Hα-helixtrans-59.9-40.7180-174.795.2000111.9L53 P54 N55 L56 L322 L324 R328 L329 P330L53-D326 VanDerWaalsContact C-OD1 3.28Å; L53-D326 WeakPolarHBondContact CA-OD1 3.48Å; L53-D326 HydrophobicContact CB-CB 4.5Å; L53-D326 HydrophobicContact CD2-CB 3.78Å; P54-D326 WeakPolarHBondContact CD-OD2 3.39Å; N55-D326 WeakPolarHBondContact CA-OD1 3.29Å; N55-D326 WeakPolarHBondContact CB-OD1 3.46Å; N55-D326 PolarHBondContact N-OD1 3.38Å; N55-D326 VanDerWaalsContact N-OD1 3.08Å; N55-D326 PolarHBondContact N-OD2 3.36Å; N55-D326 PolarHBondContact ND2-O 3.25Å; N55-D326 PolarHBondContact ND2-OD2 2.88Å; L56-D326 WeakPolarHBondContact CB-OD1 3.44Å; L56-D326 HydrophobicContact CD1-CB 4.32Å; L56-D326 WeakPolarHBondContact CG-OD1 3.41Å; L56-D326 PolarHBondContact N-OD1 3.28Å; L322-D326 VanDerWaalsContact O-CB 3.31Å; L322-D326 WeakPolarHBondContact O-CB 3.46Å; L322-D326 PolarHBondContact O-N 2.91Å; L324-D326 PolarHBondContact O-N 3.28Å; D326-R328 PolarHBondContact O-N 2.88Å; D326-L329 VanDerWaalsContact O-CB 3.27Å; D326-L329 WeakPolarHBondContact O-CB 3.03Å; D326-L329 PolarHBondContact O-N 3.29Å; D326-P330 WeakPolarHBondContact O-CD 3.48Å
327R98.6Very high98.5Very high161 Ų16136.2 Ų36.261%0.60819%0.186SC*.Hα-helixtrans-62.1-32.9177.4-169-171.1-40.2-77.5-11.3112.7E323 L324 F325E323-R327 WeakPolarHBondContact O-CB 3.49Å; E323-R327 PolarHBondContact O-N 3.5Å; L324-R327 PolarHBondContact O-N 3.05Å; F325-R327 VanDerWaalsContact C-N 3.31Å; F325-R327 PolarHBondContact O-N 3.2Å
328R98.6Very high98.3Very high30 Ų3041.3 Ų41.311%0.11321%0.209CC..Hα-helixtrans-88.9-16.6179.6-62.7-165.168.2-173.3-8.4113D279 F282 D283 L324 F325 D326 P330 E331D279-R328 IonicContact OD1-CZ 3.67Å; D279-R328 IonicContact OD1-NH1 3.89Å; D279-R328 PolarHBondContact OD1-NH1 3.42Å; F282-R328 HydrophobicContact CD1-CB 4.23Å; F282-R328 HydrophobicContact CD2-CB 4.3Å; F282-R328 HydrophobicContact CE1-CB 3.67Å; F282-R328 HydrophobicContact CE2-CB 3.75Å; F282-R328 VanDerWaalsContact CZ-C 3.48Å; F282-R328 HydrophobicContact CZ-CB 3.4Å; F282-R328 WeakPolarHBondContact CZ-O 3.15Å; D283-R328 IonicContact OD1-CZ 3.21Å; D283-R328 VanDerWaalsContact OD1-CZ 3.29Å; D283-R328 IonicContact OD1-NH1 3.23Å; D283-R328 PolarHBondContact OD1-NH1 2.99Å; D283-R328 IonicContact OD1-NH2 3.5Å; D283-R328 PolarHBondContact OD1-NH2 2.8Å; L324-R328 WeakPolarHBondContact O-CG 3.02Å; L324-R328 PolarHBondContact O-N 3.43Å; F325-R328 CarbonylContact O-C 3.09Å; F325-R328 PolarHBondContact O-N 2.75Å; F325-R328 VanDerWaalsContact O-N 3.09Å; D326-R328 PolarHBondContact O-N 2.88Å; R328-P330 VanDerWaalsContact C-CD 3.41Å; R328-P330 VanDerWaalsContact C-N 3.32Å; R328-E331 WeakPolarHBondContact CB-OE1 3.43Å; R328-E331 WeakPolarHBondContact CG-OE1 3.31Å; R328-E331 IonicContact CZ-OE1 3.38Å; R328-E331 IonicContact NE-OE1 2.66Å; R328-E331 PolarHBondContact NE-OE1 2.96Å; R328-E331 IonicContact NH2-OE1 2.9Å; R328-E331 IonicContact NH2-OE2 3.94Å; R328-E331 PolarHBondContact NH2-OE2 2.77Å; R328-E331 WeakPolarHBondContact O-CA 3.05Å; R328-E331 WeakPolarHBondContact O-CB 3.41Å; R328-E331 WeakPolarHBondContact O-CG 3.31Å; R328-E331 PolarHBondContact O-N 3.49Å
329L98.6Very high98.3Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-51.4-38.9-179.1-174.954.9000114.6N55 L56 L59 F325 D326 E331 L332 M333 L342 L344N55-L329 HydrophobicContact CB-CB 4.3Å; N55-L329 HydrophobicContact CB-CD2 3.88Å; N55-L329 HydrophobicContact CB-CG 4.38Å; L56-L329 HydrophobicContact CD2-CD2 3.81Å; L56-L329 HydrophobicContact CG-CD2 3.98Å; L59-L329 HydrophobicContact CD1-CD2 3.79Å; F325-L329 HydrophobicContact CE1-CD1 4.21Å; F325-L329 PolarHBondContact O-N 3.26Å; D326-L329 VanDerWaalsContact O-CB 3.27Å; D326-L329 WeakPolarHBondContact O-CB 3.03Å; D326-L329 PolarHBondContact O-N 3.29Å; L329-E331 PolarHBondContact O-N 3.46Å; L329-E331 VanDerWaalsContact O-N 3.17Å; L329-L332 HydrophobicContact CD1-CD1 4Å; L329-L332 PolarHBondContact O-N 3.25Å; L329-L332 VanDerWaalsContact O-N 3.09Å; L329-M333 HydrophobicContact CD1-CG 4.49Å; L329-M333 HydrophobicContact CG-CG 4.44Å; L329-M333 HydrophobicContact CG-SD 4.05Å; L329-M333 WeakPolarHBondContact O-CG 3.23Å; L329-M333 PolarHBondContact O-N 2.76Å; L329-M333 VanDerWaalsContact O-N 3.12Å; L329-L342 HydrophobicContact CD1-CD2 4.21Å; L329-L344 HydrophobicContact CD1-CD2 3.7Å; L329-L344 HydrophobicContact CD2-CD2 4.28Å
330P98.7Very high98.3Very high57 Ų5743.8 Ų43.837%0.3722%0.223SC..Hα-helixtrans-56.4-28.8172.9-28.237.2000114.5D326 R328 M333 S334D326-P330 WeakPolarHBondContact O-CD 3.48Å; R328-P330 VanDerWaalsContact C-CD 3.41Å; R328-P330 VanDerWaalsContact C-N 3.32Å; P330-M333 PolarHBondContact O-N 2.76Å; P330-S334 WeakPolarHBondContact O-CB 3.35Å; P330-S334 PolarHBondContact O-N 2.9Å
331E98.5Very high98.2Very high80 Ų8042.4 Ų42.437%0.37421%0.211SC..Hα-helixtrans-63-47.2175.2-59.2178.3-119.200110.7F282 I286 R328 L329 S334F282-E331 HydrophobicContact CE1-CB 4.46Å; I286-E331 HydrophobicContact CD1-CB 3.91Å; R328-E331 WeakPolarHBondContact CB-OE1 3.43Å; R328-E331 WeakPolarHBondContact CG-OE1 3.31Å; R328-E331 IonicContact CZ-OE1 3.38Å; R328-E331 IonicContact NE-OE1 2.66Å; R328-E331 PolarHBondContact NE-OE1 2.96Å; R328-E331 IonicContact NH2-OE1 2.9Å; R328-E331 IonicContact NH2-OE2 3.94Å; R328-E331 PolarHBondContact NH2-OE2 2.77Å; R328-E331 WeakPolarHBondContact O-CA 3.05Å; R328-E331 WeakPolarHBondContact O-CB 3.41Å; R328-E331 WeakPolarHBondContact O-CG 3.31Å; R328-E331 PolarHBondContact O-N 3.49Å; L329-E331 PolarHBondContact O-N 3.46Å; L329-E331 VanDerWaalsContact O-N 3.17Å; E331-S334 PolarHBondContact O-N 3.18Å; E331-S334 PolarHBondContact O-OG 2.87Å
332L98.1Very high98.3Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-62-48177-62.1171.3000110.6M7 F282 T285 I286 M289 F325 L329 S334 L335 L342M7-L332 HydrophobicContact CG-CD1 4.34Å; M7-L332 HydrophobicContact SD-CD1 4.42Å; F282-L332 HydrophobicContact CD1-CD2 4.5Å; F282-L332 HydrophobicContact CE1-CD1 4.07Å; F282-L332 HydrophobicContact CE1-CD2 3.86Å; F282-L332 HydrophobicContact CE1-CG 3.65Å; F282-L332 HydrophobicContact CE2-CD1 3.81Å; F282-L332 HydrophobicContact CE2-CG 4.31Å; F282-L332 HydrophobicContact CZ-CD1 3.39Å; F282-L332 HydrophobicContact CZ-CD2 4.07Å; F282-L332 HydrophobicContact CZ-CG 3.43Å; F282-L332 VanDerWaalsContact CZ-CG 3.43Å; T285-L332 HydrophobicContact CG2-CD2 3.9Å; I286-L332 HydrophobicContact CD1-CD2 3.56Å; I286-L332 HydrophobicContact CD1-CG 4.22Å; I286-L332 HydrophobicContact CG1-CD2 4.08Å; M289-L332 HydrophobicContact CE-CB 4.43Å; M289-L332 HydrophobicContact CE-CD2 4.41Å; M289-L332 WeakPolarHBondContact CE-O 3.49Å; M289-L332 HydrophobicContact SD-CB 4.43Å; M289-L332 HydrophobicContact SD-CD2 3.36Å; M289-L332 WeakPolarHBondContact SD-CD2 3.39Å; M289-L332 HydrophobicContact SD-CG 4.48Å; F325-L332 HydrophobicContact CZ-CD1 4.43Å; L329-L332 HydrophobicContact CD1-CD1 4Å; L329-L332 PolarHBondContact O-N 3.25Å; L329-L332 VanDerWaalsContact O-N 3.09Å; L332-S334 VanDerWaalsContact C-N 3.25Å; L332-S334 PolarHBondContact O-N 2.92Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-L335 VanDerWaalsContact O-N 3.11Å; L332-L342 HydrophobicContact CB-CD2 4.4Å
333M98.4Very high98.3Very high30 Ų3042.3 Ų42.315%0.14821%0.209CC..Hα-helixtrans-59.8-36.6-178.3-65.7170.668.600112.1L59 I83 L329 P330 L335 L336 L342 Y369L59-M333 HydrophobicContact CD2-CE 4.17Å; I83-M333 HydrophobicContact CD1-CE 3.83Å; L329-M333 HydrophobicContact CD1-CG 4.49Å; L329-M333 HydrophobicContact CG-CG 4.44Å; L329-M333 HydrophobicContact CG-SD 4.05Å; L329-M333 WeakPolarHBondContact O-CG 3.23Å; L329-M333 PolarHBondContact O-N 2.76Å; L329-M333 VanDerWaalsContact O-N 3.12Å; P330-M333 PolarHBondContact O-N 2.76Å; M333-L335 PolarHBondContact O-N 3.48Å; M333-L336 PolarHBondContact O-N 2.91Å; M333-L342 HydrophobicContact CG-CD2 4.25Å; M333-Y369 HydrophobicContact CB-CD1 4.32Å; M333-Y369 HydrophobicContact CB-CE1 3.85Å; M333-Y369 HydrophobicContact CE-CD1 3.95Å; M333-Y369 HydrophobicContact CE-CD2 4.26Å; M333-Y369 HydrophobicContact CE-CE1 3.52Å; M333-Y369 HydrophobicContact CE-CE2 3.85Å; M333-Y369 HydrophobicContact CE-CG 4.3Å; M333-Y369 VanDerWaalsContact CE-CZ 3.46Å; M333-Y369 HydrophobicContact CG-CD1 3.92Å; M333-Y369 HydrophobicContact CG-CE1 3.89Å
334S98.1Very high98.3Very high93 Ų9341.3 Ų41.365%0.6521%0.205SC*.Hα-helixtrans-68.5-16.9179.6760000114.7P330 E331 L332P330-S334 WeakPolarHBondContact O-CB 3.35Å; P330-S334 PolarHBondContact O-N 2.9Å; E331-S334 PolarHBondContact O-N 3.18Å; E331-S334 PolarHBondContact O-OG 2.87Å; L332-S334 VanDerWaalsContact C-N 3.25Å; L332-S334 PolarHBondContact O-N 2.92Å
335L98.1Very high98.3Very high41 Ų4138.8 Ų38.822%0.21519%0.191CC..THydrogen-bonded Turntrans-90.7-7.7-179.1-65.3174.9000113.7R3 I286 M289 K290 L332 M333R3-L335 PolarHBondContact NH2-O 3.46Å; R3-L335 VanDerWaalsContact NH2-O 3.13Å; I286-L335 HydrophobicContact CD1-CD1 3.54Å; I286-L335 HydrophobicContact CG2-CD1 4.13Å; M289-L335 HydrophobicContact CB-CD1 4.07Å; M289-L335 HydrophobicContact CE-CB 3.92Å; M289-L335 HydrophobicContact CE-CD1 4.33Å; M289-L335 HydrophobicContact SD-CD1 4.3Å; K290-L335 HydrophobicContact CG-CD1 4.28Å; K290-L335 HydrophobicContact CG-CD2 3.99Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-L335 VanDerWaalsContact O-N 3.11Å; M333-L335 PolarHBondContact O-N 3.48Å
336L98.3Very high98.3Very high24 Ų2438.7 Ų38.713%0.12619%0.191CC..  trans-69.7138179.6-57.5-173.2000111.2F5 M289 M333 D340 L342 Y369F5-L336 HydrophobicContact CD2-CD2 3.37Å; F5-L336 HydrophobicContact CE2-CD2 3.48Å; F5-L336 VanDerWaalsContact CE2-CD2 3.48Å; M289-L336 HydrophobicContact CE-CD2 4.05Å; M333-L336 PolarHBondContact O-N 2.91Å; L336-D340 HydrophobicContact CB-CB 4.26Å; L336-D340 HydrophobicContact CD2-CB 4.05Å; L336-L342 HydrophobicContact CD1-CB 3.99Å; L336-L342 HydrophobicContact CD2-CB 4.26Å; L336-Y369 HydrophobicContact CD1-CD1 3.48Å; L336-Y369 VanDerWaalsContact CD1-CD1 3.48Å; L336-Y369 HydrophobicContact CD1-CE1 3.77Å
337R97.3Very high98.2Very high112 Ų11238.6 Ų38.642%0.42319%0.19SC..  trans-101.4170.9171.8-61173.6-174.7166.95.2109.7M1 D339 D340 P371M1-R337 PolarHBondContact SD-NH1 3.21Å; R337-D339 PolarHBondContact O-N 2.81Å; R337-D340 WeakPolarHBondContact CB-OD2 3.15Å; R337-D340 PolarHBondContact N-OD2 2.83Å; R337-D340 WeakPolarHBondContact O-CB 3.43Å; R337-D340 PolarHBondContact O-N 2.88Å; R337-P371 WeakPolarHBondContact O-CD 3.34Å; R337-P371 WeakPolarHBondContact O-CG 3.45Å
338D95.9Very high98.2Very high119 Ų11931 Ų3164%0.63616%0.162SC*.THydrogen-bonded Turntrans-49.5-34.6-169.8-63.9-7.5000116.3K372D338-K372 WeakPolarHBondContact O-CD 3.08Å; D338-K372 WeakPolarHBondContact O-CE 3.38Å; D338-K372 VanDerWaalsContact O-CG 3.32Å; D338-K372 WeakPolarHBondContact O-CG 2.89Å
339D97Very high98.1Very high52 Ų5229.5 Ų29.528%0.27816%0.156SC..THydrogen-bonded Turntrans-102.6-6.9-177.4-70-39.8000112.9M1 R337 K372 Y394M1-D339 PolarHBondContact N-OD2 2.78Å; M1-D339 VanDerWaalsContact O-CB 3.24Å; M1-D339 WeakPolarHBondContact O-CB 3.22Å; R337-D339 PolarHBondContact O-N 2.81Å; D339-K372 IonicContact OD1-NZ 3Å; D339-K372 PolarHBondContact OD1-NZ 3.08Å; D339-Y394 VanDerWaalsContact O-CE2 3.29Å; D339-Y394 WeakPolarHBondContact O-CE2 3.22Å; D339-Y394 VanDerWaalsContact O-CZ 3.31Å; D339-Y394 PolarHBondContact O-OH 2.89Å
340D98.5Very high98Very high1 Ų129.5 Ų29.51%0.00516%0.156CC..  trans-72153.3-172.5-64.3-17.8000112.2R3 F5 L336 R337R3-D340 VanDerWaalsContact CB-OD1 3.26Å; R3-D340 WeakPolarHBondContact CB-OD1 3.44Å; R3-D340 WeakPolarHBondContact CG-OD1 3.22Å; R3-D340 IonicContact CZ-OD1 3.22Å; R3-D340 IonicContact CZ-OD2 3.72Å; R3-D340 VanDerWaalsContact CZ-OD2 3.22Å; R3-D340 IonicContact NE-OD1 3.05Å; R3-D340 PolarHBondContact NE-OD1 3.27Å; R3-D340 IonicContact NE-OD2 3.75Å; R3-D340 PolarHBondContact NE-OD2 3.15Å; R3-D340 IonicContact NH2-OD2 2.62Å; R3-D340 PolarHBondContact NH2-OD2 2.87Å; R3-D340 WeakPolarHBondContact O-CA 3.37Å; F5-D340 HydrophobicContact CE2-CB 4.05Å; L336-D340 HydrophobicContact CB-CB 4.26Å; L336-D340 HydrophobicContact CD2-CB 4.05Å; R337-D340 WeakPolarHBondContact CB-OD2 3.15Å; R337-D340 PolarHBondContact N-OD2 2.83Å; R337-D340 WeakPolarHBondContact O-CB 3.43Å; R337-D340 PolarHBondContact O-N 2.88Å
341I98.4Very high97.9Very high6 Ų626.8 Ų26.83%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-126.1137.5169.961.2177.6000110.7R3 A4 F5 I343 V373 L391 Y394R3-I341 PolarHBondContact O-N 3.49Å; A4-I341 CarbonylContact C-O 3.55Å; A4-I341 WeakPolarHBondContact CA-O 3.3Å; A4-I341 HydrophobicContact CB-CD1 4.13Å; A4-I341 HydrophobicContact CB-CG1 3.75Å; F5-I341 PolarHBondContact N-O 2.89Å; I341-I343 HydrophobicContact CD1-CD1 4.29Å; I341-V373 HydrophobicContact CG2-CG2 3.84Å; I341-L391 HydrophobicContact CD1-CD2 3.94Å; I341-Y394 HydrophobicContact CD1-CD1 3.97Å; I341-Y394 HydrophobicContact CD1-CD2 4.02Å; I341-Y394 HydrophobicContact CD1-CE1 4.16Å; I341-Y394 HydrophobicContact CD1-CE2 4.21Å; I341-Y394 HydrophobicContact CD1-CG 3.9Å; I341-Y394 HydrophobicContact CG1-CD1 4.49Å; I341-Y394 HydrophobicContact CG1-CE1 4.17Å; I341-Y394 HydrophobicContact CG1-CE2 4.3Å; I341-Y394 HydrophobicContact CG2-CD2 4.47Å; I341-Y394 HydrophobicContact CG2-CE2 4.01Å
342L98.9Very high97.9Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-107.6125.7168173.765000107.6F5 M7 L329 L332 M333 L336 L344 V368 Y369F5-L342 HydrophobicContact CB-CD1 3.9Å; F5-L342 CarbonylContact O-C 3.58Å; F5-L342 WeakPolarHBondContact O-CA 3.22Å; M7-L342 HydrophobicContact CE-CD1 4.48Å; M7-L342 HydrophobicContact CG-CD1 3.73Å; L329-L342 HydrophobicContact CD1-CD2 4.21Å; L332-L342 HydrophobicContact CB-CD2 4.4Å; M333-L342 HydrophobicContact CG-CD2 4.25Å; L336-L342 HydrophobicContact CD1-CB 3.99Å; L336-L342 HydrophobicContact CD2-CB 4.26Å; L342-L344 HydrophobicContact CD2-CD1 3.88Å; L342-L344 HydrophobicContact CG-CD1 3.78Å; L342-L344 HydrophobicContact CG-CG 4.36Å; L342-V368 CarbonylContact O-C 3.55Å; L342-V368 WeakPolarHBondContact O-CA 3.35Å; L342-Y369 PolarHBondContact N-O 2.71Å; L342-Y369 PolarHBondContact O-N 2.99Å
343I98.9Very high97.8Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-115.1122175.3-56.7179.3000107.1F5 I6 M7 I341 L367 V368 I387 L391F5-I343 PolarHBondContact O-N 2.88Å; I6-I343 WeakPolarHBondContact CA-O 3.37Å; M7-I343 PolarHBondContact N-O 3.4Å; I341-I343 HydrophobicContact CD1-CD1 4.29Å; I343-L367 CarbonylContact C-O 3.58Å; I343-L367 VanDerWaalsContact CA-O 3.31Å; I343-L367 WeakPolarHBondContact CA-O 3.34Å; I343-V368 HydrophobicContact CG1-CG1 4.33Å; I343-V368 HydrophobicContact CG1-CG2 4.33Å; I343-I387 HydrophobicContact CD1-CG2 4.03Å; I343-I387 HydrophobicContact CG2-CG2 4.42Å; I343-L391 HydrophobicContact CD1-CD1 4.48Å; I343-L391 HydrophobicContact CD1-CD2 4.04Å; I343-L391 HydrophobicContact CD1-CG 4.25Å
344L98.9Very high97.6Very high3 Ų327.7 Ų27.72%0.01615%0.145CC..EExtended strand (participates in β ladder)trans-110.1130.3169.9-54.397.7000108.9M7 L56 L59 F325 L329 L342 L367M7-L344 HydrophobicContact CB-CD2 4.47Å; M7-L344 HydrophobicContact CB-CG 4.29Å; M7-L344 WeakPolarHBondContact O-CA 3.43Å; L56-L344 HydrophobicContact CD2-CD2 4.04Å; L59-L344 HydrophobicContact CD1-CD1 3.54Å; F325-L344 HydrophobicContact CE1-CD2 3.56Å; F325-L344 HydrophobicContact CZ-CD2 3.76Å; L329-L344 HydrophobicContact CD1-CD2 3.7Å; L329-L344 HydrophobicContact CD2-CD2 4.28Å; L342-L344 HydrophobicContact CD2-CD1 3.88Å; L342-L344 HydrophobicContact CG-CD1 3.78Å; L342-L344 HydrophobicContact CG-CG 4.36Å; L344-L367 HydrophobicContact CB-CB 4.27Å; L344-L367 HydrophobicContact CD1-CB 4.34Å; L344-L367 PolarHBondContact N-O 2.88Å; L344-L367 PolarHBondContact O-N 3.13Å
345T98.8Very high97.3Very high1 Ų128.9 Ų28.91%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-156.2-175.2-175.4-159.60000111.5M7 V8 L9 I105 I364 P365 I387M7-T345 PolarHBondContact O-N 2.79Å; V8-T345 CarbonylContact C-O 3.54Å; V8-T345 WeakPolarHBondContact CA-O 3.44Å; V8-T345 HydrophobicContact CG2-CG2 3.84Å; L9-T345 PolarHBondContact N-O 2.85Å; I105-T345 HydrophobicContact CD1-CG2 4.06Å; T345-I364 WeakPolarHBondContact OG1-CD1 3.2Å; T345-P365 WeakPolarHBondContact CA-O 3.47Å; T345-P365 VanDerWaalsContact CB-O 3.26Å; T345-P365 WeakPolarHBondContact CB-O 3.46Å; T345-P365 PolarHBondContact OG1-O 2.71Å; T345-I387 HydrophobicContact CG2-CD1 4.16Å
346A98.6Very high96.9Very high0 Ų029.7 Ų29.70%017%0.167CC..  trans-129.6172.617100000108.6L9 F12 I105 I364L9-A346 WeakPolarHBondContact O-CA 3.48Å; L9-A346 VanDerWaalsContact O-CB 3.27Å; L9-A346 WeakPolarHBondContact O-CB 3.26Å; F12-A346 HydrophobicContact CB-CB 4.02Å; F12-A346 WeakPolarHBondContact O-CB 3.29Å; I105-A346 WeakPolarHBondContact CD1-O 3.45Å; A346-I364 HydrophobicContact CB-CB 4.01Å; A346-I364 HydrophobicContact CB-CG2 3.83Å; A346-I364 WeakPolarHBondContact O-CD1 3.44Å
347D97.7Very high96.3Very high0 Ų032.9 Ų32.90%019%0.188CC..SBendtrans-107.8-17.9176.462-38.1000113.1V8 D10 S11 T98 G101 H102 I105 F384V8-D347 HydrophobicContact CG1-CB 4.15Å; D10-D347 WeakPolarHBondContact CA-OD1 3.36Å; S11-D347 PolarHBondContact N-OD1 2.69Å; T98-D347 WeakPolarHBondContact CA-OD2 3.41Å; G101-D347 VanDerWaalsContact CA-O 3.29Å; G101-D347 WeakPolarHBondContact CA-O 3.26Å; H102-D347 IonicContact CD2-OD2 3.48Å; H102-D347 PolarHBondContact CD2-OD2 3.17Å; H102-D347 IonicContact NE2-OD2 3.89Å; I105-D347 HydrophobicContact CD1-CB 4.28Å; D347-F384 WeakPolarHBondContact O-CE2 3.34Å
348H96.9Very high95.9Very high1 Ų132.1 Ų32.11%0.00519%0.192CC..SBendtrans-166.8-170170.948.682.4000109.4D10 S11 F12 G13 D306 H359D10-H348 IonicContact OD1-CE1 3.65Å; D10-H348 IonicContact OD1-NE2 2.7Å; S11-H348 CarbonylContact C-O 3.52Å; S11-H348 VanDerWaalsContact CA-O 3.23Å; S11-H348 WeakPolarHBondContact CA-O 3.26Å; S11-H348 VanDerWaalsContact CB-CE1 3.43Å; S11-H348 WeakPolarHBondContact CB-CE1 3.47Å; S11-H348 WeakPolarHBondContact CB-ND1 3.49Å; F12-H348 PolarHBondContact N-O 2.96Å; G13-H348 PolarHBondContact N-O 2.97Å; D306-H348 IonicContact OD1-CE1 3.39Å; H348-H359 AromaticContact CD2-CE1 3.98Å; H348-H359 AromaticContact CD2-ND1 3.73Å; H348-H359 AromaticContact CE1-CD2 3.53Å; H348-H359 AromaticContact CE1-CE1 3.22Å; H348-H359 PolarHBondContact CE1-CE1 2.93Å; H348-H359 AromaticContact CE1-CG 3.44Å; H348-H359 VanDerWaalsContact CE1-CG 3.44Å; H348-H359 AromaticContact CE1-ND1 3.24Å; H348-H359 PolarHBondContact CE1-ND1 2.94Å; H348-H359 AromaticContact CE1-NE2 3.45Å; H348-H359 PolarHBondContact CE1-NE2 3.14Å; H348-H359 AromaticContact CG-ND1 3.85Å; H348-H359 AromaticContact ND1-CE1 4Å; H348-H359 AromaticContact ND1-CG 3.55Å; H348-H359 AromaticContact ND1-ND1 3.55Å; H348-H359 AromaticContact NE2-CE1 3.15Å; H348-H359 PolarHBondContact NE2-CE1 2.97Å; H348-H359 AromaticContact NE2-ND1 3.32Å; H348-H359 PolarHBondContact NE2-ND1 3.36Å; H348-H359 AromaticContact NE2-NE2 3.79Å
349G97.6Very high95.8Very high0 Ų027.1 Ų27.10%017%0.165CC..BIsolated β-bridgetrans-97.3161164.300000112.4S11 H359 T360S11-G349 CarbonylContact O-C 3.59Å; S11-G349 WeakPolarHBondContact O-CA 3.31Å; G349-H359 WeakPolarHBondContact O-CA 3.42Å; G349-H359 WeakPolarHBondContact O-CB 3.38Å; G349-T360 CarbonylContact C-O 3.52Å; G349-T360 VanDerWaalsContact CA-O 3.31Å; G349-T360 WeakPolarHBondContact CA-O 3.49Å; G349-T360 PolarHBondContact N-O 3.4Å; G349-T360 VanDerWaalsContact N-O 3.09Å; G349-T360 PolarHBondContact O-N 2.63Å; G349-T360 PolarHBondContact O-OG1 3.01Å
350C96.3Very high95.8Very high0 Ų024.7 Ų24.70%015%0.152CC..  trans-15772.3163.9-168.50000109.1S11 T30 R313 P352 T360S11-C350 PolarHBondContact O-N 2.81Å; S11-C350 WeakPolarHBondContact OG-CB 3.33Å; T30-C350 PolarHBondContact OG1-N 2.79Å; R313-C350 PolarHBondContact NH1-SG 3.49Å; R313-C350 VanDerWaalsContact NH1-SG 3.41Å; C350-P352 VanDerWaalsContact O-CD 3.31Å; C350-P352 WeakPolarHBondContact O-CD 3.42Å; C350-P352 VanDerWaalsContact O-N 3.1Å; C350-T360 WeakPolarHBondContact CA-OG1 3.46Å; C350-T360 PolarHBondContact N-OG1 2.92Å; C350-T360 VanDerWaalsContact N-OG1 3.1Å
351D97.5Very high95.7Very high0 Ų024.7 Ų24.70%015%0.152CC..  trans-59.7115-173171.1-2.6000110.9D29 T30 H33 R313 T353 W354 T360D29-D351 PolarHBondContact N-OD2 3.27Å; T30-D351 VanDerWaalsContact OG1-CA 3.27Å; T30-D351 WeakPolarHBondContact OG1-CA 3.45Å; T30-D351 PolarHBondContact OG1-N 2.97Å; H33-D351 IonicContact CE1-OD2 2.67Å; H33-D351 PolarHBondContact CE1-OD2 3.49Å; H33-D351 IonicContact CG-OD2 2.67Å; H33-D351 IonicContact ND1-OD1 2.69Å; H33-D351 IonicContact ND1-OD2 3.07Å; H33-D351 PolarHBondContact ND1-OD2 2.99Å; R313-D351 PolarHBondContact NH1-O 2.92Å; D351-T353 PolarHBondContact O-N 3.42Å; D351-T353 WeakPolarHBondContact OD1-CA 3.45Å; D351-T353 WeakPolarHBondContact OD1-CB 3.34Å; D351-T353 PolarHBondContact OD1-N 3.16Å; D351-T353 PolarHBondContact OD1-OG1 2.82Å; D351-T353 PolarHBondContact OD2-OG1 3.42Å; D351-W354 HydrophobicContact CB-CB 3.99Å; D351-W354 VanDerWaalsContact O-CB 3.24Å; D351-W354 WeakPolarHBondContact O-CB 3.43Å; D351-W354 PolarHBondContact O-N 2.97Å; D351-T360 HydrophobicContact CB-CG2 4.25Å; D351-T360 PolarHBondContact N-OG1 2.75Å; D351-T360 VanDerWaalsContact N-OG1 3.11Å
352P96.7Very high95.7Very high5 Ų524.5 Ų24.53%0.03215%0.151CC..THydrogen-bonded Turntrans-70.3-4.1-17429.3-35.4000113.3I34 R313 V315 Y318 C350I34-P352 HydrophobicContact CD1-CG 3.78Å; I34-P352 HydrophobicContact CG1-CG 3.49Å; I34-P352 VanDerWaalsContact CG1-CG 3.49Å; R313-P352 WeakPolarHBondContact CA-O 3.4Å; R313-P352 VanDerWaalsContact CB-O 3.26Å; R313-P352 WeakPolarHBondContact CB-O 3.22Å; R313-P352 WeakPolarHBondContact CD-O 3.21Å; V315-P352 HydrophobicContact CB-CG 4.43Å; V315-P352 HydrophobicContact CG2-CB 3.88Å; V315-P352 HydrophobicContact CG2-CG 3.99Å; Y318-P352 HydrophobicContact CD2-CB 4.45Å; Y318-P352 HydrophobicContact CD2-CG 4.1Å; C350-P352 VanDerWaalsContact O-CD 3.31Å; C350-P352 WeakPolarHBondContact O-CD 3.42Å; C350-P352 VanDerWaalsContact O-N 3.1Å
353T96Very high95.7Very high67 Ų6724.6 Ų24.641%0.41115%0.151SC..THydrogen-bonded Turntrans-99.4-8.417273.30000113.1H33 V315 D351H33-T353 HydrophobicContact CB-CG2 3.93Å; H33-T353 WeakPolarHBondContact CB-OG1 3.28Å; H33-T353 PolarHBondContact ND1-OG1 3.03Å; V315-T353 HydrophobicContact CG2-CG2 3.85Å; D351-T353 PolarHBondContact O-N 3.42Å; D351-T353 WeakPolarHBondContact OD1-CA 3.45Å; D351-T353 WeakPolarHBondContact OD1-CB 3.34Å; D351-T353 PolarHBondContact OD1-N 3.16Å; D351-T353 PolarHBondContact OD1-OG1 2.82Å; D351-T353 PolarHBondContact OD2-OG1 3.42Å
354W94.7Very high95.7Very high56 Ų5624.6 Ų24.621%0.21215%0.151CC..SBendtrans-70.2158.3-176.7-154.9-117.9000112.6D25 V26 A28 R313 D351 T360D25-W354 PolarHBondContact OD1-NE1 3.37Å; D25-W354 VanDerWaalsContact OD1-NE1 3.17Å; V26-W354 VanDerWaalsContact O-CH2 3.24Å; V26-W354 WeakPolarHBondContact O-CH2 3.43Å; A28-W354 HydrophobicContact CB-CD2 4.13Å; A28-W354 HydrophobicContact CB-CE3 4.05Å; A28-W354 HydrophobicContact CB-CH2 4.49Å; A28-W354 HydrophobicContact CB-CZ3 4.24Å; R313-W354 PolarHBondContact NE-O 3.13Å; D351-W354 HydrophobicContact CB-CB 3.99Å; D351-W354 VanDerWaalsContact O-CB 3.24Å; D351-W354 WeakPolarHBondContact O-CB 3.43Å; D351-W354 PolarHBondContact O-N 2.97Å; W354-T360 HydrophobicContact CB-CG2 3.97Å; W354-T360 HydrophobicContact CD2-CG2 4.19Å; W354-T360 HydrophobicContact CG-CG2 3.59Å
355T92Very high95.7Very high118 Ų11824.7 Ų24.772%0.72415%0.152SC*.SBendtrans-68156.5173.967.30000111.5R313R313-T355 PolarHBondContact NH2-O 3.36Å; R313-T355 VanDerWaalsContact NH2-O 3.11Å
356G89.2Confident95.7Very high59 Ų5924.7 Ų24.761%0.60815%0.152SC*.SBendtrans64.9-158.3-174.800000112.6R313R313-G356 PolarHBondContact NE-O 2.93Å; R313-G356 PolarHBondContact NH2-O 3.17Å
357T86.7Confident95.7Very high90 Ų9024.8 Ų24.855%0.55215%0.152SC*.SBendtrans-136.113.4179.959.60000112.2H311H311-T357 PolarHBondContact ND1-O 2.84Å; H311-T357 WeakPolarHBondContact O-CB 3.41Å
358D88.5Confident95.8Very high96 Ų9624.8 Ų24.851%0.51315%0.152SC..SBendtrans-90169.4-179.2-161.211.4000110.8R313R313-D358 PolarHBondContact NH2-O 2.79Å
359H94.3Very high95.9Very high15 Ų1527.5 Ų27.57%0.06916%0.163CC..  trans-59.9161.4175.2-56.8173.4000111.1K96 D306 H311 H348 G349K96-H359 HydrophobicContact CD-CB 4.05Å; K96-H359 VanDerWaalsContact CE-O 3.28Å; K96-H359 WeakPolarHBondContact CE-O 3.13Å; K96-H359 HydrophobicContact CG-CB 4.16Å; K96-H359 PolarHBondContact NZ-O 3.48Å; K96-H359 PolarHBondContact O-ND1 2.64Å; D306-H359 IonicContact OD1-CD2 3.54Å; D306-H359 IonicContact OD1-NE2 2.92Å; D306-H359 IonicContact OD2-NE2 3.61Å; H311-H359 AromaticContact CE1-CD2 3.3Å; H311-H359 PolarHBondContact CE1-CD2 3.09Å; H311-H359 AromaticContact CE1-NE2 3.25Å; H311-H359 PolarHBondContact CE1-NE2 3.13Å; H311-H359 AromaticContact NE2-CD2 3.69Å; H311-H359 AromaticContact NE2-NE2 3.2Å; H311-H359 PolarHBondContact NE2-NE2 3.11Å; H348-H359 AromaticContact CD2-CE1 3.98Å; H348-H359 AromaticContact CD2-ND1 3.73Å; H348-H359 AromaticContact CE1-CD2 3.53Å; H348-H359 AromaticContact CE1-CE1 3.22Å; H348-H359 PolarHBondContact CE1-CE1 2.93Å; H348-H359 AromaticContact CE1-CG 3.44Å; H348-H359 VanDerWaalsContact CE1-CG 3.44Å; H348-H359 AromaticContact CE1-ND1 3.24Å; H348-H359 PolarHBondContact CE1-ND1 2.94Å; H348-H359 AromaticContact CE1-NE2 3.45Å; H348-H359 PolarHBondContact CE1-NE2 3.14Å; H348-H359 AromaticContact CG-ND1 3.85Å; H348-H359 AromaticContact ND1-CE1 4Å; H348-H359 AromaticContact ND1-CG 3.55Å; H348-H359 AromaticContact ND1-ND1 3.55Å; H348-H359 AromaticContact NE2-CE1 3.15Å; H348-H359 PolarHBondContact NE2-CE1 2.97Å; H348-H359 AromaticContact NE2-ND1 3.32Å; H348-H359 PolarHBondContact NE2-ND1 3.36Å; H348-H359 AromaticContact NE2-NE2 3.79Å; G349-H359 WeakPolarHBondContact O-CA 3.42Å; G349-H359 WeakPolarHBondContact O-CB 3.38Å
360T96.2Very high95.9Very high0 Ų027.8 Ų27.80%017%0.166CC..BIsolated β-bridgetrans-117.7140174.842.60000110.5D25 A28 G349 C350 D351 W354 E362D25-T360 WeakPolarHBondContact OD2-CA 3.11Å; A28-T360 HydrophobicContact CB-CG2 3.68Å; G349-T360 CarbonylContact C-O 3.52Å; G349-T360 VanDerWaalsContact CA-O 3.31Å; G349-T360 WeakPolarHBondContact CA-O 3.49Å; G349-T360 PolarHBondContact N-O 3.4Å; G349-T360 VanDerWaalsContact N-O 3.09Å; G349-T360 PolarHBondContact O-N 2.63Å; G349-T360 PolarHBondContact O-OG1 3.01Å; C350-T360 WeakPolarHBondContact CA-OG1 3.46Å; C350-T360 PolarHBondContact N-OG1 2.92Å; C350-T360 VanDerWaalsContact N-OG1 3.1Å; D351-T360 HydrophobicContact CB-CG2 4.25Å; D351-T360 PolarHBondContact N-OG1 2.75Å; D351-T360 VanDerWaalsContact N-OG1 3.11Å; W354-T360 HydrophobicContact CB-CG2 3.97Å; W354-T360 HydrophobicContact CD2-CG2 4.19Å; W354-T360 HydrophobicContact CG-CG2 3.59Å; T360-E362 WeakPolarHBondContact CB-OE1 3.27Å; T360-E362 PolarHBondContact O-N 3.33Å; T360-E362 PolarHBondContact OG1-OE1 2.94Å
361R97.1Very high95.9Very high2 Ų231.4 Ų31.41%0.00819%0.19CC..  trans-77.4102175.6-174.565.7165.2-156-13110.4A16 T17 D19 A20 F23 D25 E91 S93 G95A16-R361 WeakPolarHBondContact CA-O 3.33Å; T17-R361 PolarHBondContact N-O 3.29Å; T17-R361 VanDerWaalsContact OG1-CG 3.25Å; T17-R361 WeakPolarHBondContact OG1-CG 3.4Å; D19-R361 WeakPolarHBondContact OD1-CG 3.2Å; D19-R361 IonicContact OD1-CZ 3.39Å; D19-R361 IonicContact OD1-NE 3.81Å; D19-R361 PolarHBondContact OD1-NE 3.05Å; D19-R361 IonicContact OD1-NH2 3.65Å; D19-R361 IonicContact OD2-CZ 3.88Å; D19-R361 IonicContact OD2-NE 3.39Å; D19-R361 IonicContact OD2-NH2 3.18Å; D19-R361 PolarHBondContact OD2-NH2 3.38Å; A20-R361 HydrophobicContact CB-CB 4.26Å; A20-R361 HydrophobicContact CB-CG 4.4Å; F23-R361 HydrophobicContact CB-CB 4.13Å; F23-R361 HydrophobicContact CD2-CB 3.69Å; F23-R361 HydrophobicContact CD2-CG 3.61Å; F23-R361 HydrophobicContact CE2-CB 4.3Å; F23-R361 HydrophobicContact CE2-CG 3.78Å; F23-R361 HydrophobicContact CG-CB 4Å; F23-R361 HydrophobicContact CG-CG 4.38Å; D25-R361 HydrophobicContact CB-CB 4.19Å; D25-R361 PolarHBondContact OD2-N 3.41Å; E91-R361 VanDerWaalsContact CG-NH1 3.34Å; E91-R361 PolarHBondContact O-NH2 3.08Å; E91-R361 IonicContact OE1-NH1 3.07Å; E91-R361 IonicContact OE2-CZ 2.91Å; E91-R361 IonicContact OE2-NH1 3.64Å; E91-R361 PolarHBondContact OE2-NH1 3.29Å; S93-R361 PolarHBondContact O-NH1 2.99Å; S93-R361 VanDerWaalsContact O-NH1 3.11Å; S93-R361 PolarHBondContact O-NH2 3.07Å; G95-R361 PolarHBondContact O-NH1 3.19Å
362E98.4Very high95.8Very high1 Ų138.5 Ų38.51%0.00522%0.22CC..BIsolated β-bridgetrans-137.4156.8-174.9-66.3-177.2-126.200111.6G13 I14 G15 A28 D29 T30 T360G13-E362 VanDerWaalsContact C-OE2 3.24Å; G13-E362 WeakPolarHBondContact CA-OE2 3.36Å; I14-E362 PolarHBondContact N-OE2 3.3Å; G15-E362 PolarHBondContact N-OE2 2.86Å; G15-E362 CarbonylContact O-C 3.51Å; G15-E362 VanDerWaalsContact O-CA 3.28Å; G15-E362 WeakPolarHBondContact O-CA 3.48Å; G15-E362 WeakPolarHBondContact O-CB 3.39Å; A28-E362 HydrophobicContact CB-CG 3.97Å; D29-E362 WeakPolarHBondContact CA-OE2 3.33Å; T30-E362 PolarHBondContact N-OE1 3.2Å; T30-E362 PolarHBondContact N-OE2 3.49Å; T30-E362 PolarHBondContact OG1-OE1 2.82Å; T30-E362 PolarHBondContact OG1-OE2 3.28Å; T360-E362 WeakPolarHBondContact CB-OE1 3.27Å; T360-E362 PolarHBondContact O-N 3.33Å; T360-E362 PolarHBondContact OG1-OE1 2.94Å
363H98.7Very high95.9Very high3 Ų339.1 Ų39.11%0.01422%0.224CC..PPolyproline II helixtrans-61.4143.9163-64.7111.2000110G13 I14 G15 E18 S68 W88 A89 H380G13-H363 WeakPolarHBondContact CA-O 3.46Å; I14-H363 HydrophobicContact CG1-CB 4.1Å; I14-H363 VanDerWaalsContact CG1-O 3.27Å; I14-H363 WeakPolarHBondContact CG1-O 3.48Å; I14-H363 PolarHBondContact N-O 3.25Å; G15-H363 PolarHBondContact O-N 3.43Å; G15-H363 PolarHBondContact O-ND1 2.88Å; E18-H363 IonicContact OE2-NE2 3.54Å; S68-H363 PolarHBondContact OG-ND1 3.16Å; W88-H363 HydrophobicContact CB-CB 4.23Å; W88-H363 AromaticContact CD1-CD2 3.89Å; A89-H363 CarbonylContact O-C 3.58Å; A89-H363 WeakPolarHBondContact O-CA 3.29Å; A89-H363 WeakPolarHBondContact O-CB 3.46Å; H363-H380 AromaticContact NE2-NE2 3.66Å
364I98.8Very high96Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-97147.1169.467.4178.6000109.9W88 A89 I105 T345 A346 V366 F384W88-I364 WeakPolarHBondContact CA-O 3.33Å; A89-I364 HydrophobicContact CB-CD1 4.38Å; A89-I364 HydrophobicContact CB-CG1 3.89Å; A89-I364 PolarHBondContact N-O 3.44Å; A89-I364 PolarHBondContact O-N 2.73Å; I105-I364 HydrophobicContact CG1-CD1 4.46Å; T345-I364 WeakPolarHBondContact OG1-CD1 3.2Å; A346-I364 HydrophobicContact CB-CB 4.01Å; A346-I364 HydrophobicContact CB-CG2 3.83Å; A346-I364 WeakPolarHBondContact O-CD1 3.44Å; I364-V366 HydrophobicContact CG1-CG2 4.34Å; I364-F384 HydrophobicContact CB-CE1 4.19Å; I364-F384 HydrophobicContact CB-CZ 4.19Å; I364-F384 HydrophobicContact CD1-CB 4.07Å; I364-F384 HydrophobicContact CD1-CD1 3.25Å; I364-F384 HydrophobicContact CD1-CD2 3.68Å; I364-F384 HydrophobicContact CD1-CE1 3.42Å; I364-F384 VanDerWaalsContact CD1-CE1 3.42Å; I364-F384 HydrophobicContact CD1-CE2 3.82Å; I364-F384 HydrophobicContact CD1-CG 3.38Å; I364-F384 HydrophobicContact CD1-CZ 3.67Å; I364-F384 HydrophobicContact CG1-CD1 3.65Å; I364-F384 HydrophobicContact CG1-CE1 3.4Å; I364-F384 HydrophobicContact CG1-CE2 4.45Å; I364-F384 HydrophobicContact CG1-CG 4.29Å; I364-F384 HydrophobicContact CG1-CZ 3.82Å; I364-F384 HydrophobicContact CG2-CE1 3.93Å; I364-F384 HydrophobicContact CG2-CE2 4.05Å; I364-F384 HydrophobicContact CG2-CZ 3.44Å; I364-F384 VanDerWaalsContact CG2-CZ 3.44Å
365P98.8Very high96.2Very high4 Ų445 Ų453%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-70141.7169.329.3-31.1000109.3F12 I14 L61 T345 L367F12-P365 HydrophobicContact CD1-CG 4.21Å; F12-P365 WeakPolarHBondContact O-CD 3.45Å; I14-P365 HydrophobicContact CD1-CB 4.01Å; I14-P365 HydrophobicContact CG2-CB 4.14Å; I14-P365 HydrophobicContact CG2-CG 4.1Å; L61-P365 HydrophobicContact CD1-CB 3.83Å; L61-P365 HydrophobicContact CD1-CG 4.25Å; T345-P365 WeakPolarHBondContact CA-O 3.47Å; T345-P365 VanDerWaalsContact CB-O 3.26Å; T345-P365 WeakPolarHBondContact CB-O 3.46Å; T345-P365 PolarHBondContact OG1-O 2.71Å; P365-L367 HydrophobicContact CB-CG 4.42Å
366V98.9Very high96.5Very high1 Ų140.6 Ų40.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-123.397.7168.2-176.80000107.8Y86 A87 A89 I364 V368 I387 M406Y86-V366 CarbonylContact C-O 3.59Å; Y86-V366 VanDerWaalsContact CA-O 3.31Å; Y86-V366 WeakPolarHBondContact CA-O 3.39Å; A87-V366 HydrophobicContact CB-CB 3.89Å; A87-V366 PolarHBondContact N-O 2.99Å; A87-V366 PolarHBondContact O-N 2.91Å; A89-V366 HydrophobicContact CB-CG2 3.7Å; I364-V366 HydrophobicContact CG1-CG2 4.34Å; V366-V368 HydrophobicContact CG1-CG2 4.28Å; V366-I387 HydrophobicContact CG1-CD1 4.23Å; V366-I387 HydrophobicContact CG1-CG1 3.94Å; V366-I387 HydrophobicContact CG2-CD1 4.01Å; V366-I387 HydrophobicContact CG2-CG1 4.37Å; V366-M406 HydrophobicContact CG1-CE 3.89Å; V366-M406 HydrophobicContact CG1-SD 4.13Å
367L98.9Very high96.9Very high2 Ų241 Ų411%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-106.4123.1-179.3-48.3179.4000109L56 L59 L61 A64 A85 I343 L344 P365L56-L367 HydrophobicContact CD2-CD1 3.96Å; L59-L367 HydrophobicContact CB-CB 4.4Å; L59-L367 HydrophobicContact CB-CD1 4.15Å; L61-L367 HydrophobicContact CB-CD1 4.01Å; L61-L367 HydrophobicContact CD1-CD1 4.34Å; A64-L367 HydrophobicContact CB-CD2 4.39Å; A85-L367 CarbonylContact O-C 3.54Å; A85-L367 WeakPolarHBondContact O-CA 3.33Å; I343-L367 CarbonylContact C-O 3.58Å; I343-L367 VanDerWaalsContact CA-O 3.31Å; I343-L367 WeakPolarHBondContact CA-O 3.34Å; L344-L367 HydrophobicContact CB-CB 4.27Å; L344-L367 HydrophobicContact CD1-CB 4.34Å; L344-L367 PolarHBondContact N-O 2.88Å; L344-L367 PolarHBondContact O-N 3.13Å; P365-L367 HydrophobicContact CB-CG 4.42Å
368V98.8Very high97.5Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-118.8128.6-179.2-169.10000109.8G84 A85 L342 I343 V366 V373 L378 F407G84-V368 CarbonylContact C-O 3.58Å; G84-V368 WeakPolarHBondContact CA-O 3.47Å; A85-V368 HydrophobicContact CB-CB 4.32Å; A85-V368 PolarHBondContact N-O 2.81Å; A85-V368 PolarHBondContact O-N 2.87Å; L342-V368 CarbonylContact O-C 3.55Å; L342-V368 WeakPolarHBondContact O-CA 3.35Å; I343-V368 HydrophobicContact CG1-CG1 4.33Å; I343-V368 HydrophobicContact CG1-CG2 4.33Å; V366-V368 HydrophobicContact CG1-CG2 4.28Å; V368-V373 HydrophobicContact CB-CG1 4.31Å; V368-V373 HydrophobicContact CG1-CG1 4.07Å; V368-V373 HydrophobicContact CG1-CG2 4Å; V368-L378 HydrophobicContact CG2-CD1 4.34Å; V368-F407 HydrophobicContact CB-CE1 4.43Å; V368-F407 HydrophobicContact CG1-CE1 3.92Å; V368-F407 HydrophobicContact CG1-CZ 3.91Å; V368-F407 HydrophobicContact CG2-CE1 4.31Å
369Y98.7Very high97.9Very high58 Ų5834.8 Ų34.823%0.22719%0.192CC..EExtended strand (participates in β ladder)trans-133.7144.7179.3-178.9-105000111L59 I83 M333 L336 L342L59-Y369 HydrophobicContact CD2-CD2 3.68Å; L59-Y369 HydrophobicContact CD2-CE2 4.48Å; L59-Y369 HydrophobicContact CD2-CG 3.83Å; I83-Y369 HydrophobicContact CD1-CE2 4Å; I83-Y369 HydrophobicContact CG1-CD2 4.4Å; I83-Y369 HydrophobicContact CG1-CE2 4.14Å; M333-Y369 HydrophobicContact CB-CD1 4.32Å; M333-Y369 HydrophobicContact CB-CE1 3.85Å; M333-Y369 HydrophobicContact CE-CD1 3.95Å; M333-Y369 HydrophobicContact CE-CD2 4.26Å; M333-Y369 HydrophobicContact CE-CE1 3.52Å; M333-Y369 HydrophobicContact CE-CE2 3.85Å; M333-Y369 HydrophobicContact CE-CG 4.3Å; M333-Y369 VanDerWaalsContact CE-CZ 3.46Å; M333-Y369 HydrophobicContact CG-CD1 3.92Å; M333-Y369 HydrophobicContact CG-CE1 3.89Å; L336-Y369 HydrophobicContact CD1-CD1 3.48Å; L336-Y369 VanDerWaalsContact CD1-CD1 3.48Å; L336-Y369 HydrophobicContact CD1-CE1 3.77Å; L342-Y369 PolarHBondContact N-O 2.71Å; L342-Y369 PolarHBondContact O-N 2.99Å
370G97.9Very high98.1Very high6 Ų636.6 Ų36.66%0.06220%0.2CC..  trans170.3161.4175.700000111.1K372 V373G370-K372 PolarHBondContact O-N 3.47Å; G370-K372 VanDerWaalsContact O-N 3.1Å; G370-V373 PolarHBondContact O-N 2.98Å
371P96.7Very high98.2Very high77 Ų7738.4 Ų38.450%0.521%0.207SC..THydrogen-bonded Turntrans-60-27.5-173.2-27.738000114.6R337R337-P371 WeakPolarHBondContact O-CD 3.34Å; R337-P371 WeakPolarHBondContact O-CG 3.45Å
372K96.7Very high98.2Very high148 Ų14844.1 Ų44.164%0.64323%0.234SC*.THydrogen-bonded Turntrans-1050.4177.8-70.9177.2-175.3177.50114.1D338 D339 G370 K374D338-K372 WeakPolarHBondContact O-CD 3.08Å; D338-K372 WeakPolarHBondContact O-CE 3.38Å; D338-K372 VanDerWaalsContact O-CG 3.32Å; D338-K372 WeakPolarHBondContact O-CG 2.89Å; D339-K372 IonicContact OD1-NZ 3Å; D339-K372 PolarHBondContact OD1-NZ 3.08Å; G370-K372 PolarHBondContact O-N 3.47Å; G370-K372 VanDerWaalsContact O-N 3.1Å; K372-K374 PolarHBondContact O-N 3.25Å
373V97.8Very high98.2Very high19 Ų1944.3 Ų44.312%0.11524%0.235CC..PPolyproline II helixtrans-76.3123177.1178.20000108A85 I341 V368 G370 P375A85-V373 HydrophobicContact CB-CG1 3.77Å; I341-V373 HydrophobicContact CG2-CG2 3.84Å; V368-V373 HydrophobicContact CB-CG1 4.31Å; V368-V373 HydrophobicContact CG1-CG1 4.07Å; V368-V373 HydrophobicContact CG1-CG2 4Å; G370-V373 PolarHBondContact O-N 2.98Å; V373-P375 WeakPolarHBondContact O-CD 3.44Å
374K97.9Very high98.2Very high181 Ų18144.1 Ų44.179%0.78723%0.234SC*.PPolyproline II helixtrans-75.4121.1176.8-176.3-179.5175.8-174.20109.3K372K372-K374 PolarHBondContact O-N 3.25Å
375P98.4Very high98.2Very high64 Ų6444.1 Ų44.142%0.41623%0.234SC..PPolyproline II helixtrans-64.7148.6177.8-20.933.2000112.5I83 G84 V373I83-P375 WeakPolarHBondContact O-CG 3.43Å; G84-P375 VanDerWaalsContact O-CA 3.25Å; G84-P375 WeakPolarHBondContact O-CA 3.14Å; V373-P375 WeakPolarHBondContact O-CD 3.44Å
376G98.1Very high98.2Very high26 Ų2644.3 Ų44.327%0.26824%0.235SC..EExtended strand (participates in β ladder)trans134.3-177.9176.700000114.3G84 A85 Y86G84-G376 PolarHBondContact O-N 3.16Å; A85-G376 CarbonylContact C-O 3.53Å; A85-G376 WeakPolarHBondContact CA-O 3.49Å; Y86-G376 WeakPolarHBondContact CD1-O 3.27Å; Y86-G376 VanDerWaalsContact CE1-C 3.47Å; Y86-G376 PolarHBondContact N-O 3.16Å
377S98.4Very high98.2Very high67 Ų6744.3 Ų44.347%0.46924%0.235SC..EExtended strand (participates in β ladder)trans-73.4133.6-179.2-170.60000111.7Y86 G379Y86-S377 CarbonylContact O-C 3.59Å; S377-G379 PolarHBondContact OG-N 2.54Å
378L98.6Very high98.2Very high34 Ų3444.2 Ų44.218%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-96.82.3164.8-59.2175.3000111.8A85 Y86 A87 V368 R381 M406A85-L378 HydrophobicContact CB-CD1 3.73Å; A85-L378 HydrophobicContact CB-CD2 4.19Å; A85-L378 HydrophobicContact CB-CG 3.88Å; Y86-L378 PolarHBondContact O-N 3.16Å; A87-L378 HydrophobicContact CB-CB 3.85Å; V368-L378 HydrophobicContact CG2-CD1 4.34Å; L378-R381 WeakPolarHBondContact O-CD 3.3Å; L378-R381 PolarHBondContact O-NH1 3.03Å; L378-R381 VanDerWaalsContact O-NH1 3.12Å; L378-M406 HydrophobicContact CB-SD 4.44Å; L378-M406 HydrophobicContact CD1-CB 4.06Å; L378-M406 HydrophobicContact CD1-CG 4.45Å; L378-M406 HydrophobicContact CD1-SD 3.76Å; L378-M406 HydrophobicContact CD2-CB 4.33Å
379G98Very high98.2Very high22 Ų2245 Ų4523%0.22724%0.238CC..EExtended strand (participates in β ladder)trans71.6-169.6177.400000114.6A87 S377A87-G379 WeakPolarHBondContact CA-O 3.29Å; A87-G379 VanDerWaalsContact CB-O 3.28Å; A87-G379 WeakPolarHBondContact CB-O 3.37Å; S377-G379 PolarHBondContact OG-N 2.54Å
380H98.4Very high98.2Very high54 Ų5442.3 Ų42.325%0.2523%0.228CC..EExtended strand (participates in β ladder)trans-64.7133.9167-180-144.6000110.1W88 H363 E382W88-H380 AromaticContact CD1-CD2 3.59Å; W88-H380 HydrophobicContact CZ2-CB 3.68Å; W88-H380 AromaticContact NE1-CD2 3.46Å; W88-H380 PolarHBondContact NE1-CD2 3.04Å; W88-H380 AromaticContact NE1-CG 3.64Å; H363-H380 AromaticContact NE2-NE2 3.66Å; H380-E382 IonicContact CE1-OE1 2.75Å; H380-E382 PolarHBondContact CE1-OE1 3.23Å; H380-E382 IonicContact CE1-OE2 3.85Å; H380-E382 IonicContact ND1-OE1 2.75Å; H380-E382 PolarHBondContact ND1-OE1 2.96Å
381R98.5Very high98.2Very high38 Ų3842.1 Ų42.114%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-111.8125.4173.5-46.7-50.8-50.2-173.9-2.2109.1A87 W88 A89 H90 L378 T383 D386 K404 M406A87-R381 HydrophobicContact CB-CG 3.57Å; W88-R381 PolarHBondContact O-N 2.97Å; A89-R381 CarbonylContact C-O 3.51Å; A89-R381 WeakPolarHBondContact CA-O 3.34Å; A89-R381 HydrophobicContact CB-CB 3.76Å; A89-R381 HydrophobicContact CB-CG 4.32Å; H90-R381 PolarHBondContact N-O 2.84Å; L378-R381 WeakPolarHBondContact O-CD 3.3Å; L378-R381 PolarHBondContact O-NH1 3.03Å; L378-R381 VanDerWaalsContact O-NH1 3.12Å; R381-T383 PolarHBondContact O-N 2.94Å; R381-D386 HydrophobicContact CB-CB 4.47Å; R381-D386 WeakPolarHBondContact CB-OD2 3.46Å; R381-D386 IonicContact CZ-OD2 3.94Å; R381-D386 IonicContact NE-OD2 2.96Å; R381-D386 PolarHBondContact NE-OD2 3.49Å; R381-D386 IonicContact NH2-OD2 2.97Å; R381-D386 PolarHBondContact NH2-OD2 3.4Å; R381-K404 PolarHBondContact NH2-O 3.39Å; R381-M406 HydrophobicContact CG-SD 4.28Å
382E97.1Very high98.3Very high121 Ų12138.4 Ų38.457%0.56520%0.202SC*.SBendtrans-72.9-7.1-176-56.3-68148.100113.6H90 H380H90-E382 PolarHBondContact ND1-O 3.24Å; H380-E382 IonicContact CE1-OE1 2.75Å; H380-E382 PolarHBondContact CE1-OE1 3.23Å; H380-E382 IonicContact CE1-OE2 3.85Å; H380-E382 IonicContact ND1-OE1 2.75Å; H380-E382 PolarHBondContact ND1-OE1 2.96Å
383T98.4Very high98.4Very high5 Ų536.6 Ų36.63%0.03119%0.193CC..  trans-159.4149.2-177.1177.30000111.4H90 M92 E104 R381 A385 D386H90-T383 CarbonylContact O-C 3.57Å; H90-T383 VanDerWaalsContact O-C 3.32Å; H90-T383 WeakPolarHBondContact O-CA 3.26Å; H90-T383 PolarHBondContact O-N 2.61Å; M92-T383 HydrophobicContact CE-CG2 4.06Å; E104-T383 WeakPolarHBondContact OE1-CA 3.34Å; E104-T383 WeakPolarHBondContact OE1-CB 3.28Å; E104-T383 PolarHBondContact OE1-OG1 2.76Å; R381-T383 PolarHBondContact O-N 2.94Å; T383-A385 HydrophobicContact CG2-CB 3.91Å; T383-A385 PolarHBondContact O-N 3.34Å; T383-A385 VanDerWaalsContact OG1-CB 3.26Å; T383-A385 WeakPolarHBondContact OG1-CB 3.36Å; T383-A385 PolarHBondContact OG1-N 3.44Å; T383-A385 VanDerWaalsContact OG1-N 3.08Å; T383-D386 WeakPolarHBondContact CG2-OD1 3.47Å; T383-D386 PolarHBondContact O-N 3Å
384F98.7Very high98.4Very high0 Ų037 Ų370%019%0.193CC..THydrogen-bonded Turntrans-67.6-20.7170.2-51.3-14.1000111.5A89 H90 E91 E104 I105 D347 I364 D386 I387A89-F384 HydrophobicContact CB-CD1 3.71Å; A89-F384 HydrophobicContact CB-CE1 4.17Å; A89-F384 VanDerWaalsContact O-CE1 3.31Å; A89-F384 WeakPolarHBondContact O-CE1 3.5Å; H90-F384 WeakPolarHBondContact O-CD1 3.49Å; H90-F384 WeakPolarHBondContact O-CE1 3.48Å; H90-F384 PolarHBondContact O-N 3.03Å; E91-F384 HydrophobicContact CB-CD1 4.48Å; E91-F384 HydrophobicContact CB-CD2 4.39Å; E91-F384 HydrophobicContact CB-CE1 3.78Å; E91-F384 HydrophobicContact CB-CE2 3.69Å; E91-F384 HydrophobicContact CB-CZ 3.37Å; E91-F384 HydrophobicContact CG-CD2 4.13Å; E91-F384 HydrophobicContact CG-CE2 3.6Å; E91-F384 HydrophobicContact CG-CZ 3.87Å; E104-F384 HydrophobicContact CB-CB 4.09Å; E104-F384 HydrophobicContact CB-CD2 4.33Å; E104-F384 HydrophobicContact CG-CB 3.79Å; E104-F384 HydrophobicContact CG-CG 4.42Å; E104-F384 CarbonylContact O-C 3.6Å; E104-F384 PolarHBondContact OE1-N 2.78Å; I105-F384 HydrophobicContact CG1-CB 3.9Å; I105-F384 HydrophobicContact CG1-CD2 4.25Å; I105-F384 HydrophobicContact CG1-CG 4.43Å; D347-F384 WeakPolarHBondContact O-CE2 3.34Å; I364-F384 HydrophobicContact CB-CE1 4.19Å; I364-F384 HydrophobicContact CB-CZ 4.19Å; I364-F384 HydrophobicContact CD1-CB 4.07Å; I364-F384 HydrophobicContact CD1-CD1 3.25Å; I364-F384 HydrophobicContact CD1-CD2 3.68Å; I364-F384 HydrophobicContact CD1-CE1 3.42Å; I364-F384 VanDerWaalsContact CD1-CE1 3.42Å; I364-F384 HydrophobicContact CD1-CE2 3.82Å; I364-F384 HydrophobicContact CD1-CG 3.38Å; I364-F384 HydrophobicContact CD1-CZ 3.67Å; I364-F384 HydrophobicContact CG1-CD1 3.65Å; I364-F384 HydrophobicContact CG1-CE1 3.4Å; I364-F384 HydrophobicContact CG1-CE2 4.45Å; I364-F384 HydrophobicContact CG1-CG 4.29Å; I364-F384 HydrophobicContact CG1-CZ 3.82Å; I364-F384 HydrophobicContact CG2-CE1 3.93Å; I364-F384 HydrophobicContact CG2-CE2 4.05Å; I364-F384 HydrophobicContact CG2-CZ 3.44Å; I364-F384 VanDerWaalsContact CG2-CZ 3.44Å; F384-D386 PolarHBondContact O-N 3.24Å; F384-I387 WeakPolarHBondContact O-CB 3.27Å; F384-I387 PolarHBondContact O-N 2.83Å
385A98.6Very high98.5Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-60.9-16.2177.600000113.5E104 T383 I387 G388 Q389E104-A385 HydrophobicContact CG-CB 4.2Å; E104-A385 WeakPolarHBondContact O-CA 3.33Å; E104-A385 PolarHBondContact O-N 3.15Å; T383-A385 HydrophobicContact CG2-CB 3.91Å; T383-A385 PolarHBondContact O-N 3.34Å; T383-A385 VanDerWaalsContact OG1-CB 3.26Å; T383-A385 WeakPolarHBondContact OG1-CB 3.36Å; T383-A385 PolarHBondContact OG1-N 3.44Å; T383-A385 VanDerWaalsContact OG1-N 3.08Å; A385-I387 PolarHBondContact O-N 2.97Å; A385-G388 PolarHBondContact O-N 3.29Å; A385-G388 VanDerWaalsContact O-N 3.16Å; A385-Q389 PolarHBondContact O-N 3.12Å
386D98.8Very high98.4Very high7 Ų727.7 Ų27.74%0.03716%0.157CC..Hα-helixtrans-59.7-30.8170.1-73.3-0.4000112.1R381 T383 F384 T390 G403 K404 M406R381-D386 HydrophobicContact CB-CB 4.47Å; R381-D386 WeakPolarHBondContact CB-OD2 3.46Å; R381-D386 IonicContact CZ-OD2 3.94Å; R381-D386 IonicContact NE-OD2 2.96Å; R381-D386 PolarHBondContact NE-OD2 3.49Å; R381-D386 IonicContact NH2-OD2 2.97Å; R381-D386 PolarHBondContact NH2-OD2 3.4Å; T383-D386 WeakPolarHBondContact CG2-OD1 3.47Å; T383-D386 PolarHBondContact O-N 3Å; F384-D386 PolarHBondContact O-N 3.24Å; D386-T390 WeakPolarHBondContact O-CB 3.42Å; D386-T390 PolarHBondContact O-N 3.17Å; D386-T390 PolarHBondContact O-OG1 2.98Å; D386-G403 WeakPolarHBondContact OD1-CA 3.38Å; D386-K404 PolarHBondContact OD1-N 3Å; D386-M406 HydrophobicContact CB-CG 4.36Å
387I98.9Very high98.5Very high2 Ų227 Ų271%0.0115%0.148CC..Hα-helixtrans-64.6-53.5171.9-65.3161.9000109.6I105 I343 T345 V366 F384 A385 Q389 T390 L391 M406I105-I387 HydrophobicContact CG1-CD1 4.14Å; I105-I387 HydrophobicContact CG2-CB 4.3Å; I105-I387 HydrophobicContact CG2-CD1 4.14Å; I105-I387 HydrophobicContact CG2-CG2 3.92Å; I343-I387 HydrophobicContact CD1-CG2 4.03Å; I343-I387 HydrophobicContact CG2-CG2 4.42Å; T345-I387 HydrophobicContact CG2-CD1 4.16Å; V366-I387 HydrophobicContact CG1-CD1 4.23Å; V366-I387 HydrophobicContact CG1-CG1 3.94Å; V366-I387 HydrophobicContact CG2-CD1 4.01Å; V366-I387 HydrophobicContact CG2-CG1 4.37Å; F384-I387 WeakPolarHBondContact O-CB 3.27Å; F384-I387 PolarHBondContact O-N 2.83Å; A385-I387 PolarHBondContact O-N 2.97Å; I387-Q389 PolarHBondContact O-N 3.11Å; I387-T390 WeakPolarHBondContact O-CB 3.49Å; I387-T390 PolarHBondContact O-N 2.86Å; I387-T390 VanDerWaalsContact O-N 3.16Å; I387-L391 HydrophobicContact CG2-CD1 3.93Å; I387-L391 WeakPolarHBondContact O-CG 3.25Å; I387-L391 PolarHBondContact O-N 3.5Å; I387-M406 HydrophobicContact CG1-CE 4.32Å
388G98.7Very high98.5Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-57.9-45.8179.300000112.7I105 A385 T390 L391 A392I105-G388 VanDerWaalsContact O-CA 3.26Å; I105-G388 WeakPolarHBondContact O-CA 3.4Å; I105-G388 PolarHBondContact O-N 3.17Å; A385-G388 PolarHBondContact O-N 3.29Å; A385-G388 VanDerWaalsContact O-N 3.16Å; G388-T390 PolarHBondContact O-N 3.21Å; G388-L391 PolarHBondContact O-N 2.9Å; G388-A392 WeakPolarHBondContact O-CB 3.17Å; G388-A392 PolarHBondContact O-N 3.49Å
389Q98.8Very high98.5Very high16 Ų1630.3 Ų30.38%0.07517%0.165CC..Hα-helixtrans-67.3-35.1177-177.955.325.600112.5A385 I387 A392 K393 D399 M400 A405A385-Q389 PolarHBondContact O-N 3.12Å; I387-Q389 PolarHBondContact O-N 3.11Å; Q389-A392 PolarHBondContact O-N 3.28Å; Q389-K393 PolarHBondContact O-N 3.09Å; Q389-K393 VanDerWaalsContact O-N 3.09Å; Q389-D399 PolarHBondContact NE2-OD1 2.74Å; Q389-M400 HydrophobicContact CB-CB 4.46Å; Q389-M400 HydrophobicContact CB-CG 4.44Å; Q389-A405 HydrophobicContact CG-CB 4.26Å
390T98.8Very high98.5Very high2 Ų230 Ų301%0.01216%0.158CC..Hα-helixtrans-64-42.8172.8-60.30000111D386 I387 G388 K393 Y394 A405 M406 F407D386-T390 WeakPolarHBondContact O-CB 3.42Å; D386-T390 PolarHBondContact O-N 3.17Å; D386-T390 PolarHBondContact O-OG1 2.98Å; I387-T390 WeakPolarHBondContact O-CB 3.49Å; I387-T390 PolarHBondContact O-N 2.86Å; I387-T390 VanDerWaalsContact O-N 3.16Å; G388-T390 PolarHBondContact O-N 3.21Å; T390-K393 PolarHBondContact O-N 2.9Å; T390-Y394 VanDerWaalsContact O-CB 3.26Å; T390-Y394 WeakPolarHBondContact O-CB 3.07Å; T390-Y394 PolarHBondContact O-N 3.33Å; T390-A405 WeakPolarHBondContact OG1-CA 3.48Å; T390-M406 HydrophobicContact CG2-CE 4.39Å; T390-M406 WeakPolarHBondContact OG1-CE 3.46Å; T390-M406 PolarHBondContact OG1-N 3.39Å; T390-F407 HydrophobicContact CG2-CD1 4.12Å; T390-F407 HydrophobicContact CG2-CD2 4.26Å; T390-F407 HydrophobicContact CG2-CE1 3.6Å; T390-F407 HydrophobicContact CG2-CE2 3.77Å; T390-F407 HydrophobicContact CG2-CG 4.42Å; T390-F407 HydrophobicContact CG2-CZ 3.4Å; T390-F407 VanDerWaalsContact CG2-CZ 3.4Å
391L98.8Very high98.5Very high1 Ų135 Ų351%0.00518%0.181CC..Hα-helixtrans-65-40.5175.8-71166.4000111.8A4 I6 V242 I341 I343 I387 G388 K393 Y394 F395A4-L391 HydrophobicContact CB-CD2 3.48Å; A4-L391 VanDerWaalsContact CB-CD2 3.48Å; I6-L391 HydrophobicContact CD1-CD1 3.56Å; I6-L391 HydrophobicContact CG1-CD1 4.42Å; V242-L391 HydrophobicContact CG1-CB 4.35Å; V242-L391 HydrophobicContact CG1-CD1 4.19Å; V242-L391 HydrophobicContact CG2-CB 3.83Å; I341-L391 HydrophobicContact CD1-CD2 3.94Å; I343-L391 HydrophobicContact CD1-CD1 4.48Å; I343-L391 HydrophobicContact CD1-CD2 4.04Å; I343-L391 HydrophobicContact CD1-CG 4.25Å; I387-L391 HydrophobicContact CG2-CD1 3.93Å; I387-L391 WeakPolarHBondContact O-CG 3.25Å; I387-L391 PolarHBondContact O-N 3.5Å; G388-L391 PolarHBondContact O-N 2.9Å; L391-K393 PolarHBondContact O-N 2.68Å; L391-Y394 WeakPolarHBondContact O-CB 3.38Å; L391-Y394 PolarHBondContact O-N 2.66Å; L391-F395 HydrophobicContact CD2-CE2 4.08Å; L391-F395 VanDerWaalsContact O-CD2 3.29Å; L391-F395 WeakPolarHBondContact O-CD2 3.41Å; L391-F395 PolarHBondContact O-N 3.08Å
392A98.7Very high98.4Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-58.3-49.3176.700000111.1V242 G388 Q389 Y394 G396 T397 M400V242-A392 HydrophobicContact CG2-CB 4.09Å; G388-A392 WeakPolarHBondContact O-CB 3.17Å; G388-A392 PolarHBondContact O-N 3.49Å; Q389-A392 PolarHBondContact O-N 3.28Å; A392-Y394 PolarHBondContact O-N 2.71Å; A392-G396 CarbonylContact O-C 3.56Å; A392-G396 WeakPolarHBondContact O-CA 3.24Å; A392-G396 PolarHBondContact O-N 3.05Å; A392-T397 WeakPolarHBondContact CA-OG1 3.32Å; A392-T397 WeakPolarHBondContact CB-OG1 3.4Å; A392-T397 PolarHBondContact O-N 3.1Å; A392-T397 PolarHBondContact O-OG1 2.75Å; A392-M400 HydrophobicContact CB-CG 4.06Å; A392-M400 HydrophobicContact CB-SD 4.37Å
393K98.3Very high98.5Very high109 Ų10932 Ų3247%0.47417%0.173SC..Hα-helixtrans-62.7-41.9173.7-176.5-177.6173.2-162.50112.3Q389 T390 L391 G396 A405 F407Q389-K393 PolarHBondContact O-N 3.09Å; Q389-K393 VanDerWaalsContact O-N 3.09Å; T390-K393 PolarHBondContact O-N 2.9Å; L391-K393 PolarHBondContact O-N 2.68Å; K393-G396 PolarHBondContact O-N 3.15Å; K393-A405 HydrophobicContact CB-CB 4.12Å; K393-A405 HydrophobicContact CD-CB 3.61Å; K393-F407 WeakPolarHBondContact CD-O 3.48Å; K393-F407 WeakPolarHBondContact CE-O 3.5Å; K393-F407 PolarHBondContact NZ-O 2.95Å; K393-F407 PolarHBondContact NZ-OXT 3.07Å
394Y98.3Very high98.5Very high28 Ų2838.8 Ų38.811%0.1120%0.203CC..Hα-helixtrans-59.7-49179.8173.5-101.9000111.4K2 R3 A4 D339 I341 T390 L391 A392K2-Y394 VanDerWaalsContact CA-OH 3.23Å; K2-Y394 WeakPolarHBondContact CA-OH 3.5Å; K2-Y394 HydrophobicContact CB-CE1 3.68Å; K2-Y394 HydrophobicContact CD-CE1 4.48Å; K2-Y394 HydrophobicContact CD-CE2 4.49Å; K2-Y394 WeakPolarHBondContact CD-O 3.23Å; K2-Y394 WeakPolarHBondContact CE-O 3.23Å; K2-Y394 HydrophobicContact CG-CE1 4.34Å; K2-Y394 HydrophobicContact CG-CE2 4.38Å; K2-Y394 PolarHBondContact NZ-O 3Å; R3-Y394 PolarHBondContact N-OH 2.95Å; R3-Y394 PolarHBondContact O-OH 3Å; A4-Y394 HydrophobicContact CB-CE1 4.35Å; D339-Y394 VanDerWaalsContact O-CE2 3.29Å; D339-Y394 WeakPolarHBondContact O-CE2 3.22Å; D339-Y394 VanDerWaalsContact O-CZ 3.31Å; D339-Y394 PolarHBondContact O-OH 2.89Å; I341-Y394 HydrophobicContact CD1-CD1 3.97Å; I341-Y394 HydrophobicContact CD1-CD2 4.02Å; I341-Y394 HydrophobicContact CD1-CE1 4.16Å; I341-Y394 HydrophobicContact CD1-CE2 4.21Å; I341-Y394 HydrophobicContact CD1-CG 3.9Å; I341-Y394 HydrophobicContact CG1-CD1 4.49Å; I341-Y394 HydrophobicContact CG1-CE1 4.17Å; I341-Y394 HydrophobicContact CG1-CE2 4.3Å; I341-Y394 HydrophobicContact CG2-CD2 4.47Å; I341-Y394 HydrophobicContact CG2-CE2 4.01Å; T390-Y394 VanDerWaalsContact O-CB 3.26Å; T390-Y394 WeakPolarHBondContact O-CB 3.07Å; T390-Y394 PolarHBondContact O-N 3.33Å; L391-Y394 WeakPolarHBondContact O-CB 3.38Å; L391-Y394 PolarHBondContact O-N 2.66Å; A392-Y394 PolarHBondContact O-N 2.71Å
395F98.3Very high98.5Very high9 Ų940.4 Ų40.44%0.03922%0.216CC..Hα-helixtrans-81.8-14.4176.8-68.6-70.2000114K2 A4 L246 I297 L391 T397K2-F395 HydrophobicContact CB-CD1 4.12Å; K2-F395 HydrophobicContact CB-CE1 4.04Å; K2-F395 WeakPolarHBondContact O-CE1 3.35Å; A4-F395 HydrophobicContact CB-CE2 3.86Å; A4-F395 HydrophobicContact CB-CZ 3.73Å; L246-F395 HydrophobicContact CD1-CB 3.91Å; L246-F395 HydrophobicContact CD1-CD1 3.69Å; L246-F395 HydrophobicContact CD1-CD2 4.08Å; L246-F395 HydrophobicContact CD1-CE1 4.19Å; L246-F395 HydrophobicContact CD1-CG 3.63Å; L246-F395 HydrophobicContact CD2-CD2 4.46Å; L246-F395 HydrophobicContact CD2-CE1 4.47Å; L246-F395 HydrophobicContact CD2-CE2 4.23Å; L246-F395 HydrophobicContact CD2-CZ 4.23Å; I297-F395 HydrophobicContact CD1-CE2 3.82Å; I297-F395 HydrophobicContact CD1-CZ 4.44Å; I297-F395 HydrophobicContact CG1-CE2 3.63Å; I297-F395 HydrophobicContact CG1-CZ 3.78Å; L391-F395 HydrophobicContact CD2-CE2 4.08Å; L391-F395 VanDerWaalsContact O-CD2 3.29Å; L391-F395 WeakPolarHBondContact O-CD2 3.41Å; L391-F395 PolarHBondContact O-N 3.08Å; F395-T397 HydrophobicContact CB-CG2 4.32Å
396G97.9Very high98.4Very high40 Ų4041.5 Ų41.541%0.41222%0.221SC..THydrogen-bonded Turntrans74.730.3-178.900000113.8K250 A392 K393K250-G396 WeakPolarHBondContact CE-O 3.06Å; K250-G396 PolarHBondContact NZ-O 3.11Å; A392-G396 CarbonylContact O-C 3.56Å; A392-G396 WeakPolarHBondContact O-CA 3.24Å; A392-G396 PolarHBondContact O-N 3.05Å; K393-G396 PolarHBondContact O-N 3.15Å
397T98.6Very high98.1Very high12 Ų1246 Ų467%0.07424%0.241CC..  trans-74.3175.3169.962.50000110.6K245 E249 K250 A392 F395K245-T397 HydrophobicContact CB-CG2 4.14Å; E249-T397 WeakPolarHBondContact OE2-CA 3.39Å; E249-T397 WeakPolarHBondContact OE2-CB 3.21Å; K250-T397 HydrophobicContact CG-CG2 3.84Å; A392-T397 WeakPolarHBondContact CA-OG1 3.32Å; A392-T397 WeakPolarHBondContact CB-OG1 3.4Å; A392-T397 PolarHBondContact O-N 3.1Å; A392-T397 PolarHBondContact O-OG1 2.75Å; F395-T397 HydrophobicContact CB-CG2 4.32Å
398S98.5Very high98.1Very high53 Ų5348.3 Ų48.337%0.37125%0.253SS..PPolyproline II helixtrans-59.4145.9168.868.20000111.1K245 E249K245-S398 WeakPolarHBondContact CD-OG 3.32Å; K245-S398 WeakPolarHBondContact CE-OG 3.42Å; K245-S398 PolarHBondContact NZ-O 3.38Å; K245-S398 PolarHBondContact NZ-OG 3.13Å; E249-S398 WeakPolarHBondContact OE1-CB 3.19Å; E249-S398 PolarHBondContact OE1-OG 3.22Å; E249-S398 PolarHBondContact OE2-N 2.62Å
399D98.5Very high98Very high118 Ų11850.8 Ų50.863%0.63127%0.266SS*.PPolyproline II helixtrans-59.9140.2179.1-72.1-32.9000111.5K245 Q389K245-D399 VanDerWaalsContact NZ-C 3.3Å; K245-D399 PolarHBondContact NZ-O 3.28Å; Q389-D399 PolarHBondContact NE2-OD1 2.74Å
400M98.5Very high98Very high16 Ų1652.7 Ų52.78%0.07928%0.276CS..PPolyproline II helixtrans-67.4152.8166.9-53.1-52.2-63.900109.5A106 V108 P240 V242 K245 Q389 A392 Y402A106-M400 WeakPolarHBondContact O-CE 3.48Å; V108-M400 HydrophobicContact CG2-CE 4.1Å; P240-M400 WeakPolarHBondContact O-CE 3.43Å; V242-M400 HydrophobicContact CB-SD 4.09Å; K245-M400 HydrophobicContact CD-SD 3.69Å; Q389-M400 HydrophobicContact CB-CB 4.46Å; Q389-M400 HydrophobicContact CB-CG 4.44Å; A392-M400 HydrophobicContact CB-CG 4.06Å; A392-M400 HydrophobicContact CB-SD 4.37Å; M400-Y402 VanDerWaalsContact C-N 3.28Å; M400-Y402 WeakPolarHBondContact CB-O 3.37Å
401E97.8Very high97.9Very high157 Ų15755.7 Ų55.773%0.73429%0.292SS*.SBendtrans-70-30.4175.9-174.9176.2172.800111.8
402Y98.2Very high97.9Very high69 Ų6959.1 Ų59.127%0.27131%0.31SS..SBendtrans-115.7154.4-178.7-60.7-89.5000111.6M92 P109 L111 M400M92-Y402 HydrophobicContact CE-CD1 4.33Å; M92-Y402 HydrophobicContact SD-CD1 3.77Å; M92-Y402 HydrophobicContact SD-CE1 4.13Å; P109-Y402 VanDerWaalsContact CD-CD2 3.47Å; P109-Y402 HydrophobicContact CG-CD1 3.72Å; P109-Y402 HydrophobicContact CG-CD2 3.69Å; P109-Y402 HydrophobicContact CG-CE1 4.07Å; P109-Y402 HydrophobicContact CG-CE2 4.07Å; P109-Y402 HydrophobicContact CG-CG 3.52Å; L111-Y402 HydrophobicContact CD1-CE1 4.02Å; L111-Y402 WeakPolarHBondContact CD1-OH 3.47Å; M400-Y402 VanDerWaalsContact C-N 3.28Å; M400-Y402 WeakPolarHBondContact CB-O 3.37Å
403G98Very high97.8Very high27 Ų2763.1 Ų63.128%0.27833%0.331SS..  trans86.4171.1176.900000115.1D386D386-G403 WeakPolarHBondContact OD1-CA 3.38Å
404K98.3Very high97.8Very high149 Ų14959.8 Ų59.865%0.64832%0.32SS*.  trans-135.5127.6-179.5-65.4173.9-173.8164.30108.6R381 D386 M406R381-K404 PolarHBondContact NH2-O 3.39Å; D386-K404 PolarHBondContact OD1-N 3Å; K404-M406 PolarHBondContact O-N 2.89Å
405A98.2Very high97.8Very high33 Ų3362.2 Ų62.227%0.27334%0.336SS..  trans-59.8131.417700000110.7Q389 T390 K393Q389-A405 HydrophobicContact CG-CB 4.26Å; T390-A405 WeakPolarHBondContact OG1-CA 3.48Å; K393-A405 HydrophobicContact CB-CB 4.12Å; K393-A405 HydrophobicContact CD-CB 3.61Å
406M97.9Very high97.7Very high23 Ų2366.7 Ų66.711%0.11336%0.361CS..  trans-78.7-25-175.8-67179.2-77.900113.2V366 L378 R381 D386 I387 T390 K404V366-M406 HydrophobicContact CG1-CE 3.89Å; V366-M406 HydrophobicContact CG1-SD 4.13Å; L378-M406 HydrophobicContact CB-SD 4.44Å; L378-M406 HydrophobicContact CD1-CB 4.06Å; L378-M406 HydrophobicContact CD1-CG 4.45Å; L378-M406 HydrophobicContact CD1-SD 3.76Å; L378-M406 HydrophobicContact CD2-CB 4.33Å; R381-M406 HydrophobicContact CG-SD 4.28Å; D386-M406 HydrophobicContact CB-CG 4.36Å; I387-M406 HydrophobicContact CG1-CE 4.32Å; T390-M406 HydrophobicContact CG2-CE 4.39Å; T390-M406 WeakPolarHBondContact OG1-CE 3.46Å; T390-M406 PolarHBondContact OG1-N 3.39Å; K404-M406 PolarHBondContact O-N 2.89Å
407F92.4Very high97.7Very high103 Ų10369.1 Ų69.145%0.45236%0.357SS..  trans-148.10178.747.5-93.8000112.4V368 T390 K393V368-F407 HydrophobicContact CB-CE1 4.43Å; V368-F407 HydrophobicContact CG1-CE1 3.92Å; V368-F407 HydrophobicContact CG1-CZ 3.91Å; V368-F407 HydrophobicContact CG2-CE1 4.31Å; T390-F407 HydrophobicContact CG2-CD1 4.12Å; T390-F407 HydrophobicContact CG2-CD2 4.26Å; T390-F407 HydrophobicContact CG2-CE1 3.6Å; T390-F407 HydrophobicContact CG2-CE2 3.77Å; T390-F407 HydrophobicContact CG2-CG 4.42Å; T390-F407 HydrophobicContact CG2-CZ 3.4Å; T390-F407 VanDerWaalsContact CG2-CZ 3.4Å; K393-F407 WeakPolarHBondContact CD-O 3.48Å; K393-F407 WeakPolarHBondContact CE-O 3.5Å; K393-F407 PolarHBondContact NZ-O 2.95Å; K393-F407 PolarHBondContact NZ-OXT 3.07Å

Retrieved 407 of 407 residues in 435.4 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).