A0A096NKH8_PAPAN Loading...

Patatin-like phospholipase domain-containing protein 5

Has abundant triacylglycerol lipase activity.

AlphaFold DB , UniProt , Accession A0A096NKH8, Species PAPAN (Papio anubis, Olive baboon), Gene PNPLA5, Length 429 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
1M39.9Very low65.6Low220 Ų22074.5 Ų74.5100%1.08439%0.39SS*.  0110.50-89.5170.4170.200106.8E5M1-E5 WeakPolarHBondContact CA-OE2 3.33Å
2G46.9Very low68.1Low19 Ų1968.3 Ų68.320%0.19636%0.357CS..  trans-65.1142178.400000110.6L4 E5G2-L4 PolarHBondContact O-N 3.07Å; G2-E5 PolarHBondContact N-OE1 3.29Å; G2-E5 PolarHBondContact N-OE2 3.39Å; G2-E5 PolarHBondContact O-N 2.81Å
3F51.4Low70.3Confident56 Ų5663.1 Ų63.125%0.24633%0.33CS..THydrogen-bonded Turntrans-51.4120.6166.6177.8-112.6000108.3P181 I184F3-P181 WeakPolarHBondContact CD2-O 3.46Å; F3-P181 WeakPolarHBondContact CE2-O 3.4Å; F3-I184 HydrophobicContact CZ-CG1 3.99Å
4L61.2Low72.1Confident28 Ų2858.6 Ų58.615%0.14731%0.306CS..THydrogen-bonded Turntrans86.117178-45.8159.9000118.3G2 W10 L38 I184 L256G2-L4 PolarHBondContact O-N 3.07Å; L4-W10 HydrophobicContact CB-CE3 4.04Å; L4-W10 HydrophobicContact CB-CZ3 4.02Å; L4-W10 HydrophobicContact CD2-CB 3.75Å; L4-W10 HydrophobicContact CD2-CD2 3.26Å; L4-W10 HydrophobicContact CD2-CE3 3.5Å; L4-W10 HydrophobicContact CD2-CG 3.36Å; L4-W10 HydrophobicContact CD2-CZ2 4.48Å; L4-W10 HydrophobicContact CD2-CZ3 4.2Å; L4-W10 HydrophobicContact CG-CE3 4.38Å; L4-W10 WeakPolarHBondContact O-CZ3 3.42Å; L4-L38 HydrophobicContact CD1-CD2 3.64Å; L4-L38 HydrophobicContact CD2-CD2 3.82Å; L4-L38 HydrophobicContact CG-CD2 4.18Å; L4-I184 HydrophobicContact CD2-CD1 4.13Å; L4-L256 HydrophobicContact CD1-CD1 3.87Å
5E58.3Low73.6Confident111 Ų11154.7 Ų54.752%0.51929%0.286SS..  trans-79.8-27-178.8-73.5177.3169.600114.8M1 G2 S288M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; G2-E5 PolarHBondContact N-OE1 3.29Å; G2-E5 PolarHBondContact N-OE2 3.39Å; G2-E5 PolarHBondContact O-N 2.81Å; E5-S288 PolarHBondContact OE1-OG 3.15Å
6E68.3Low74.7Confident136 Ų13651.7 Ų51.764%0.63627%0.273SS*.SBendtrans-116.2123.9-177.8-168.3177.5-174.300111G8 S9 W10E6-G8 PolarHBondContact O-N 2.99Å; E6-S9 WeakPolarHBondContact O-CB 3.46Å; E6-S9 PolarHBondContact O-N 3.36Å; E6-S9 PolarHBondContact O-OG 3.44Å; E6-W10 WeakPolarHBondContact O-CZ3 3.38Å
7E66.4Low75.6Confident143 Ų14348.8 Ų48.867%0.66826%0.257SS*.THydrogen-bonded Turntrans-57.1132.4176.5-69.3-175.8173.600110.2
8G65.6Low76.4Confident31 Ų3147.4 Ų47.432%0.3226%0.257SS..THydrogen-bonded Turntrans86.33.6-174.400000114.8E6 G41 R43E6-G8 PolarHBondContact O-N 2.99Å; G8-G41 VanDerWaalsContact CA-O 3.32Å; G8-G41 WeakPolarHBondContact CA-O 3.25Å; G8-G41 PolarHBondContact N-O 3.29Å; G8-R43 WeakPolarHBondContact O-CB 3.34Å; G8-R43 WeakPolarHBondContact O-CD 3.42Å
9S80.2Confident77.2Confident50 Ų5045.2 Ų45.235%0.3525%0.245SC..SBendtrans-86.4-9.3176.765.30000114.6E6 S182E6-S9 WeakPolarHBondContact O-CB 3.46Å; E6-S9 PolarHBondContact O-N 3.36Å; E6-S9 PolarHBondContact O-OG 3.44Å; S9-S182 WeakPolarHBondContact O-CB 3.47Å
10W90.1Very high77.9Confident9 Ų943 Ų433%0.03423%0.233CC..EExtended strand (participates in β ladder)trans-128.8164.5-179.56690.3000114.3L4 E6 R37 L38 R43 S182L4-W10 HydrophobicContact CB-CE3 4.04Å; L4-W10 HydrophobicContact CB-CZ3 4.02Å; L4-W10 HydrophobicContact CD2-CB 3.75Å; L4-W10 HydrophobicContact CD2-CD2 3.26Å; L4-W10 HydrophobicContact CD2-CE3 3.5Å; L4-W10 HydrophobicContact CD2-CG 3.36Å; L4-W10 HydrophobicContact CD2-CZ2 4.48Å; L4-W10 HydrophobicContact CD2-CZ3 4.2Å; L4-W10 HydrophobicContact CG-CE3 4.38Å; L4-W10 WeakPolarHBondContact O-CZ3 3.42Å; E6-W10 WeakPolarHBondContact O-CZ3 3.38Å; W10-R37 WeakPolarHBondContact CZ2-O 3.39Å; W10-L38 HydrophobicContact CZ2-CD2 4.35Å; W10-L38 PolarHBondContact NE1-O 3.17Å; W10-R43 WeakPolarHBondContact O-CB 3.35Å; W10-R43 PolarHBondContact O-N 3.04Å; W10-S182 CarbonylContact C-O 2.89Å; W10-S182 WeakPolarHBondContact CA-O 3.48Å; W10-S182 VanDerWaalsContact CB-O 3.22Å; W10-S182 WeakPolarHBondContact CB-O 3.36Å
11N93.7Very high78.6Confident17 Ų1741.2 Ų41.29%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-123.6163.6175.6-50.5-67.1000111.1R44 Y46 S182 T183 I184N11-R44 CarbonylContact C-O 3.18Å; N11-R44 VanDerWaalsContact CA-O 3.23Å; N11-R44 WeakPolarHBondContact CA-O 3.19Å; N11-R44 WeakPolarHBondContact CB-O 3.36Å; N11-R44 PolarHBondContact OD1-N 3.33Å; N11-Y46 HydrophobicContact CB-CD2 4.08Å; N11-Y46 HydrophobicContact CB-CE2 3.67Å; N11-S182 PolarHBondContact N-O 3.39Å; N11-T183 HydrophobicContact CB-CG2 4.25Å; N11-T183 CarbonylContact O-C 3.56Å; N11-T183 WeakPolarHBondContact O-CA 3.46Å; N11-I184 PolarHBondContact O-N 2.91Å
12L95.3Very high81.2Confident0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-114145.8164.8-77.589.3000109.8F14 L31 L39 A42 R44 I45 Y46 I184L12-F14 HydrophobicContact CB-CE2 4.09Å; L12-F14 HydrophobicContact CD2-CE2 4.28Å; L12-F14 HydrophobicContact CD2-CZ 3.92Å; L12-L31 HydrophobicContact CD2-CD1 4.04Å; L12-L39 HydrophobicContact CD2-CD2 3.64Å; L12-A42 HydrophobicContact CD1-CB 3.35Å; L12-R44 PolarHBondContact N-O 3.21Å; L12-I45 HydrophobicContact CB-CG2 4.37Å; L12-I45 CarbonylContact O-C 3.54Å; L12-I45 WeakPolarHBondContact O-CA 3.48Å; L12-Y46 PolarHBondContact O-N 2.95Å; L12-I184 CarbonylContact C-O 3.51Å; L12-I184 WeakPolarHBondContact CA-O 3.25Å; L12-I184 HydrophobicContact CG-CB 4.47Å
13S95.9Very high83.5Confident0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-135.7125.9175.5-1660000111.1Y46 L175 P176 I184 V186S13-Y46 WeakPolarHBondContact CA-O 3.49Å; S13-L175 WeakPolarHBondContact O-CD1 3.23Å; S13-P176 VanDerWaalsContact CB-O 3.28Å; S13-P176 WeakPolarHBondContact CB-O 3.25Å; S13-P176 WeakPolarHBondContact OG-CD 3.32Å; S13-P176 PolarHBondContact OG-O 3.05Å; S13-I184 PolarHBondContact N-O 3.38Å; S13-V186 PolarHBondContact O-N 3.34Å
14F96.6Very high85.7Confident0 Ų027.3 Ų27.30%015%0.153CC..EExtended strand (participates in β ladder)trans-111.6122.8-177.8-63.5-83.2000111.2L12 H24 I45 Y46 G47 S48 N54 A55 L58 V186L12-F14 HydrophobicContact CB-CE2 4.09Å; L12-F14 HydrophobicContact CD2-CE2 4.28Å; L12-F14 HydrophobicContact CD2-CZ 3.92Å; F14-H24 HydrophobicContact CD1-CB 4Å; F14-H24 AromaticContact CD1-CG 3.93Å; F14-H24 AromaticContact CD1-ND1 3.63Å; F14-H24 HydrophobicContact CE1-CB 4.42Å; F14-I45 HydrophobicContact CD2-CG2 3.91Å; F14-I45 HydrophobicContact CE2-CG2 3.6Å; F14-Y46 PolarHBondContact N-O 2.93Å; F14-G47 VanDerWaalsContact O-CA 3.31Å; F14-G47 WeakPolarHBondContact O-CA 3.18Å; F14-S48 PolarHBondContact O-N 2.89Å; F14-N54 VanDerWaalsContact CE1-ND2 3.27Å; F14-N54 WeakPolarHBondContact CE1-ND2 3.32Å; F14-N54 WeakPolarHBondContact CZ-ND2 3.24Å; F14-A55 HydrophobicContact CD2-CB 4.26Å; F14-L58 HydrophobicContact CE2-CD2 4.44Å; F14-V186 HydrophobicContact CD1-CB 3.65Å; F14-V186 HydrophobicContact CD1-CG1 4.04Å; F14-V186 HydrophobicContact CD1-CG2 3.93Å; F14-V186 HydrophobicContact CE1-CB 3.93Å; F14-V186 HydrophobicContact CE1-CG1 4.18Å; F14-V186 HydrophobicContact CE1-CG2 3.72Å
15A94.5Very high87.3Confident0 Ų026.6 Ų26.60%015%0.15CC..  trans-67.3148.4177.600000112.8H24 N174 L175 V186A15-H24 PolarHBondContact O-CE1 3.48Å; A15-H24 PolarHBondContact O-NE2 3.31Å; A15-N174 WeakPolarHBondContact CA-O 3.3Å; A15-L175 HydrophobicContact CB-CD1 4.12Å; A15-V186 PolarHBondContact N-O 3.17Å
16G91.6Very high89.2Confident7 Ų721.3 Ų21.37%0.07213%0.125CC..  trans-70.1133.416700000111.8S48 N174 F189G16-S48 WeakPolarHBondContact CA-O 3.45Å; G16-S48 PolarHBondContact N-O 3.46Å; G16-S48 PolarHBondContact N-OG 2.89Å; G16-N174 WeakPolarHBondContact CA-OD1 3.47Å; G16-N174 PolarHBondContact N-OD1 3.36Å; G16-N174 PolarHBondContact O-OD1 2.78Å; G16-F189 WeakPolarHBondContact O-CE2 3.42Å
17A89.6Confident90.5Very high2 Ų214.8 Ų14.82%0.01710%0.095CC..  trans-153.216.8-173.800000115.3Y19 L20 S50 P188 F189 S227A17-Y19 PolarHBondContact O-N 2.95Å; A17-L20 HydrophobicContact CB-CB 4Å; A17-L20 WeakPolarHBondContact O-CB 3.32Å; A17-L20 PolarHBondContact O-N 2.9Å; A17-S50 WeakPolarHBondContact CA-OG 3.48Å; A17-S50 PolarHBondContact N-OG 3.34Å; A17-P188 HydrophobicContact CB-CG 3.22Å; A17-F189 HydrophobicContact CB-CE2 3.89Å; A17-F189 HydrophobicContact CB-CZ 4.26Å; A17-S227 VanDerWaalsContact O-CB 3.26Å; A17-S227 WeakPolarHBondContact O-CB 3.43Å
18G90.4Very high91.9Very high25 Ų258.2 Ų8.226%0.2586%0.064SC..G310 helixtrans48.2-125.6179.400000113.7L20 G21 S50 S227G18-L20 PolarHBondContact O-N 3.41Å; G18-G21 PolarHBondContact O-N 2.75Å; G18-S50 PolarHBondContact N-OG 2.78Å; G18-S50 WeakPolarHBondContact O-CB 3.24Å; G18-S50 PolarHBondContact O-OG 2.94Å; G18-S227 WeakPolarHBondContact CA-O 3.4Å
19Y90.4Very high93.4Very high4 Ų46.9 Ų6.92%0.0165%0.05CC..G310 helixtrans-64.7-13.5179.7-74.9-76.3000115A17 G21 L71 M74 V75 Y90 S227 P230A17-Y19 PolarHBondContact O-N 2.95Å; Y19-G21 PolarHBondContact O-N 3.08Å; Y19-L71 WeakPolarHBondContact O-CD2 3.36Å; Y19-M74 HydrophobicContact CD1-CE 3.82Å; Y19-M74 HydrophobicContact CE1-CE 3.2Å; Y19-M74 HydrophobicContact CE1-CG 4.12Å; Y19-M74 HydrophobicContact CE1-SD 4.39Å; Y19-M74 HydrophobicContact CE2-CE 4.44Å; Y19-V75 HydrophobicContact CD1-CG2 3.65Å; Y19-V75 HydrophobicContact CE1-CG2 3.88Å; Y19-Y90 PolarHBondContact OH-OH 2.9Å; Y19-S227 WeakPolarHBondContact CD2-O 3.38Å; Y19-S227 PolarHBondContact N-O 3.21Å; Y19-P230 HydrophobicContact CD1-CB 3.84Å; Y19-P230 HydrophobicContact CD2-CB 4.1Å; Y19-P230 HydrophobicContact CE1-CB 3.72Å; Y19-P230 HydrophobicContact CE1-CG 4.35Å; Y19-P230 HydrophobicContact CE2-CB 4.02Å; Y19-P230 HydrophobicContact CE2-CG 4.11Å; Y19-P230 HydrophobicContact CG-CB 4.02Å
20L91.1Very high94.1Very high1 Ų14.5 Ų4.51%0.0053%0.033CC..G310 helixtrans-79.51.8171-56.2178.4000112.8A17 G18 L22 Y23 P188 F189 L223 I226 N239A17-L20 HydrophobicContact CB-CB 4Å; A17-L20 WeakPolarHBondContact O-CB 3.32Å; A17-L20 PolarHBondContact O-N 2.9Å; G18-L20 PolarHBondContact O-N 3.41Å; L20-L22 PolarHBondContact O-N 2.73Å; L20-Y23 VanDerWaalsContact O-CB 3.26Å; L20-Y23 WeakPolarHBondContact O-CB 3.36Å; L20-Y23 PolarHBondContact O-N 2.77Å; L20-P188 HydrophobicContact CB-CB 4.22Å; L20-P188 HydrophobicContact CB-CG 4.15Å; L20-F189 HydrophobicContact CD1-CE1 4.45Å; L20-L223 HydrophobicContact CD1-CB 4Å; L20-L223 HydrophobicContact CD1-CD2 3.98Å; L20-L223 WeakPolarHBondContact CD1-O 3.29Å; L20-I226 HydrophobicContact CD1-CG1 4.32Å; L20-I226 HydrophobicContact CD2-CD1 3.74Å; L20-I226 HydrophobicContact CD2-CG1 3.95Å; L20-I226 HydrophobicContact CG-CG1 4.44Å; L20-N239 WeakPolarHBondContact CD2-ND2 2.89Å
21G92.4Very high94.3Very high7 Ų74.1 Ų4.17%0.0723%0.032CC..G310 helixtrans-56.3-21.7-177.600000115.3G18 Y19 Y23 H24G18-G21 PolarHBondContact O-N 2.75Å; Y19-G21 PolarHBondContact O-N 3.08Å; G21-Y23 PolarHBondContact O-N 2.56Å; G21-H24 WeakPolarHBondContact O-CB 3.49Å; G21-H24 PolarHBondContact O-N 3.22Å; G21-H24 VanDerWaalsContact O-N 3.12Å
22L94.4Very high94.2Very high1 Ų17.1 Ų7.11%0.0054%0.042CC..Hα-helixtrans-63.8-22.9173.4-83.9-150.1000113.3L20 H24 V25 G26 L71 L72 V236 C240 L318L20-L22 PolarHBondContact O-N 2.73Å; L22-H24 PolarHBondContact O-N 3.35Å; L22-V25 HydrophobicContact CD2-CB 4.19Å; L22-V25 HydrophobicContact CD2-CG2 3.82Å; L22-V25 WeakPolarHBondContact O-CB 3.39Å; L22-V25 PolarHBondContact O-N 3.22Å; L22-V25 VanDerWaalsContact O-N 3.07Å; L22-G26 PolarHBondContact O-N 3.09Å; L22-L71 HydrophobicContact CB-CD2 4.05Å; L22-L71 HydrophobicContact CD2-CB 3.84Å; L22-L71 HydrophobicContact CD2-CD2 3.87Å; L22-L71 HydrophobicContact CD2-CG 4.47Å; L22-L71 HydrophobicContact CG-CB 4.19Å; L22-L71 HydrophobicContact CG-CD2 3.58Å; L22-L71 HydrophobicContact CG-CG 4.39Å; L22-L71 VanDerWaalsContact N-CD2 3.34Å; L22-L72 HydrophobicContact CD1-CD1 3.91Å; L22-L72 HydrophobicContact CD1-CD2 4.35Å; L22-L72 HydrophobicContact CD1-CG 3.93Å; L22-V236 HydrophobicContact CB-CG1 4.03Å; L22-V236 HydrophobicContact CD1-CG1 3.81Å; L22-V236 HydrophobicContact CG-CG1 3.77Å; L22-C240 HydrophobicContact CB-CB 3.93Å; L22-C240 HydrophobicContact CD1-CB 4.13Å; L22-C240 WeakPolarHBondContact O-CA 3.43Å; L22-C240 PolarHBondContact O-SG 3.2Å; L22-L318 HydrophobicContact CD1-CD2 3.88Å
23Y96.3Very high94.1Very high2 Ų29.7 Ų9.71%0.0085%0.053CC..Hα-helixtrans-53.7-43.8171-177.2-88.2000111.6L20 G21 V25 G26 A27 V186 S187 P188 I195 C196 P197 N239 Q242 G243 D246L20-Y23 VanDerWaalsContact O-CB 3.26Å; L20-Y23 WeakPolarHBondContact O-CB 3.36Å; L20-Y23 PolarHBondContact O-N 2.77Å; G21-Y23 PolarHBondContact O-N 2.56Å; Y23-V25 VanDerWaalsContact C-N 3.3Å; Y23-V25 PolarHBondContact O-N 3.25Å; Y23-G26 PolarHBondContact O-N 3.05Å; Y23-A27 WeakPolarHBondContact O-CB 3.13Å; Y23-A27 PolarHBondContact O-N 3.18Å; Y23-V186 HydrophobicContact CD1-CG1 4.35Å; Y23-V186 HydrophobicContact CE1-CG1 4.04Å; Y23-S187 WeakPolarHBondContact CE1-O 3.44Å; Y23-P188 HydrophobicContact CD1-CB 3.87Å; Y23-P188 HydrophobicContact CD2-CB 4.08Å; Y23-P188 HydrophobicContact CG-CB 3.62Å; Y23-I195 HydrophobicContact CE1-CG2 4.47Å; Y23-C196 VanDerWaalsContact OH-C 3.29Å; Y23-C196 WeakPolarHBondContact OH-CA 3.32Å; Y23-P197 HydrophobicContact CE2-CG 3.86Å; Y23-P197 WeakPolarHBondContact OH-CD 3.35Å; Y23-N239 WeakPolarHBondContact CA-O 3.25Å; Y23-N239 WeakPolarHBondContact CD2-O 3.49Å; Y23-Q242 HydrophobicContact CE2-CB 4.47Å; Y23-Q242 HydrophobicContact CE2-CG 4.33Å; Y23-G243 VanDerWaalsContact CD2-CA 3.49Å; Y23-D246 WeakPolarHBondContact CE2-OD2 3.11Å; Y23-D246 WeakPolarHBondContact OH-CB 3.21Å; Y23-D246 VanDerWaalsContact OH-CG 3.3Å; Y23-D246 PolarHBondContact OH-OD2 3.22Å
24H96.8Very high93.9Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-65.3-35.1178-60.1-49000112.5F14 A15 G21 L22 T28 N54 V186F14-H24 HydrophobicContact CD1-CB 4Å; F14-H24 AromaticContact CD1-CG 3.93Å; F14-H24 AromaticContact CD1-ND1 3.63Å; F14-H24 HydrophobicContact CE1-CB 4.42Å; A15-H24 PolarHBondContact O-CE1 3.48Å; A15-H24 PolarHBondContact O-NE2 3.31Å; G21-H24 WeakPolarHBondContact O-CB 3.49Å; G21-H24 PolarHBondContact O-N 3.22Å; G21-H24 VanDerWaalsContact O-N 3.12Å; L22-H24 PolarHBondContact O-N 3.35Å; H24-T28 VanDerWaalsContact O-CB 3.26Å; H24-T28 WeakPolarHBondContact O-CB 3.3Å; H24-T28 PolarHBondContact O-N 3.39Å; H24-T28 PolarHBondContact O-OG1 3.4Å; H24-N54 HydrophobicContact CB-CB 3.78Å; H24-V186 PolarHBondContact CE1-O 2.63Å
25V96.4Very high93.6Very high12 Ų1214.4 Ų14.47%0.0737%0.074CC..Hα-helixtrans-64.7-47.6177.51780000110.1L22 Y23 T28 E29 V64 C67L22-V25 HydrophobicContact CD2-CB 4.19Å; L22-V25 HydrophobicContact CD2-CG2 3.82Å; L22-V25 WeakPolarHBondContact O-CB 3.39Å; L22-V25 PolarHBondContact O-N 3.22Å; L22-V25 VanDerWaalsContact O-N 3.07Å; Y23-V25 VanDerWaalsContact C-N 3.3Å; Y23-V25 PolarHBondContact O-N 3.25Å; V25-T28 PolarHBondContact O-N 3.11Å; V25-E29 WeakPolarHBondContact O-CB 3.28Å; V25-E29 PolarHBondContact O-N 2.92Å; V25-V64 HydrophobicContact CG1-CG2 3.78Å; V25-C67 HydrophobicContact CB-CB 4.38Å; V25-C67 HydrophobicContact CG1-CB 3.77Å; V25-C67 HydrophobicContact CG2-CB 3.62Å
26G96.4Very high93.3Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-63.3-43.5176.500000113L22 Y23 T28 E29 C30 C240 Y244L22-G26 PolarHBondContact O-N 3.09Å; Y23-G26 PolarHBondContact O-N 3.05Å; G26-T28 PolarHBondContact O-N 3.24Å; G26-E29 PolarHBondContact O-N 3.38Å; G26-C30 PolarHBondContact O-N 3.12Å; G26-C240 WeakPolarHBondContact CA-O 3.42Å; G26-C240 PolarHBondContact N-SG 3.42Å; G26-Y244 WeakPolarHBondContact O-CA 3.22Å
27A96.8Very high93.1Very high0 Ų025.7 Ų25.70%012%0.121CC..Hα-helixtrans-60.1-46.8175.100000111.6Y23 E29 C30 L31 V186 I195 G243 A247Y23-A27 WeakPolarHBondContact O-CB 3.13Å; Y23-A27 PolarHBondContact O-N 3.18Å; A27-E29 VanDerWaalsContact C-N 3.32Å; A27-E29 PolarHBondContact O-N 3Å; A27-C30 WeakPolarHBondContact O-CB 3.48Å; A27-C30 PolarHBondContact O-N 3.09Å; A27-L31 WeakPolarHBondContact O-CG 3.41Å; A27-L31 PolarHBondContact O-N 3.36Å; A27-V186 HydrophobicContact CB-CG1 3.93Å; A27-I195 HydrophobicContact CB-CG2 4.22Å; A27-G243 WeakPolarHBondContact CA-O 3.28Å; A27-A247 HydrophobicContact CB-CB 4.06Å
28T96.1Very high93.1Very high4 Ų426 Ų263%0.02512%0.123CC..Hα-helixtrans-63.3-39178.5-56.50000111.6H24 V25 G26 L31 R32 L39 N54 L58H24-T28 VanDerWaalsContact O-CB 3.26Å; H24-T28 WeakPolarHBondContact O-CB 3.3Å; H24-T28 PolarHBondContact O-N 3.39Å; H24-T28 PolarHBondContact O-OG1 3.4Å; V25-T28 PolarHBondContact O-N 3.11Å; G26-T28 PolarHBondContact O-N 3.24Å; T28-L31 PolarHBondContact O-N 3.33Å; T28-R32 WeakPolarHBondContact O-CB 3.36Å; T28-R32 PolarHBondContact O-N 2.68Å; T28-L39 HydrophobicContact CG2-CD1 4.1Å; T28-N54 PolarHBondContact OG1-ND2 2.74Å; T28-L58 HydrophobicContact CG2-CD1 3.85Å; T28-L58 HydrophobicContact CG2-CD2 4.22Å; T28-L58 HydrophobicContact CG2-CG 4.46Å
29E95.9Very high93Very high4 Ų425.5 Ų25.52%0.01911%0.114CC..Hα-helixtrans-66.6-40178-171.355.8-151.600112V25 G26 A27 R32 Q33 V64 L314V25-E29 WeakPolarHBondContact O-CB 3.28Å; V25-E29 PolarHBondContact O-N 2.92Å; G26-E29 PolarHBondContact O-N 3.38Å; A27-E29 VanDerWaalsContact C-N 3.32Å; A27-E29 PolarHBondContact O-N 3Å; E29-R32 PolarHBondContact O-N 2.78Å; E29-R32 IonicContact OE2-CZ 2.78Å; E29-R32 IonicContact OE2-NH1 3.73Å; E29-R32 PolarHBondContact OE2-NH1 3.44Å; E29-Q33 WeakPolarHBondContact O-CB 3.15Å; E29-Q33 WeakPolarHBondContact O-CG 3.44Å; E29-Q33 PolarHBondContact O-N 2.87Å; E29-Q33 WeakPolarHBondContact OE1-CG 3.34Å; E29-Q33 PolarHBondContact OE1-NE2 3.41Å; E29-V64 HydrophobicContact CB-CG2 4.32Å; E29-V64 HydrophobicContact CG-CB 4.45Å; E29-V64 HydrophobicContact CG-CG2 4.17Å; E29-L314 HydrophobicContact CG-CB 4.2Å; E29-L314 HydrophobicContact CG-CD2 4.48Å
30C95.2Very high92.9Very high0 Ų032.1 Ų32.10%015%0.145CC..Hα-helixtrans-59-50172.2-175.60000111.6G26 A27 R32 Q33 R34 Y244 A247 L248G26-C30 PolarHBondContact O-N 3.12Å; A27-C30 WeakPolarHBondContact O-CB 3.48Å; A27-C30 PolarHBondContact O-N 3.09Å; C30-R32 VanDerWaalsContact C-N 3.28Å; C30-R32 PolarHBondContact O-N 3Å; C30-Q33 PolarHBondContact O-N 3.39Å; C30-R34 WeakPolarHBondContact O-CB 3.48Å; C30-R34 PolarHBondContact O-N 3.49Å; C30-Y244 VanDerWaalsContact CA-CE2 3.4Å; C30-Y244 HydrophobicContact CB-CD1 4.28Å; C30-Y244 HydrophobicContact CB-CD2 3.49Å; C30-Y244 VanDerWaalsContact CB-CD2 3.49Å; C30-Y244 HydrophobicContact CB-CE1 4.44Å; C30-Y244 HydrophobicContact CB-CE2 3.68Å; C30-Y244 HydrophobicContact CB-CG 3.81Å; C30-Y244 PolarHBondContact SG-O 2.99Å; C30-A247 HydrophobicContact CB-CB 3.68Å; C30-L248 VanDerWaalsContact SG-CA 3.54Å; C30-L248 PolarHBondContact SG-N 2.82Å
31L94.2Very high92.5Very high1 Ų132.2 Ų32.21%0.00515%0.147CC..Hα-helixtrans-59.4-41.1178.1-64.5177.4000111.2L12 A27 T28 A35 L38 L39 I195 L251L12-L31 HydrophobicContact CD2-CD1 4.04Å; A27-L31 WeakPolarHBondContact O-CG 3.41Å; A27-L31 PolarHBondContact O-N 3.36Å; T28-L31 PolarHBondContact O-N 3.33Å; L31-A35 CarbonylContact O-C 3.59Å; L31-A35 VanDerWaalsContact O-CA 3.31Å; L31-A35 WeakPolarHBondContact O-CA 3.29Å; L31-A35 PolarHBondContact O-N 2.76Å; L31-A35 VanDerWaalsContact O-O 3.12Å; L31-L38 HydrophobicContact CD2-CD1 4.09Å; L31-L39 HydrophobicContact CB-CD1 4Å; L31-L39 HydrophobicContact CB-CD2 3.97Å; L31-L39 HydrophobicContact CB-CG 3.97Å; L31-L39 HydrophobicContact CD1-CD2 3.94Å; L31-I195 HydrophobicContact CD1-CD1 4.24Å; L31-I195 HydrophobicContact CD2-CD1 4.34Å; L31-L251 HydrophobicContact CD2-CD1 4.13Å; L31-L251 HydrophobicContact CD2-CD2 3.75Å; L31-L251 HydrophobicContact CD2-CG 4.02Å
32R92.9Very high92.4Very high80 Ų8032.2 Ų32.230%0.30215%0.146SC..Hα-helixtrans-62.1-45177-177.1-178.6-68.6145-7.5112.3T28 E29 C30 P36 L39 K62T28-R32 WeakPolarHBondContact O-CB 3.36Å; T28-R32 PolarHBondContact O-N 2.68Å; E29-R32 PolarHBondContact O-N 2.78Å; E29-R32 IonicContact OE2-CZ 2.78Å; E29-R32 IonicContact OE2-NH1 3.73Å; E29-R32 PolarHBondContact OE2-NH1 3.44Å; C30-R32 VanDerWaalsContact C-N 3.28Å; C30-R32 PolarHBondContact O-N 3Å; R32-P36 WeakPolarHBondContact O-CB 3.33Å; R32-L39 HydrophobicContact CB-CD1 3.8Å; R32-K62 PolarHBondContact NH2-O 3.25Å
33Q92.1Very high92.3Very high53 Ų5339.6 Ų39.625%0.24817%0.174CC..Hα-helixtrans-77.8-34.6-176.2-69.8-1793.100113.2E29 C30 Y244 S311E29-Q33 WeakPolarHBondContact O-CB 3.15Å; E29-Q33 WeakPolarHBondContact O-CG 3.44Å; E29-Q33 PolarHBondContact O-N 2.87Å; E29-Q33 WeakPolarHBondContact OE1-CG 3.34Å; E29-Q33 PolarHBondContact OE1-NE2 3.41Å; C30-Q33 PolarHBondContact O-N 3.39Å; Q33-Y244 PolarHBondContact OE1-OH 2.99Å; Q33-S311 VanDerWaalsContact CD-OG 3.31Å; Q33-S311 PolarHBondContact NE2-OG 2.99Å; Q33-S311 PolarHBondContact OE1-OG 3.27Å
34R91.1Very high92.2Very high87 Ų8742.3 Ų42.333%0.32818%0.184SC..Hα-helixtrans-106.3-29.4-169.8-60.3-62.3-170.7-100.4-3.3113.7C30 Y244 L248 L251 L310C30-R34 WeakPolarHBondContact O-CB 3.48Å; C30-R34 PolarHBondContact O-N 3.49Å; R34-Y244 PolarHBondContact NH2-OH 2.92Å; R34-L248 HydrophobicContact CG-CD1 4.26Å; R34-L251 HydrophobicContact CB-CD1 3.61Å; R34-L310 PolarHBondContact NH2-O 2.91Å
35A90.4Very high92.2Very high12 Ų1242.5 Ų42.510%0.09919%0.185CC..  trans-144.959.3-178.300000112L31 R37 L38 L251L31-A35 CarbonylContact O-C 3.59Å; L31-A35 VanDerWaalsContact O-CA 3.31Å; L31-A35 WeakPolarHBondContact O-CA 3.29Å; L31-A35 PolarHBondContact O-N 2.76Å; L31-A35 VanDerWaalsContact O-O 3.12Å; A35-R37 PolarHBondContact O-N 3.48Å; A35-L38 HydrophobicContact CB-CD1 3.7Å; A35-L38 HydrophobicContact CB-CG 4Å; A35-L38 WeakPolarHBondContact O-CB 3.3Å; A35-L38 PolarHBondContact O-N 2.93Å; A35-L251 HydrophobicContact CB-CD1 3.96Å; A35-L251 HydrophobicContact CB-CD2 3.68Å; A35-L251 HydrophobicContact CB-CG 4.48Å
36P89.7Confident92.2Very high55 Ų5542.2 Ų42.236%0.35718%0.183SC..Hα-helixtrans-57.2-29.5-172.420.5-32.8000113.6R32 L38 L39 Q40R32-P36 WeakPolarHBondContact O-CB 3.33Å; P36-L38 PolarHBondContact O-N 3.14Å; P36-L39 PolarHBondContact O-N 3.39Å; P36-L39 VanDerWaalsContact O-N 3.11Å; P36-Q40 WeakPolarHBondContact O-CG 3.2Å; P36-Q40 PolarHBondContact O-N 2.97Å
37R87.2Confident92.2Very high189 Ų18942.2 Ų42.271%0.71318%0.183SC*.Hα-helixtrans-57-33.3175.6-68.8-172.3178.6177.9-1.7112.6W10 A35 L39 Q40 G41W10-R37 WeakPolarHBondContact CZ2-O 3.39Å; A35-R37 PolarHBondContact O-N 3.48Å; R37-L39 VanDerWaalsContact C-N 3.3Å; R37-L39 PolarHBondContact O-N 3.37Å; R37-Q40 PolarHBondContact O-N 2.73Å; R37-G41 WeakPolarHBondContact O-CA 3.3Å; R37-G41 PolarHBondContact O-N 2.95Å
38L88.3Confident92.2Very high10 Ų1042.2 Ų42.25%0.05218%0.183CC..Hα-helixtrans-63.7-36.3177.7-68.2179.5000112.7L4 W10 L31 A35 P36 I184 L251 L256L4-L38 HydrophobicContact CD1-CD2 3.64Å; L4-L38 HydrophobicContact CD2-CD2 3.82Å; L4-L38 HydrophobicContact CG-CD2 4.18Å; W10-L38 HydrophobicContact CZ2-CD2 4.35Å; W10-L38 PolarHBondContact NE1-O 3.17Å; L31-L38 HydrophobicContact CD2-CD1 4.09Å; A35-L38 HydrophobicContact CB-CD1 3.7Å; A35-L38 HydrophobicContact CB-CG 4Å; A35-L38 WeakPolarHBondContact O-CB 3.3Å; A35-L38 PolarHBondContact O-N 2.93Å; P36-L38 PolarHBondContact O-N 3.14Å; L38-I184 HydrophobicContact CD2-CD1 4.26Å; L38-L251 HydrophobicContact CD1-CD2 3.5Å; L38-L251 VanDerWaalsContact CD1-CD2 3.5Å; L38-L256 HydrophobicContact CD1-CD1 4.1Å; L38-L256 HydrophobicContact CD2-CD1 4.46Å
39L89.9Confident92.1Very high14 Ų1442.4 Ų42.47%0.07318%0.184CC..Hα-helixtrans-81.7-39.1178.8-59.5-178.8000111.3L12 T28 L31 R32 P36 R37 L58L12-L39 HydrophobicContact CD2-CD2 3.64Å; T28-L39 HydrophobicContact CG2-CD1 4.1Å; L31-L39 HydrophobicContact CB-CD1 4Å; L31-L39 HydrophobicContact CB-CD2 3.97Å; L31-L39 HydrophobicContact CB-CG 3.97Å; L31-L39 HydrophobicContact CD1-CD2 3.94Å; R32-L39 HydrophobicContact CB-CD1 3.8Å; P36-L39 PolarHBondContact O-N 3.39Å; P36-L39 VanDerWaalsContact O-N 3.11Å; R37-L39 VanDerWaalsContact C-N 3.3Å; R37-L39 PolarHBondContact O-N 3.37Å; L39-L58 HydrophobicContact CB-CD1 4.49Å; L39-L58 HydrophobicContact CD1-CD1 4.07Å; L39-L58 HydrophobicContact CD2-CD2 3.97Å
40Q86.9Confident92.1Very high142 Ų14242.6 Ų42.666%0.66419%0.186SC*.Hα-helixtrans-72.4-42.3-178.4-68.9173.4-4.600112.3P36 R37 A42P36-Q40 WeakPolarHBondContact O-CG 3.2Å; P36-Q40 PolarHBondContact O-N 2.97Å; R37-Q40 PolarHBondContact O-N 2.73Å; Q40-A42 VanDerWaalsContact C-N 3.3Å; Q40-A42 PolarHBondContact O-N 2.97Å
41G83.9Confident92.1Very high4 Ų442.6 Ų42.64%0.04119%0.186CC..SBendtrans-831.4179.300000114.3G8 R37 R43G8-G41 VanDerWaalsContact CA-O 3.32Å; G8-G41 WeakPolarHBondContact CA-O 3.25Å; G8-G41 PolarHBondContact N-O 3.29Å; R37-G41 WeakPolarHBondContact O-CA 3.3Å; R37-G41 PolarHBondContact O-N 2.95Å; G41-R43 PolarHBondContact O-N 3.39Å
42A90.3Very high92.3Very high6 Ų642.6 Ų42.65%0.0519%0.186CC..EExtended strand (participates in β ladder)trans-68.7125.1175.300000110.7L12 Q40 I45L12-A42 HydrophobicContact CD1-CB 3.35Å; Q40-A42 VanDerWaalsContact C-N 3.3Å; Q40-A42 PolarHBondContact O-N 2.97Å; A42-I45 HydrophobicContact CB-CG1 4.45Å
43R91.5Very high92.4Very high157 Ų15740 Ų4059%0.59218%0.178SC*.EExtended strand (participates in β ladder)trans-64.1-51.1177-174.2-179.1174.7177.80.3111.1G8 W10 G41G8-R43 WeakPolarHBondContact O-CB 3.34Å; G8-R43 WeakPolarHBondContact O-CD 3.42Å; W10-R43 WeakPolarHBondContact O-CB 3.35Å; W10-R43 PolarHBondContact O-N 3.04Å; G41-R43 PolarHBondContact O-N 3.39Å
44R94.1Very high92.7Very high59 Ų5938 Ų3822%0.22317%0.169CC..EExtended strand (participates in β ladder)trans-137.7150.4178.7-73176.2175171.3-1.2111.5N11 L12 Y46 Q114 R115N11-R44 CarbonylContact C-O 3.18Å; N11-R44 VanDerWaalsContact CA-O 3.23Å; N11-R44 WeakPolarHBondContact CA-O 3.19Å; N11-R44 WeakPolarHBondContact CB-O 3.36Å; N11-R44 PolarHBondContact OD1-N 3.33Å; L12-R44 PolarHBondContact N-O 3.21Å; R44-Y46 HydrophobicContact CB-CE1 4.13Å; R44-Y46 HydrophobicContact CB-CE2 3.82Å; R44-Y46 WeakPolarHBondContact CD-OH 3.38Å; R44-Q114 WeakPolarHBondContact CG-O 3.39Å; R44-Q114 PolarHBondContact NE-O 3.45Å; R44-R115 CarbonylContact C-O 3.53Å; R44-R115 VanDerWaalsContact CA-O 3.25Å; R44-R115 WeakPolarHBondContact CA-O 3.44Å
45I96.7Very high92.9Very high3 Ų333.9 Ų33.92%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-119.9120.1174.7-57161.9000106.9L12 F14 A42 A55 L58 V59 R115 L116 G117L12-I45 HydrophobicContact CB-CG2 4.37Å; L12-I45 CarbonylContact O-C 3.54Å; L12-I45 WeakPolarHBondContact O-CA 3.48Å; F14-I45 HydrophobicContact CD2-CG2 3.91Å; F14-I45 HydrophobicContact CE2-CG2 3.6Å; A42-I45 HydrophobicContact CB-CG1 4.45Å; I45-A55 HydrophobicContact CG2-CB 3.59Å; I45-L58 HydrophobicContact CD1-CB 4.5Å; I45-L58 HydrophobicContact CD1-CD2 3.53Å; I45-L58 HydrophobicContact CD1-CG 3.82Å; I45-L58 HydrophobicContact CG1-CD2 4.31Å; I45-L58 HydrophobicContact CG2-CD2 4.39Å; I45-V59 HydrophobicContact CB-CG2 4.44Å; I45-V59 HydrophobicContact CD1-CG2 3.69Å; I45-R115 PolarHBondContact N-O 3.08Å; I45-L116 CarbonylContact O-C 3.45Å; I45-L116 WeakPolarHBondContact O-CA 3.36Å; I45-G117 PolarHBondContact O-N 2.74Å
46Y96.8Very high93.3Very high7 Ų733.3 Ų33.33%0.02715%0.149CC..EExtended strand (participates in β ladder)trans-106.8152.7-178.6-57.2-74.1000110.9N11 L12 S13 F14 R44 G117 L130 P176 F177N11-Y46 HydrophobicContact CB-CD2 4.08Å; N11-Y46 HydrophobicContact CB-CE2 3.67Å; L12-Y46 PolarHBondContact O-N 2.95Å; S13-Y46 WeakPolarHBondContact CA-O 3.49Å; F14-Y46 PolarHBondContact N-O 2.93Å; R44-Y46 HydrophobicContact CB-CE1 4.13Å; R44-Y46 HydrophobicContact CB-CE2 3.82Å; R44-Y46 WeakPolarHBondContact CD-OH 3.38Å; Y46-G117 CarbonylContact C-O 3.59Å; Y46-G117 VanDerWaalsContact CA-O 3.28Å; Y46-G117 WeakPolarHBondContact CA-O 3.32Å; Y46-L130 HydrophobicContact CD1-CD1 4.27Å; Y46-L130 HydrophobicContact CD1-CD2 4.22Å; Y46-L130 HydrophobicContact CE1-CD2 3.96Å; Y46-P176 HydrophobicContact CG-CB 4.28Å; Y46-F177 HydrophobicContact CD1-CD2 4.16Å; Y46-F177 HydrophobicContact CD1-CE2 4.18Å; Y46-F177 AromaticContact CD2-CD2 3.93Å; Y46-F177 HydrophobicContact CD2-CD2 3.93Å; Y46-F177 AromaticContact CE1-CD2 3.9Å; Y46-F177 HydrophobicContact CE1-CD2 3.9Å; Y46-F177 AromaticContact CE1-CE2 3.62Å; Y46-F177 HydrophobicContact CE1-CE2 3.62Å; Y46-F177 AromaticContact CE2-CD2 3.59Å; Y46-F177 HydrophobicContact CE2-CD2 3.59Å; Y46-F177 HydrophobicContact CE2-CE2 4.06Å; Y46-F177 HydrophobicContact CE2-CG 4.39Å; Y46-F177 HydrophobicContact CG-CD2 4.19Å; Y46-F177 AromaticContact CZ-CD2 3.58Å; Y46-F177 AromaticContact CZ-CE2 3.53Å
47G96.7Very high93.5Very high0 Ų031.5 Ų31.50%014%0.137CC..EExtended strand (participates in β ladder)trans-164.6161.3169.300000113.7F14 G117 S119F14-G47 VanDerWaalsContact O-CA 3.31Å; F14-G47 WeakPolarHBondContact O-CA 3.18Å; G47-G117 PolarHBondContact N-O 2.75Å; G47-S119 PolarHBondContact O-N 2.89Å
48S96Very high93.9Very high0 Ų023.6 Ų23.60%011%0.109CC..  trans-124.8151.2167.668.20000109.3F14 G16 S50 G51 A52 N174F14-S48 PolarHBondContact O-N 2.89Å; G16-S48 WeakPolarHBondContact CA-O 3.45Å; G16-S48 PolarHBondContact N-O 3.46Å; G16-S48 PolarHBondContact N-OG 2.89Å; S48-S50 PolarHBondContact O-N 3.36Å; S48-G51 VanDerWaalsContact O-CA 3.3Å; S48-G51 WeakPolarHBondContact O-CA 3.38Å; S48-G51 PolarHBondContact O-N 2.74Å; S48-A52 PolarHBondContact O-N 3.44Å; S48-N174 WeakPolarHBondContact OG-CA 3.38Å; S48-N174 PolarHBondContact OG-O 2.87Å; S48-N174 PolarHBondContact OG-OD1 3.31Å
49S95.3Very high94.3Very high8 Ų823.7 Ų23.76%0.05611%0.11CC..Hα-helixtrans47.5-129.1176.5-161.30000112.6G51 A52 L53 T147 L148 D168S49-G51 PolarHBondContact O-N 2.92Å; S49-A52 WeakPolarHBondContact O-CB 3.26Å; S49-A52 PolarHBondContact O-N 2.88Å; S49-L53 PolarHBondContact O-N 3.4Å; S49-T147 VanDerWaalsContact CA-O 3.28Å; S49-T147 WeakPolarHBondContact CA-O 3.24Å; S49-T147 PolarHBondContact N-O 2.86Å; S49-T147 PolarHBondContact N-OG1 3.3Å; S49-L148 VanDerWaalsContact C-CD2 3.41Å; S49-D168 WeakPolarHBondContact CB-OD1 3.31Å; S49-D168 VanDerWaalsContact CB-OD2 3.28Å; S49-D168 WeakPolarHBondContact CB-OD2 3.17Å; S49-D168 PolarHBondContact OG-OD2 3.01Å
50S94.7Very high94.5Very high8 Ų823.8 Ų23.86%0.05611%0.112CC..Hα-helixtrans-61.4-24.1176.463.30000114.7A17 G18 S48 A52 L53 N54A17-S50 WeakPolarHBondContact CA-OG 3.48Å; A17-S50 PolarHBondContact N-OG 3.34Å; G18-S50 PolarHBondContact N-OG 2.78Å; G18-S50 WeakPolarHBondContact O-CB 3.24Å; G18-S50 PolarHBondContact O-OG 2.94Å; S48-S50 PolarHBondContact O-N 3.36Å; S50-A52 VanDerWaalsContact C-N 3.34Å; S50-L53 WeakPolarHBondContact O-CB 3.14Å; S50-L53 PolarHBondContact O-N 3.14Å; S50-N54 PolarHBondContact O-N 2.68Å; S50-N54 VanDerWaalsContact O-N 3.15Å
51G96.4Very high94.7Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-65.4-36.2170.100000112.4S48 S49 N54 A55S48-G51 VanDerWaalsContact O-CA 3.3Å; S48-G51 WeakPolarHBondContact O-CA 3.38Å; S48-G51 PolarHBondContact O-N 2.74Å; S49-G51 PolarHBondContact O-N 2.92Å; G51-N54 PolarHBondContact O-N 2.9Å; G51-A55 WeakPolarHBondContact O-CB 3.33Å; G51-A55 PolarHBondContact O-N 2.95Å
52A97.1Very high95.2Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-67.7-35173.900000112.3S48 S49 S50 A55 V56 I118 L144 T147S48-A52 PolarHBondContact O-N 3.44Å; S49-A52 WeakPolarHBondContact O-CB 3.26Å; S49-A52 PolarHBondContact O-N 2.88Å; S50-A52 VanDerWaalsContact C-N 3.34Å; A52-A55 PolarHBondContact O-N 3.28Å; A52-V56 WeakPolarHBondContact O-CG1 3.1Å; A52-V56 PolarHBondContact O-N 3.1Å; A52-I118 HydrophobicContact CB-CG2 4.23Å; A52-L144 HydrophobicContact CB-CD2 4.1Å; A52-T147 HydrophobicContact CB-CG2 3.76Å
53L96.4Very high95.3Very high27 Ų2724.7 Ų24.714%0.14114%0.137CC..Hα-helixtrans-63.3-40.2172.5-72.7177.9000112.2S49 S50 V56 S57 I96 L100 L144 L148S49-L53 PolarHBondContact O-N 3.4Å; S50-L53 WeakPolarHBondContact O-CB 3.14Å; S50-L53 PolarHBondContact O-N 3.14Å; L53-V56 VanDerWaalsContact O-CG1 3.29Å; L53-V56 WeakPolarHBondContact O-CG1 3.43Å; L53-S57 WeakPolarHBondContact O-CB 3.48Å; L53-S57 PolarHBondContact O-N 3.15Å; L53-S57 VanDerWaalsContact O-N 3.13Å; L53-S57 PolarHBondContact O-OG 3.45Å; L53-I96 HydrophobicContact CD2-CG2 4.4Å; L53-L100 HydrophobicContact CD2-CD1 4.21Å; L53-L100 HydrophobicContact CD2-CD2 4.02Å; L53-L144 HydrophobicContact CD2-CD2 4.45Å; L53-L148 HydrophobicContact CD1-CD1 3.8Å; L53-L148 HydrophobicContact CD1-CD2 3.83Å; L53-L148 HydrophobicContact CD1-CG 4.45Å; L53-L148 HydrophobicContact CD2-CD1 3.93Å; L53-L148 HydrophobicContact CG-CD1 3.89Å; L53-L148 HydrophobicContact CG-CD2 4.16Å
54N96.8Very high95.4Very high10 Ų1017.7 Ų17.75%0.05311%0.112CC..Hα-helixtrans-67-44173.6-173.666.9000111.2F14 H24 T28 S50 G51 V56 S57 L58F14-N54 VanDerWaalsContact CE1-ND2 3.27Å; F14-N54 WeakPolarHBondContact CE1-ND2 3.32Å; F14-N54 WeakPolarHBondContact CZ-ND2 3.24Å; H24-N54 HydrophobicContact CB-CB 3.78Å; T28-N54 PolarHBondContact OG1-ND2 2.74Å; S50-N54 PolarHBondContact O-N 2.68Å; S50-N54 VanDerWaalsContact O-N 3.15Å; G51-N54 PolarHBondContact O-N 2.9Å; N54-V56 PolarHBondContact O-N 3.39Å; N54-S57 WeakPolarHBondContact O-CB 3.12Å; N54-S57 PolarHBondContact O-N 2.96Å; N54-L58 WeakPolarHBondContact O-CB 3.49Å; N54-L58 PolarHBondContact O-N 2.9Å
55A96.8Very high95.3Very high0 Ų017.1 Ų17.10%011%0.113CC..Hα-helixtrans-59.6-47.1178.900000112.5F14 I45 G51 A52 S57 L58 V59 L116F14-A55 HydrophobicContact CD2-CB 4.26Å; I45-A55 HydrophobicContact CG2-CB 3.59Å; G51-A55 WeakPolarHBondContact O-CB 3.33Å; G51-A55 PolarHBondContact O-N 2.95Å; A52-A55 PolarHBondContact O-N 3.28Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-S57 PolarHBondContact O-N 3.24Å; A55-L58 PolarHBondContact O-N 2.81Å; A55-V59 WeakPolarHBondContact O-CG2 3.33Å; A55-V59 PolarHBondContact O-N 2.68Å; A55-L116 HydrophobicContact CB-CD1 3.45Å; A55-L116 VanDerWaalsContact CB-CD1 3.45Å
56V96.9Very high95.1Very high1 Ų119.2 Ų19.21%0.00612%0.122CC..Hα-helixtrans-66.1-36.5176.770.60000111.7A52 L53 N54 L58 V59 C60 L104 L116 L140 L144A52-V56 WeakPolarHBondContact O-CG1 3.1Å; A52-V56 PolarHBondContact O-N 3.1Å; L53-V56 VanDerWaalsContact O-CG1 3.29Å; L53-V56 WeakPolarHBondContact O-CG1 3.43Å; N54-V56 PolarHBondContact O-N 3.39Å; V56-L58 VanDerWaalsContact C-N 3.33Å; V56-L58 PolarHBondContact O-N 2.88Å; V56-V59 PolarHBondContact O-N 3.35Å; V56-C60 VanDerWaalsContact O-CB 3.3Å; V56-C60 WeakPolarHBondContact O-CB 3.17Å; V56-C60 PolarHBondContact O-N 3.32Å; V56-C60 PolarHBondContact O-SG 3.36Å; V56-L104 HydrophobicContact CG2-CD2 4.32Å; V56-L116 HydrophobicContact CB-CD2 4.01Å; V56-L116 HydrophobicContact CG2-CD2 4.17Å; V56-L140 HydrophobicContact CG2-CD2 4.13Å; V56-L144 HydrophobicContact CB-CD1 4.37Å; V56-L144 HydrophobicContact CB-CD2 4.42Å; V56-L144 HydrophobicContact CG1-CD1 3.95Å; V56-L144 HydrophobicContact CG1-CD2 4.11Å; V56-L144 HydrophobicContact CG2-CD1 4.25Å
57S95.7Very high94.9Very high16 Ų1619.7 Ų19.711%0.11213%0.126CC..Hα-helixtrans-63.5-40.5176-62.60000111.4L53 N54 A55 G61 K62L53-S57 WeakPolarHBondContact O-CB 3.48Å; L53-S57 PolarHBondContact O-N 3.15Å; L53-S57 VanDerWaalsContact O-N 3.13Å; L53-S57 PolarHBondContact O-OG 3.45Å; N54-S57 WeakPolarHBondContact O-CB 3.12Å; N54-S57 PolarHBondContact O-N 2.96Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-S57 PolarHBondContact O-N 3.24Å; S57-G61 PolarHBondContact O-N 3.48Å; S57-K62 WeakPolarHBondContact O-CB 3.18Å; S57-K62 PolarHBondContact O-N 2.92Å
58L95.3Very high94.8Very high24 Ų2419.7 Ų19.713%0.12613%0.126CC..Hα-helixtrans-65-47.1175178.259000111.7F14 T28 L39 I45 N54 A55 V56 C60 G61F14-L58 HydrophobicContact CE2-CD2 4.44Å; T28-L58 HydrophobicContact CG2-CD1 3.85Å; T28-L58 HydrophobicContact CG2-CD2 4.22Å; T28-L58 HydrophobicContact CG2-CG 4.46Å; L39-L58 HydrophobicContact CB-CD1 4.49Å; L39-L58 HydrophobicContact CD1-CD1 4.07Å; L39-L58 HydrophobicContact CD2-CD2 3.97Å; I45-L58 HydrophobicContact CD1-CB 4.5Å; I45-L58 HydrophobicContact CD1-CD2 3.53Å; I45-L58 HydrophobicContact CD1-CG 3.82Å; I45-L58 HydrophobicContact CG1-CD2 4.31Å; I45-L58 HydrophobicContact CG2-CD2 4.39Å; N54-L58 WeakPolarHBondContact O-CB 3.49Å; N54-L58 PolarHBondContact O-N 2.9Å; A55-L58 PolarHBondContact O-N 2.81Å; V56-L58 VanDerWaalsContact C-N 3.33Å; V56-L58 PolarHBondContact O-N 2.88Å; L58-C60 VanDerWaalsContact C-N 3.34Å; L58-C60 PolarHBondContact O-N 3.01Å; L58-G61 PolarHBondContact O-N 2.97Å; L58-G61 VanDerWaalsContact O-N 3.16Å
59V95.3Very high94.6Very high11 Ų1121.8 Ų21.87%0.06714%0.141CC..Hα-helixtrans-64.2-38.9179.2172.80000112I45 A55 V56 G61 L111 L116I45-V59 HydrophobicContact CB-CG2 4.44Å; I45-V59 HydrophobicContact CD1-CG2 3.69Å; A55-V59 WeakPolarHBondContact O-CG2 3.33Å; A55-V59 PolarHBondContact O-N 2.68Å; V56-V59 PolarHBondContact O-N 3.35Å; V59-G61 PolarHBondContact O-N 3.34Å; V59-L111 HydrophobicContact CG1-CB 4.13Å; V59-L111 WeakPolarHBondContact CG1-O 3.06Å; V59-L116 HydrophobicContact CG2-CB 4.45Å; V59-L116 HydrophobicContact CG2-CD1 4.47Å
60C94.6Very high94.4Very high17 Ų1722.7 Ų22.712%0.11515%0.145CC..THydrogen-bonded Turntrans-826.8177.5-62.30000113.6V56 L58 K62 P105V56-C60 VanDerWaalsContact O-CB 3.3Å; V56-C60 WeakPolarHBondContact O-CB 3.17Å; V56-C60 PolarHBondContact O-N 3.32Å; V56-C60 PolarHBondContact O-SG 3.36Å; L58-C60 VanDerWaalsContact C-N 3.34Å; L58-C60 PolarHBondContact O-N 3.01Å; C60-K62 VanDerWaalsContact C-N 3.32Å; C60-K62 HydrophobicContact CB-CG 4.27Å; C60-K62 PolarHBondContact O-N 3.47Å; C60-P105 HydrophobicContact CB-CG 4.41Å
61G92.6Very high94.2Very high64 Ų6423.3 Ų23.366%0.6615%0.147SC*.THydrogen-bonded Turntrans62.932.2177.500000114.5S57 L58 V59S57-G61 PolarHBondContact O-N 3.48Å; L58-G61 PolarHBondContact O-N 2.97Å; L58-G61 VanDerWaalsContact O-N 3.16Å; V59-G61 PolarHBondContact O-N 3.34Å
62K93.8Very high94Very high42 Ų4223.3 Ų23.318%0.18315%0.147CC..  trans-73145.3178.8-62-59.3-171.5-177.50111.8R32 S57 C60 F66 T103R32-K62 PolarHBondContact NH2-O 3.25Å; S57-K62 WeakPolarHBondContact O-CB 3.18Å; S57-K62 PolarHBondContact O-N 2.92Å; C60-K62 VanDerWaalsContact C-N 3.32Å; C60-K62 HydrophobicContact CB-CG 4.27Å; C60-K62 PolarHBondContact O-N 3.47Å; K62-F66 HydrophobicContact CB-CD1 3.62Å; K62-F66 HydrophobicContact CB-CE1 4.2Å; K62-F66 HydrophobicContact CB-CG 4.25Å; K62-F66 HydrophobicContact CD-CD1 4.12Å; K62-F66 HydrophobicContact CD-CE1 4.2Å; K62-F66 HydrophobicContact CD-CG 4.39Å; K62-F66 HydrophobicContact CG-CD1 3.83Å; K62-F66 HydrophobicContact CG-CE1 3.92Å; K62-T103 WeakPolarHBondContact CE-O 3.14Å; K62-T103 PolarHBondContact NZ-O 3.42Å
63S92.9Very high93.8Very high64 Ų6424.5 Ų24.545%0.44816%0.159SC..  trans-73.9159.1179.565.90000112.3D65 F66 C67S63-D65 VanDerWaalsContact C-N 3.29Å; S63-D65 PolarHBondContact O-N 2.85Å; S63-F66 WeakPolarHBondContact O-CB 3.36Å; S63-F66 PolarHBondContact O-N 3.24Å; S63-F66 WeakPolarHBondContact OG-CB 3.43Å; S63-F66 PolarHBondContact OG-N 3.29Å; S63-C67 PolarHBondContact O-N 3.4Å; S63-C67 PolarHBondContact O-SG 3.02Å
64V92.6Very high93.4Very high11 Ų1124 Ų247%0.06716%0.157CC..Hα-helixtrans-60.3-39.417366.60000112.1V25 E29 F66 C67 C68 L314 A317V25-V64 HydrophobicContact CG1-CG2 3.78Å; E29-V64 HydrophobicContact CB-CG2 4.32Å; E29-V64 HydrophobicContact CG-CB 4.45Å; E29-V64 HydrophobicContact CG-CG2 4.17Å; V64-F66 VanDerWaalsContact C-N 3.3Å; V64-F66 PolarHBondContact O-N 2.59Å; V64-C67 PolarHBondContact O-N 3.3Å; V64-C68 WeakPolarHBondContact O-CB 3.26Å; V64-C68 PolarHBondContact O-N 2.92Å; V64-C68 PolarHBondContact O-SG 3.23Å; V64-C68 VanDerWaalsContact O-SG 3.36Å; V64-L314 HydrophobicContact CG2-CD1 3.48Å; V64-L314 VanDerWaalsContact CG2-CD1 3.48Å; V64-A317 HydrophobicContact CG1-CB 4.16Å
65D92.9Very high93.1Very high46 Ų4623.6 Ų23.625%0.24615%0.154CC..Hα-helixtrans-57.3-41.8174.9178.973000112.3S63 S69 A317 K320S63-D65 VanDerWaalsContact C-N 3.29Å; S63-D65 PolarHBondContact O-N 2.85Å; D65-S69 WeakPolarHBondContact O-CB 3.33Å; D65-S69 PolarHBondContact O-N 3.47Å; D65-S69 PolarHBondContact O-OG 2.97Å; D65-A317 HydrophobicContact CB-CB 4.13Å; D65-K320 WeakPolarHBondContact OD1-CD 3.36Å; D65-K320 IonicContact OD1-NZ 2.97Å; D65-K320 PolarHBondContact OD1-NZ 2.69Å; D65-K320 IonicContact OD2-NZ 3.55Å; D65-K320 PolarHBondContact OD2-NZ 2.91Å
66F92.3Very high92.8Very high47 Ų4725.6 Ų25.621%0.20616%0.163CC..Hα-helixtrans-61.6-51.7176.2173.5-93.4000111.2K62 S63 V64 C68 S69 H70 T103K62-F66 HydrophobicContact CB-CD1 3.62Å; K62-F66 HydrophobicContact CB-CE1 4.2Å; K62-F66 HydrophobicContact CB-CG 4.25Å; K62-F66 HydrophobicContact CD-CD1 4.12Å; K62-F66 HydrophobicContact CD-CE1 4.2Å; K62-F66 HydrophobicContact CD-CG 4.39Å; K62-F66 HydrophobicContact CG-CD1 3.83Å; K62-F66 HydrophobicContact CG-CE1 3.92Å; S63-F66 WeakPolarHBondContact O-CB 3.36Å; S63-F66 PolarHBondContact O-N 3.24Å; S63-F66 WeakPolarHBondContact OG-CB 3.43Å; S63-F66 PolarHBondContact OG-N 3.29Å; V64-F66 VanDerWaalsContact C-N 3.3Å; V64-F66 PolarHBondContact O-N 2.59Å; F66-C68 PolarHBondContact O-N 3.44Å; F66-S69 PolarHBondContact O-N 2.99Å; F66-H70 WeakPolarHBondContact O-CB 3.47Å; F66-H70 PolarHBondContact O-N 2.85Å; F66-T103 VanDerWaalsContact CE2-CB 3.46Å; F66-T103 HydrophobicContact CE2-CG2 3.56Å; F66-T103 HydrophobicContact CZ-CG2 3.96Å; F66-T103 WeakPolarHBondContact CZ-OG1 3.24Å
67C92.9Very high92.3Very high17 Ų1729.9 Ų29.912%0.11518%0.183CC..Hα-helixtrans-63-44.3-178.7-61.80000112.1V25 S63 V64 H70 L71V25-C67 HydrophobicContact CB-CB 4.38Å; V25-C67 HydrophobicContact CG1-CB 3.77Å; V25-C67 HydrophobicContact CG2-CB 3.62Å; S63-C67 PolarHBondContact O-N 3.4Å; S63-C67 PolarHBondContact O-SG 3.02Å; V64-C67 PolarHBondContact O-N 3.3Å; C67-H70 PolarHBondContact O-N 3.48Å; C67-L71 PolarHBondContact O-N 3.22Å
68C93.3Very high91.9Very high0 Ų029.2 Ų29.20%018%0.178CC..Hα-helixtrans-61.5-47.8176.5-71.60000111.9V64 F66 H70 L72 A317 L318 A321V64-C68 WeakPolarHBondContact O-CB 3.26Å; V64-C68 PolarHBondContact O-N 2.92Å; V64-C68 PolarHBondContact O-SG 3.23Å; V64-C68 VanDerWaalsContact O-SG 3.36Å; F66-C68 PolarHBondContact O-N 3.44Å; C68-H70 VanDerWaalsContact C-N 3.3Å; C68-H70 PolarHBondContact O-N 3.49Å; C68-L72 VanDerWaalsContact O-CB 3.29Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 PolarHBondContact O-N 3.4Å; C68-A317 HydrophobicContact CB-CB 4.39Å; C68-L318 HydrophobicContact CB-CD2 4.47Å; C68-A321 HydrophobicContact CB-CB 4.04Å
69S92.3Very high91.5Very high44 Ų4432.1 Ų32.131%0.30819%0.191SC..Hα-helixtrans-63.2-36.6-179.1-64.10000112.3D65 F66 G73D65-S69 WeakPolarHBondContact O-CB 3.33Å; D65-S69 PolarHBondContact O-N 3.47Å; D65-S69 PolarHBondContact O-OG 2.97Å; F66-S69 PolarHBondContact O-N 2.99Å; S69-G73 VanDerWaalsContact O-CA 3.28Å; S69-G73 WeakPolarHBondContact O-CA 3.48Å; S69-G73 PolarHBondContact O-N 3.26Å
70H91.2Very high91Very high28 Ų2839.8 Ų39.813%0.1322%0.219CC..Hα-helixtrans-69.5-51.5-178.8-172.360.6000112.1F66 C67 C68 G73 M74 Q99F66-H70 WeakPolarHBondContact O-CB 3.47Å; F66-H70 PolarHBondContact O-N 2.85Å; C67-H70 PolarHBondContact O-N 3.48Å; C68-H70 VanDerWaalsContact C-N 3.3Å; C68-H70 PolarHBondContact O-N 3.49Å; H70-G73 PolarHBondContact O-N 2.84Å; H70-M74 PolarHBondContact O-N 2.72Å; H70-M74 VanDerWaalsContact O-N 3.13Å; H70-Q99 WeakPolarHBondContact CE1-CB 3.46Å; H70-Q99 VanDerWaalsContact CE1-CG 3.48Å; H70-Q99 WeakPolarHBondContact CE1-CG 3.39Å; H70-Q99 PolarHBondContact ND1-OE1 3.11Å
71L91.2Very high90.5Very high21 Ų2141.2 Ų41.211%0.1123%0.225CC..Hα-helixtrans-70.4-44.8-179.2-165.967.4000112.3Y19 L22 C67 G73 M74 V75 V236Y19-L71 WeakPolarHBondContact O-CD2 3.36Å; L22-L71 HydrophobicContact CB-CD2 4.05Å; L22-L71 HydrophobicContact CD2-CB 3.84Å; L22-L71 HydrophobicContact CD2-CD2 3.87Å; L22-L71 HydrophobicContact CD2-CG 4.47Å; L22-L71 HydrophobicContact CG-CB 4.19Å; L22-L71 HydrophobicContact CG-CD2 3.58Å; L22-L71 HydrophobicContact CG-CG 4.39Å; L22-L71 VanDerWaalsContact N-CD2 3.34Å; C67-L71 PolarHBondContact O-N 3.22Å; L71-G73 VanDerWaalsContact C-N 3.28Å; L71-G73 PolarHBondContact O-N 3.06Å; L71-M74 HydrophobicContact CD1-CE 3.83Å; L71-M74 WeakPolarHBondContact O-CB 3.46Å; L71-M74 PolarHBondContact O-N 3.45Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.29Å; L71-V75 VanDerWaalsContact O-N 3.09Å; L71-V236 HydrophobicContact CD2-CG1 4.21Å
72L92.3Very high89.9Confident0 Ų038.9 Ų38.90%020%0.199CC..Hα-helixtrans-69.4-28.9177.7-69.2165.4000111.7L22 C68 V75 K76 L233 V236 L318 A321L22-L72 HydrophobicContact CD1-CD1 3.91Å; L22-L72 HydrophobicContact CD1-CD2 4.35Å; L22-L72 HydrophobicContact CD1-CG 3.93Å; C68-L72 VanDerWaalsContact O-CB 3.29Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 PolarHBondContact O-N 3.4Å; L72-V75 PolarHBondContact O-N 3.15Å; L72-K76 WeakPolarHBondContact O-CG 3.24Å; L72-K76 PolarHBondContact O-N 3.16Å; L72-L233 HydrophobicContact CB-CD2 4.18Å; L72-L233 HydrophobicContact CD2-CB 4.28Å; L72-L233 HydrophobicContact CD2-CD2 3.64Å; L72-V236 HydrophobicContact CD2-CB 3.87Å; L72-V236 HydrophobicContact CD2-CG1 3.85Å; L72-L318 HydrophobicContact CD1-CD2 4.23Å; L72-A321 HydrophobicContact CB-CB 4.17Å; L72-A321 HydrophobicContact CD1-CB 3.43Å; L72-A321 VanDerWaalsContact CD1-CB 3.43Å; L72-A321 HydrophobicContact CG-CB 4.41Å
73G91.1Very high89.3Confident25 Ų2540 Ų4026%0.25821%0.206SC..Hα-helixtrans-59.9-45.2169.800000111.9S69 H70 L71 K76 Q77S69-G73 VanDerWaalsContact O-CA 3.28Å; S69-G73 WeakPolarHBondContact O-CA 3.48Å; S69-G73 PolarHBondContact O-N 3.26Å; H70-G73 PolarHBondContact O-N 2.84Å; L71-G73 VanDerWaalsContact C-N 3.28Å; L71-G73 PolarHBondContact O-N 3.06Å; G73-K76 PolarHBondContact O-N 3.39Å; G73-Q77 WeakPolarHBondContact O-CG 3.35Å; G73-Q77 PolarHBondContact O-N 3.13Å
74M89.2Confident88.9Confident17 Ų1739 Ų398%0.08420%0.199CC..Hα-helixtrans-62.1-44.7174.7-172169.276.200111.8Y19 H70 L71 K76 Q77 V78 I96Y19-M74 HydrophobicContact CD1-CE 3.82Å; Y19-M74 HydrophobicContact CE1-CE 3.2Å; Y19-M74 HydrophobicContact CE1-CG 4.12Å; Y19-M74 HydrophobicContact CE1-SD 4.39Å; Y19-M74 HydrophobicContact CE2-CE 4.44Å; H70-M74 PolarHBondContact O-N 2.72Å; H70-M74 VanDerWaalsContact O-N 3.13Å; L71-M74 HydrophobicContact CD1-CE 3.83Å; L71-M74 WeakPolarHBondContact O-CB 3.46Å; L71-M74 PolarHBondContact O-N 3.45Å; M74-K76 PolarHBondContact O-N 3.31Å; M74-Q77 WeakPolarHBondContact O-CB 3.43Å; M74-Q77 PolarHBondContact O-N 3.06Å; M74-Q77 VanDerWaalsContact O-N 3.11Å; M74-V78 WeakPolarHBondContact O-CG2 3.31Å; M74-V78 PolarHBondContact O-N 3.44Å; M74-I96 HydrophobicContact SD-CD1 3.94Å; M74-I96 HydrophobicContact SD-CG1 3.98Å
75V90.6Very high88.6Confident0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-58.1-46.4175.7176.70000111.1Y19 L71 L72 Q77 V78 E79 P230 P231 L233 V236Y19-V75 HydrophobicContact CD1-CG2 3.65Å; Y19-V75 HydrophobicContact CE1-CG2 3.88Å; L71-V75 WeakPolarHBondContact O-CG2 3.4Å; L71-V75 PolarHBondContact O-N 3.29Å; L71-V75 VanDerWaalsContact O-N 3.09Å; L72-V75 PolarHBondContact O-N 3.15Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 3.49Å; V75-V78 PolarHBondContact O-N 3.41Å; V75-E79 HydrophobicContact CG1-CG 4.46Å; V75-E79 WeakPolarHBondContact O-CG 3.44Å; V75-E79 PolarHBondContact O-N 3.34Å; V75-P230 HydrophobicContact CG1-CB 4.26Å; V75-P230 HydrophobicContact CG2-CB 4.26Å; V75-P231 WeakPolarHBondContact CG1-O 3.27Å; V75-L233 HydrophobicContact CB-CD2 3.73Å; V75-L233 HydrophobicContact CG1-CD2 3.49Å; V75-L233 VanDerWaalsContact CG1-CD2 3.49Å; V75-L233 HydrophobicContact CG1-CG 4.19Å; V75-V236 HydrophobicContact CG2-CG2 4.24Å
76K90Very high88.2Confident43 Ų4344.7 Ų44.719%0.18723%0.228CC..Hα-helixtrans-60.8-35.6175.7-73.8176.8-170.5173.20113L72 G73 M74 R80 L233 A321 T323L72-K76 WeakPolarHBondContact O-CG 3.24Å; L72-K76 PolarHBondContact O-N 3.16Å; G73-K76 PolarHBondContact O-N 3.39Å; M74-K76 PolarHBondContact O-N 3.31Å; K76-R80 VanDerWaalsContact O-CG 3.31Å; K76-R80 WeakPolarHBondContact O-CG 3.21Å; K76-R80 PolarHBondContact O-N 2.83Å; K76-L233 HydrophobicContact CG-CD1 3.85Å; K76-L233 HydrophobicContact CG-CD2 3.87Å; K76-L233 HydrophobicContact CG-CG 4.47Å; K76-A321 WeakPolarHBondContact CE-O 3.37Å; K76-A321 PolarHBondContact NZ-O 2.93Å; K76-T323 PolarHBondContact NZ-O 3.36Å
77Q87.5Confident87.8Confident91 Ų9142.9 Ų42.943%0.42522%0.221SC..Hα-helixtrans-66.7-43176.2-74.1-170.7-4.900111G73 M74 V75 R80 H95G73-Q77 WeakPolarHBondContact O-CG 3.35Å; G73-Q77 PolarHBondContact O-N 3.13Å; M74-Q77 WeakPolarHBondContact O-CB 3.43Å; M74-Q77 PolarHBondContact O-N 3.06Å; M74-Q77 VanDerWaalsContact O-N 3.11Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 3.49Å; Q77-R80 WeakPolarHBondContact O-CB 3.35Å; Q77-R80 PolarHBondContact O-N 2.91Å; Q77-H95 VanDerWaalsContact CD-CE1 3.48Å; Q77-H95 PolarHBondContact NE2-CE1 3.43Å; Q77-H95 VanDerWaalsContact NE2-CE1 3.28Å; Q77-H95 PolarHBondContact OE1-CE1 3.37Å; Q77-H95 PolarHBondContact OE1-ND1 2.8Å; Q77-H95 VanDerWaalsContact OE1-ND1 3.15Å; Q77-H95 PolarHBondContact OE1-NE2 3.43Å
78V87.3Confident87.4Confident2 Ų243 Ų431%0.01222%0.221CC..Hα-helixtrans-66.5-39.9176.8-1770000111.9M74 V75 R80 L81 S84 I85 Y90 P230M74-V78 WeakPolarHBondContact O-CG2 3.31Å; M74-V78 PolarHBondContact O-N 3.44Å; V75-V78 PolarHBondContact O-N 3.41Å; V78-R80 PolarHBondContact O-N 2.97Å; V78-R80 VanDerWaalsContact O-N 3.14Å; V78-L81 PolarHBondContact O-N 3.43Å; V78-S84 VanDerWaalsContact CG1-OG 3.3Å; V78-S84 WeakPolarHBondContact CG1-OG 3.42Å; V78-I85 HydrophobicContact CG1-CG2 3.97Å; V78-Y90 HydrophobicContact CG2-CD2 3.81Å; V78-Y90 HydrophobicContact CG2-CE2 3.39Å; V78-P230 HydrophobicContact CB-CG 3.93Å; V78-P230 HydrophobicContact CG1-CG 3.58Å; V78-P230 HydrophobicContact CG2-CG 4.35Å
79E85.3Confident87Confident85 Ų8544.1 Ų44.140%0.39723%0.23SC..Hα-helixtrans-59-23.6174.5-75.3-173.3163.700113.1V75 R324V75-E79 HydrophobicContact CG1-CG 4.46Å; V75-E79 WeakPolarHBondContact O-CG 3.44Å; V75-E79 PolarHBondContact O-N 3.34Å; E79-R324 IonicContact OE1-NH2 2.74Å; E79-R324 IonicContact OE2-NE 3.74Å; E79-R324 IonicContact OE2-NH2 2.82Å
80R84.4Confident86.7Confident172 Ų17243 Ų4365%0.64922%0.219SC*.THydrogen-bonded Turntrans-83.8-16.9177.5-72.1169.8177.3-169.7-5.1113.4K76 Q77 V78 D325K76-R80 VanDerWaalsContact O-CG 3.31Å; K76-R80 WeakPolarHBondContact O-CG 3.21Å; K76-R80 PolarHBondContact O-N 2.83Å; Q77-R80 WeakPolarHBondContact O-CB 3.35Å; Q77-R80 PolarHBondContact O-N 2.91Å; V78-R80 PolarHBondContact O-N 2.97Å; V78-R80 VanDerWaalsContact O-N 3.14Å; R80-D325 IonicContact NH2-OD2 3.84Å
81L85.4Confident86.5Confident46 Ų4642.5 Ų42.524%0.24122%0.22CC..SBendtrans-82.2133.7179.9-59.9179.2000110V78 S84 H87 A89 Y90V78-L81 PolarHBondContact O-N 3.43Å; L81-S84 PolarHBondContact O-N 3.43Å; L81-H87 HydrophobicContact CB-CB 3.8Å; L81-H87 HydrophobicContact CD1-CB 4.06Å; L81-H87 HydrophobicContact CG-CB 4.4Å; L81-A89 HydrophobicContact CD2-CB 4.06Å; L81-Y90 HydrophobicContact CD1-CD2 4.25Å
82S79.6Confident86.3Confident16 Ų1641.8 Ų41.811%0.11222%0.217CC..THydrogen-bonded Turntrans-62.1139.7167.458.60000108.5S84 H87 L346S82-S84 PolarHBondContact O-N 3.02Å; S82-S84 VanDerWaalsContact O-N 3.14Å; S82-H87 VanDerWaalsContact O-CB 3.24Å; S82-H87 WeakPolarHBondContact O-CB 3.33Å; S82-H87 PolarHBondContact O-CD2 2.62Å; S82-H87 PolarHBondContact OG-CD2 2.81Å; S82-H87 PolarHBondContact OG-NE2 2.91Å; S82-L346 VanDerWaalsContact OG-CD1 3.31Å; S82-L346 WeakPolarHBondContact OG-CD1 3.31Å
83L81.8Confident86.2Confident65 Ų6542.9 Ų42.934%0.3422%0.223SC..THydrogen-bonded Turntrans62.513.3-174.8-47.1175.1000116.1I85 L86 Y343 L346 L350L83-I85 PolarHBondContact O-N 3.06Å; L83-L86 HydrophobicContact CB-CB 4.2Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.47Å; L83-L86 VanDerWaalsContact O-N 3.1Å; L83-Y343 HydrophobicContact CD2-CE1 4.29Å; L83-L346 HydrophobicContact CD1-CD2 4.06Å; L83-L346 HydrophobicContact CD2-CD2 3.84Å; L83-L346 HydrophobicContact CG-CD2 3.91Å; L83-L350 HydrophobicContact CD1-CD1 4.32Å; L83-L350 HydrophobicContact CD1-CD2 4.08Å
84S84.9Confident86.1Confident43 Ų4344.6 Ų44.630%0.30122%0.224SC..G310 helixtrans54.5-128.3173.7-176.60000112V78 L81 S82 L86 H87V78-S84 VanDerWaalsContact CG1-OG 3.3Å; V78-S84 WeakPolarHBondContact CG1-OG 3.42Å; L81-S84 PolarHBondContact O-N 3.43Å; S82-S84 PolarHBondContact O-N 3.02Å; S82-S84 VanDerWaalsContact O-N 3.14Å; S84-L86 PolarHBondContact O-N 2.79Å; S84-L86 VanDerWaalsContact O-N 3.16Å; S84-H87 VanDerWaalsContact O-CB 3.24Å; S84-H87 WeakPolarHBondContact O-CB 3.43Å; S84-H87 PolarHBondContact O-N 3.13Å; S84-H87 VanDerWaalsContact O-N 3.13Å
85I85.2Confident86.2Confident35 Ų3545.3 Ų45.318%0.17923%0.227CC..G310 helixtrans-63.4-17-179.261.7164.6000114.4V78 L83 H87 Y90 Y153 I229 P230V78-I85 HydrophobicContact CG1-CG2 3.97Å; L83-I85 PolarHBondContact O-N 3.06Å; I85-H87 VanDerWaalsContact C-N 3.26Å; I85-Y90 HydrophobicContact CB-CD1 3.9Å; I85-Y90 HydrophobicContact CB-CE1 3.8Å; I85-Y90 HydrophobicContact CG2-CD1 4.28Å; I85-Y90 HydrophobicContact CG2-CE1 3.8Å; I85-Y90 HydrophobicContact CG2-CE2 4.45Å; I85-Y90 WeakPolarHBondContact O-CD1 3.36Å; I85-Y153 HydrophobicContact CD1-CE2 3.99Å; I85-I229 HydrophobicContact CD1-CD1 4.06Å; I85-I229 HydrophobicContact CD1-CG1 3.86Å; I85-P230 HydrophobicContact CG2-CG 4.19Å
86L83.6Confident86.2Confident141 Ų14145.9 Ų45.974%0.73823%0.23SC*.G310 helixtrans-82-8.5178.3-58.5178.7000112.3L83 S84L83-L86 HydrophobicContact CB-CB 4.2Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.47Å; L83-L86 VanDerWaalsContact O-N 3.1Å; S84-L86 PolarHBondContact O-N 2.79Å; S84-L86 VanDerWaalsContact O-N 3.16Å
87H84.9Confident86.4Confident10 Ų1047.3 Ų47.35%0.04624%0.236CC..SBendtrans-65.1137.5-179.5-164-97.4000111.8L81 S82 S84 I85 A89 Y90 E353L81-H87 HydrophobicContact CB-CB 3.8Å; L81-H87 HydrophobicContact CD1-CB 4.06Å; L81-H87 HydrophobicContact CG-CB 4.4Å; S82-H87 VanDerWaalsContact O-CB 3.24Å; S82-H87 WeakPolarHBondContact O-CB 3.33Å; S82-H87 PolarHBondContact O-CD2 2.62Å; S82-H87 PolarHBondContact OG-CD2 2.81Å; S82-H87 PolarHBondContact OG-NE2 2.91Å; S84-H87 VanDerWaalsContact O-CB 3.24Å; S84-H87 WeakPolarHBondContact O-CB 3.43Å; S84-H87 PolarHBondContact O-N 3.13Å; S84-H87 VanDerWaalsContact O-N 3.13Å; I85-H87 VanDerWaalsContact C-N 3.26Å; H87-A89 WeakPolarHBondContact ND1-CB 3.29Å; H87-A89 PolarHBondContact ND1-N 3.18Å; H87-A89 PolarHBondContact O-N 2.83Å; H87-A89 VanDerWaalsContact O-N 3.1Å; H87-Y90 VanDerWaalsContact O-CB 3.24Å; H87-Y90 WeakPolarHBondContact O-CB 3.46Å; H87-Y90 PolarHBondContact O-N 2.88Å; H87-E353 IonicContact CE1-OE2 2.92Å; H87-E353 IonicContact NE2-OE2 3.52Å; H87-E353 PolarHBondContact NE2-OE2 2.77Å; H87-E353 VanDerWaalsContact NE2-OE2 3.09Å
88P83.4Confident86.7Confident19 Ų1948.5 Ų48.512%0.12324%0.237CC..THydrogen-bonded Turntrans-63.2-20.6179.525.1-35.2000114Y90 L350 E353 Y354 F357 R361P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-L350 HydrophobicContact CG-CD1 4.31Å; P88-E353 HydrophobicContact CG-CB 4.46Å; P88-Y354 HydrophobicContact CB-CD2 3.95Å; P88-Y354 HydrophobicContact CG-CD2 4.38Å; P88-F357 HydrophobicContact CB-CB 4.17Å; P88-F357 HydrophobicContact CG-CD2 4.37Å; P88-F357 WeakPolarHBondContact O-CB 3.5Å; P88-R361 PolarHBondContact O-NH2 2.85Å
89A84.9Confident86.9Confident24 Ų2451.2 Ų51.220%0.19825%0.249CC..THydrogen-bonded Turntrans-75.6-16172.300000114L81 H87 A91 F357L81-A89 HydrophobicContact CD2-CB 4.06Å; H87-A89 WeakPolarHBondContact ND1-CB 3.29Å; H87-A89 PolarHBondContact ND1-N 3.18Å; H87-A89 PolarHBondContact O-N 2.83Å; H87-A89 VanDerWaalsContact O-N 3.1Å; A89-A91 PolarHBondContact O-N 2.81Å; A89-F357 HydrophobicContact CB-CD1 3.89Å; A89-F357 HydrophobicContact CB-CD2 3.72Å; A89-F357 HydrophobicContact CB-CE1 3.55Å; A89-F357 HydrophobicContact CB-CE2 3.42Å; A89-F357 VanDerWaalsContact CB-CE2 3.42Å; A89-F357 HydrophobicContact CB-CG 3.99Å; A89-F357 HydrophobicContact CB-CZ 3.32Å
90Y86.3Confident87.3Confident19 Ų1947.6 Ų47.68%0.07523%0.232CC..  trans-69.3106.8-176.4-177.2-119.6000110.2Y19 V78 L81 I85 H87 P88 P92 Y153 R361Y19-Y90 PolarHBondContact OH-OH 2.9Å; V78-Y90 HydrophobicContact CG2-CD2 3.81Å; V78-Y90 HydrophobicContact CG2-CE2 3.39Å; L81-Y90 HydrophobicContact CD1-CD2 4.25Å; I85-Y90 HydrophobicContact CB-CD1 3.9Å; I85-Y90 HydrophobicContact CB-CE1 3.8Å; I85-Y90 HydrophobicContact CG2-CD1 4.28Å; I85-Y90 HydrophobicContact CG2-CE1 3.8Å; I85-Y90 HydrophobicContact CG2-CE2 4.45Å; I85-Y90 WeakPolarHBondContact O-CD1 3.36Å; H87-Y90 VanDerWaalsContact O-CB 3.24Å; H87-Y90 WeakPolarHBondContact O-CB 3.46Å; H87-Y90 PolarHBondContact O-N 2.88Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; Y90-P92 HydrophobicContact CD1-CG 4.37Å; Y90-P92 HydrophobicContact CE1-CB 4.34Å; Y90-P92 HydrophobicContact CE1-CG 3.7Å; Y90-P92 HydrophobicContact CE2-CB 3.99Å; Y90-P92 HydrophobicContact CE2-CG 4.19Å; Y90-Y153 AromaticContact CE1-CE1 3.89Å; Y90-Y153 HydrophobicContact CE1-CE1 3.89Å; Y90-Y153 HydrophobicContact CE1-CE2 4.28Å; Y90-Y153 AromaticContact CE1-CZ 3.64Å; Y90-Y153 AromaticContact CZ-CZ 3.98Å; Y90-Y153 PolarHBondContact OH-OH 2.68Å; Y90-R361 PolarHBondContact O-NH2 3.18Å
91A86.8Confident87.9Confident18 Ų1842.6 Ų42.615%0.14922%0.217CC..  trans-133.873-178.300000109A89 I93 E94 H95A89-A91 PolarHBondContact O-N 2.81Å; A91-I93 VanDerWaalsContact C-N 3.32Å; A91-I93 PolarHBondContact O-N 3.08Å; A91-E94 HydrophobicContact CB-CB 4.06Å; A91-E94 HydrophobicContact CB-CG 4.17Å; A91-E94 PolarHBondContact O-N 3.4Å; A91-H95 PolarHBondContact O-N 2.94Å
92P87.1Confident88.2Confident7 Ų746.3 Ų46.35%0.04524%0.237CC..Hα-helixtrans-60-41.9-170.221.7-32.4000112.2Y90 H95 I96 Y153Y90-P92 HydrophobicContact CD1-CG 4.37Å; Y90-P92 HydrophobicContact CE1-CB 4.34Å; Y90-P92 HydrophobicContact CE1-CG 3.7Å; Y90-P92 HydrophobicContact CE2-CB 3.99Å; Y90-P92 HydrophobicContact CE2-CG 4.19Å; P92-H95 PolarHBondContact O-N 3.28Å; P92-I96 WeakPolarHBondContact O-CB 3.24Å; P92-I96 VanDerWaalsContact O-CG1 3.24Å; P92-I96 WeakPolarHBondContact O-CG1 3.46Å; P92-I96 PolarHBondContact O-N 2.92Å; P92-Y153 HydrophobicContact CG-CD1 4.42Å; P92-Y153 HydrophobicContact CG-CE1 3.97Å
93I91.1Very high88.8Confident22 Ų2247.3 Ų47.311%0.11324%0.242CC..Hα-helixtrans-68.1-41.1-179.2-62.1-57.4000112.4A91 H95 I96 K97 V145 L148 Y149 C154A91-I93 VanDerWaalsContact C-N 3.32Å; A91-I93 PolarHBondContact O-N 3.08Å; I93-H95 VanDerWaalsContact C-N 3.3Å; I93-H95 PolarHBondContact O-N 3.34Å; I93-I96 PolarHBondContact O-N 2.94Å; I93-K97 VanDerWaalsContact O-CB 3.24Å; I93-K97 WeakPolarHBondContact O-CB 3.49Å; I93-K97 PolarHBondContact O-N 2.88Å; I93-V145 HydrophobicContact CG2-CB 4.45Å; I93-V145 HydrophobicContact CG2-CG1 3.62Å; I93-V145 HydrophobicContact CG2-CG2 4.35Å; I93-L148 HydrophobicContact CD1-CB 3.62Å; I93-L148 WeakPolarHBondContact CD1-O 3.26Å; I93-Y149 HydrophobicContact CG1-CD2 4.27Å; I93-C154 HydrophobicContact CG1-CB 3.56Å; I93-C154 WeakPolarHBondContact CG1-SG 3.21Å
94E89.3Confident89.4Confident62 Ų6244.5 Ų44.529%0.2923%0.227SC..Hα-helixtrans-62.6-41.1175-69.7-179.4-151.500111.3A91 R98 R360A91-E94 HydrophobicContact CB-CB 4.06Å; A91-E94 HydrophobicContact CB-CG 4.17Å; A91-E94 PolarHBondContact O-N 3.4Å; E94-R98 WeakPolarHBondContact O-CG 3.46Å; E94-R98 PolarHBondContact O-N 2.97Å; E94-R98 VanDerWaalsContact O-N 3.13Å; E94-R98 IonicContact OE2-NH2 2.73Å; E94-R98 PolarHBondContact OE2-NH2 3.49Å; E94-R360 IonicContact OE2-NH2 3.19Å
95H90.3Very high89.8Confident32 Ų3243.9 Ų43.915%0.14822%0.223CC..Hα-helixtrans-63-50.4177.5178.965.3000111.3Q77 A91 P92 I93 K97 R98 Q99Q77-H95 VanDerWaalsContact CD-CE1 3.48Å; Q77-H95 PolarHBondContact NE2-CE1 3.43Å; Q77-H95 VanDerWaalsContact NE2-CE1 3.28Å; Q77-H95 PolarHBondContact OE1-CE1 3.37Å; Q77-H95 PolarHBondContact OE1-ND1 2.8Å; Q77-H95 VanDerWaalsContact OE1-ND1 3.15Å; Q77-H95 PolarHBondContact OE1-NE2 3.43Å; A91-H95 PolarHBondContact O-N 2.94Å; P92-H95 PolarHBondContact O-N 3.28Å; I93-H95 VanDerWaalsContact C-N 3.3Å; I93-H95 PolarHBondContact O-N 3.34Å; H95-K97 PolarHBondContact O-N 3.35Å; H95-R98 PolarHBondContact O-N 3.37Å; H95-Q99 VanDerWaalsContact O-CG 3.26Å; H95-Q99 WeakPolarHBondContact O-CG 3.47Å; H95-Q99 PolarHBondContact O-N 2.9Å
96I91.9Very high90.3Very high11 Ų1147.1 Ų47.16%0.05625%0.246CC..Hα-helixtrans-62.1-44.3178.7-65.7164000110.6L53 M74 P92 I93 R98 Q99 L100 L148L53-I96 HydrophobicContact CD2-CG2 4.4Å; M74-I96 HydrophobicContact SD-CD1 3.94Å; M74-I96 HydrophobicContact SD-CG1 3.98Å; P92-I96 WeakPolarHBondContact O-CB 3.24Å; P92-I96 VanDerWaalsContact O-CG1 3.24Å; P92-I96 WeakPolarHBondContact O-CG1 3.46Å; P92-I96 PolarHBondContact O-N 2.92Å; I93-I96 PolarHBondContact O-N 2.94Å; I96-R98 PolarHBondContact O-N 2.88Å; I96-Q99 PolarHBondContact O-N 3.47Å; I96-L100 HydrophobicContact CG2-CD1 3.81Å; I96-L100 HydrophobicContact CG2-CG 4.11Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 2.83Å; I96-L148 HydrophobicContact CD1-CD1 4.26Å; I96-L148 HydrophobicContact CG2-CD1 3.78Å
97K94.3Very high90.9Very high74 Ų7444.1 Ų44.132%0.32223%0.23SC..Hα-helixtrans-56-49.4177.9-177173.3-179.31660111.7I93 H95 Q99 L100 Q101 I141 V145I93-K97 VanDerWaalsContact O-CB 3.24Å; I93-K97 WeakPolarHBondContact O-CB 3.49Å; I93-K97 PolarHBondContact O-N 2.88Å; H95-K97 PolarHBondContact O-N 3.35Å; K97-Q99 PolarHBondContact O-N 3.16Å; K97-L100 PolarHBondContact O-N 2.86Å; K97-Q101 VanDerWaalsContact O-CG 3.29Å; K97-Q101 WeakPolarHBondContact O-CG 3.31Å; K97-Q101 PolarHBondContact O-N 2.85Å; K97-I141 HydrophobicContact CG-CG2 4.04Å; K97-V145 HydrophobicContact CB-CG2 3.85Å; K97-V145 HydrophobicContact CD-CG2 4.11Å; K97-V145 HydrophobicContact CG-CG2 4Å
98R93.3Very high91.5Very high116 Ų11643.6 Ų43.644%0.43823%0.228SC..Hα-helixtrans-61.2-45.6178.2-70.3178.9-141.9163.66.2111.6E94 H95 I96 L100 Q101 D102E94-R98 WeakPolarHBondContact O-CG 3.46Å; E94-R98 PolarHBondContact O-N 2.97Å; E94-R98 VanDerWaalsContact O-N 3.13Å; E94-R98 IonicContact OE2-NH2 2.73Å; E94-R98 PolarHBondContact OE2-NH2 3.49Å; H95-R98 PolarHBondContact O-N 3.37Å; I96-R98 PolarHBondContact O-N 2.88Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.32Å; R98-Q101 WeakPolarHBondContact O-CB 3.26Å; R98-Q101 PolarHBondContact O-N 3.23Å; R98-Q101 VanDerWaalsContact O-N 3.14Å; R98-D102 PolarHBondContact O-N 2.74Å
99Q91.8Very high92.1Very high59 Ų5944.5 Ų44.528%0.27623%0.231SC..Hα-helixtrans-62-40.6178.3-70.7-77.6-71.400112.2H70 H95 I96 K97 D102 T103H70-Q99 WeakPolarHBondContact CE1-CB 3.46Å; H70-Q99 VanDerWaalsContact CE1-CG 3.48Å; H70-Q99 WeakPolarHBondContact CE1-CG 3.39Å; H70-Q99 PolarHBondContact ND1-OE1 3.11Å; H95-Q99 VanDerWaalsContact O-CG 3.26Å; H95-Q99 WeakPolarHBondContact O-CG 3.47Å; H95-Q99 PolarHBondContact O-N 2.9Å; I96-Q99 PolarHBondContact O-N 3.47Å; K97-Q99 PolarHBondContact O-N 3.16Å; Q99-D102 PolarHBondContact O-N 3.22Å; Q99-T103 VanDerWaalsContact O-CB 3.24Å; Q99-T103 WeakPolarHBondContact O-CB 3.44Å; Q99-T103 WeakPolarHBondContact O-CG2 3.38Å; Q99-T103 PolarHBondContact O-N 3.48Å; Q99-T103 PolarHBondContact O-OG1 3.49Å
100L94.1Very high92.7Very high8 Ų848 Ų484%0.04225%0.249CC..Hα-helixtrans-63.8-40.4174-68.6172.6000111.6L53 I96 K97 R98 D102 T103 L104 I141 L144L53-L100 HydrophobicContact CD2-CD1 4.21Å; L53-L100 HydrophobicContact CD2-CD2 4.02Å; I96-L100 HydrophobicContact CG2-CD1 3.81Å; I96-L100 HydrophobicContact CG2-CG 4.11Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 2.83Å; K97-L100 PolarHBondContact O-N 2.86Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.32Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.13Å; L100-T103 PolarHBondContact O-N 3.22Å; L100-L104 HydrophobicContact CB-CD1 4.18Å; L100-L104 HydrophobicContact CB-CG 4.4Å; L100-L104 HydrophobicContact CD2-CD1 4.12Å; L100-L104 HydrophobicContact CD2-CG 4.18Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 WeakPolarHBondContact O-CG 3.24Å; L100-L104 PolarHBondContact O-N 2.97Å; L100-I141 HydrophobicContact CB-CD1 4.42Å; L100-I141 HydrophobicContact CB-CG1 4.16Å; L100-I141 HydrophobicContact CB-CG2 4.31Å; L100-I141 HydrophobicContact CD1-CG2 4.49Å; L100-L144 HydrophobicContact CD1-CB 3.92Å; L100-L144 HydrophobicContact CD1-CD1 3.9Å; L100-L144 HydrophobicContact CD2-CD1 4.27Å
101Q95.1Very high93.1Very high68 Ų6850.2 Ų50.232%0.31826%0.262SS..Hα-helixtrans-62.3-40.6176.2-71.5172-43.400112.5K97 R98 R137 I141K97-Q101 VanDerWaalsContact O-CG 3.29Å; K97-Q101 WeakPolarHBondContact O-CG 3.31Å; K97-Q101 PolarHBondContact O-N 2.85Å; R98-Q101 WeakPolarHBondContact O-CB 3.26Å; R98-Q101 PolarHBondContact O-N 3.23Å; R98-Q101 VanDerWaalsContact O-N 3.14Å; Q101-R137 PolarHBondContact O-NH1 2.99Å; Q101-I141 HydrophobicContact CB-CD1 4.4Å; Q101-I141 HydrophobicContact CG-CD1 3.76Å; Q101-I141 HydrophobicContact CG-CG2 4.47Å
102D93.2Very high93.6Very high124 Ų12449.4 Ų49.466%0.66326%0.255SS*.Hα-helixtrans-74.6-31.2-178.8-65.5-23.8000112.5R98 Q99 L100R98-D102 PolarHBondContact O-N 2.74Å; Q99-D102 PolarHBondContact O-N 3.22Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.13Å
103T91.3Very high94Very high36 Ų3650.1 Ų50.122%0.22126%0.26CS..Hα-helixtrans-110.9-26.8-165.5640000114.3K62 F66 Q99 L100K62-T103 WeakPolarHBondContact CE-O 3.14Å; K62-T103 PolarHBondContact NZ-O 3.42Å; F66-T103 VanDerWaalsContact CE2-CB 3.46Å; F66-T103 HydrophobicContact CE2-CG2 3.56Å; F66-T103 HydrophobicContact CZ-CG2 3.96Å; F66-T103 WeakPolarHBondContact CZ-OG1 3.24Å; Q99-T103 VanDerWaalsContact O-CB 3.24Å; Q99-T103 WeakPolarHBondContact O-CB 3.44Å; Q99-T103 WeakPolarHBondContact O-CG2 3.38Å; Q99-T103 PolarHBondContact O-N 3.48Å; Q99-T103 PolarHBondContact O-OG1 3.49Å; L100-T103 PolarHBondContact O-N 3.22Å
104L94.1Very high94Very high6 Ų653.5 Ų53.53%0.03128%0.275CS..SBendtrans-72.5135177.9-70.8-177.1000110.7V56 L100 A108 R137 L140 I141 L144V56-L104 HydrophobicContact CG2-CD2 4.32Å; L100-L104 HydrophobicContact CB-CD1 4.18Å; L100-L104 HydrophobicContact CB-CG 4.4Å; L100-L104 HydrophobicContact CD2-CD1 4.12Å; L100-L104 HydrophobicContact CD2-CG 4.18Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 WeakPolarHBondContact O-CG 3.24Å; L100-L104 PolarHBondContact O-N 2.97Å; L104-A108 HydrophobicContact CB-CB 4.15Å; L104-R137 PolarHBondContact O-NH1 3.31Å; L104-R137 VanDerWaalsContact O-NH1 3.09Å; L104-L140 HydrophobicContact CD1-CD2 4.49Å; L104-I141 HydrophobicContact CD1-CD1 4.37Å; L104-I141 HydrophobicContact CD1-CG1 3.83Å; L104-L144 HydrophobicContact CD1-CD1 4.31Å
105P94.9Very high94.3Very high31 Ų3155.2 Ų55.220%0.20128%0.279CS..  trans-64.1154.517931.3-36.6000110.8C60 D107 A108 R137C60-P105 HydrophobicContact CB-CG 4.41Å; P105-D107 WeakPolarHBondContact CB-OD1 3.16Å; P105-D107 PolarHBondContact O-N 3.23Å; P105-A108 HydrophobicContact CG-CB 3.95Å; P105-A108 VanDerWaalsContact O-CB 3.23Å; P105-A108 WeakPolarHBondContact O-CB 3.08Å; P105-A108 PolarHBondContact O-N 3.4Å; P105-R137 VanDerWaalsContact O-CD 3.25Å; P105-R137 WeakPolarHBondContact O-CD 3.27Å
106P95.2Very high94.6Very high103 Ų10353.7 Ų53.767%0.66927%0.272SS*.THydrogen-bonded Turntrans-54.8-34.7-178.8-27.335.9000114H109P106-H109 PolarHBondContact O-CE1 3.34Å; P106-H109 VanDerWaalsContact O-CE1 3.31Å; P106-H109 PolarHBondContact O-ND1 3.17Å
107D95.9Very high94.9Very high77 Ų7753.1 Ų53.141%0.41227%0.27SS..THydrogen-bonded Turntrans-91.510.1-179.365.3-26.1000113.9P105 H109 V110 L111P105-D107 WeakPolarHBondContact CB-OD1 3.16Å; P105-D107 PolarHBondContact O-N 3.23Å; D107-H109 PolarHBondContact O-N 3.16Å; D107-H109 VanDerWaalsContact O-N 3.09Å; D107-V110 WeakPolarHBondContact O-CB 3.43Å; D107-V110 PolarHBondContact O-N 3.18Å; D107-L111 PolarHBondContact O-N 3.21Å; D107-L111 VanDerWaalsContact O-N 3.14Å
108A96.6Very high95.1Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-52.5-37.3-177.900000113.7L104 P105 V110 L111 A112 L140L104-A108 HydrophobicContact CB-CB 4.15Å; P105-A108 HydrophobicContact CG-CB 3.95Å; P105-A108 VanDerWaalsContact O-CB 3.23Å; P105-A108 WeakPolarHBondContact O-CB 3.08Å; P105-A108 PolarHBondContact O-N 3.4Å; A108-V110 VanDerWaalsContact C-N 3.34Å; A108-L111 PolarHBondContact O-N 2.87Å; A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 2.79Å; A108-L140 HydrophobicContact CB-CD2 3.88Å
109H97Very high95.3Very high38 Ų3844.1 Ų44.118%0.17623%0.233CC..Hα-helixtrans-66.9-32.317863.2-75.4000113.1P106 D107 S113 F134 S135 T136 R137 L140P106-H109 PolarHBondContact O-CE1 3.34Å; P106-H109 VanDerWaalsContact O-CE1 3.31Å; P106-H109 PolarHBondContact O-ND1 3.17Å; D107-H109 PolarHBondContact O-N 3.16Å; D107-H109 VanDerWaalsContact O-N 3.09Å; H109-S113 VanDerWaalsContact O-CB 3.3Å; H109-S113 WeakPolarHBondContact O-CB 3.18Å; H109-S113 PolarHBondContact O-N 3.38Å; H109-S113 PolarHBondContact O-OG 3.43Å; H109-F134 HydrophobicContact CB-CB 3.95Å; H109-S135 PolarHBondContact CD2-O 3.43Å; H109-S135 VanDerWaalsContact CD2-O 3.29Å; H109-T136 VanDerWaalsContact CB-O 3.25Å; H109-T136 WeakPolarHBondContact CB-O 3.27Å; H109-R137 PolarHBondContact ND1-N 3.23Å; H109-L140 HydrophobicContact CB-CB 4.34Å
110V97.1Very high95.5Very high97 Ų9741.3 Ų41.359%0.58822%0.22SC*.Hα-helixtrans-71.6-45.3174.7-176.90000110.1D107 A108 A112D107-V110 WeakPolarHBondContact O-CB 3.43Å; D107-V110 PolarHBondContact O-N 3.18Å; A108-V110 VanDerWaalsContact C-N 3.34Å; V110-A112 VanDerWaalsContact C-N 3.3Å; V110-A112 PolarHBondContact O-N 3.03Å
111L95.9Very high95.6Very high66 Ų6641 Ų4135%0.34622%0.219SC..Hα-helixtrans-63.2-37.9176.9-61.4176.3000112V59 D107 A108V59-L111 HydrophobicContact CG1-CB 4.13Å; V59-L111 WeakPolarHBondContact CG1-O 3.06Å; D107-L111 PolarHBondContact O-N 3.21Å; D107-L111 VanDerWaalsContact O-N 3.14Å; A108-L111 PolarHBondContact O-N 2.87Å
112A96Very high95.7Very high0 Ų041.2 Ų41.20%022%0.217CC..Hα-helixtrans-76.4-36.2-179.300000113.4A108 V110 Q114 R115 L116 F134 L140A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 2.79Å; V110-A112 VanDerWaalsContact C-N 3.3Å; V110-A112 PolarHBondContact O-N 3.03Å; A112-Q114 PolarHBondContact O-N 2.89Å; A112-R115 PolarHBondContact O-N 3.28Å; A112-L116 HydrophobicContact CB-CB 3.97Å; A112-L116 HydrophobicContact CB-CD2 3.91Å; A112-L116 VanDerWaalsContact O-CB 3.26Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 PolarHBondContact O-N 3.04Å; A112-F134 HydrophobicContact CB-CD2 3.95Å; A112-F134 HydrophobicContact CB-CE2 4.16Å; A112-L140 HydrophobicContact CB-CD1 4.1Å; A112-L140 HydrophobicContact CB-CD2 3.89Å
113S95.1Very high95.5Very high22 Ų2239.2 Ų39.215%0.15420%0.2CC..THydrogen-bonded Turntrans-59.3134.3-176.2-68.50000111.3H109 R115 F134H109-S113 VanDerWaalsContact O-CB 3.3Å; H109-S113 WeakPolarHBondContact O-CB 3.18Å; H109-S113 PolarHBondContact O-N 3.38Å; H109-S113 PolarHBondContact O-OG 3.43Å; S113-R115 PolarHBondContact O-N 3.49Å; S113-F134 PolarHBondContact OG-N 3.34Å; S113-F134 PolarHBondContact OG-O 2.85Å; S113-F134 VanDerWaalsContact OG-O 3.08Å
114Q92.6Very high95.3Very high93 Ų9341 Ų4144%0.43521%0.213SC..THydrogen-bonded Turntrans64.9-16.2-176.1-55.1-57.8-42.400116.7R44 A112 T132 D133R44-Q114 WeakPolarHBondContact CG-O 3.39Å; R44-Q114 PolarHBondContact NE-O 3.45Å; A112-Q114 PolarHBondContact O-N 2.89Å; Q114-T132 PolarHBondContact N-O 3.33Å; Q114-D133 PolarHBondContact NE2-OD2 3.31Å
115R94.9Very high95Very high98 Ų9844 Ų4437%0.3723%0.228SC..THydrogen-bonded Turntrans-97.9-33.5176-65-16571.3-163.91.8113.5R44 I45 A112 S113R44-R115 CarbonylContact C-O 3.53Å; R44-R115 VanDerWaalsContact CA-O 3.25Å; R44-R115 WeakPolarHBondContact CA-O 3.44Å; I45-R115 PolarHBondContact N-O 3.08Å; A112-R115 PolarHBondContact O-N 3.28Å; S113-R115 PolarHBondContact O-N 3.49Å
116L97.2Very high94.7Very high0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-100.3138.4179.5-176.667.5000109.7I45 A55 V56 V59 A112 I118 T132 F134 L140I45-L116 CarbonylContact O-C 3.45Å; I45-L116 WeakPolarHBondContact O-CA 3.36Å; A55-L116 HydrophobicContact CB-CD1 3.45Å; A55-L116 VanDerWaalsContact CB-CD1 3.45Å; V56-L116 HydrophobicContact CB-CD2 4.01Å; V56-L116 HydrophobicContact CG2-CD2 4.17Å; V59-L116 HydrophobicContact CG2-CB 4.45Å; V59-L116 HydrophobicContact CG2-CD1 4.47Å; A112-L116 HydrophobicContact CB-CB 3.97Å; A112-L116 HydrophobicContact CB-CD2 3.91Å; A112-L116 VanDerWaalsContact O-CB 3.26Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 PolarHBondContact O-N 3.04Å; L116-I118 HydrophobicContact CD2-CD1 3.84Å; L116-I118 HydrophobicContact CD2-CG1 3.85Å; L116-I118 HydrophobicContact CG-CG1 3.98Å; L116-T132 WeakPolarHBondContact O-CA 3.37Å; L116-F134 HydrophobicContact CB-CE2 4.41Å; L116-F134 HydrophobicContact CD2-CE2 4.27Å; L116-L140 HydrophobicContact CD2-CD1 3.85Å
117G97.6Very high94.6Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-125.4118.716600000111.8I45 Y46 G47 A131I45-G117 PolarHBondContact O-N 2.74Å; Y46-G117 CarbonylContact C-O 3.59Å; Y46-G117 VanDerWaalsContact CA-O 3.28Å; Y46-G117 WeakPolarHBondContact CA-O 3.32Å; G47-G117 PolarHBondContact N-O 2.75Å; G117-A131 CarbonylContact C-O 3.55Å; G117-A131 WeakPolarHBondContact CA-O 3.49Å
118I98.2Very high94.6Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-102.2118.8-178.9-56.6176.5000108.9A52 L116 L120 L130 A131 F134 L140 A143 L144 T147A52-I118 HydrophobicContact CB-CG2 4.23Å; L116-I118 HydrophobicContact CD2-CD1 3.84Å; L116-I118 HydrophobicContact CD2-CG1 3.85Å; L116-I118 HydrophobicContact CG-CG1 3.98Å; I118-L120 HydrophobicContact CG2-CD2 3.94Å; I118-L120 HydrophobicContact CG2-CG 4.37Å; I118-L130 WeakPolarHBondContact O-CA 3.47Å; I118-A131 HydrophobicContact CB-CB 4.4Å; I118-A131 PolarHBondContact N-O 3.47Å; I118-A131 PolarHBondContact O-N 2.82Å; I118-F134 HydrophobicContact CD1-CE1 3.99Å; I118-F134 HydrophobicContact CD1-CZ 3.63Å; I118-F134 HydrophobicContact CG1-CZ 4.04Å; I118-L140 HydrophobicContact CD1-CD1 3.91Å; I118-A143 HydrophobicContact CD1-CB 3.9Å; I118-L144 HydrophobicContact CD1-CD2 3.8Å; I118-L144 HydrophobicContact CD1-CG 4.02Å; I118-T147 HydrophobicContact CG2-CG2 3.74Å
119S97.7Very high94.6Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-74.2129.7173.1-173.20000110.2G47 N128 T147 G169 N173G47-S119 PolarHBondContact O-N 2.89Å; S119-N128 PolarHBondContact OG-ND2 3.26Å; S119-T147 WeakPolarHBondContact O-CB 3.49Å; S119-T147 PolarHBondContact O-OG1 3.47Å; S119-G169 VanDerWaalsContact O-CA 3.24Å; S119-G169 WeakPolarHBondContact O-CA 2.97Å; S119-G169 PolarHBondContact OG-O 3.05Å; S119-N173 WeakPolarHBondContact CB-O 3.25Å; S119-N173 PolarHBondContact OG-O 3.1Å
120L97.1Very high94.5Very high0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-128.9143177-59-179.4000109.6I118 N128 F129 A131 A143 C146 T147 F161 Y166I118-L120 HydrophobicContact CG2-CD2 3.94Å; I118-L120 HydrophobicContact CG2-CG 4.37Å; L120-N128 CarbonylContact O-C 3.57Å; L120-N128 WeakPolarHBondContact O-CA 3.04Å; L120-N128 PolarHBondContact O-ND2 2.95Å; L120-N128 VanDerWaalsContact O-ND2 3.07Å; L120-F129 HydrophobicContact CB-CB 4.46Å; L120-F129 HydrophobicContact CB-CD1 4.43Å; L120-F129 WeakPolarHBondContact CB-O 3.5Å; L120-F129 HydrophobicContact CD1-CD1 4.02Å; L120-F129 HydrophobicContact CD1-CE1 4.49Å; L120-F129 PolarHBondContact N-O 2.77Å; L120-F129 PolarHBondContact O-N 3.36Å; L120-A131 HydrophobicContact CD1-CB 4.26Å; L120-A143 WeakPolarHBondContact CD2-O 3.14Å; L120-C146 HydrophobicContact CD1-CB 4.43Å; L120-C146 HydrophobicContact CD2-CB 3.69Å; L120-T147 VanDerWaalsContact CD2-N 3.35Å; L120-F161 HydrophobicContact CD1-CD1 3.94Å; L120-F161 HydrophobicContact CD1-CE1 4.23Å; L120-F161 HydrophobicContact CD1-CG 4.48Å; L120-Y166 HydrophobicContact CB-CD1 3.55Å; L120-Y166 HydrophobicContact CB-CE1 4.13Å; L120-Y166 HydrophobicContact CB-CG 4.13Å; L120-Y166 HydrophobicContact CD1-CD1 4.24Å; L120-Y166 HydrophobicContact CD1-CG 4.23Å; L120-Y166 HydrophobicContact CG-CD1 4.5Å
121T96.2Very high94.6Very high3 Ų345.6 Ų45.62%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-102.1114.7173.5-56.80000108.7Y166 I167 D168 L171 S172T121-Y166 CarbonylContact O-C 3.57Å; T121-Y166 VanDerWaalsContact O-CA 3.31Å; T121-Y166 WeakPolarHBondContact O-CA 3.41Å; T121-I167 HydrophobicContact CG2-CD1 4.15Å; T121-I167 HydrophobicContact CG2-CG1 3.86Å; T121-I167 PolarHBondContact N-O 3.23Å; T121-I167 VanDerWaalsContact N-O 3.13Å; T121-I167 PolarHBondContact O-N 3.33Å; T121-D168 VanDerWaalsContact CB-O 3.31Å; T121-D168 WeakPolarHBondContact CB-O 3.33Å; T121-D168 PolarHBondContact OG1-O 3.09Å; T121-L171 HydrophobicContact CG2-CB 4.31Å; T121-S172 WeakPolarHBondContact CB-OG 3.21Å; T121-S172 VanDerWaalsContact OG1-CB 3.3Å; T121-S172 WeakPolarHBondContact OG1-CB 3.48Å; T121-S172 PolarHBondContact OG1-N 3.09Å; T121-S172 VanDerWaalsContact OG1-N 3.16Å; T121-S172 PolarHBondContact OG1-OG 3.02Å
122R95.4Very high94.6Very high72 Ų7244 Ų4427%0.27221%0.214SC..EExtended strand (participates in β ladder)trans-68.6137.6177.7-174.7170.467.4179.24.8110.2D125 G126 R127 Y166R122-D125 WeakPolarHBondContact CB-OD1 3.31Å; R122-D125 WeakPolarHBondContact CG-OD1 3.25Å; R122-D125 IonicContact CZ-OD1 2.67Å; R122-D125 IonicContact CZ-OD2 2.87Å; R122-D125 VanDerWaalsContact CZ-OD2 3.23Å; R122-D125 VanDerWaalsContact NE-CG 3.33Å; R122-D125 IonicContact NE-OD1 2.87Å; R122-D125 PolarHBondContact NE-OD1 3.44Å; R122-D125 IonicContact NE-OD2 3.69Å; R122-D125 PolarHBondContact NE-OD2 3.29Å; R122-D125 VanDerWaalsContact NE-OD2 3.08Å; R122-D125 IonicContact NH2-OD1 3.4Å; R122-D125 IonicContact NH2-OD2 2.77Å; R122-D125 PolarHBondContact NH2-OD2 3.01Å; R122-G126 VanDerWaalsContact O-CA 3.25Å; R122-G126 WeakPolarHBondContact O-CA 3.43Å; R122-G126 PolarHBondContact O-N 2.9Å; R122-R127 WeakPolarHBondContact CB-O 3.3Å; R122-R127 PolarHBondContact N-O 3.49Å; R122-Y166 HydrophobicContact CB-CD1 4.06Å; R122-Y166 HydrophobicContact CB-CE1 3.81Å; R122-Y166 HydrophobicContact CG-CE1 4.23Å
123W90.2Very high94.6Very high81 Ų8147.2 Ų47.231%0.30723%0.231SC..EExtended strand (participates in β ladder)trans-111.9134.9178.9-179.1-91.4000110.2P158 R165 I167 W375W123-P158 HydrophobicContact CB-CG 4.42Å; W123-P158 HydrophobicContact CD2-CG 4.43Å; W123-P158 HydrophobicContact CG-CG 4.01Å; W123-R165 PolarHBondContact N-O 3.31Å; W123-I167 HydrophobicContact CB-CG2 4.2Å; W123-I167 HydrophobicContact CE3-CD1 3.67Å; W123-I167 HydrophobicContact CE3-CG2 4.33Å; W123-I167 HydrophobicContact CG-CG2 4.5Å; W123-I167 HydrophobicContact CZ3-CD1 4.07Å; W123-W375 AromaticContact CD1-CH2 3.75Å; W123-W375 AromaticContact CD1-CZ2 3.52Å; W123-W375 AromaticContact NE1-CH2 3.65Å; W123-W375 AromaticContact NE1-CZ2 3.8Å
124P86.9Confident94.7Very high75 Ų7546.3 Ų46.349%0.48722%0.224SC..THydrogen-bonded Turncis-94.4-3.2939.4-40.8000115G126 L379P124-G126 VanDerWaalsContact C-N 3.29Å; P124-G126 PolarHBondContact O-N 3.13Å; P124-L379 HydrophobicContact CB-CD1 3.93Å; P124-L379 HydrophobicContact CG-CD1 3.56Å
125D88.1Confident94.9Very high67 Ų6745.7 Ų45.736%0.35823%0.23SC..THydrogen-bonded Turntrans-80.1-7.2-166.776.1-26.9000114.9R122 R127R122-D125 WeakPolarHBondContact CB-OD1 3.31Å; R122-D125 WeakPolarHBondContact CG-OD1 3.25Å; R122-D125 IonicContact CZ-OD1 2.67Å; R122-D125 IonicContact CZ-OD2 2.87Å; R122-D125 VanDerWaalsContact CZ-OD2 3.23Å; R122-D125 VanDerWaalsContact NE-CG 3.33Å; R122-D125 IonicContact NE-OD1 2.87Å; R122-D125 PolarHBondContact NE-OD1 3.44Å; R122-D125 IonicContact NE-OD2 3.69Å; R122-D125 PolarHBondContact NE-OD2 3.29Å; R122-D125 VanDerWaalsContact NE-OD2 3.08Å; R122-D125 IonicContact NH2-OD1 3.4Å; R122-D125 IonicContact NH2-OD2 2.77Å; R122-D125 PolarHBondContact NH2-OD2 3.01Å; D125-R127 PolarHBondContact O-N 2.87Å; D125-R127 PolarHBondContact OD1-N 2.73Å; D125-R127 WeakPolarHBondContact OD2-CD 3.28Å; D125-R127 VanDerWaalsContact OD2-CG 3.24Å; D125-R127 WeakPolarHBondContact OD2-CG 3.12Å; D125-R127 IonicContact OD2-CZ 3.14Å; D125-R127 IonicContact OD2-NE 2.68Å; D125-R127 PolarHBondContact OD2-NE 2.84Å
126G88.3Confident95Very high37 Ų3744.2 Ų44.238%0.38123%0.232SC..  trans73.48.1173.600000114.3R122 P124 S172R122-G126 VanDerWaalsContact O-CA 3.25Å; R122-G126 WeakPolarHBondContact O-CA 3.43Å; R122-G126 PolarHBondContact O-N 2.9Å; P124-G126 VanDerWaalsContact C-N 3.29Å; P124-G126 PolarHBondContact O-N 3.13Å; G126-S172 WeakPolarHBondContact O-CB 3.44Å
127R93Very high95.1Very high166 Ų16647.8 Ų47.863%0.62625%0.246SC*.  trans-74.4140.1-177.3-68.1-173.4-169176.51.2111R122 D125R122-R127 WeakPolarHBondContact CB-O 3.3Å; R122-R127 PolarHBondContact N-O 3.49Å; D125-R127 PolarHBondContact O-N 2.87Å; D125-R127 PolarHBondContact OD1-N 2.73Å; D125-R127 WeakPolarHBondContact OD2-CD 3.28Å; D125-R127 VanDerWaalsContact OD2-CG 3.24Å; D125-R127 WeakPolarHBondContact OD2-CG 3.12Å; D125-R127 IonicContact OD2-CZ 3.14Å; D125-R127 IonicContact OD2-NE 2.68Å; D125-R127 PolarHBondContact OD2-NE 2.84Å
128N95.3Very high95Very high62 Ų6252.3 Ų52.333%0.33227%0.27SS..EExtended strand (participates in β ladder)trans-73.5139.9175.1-170.9-120000111.3S119 L120 S172 N173S119-N128 PolarHBondContact OG-ND2 3.26Å; L120-N128 CarbonylContact O-C 3.57Å; L120-N128 WeakPolarHBondContact O-CA 3.04Å; L120-N128 PolarHBondContact O-ND2 2.95Å; L120-N128 VanDerWaalsContact O-ND2 3.07Å; N128-S172 WeakPolarHBondContact CA-OG 3.48Å; N128-S172 WeakPolarHBondContact CB-OG 3.34Å; N128-S172 PolarHBondContact ND2-OG 3.15Å; N128-N173 HydrophobicContact CB-CB 4.07Å; N128-N173 VanDerWaalsContact ND2-CB 3.34Å; N128-N173 WeakPolarHBondContact ND2-CB 3.42Å; N128-N173 WeakPolarHBondContact OD1-CB 3.45Å; N128-N173 PolarHBondContact OD1-ND2 3.12Å
129F95.9Very high95Very high69 Ų6953.8 Ų53.830%0.30328%0.277SS..EExtended strand (participates in β ladder)trans-130.2127.9171.1175.8-95.1000108.8L120 A131 F161 Y166L120-F129 HydrophobicContact CB-CB 4.46Å; L120-F129 HydrophobicContact CB-CD1 4.43Å; L120-F129 WeakPolarHBondContact CB-O 3.5Å; L120-F129 HydrophobicContact CD1-CD1 4.02Å; L120-F129 HydrophobicContact CD1-CE1 4.49Å; L120-F129 PolarHBondContact N-O 2.77Å; L120-F129 PolarHBondContact O-N 3.36Å; F129-A131 HydrophobicContact CD1-CB 4.37Å; F129-A131 HydrophobicContact CE1-CB 3.83Å; F129-F161 HydrophobicContact CE1-CD1 4.45Å; F129-F161 AromaticContact CE1-CE1 3.91Å; F129-F161 HydrophobicContact CE1-CE1 3.91Å; F129-Y166 HydrophobicContact CB-CE1 3.65Å; F129-Y166 HydrophobicContact CD1-CE1 4.07Å; F129-Y166 AromaticContact CG-CE1 3.99Å; F129-Y166 HydrophobicContact CG-CE1 3.99Å
130L96.8Very high95Very high45 Ų4553.8 Ų53.824%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-103.8103.4179.9-172.273.1000110.1Y46 I118 T132 P176 F177Y46-L130 HydrophobicContact CD1-CD1 4.27Å; Y46-L130 HydrophobicContact CD1-CD2 4.22Å; Y46-L130 HydrophobicContact CE1-CD2 3.96Å; I118-L130 WeakPolarHBondContact O-CA 3.47Å; L130-T132 HydrophobicContact CD2-CG2 4.07Å; L130-T132 HydrophobicContact CG-CG2 4.03Å; L130-T132 PolarHBondContact O-N 3.37Å; L130-P176 HydrophobicContact CD1-CB 4.3Å; L130-P176 HydrophobicContact CD1-CG 4.32Å; L130-F177 HydrophobicContact CD2-CE2 3.59Å; L130-F177 HydrophobicContact CD2-CZ 4.15Å
131A97.4Very high95Very high1 Ų153.8 Ų53.81%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-78118.9176.100000110G117 I118 L120 F129 F134 F161G117-A131 CarbonylContact C-O 3.55Å; G117-A131 WeakPolarHBondContact CA-O 3.49Å; I118-A131 HydrophobicContact CB-CB 4.4Å; I118-A131 PolarHBondContact N-O 3.47Å; I118-A131 PolarHBondContact O-N 2.82Å; L120-A131 HydrophobicContact CD1-CB 4.26Å; F129-A131 HydrophobicContact CD1-CB 4.37Å; F129-A131 HydrophobicContact CE1-CB 3.83Å; A131-F134 HydrophobicContact CB-CE1 4.03Å; A131-F134 HydrophobicContact CB-CZ 4.19Å; A131-F161 HydrophobicContact CB-CE1 4.22Å; A131-F161 HydrophobicContact CB-CZ 4.28Å
132T97Very high95.1Very high33 Ų3355.8 Ų55.820%0.20229%0.286CS..  trans-123.2-5.6-177.850.90000114.3Q114 L116 L130Q114-T132 PolarHBondContact N-O 3.33Å; L116-T132 WeakPolarHBondContact O-CA 3.37Å; L130-T132 HydrophobicContact CD2-CG2 4.07Å; L130-T132 HydrophobicContact CG-CG2 4.03Å; L130-T132 PolarHBondContact O-N 3.37Å
133D96.6Very high95.2Very high67 Ų6752.3 Ų52.336%0.35827%0.273SS..  trans-136.4136.9-174.1-167-97.6000109.2Q114 R162Q114-D133 PolarHBondContact NE2-OD2 3.31Å; D133-R162 PolarHBondContact O-NH2 3.34Å
134F97.1Very high95.6Very high4 Ų448.5 Ų48.52%0.01826%0.258CS..  trans-139.7116.5-172.8-50.2-79.7000110.1H109 A112 S113 L116 I118 A131 L140 A143H109-F134 HydrophobicContact CB-CB 3.95Å; A112-F134 HydrophobicContact CB-CD2 3.95Å; A112-F134 HydrophobicContact CB-CE2 4.16Å; S113-F134 PolarHBondContact OG-N 3.34Å; S113-F134 PolarHBondContact OG-O 2.85Å; S113-F134 VanDerWaalsContact OG-O 3.08Å; L116-F134 HydrophobicContact CB-CE2 4.41Å; L116-F134 HydrophobicContact CD2-CE2 4.27Å; I118-F134 HydrophobicContact CD1-CE1 3.99Å; I118-F134 HydrophobicContact CD1-CZ 3.63Å; I118-F134 HydrophobicContact CG1-CZ 4.04Å; A131-F134 HydrophobicContact CB-CE1 4.03Å; A131-F134 HydrophobicContact CB-CZ 4.19Å; F134-L140 HydrophobicContact CB-CB 4.16Å; F134-L140 HydrophobicContact CD1-CB 4.08Å; F134-L140 HydrophobicContact CD1-CD1 3.99Å; F134-L140 HydrophobicContact CD2-CD1 3.96Å; F134-L140 HydrophobicContact CE1-CD1 3.91Å; F134-L140 HydrophobicContact CE2-CD1 3.88Å; F134-L140 HydrophobicContact CG-CB 4.06Å; F134-L140 HydrophobicContact CG-CD1 4.01Å; F134-L140 HydrophobicContact CZ-CD1 3.86Å; F134-A143 HydrophobicContact CD1-CB 4.43Å; F134-A143 HydrophobicContact CE1-CB 3.72Å
135S96.4Very high96.1Very high80 Ų8045.3 Ų45.356%0.55924%0.238SC*.SBendtrans-75.7-29.1-178.1-15.30000112.4H109 E139H109-S135 PolarHBondContact CD2-O 3.43Å; H109-S135 VanDerWaalsContact CD2-O 3.29Å; S135-E139 WeakPolarHBondContact CA-OE2 3.45Å; S135-E139 WeakPolarHBondContact CB-OE2 3.39Å; S135-E139 PolarHBondContact N-OE2 3.27Å; S135-E139 PolarHBondContact OG-OE2 2.84Å
136T97.6Very high96.5Very high67 Ų6742.1 Ų42.141%0.41122%0.221SC..SBendtrans-142.3160.4-177.267.30000112.1H109 D138 E139 L140H109-T136 VanDerWaalsContact CB-O 3.25Å; H109-T136 WeakPolarHBondContact CB-O 3.27Å; T136-D138 VanDerWaalsContact C-N 3.27Å; T136-D138 PolarHBondContact O-N 2.87Å; T136-E139 PolarHBondContact O-N 3.38Å; T136-E139 WeakPolarHBondContact OG1-CB 3.41Å; T136-E139 PolarHBondContact OG1-N 3.43Å; T136-L140 PolarHBondContact O-N 2.81Å; T136-L140 VanDerWaalsContact O-N 3.11Å
137R97.3Very high96.9Very high74 Ų7440.4 Ų40.428%0.27920%0.202SC..Hα-helixtrans-58.8-40.3173.9-173.5178.470.1160.82.1111.7Q101 L104 P105 H109 E139 L140 I141Q101-R137 PolarHBondContact O-NH1 2.99Å; L104-R137 PolarHBondContact O-NH1 3.31Å; L104-R137 VanDerWaalsContact O-NH1 3.09Å; P105-R137 VanDerWaalsContact O-CD 3.25Å; P105-R137 WeakPolarHBondContact O-CD 3.27Å; H109-R137 PolarHBondContact ND1-N 3.23Å; R137-E139 VanDerWaalsContact C-N 3.33Å; R137-L140 PolarHBondContact O-N 2.93Å; R137-I141 HydrophobicContact CG-CD1 4.06Å; R137-I141 WeakPolarHBondContact O-CG1 3.41Å; R137-I141 PolarHBondContact O-N 3.03Å
138D97.1Very high97Very high96 Ų9633.3 Ų33.351%0.51318%0.177SC..Hα-helixtrans-68.5-34.8179.8-66.9-34.8000111.8T136 I141 Q142T136-D138 VanDerWaalsContact C-N 3.27Å; T136-D138 PolarHBondContact O-N 2.87Å; D138-I141 PolarHBondContact O-N 2.95Å; D138-Q142 VanDerWaalsContact O-CB 3.32Å; D138-Q142 WeakPolarHBondContact O-CB 3.35Å; D138-Q142 PolarHBondContact O-N 2.77Å
139E97.1Very high97Very high30 Ų3031.1 Ų31.114%0.1416%0.164CC..Hα-helixtrans-64.3-43173.1-175.8179.3-170.500111.9S135 T136 R137 Q142 A143 F161 R162S135-E139 WeakPolarHBondContact CA-OE2 3.45Å; S135-E139 WeakPolarHBondContact CB-OE2 3.39Å; S135-E139 PolarHBondContact N-OE2 3.27Å; S135-E139 PolarHBondContact OG-OE2 2.84Å; T136-E139 PolarHBondContact O-N 3.38Å; T136-E139 WeakPolarHBondContact OG1-CB 3.41Å; T136-E139 PolarHBondContact OG1-N 3.43Å; R137-E139 VanDerWaalsContact C-N 3.33Å; E139-Q142 PolarHBondContact O-N 2.81Å; E139-A143 PolarHBondContact O-N 2.87Å; E139-F161 HydrophobicContact CG-CD2 4.47Å; E139-F161 HydrophobicContact CG-CE2 3.56Å; E139-F161 HydrophobicContact CG-CZ 4.18Å; E139-F161 WeakPolarHBondContact O-CE2 3.49Å; E139-R162 IonicContact OE1-CZ 2.94Å; E139-R162 IonicContact OE1-NE 3.74Å; E139-R162 PolarHBondContact OE1-NE 3.17Å; E139-R162 IonicContact OE1-NH2 2.79Å; E139-R162 PolarHBondContact OE1-NH2 3.07Å
140L98.1Very high96.8Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-60-46.2173.3172.462.9000111.5V56 L104 A108 H109 A112 L116 I118 F134 T136 R137 Q142 A143 L144V56-L140 HydrophobicContact CG2-CD2 4.13Å; L104-L140 HydrophobicContact CD1-CD2 4.49Å; A108-L140 HydrophobicContact CB-CD2 3.88Å; H109-L140 HydrophobicContact CB-CB 4.34Å; A112-L140 HydrophobicContact CB-CD1 4.1Å; A112-L140 HydrophobicContact CB-CD2 3.89Å; L116-L140 HydrophobicContact CD2-CD1 3.85Å; I118-L140 HydrophobicContact CD1-CD1 3.91Å; F134-L140 HydrophobicContact CB-CB 4.16Å; F134-L140 HydrophobicContact CD1-CB 4.08Å; F134-L140 HydrophobicContact CD1-CD1 3.99Å; F134-L140 HydrophobicContact CD2-CD1 3.96Å; F134-L140 HydrophobicContact CE1-CD1 3.91Å; F134-L140 HydrophobicContact CE2-CD1 3.88Å; F134-L140 HydrophobicContact CG-CB 4.06Å; F134-L140 HydrophobicContact CG-CD1 4.01Å; F134-L140 HydrophobicContact CZ-CD1 3.86Å; T136-L140 PolarHBondContact O-N 2.81Å; T136-L140 VanDerWaalsContact O-N 3.11Å; R137-L140 PolarHBondContact O-N 2.93Å; L140-Q142 VanDerWaalsContact C-N 3.28Å; L140-Q142 PolarHBondContact O-N 3.34Å; L140-A143 PolarHBondContact O-N 3Å; L140-L144 HydrophobicContact CD1-CD1 4.45Å; L140-L144 HydrophobicContact CG-CD1 4.34Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 2.81Å
141I97.9Very high96.3Very high1 Ų129.9 Ų29.91%0.00516%0.159CC..Hα-helixtrans-61.5-40.1177.1-68.4170000110.5K97 L100 Q101 L104 R137 D138 L144 V145K97-I141 HydrophobicContact CG-CG2 4.04Å; L100-I141 HydrophobicContact CB-CD1 4.42Å; L100-I141 HydrophobicContact CB-CG1 4.16Å; L100-I141 HydrophobicContact CB-CG2 4.31Å; L100-I141 HydrophobicContact CD1-CG2 4.49Å; Q101-I141 HydrophobicContact CB-CD1 4.4Å; Q101-I141 HydrophobicContact CG-CD1 3.76Å; Q101-I141 HydrophobicContact CG-CG2 4.47Å; L104-I141 HydrophobicContact CD1-CD1 4.37Å; L104-I141 HydrophobicContact CD1-CG1 3.83Å; R137-I141 HydrophobicContact CG-CD1 4.06Å; R137-I141 WeakPolarHBondContact O-CG1 3.41Å; R137-I141 PolarHBondContact O-N 3.03Å; D138-I141 PolarHBondContact O-N 2.95Å; I141-L144 PolarHBondContact O-N 3.26Å; I141-V145 HydrophobicContact CG2-CG2 4.4Å; I141-V145 WeakPolarHBondContact O-CG2 3.24Å; I141-V145 PolarHBondContact O-N 2.85Å
142Q97.5Very high95.7Very high44 Ų4437.8 Ų37.821%0.20619%0.194CC..Hα-helixtrans-64.8-41.1178.2-168.664.911.300111.6D138 E139 L140 L144 V145 C146 E160 F161D138-Q142 VanDerWaalsContact O-CB 3.32Å; D138-Q142 WeakPolarHBondContact O-CB 3.35Å; D138-Q142 PolarHBondContact O-N 2.77Å; E139-Q142 PolarHBondContact O-N 2.81Å; L140-Q142 VanDerWaalsContact C-N 3.28Å; L140-Q142 PolarHBondContact O-N 3.34Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 2.9Å; Q142-V145 WeakPolarHBondContact O-CB 3.31Å; Q142-V145 PolarHBondContact O-N 2.88Å; Q142-C146 PolarHBondContact O-N 2.75Å; Q142-C146 PolarHBondContact O-SG 2.89Å; Q142-E160 VanDerWaalsContact CG-O 3.24Å; Q142-E160 WeakPolarHBondContact CG-O 3.48Å; Q142-E160 PolarHBondContact NE2-O 3.33Å; Q142-F161 HydrophobicContact CB-CD2 4.29Å; Q142-F161 HydrophobicContact CG-CD2 4.23Å
143A98.1Very high95.1Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-61.1-41.7172.700000112.2I118 L120 F134 E139 L140 V145 C146 T147 F161I118-A143 HydrophobicContact CD1-CB 3.9Å; L120-A143 WeakPolarHBondContact CD2-O 3.14Å; F134-A143 HydrophobicContact CD1-CB 4.43Å; F134-A143 HydrophobicContact CE1-CB 3.72Å; E139-A143 PolarHBondContact O-N 2.87Å; L140-A143 PolarHBondContact O-N 3Å; A143-V145 VanDerWaalsContact C-N 3.35Å; A143-C146 PolarHBondContact O-N 3.47Å; A143-T147 PolarHBondContact O-N 2.84Å; A143-F161 HydrophobicContact CB-CD2 4.14Å; A143-F161 HydrophobicContact CB-CE2 3.71Å; A143-F161 HydrophobicContact CB-CZ 4.08Å
144L97.8Very high94.7Very high0 Ų036.9 Ų36.90%019%0.185CC..Hα-helixtrans-64.4-38.9175-69.4167.8000111.9A52 L53 V56 L100 L104 I118 L140 I141 Q142 T147 L148A52-L144 HydrophobicContact CB-CD2 4.1Å; L53-L144 HydrophobicContact CD2-CD2 4.45Å; V56-L144 HydrophobicContact CB-CD1 4.37Å; V56-L144 HydrophobicContact CB-CD2 4.42Å; V56-L144 HydrophobicContact CG1-CD1 3.95Å; V56-L144 HydrophobicContact CG1-CD2 4.11Å; V56-L144 HydrophobicContact CG2-CD1 4.25Å; L100-L144 HydrophobicContact CD1-CB 3.92Å; L100-L144 HydrophobicContact CD1-CD1 3.9Å; L100-L144 HydrophobicContact CD2-CD1 4.27Å; L104-L144 HydrophobicContact CD1-CD1 4.31Å; I118-L144 HydrophobicContact CD1-CD2 3.8Å; I118-L144 HydrophobicContact CD1-CG 4.02Å; L140-L144 HydrophobicContact CD1-CD1 4.45Å; L140-L144 HydrophobicContact CG-CD1 4.34Å; L140-L144 WeakPolarHBondContact O-CG 3.31Å; L140-L144 PolarHBondContact O-N 2.81Å; I141-L144 PolarHBondContact O-N 3.26Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 2.9Å; L144-T147 WeakPolarHBondContact O-CG2 3.48Å; L144-T147 PolarHBondContact O-N 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.38Å; L144-L148 VanDerWaalsContact O-CD1 3.26Å; L144-L148 WeakPolarHBondContact O-CD1 3.47Å; L144-L148 VanDerWaalsContact O-CG 3.24Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.4Å
145V97.1Very high94.1Very high9 Ų937.8 Ų37.86%0.05520%0.195CC..Hα-helixtrans-62.5-44.5174.21620000110.9I93 K97 I141 Q142 A143 L148 Y149 P159I93-V145 HydrophobicContact CG2-CB 4.45Å; I93-V145 HydrophobicContact CG2-CG1 3.62Å; I93-V145 HydrophobicContact CG2-CG2 4.35Å; K97-V145 HydrophobicContact CB-CG2 3.85Å; K97-V145 HydrophobicContact CD-CG2 4.11Å; K97-V145 HydrophobicContact CG-CG2 4Å; I141-V145 HydrophobicContact CG2-CG2 4.4Å; I141-V145 WeakPolarHBondContact O-CG2 3.24Å; I141-V145 PolarHBondContact O-N 2.85Å; Q142-V145 WeakPolarHBondContact O-CB 3.31Å; Q142-V145 PolarHBondContact O-N 2.88Å; A143-V145 VanDerWaalsContact C-N 3.35Å; V145-L148 PolarHBondContact O-N 2.99Å; V145-Y149 WeakPolarHBondContact O-CB 3.25Å; V145-Y149 PolarHBondContact O-N 2.82Å; V145-P159 HydrophobicContact CG1-CB 4.06Å; V145-P159 HydrophobicContact CG1-CG 4.1Å
146C97.1Very high93.6Very high0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-61.5-47.7176.4-70.10000112.5L120 Q142 A143 L148 Y149 P159 I167 D168L120-C146 HydrophobicContact CD1-CB 4.43Å; L120-C146 HydrophobicContact CD2-CB 3.69Å; Q142-C146 PolarHBondContact O-N 2.75Å; Q142-C146 PolarHBondContact O-SG 2.89Å; A143-C146 PolarHBondContact O-N 3.47Å; C146-L148 PolarHBondContact O-N 2.63Å; C146-Y149 PolarHBondContact O-N 2.88Å; C146-Y149 VanDerWaalsContact O-N 3.16Å; C146-P159 HydrophobicContact CB-CG 4.26Å; C146-P159 VanDerWaalsContact SG-CG 3.6Å; C146-I167 CarbonylContact O-C 3.58Å; C146-D168 PolarHBondContact O-N 3.48Å
147T97.1Very high93.2Very high0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-67.9-18.9-178.3-160.80000113.5S49 A52 I118 S119 L120 A143 L144 D168 G169S49-T147 VanDerWaalsContact CA-O 3.28Å; S49-T147 WeakPolarHBondContact CA-O 3.24Å; S49-T147 PolarHBondContact N-O 2.86Å; S49-T147 PolarHBondContact N-OG1 3.3Å; A52-T147 HydrophobicContact CB-CG2 3.76Å; I118-T147 HydrophobicContact CG2-CG2 3.74Å; S119-T147 WeakPolarHBondContact O-CB 3.49Å; S119-T147 PolarHBondContact O-OG1 3.47Å; L120-T147 VanDerWaalsContact CD2-N 3.35Å; A143-T147 PolarHBondContact O-N 2.84Å; L144-T147 WeakPolarHBondContact O-CG2 3.48Å; L144-T147 PolarHBondContact O-N 3.3Å; T147-D168 VanDerWaalsContact O-CA 3.22Å; T147-D168 WeakPolarHBondContact O-CA 3.41Å; T147-G169 PolarHBondContact O-N 3.42Å
148L95.3Very high93Very high17 Ų1736.1 Ų36.19%0.08918%0.182CC..Hα-helixtrans-95.2-11.5176.8-68.9164.7000113.1S49 L53 I93 I96 L144 V145 C146 F150S49-L148 VanDerWaalsContact C-CD2 3.41Å; L53-L148 HydrophobicContact CD1-CD1 3.8Å; L53-L148 HydrophobicContact CD1-CD2 3.83Å; L53-L148 HydrophobicContact CD1-CG 4.45Å; L53-L148 HydrophobicContact CD2-CD1 3.93Å; L53-L148 HydrophobicContact CG-CD1 3.89Å; L53-L148 HydrophobicContact CG-CD2 4.16Å; I93-L148 HydrophobicContact CD1-CB 3.62Å; I93-L148 WeakPolarHBondContact CD1-O 3.26Å; I96-L148 HydrophobicContact CD1-CD1 4.26Å; I96-L148 HydrophobicContact CG2-CD1 3.78Å; L144-L148 WeakPolarHBondContact O-CB 3.38Å; L144-L148 VanDerWaalsContact O-CD1 3.26Å; L144-L148 WeakPolarHBondContact O-CD1 3.47Å; L144-L148 VanDerWaalsContact O-CG 3.24Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.4Å; V145-L148 PolarHBondContact O-N 2.99Å; C146-L148 PolarHBondContact O-N 2.63Å; L148-F150 PolarHBondContact O-N 2.94Å
149Y94.8Very high92.8Very high16 Ų1632.4 Ų32.46%0.06316%0.163CC..  trans-76.197.3-172.5-171.7-85.3000111.1I93 V145 C146 P151 C154 G155 L156 I157 P158 P159 I167 D168I93-Y149 HydrophobicContact CG1-CD2 4.27Å; V145-Y149 WeakPolarHBondContact O-CB 3.25Å; V145-Y149 PolarHBondContact O-N 2.82Å; C146-Y149 PolarHBondContact O-N 2.88Å; C146-Y149 VanDerWaalsContact O-N 3.16Å; Y149-P151 WeakPolarHBondContact O-CD 3.33Å; Y149-C154 HydrophobicContact CD2-CB 3.65Å; Y149-C154 HydrophobicContact CE2-CB 3.75Å; Y149-C154 HydrophobicContact CG-CB 4.14Å; Y149-G155 VanDerWaalsContact OH-CA 3.26Å; Y149-G155 WeakPolarHBondContact OH-CA 3.28Å; Y149-G155 PolarHBondContact OH-O 3.37Å; Y149-L156 PolarHBondContact OH-N 3.38Å; Y149-I157 VanDerWaalsContact CZ-O 3.29Å; Y149-I157 PolarHBondContact OH-N 2.67Å; Y149-I157 VanDerWaalsContact OH-N 3.16Å; Y149-I157 PolarHBondContact OH-O 3.48Å; Y149-P158 HydrophobicContact CE1-CB 4.34Å; Y149-P158 HydrophobicContact CE1-CG 4.43Å; Y149-P159 HydrophobicContact CD2-CG 4.14Å; Y149-P159 VanDerWaalsContact CG-CD 3.43Å; Y149-P159 HydrophobicContact CG-CG 4.08Å; Y149-I167 HydrophobicContact CD1-CG2 4.11Å; Y149-D168 PolarHBondContact O-N 3.46Å
150F91Very high92.7Very high67 Ų6734.9 Ų34.929%0.29418%0.175SC..  trans-85.1118.6173.4-158.9-85.4000110L148 Y153 C154 D168 L171 L228L148-F150 PolarHBondContact O-N 2.94Å; F150-Y153 HydrophobicContact CB-CD1 4.45Å; F150-Y153 PolarHBondContact O-N 3.29Å; F150-C154 PolarHBondContact N-SG 3.16Å; F150-C154 WeakPolarHBondContact O-CB 3.28Å; F150-C154 PolarHBondContact O-N 2.69Å; F150-D168 HydrophobicContact CD2-CB 4.37Å; F150-L171 HydrophobicContact CE2-CD1 4.49Å; F150-L171 HydrophobicContact CE2-CD2 3.89Å; F150-L171 HydrophobicContact CE2-CG 4.49Å; F150-L171 HydrophobicContact CZ-CD2 4.42Å; F150-L228 HydrophobicContact CD2-CD2 4.34Å; F150-L228 HydrophobicContact CE2-CD2 4.46Å; F150-L228 HydrophobicContact CG-CD2 4.42Å; F150-L228 HydrophobicContact CZ-CD1 4.48Å
151P87.1Confident92.6Very high22 Ų2235 Ų3514%0.14318%0.176CC..BIsolated β-bridgetrans-55.6144.5-177.3-25.634.7000112.6Y149 Y153 I167 L171Y149-P151 WeakPolarHBondContact O-CD 3.33Å; P151-Y153 PolarHBondContact O-N 3.44Å; P151-I167 HydrophobicContact CG-CB 3.96Å; P151-I167 HydrophobicContact CG-CD1 3.69Å; P151-I167 HydrophobicContact CG-CG1 4.41Å; P151-I167 HydrophobicContact CG-CG2 3.84Å; P151-L171 HydrophobicContact CG-CD1 4.4Å
152F84.8Confident92.4Very high167 Ų16741 Ų4173%0.73220%0.198SC*.THydrogen-bonded Turntrans65.3-26.4-177.2-48.7-75.9000115.7G155 L156F152-G155 VanDerWaalsContact CA-O 3.31Å; F152-G155 WeakPolarHBondContact CA-O 3.3Å; F152-G155 PolarHBondContact N-O 2.67Å; F152-L156 HydrophobicContact CD1-CD2 3.72Å; F152-L156 HydrophobicContact CE1-CD2 4.01Å
153Y85.2Confident92.2Very high58 Ų5841.3 Ų41.323%0.22721%0.213CC..THydrogen-bonded Turntrans-81.3-47.9174.5-177.7-92.9000111.6I85 Y90 P92 F150 P151 L228I85-Y153 HydrophobicContact CD1-CE2 3.99Å; Y90-Y153 AromaticContact CE1-CE1 3.89Å; Y90-Y153 HydrophobicContact CE1-CE1 3.89Å; Y90-Y153 HydrophobicContact CE1-CE2 4.28Å; Y90-Y153 AromaticContact CE1-CZ 3.64Å; Y90-Y153 AromaticContact CZ-CZ 3.98Å; Y90-Y153 PolarHBondContact OH-OH 2.68Å; P92-Y153 HydrophobicContact CG-CD1 4.42Å; P92-Y153 HydrophobicContact CG-CE1 3.97Å; F150-Y153 HydrophobicContact CB-CD1 4.45Å; F150-Y153 PolarHBondContact O-N 3.29Å; P151-Y153 PolarHBondContact O-N 3.44Å; Y153-L228 WeakPolarHBondContact CE2-O 3.37Å; Y153-L228 VanDerWaalsContact CZ-O 3.31Å; Y153-L228 PolarHBondContact OH-O 3.13Å
154C86.4Confident92Very high22 Ų2245.6 Ų45.615%0.14923%0.234CC..THydrogen-bonded Turntrans-87.1-28179-61.60000113I93 Y149 F150I93-C154 HydrophobicContact CG1-CB 3.56Å; I93-C154 WeakPolarHBondContact CG1-SG 3.21Å; Y149-C154 HydrophobicContact CD2-CB 3.65Å; Y149-C154 HydrophobicContact CE2-CB 3.75Å; Y149-C154 HydrophobicContact CG-CB 4.14Å; F150-C154 PolarHBondContact N-SG 3.16Å; F150-C154 WeakPolarHBondContact O-CB 3.28Å; F150-C154 PolarHBondContact O-N 2.69Å
155G86.1Confident91.8Very high23 Ų2346.3 Ų46.324%0.23724%0.236CC..BIsolated β-bridgetrans164.5-173.3-175.100000112.1Y149 F152Y149-G155 VanDerWaalsContact OH-CA 3.26Å; Y149-G155 WeakPolarHBondContact OH-CA 3.28Å; Y149-G155 PolarHBondContact OH-O 3.37Å; F152-G155 VanDerWaalsContact CA-O 3.31Å; F152-G155 WeakPolarHBondContact CA-O 3.3Å; F152-G155 PolarHBondContact N-O 2.67Å
156L84.6Confident91.8Very high137 Ų13746.3 Ų46.372%0.71724%0.235SC*.SBendtrans-100.2-36.4179-65.5174.7000113.5Y149 F152 P158Y149-L156 PolarHBondContact OH-N 3.38Å; F152-L156 HydrophobicContact CD1-CD2 3.72Å; F152-L156 HydrophobicContact CE1-CD2 4.01Å; L156-P158 WeakPolarHBondContact O-CD 3.22Å
157I89.1Confident91.7Very high44 Ų4446.8 Ų46.823%0.22624%0.238CC..SBendtrans-99.7115.2-175.8-59.8165.9000108.6Y149 W365 D372 M376Y149-I157 VanDerWaalsContact CZ-O 3.29Å; Y149-I157 PolarHBondContact OH-N 2.67Å; Y149-I157 VanDerWaalsContact OH-N 3.16Å; Y149-I157 PolarHBondContact OH-O 3.48Å; I157-W365 HydrophobicContact CD1-CZ2 3.64Å; I157-D372 HydrophobicContact CD1-CB 4.23Å; I157-D372 HydrophobicContact CG2-CB 4.41Å; I157-M376 HydrophobicContact CD1-CE 4.37Å
158P93Very high91.7Very high5 Ų547.2 Ų47.23%0.03224%0.24CC..PPolyproline II helixtrans-61.7146.3177-23.935.2000112W123 Y149 L156 R165 I167W123-P158 HydrophobicContact CB-CG 4.42Å; W123-P158 HydrophobicContact CD2-CG 4.43Å; W123-P158 HydrophobicContact CG-CG 4.01Å; Y149-P158 HydrophobicContact CE1-CB 4.34Å; Y149-P158 HydrophobicContact CE1-CG 4.43Å; L156-P158 WeakPolarHBondContact O-CD 3.22Å; P158-R165 HydrophobicContact CB-CB 4.3Å; P158-R165 WeakPolarHBondContact O-CD 3.1Å; P158-R165 PolarHBondContact O-NH1 2.89Å; P158-I167 HydrophobicContact CB-CG2 3.74Å; P158-I167 HydrophobicContact CG-CG2 3.74Å
159P94.3Very high91.6Very high18 Ų1846.4 Ų46.412%0.11724%0.236CC..PPolyproline II helixtrans-66.8150.5174.427.3-35.1000111.9V145 C146 Y149 Y166V145-P159 HydrophobicContact CG1-CB 4.06Å; V145-P159 HydrophobicContact CG1-CG 4.1Å; C146-P159 HydrophobicContact CB-CG 4.26Å; C146-P159 VanDerWaalsContact SG-CG 3.6Å; Y149-P159 HydrophobicContact CD2-CG 4.14Å; Y149-P159 VanDerWaalsContact CG-CD 3.43Å; Y149-P159 HydrophobicContact CG-CG 4.08Å; P159-Y166 WeakPolarHBondContact CD-O 3.37Å; P159-Y166 PolarHBondContact O-N 2.72Å; P159-Y166 VanDerWaalsContact O-N 3.11Å
160E94.4Very high91.4Very high82 Ų8246.6 Ų46.638%0.38324%0.24SC..EExtended strand (participates in β ladder)trans-90.9138.5176.6-164174.9124.100111.8Q142 E164 R165Q142-E160 VanDerWaalsContact CG-O 3.24Å; Q142-E160 WeakPolarHBondContact CG-O 3.48Å; Q142-E160 PolarHBondContact NE2-O 3.33Å; E160-E164 CarbonylContact C-O 3.55Å; E160-E164 WeakPolarHBondContact CA-O 3.38Å; E160-R165 IonicContact OE2-CZ 3.77Å; E160-R165 IonicContact OE2-NE 3.09Å; E160-R165 PolarHBondContact OE2-NE 2.91Å; E160-R165 IonicContact OE2-NH2 3.97Å; E160-R165 PolarHBondContact OE2-NH2 3.32Å
161F95.9Very high91.3Very high4 Ų445.7 Ų45.72%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-139.7123.4170.9177.1-100.2000108L120 F129 A131 E139 Q142 A143 G163 E164 Y166L120-F161 HydrophobicContact CD1-CD1 3.94Å; L120-F161 HydrophobicContact CD1-CE1 4.23Å; L120-F161 HydrophobicContact CD1-CG 4.48Å; F129-F161 HydrophobicContact CE1-CD1 4.45Å; F129-F161 AromaticContact CE1-CE1 3.91Å; F129-F161 HydrophobicContact CE1-CE1 3.91Å; A131-F161 HydrophobicContact CB-CE1 4.22Å; A131-F161 HydrophobicContact CB-CZ 4.28Å; E139-F161 HydrophobicContact CG-CD2 4.47Å; E139-F161 HydrophobicContact CG-CE2 3.56Å; E139-F161 HydrophobicContact CG-CZ 4.18Å; E139-F161 WeakPolarHBondContact O-CE2 3.49Å; Q142-F161 HydrophobicContact CB-CD2 4.29Å; Q142-F161 HydrophobicContact CG-CD2 4.23Å; A143-F161 HydrophobicContact CB-CD2 4.14Å; A143-F161 HydrophobicContact CB-CE2 3.71Å; A143-F161 HydrophobicContact CB-CZ 4.08Å; F161-G163 VanDerWaalsContact C-N 3.28Å; F161-G163 PolarHBondContact O-N 3.34Å; F161-E164 PolarHBondContact N-O 3.18Å; F161-E164 PolarHBondContact O-N 2.99Å; F161-E164 VanDerWaalsContact O-N 3.1Å; F161-E164 VanDerWaalsContact O-O 3.1Å; F161-Y166 HydrophobicContact CB-CD2 3.73Å; F161-Y166 HydrophobicContact CB-CE2 3.97Å; F161-Y166 HydrophobicContact CD1-CD2 4.39Å; F161-Y166 HydrophobicContact CD1-CE2 4Å; F161-Y166 HydrophobicContact CG-CE2 4.5Å; F161-Y166 VanDerWaalsContact O-CE2 3.29Å; F161-Y166 WeakPolarHBondContact O-CE2 3.29Å
162R94.6Very high91.3Very high125 Ų12545.6 Ų45.647%0.47224%0.238SC..THydrogen-bonded Turntrans52.140.4-179.2-60.3-176.4173-179.4-2114.6D133 E139 E164D133-R162 PolarHBondContact O-NH2 3.34Å; E139-R162 IonicContact OE1-CZ 2.94Å; E139-R162 IonicContact OE1-NE 3.74Å; E139-R162 PolarHBondContact OE1-NE 3.17Å; E139-R162 IonicContact OE1-NH2 2.79Å; E139-R162 PolarHBondContact OE1-NH2 3.07Å; R162-E164 PolarHBondContact O-N 3.15Å
163G91.6Very high91.5Very high51 Ų5138.4 Ų38.453%0.52621%0.207SC..THydrogen-bonded Turntrans80.2-3.217800000115.2F161F161-G163 VanDerWaalsContact C-N 3.28Å; F161-G163 PolarHBondContact O-N 3.34Å
164E93.9Very high91.7Very high91 Ų9135.9 Ų35.943%0.42520%0.198SC..EExtended strand (participates in β ladder)trans-117.5157.8179.4-67.5-69.9154.800110.6E160 F161 R162 Y166E160-E164 CarbonylContact C-O 3.55Å; E160-E164 WeakPolarHBondContact CA-O 3.38Å; F161-E164 PolarHBondContact N-O 3.18Å; F161-E164 PolarHBondContact O-N 2.99Å; F161-E164 VanDerWaalsContact O-N 3.1Å; F161-E164 VanDerWaalsContact O-O 3.1Å; R162-E164 PolarHBondContact O-N 3.15Å; E164-Y166 HydrophobicContact CB-CD2 4.41Å; E164-Y166 HydrophobicContact CB-CE2 3.56Å; E164-Y166 WeakPolarHBondContact O-CD2 3.19Å
165R94.8Very high91.7Very high14 Ų1434.9 Ų34.95%0.05319%0.191CC..EExtended strand (participates in β ladder)trans-100.9134.3-176.5-65.5-73.8168.4140.71.7110.4W123 P158 E160 D372 W375W123-R165 PolarHBondContact N-O 3.31Å; P158-R165 HydrophobicContact CB-CB 4.3Å; P158-R165 WeakPolarHBondContact O-CD 3.1Å; P158-R165 PolarHBondContact O-NH1 2.89Å; E160-R165 IonicContact OE2-CZ 3.77Å; E160-R165 IonicContact OE2-NE 3.09Å; E160-R165 PolarHBondContact OE2-NE 2.91Å; E160-R165 IonicContact OE2-NH2 3.97Å; E160-R165 PolarHBondContact OE2-NH2 3.32Å; R165-D372 IonicContact CZ-OD1 3.34Å; R165-D372 IonicContact NH1-OD1 2.75Å; R165-D372 PolarHBondContact NH1-OD1 2.68Å; R165-D372 IonicContact NH2-OD1 3.23Å; R165-D372 PolarHBondContact NH2-OD1 3.26Å; R165-W375 HydrophobicContact CB-CZ2 4.48Å; R165-W375 HydrophobicContact CG-CD2 4.26Å; R165-W375 HydrophobicContact CG-CG 4.46Å; R165-W375 HydrophobicContact CG-CZ2 4.3Å
166Y96.6Very high91.7Very high10 Ų1033.8 Ų33.84%0.03918%0.18CC..EExtended strand (participates in β ladder)trans-133.2148.8-174.9-64.7-88.6000112.4L120 T121 R122 F129 P159 F161 E164L120-Y166 HydrophobicContact CB-CD1 3.55Å; L120-Y166 HydrophobicContact CB-CE1 4.13Å; L120-Y166 HydrophobicContact CB-CG 4.13Å; L120-Y166 HydrophobicContact CD1-CD1 4.24Å; L120-Y166 HydrophobicContact CD1-CG 4.23Å; L120-Y166 HydrophobicContact CG-CD1 4.5Å; T121-Y166 CarbonylContact O-C 3.57Å; T121-Y166 VanDerWaalsContact O-CA 3.31Å; T121-Y166 WeakPolarHBondContact O-CA 3.41Å; R122-Y166 HydrophobicContact CB-CD1 4.06Å; R122-Y166 HydrophobicContact CB-CE1 3.81Å; R122-Y166 HydrophobicContact CG-CE1 4.23Å; F129-Y166 HydrophobicContact CB-CE1 3.65Å; F129-Y166 HydrophobicContact CD1-CE1 4.07Å; F129-Y166 AromaticContact CG-CE1 3.99Å; F129-Y166 HydrophobicContact CG-CE1 3.99Å; P159-Y166 WeakPolarHBondContact CD-O 3.37Å; P159-Y166 PolarHBondContact O-N 2.72Å; P159-Y166 VanDerWaalsContact O-N 3.11Å; F161-Y166 HydrophobicContact CB-CD2 3.73Å; F161-Y166 HydrophobicContact CB-CE2 3.97Å; F161-Y166 HydrophobicContact CD1-CD2 4.39Å; F161-Y166 HydrophobicContact CD1-CE2 4Å; F161-Y166 HydrophobicContact CG-CE2 4.5Å; F161-Y166 VanDerWaalsContact O-CE2 3.29Å; F161-Y166 WeakPolarHBondContact O-CE2 3.29Å; E164-Y166 HydrophobicContact CB-CD2 4.41Å; E164-Y166 HydrophobicContact CB-CE2 3.56Å; E164-Y166 WeakPolarHBondContact O-CD2 3.19Å
167I95.7Very high91.7Very high9 Ų932 Ų325%0.04617%0.166CC..EExtended strand (participates in β ladder)trans-124.5-179.6174.566.9173.3000109.3T121 W123 C146 Y149 P151 P158 G169 L171T121-I167 HydrophobicContact CG2-CD1 4.15Å; T121-I167 HydrophobicContact CG2-CG1 3.86Å; T121-I167 PolarHBondContact N-O 3.23Å; T121-I167 VanDerWaalsContact N-O 3.13Å; T121-I167 PolarHBondContact O-N 3.33Å; W123-I167 HydrophobicContact CB-CG2 4.2Å; W123-I167 HydrophobicContact CE3-CD1 3.67Å; W123-I167 HydrophobicContact CE3-CG2 4.33Å; W123-I167 HydrophobicContact CG-CG2 4.5Å; W123-I167 HydrophobicContact CZ3-CD1 4.07Å; C146-I167 CarbonylContact O-C 3.58Å; Y149-I167 HydrophobicContact CD1-CG2 4.11Å; P151-I167 HydrophobicContact CG-CB 3.96Å; P151-I167 HydrophobicContact CG-CD1 3.69Å; P151-I167 HydrophobicContact CG-CG1 4.41Å; P151-I167 HydrophobicContact CG-CG2 3.84Å; P158-I167 HydrophobicContact CB-CG2 3.74Å; P158-I167 HydrophobicContact CG-CG2 3.74Å; I167-G169 PolarHBondContact O-N 2.84Å; I167-L171 HydrophobicContact CD1-CD1 3.55Å; I167-L171 HydrophobicContact CG1-CD1 4.06Å
168D95.8Very high91.3Very high9 Ų931.3 Ų31.35%0.04817%0.168CC..EExtended strand (participates in β ladder)trans-47.3127-174.4-168.9-48.7000112.5S49 T121 C146 T147 Y149 F150 A170 L171S49-D168 WeakPolarHBondContact CB-OD1 3.31Å; S49-D168 VanDerWaalsContact CB-OD2 3.28Å; S49-D168 WeakPolarHBondContact CB-OD2 3.17Å; S49-D168 PolarHBondContact OG-OD2 3.01Å; T121-D168 VanDerWaalsContact CB-O 3.31Å; T121-D168 WeakPolarHBondContact CB-O 3.33Å; T121-D168 PolarHBondContact OG1-O 3.09Å; C146-D168 PolarHBondContact O-N 3.48Å; T147-D168 VanDerWaalsContact O-CA 3.22Å; T147-D168 WeakPolarHBondContact O-CA 3.41Å; Y149-D168 PolarHBondContact O-N 3.46Å; F150-D168 HydrophobicContact CD2-CB 4.37Å; D168-A170 PolarHBondContact O-N 3.23Å; D168-A170 WeakPolarHBondContact OD1-CA 3.28Å; D168-A170 WeakPolarHBondContact OD1-CB 3.13Å; D168-A170 PolarHBondContact OD1-N 3.23Å; D168-L171 HydrophobicContact CB-CD1 4.18Å; D168-L171 HydrophobicContact CB-CG 4.28Å; D168-L171 WeakPolarHBondContact O-CB 3.27Å; D168-L171 PolarHBondContact O-N 3.49Å; D168-L171 VanDerWaalsContact O-N 3.15Å
169G93.3Very high90.5Very high0 Ų038.2 Ų38.20%020%0.204CC..G310 helixtrans-63.5-25.8-177.100000113.9S119 T147 I167 L171 S172 N173S119-G169 VanDerWaalsContact O-CA 3.24Å; S119-G169 WeakPolarHBondContact O-CA 2.97Å; S119-G169 PolarHBondContact OG-O 3.05Å; T147-G169 PolarHBondContact O-N 3.42Å; I167-G169 PolarHBondContact O-N 2.84Å; G169-L171 PolarHBondContact O-N 2.83Å; G169-S172 PolarHBondContact O-N 3.23Å; G169-N173 CarbonylContact O-C 3.45Å; G169-N173 VanDerWaalsContact O-C 3.29Å; G169-N173 PolarHBondContact O-N 2.94Å; G169-N173 VanDerWaalsContact O-O 3.12Å
170A90.3Very high90Very high20 Ų2039.3 Ų39.317%0.16521%0.212CC..G310 helixtrans-63.6-19.5176.900000113.2D168 S172 N174 F210D168-A170 PolarHBondContact O-N 3.23Å; D168-A170 WeakPolarHBondContact OD1-CA 3.28Å; D168-A170 WeakPolarHBondContact OD1-CB 3.13Å; D168-A170 PolarHBondContact OD1-N 3.23Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 3.44Å; A170-N174 HydrophobicContact CB-CB 4.18Å; A170-N174 WeakPolarHBondContact CB-OD1 3.48Å; A170-F210 VanDerWaalsContact O-CB 3.25Å; A170-F210 WeakPolarHBondContact O-CB 3.44Å; A170-F210 WeakPolarHBondContact O-CG 3.43Å
171L89.3Confident89.3Confident49 Ų4941 Ų4126%0.25723%0.23SC..G310 helixtrans-81.4-4.8179.3-60.6174.8000114.1T121 F150 P151 I167 D168 G169 F210T121-L171 HydrophobicContact CG2-CB 4.31Å; F150-L171 HydrophobicContact CE2-CD1 4.49Å; F150-L171 HydrophobicContact CE2-CD2 3.89Å; F150-L171 HydrophobicContact CE2-CG 4.49Å; F150-L171 HydrophobicContact CZ-CD2 4.42Å; P151-L171 HydrophobicContact CG-CD1 4.4Å; I167-L171 HydrophobicContact CD1-CD1 3.55Å; I167-L171 HydrophobicContact CG1-CD1 4.06Å; D168-L171 HydrophobicContact CB-CD1 4.18Å; D168-L171 HydrophobicContact CB-CG 4.28Å; D168-L171 WeakPolarHBondContact O-CB 3.27Å; D168-L171 PolarHBondContact O-N 3.49Å; D168-L171 VanDerWaalsContact O-N 3.15Å; G169-L171 PolarHBondContact O-N 2.83Å; L171-F210 WeakPolarHBondContact O-CD1 3.35Å; L171-F210 WeakPolarHBondContact O-CE1 3.46Å
172S88.3Confident88.8Confident19 Ų1942.7 Ų42.713%0.13324%0.242CC..THydrogen-bonded Turntrans-131.2-40.5172.857.90000112.1T121 G126 N128 G169 A170 F210T121-S172 WeakPolarHBondContact CB-OG 3.21Å; T121-S172 VanDerWaalsContact OG1-CB 3.3Å; T121-S172 WeakPolarHBondContact OG1-CB 3.48Å; T121-S172 PolarHBondContact OG1-N 3.09Å; T121-S172 VanDerWaalsContact OG1-N 3.16Å; T121-S172 PolarHBondContact OG1-OG 3.02Å; G126-S172 WeakPolarHBondContact O-CB 3.44Å; N128-S172 WeakPolarHBondContact CA-OG 3.48Å; N128-S172 WeakPolarHBondContact CB-OG 3.34Å; N128-S172 PolarHBondContact ND2-OG 3.15Å; G169-S172 PolarHBondContact O-N 3.23Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 3.44Å; S172-F210 WeakPolarHBondContact O-CA 3.45Å
173N88Confident88.6Confident16 Ų1636.9 Ų36.99%0.08622%0.221CC..  trans-150.990.7-179.9-174.16.1000109.8S119 N128 G169 L175 F210 N211S119-N173 WeakPolarHBondContact CB-O 3.25Å; S119-N173 PolarHBondContact OG-O 3.1Å; N128-N173 HydrophobicContact CB-CB 4.07Å; N128-N173 VanDerWaalsContact ND2-CB 3.34Å; N128-N173 WeakPolarHBondContact ND2-CB 3.42Å; N128-N173 WeakPolarHBondContact OD1-CB 3.45Å; N128-N173 PolarHBondContact OD1-ND2 3.12Å; G169-N173 CarbonylContact O-C 3.45Å; G169-N173 VanDerWaalsContact O-C 3.29Å; G169-N173 PolarHBondContact O-N 2.94Å; G169-N173 VanDerWaalsContact O-O 3.12Å; N173-L175 PolarHBondContact OD1-O 3.3Å; N173-F210 CarbonylContact C-O 3.52Å; N173-F210 WeakPolarHBondContact CA-O 3.29Å; N173-N211 VanDerWaalsContact OD1-CB 3.28Å; N173-N211 WeakPolarHBondContact OD1-CB 3.31Å; N173-N211 PolarHBondContact OD1-ND2 3.33Å
174N89.8Confident88.7Confident5 Ų534.5 Ų34.53%0.02720%0.196CC..SBendtrans-69.9-35.4-177.1-165.330.6000112.5A15 G16 S48 A170 F210 A212A15-N174 WeakPolarHBondContact CA-O 3.3Å; G16-N174 WeakPolarHBondContact CA-OD1 3.47Å; G16-N174 PolarHBondContact N-OD1 3.36Å; G16-N174 PolarHBondContact O-OD1 2.78Å; S48-N174 WeakPolarHBondContact OG-CA 3.38Å; S48-N174 PolarHBondContact OG-O 2.87Å; S48-N174 PolarHBondContact OG-OD1 3.31Å; A170-N174 HydrophobicContact CB-CB 4.18Å; A170-N174 WeakPolarHBondContact CB-OD1 3.48Å; N174-F210 HydrophobicContact CB-CB 4.49Å; N174-F210 PolarHBondContact N-O 2.83Å; N174-A212 HydrophobicContact CB-CB 4.01Å
175L87.1Confident88.6Confident2 Ų230.4 Ų30.41%0.0118%0.177CC..SBendtrans-129.684.7-176.7-16869.6000109.7S13 A15 N173 F177 A178 T185 V193 A212S13-L175 WeakPolarHBondContact O-CD1 3.23Å; A15-L175 HydrophobicContact CB-CD1 4.12Å; N173-L175 PolarHBondContact OD1-O 3.3Å; L175-F177 PolarHBondContact O-N 3.36Å; L175-A178 HydrophobicContact CB-CB 4.22Å; L175-A178 HydrophobicContact CD2-CB 3.71Å; L175-A178 HydrophobicContact CG-CB 3.93Å; L175-A178 WeakPolarHBondContact O-CB 3.24Å; L175-A178 PolarHBondContact O-N 3.39Å; L175-T185 HydrophobicContact CD1-CG2 4.4Å; L175-T185 HydrophobicContact CD2-CG2 3.76Å; L175-T185 HydrophobicContact CG-CG2 4.1Å; L175-V193 HydrophobicContact CD2-CG1 3.58Å; L175-A212 HydrophobicContact CB-CB 4.44Å
176P85.5Confident88.7Confident0 Ų029.8 Ų29.80%018%0.175CC..THydrogen-bonded Turntrans-58.1135.2-177.8-25.334.7000112.1S13 Y46 L130 A178S13-P176 VanDerWaalsContact CB-O 3.28Å; S13-P176 WeakPolarHBondContact CB-O 3.25Å; S13-P176 WeakPolarHBondContact OG-CD 3.32Å; S13-P176 PolarHBondContact OG-O 3.05Å; Y46-P176 HydrophobicContact CG-CB 4.28Å; L130-P176 HydrophobicContact CD1-CB 4.3Å; L130-P176 HydrophobicContact CD1-CG 4.32Å; P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 2.92Å
177F85.1Confident88.5Confident98 Ų9829.6 Ų29.643%0.4318%0.175SC..THydrogen-bonded Turntrans58.831.4-179.2-56.8-81.9000114.9Y46 L130 L175 D179 C180 T183Y46-F177 HydrophobicContact CD1-CD2 4.16Å; Y46-F177 HydrophobicContact CD1-CE2 4.18Å; Y46-F177 AromaticContact CD2-CD2 3.93Å; Y46-F177 HydrophobicContact CD2-CD2 3.93Å; Y46-F177 AromaticContact CE1-CD2 3.9Å; Y46-F177 HydrophobicContact CE1-CD2 3.9Å; Y46-F177 AromaticContact CE1-CE2 3.62Å; Y46-F177 HydrophobicContact CE1-CE2 3.62Å; Y46-F177 AromaticContact CE2-CD2 3.59Å; Y46-F177 HydrophobicContact CE2-CD2 3.59Å; Y46-F177 HydrophobicContact CE2-CE2 4.06Å; Y46-F177 HydrophobicContact CE2-CG 4.39Å; Y46-F177 HydrophobicContact CG-CD2 4.19Å; Y46-F177 AromaticContact CZ-CD2 3.58Å; Y46-F177 AromaticContact CZ-CE2 3.53Å; L130-F177 HydrophobicContact CD2-CE2 3.59Å; L130-F177 HydrophobicContact CD2-CZ 4.15Å; L175-F177 PolarHBondContact O-N 3.36Å; F177-D179 VanDerWaalsContact C-N 3.27Å; F177-D179 PolarHBondContact O-N 2.9Å; F177-C180 HydrophobicContact CB-CB 4.14Å; F177-C180 VanDerWaalsContact O-CB 3.3Å; F177-C180 WeakPolarHBondContact O-CB 3.24Å; F177-C180 PolarHBondContact O-N 3.46Å; F177-C180 VanDerWaalsContact O-N 3.15Å; F177-T183 WeakPolarHBondContact O-CB 3.46Å; F177-T183 PolarHBondContact O-OG1 2.63Å
178A79.5Confident88.2Confident31 Ų3129.4 Ų29.426%0.25617%0.174SC..THydrogen-bonded Turntrans-55.9-39175.700000113.4L175 P176 C180 T185L175-A178 HydrophobicContact CB-CB 4.22Å; L175-A178 HydrophobicContact CD2-CB 3.71Å; L175-A178 HydrophobicContact CG-CB 3.93Å; L175-A178 WeakPolarHBondContact O-CB 3.24Å; L175-A178 PolarHBondContact O-N 3.39Å; P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 2.92Å; A178-C180 PolarHBondContact O-N 3.04Å; A178-T185 HydrophobicContact CB-CG2 4.41Å
179D77.8Confident87.8Confident149 Ų14929.7 Ų29.780%0.79718%0.175SC*.THydrogen-bonded Turntrans-76.7-6-178-54.7-42.8000113.6F177 P181F177-D179 VanDerWaalsContact C-N 3.27Å; F177-D179 PolarHBondContact O-N 2.9Å; D179-P181 WeakPolarHBondContact O-CD 3.31Å
180C82.2Confident87.2Confident41 Ų4130.8 Ų30.828%0.27718%0.18SC..  trans-81.4119.8-176.3-169.90000109.9F177 A178 S182 T183F177-C180 HydrophobicContact CB-CB 4.14Å; F177-C180 VanDerWaalsContact O-CB 3.3Å; F177-C180 WeakPolarHBondContact O-CB 3.24Å; F177-C180 PolarHBondContact O-N 3.46Å; F177-C180 VanDerWaalsContact O-N 3.15Å; A178-C180 PolarHBondContact O-N 3.04Å; C180-S182 PolarHBondContact O-N 3.27Å; C180-S182 PolarHBondContact SG-OG 3.13Å; C180-T183 PolarHBondContact O-N 3.46Å
181P80.8Confident86.6Confident117 Ų11730.5 Ų30.576%0.7618%0.179SC*.THydrogen-bonded Turntrans-62.1-17.1-178-23.834.1000114.1F3 D179F3-P181 WeakPolarHBondContact CD2-O 3.46Å; F3-P181 WeakPolarHBondContact CE2-O 3.4Å; D179-P181 WeakPolarHBondContact O-CD 3.31Å
182S85.6Confident85.9Confident40 Ų4032.2 Ų32.228%0.2819%0.192SC..THydrogen-bonded Turntrans-93.512.6176.763.60000113.3S9 W10 N11 C180S9-S182 WeakPolarHBondContact O-CB 3.47Å; W10-S182 CarbonylContact C-O 2.89Å; W10-S182 WeakPolarHBondContact CA-O 3.48Å; W10-S182 VanDerWaalsContact CB-O 3.22Å; W10-S182 WeakPolarHBondContact CB-O 3.36Å; N11-S182 PolarHBondContact N-O 3.39Å; C180-S182 PolarHBondContact O-N 3.27Å; C180-S182 PolarHBondContact SG-OG 3.13Å
183T89.9Confident85.7Confident4 Ų432.1 Ų32.13%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-115.9121.6-179.9-61.50000110N11 F177 C180 T185N11-T183 HydrophobicContact CB-CG2 4.25Å; N11-T183 CarbonylContact O-C 3.56Å; N11-T183 WeakPolarHBondContact O-CA 3.46Å; F177-T183 WeakPolarHBondContact O-CB 3.46Å; F177-T183 PolarHBondContact O-OG1 2.63Å; C180-T183 PolarHBondContact O-N 3.46Å; T183-T185 HydrophobicContact CG2-CG2 4.29Å
184I92.8Very high85.7Confident0 Ų033.6 Ų33.60%020%0.199CC..EExtended strand (participates in β ladder)trans-81.7123.9171.2-58.6171.1000108.3F3 L4 N11 L12 S13 L38 D194 I195 F250F3-I184 HydrophobicContact CZ-CG1 3.99Å; L4-I184 HydrophobicContact CD2-CD1 4.13Å; N11-I184 PolarHBondContact O-N 2.91Å; L12-I184 CarbonylContact C-O 3.51Å; L12-I184 WeakPolarHBondContact CA-O 3.25Å; L12-I184 HydrophobicContact CG-CB 4.47Å; S13-I184 PolarHBondContact N-O 3.38Å; L38-I184 HydrophobicContact CD2-CD1 4.26Å; I184-D194 HydrophobicContact CG2-CB 4.27Å; I184-I195 HydrophobicContact CG2-CD1 4.23Å; I184-F250 HydrophobicContact CD1-CE1 4.34Å; I184-F250 HydrophobicContact CD1-CZ 4.3Å; I184-F250 HydrophobicContact CG1-CZ 4.26Å; I184-F250 HydrophobicContact CG2-CE1 4.11Å; I184-F250 HydrophobicContact CG2-CZ 3.93Å
185T93.4Very high85.8Confident6 Ų633.4 Ų33.44%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-105.1137.6-173.951.40000112.9L175 A178 T183 V193 D194 I195L175-T185 HydrophobicContact CD1-CG2 4.4Å; L175-T185 HydrophobicContact CD2-CG2 3.76Å; L175-T185 HydrophobicContact CG-CG2 4.1Å; A178-T185 HydrophobicContact CB-CG2 4.41Å; T183-T185 HydrophobicContact CG2-CG2 4.29Å; T185-V193 WeakPolarHBondContact OG1-CB 3.2Å; T185-D194 PolarHBondContact N-OD2 2.64Å; T185-D194 WeakPolarHBondContact O-CB 3.3Å; T185-D194 PolarHBondContact OG1-N 2.85Å; T185-D194 PolarHBondContact OG1-OD2 3Å; T185-I195 PolarHBondContact O-N 3.28Å
186V95.1Very high85.9Confident0 Ų033.5 Ų33.50%020%0.198CC..EExtended strand (participates in β ladder)trans-129.3124.6-178.4-169.20000110.5S13 F14 A15 Y23 H24 A27 I195S13-V186 PolarHBondContact O-N 3.34Å; F14-V186 HydrophobicContact CD1-CB 3.65Å; F14-V186 HydrophobicContact CD1-CG1 4.04Å; F14-V186 HydrophobicContact CD1-CG2 3.93Å; F14-V186 HydrophobicContact CE1-CB 3.93Å; F14-V186 HydrophobicContact CE1-CG1 4.18Å; F14-V186 HydrophobicContact CE1-CG2 3.72Å; A15-V186 PolarHBondContact N-O 3.17Å; Y23-V186 HydrophobicContact CD1-CG1 4.35Å; Y23-V186 HydrophobicContact CE1-CG1 4.04Å; H24-V186 PolarHBondContact CE1-O 2.63Å; A27-V186 HydrophobicContact CB-CG1 3.93Å; V186-I195 WeakPolarHBondContact CA-O 3.5Å; V186-I195 HydrophobicContact CB-CB 4.43Å; V186-I195 HydrophobicContact CG1-CB 4.16Å; V186-I195 HydrophobicContact CG1-CG2 4.12Å; V186-I195 HydrophobicContact CG2-CB 4.18Å; V186-I195 HydrophobicContact CG2-CD1 4.07Å; V186-I195 HydrophobicContact CG2-CG1 4.48Å
187S93Very high85.9Confident6 Ų634.3 Ų34.34%0.04220%0.203CC..  trans-146.2134.8179.2-172.60000112.1Y23 F189 I195 C196 P197Y23-S187 WeakPolarHBondContact CE1-O 3.44Å; S187-F189 PolarHBondContact O-N 3.43Å; S187-F189 WeakPolarHBondContact OG-CD2 3.33Å; S187-F189 PolarHBondContact OG-N 3.38Å; S187-I195 PolarHBondContact N-O 2.87Å; S187-C196 VanDerWaalsContact O-CA 3.23Å; S187-C196 WeakPolarHBondContact O-CA 3.41Å; S187-C196 WeakPolarHBondContact O-CB 3.46Å; S187-P197 WeakPolarHBondContact O-CD 3.19Å
188P89.3Confident85.4Confident5 Ų533.1 Ų33.13%0.03220%0.199CC..SBendtrans-75.6-5.6171.529-30.9000113.4A17 L20 Y23 P197 L223A17-P188 HydrophobicContact CB-CG 3.22Å; L20-P188 HydrophobicContact CB-CB 4.22Å; L20-P188 HydrophobicContact CB-CG 4.15Å; Y23-P188 HydrophobicContact CD1-CB 3.87Å; Y23-P188 HydrophobicContact CD2-CB 4.08Å; Y23-P188 HydrophobicContact CG-CB 3.62Å; P188-P197 WeakPolarHBondContact O-CG 3.45Å; P188-L223 WeakPolarHBondContact O-CD1 3.46Å
189F87Confident84.7Confident15 Ų1533 Ų337%0.06620%0.196CC..SBendtrans-89.7146.2178.2-58.5-79.2000110.7G16 A17 L20 S187 G191 C196 F214 L223G16-F189 WeakPolarHBondContact O-CE2 3.42Å; A17-F189 HydrophobicContact CB-CE2 3.89Å; A17-F189 HydrophobicContact CB-CZ 4.26Å; L20-F189 HydrophobicContact CD1-CE1 4.45Å; S187-F189 PolarHBondContact O-N 3.43Å; S187-F189 WeakPolarHBondContact OG-CD2 3.33Å; S187-F189 PolarHBondContact OG-N 3.38Å; F189-G191 PolarHBondContact O-N 3.09Å; F189-C196 VanDerWaalsContact O-CB 3.31Å; F189-C196 WeakPolarHBondContact O-CB 3.38Å; F189-F214 HydrophobicContact CB-CD1 3.97Å; F189-F214 HydrophobicContact CB-CE1 4.07Å; F189-F214 HydrophobicContact CD1-CE1 4.34Å; F189-F214 HydrophobicContact CD2-CD1 4.45Å; F189-F214 AromaticContact CD2-CE1 3.71Å; F189-F214 HydrophobicContact CD2-CE1 3.71Å; F189-F214 HydrophobicContact CE2-CE1 4.21Å; F189-F214 HydrophobicContact CG-CD1 4.1Å; F189-F214 AromaticContact CG-CE1 3.77Å; F189-F214 HydrophobicContact CG-CE1 3.77Å; F189-L223 HydrophobicContact CD1-CB 3.79Å; F189-L223 HydrophobicContact CD1-CD1 4.27Å; F189-L223 HydrophobicContact CE1-CB 3.81Å
190H81.6Confident83.6Confident23 Ų2331.3 Ų31.311%0.10619%0.192CC..SBendtrans-66.9126.6176.5-57.476.2000109.4Q198 Q215 N220 L223H190-Q198 PolarHBondContact CD2-O 2.95Å; H190-Q215 PolarHBondContact O-N 3.14Å; H190-N220 WeakPolarHBondContact CB-OD1 3.44Å; H190-N220 PolarHBondContact N-OD1 3.36Å; H190-N220 PolarHBondContact ND1-OD1 3.38Å; H190-N220 PolarHBondContact O-ND2 3.2Å; H190-L223 WeakPolarHBondContact ND1-CD1 3.49Å
191G76.9Confident82.2Confident14 Ų1431.9 Ų31.914%0.14420%0.196CC..SBendtrans-168.9-160.7-17100000113.3F189F189-G191 PolarHBondContact O-N 3.09Å
192T74.4Confident80.5Confident85 Ų8531.8 Ų31.852%0.52120%0.195SC..SBendtrans-106.25.6178.349.10000112.7E206 S213T192-E206 VanDerWaalsContact CG2-OE1 3.27Å; T192-E206 WeakPolarHBondContact CG2-OE1 3.41Å; T192-E206 PolarHBondContact OG1-OE1 3.15Å; T192-S213 VanDerWaalsContact OG1-CB 3.3Å; T192-S213 WeakPolarHBondContact OG1-CB 3.37Å; T192-S213 PolarHBondContact OG1-OG 3.17Å
193V84.2Confident78.6Confident18 Ų1835.6 Ų35.611%0.10921%0.213CC..SBendtrans-67.2160.1176.9-570000111.5L175 T185 I195 C196L175-V193 HydrophobicContact CD2-CG1 3.58Å; T185-V193 WeakPolarHBondContact OG1-CB 3.2Å; V193-I195 PolarHBondContact O-N 3.34Å; V193-C196 HydrophobicContact CG2-CB 3.3Å; V193-C196 VanDerWaalsContact CG2-SG 3.52Å
194D88.1Confident76.6Confident47 Ų4741.5 Ų41.525%0.25124%0.244SC..SBendtrans-61.2-45.9-174.4-67.1-67.5000113I184 T185 F250 R254I184-D194 HydrophobicContact CG2-CB 4.27Å; T185-D194 PolarHBondContact N-OD2 2.64Å; T185-D194 WeakPolarHBondContact O-CB 3.3Å; T185-D194 PolarHBondContact OG1-N 2.85Å; T185-D194 PolarHBondContact OG1-OD2 3Å; D194-F250 HydrophobicContact CB-CD2 3.83Å; D194-F250 HydrophobicContact CB-CE2 3.59Å; D194-F250 HydrophobicContact CB-CZ 4.4Å; D194-R254 IonicContact OD1-NH2 3.98Å
195I92.6Very high74.6Confident0 Ų047.9 Ų47.90%027%0.273CS..BIsolated β-bridgetrans-119.995.9-180-53.9179.6000108.9Y23 A27 L31 I184 T185 V186 S187 V193 D246 A247 F250Y23-I195 HydrophobicContact CE1-CG2 4.47Å; A27-I195 HydrophobicContact CB-CG2 4.22Å; L31-I195 HydrophobicContact CD1-CD1 4.24Å; L31-I195 HydrophobicContact CD2-CD1 4.34Å; I184-I195 HydrophobicContact CG2-CD1 4.23Å; T185-I195 PolarHBondContact O-N 3.28Å; V186-I195 WeakPolarHBondContact CA-O 3.5Å; V186-I195 HydrophobicContact CB-CB 4.43Å; V186-I195 HydrophobicContact CG1-CB 4.16Å; V186-I195 HydrophobicContact CG1-CG2 4.12Å; V186-I195 HydrophobicContact CG2-CB 4.18Å; V186-I195 HydrophobicContact CG2-CD1 4.07Å; V186-I195 HydrophobicContact CG2-CG1 4.48Å; S187-I195 PolarHBondContact N-O 2.87Å; V193-I195 PolarHBondContact O-N 3.34Å; I195-D246 HydrophobicContact CG2-CB 4.09Å; I195-A247 HydrophobicContact CD1-CB 4.1Å; I195-A247 HydrophobicContact CG2-CB 4.06Å; I195-F250 HydrophobicContact CD1-CB 4.34Å; I195-F250 HydrophobicContact CD1-CD1 3.96Å; I195-F250 HydrophobicContact CD1-CG 4.16Å; I195-F250 HydrophobicContact CG1-CB 3.78Å; I195-F250 HydrophobicContact CG1-CD1 4.06Å; I195-F250 HydrophobicContact CG1-CD2 4.2Å; I195-F250 HydrophobicContact CG1-CG 3.74Å
196C89.9Confident72.7Confident5 Ų552 Ų523%0.03429%0.292CS..SBendtrans-149.7165.8171.162.80000113.2Y23 S187 F189 V193 R249Y23-C196 VanDerWaalsContact OH-C 3.29Å; Y23-C196 WeakPolarHBondContact OH-CA 3.32Å; S187-C196 VanDerWaalsContact O-CA 3.23Å; S187-C196 WeakPolarHBondContact O-CA 3.41Å; S187-C196 WeakPolarHBondContact O-CB 3.46Å; F189-C196 VanDerWaalsContact O-CB 3.31Å; F189-C196 WeakPolarHBondContact O-CB 3.38Å; V193-C196 HydrophobicContact CG2-CB 3.3Å; V193-C196 VanDerWaalsContact CG2-SG 3.52Å; C196-R249 PolarHBondContact O-NH2 2.86Å
197P85.6Confident70.5Confident16 Ų1656.7 Ų56.710%0.10432%0.316CS..PPolyproline II helixtrans-61.5140.3168-21.735000111.2Y23 S187 P188 D246Y23-P197 HydrophobicContact CE2-CG 3.86Å; Y23-P197 WeakPolarHBondContact OH-CD 3.35Å; S187-P197 WeakPolarHBondContact O-CD 3.19Å; P188-P197 WeakPolarHBondContact O-CG 3.45Å; P197-D246 WeakPolarHBondContact CA-OD2 3.44Å
198Q74.5Confident68.7Low74 Ų7462.3 Ų62.335%0.34635%0.346SS..PPolyproline II helixtrans-85.6137.9176.3-68.9-164.6-44.500112H190 R253H190-Q198 PolarHBondContact CD2-O 2.95Å; Q198-R253 VanDerWaalsContact NE2-NH1 3.13Å; Q198-R253 VanDerWaalsContact NE2-NH2 3.14Å
199S64.8Low66.7Low27 Ų2763.8 Ų63.819%0.18936%0.358CS..PPolyproline II helixtrans-83132.7171.9-171.90000110.9S201 Q215S199-S201 VanDerWaalsContact C-N 3.25Å; S199-S201 PolarHBondContact OG-N 3.01Å; S199-S201 PolarHBondContact OG-OG 3.42Å; S199-Q215 PolarHBondContact OG-OE1 3.1Å
200T54.3Low65.1Low115 Ų11568 Ų6871%0.70638%0.377SS*.SBendtrans-77.3-10.4173.5-31.40000112.4
201S51.8Low63.8Low53 Ų5371 Ų7137%0.37139%0.394SS..  trans-96.4127.6-174.4610000112.1S199 N203S199-S201 VanDerWaalsContact C-N 3.25Å; S199-S201 PolarHBondContact OG-N 3.01Å; S199-S201 PolarHBondContact OG-OG 3.42Å; S201-N203 PolarHBondContact O-N 3.11Å
202P46.4Very low62.5Low114 Ų11470.6 Ų70.674%0.7439%0.389SS*.  trans-75.62179.430.3-34.4000114.5L204P202-L204 VanDerWaalsContact C-N 3.34Å; P202-L204 PolarHBondContact O-N 2.78Å
203N44.6Very low61.5Low121 Ų12167.6 Ų67.665%0.64737%0.372SS*.  trans-77.884.8177.9-73.9-6000110.6S201 H205S201-N203 PolarHBondContact O-N 3.11Å; N203-H205 VanDerWaalsContact C-N 3.32Å; N203-H205 PolarHBondContact O-N 3.47Å; N203-H205 VanDerWaalsContact O-N 3.08Å
204L48.8Very low60Low128 Ų12869 Ų6967%0.6738%0.376SS*.  trans-77.974.2175.6-71.9162000110.7P202P202-L204 VanDerWaalsContact C-N 3.34Å; P202-L204 PolarHBondContact O-N 2.78Å
205H49.7Very low58.3Low134 Ų13467.7 Ų67.762%0.6237%0.369SS*.  trans-101.3103.1155.2-69-64.8000107.5N203 I216N203-H205 VanDerWaalsContact C-N 3.32Å; N203-H205 PolarHBondContact O-N 3.47Å; N203-H205 VanDerWaalsContact O-N 3.08Å; H205-I216 HydrophobicContact CB-CB 4.42Å; H205-I216 HydrophobicContact CB-CD1 3.89Å; H205-I216 HydrophobicContact CB-CG1 4.3Å; H205-I216 WeakPolarHBondContact O-CG1 3.13Å; H205-I216 PolarHBondContact O-N 2.78Å
206E53.4Low56.4Low93 Ų9372.5 Ų72.544%0.43539%0.393SS..EExtended strand (participates in β ladder)trans-90.7123.1178.3-169169-155.400108.5T192 S213T192-E206 VanDerWaalsContact CG2-OE1 3.27Å; T192-E206 WeakPolarHBondContact CG2-OE1 3.41Å; T192-E206 PolarHBondContact OG1-OE1 3.15Å; E206-S213 WeakPolarHBondContact OE1-CB 3.23Å
207L49.6Very low54.8Low97 Ų9773.1 Ų73.151%0.50840%0.398SS..EExtended strand (participates in β ladder)trans-104.9117167.7-76.3174.4000108.3A209 F214 I216L207-A209 PolarHBondContact O-N 2.69Å; L207-A209 VanDerWaalsContact O-N 3.15Å; L207-F214 PolarHBondContact N-O 3.13Å; L207-F214 PolarHBondContact O-N 3.2Å; L207-I216 HydrophobicContact CB-CG1 4.29Å; L207-I216 HydrophobicContact CD1-CD1 3.44Å; L207-I216 VanDerWaalsContact CD1-CD1 3.44Å; L207-I216 HydrophobicContact CD1-CG1 3.4Å; L207-I216 HydrophobicContact CD2-CD1 4.28Å; L207-I216 HydrophobicContact CG-CD1 3.53Å; L207-I216 HydrophobicContact CG-CG1 3.53Å
208N55.1Low53.5Low125 Ų12578.4 Ų78.467%0.66843%0.43SS*.EExtended strand (participates in β ladder)trans-79.591.2163.4-69.4-22.3000107.7A212 S213N208-A212 WeakPolarHBondContact CA-O 3.38Å; N208-S213 WeakPolarHBondContact OD1-CA 3.45Å; N208-S213 WeakPolarHBondContact OD1-CB 3.22Å
209A47.8Very low53.1Low35 Ų3579.2 Ų79.229%0.28943%0.432SS..EExtended strand (participates in β ladder)trans-107.2127.717200000108.5L207 N211 A212 F214L207-A209 PolarHBondContact O-N 2.69Å; L207-A209 VanDerWaalsContact O-N 3.15Å; A209-N211 VanDerWaalsContact C-N 3.3Å; A209-N211 PolarHBondContact O-N 3.34Å; A209-A212 PolarHBondContact N-O 3.14Å; A209-A212 VanDerWaalsContact N-O 3.12Å; A209-A212 PolarHBondContact O-N 2.91Å; A209-F214 HydrophobicContact CB-CD2 4.11Å; A209-F214 HydrophobicContact CB-CE2 4.29Å; A209-F214 WeakPolarHBondContact O-CE2 3.37Å
210F54.2Low53.4Low104 Ų10478.5 Ų78.546%0.45643%0.426SS..THydrogen-bonded Turntrans53.342.7177.3-46.2-63.2000113.6A170 L171 S172 N173 N174 A212A170-F210 VanDerWaalsContact O-CB 3.25Å; A170-F210 WeakPolarHBondContact O-CB 3.44Å; A170-F210 WeakPolarHBondContact O-CG 3.43Å; L171-F210 WeakPolarHBondContact O-CD1 3.35Å; L171-F210 WeakPolarHBondContact O-CE1 3.46Å; S172-F210 WeakPolarHBondContact O-CA 3.45Å; N173-F210 CarbonylContact C-O 3.52Å; N173-F210 WeakPolarHBondContact CA-O 3.29Å; N174-F210 HydrophobicContact CB-CB 4.49Å; N174-F210 PolarHBondContact N-O 2.83Å; F210-A212 PolarHBondContact O-N 3.03Å; F210-A212 VanDerWaalsContact O-N 3.15Å
211N52.9Low54.2Low87 Ų8781 Ų8147%0.46543%0.428SS..THydrogen-bonded Turntrans55.625.7-176.4-60.8-16000114.9N173 A209N173-N211 VanDerWaalsContact OD1-CB 3.28Å; N173-N211 WeakPolarHBondContact OD1-CB 3.31Å; N173-N211 PolarHBondContact OD1-ND2 3.33Å; A209-N211 VanDerWaalsContact C-N 3.3Å; A209-N211 PolarHBondContact O-N 3.34Å
212A49.3Very low55.2Low4 Ų484.3 Ų84.33%0.03344%0.436CS..EExtended strand (participates in β ladder)trans-119130.416400000109.2N174 L175 N208 A209 F210 F214N174-A212 HydrophobicContact CB-CB 4.01Å; L175-A212 HydrophobicContact CB-CB 4.44Å; N208-A212 WeakPolarHBondContact CA-O 3.38Å; A209-A212 PolarHBondContact N-O 3.14Å; A209-A212 VanDerWaalsContact N-O 3.12Å; A209-A212 PolarHBondContact O-N 2.91Å; F210-A212 PolarHBondContact O-N 3.03Å; F210-A212 VanDerWaalsContact O-N 3.15Å; A212-F214 HydrophobicContact CB-CD2 4.05Å; A212-F214 HydrophobicContact CB-CE1 4.35Å; A212-F214 HydrophobicContact CB-CE2 3.45Å; A212-F214 VanDerWaalsContact CB-CE2 3.45Å; A212-F214 HydrophobicContact CB-CZ 3.64Å; A212-F214 VanDerWaalsContact O-CD2 3.28Å; A212-F214 WeakPolarHBondContact O-CD2 3.08Å; A212-F214 PolarHBondContact O-N 3.34Å
213S53.1Low56.8Low23 Ų2379.8 Ų79.816%0.16141%0.405CS..EExtended strand (participates in β ladder)trans-76.998.4171.147.40000109.5T192 E206 N208T192-S213 VanDerWaalsContact OG1-CB 3.3Å; T192-S213 WeakPolarHBondContact OG1-CB 3.37Å; T192-S213 PolarHBondContact OG1-OG 3.17Å; E206-S213 WeakPolarHBondContact OE1-CB 3.23Å; N208-S213 WeakPolarHBondContact OD1-CA 3.45Å; N208-S213 WeakPolarHBondContact OD1-CB 3.22Å
214F52.8Low58.5Low46 Ų4675.3 Ų75.320%0.20239%0.387CS..EExtended strand (participates in β ladder)trans-94130.2172.6-60.8-82000109.3F189 L207 A209 A212 I216F189-F214 HydrophobicContact CB-CD1 3.97Å; F189-F214 HydrophobicContact CB-CE1 4.07Å; F189-F214 HydrophobicContact CD1-CE1 4.34Å; F189-F214 HydrophobicContact CD2-CD1 4.45Å; F189-F214 AromaticContact CD2-CE1 3.71Å; F189-F214 HydrophobicContact CD2-CE1 3.71Å; F189-F214 HydrophobicContact CE2-CE1 4.21Å; F189-F214 HydrophobicContact CG-CD1 4.1Å; F189-F214 AromaticContact CG-CE1 3.77Å; F189-F214 HydrophobicContact CG-CE1 3.77Å; L207-F214 PolarHBondContact N-O 3.13Å; L207-F214 PolarHBondContact O-N 3.2Å; A209-F214 HydrophobicContact CB-CD2 4.11Å; A209-F214 HydrophobicContact CB-CE2 4.29Å; A209-F214 WeakPolarHBondContact O-CE2 3.37Å; A212-F214 HydrophobicContact CB-CD2 4.05Å; A212-F214 HydrophobicContact CB-CE1 4.35Å; A212-F214 HydrophobicContact CB-CE2 3.45Å; A212-F214 VanDerWaalsContact CB-CE2 3.45Å; A212-F214 HydrophobicContact CB-CZ 3.64Å; A212-F214 VanDerWaalsContact O-CD2 3.28Å; A212-F214 WeakPolarHBondContact O-CD2 3.08Å; A212-F214 PolarHBondContact O-N 3.34Å; F214-I216 PolarHBondContact O-N 3.16Å
215Q52.6Low60Low21 Ų2174.7 Ų74.710%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-70.1127.8162.1-70.3-179.91.200109H190 S199 S217 N220H190-Q215 PolarHBondContact O-N 3.14Å; S199-Q215 PolarHBondContact OG-OE1 3.1Å; Q215-S217 VanDerWaalsContact C-N 3.3Å; Q215-S217 PolarHBondContact O-N 2.67Å; Q215-N220 PolarHBondContact N-ND2 3.22Å; Q215-N220 PolarHBondContact O-ND2 2.82Å
216I53.2Low61.6Low100 Ų10069.1 Ų69.151%0.51335%0.354SS..  trans-66.196169.3-53.3178.6000107.3H205 L207 F214H205-I216 HydrophobicContact CB-CB 4.42Å; H205-I216 HydrophobicContact CB-CD1 3.89Å; H205-I216 HydrophobicContact CB-CG1 4.3Å; H205-I216 WeakPolarHBondContact O-CG1 3.13Å; H205-I216 PolarHBondContact O-N 2.78Å; L207-I216 HydrophobicContact CB-CG1 4.29Å; L207-I216 HydrophobicContact CD1-CD1 3.44Å; L207-I216 VanDerWaalsContact CD1-CD1 3.44Å; L207-I216 HydrophobicContact CD1-CG1 3.4Å; L207-I216 HydrophobicContact CD2-CD1 4.28Å; L207-I216 HydrophobicContact CG-CD1 3.53Å; L207-I216 HydrophobicContact CG-CG1 3.53Å; F214-I216 PolarHBondContact O-N 3.16Å
217S57.2Low63.2Low19 Ų1965.4 Ų65.413%0.13334%0.338CS..  trans-138.8146177.565.90000109.8Q215 K219 N220 F221Q215-S217 VanDerWaalsContact C-N 3.3Å; Q215-S217 PolarHBondContact O-N 2.67Å; S217-K219 PolarHBondContact O-N 3.46Å; S217-K219 VanDerWaalsContact O-N 3.15Å; S217-N220 PolarHBondContact O-N 3.32Å; S217-N220 WeakPolarHBondContact OG-CB 3.39Å; S217-N220 PolarHBondContact OG-N 3.17Å; S217-F221 PolarHBondContact O-N 3.19Å
218T57.3Low64.8Low127 Ų12763.6 Ų63.678%0.77933%0.329SS*.Hα-helixtrans-54-30.7169.745.80000111.4F222T218-F222 WeakPolarHBondContact O-CB 3.28Å; T218-F222 PolarHBondContact O-N 3.06Å
219K66.3Low66.2Low90 Ų9060.2 Ų60.239%0.39131%0.31SS..Hα-helixtrans-63.2-49.1172.4-66.4-176.8177.5-178.90112.2S217 F222 L223S217-K219 PolarHBondContact O-N 3.46Å; S217-K219 VanDerWaalsContact O-N 3.15Å; K219-F222 PolarHBondContact O-N 2.95Å; K219-L223 WeakPolarHBondContact O-CB 3.49Å; K219-L223 VanDerWaalsContact O-CG 3.29Å; K219-L223 WeakPolarHBondContact O-CG 3.34Å; K219-L223 PolarHBondContact O-N 3.36Å
220N72.1Confident68Low13 Ų1359.6 Ų59.67%0.0730%0.303CS..Hα-helixtrans-68.8-33.6178.3-79.6-13.4000113H190 Q215 S217 L223 G224H190-N220 WeakPolarHBondContact CB-OD1 3.44Å; H190-N220 PolarHBondContact N-OD1 3.36Å; H190-N220 PolarHBondContact ND1-OD1 3.38Å; H190-N220 PolarHBondContact O-ND2 3.2Å; Q215-N220 PolarHBondContact N-ND2 3.22Å; Q215-N220 PolarHBondContact O-ND2 2.82Å; S217-N220 PolarHBondContact O-N 3.32Å; S217-N220 WeakPolarHBondContact OG-CB 3.39Å; S217-N220 PolarHBondContact OG-N 3.17Å; N220-L223 PolarHBondContact O-N 3.42Å; N220-G224 PolarHBondContact O-N 3.15Å
221F69.9Low69.5Low167 Ų16755.6 Ų55.673%0.73229%0.287SS*.Hα-helixtrans-62.2-46170.6-177.9-96.5000111.4S217 G224 F225S217-F221 PolarHBondContact O-N 3.19Å; F221-G224 PolarHBondContact O-N 2.59Å; F221-F225 PolarHBondContact O-N 3.31Å
222F73.8Confident71.1Confident123 Ų12354 Ų5454%0.53928%0.283SS..Hα-helixtrans-61.4-44.6175179.7-100.9000112.1T218 K219 G224 F225 I226T218-F222 WeakPolarHBondContact O-CB 3.28Å; T218-F222 PolarHBondContact O-N 3.06Å; K219-F222 PolarHBondContact O-N 2.95Å; F222-G224 VanDerWaalsContact C-N 3.32Å; F222-G224 PolarHBondContact O-N 3.17Å; F222-F225 WeakPolarHBondContact O-CB 3.3Å; F222-F225 PolarHBondContact O-N 2.91Å; F222-F225 VanDerWaalsContact O-N 3.14Å; F222-I226 HydrophobicContact CD1-CD1 4.33Å; F222-I226 HydrophobicContact CD1-CG2 4.47Å; F222-I226 HydrophobicContact CE1-CD1 3.94Å; F222-I226 HydrophobicContact CE1-CG2 3.98Å; F222-I226 HydrophobicContact CE2-CG2 4.04Å; F222-I226 HydrophobicContact CZ-CG2 3.74Å; F222-I226 WeakPolarHBondContact O-CG1 3.46Å; F222-I226 PolarHBondContact O-N 3.42Å
223L80.2Confident73.1Confident19 Ų1954 Ų5410%0.09928%0.282CS..Hα-helixtrans-59.6-41.5174.1-71178.9000111.7L20 P188 F189 H190 K219 N220 F225 I226 S227L20-L223 HydrophobicContact CD1-CB 4Å; L20-L223 HydrophobicContact CD1-CD2 3.98Å; L20-L223 WeakPolarHBondContact CD1-O 3.29Å; P188-L223 WeakPolarHBondContact O-CD1 3.46Å; F189-L223 HydrophobicContact CD1-CB 3.79Å; F189-L223 HydrophobicContact CD1-CD1 4.27Å; F189-L223 HydrophobicContact CE1-CB 3.81Å; H190-L223 WeakPolarHBondContact ND1-CD1 3.49Å; K219-L223 WeakPolarHBondContact O-CB 3.49Å; K219-L223 VanDerWaalsContact O-CG 3.29Å; K219-L223 WeakPolarHBondContact O-CG 3.34Å; K219-L223 PolarHBondContact O-N 3.36Å; N220-L223 PolarHBondContact O-N 3.42Å; L223-F225 VanDerWaalsContact C-N 3.32Å; L223-F225 PolarHBondContact O-N 3Å; L223-I226 HydrophobicContact CD2-CD1 3.9Å; L223-I226 HydrophobicContact CD2-CG1 4.4Å; L223-I226 WeakPolarHBondContact O-CG1 3.28Å; L223-I226 PolarHBondContact O-N 3.37Å; L223-S227 WeakPolarHBondContact O-CB 3.45Å; L223-S227 PolarHBondContact O-N 2.91Å
224G80.1Confident74.8Confident26 Ų2659.5 Ų59.527%0.26831%0.306SS..Hα-helixtrans-60.4-42.317400000111.8N220 F221 F222 S227N220-G224 PolarHBondContact O-N 3.15Å; F221-G224 PolarHBondContact O-N 2.59Å; F222-G224 VanDerWaalsContact C-N 3.32Å; F222-G224 PolarHBondContact O-N 3.17Å; G224-S227 WeakPolarHBondContact O-CB 3.31Å; G224-S227 PolarHBondContact O-N 3.32Å; G224-S227 PolarHBondContact O-OG 2.96Å
225F79.1Confident76.6Confident116 Ų11660.1 Ų60.151%0.50931%0.313SS..Hα-helixtrans-63.7-50175.9-178-98.7000112.7F221 F222 L223 S227 L228 I229F221-F225 PolarHBondContact O-N 3.31Å; F222-F225 WeakPolarHBondContact O-CB 3.3Å; F222-F225 PolarHBondContact O-N 2.91Å; F222-F225 VanDerWaalsContact O-N 3.14Å; L223-F225 VanDerWaalsContact C-N 3.32Å; L223-F225 PolarHBondContact O-N 3Å; F225-S227 PolarHBondContact O-N 2.97Å; F225-L228 PolarHBondContact O-N 3.29Å; F225-L228 VanDerWaalsContact O-N 3.14Å; F225-I229 HydrophobicContact CD2-CD1 4.4Å; F225-I229 HydrophobicContact CE1-CD1 3.86Å; F225-I229 HydrophobicContact CE1-CG1 4.42Å; F225-I229 HydrophobicContact CE2-CD1 3.6Å; F225-I229 HydrophobicContact CE2-CG1 4.39Å; F225-I229 HydrophobicContact CZ-CD1 3.31Å; F225-I229 HydrophobicContact CZ-CG1 4.23Å; F225-I229 PolarHBondContact O-N 3.38Å; F225-I229 VanDerWaalsContact O-N 3.07Å
226I83.7Confident78.4Confident16 Ų1659.1 Ų59.18%0.08231%0.309CS..Hα-helixtrans-74.1-8.2178.967.3167.7000113.4L20 F222 L223 L228 I229 P231L20-I226 HydrophobicContact CD1-CG1 4.32Å; L20-I226 HydrophobicContact CD2-CD1 3.74Å; L20-I226 HydrophobicContact CD2-CG1 3.95Å; L20-I226 HydrophobicContact CG-CG1 4.44Å; F222-I226 HydrophobicContact CD1-CD1 4.33Å; F222-I226 HydrophobicContact CD1-CG2 4.47Å; F222-I226 HydrophobicContact CE1-CD1 3.94Å; F222-I226 HydrophobicContact CE1-CG2 3.98Å; F222-I226 HydrophobicContact CE2-CG2 4.04Å; F222-I226 HydrophobicContact CZ-CG2 3.74Å; F222-I226 WeakPolarHBondContact O-CG1 3.46Å; F222-I226 PolarHBondContact O-N 3.42Å; L223-I226 HydrophobicContact CD2-CD1 3.9Å; L223-I226 HydrophobicContact CD2-CG1 4.4Å; L223-I226 WeakPolarHBondContact O-CG1 3.28Å; L223-I226 PolarHBondContact O-N 3.37Å; I226-L228 VanDerWaalsContact C-N 3.34Å; I226-I229 CarbonylContact C-O 3.57Å; I226-I229 WeakPolarHBondContact CA-O 3.3Å; I226-P231 HydrophobicContact CB-CG 4.41Å
227S86.6Confident80.3Confident15 Ų1554.5 Ų54.511%0.10529%0.285CS..Hα-helixtrans-71.5-31.7168.680.50000111.9A17 G18 Y19 L223 G224 F225A17-S227 VanDerWaalsContact O-CB 3.26Å; A17-S227 WeakPolarHBondContact O-CB 3.43Å; G18-S227 WeakPolarHBondContact CA-O 3.4Å; Y19-S227 WeakPolarHBondContact CD2-O 3.38Å; Y19-S227 PolarHBondContact N-O 3.21Å; L223-S227 WeakPolarHBondContact O-CB 3.45Å; L223-S227 PolarHBondContact O-N 2.91Å; G224-S227 WeakPolarHBondContact O-CB 3.31Å; G224-S227 PolarHBondContact O-N 3.32Å; G224-S227 PolarHBondContact O-OG 2.96Å; F225-S227 PolarHBondContact O-N 2.97Å
228L84.5Confident81.9Confident60 Ų6056.4 Ų56.431%0.31429%0.294SS..Hα-helixtrans-95.6-29.6-179.6-64.5177.2000112.6F150 Y153 F225 I226F150-L228 HydrophobicContact CD2-CD2 4.34Å; F150-L228 HydrophobicContact CE2-CD2 4.46Å; F150-L228 HydrophobicContact CG-CD2 4.42Å; F150-L228 HydrophobicContact CZ-CD1 4.48Å; Y153-L228 WeakPolarHBondContact CE2-O 3.37Å; Y153-L228 VanDerWaalsContact CZ-O 3.31Å; Y153-L228 PolarHBondContact OH-O 3.13Å; F225-L228 PolarHBondContact O-N 3.29Å; F225-L228 VanDerWaalsContact O-N 3.14Å; I226-L228 VanDerWaalsContact C-N 3.34Å
229I84.8Confident83.6Confident54 Ų5451.9 Ų51.928%0.27727%0.265SS..SBendtrans-108.4120.8178-50.9-162.3000108.6I85 F225 I226 P231I85-I229 HydrophobicContact CD1-CD1 4.06Å; I85-I229 HydrophobicContact CD1-CG1 3.86Å; F225-I229 HydrophobicContact CD2-CD1 4.4Å; F225-I229 HydrophobicContact CE1-CD1 3.86Å; F225-I229 HydrophobicContact CE1-CG1 4.42Å; F225-I229 HydrophobicContact CE2-CD1 3.6Å; F225-I229 HydrophobicContact CE2-CG1 4.39Å; F225-I229 HydrophobicContact CZ-CD1 3.31Å; F225-I229 HydrophobicContact CZ-CG1 4.23Å; F225-I229 PolarHBondContact O-N 3.38Å; F225-I229 VanDerWaalsContact O-N 3.07Å; I226-I229 CarbonylContact C-O 3.57Å; I226-I229 WeakPolarHBondContact CA-O 3.3Å; I229-P231 VanDerWaalsContact O-CD 3.32Å; I229-P231 WeakPolarHBondContact O-CD 3.41Å; I229-P231 VanDerWaalsContact O-N 3.16Å
230P84.1Confident85Confident21 Ų2147.6 Ų47.614%0.13625%0.246CC..  trans-59.9121.8-176.419.9-27.1000110.4Y19 V75 V78 I85Y19-P230 HydrophobicContact CD1-CB 3.84Å; Y19-P230 HydrophobicContact CD2-CB 4.1Å; Y19-P230 HydrophobicContact CE1-CB 3.72Å; Y19-P230 HydrophobicContact CE1-CG 4.35Å; Y19-P230 HydrophobicContact CE2-CB 4.02Å; Y19-P230 HydrophobicContact CE2-CG 4.11Å; Y19-P230 HydrophobicContact CG-CB 4.02Å; V75-P230 HydrophobicContact CG1-CB 4.26Å; V75-P230 HydrophobicContact CG2-CB 4.26Å; V78-P230 HydrophobicContact CB-CG 3.93Å; V78-P230 HydrophobicContact CG1-CG 3.58Å; V78-P230 HydrophobicContact CG2-CG 4.35Å; I85-P230 HydrophobicContact CG2-CG 4.19Å
231P85.6Confident86Confident20 Ų2048.8 Ų48.813%0.1325%0.25CC..  trans-77.8178.6170.430.9-26.8000109.8V75 I226 I229 V235 V236V75-P231 WeakPolarHBondContact CG1-O 3.27Å; I226-P231 HydrophobicContact CB-CG 4.41Å; I229-P231 VanDerWaalsContact O-CD 3.32Å; I229-P231 WeakPolarHBondContact O-CD 3.41Å; I229-P231 VanDerWaalsContact O-N 3.16Å; P231-V235 HydrophobicContact CB-CB 4.06Å; P231-V235 HydrophobicContact CB-CG1 3.82Å; P231-V235 HydrophobicContact CG-CB 4.47Å; P231-V235 HydrophobicContact CG-CG1 4.04Å; P231-V236 HydrophobicContact CG-CG2 3.6Å
232S87.8Confident87.2Confident53 Ų5342.1 Ų42.137%0.37122%0.221SC..  trans-60.8152.5177.968.50000111.5E234 V235 V236S232-E234 PolarHBondContact O-N 2.61Å; S232-E234 VanDerWaalsContact O-N 3.13Å; S232-V235 PolarHBondContact O-N 2.88Å; S232-V235 VanDerWaalsContact OG-CG2 3.32Å; S232-V235 WeakPolarHBondContact OG-CG2 3.43Å; S232-V235 PolarHBondContact OG-N 2.83Å; S232-V236 PolarHBondContact O-N 2.86Å
233L90.1Very high88.2Confident4 Ų436.2 Ų36.22%0.02120%0.195CC..Hα-helixtrans-51.6-38178.2-63.9172.1000113L72 V75 K76 V236 A237 R324L72-L233 HydrophobicContact CB-CD2 4.18Å; L72-L233 HydrophobicContact CD2-CB 4.28Å; L72-L233 HydrophobicContact CD2-CD2 3.64Å; V75-L233 HydrophobicContact CB-CD2 3.73Å; V75-L233 HydrophobicContact CG1-CD2 3.49Å; V75-L233 VanDerWaalsContact CG1-CD2 3.49Å; V75-L233 HydrophobicContact CG1-CG 4.19Å; K76-L233 HydrophobicContact CG-CD1 3.85Å; K76-L233 HydrophobicContact CG-CD2 3.87Å; K76-L233 HydrophobicContact CG-CG 4.47Å; L233-V236 PolarHBondContact O-N 2.88Å; L233-A237 WeakPolarHBondContact O-CB 3.44Å; L233-A237 PolarHBondContact O-N 3.43Å; L233-R324 HydrophobicContact CD1-CG 4.23Å
234E89.7Confident88.9Confident140 Ų14035.3 Ų35.365%0.65419%0.19SC*.Hα-helixtrans-66-42.8178.1-69.7174.9-17100111.9S232 V236 A237 D238S232-E234 PolarHBondContact O-N 2.61Å; S232-E234 VanDerWaalsContact O-N 3.13Å; E234-V236 VanDerWaalsContact C-N 3.34Å; E234-V236 PolarHBondContact O-N 3.02Å; E234-A237 PolarHBondContact O-N 3.38Å; E234-D238 WeakPolarHBondContact O-CB 3.42Å; E234-D238 PolarHBondContact O-N 3.47Å
235V89.9Confident89.5Confident59 Ų5934.2 Ų34.236%0.35818%0.178SC..Hα-helixtrans-64.6-40.1176.81720000111P231 S232 D238 N239P231-V235 HydrophobicContact CB-CB 4.06Å; P231-V235 HydrophobicContact CB-CG1 3.82Å; P231-V235 HydrophobicContact CG-CB 4.47Å; P231-V235 HydrophobicContact CG-CG1 4.04Å; S232-V235 PolarHBondContact O-N 2.88Å; S232-V235 VanDerWaalsContact OG-CG2 3.32Å; S232-V235 WeakPolarHBondContact OG-CG2 3.43Å; S232-V235 PolarHBondContact OG-N 2.83Å; V235-D238 PolarHBondContact O-N 3.49Å; V235-N239 VanDerWaalsContact O-CG 3.31Å; V235-N239 PolarHBondContact O-N 3.36Å; V235-N239 PolarHBondContact O-ND2 3.04Å; V235-N239 VanDerWaalsContact O-ND2 3.11Å
236V91Very high90.2Very high0 Ų028.7 Ų28.70%015%0.154CC..Hα-helixtrans-65.7-39.5175.7-176.20000111.1L22 L71 L72 V75 P231 S232 L233 E234 N239 C240L22-V236 HydrophobicContact CB-CG1 4.03Å; L22-V236 HydrophobicContact CD1-CG1 3.81Å; L22-V236 HydrophobicContact CG-CG1 3.77Å; L71-V236 HydrophobicContact CD2-CG1 4.21Å; L72-V236 HydrophobicContact CD2-CB 3.87Å; L72-V236 HydrophobicContact CD2-CG1 3.85Å; V75-V236 HydrophobicContact CG2-CG2 4.24Å; P231-V236 HydrophobicContact CG-CG2 3.6Å; S232-V236 PolarHBondContact O-N 2.86Å; L233-V236 PolarHBondContact O-N 2.88Å; E234-V236 VanDerWaalsContact C-N 3.34Å; E234-V236 PolarHBondContact O-N 3.02Å; V236-N239 PolarHBondContact O-N 2.9Å; V236-C240 PolarHBondContact O-N 3.11Å
237A92.8Very high90.7Very high2 Ų228 Ų282%0.01715%0.15CC..Hα-helixtrans-67-40175.100000112.4L233 E234 N239 C240 R241 L318L233-A237 WeakPolarHBondContact O-CB 3.44Å; L233-A237 PolarHBondContact O-N 3.43Å; E234-A237 PolarHBondContact O-N 3.38Å; A237-N239 VanDerWaalsContact C-N 3.33Å; A237-N239 PolarHBondContact O-N 3.26Å; A237-C240 WeakPolarHBondContact O-CA 2.92Å; A237-C240 WeakPolarHBondContact O-CB 3.35Å; A237-C240 PolarHBondContact O-N 2.85Å; A237-C240 VanDerWaalsContact O-N 3.08Å; A237-R241 PolarHBondContact O-N 3.36Å; A237-L318 HydrophobicContact CB-CD1 4.47Å; A237-L318 HydrophobicContact CB-CD2 4Å
238D91.9Very high90.9Very high60 Ų6027.2 Ų27.232%0.32115%0.145SC..Hα-helixtrans-65-37.6175.2-75.1-12.6000111.6E234 V235 C240 R241 Q242 V301E234-D238 WeakPolarHBondContact O-CB 3.42Å; E234-D238 PolarHBondContact O-N 3.47Å; V235-D238 PolarHBondContact O-N 3.49Å; D238-C240 PolarHBondContact O-N 2.7Å; D238-R241 PolarHBondContact O-N 3.3Å; D238-R241 IonicContact OD1-CZ 2.97Å; D238-R241 IonicContact OD1-NH1 2.62Å; D238-R241 PolarHBondContact OD1-NH1 2.88Å; D238-Q242 WeakPolarHBondContact O-CB 3.33Å; D238-Q242 PolarHBondContact O-N 2.95Å; D238-V301 HydrophobicContact CB-CG1 4.44Å; D238-V301 WeakPolarHBondContact O-CG2 3.33Å
239N92.2Very high91.2Very high31 Ų3124.8 Ų24.817%0.16613%0.132CC..Hα-helixtrans-60-36.6171.4-73.2-38000112L20 Y23 V235 V236 A237 Q242 G243L20-N239 WeakPolarHBondContact CD2-ND2 2.89Å; Y23-N239 WeakPolarHBondContact CA-O 3.25Å; Y23-N239 WeakPolarHBondContact CD2-O 3.49Å; V235-N239 VanDerWaalsContact O-CG 3.31Å; V235-N239 PolarHBondContact O-N 3.36Å; V235-N239 PolarHBondContact O-ND2 3.04Å; V235-N239 VanDerWaalsContact O-ND2 3.11Å; V236-N239 PolarHBondContact O-N 2.9Å; A237-N239 VanDerWaalsContact C-N 3.33Å; A237-N239 PolarHBondContact O-N 3.26Å; N239-Q242 PolarHBondContact O-N 2.93Å; N239-G243 PolarHBondContact O-N 3.4Å
240C94.6Very high91.4Very high0 Ų022.7 Ų22.70%012%0.121CC..Hα-helixtrans-61.3-51.2172.9-158.80000111.4L22 G26 V236 A237 D238 Q242 G243 Y244 L318L22-C240 HydrophobicContact CB-CB 3.93Å; L22-C240 HydrophobicContact CD1-CB 4.13Å; L22-C240 WeakPolarHBondContact O-CA 3.43Å; L22-C240 PolarHBondContact O-SG 3.2Å; G26-C240 WeakPolarHBondContact CA-O 3.42Å; G26-C240 PolarHBondContact N-SG 3.42Å; V236-C240 PolarHBondContact O-N 3.11Å; A237-C240 WeakPolarHBondContact O-CA 2.92Å; A237-C240 WeakPolarHBondContact O-CB 3.35Å; A237-C240 PolarHBondContact O-N 2.85Å; A237-C240 VanDerWaalsContact O-N 3.08Å; D238-C240 PolarHBondContact O-N 2.7Å; C240-Q242 VanDerWaalsContact C-N 3.28Å; C240-Q242 PolarHBondContact O-N 2.91Å; C240-G243 PolarHBondContact O-N 3.36Å; C240-Y244 PolarHBondContact O-N 2.96Å; C240-Y244 VanDerWaalsContact O-N 3.12Å; C240-L318 HydrophobicContact CB-CD1 4.09Å; C240-L318 HydrophobicContact CB-CD2 3.95Å
241R94.4Very high91.7Very high39 Ų3921.7 Ų21.715%0.14711%0.114CC..Hα-helixtrans-59.3-40.9177.9-65.6180-174113.6-1.7111.4A237 D238 G243 Y244 L245 V301 F307 E315 L318A237-R241 PolarHBondContact O-N 3.36Å; D238-R241 PolarHBondContact O-N 3.3Å; D238-R241 IonicContact OD1-CZ 2.97Å; D238-R241 IonicContact OD1-NH1 2.62Å; D238-R241 PolarHBondContact OD1-NH1 2.88Å; R241-G243 PolarHBondContact O-N 2.87Å; R241-Y244 WeakPolarHBondContact O-CB 3.49Å; R241-Y244 PolarHBondContact O-N 2.89Å; R241-L245 WeakPolarHBondContact O-CG 3.42Å; R241-L245 PolarHBondContact O-N 3.02Å; R241-L245 VanDerWaalsContact O-N 3.11Å; R241-V301 HydrophobicContact CB-CB 4.39Å; R241-V301 HydrophobicContact CB-CG1 3.89Å; R241-V301 HydrophobicContact CB-CG2 3.53Å; R241-V301 HydrophobicContact CG-CG1 4.47Å; R241-F307 HydrophobicContact CB-CD2 4.03Å; R241-F307 HydrophobicContact CB-CE2 3.73Å; R241-F307 HydrophobicContact CB-CZ 4.01Å; R241-F307 HydrophobicContact CG-CD1 4.05Å; R241-F307 HydrophobicContact CG-CD2 4.02Å; R241-F307 HydrophobicContact CG-CE1 4.06Å; R241-F307 HydrophobicContact CG-CE2 4.01Å; R241-F307 HydrophobicContact CG-CG 4.04Å; R241-F307 HydrophobicContact CG-CZ 4.04Å; R241-E315 IonicContact CZ-OE1 3.37Å; R241-E315 IonicContact CZ-OE2 3.9Å; R241-E315 IonicContact NE-OE1 2.78Å; R241-E315 IonicContact NE-OE2 3.67Å; R241-E315 PolarHBondContact NE-OE2 3.15Å; R241-E315 IonicContact NH2-OE1 3.45Å; R241-E315 PolarHBondContact NH2-OE1 2.94Å; R241-E315 IonicContact NH2-OE2 2.73Å; R241-E315 PolarHBondContact NH2-OE2 3.02Å; R241-L318 HydrophobicContact CG-CD1 3.97Å
242Q93.8Very high91.8Very high26 Ų2621.2 Ų21.212%0.12111%0.11CC..Hα-helixtrans-64-41.8177.8-169.560.353.100111.5Y23 D238 N239 C240 Y244 L245 D246 V299 V301Y23-Q242 HydrophobicContact CE2-CB 4.47Å; Y23-Q242 HydrophobicContact CE2-CG 4.33Å; D238-Q242 WeakPolarHBondContact O-CB 3.33Å; D238-Q242 PolarHBondContact O-N 2.95Å; N239-Q242 PolarHBondContact O-N 2.93Å; C240-Q242 VanDerWaalsContact C-N 3.28Å; C240-Q242 PolarHBondContact O-N 2.91Å; Q242-Y244 VanDerWaalsContact C-N 3.28Å; Q242-Y244 PolarHBondContact O-N 2.66Å; Q242-L245 PolarHBondContact O-N 2.77Å; Q242-L245 VanDerWaalsContact O-N 3.14Å; Q242-D246 PolarHBondContact NE2-OD1 3.27Å; Q242-D246 PolarHBondContact O-N 3.49Å; Q242-V299 PolarHBondContact NE2-O 3.08Å; Q242-V301 HydrophobicContact CB-CG2 3.81Å; Q242-V301 VanDerWaalsContact N-CG2 3.29Å
243G94.9Very high91.7Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-59-38.7174.600000113Y23 A27 N239 C240 R241 A247Y23-G243 VanDerWaalsContact CD2-CA 3.49Å; A27-G243 WeakPolarHBondContact CA-O 3.28Å; N239-G243 PolarHBondContact O-N 3.4Å; C240-G243 PolarHBondContact O-N 3.36Å; R241-G243 PolarHBondContact O-N 2.87Å; G243-A247 WeakPolarHBondContact O-CB 3.39Å; G243-A247 PolarHBondContact O-N 3.19Å
244Y95.3Very high91.4Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-63-45.1173.9-174.8-79.3000112.1G26 C30 Q33 R34 C240 R241 Q242 A247 L248 F307 L310 L314G26-Y244 WeakPolarHBondContact O-CA 3.22Å; C30-Y244 VanDerWaalsContact CA-CE2 3.4Å; C30-Y244 HydrophobicContact CB-CD1 4.28Å; C30-Y244 HydrophobicContact CB-CD2 3.49Å; C30-Y244 VanDerWaalsContact CB-CD2 3.49Å; C30-Y244 HydrophobicContact CB-CE1 4.44Å; C30-Y244 HydrophobicContact CB-CE2 3.68Å; C30-Y244 HydrophobicContact CB-CG 3.81Å; C30-Y244 PolarHBondContact SG-O 2.99Å; Q33-Y244 PolarHBondContact OE1-OH 2.99Å; R34-Y244 PolarHBondContact NH2-OH 2.92Å; C240-Y244 PolarHBondContact O-N 2.96Å; C240-Y244 VanDerWaalsContact O-N 3.12Å; R241-Y244 WeakPolarHBondContact O-CB 3.49Å; R241-Y244 PolarHBondContact O-N 2.89Å; Q242-Y244 VanDerWaalsContact C-N 3.28Å; Q242-Y244 PolarHBondContact O-N 2.66Å; Y244-A247 PolarHBondContact O-N 3.15Å; Y244-L248 HydrophobicContact CE1-CD2 4.37Å; Y244-L248 WeakPolarHBondContact O-CB 3.39Å; Y244-L248 PolarHBondContact O-N 3.23Å; Y244-F307 HydrophobicContact CD1-CE2 4.3Å; Y244-F307 AromaticContact CD1-CZ 3.78Å; Y244-F307 HydrophobicContact CD1-CZ 3.78Å; Y244-F307 HydrophobicContact CD2-CZ 4.48Å; Y244-F307 AromaticContact CG-CZ 3.78Å; Y244-F307 HydrophobicContact CG-CZ 3.78Å; Y244-L310 HydrophobicContact CE1-CB 4.32Å; Y244-L310 PolarHBondContact OH-O 2.95Å; Y244-L314 HydrophobicContact CD2-CD2 3.7Å; Y244-L314 HydrophobicContact CG-CD2 4.16Å
245L92.8Very high90.9Very high2 Ų220.3 Ų20.31%0.0111%0.109CC..Hα-helixtrans-67.6-40.9-179.4-62.8172.3000112.7R241 Q242 A247 L248 R249 L262 V299 V301 I304 F307 L310R241-L245 WeakPolarHBondContact O-CG 3.42Å; R241-L245 PolarHBondContact O-N 3.02Å; R241-L245 VanDerWaalsContact O-N 3.11Å; Q242-L245 PolarHBondContact O-N 2.77Å; Q242-L245 VanDerWaalsContact O-N 3.14Å; L245-A247 VanDerWaalsContact C-N 3.33Å; L245-L248 PolarHBondContact O-N 3.42Å; L245-R249 WeakPolarHBondContact O-CB 3.26Å; L245-R249 PolarHBondContact O-N 2.95Å; L245-L262 HydrophobicContact CD2-CD2 4.17Å; L245-V299 HydrophobicContact CD1-CG1 4.36Å; L245-V301 HydrophobicContact CD1-CG2 4.02Å; L245-I304 HydrophobicContact CD1-CD1 3.37Å; L245-I304 HydrophobicContact CD1-CG1 4.4Å; L245-I304 HydrophobicContact CD2-CD1 3.27Å; L245-I304 HydrophobicContact CG-CD1 3.88Å; L245-F307 HydrophobicContact CD2-CE2 4.19Å; L245-F307 HydrophobicContact CG-CE2 4.26Å; L245-L310 HydrophobicContact CD2-CD1 4.09Å
246D93.4Very high90.5Very high1 Ų120 Ų201%0.00511%0.106CC..Hα-helixtrans-66.9-37.5177.6-71.6-36000111.4Y23 I195 P197 Q242 R249 F250Y23-D246 WeakPolarHBondContact CE2-OD2 3.11Å; Y23-D246 WeakPolarHBondContact OH-CB 3.21Å; Y23-D246 VanDerWaalsContact OH-CG 3.3Å; Y23-D246 PolarHBondContact OH-OD2 3.22Å; I195-D246 HydrophobicContact CG2-CB 4.09Å; P197-D246 WeakPolarHBondContact CA-OD2 3.44Å; Q242-D246 PolarHBondContact NE2-OD1 3.27Å; Q242-D246 PolarHBondContact O-N 3.49Å; D246-R249 PolarHBondContact O-N 2.78Å; D246-R249 IonicContact OD1-CZ 3.23Å; D246-R249 IonicContact OD1-NH1 3.87Å; D246-R249 PolarHBondContact OD1-NH1 3.5Å; D246-R249 IonicContact OD1-NH2 3.08Å; D246-R249 PolarHBondContact OD1-NH2 2.94Å; D246-F250 PolarHBondContact O-N 2.67Å
247A93.8Very high89.8Confident0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-65.9-42172.600000111.7A27 C30 I195 G243 Y244 L245 R249 F250 L251A27-A247 HydrophobicContact CB-CB 4.06Å; C30-A247 HydrophobicContact CB-CB 3.68Å; I195-A247 HydrophobicContact CD1-CB 4.1Å; I195-A247 HydrophobicContact CG2-CB 4.06Å; G243-A247 WeakPolarHBondContact O-CB 3.39Å; G243-A247 PolarHBondContact O-N 3.19Å; Y244-A247 PolarHBondContact O-N 3.15Å; L245-A247 VanDerWaalsContact C-N 3.33Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 2.95Å; A247-F250 WeakPolarHBondContact O-CB 3.47Å; A247-F250 PolarHBondContact O-N 2.67Å; A247-L251 WeakPolarHBondContact O-CG 3.34Å; A247-L251 PolarHBondContact O-N 2.96Å
248L91.7Very high88.6Confident0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-60.5-43.3175.6-176.658.6000111C30 R34 Y244 L245 F250 L251 E252 T257 V261 L262C30-L248 VanDerWaalsContact SG-CA 3.54Å; C30-L248 PolarHBondContact SG-N 2.82Å; R34-L248 HydrophobicContact CG-CD1 4.26Å; Y244-L248 HydrophobicContact CE1-CD2 4.37Å; Y244-L248 WeakPolarHBondContact O-CB 3.39Å; Y244-L248 PolarHBondContact O-N 3.23Å; L245-L248 PolarHBondContact O-N 3.42Å; L248-F250 VanDerWaalsContact C-N 3.34Å; L248-F250 PolarHBondContact O-N 3.31Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-E252 WeakPolarHBondContact O-CG 3.42Å; L248-E252 PolarHBondContact O-N 3.36Å; L248-T257 HydrophobicContact CD1-CG2 4.16Å; L248-V261 HydrophobicContact CD2-CB 4.11Å; L248-V261 HydrophobicContact CD2-CG1 4.1Å; L248-L262 HydrophobicContact CD2-CD2 3.77Å; L248-L262 HydrophobicContact CD2-CG 3.89Å; L248-L262 HydrophobicContact CG-CD1 4.31Å; L248-L262 HydrophobicContact CG-CD2 4.26Å; L248-L262 HydrophobicContact CG-CG 3.99Å
249R89.8Confident87.5Confident8 Ų835.3 Ų35.33%0.0317%0.174CC..Hα-helixtrans-60.6-44.3175-173.1-174.770.5-139.4-6.1111.4C196 L245 D246 A247 L251 E252 R253 L262 V296 H298C196-R249 PolarHBondContact O-NH2 2.86Å; L245-R249 WeakPolarHBondContact O-CB 3.26Å; L245-R249 PolarHBondContact O-N 2.95Å; D246-R249 PolarHBondContact O-N 2.78Å; D246-R249 IonicContact OD1-CZ 3.23Å; D246-R249 IonicContact OD1-NH1 3.87Å; D246-R249 PolarHBondContact OD1-NH1 3.5Å; D246-R249 IonicContact OD1-NH2 3.08Å; D246-R249 PolarHBondContact OD1-NH2 2.94Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 2.95Å; R249-L251 VanDerWaalsContact C-N 3.33Å; R249-L251 PolarHBondContact O-N 3.38Å; R249-E252 PolarHBondContact O-N 3.46Å; R249-R253 HydrophobicContact CG-CG 4.41Å; R249-R253 WeakPolarHBondContact O-CB 3.38Å; R249-R253 VanDerWaalsContact O-CG 3.27Å; R249-R253 WeakPolarHBondContact O-CG 3.32Å; R249-R253 PolarHBondContact O-N 3.04Å; R249-L262 VanDerWaalsContact CA-CD1 3.44Å; R249-L262 HydrophobicContact CB-CD1 3.59Å; R249-L262 HydrophobicContact CG-CD1 4.14Å; R249-V296 HydrophobicContact CB-CG1 4.5Å; R249-V296 HydrophobicContact CG-CB 4.43Å; R249-V296 HydrophobicContact CG-CG1 3.79Å; R249-H298 PolarHBondContact NH1-CD2 3.36Å
250F90.8Very high86.5Confident10 Ų1036.6 Ų36.64%0.04418%0.184CC..Hα-helixtrans-58.4-46.3175.9168.1-96.2000111.5I184 D194 I195 D246 A247 L248 R253 R254I184-F250 HydrophobicContact CD1-CE1 4.34Å; I184-F250 HydrophobicContact CD1-CZ 4.3Å; I184-F250 HydrophobicContact CG1-CZ 4.26Å; I184-F250 HydrophobicContact CG2-CE1 4.11Å; I184-F250 HydrophobicContact CG2-CZ 3.93Å; D194-F250 HydrophobicContact CB-CD2 3.83Å; D194-F250 HydrophobicContact CB-CE2 3.59Å; D194-F250 HydrophobicContact CB-CZ 4.4Å; I195-F250 HydrophobicContact CD1-CB 4.34Å; I195-F250 HydrophobicContact CD1-CD1 3.96Å; I195-F250 HydrophobicContact CD1-CG 4.16Å; I195-F250 HydrophobicContact CG1-CB 3.78Å; I195-F250 HydrophobicContact CG1-CD1 4.06Å; I195-F250 HydrophobicContact CG1-CD2 4.2Å; I195-F250 HydrophobicContact CG1-CG 3.74Å; D246-F250 PolarHBondContact O-N 2.67Å; A247-F250 WeakPolarHBondContact O-CB 3.47Å; A247-F250 PolarHBondContact O-N 2.67Å; L248-F250 VanDerWaalsContact C-N 3.34Å; L248-F250 PolarHBondContact O-N 3.31Å; F250-R253 PolarHBondContact O-N 3.38Å; F250-R254 HydrophobicContact CD2-CG 4.41Å; F250-R254 HydrophobicContact CE2-CG 4.05Å; F250-R254 HydrophobicContact CZ-CG 4.14Å; F250-R254 VanDerWaalsContact O-CG 3.32Å; F250-R254 WeakPolarHBondContact O-CG 3.26Å; F250-R254 PolarHBondContact O-N 2.72Å; F250-R254 VanDerWaalsContact O-N 3.12Å
251L90.1Very high85.7Confident0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-63.1-45.7178-65177.7000112L31 R34 A35 L38 A247 L248 R249 R254 G255 L256 T257L31-L251 HydrophobicContact CD2-CD1 4.13Å; L31-L251 HydrophobicContact CD2-CD2 3.75Å; L31-L251 HydrophobicContact CD2-CG 4.02Å; R34-L251 HydrophobicContact CB-CD1 3.61Å; A35-L251 HydrophobicContact CB-CD1 3.96Å; A35-L251 HydrophobicContact CB-CD2 3.68Å; A35-L251 HydrophobicContact CB-CG 4.48Å; L38-L251 HydrophobicContact CD1-CD2 3.5Å; L38-L251 VanDerWaalsContact CD1-CD2 3.5Å; A247-L251 WeakPolarHBondContact O-CG 3.34Å; A247-L251 PolarHBondContact O-N 2.96Å; L248-L251 PolarHBondContact O-N 2.9Å; R249-L251 VanDerWaalsContact C-N 3.33Å; R249-L251 PolarHBondContact O-N 3.38Å; L251-R254 CarbonylContact O-C 3.57Å; L251-R254 PolarHBondContact O-N 2.7Å; L251-G255 PolarHBondContact O-N 2.89Å; L251-G255 VanDerWaalsContact O-N 3.09Å; L251-L256 HydrophobicContact CB-CB 4.4Å; L251-L256 HydrophobicContact CD2-CB 4.05Å; L251-L256 HydrophobicContact CD2-CD1 4.12Å; L251-L256 PolarHBondContact O-N 3.41Å; L251-T257 HydrophobicContact CB-CG2 3.52Å; L251-T257 HydrophobicContact CD1-CG2 4.39Å
252E87.9Confident84.8Confident11 Ų1136 Ų365%0.05118%0.184CC..Hα-helixtrans-63.6-42.4178.1-75.2-176.6-168.900111.9L248 R249 R254 G255 T257 V261 L262 V296L248-E252 WeakPolarHBondContact O-CG 3.42Å; L248-E252 PolarHBondContact O-N 3.36Å; R249-E252 PolarHBondContact O-N 3.46Å; E252-R254 PolarHBondContact O-N 3.25Å; E252-G255 PolarHBondContact O-N 3.07Å; E252-T257 HydrophobicContact CG-CG2 3.88Å; E252-T257 WeakPolarHBondContact CG-OG1 3.21Å; E252-V261 WeakPolarHBondContact OE1-CA 3.49Å; E252-V261 PolarHBondContact OE1-N 3Å; E252-L262 PolarHBondContact OE1-N 3.05Å; E252-L262 WeakPolarHBondContact OE2-CB 3.49Å; E252-V296 HydrophobicContact CB-CG1 3.99Å; E252-V296 HydrophobicContact CB-CG2 3.95Å; E252-V296 WeakPolarHBondContact OE2-CG1 3.09Å
253R85Confident83.6Confident61 Ų6137.2 Ų37.223%0.2319%0.188CC..Hα-helixtrans-61.4-31.5176.3-78.1-173.2176.6165.74.3112.5Q198 R249 F250 L292 N293 V296Q198-R253 VanDerWaalsContact NE2-NH1 3.13Å; Q198-R253 VanDerWaalsContact NE2-NH2 3.14Å; R249-R253 HydrophobicContact CG-CG 4.41Å; R249-R253 WeakPolarHBondContact O-CB 3.38Å; R249-R253 VanDerWaalsContact O-CG 3.27Å; R249-R253 WeakPolarHBondContact O-CG 3.32Å; R249-R253 PolarHBondContact O-N 3.04Å; F250-R253 PolarHBondContact O-N 3.38Å; R253-L292 CarbonylContact O-C 3.56Å; R253-L292 WeakPolarHBondContact O-CA 3.32Å; R253-N293 PolarHBondContact O-N 3.35Å; R253-V296 HydrophobicContact CG-CB 3.88Å; R253-V296 HydrophobicContact CG-CG2 3.77Å
254R82.9Confident82.3Confident61 Ų6141.2 Ų41.223%0.2321%0.212CC..THydrogen-bonded Turntrans-90.30.3178.2-64.9-72.1-170.2168.74.3112.4D194 F250 L251 E252 L256 L290D194-R254 IonicContact OD1-NH2 3.98Å; F250-R254 HydrophobicContact CD2-CG 4.41Å; F250-R254 HydrophobicContact CE2-CG 4.05Å; F250-R254 HydrophobicContact CZ-CG 4.14Å; F250-R254 VanDerWaalsContact O-CG 3.32Å; F250-R254 WeakPolarHBondContact O-CG 3.26Å; F250-R254 PolarHBondContact O-N 2.72Å; F250-R254 VanDerWaalsContact O-N 3.12Å; L251-R254 CarbonylContact O-C 3.57Å; L251-R254 PolarHBondContact O-N 2.7Å; E252-R254 PolarHBondContact O-N 3.25Å; R254-L256 HydrophobicContact CB-CD1 3.81Å; R254-L256 HydrophobicContact CB-CG 3.8Å; R254-L256 PolarHBondContact O-N 3.31Å; R254-L290 WeakPolarHBondContact O-CD2 3.43Å
255G80.1Confident81.1Confident55 Ų5543.8 Ų43.857%0.56723%0.226SC*.THydrogen-bonded Turntrans64.625.9-176.900000113.7L251 E252L251-G255 PolarHBondContact O-N 2.89Å; L251-G255 VanDerWaalsContact O-N 3.09Å; E252-G255 PolarHBondContact O-N 3.07Å
256L80.7Confident79.7Confident53 Ų5347.2 Ų47.228%0.27725%0.247SC..  trans-92.3-1.7-178.5-62.9175.9000112.9L4 L38 L251 R254 L290L4-L256 HydrophobicContact CD1-CD1 3.87Å; L38-L256 HydrophobicContact CD1-CD1 4.1Å; L38-L256 HydrophobicContact CD2-CD1 4.46Å; L251-L256 HydrophobicContact CB-CB 4.4Å; L251-L256 HydrophobicContact CD2-CB 4.05Å; L251-L256 HydrophobicContact CD2-CD1 4.12Å; L251-L256 PolarHBondContact O-N 3.41Å; R254-L256 HydrophobicContact CB-CD1 3.81Å; R254-L256 HydrophobicContact CB-CG 3.8Å; R254-L256 PolarHBondContact O-N 3.31Å; L256-L290 HydrophobicContact CD2-CD2 4.5Å
257T75.9Confident77.9Confident30 Ų3049.7 Ų49.718%0.18426%0.264CS..SBendtrans-98.4149.6172.557.50000111L248 L251 E252 E259L248-T257 HydrophobicContact CD1-CG2 4.16Å; L251-T257 HydrophobicContact CB-CG2 3.52Å; L251-T257 HydrophobicContact CD1-CG2 4.39Å; E252-T257 HydrophobicContact CG-CG2 3.88Å; E252-T257 WeakPolarHBondContact CG-OG1 3.21Å; T257-E259 PolarHBondContact OG1-O 3.12Å
258K68.5Low75.6Confident216 Ų21660.1 Ų60.194%0.93931%0.309SS*.SBendtrans-74.5-28.8173.8-64.9-177.9-179.9179.70112.6
259E69.1Low73Confident137 Ų13767.8 Ų67.864%0.6435%0.345SS*.SBendtrans-137.5144.8-175.6-67.2175.8-173.100110.6T257 V261T257-E259 PolarHBondContact OG1-O 3.12Å; E259-V261 PolarHBondContact O-N 3.03Å; E259-V261 VanDerWaalsContact O-N 3.13Å
260P71.4Confident70.7Confident58 Ų5871.2 Ų71.238%0.37737%0.369SS..  trans-82.579.5176.533-33.4000111.1W263 T264P260-W263 HydrophobicContact CB-CB 4.35Å; P260-W263 PolarHBondContact O-N 3.27Å; P260-T264 PolarHBondContact O-N 3.38Å
261V77.3Confident68.6Low25 Ų2573.5 Ų73.515%0.15238%0.384CS..Hα-helixtrans-65.9-41.2-175.1179.20000111.8L248 E252 E259 W263 T264 L265 L310L248-V261 HydrophobicContact CD2-CB 4.11Å; L248-V261 HydrophobicContact CD2-CG1 4.1Å; E252-V261 WeakPolarHBondContact OE1-CA 3.49Å; E252-V261 PolarHBondContact OE1-N 3Å; E259-V261 PolarHBondContact O-N 3.03Å; E259-V261 VanDerWaalsContact O-N 3.13Å; V261-W263 VanDerWaalsContact C-N 3.27Å; V261-W263 PolarHBondContact O-N 3.18Å; V261-T264 PolarHBondContact O-N 3.43Å; V261-T264 VanDerWaalsContact O-N 3.16Å; V261-T264 PolarHBondContact O-OG1 2.89Å; V261-L265 HydrophobicContact CG1-CD1 4.45Å; V261-L265 WeakPolarHBondContact O-CG 3.35Å; V261-L265 PolarHBondContact O-N 3.32Å; V261-L310 HydrophobicContact CG1-CD2 3.45Å; V261-L310 VanDerWaalsContact CG1-CD2 3.45Å
262L75.5Confident66.2Low2 Ų277.6 Ų77.61%0.0142%0.418CS..Hα-helixtrans-63.5-34.9-178.3-66172.4000112.6L245 L248 R249 E252 L265 V266 V296 P297 V299L245-L262 HydrophobicContact CD2-CD2 4.17Å; L248-L262 HydrophobicContact CD2-CD2 3.77Å; L248-L262 HydrophobicContact CD2-CG 3.89Å; L248-L262 HydrophobicContact CG-CD1 4.31Å; L248-L262 HydrophobicContact CG-CD2 4.26Å; L248-L262 HydrophobicContact CG-CG 3.99Å; R249-L262 VanDerWaalsContact CA-CD1 3.44Å; R249-L262 HydrophobicContact CB-CD1 3.59Å; R249-L262 HydrophobicContact CG-CD1 4.14Å; E252-L262 PolarHBondContact OE1-N 3.05Å; E252-L262 WeakPolarHBondContact OE2-CB 3.49Å; L262-L265 HydrophobicContact CD2-CD1 4.24Å; L262-L265 PolarHBondContact O-N 3.34Å; L262-V266 WeakPolarHBondContact O-CG2 3.46Å; L262-V266 PolarHBondContact O-N 3.05Å; L262-V266 VanDerWaalsContact O-N 3.14Å; L262-V296 HydrophobicContact CD1-CG1 3.76Å; L262-P297 HydrophobicContact CB-CG 4.13Å; L262-V299 HydrophobicContact CB-CG2 4.3Å; L262-V299 HydrophobicContact CD2-CB 4.21Å; L262-V299 HydrophobicContact CD2-CG2 3.84Å
263W67.6Low63.9Low51 Ų5182.6 Ų82.619%0.19345%0.452CS..Hα-helixtrans-64-42.1175.1-79.3108.7000112.4P260 V261 L265 V266 S267 P271 Q295 P297P260-W263 HydrophobicContact CB-CB 4.35Å; P260-W263 PolarHBondContact O-N 3.27Å; V261-W263 VanDerWaalsContact C-N 3.27Å; V261-W263 PolarHBondContact O-N 3.18Å; W263-L265 PolarHBondContact O-N 2.98Å; W263-V266 PolarHBondContact O-N 2.95Å; W263-S267 PolarHBondContact O-N 3.26Å; W263-S267 VanDerWaalsContact O-O 3.08Å; W263-P271 HydrophobicContact CD2-CG 4.16Å; W263-P271 HydrophobicContact CG-CG 4.21Å; W263-Q295 WeakPolarHBondContact CH2-O 3.49Å; W263-Q295 HydrophobicContact CZ2-CB 3.84Å; W263-Q295 WeakPolarHBondContact CZ2-O 3.32Å; W263-P297 VanDerWaalsContact CD2-CD 3.5Å; W263-P297 HydrophobicContact CD2-CG 3.86Å; W263-P297 HydrophobicContact CE3-CG 3.94Å; W263-P297 HydrophobicContact CG-CG 4.24Å; W263-P297 HydrophobicContact CZ3-CG 4.35Å
264T68.6Low61.7Low84 Ų8484.4 Ų84.452%0.51548%0.48SS..Hα-helixtrans-66.3-22.9176.559.60000113.7P260 V261 S267P260-T264 PolarHBondContact O-N 3.38Å; V261-T264 PolarHBondContact O-N 3.43Å; V261-T264 VanDerWaalsContact O-N 3.16Å; V261-T264 PolarHBondContact O-OG1 2.89Å; T264-S267 CarbonylContact C-O 3.56Å
265L70.8Confident59.4Low55 Ų5589.2 Ų89.229%0.28851%0.51SS..Hα-helixtrans-80.2-35174.9-66.1171000112.7V261 L262 W263 I304 L310V261-L265 HydrophobicContact CG1-CD1 4.45Å; V261-L265 WeakPolarHBondContact O-CG 3.35Å; V261-L265 PolarHBondContact O-N 3.32Å; L262-L265 HydrophobicContact CD2-CD1 4.24Å; L262-L265 PolarHBondContact O-N 3.34Å; W263-L265 PolarHBondContact O-N 2.98Å; L265-I304 HydrophobicContact CD1-CD1 4.26Å; L265-L310 HydrophobicContact CD1-CD1 3.65Å; L265-L310 HydrophobicContact CD1-CD2 3.75Å; L265-L310 HydrophobicContact CD1-CG 4.25Å; L265-L310 HydrophobicContact CD2-CD1 4.35Å; L265-L310 HydrophobicContact CD2-CD2 4.12Å; L265-L310 HydrophobicContact CD2-CG 4.42Å; L265-L310 HydrophobicContact CG-CD2 4.3Å
266V62.3Low57.3Low74 Ų7489.2 Ų89.245%0.44851%0.51SS..Hα-helixtrans-91.6-23.4-176.1178.70000111.9L262 W263 P297 V299L262-V266 WeakPolarHBondContact O-CG2 3.46Å; L262-V266 PolarHBondContact O-N 3.05Å; L262-V266 VanDerWaalsContact O-N 3.14Å; W263-V266 PolarHBondContact O-N 2.95Å; V266-P297 HydrophobicContact CB-CB 4.43Å; V266-P297 HydrophobicContact CB-CG 4.33Å; V266-P297 HydrophobicContact CG1-CB 4.35Å; V266-P297 HydrophobicContact CG2-CB 4.13Å; V266-P297 HydrophobicContact CG2-CG 4.07Å; V266-V299 HydrophobicContact CG2-CG2 3.37Å
267S55.8Low54.8Low52 Ų5292.7 Ų92.736%0.36453%0.529SS..  trans-144.5140.2-176.1-67.30000111.1W263 T264 E269W263-S267 PolarHBondContact O-N 3.26Å; W263-S267 VanDerWaalsContact O-O 3.08Å; T264-S267 CarbonylContact C-O 3.56Å; S267-E269 PolarHBondContact O-N 2.9Å
268K46.1Very low53Low220 Ų220103 Ų10396%0.95756%0.564SS**SBendtrans-70.1-7.6177.1-78.1-175.2176.1179.60113.8
269E37Very low51.2Low161 Ų16199 Ų9975%0.75255%0.553SS**SBendtrans-128.3127.2177.4-86162.6152.500110.2S267S267-E269 PolarHBondContact O-N 2.9Å
270P41.4Very low49.6Very low80 Ų8097.8 Ų97.852%0.51957%0.566SS.*PPolyproline II helixtrans-66.7148.3171.127.2-30.9000109.9A272P270-A272 PolarHBondContact O-N 3.43Å
271P45.5Very low47.6Very low57 Ų5798.2 Ų98.237%0.3758%0.581SS.*PPolyproline II helixtrans-59.6139.4175.624.5-31.4000109.8W263W263-P271 HydrophobicContact CD2-CG 4.16Å; W263-P271 HydrophobicContact CG-CG 4.21Å
272A41.1Very low45.3Very low86 Ų86103.3 Ų103.371%0.71162%0.617SS**PPolyproline II helixtrans-53.3138.4173.900000109.4P270 A274P270-A272 PolarHBondContact O-N 3.43Å; A272-A274 PolarHBondContact O-N 3.07Å; A272-A274 VanDerWaalsContact O-N 3.12Å
273P39.6Very low43.4Very low117 Ų117110.7 Ų110.776%0.7666%0.656SS**PPolyproline II helixtrans-53.8126.3172.123.2-30.7000107.1D275P273-D275 PolarHBondContact O-N 2.9Å
274A39.1Very low41.7Very low99 Ų99117.1 Ų117.182%0.81869%0.688SS**PPolyproline II helixtrans-52.2120-179.300000108.6A272 G276A272-A274 PolarHBondContact O-N 3.07Å; A272-A274 VanDerWaalsContact O-N 3.12Å; A274-G276 PolarHBondContact O-N 3.14Å
275D33.8Very low39.6Very low162 Ų162118.4 Ų118.487%0.86670%0.699SS**  trans-54.4107.1176.2-78.4-42.4000108.2P273 N277P273-D275 PolarHBondContact O-N 2.9Å; D275-N277 PolarHBondContact O-N 2.93Å
276G35.1Very low37.7Very low55 Ų55121.9 Ų121.957%0.56773%0.725SS**  trans-64.6102.7164.900000107A274 W278A274-G276 PolarHBondContact O-N 3.14Å; G276-W278 PolarHBondContact O-N 3.44Å
277N28.7Very low36.1Very low125 Ų125128.1 Ų128.167%0.66875%0.746SS**  trans-63.695.4162.9-161.455.2000106.7D275 D279D275-N277 PolarHBondContact O-N 2.93Å; N277-D279 PolarHBondContact ND2-OD1 3.36Å; N277-D279 VanDerWaalsContact ND2-OD1 3.16Å; N277-D279 PolarHBondContact ND2-OD2 2.76Å; N277-D279 PolarHBondContact O-N 2.85Å
278W37.7Very low35Very low247 Ų247129.6 Ų129.694%0.93676%0.757SS**  trans-71.181.1169.6-71.490.1000107.9G276 A280G276-W278 PolarHBondContact O-N 3.44Å; W278-A280 PolarHBondContact O-N 3.34Å
279D31Very low34.4Very low133 Ų133122.1 Ų122.171%0.71174%0.742SS**  trans-75107.3160.4-75.8-32.6000107.7N277 G281N277-D279 PolarHBondContact ND2-OD1 3.36Å; N277-D279 VanDerWaalsContact ND2-OD1 3.16Å; N277-D279 PolarHBondContact ND2-OD2 2.76Å; N277-D279 PolarHBondContact O-N 2.85Å; D279-G281 PolarHBondContact O-N 3.38Å
280A36.5Very low34.7Very low110 Ų110118.1 Ų118.191%0.90973%0.726SS**  trans-59.7120.117200000110.2W278W278-A280 PolarHBondContact O-N 3.34Å
281G29.8Very low34.8Very low67 Ų67119.1 Ų119.169%0.69173%0.734SS**  trans132.687.9159.400000115.2D279D279-G281 PolarHBondContact O-N 3.38Å
282C28.3Very low35.2Very low133 Ų133119.5 Ų119.590%0.89973%0.733SS**  167124.5125.4-87.50000110.4Q284C282-Q284 PolarHBondContact O-N 3.48Å
283D36Very low36.1Very low156 Ų156118.5 Ų118.583%0.83472%0.716SS**  trans-56123167.9-67.6-53.2000111.3
284Q30.4Very low37Very low186 Ų186122.2 Ų122.287%0.86972%0.715SS**  trans167.5122.1133.1-90.6162.954.400112.8C282C282-Q284 PolarHBondContact O-N 3.48Å
285C26.3Very low37.9Very low111 Ų111123.8 Ų123.875%0.7571%0.705SS**  trans66.9117.4150.8-143.60000118.5K287C285-K287 PolarHBondContact O-N 3.32Å
286P29.8Very low39.5Very low128 Ų128116.4 Ų116.483%0.83167%0.666SS**  trans-72.799.2174.729.2-29.6000109.8S288P286-S288 PolarHBondContact O-N 3Å
287K28.9Very low41.3Very low205 Ų205114.7 Ų114.789%0.89165%0.645SS**  trans-70.294.8163.3-72.6-179.3179.5173.50108.2C285 G289C285-K287 PolarHBondContact O-N 3.32Å; K287-G289 VanDerWaalsContact C-N 3.26Å; K287-G289 PolarHBondContact O-N 3.09Å
288S33.5Very low43.4Very low84 Ų84111.8 Ų111.859%0.58763%0.627SS**  trans-62.987.8164.6-176.60000109.1E5 P286E5-S288 PolarHBondContact OE1-OG 3.15Å; P286-S288 PolarHBondContact O-N 3Å
289G31.9Very low45.3Very low63 Ų63100.4 Ų100.465%0.64959%0.585SS**  trans-112.6111.5163.700000107.2K287 S291K287-G289 VanDerWaalsContact C-N 3.26Å; K287-G289 PolarHBondContact O-N 3.09Å; G289-S291 PolarHBondContact O-N 2.94Å
290L43.7Very low47.6Very low76 Ų7697.8 Ų97.840%0.39857%0.568SS.*  trans-56.699.6168.5-76.3137.5000107.9R254 L256 L292R254-L290 WeakPolarHBondContact O-CD2 3.43Å; L256-L290 HydrophobicContact CD2-CD2 4.5Å; L290-L292 PolarHBondContact O-N 3.46Å; L290-L292 VanDerWaalsContact O-N 3.17Å
291S44.7Very low49.6Very low101 Ų10193.5 Ų93.571%0.70653%0.531SS*.  trans-63.4117.3174.563.60000107.3G289 N293G289-S291 PolarHBondContact O-N 2.94Å; S291-N293 PolarHBondContact O-N 3.27Å
292L52.5Low51.9Low65 Ų6599 Ų9934%0.3454%0.536SS..  trans-62.4142.5172-59.171.7000107.7R253 L290 W294R253-L292 CarbonylContact O-C 3.56Å; R253-L292 WeakPolarHBondContact O-CA 3.32Å; L290-L292 PolarHBondContact O-N 3.46Å; L290-L292 VanDerWaalsContact O-N 3.17Å; L292-W294 VanDerWaalsContact C-CE3 3.42Å; L292-W294 VanDerWaalsContact C-CZ3 3.45Å; L292-W294 HydrophobicContact CB-CD2 4.24Å; L292-W294 HydrophobicContact CB-CE3 3.71Å; L292-W294 HydrophobicContact CB-CH2 3.47Å; L292-W294 VanDerWaalsContact CB-CH2 3.47Å; L292-W294 HydrophobicContact CB-CZ2 4Å; L292-W294 HydrophobicContact CB-CZ3 3.33Å; L292-W294 HydrophobicContact CD1-CH2 3.74Å; L292-W294 HydrophobicContact CD1-CZ2 4.31Å; L292-W294 HydrophobicContact CD1-CZ3 4.37Å; L292-W294 HydrophobicContact CD2-CH2 4.19Å; L292-W294 HydrophobicContact CD2-CZ2 4.04Å; L292-W294 HydrophobicContact CG-CH2 3.99Å; L292-W294 HydrophobicContact CG-CZ2 4.35Å; L292-W294 HydrophobicContact CG-CZ3 4.33Å; L292-W294 WeakPolarHBondContact O-CZ3 3.26Å
293N61.2Low54.2Low65 Ų6597.3 Ų97.335%0.34852%0.518SS..  trans-96.9101.5171.1-169.3-16000108.1R253 S291 Q295 V296R253-N293 PolarHBondContact O-N 3.35Å; S291-N293 PolarHBondContact O-N 3.27Å; N293-Q295 PolarHBondContact O-N 2.94Å; N293-Q295 VanDerWaalsContact OD1-CB 3.28Å; N293-Q295 WeakPolarHBondContact OD1-CB 3.39Å; N293-Q295 PolarHBondContact OD1-N 3.41Å; N293-V296 HydrophobicContact CB-CG2 4.31Å
294W57.7Low56.1Low196 Ų19690.8 Ų90.874%0.74248%0.483SS*.THydrogen-bonded Turntrans-70.5-10.4179.2-79.3-111.3000112.9L292L292-W294 VanDerWaalsContact C-CE3 3.42Å; L292-W294 VanDerWaalsContact C-CZ3 3.45Å; L292-W294 HydrophobicContact CB-CD2 4.24Å; L292-W294 HydrophobicContact CB-CE3 3.71Å; L292-W294 HydrophobicContact CB-CH2 3.47Å; L292-W294 VanDerWaalsContact CB-CH2 3.47Å; L292-W294 HydrophobicContact CB-CZ2 4Å; L292-W294 HydrophobicContact CB-CZ3 3.33Å; L292-W294 HydrophobicContact CD1-CH2 3.74Å; L292-W294 HydrophobicContact CD1-CZ2 4.31Å; L292-W294 HydrophobicContact CD1-CZ3 4.37Å; L292-W294 HydrophobicContact CD2-CH2 4.19Å; L292-W294 HydrophobicContact CD2-CZ2 4.04Å; L292-W294 HydrophobicContact CG-CH2 3.99Å; L292-W294 HydrophobicContact CG-CZ2 4.35Å; L292-W294 HydrophobicContact CG-CZ3 4.33Å; L292-W294 WeakPolarHBondContact O-CZ3 3.26Å
295Q59.3Low58Low132 Ų13288.2 Ų88.262%0.61748%0.482SS*.THydrogen-bonded Turntrans-82.3-12.5-174-55.8-179.5-17.500113.3W263 N293W263-Q295 WeakPolarHBondContact CH2-O 3.49Å; W263-Q295 HydrophobicContact CZ2-CB 3.84Å; W263-Q295 WeakPolarHBondContact CZ2-O 3.32Å; N293-Q295 PolarHBondContact O-N 2.94Å; N293-Q295 VanDerWaalsContact OD1-CB 3.28Å; N293-Q295 WeakPolarHBondContact OD1-CB 3.39Å; N293-Q295 PolarHBondContact OD1-N 3.41Å
296V67.4Low60.6Low7 Ų785.7 Ų85.74%0.04246%0.461CS..PPolyproline II helixtrans-56.4123.5-175.3-176.30000111.9R249 E252 R253 L262 N293R249-V296 HydrophobicContact CB-CG1 4.5Å; R249-V296 HydrophobicContact CG-CB 4.43Å; R249-V296 HydrophobicContact CG-CG1 3.79Å; E252-V296 HydrophobicContact CB-CG1 3.99Å; E252-V296 HydrophobicContact CB-CG2 3.95Å; E252-V296 WeakPolarHBondContact OE2-CG1 3.09Å; R253-V296 HydrophobicContact CG-CB 3.88Å; R253-V296 HydrophobicContact CG-CG2 3.77Å; L262-V296 HydrophobicContact CD1-CG1 3.76Å; N293-V296 HydrophobicContact CB-CG2 4.31Å
297P71.1Confident63.2Low18 Ų1880.2 Ų80.212%0.11742%0.424CS..PPolyproline II helixtrans-70151.2-171.428.7-36000111.3L262 W263 V266L262-P297 HydrophobicContact CB-CG 4.13Å; W263-P297 VanDerWaalsContact CD2-CD 3.5Å; W263-P297 HydrophobicContact CD2-CG 3.86Å; W263-P297 HydrophobicContact CE3-CG 3.94Å; W263-P297 HydrophobicContact CG-CG 4.24Å; W263-P297 HydrophobicContact CZ3-CG 4.35Å; V266-P297 HydrophobicContact CB-CB 4.43Å; V266-P297 HydrophobicContact CB-CG 4.33Å; V266-P297 HydrophobicContact CG1-CB 4.35Å; V266-P297 HydrophobicContact CG2-CB 4.13Å; V266-P297 HydrophobicContact CG2-CG 4.07Å
298H73.1Confident65.9Low65 Ų6574.4 Ų74.430%0.30140%0.4SS..PPolyproline II helixtrans-85.2124.1171.2179.5-79.1000109.6R249R249-H298 PolarHBondContact NH1-CD2 3.36Å
299V77.5Confident68.3Low7 Ų777.5 Ų77.54%0.04241%0.405CS..  trans-119.9125.3-179.9-171.30000109.3Q242 L245 L262 V266 D303 I304Q242-V299 PolarHBondContact NE2-O 3.08Å; L245-V299 HydrophobicContact CD1-CG1 4.36Å; L262-V299 HydrophobicContact CB-CG2 4.3Å; L262-V299 HydrophobicContact CD2-CB 4.21Å; L262-V299 HydrophobicContact CD2-CG2 3.84Å; V266-V299 HydrophobicContact CG2-CG2 3.37Å; V299-D303 HydrophobicContact CG1-CB 4.25Å; V299-I304 HydrophobicContact CG1-CD1 3.75Å; V299-I304 HydrophobicContact CG1-CG1 3.63Å
300Q78.9Confident70.9Confident79 Ų7975 Ų7537%0.36938%0.377SS..  trans-91.3154.3168.2-63.2-17613.600109.7K302 D303Q300-K302 PolarHBondContact O-N 3.41Å; Q300-K302 VanDerWaalsContact O-N 3.09Å; Q300-D303 WeakPolarHBondContact CB-OD2 3.48Å; Q300-D303 PolarHBondContact N-OD2 2.95Å; Q300-D303 WeakPolarHBondContact O-CB 3.35Å; Q300-D303 PolarHBondContact O-N 2.94Å
301V79.7Confident73.1Confident20 Ų2071.3 Ų71.312%0.12136%0.358CS..G310 helixtrans-52.1-35.4174.3178.80000112.3D238 R241 Q242 L245 D303 I304D238-V301 HydrophobicContact CB-CG1 4.44Å; D238-V301 WeakPolarHBondContact O-CG2 3.33Å; R241-V301 HydrophobicContact CB-CB 4.39Å; R241-V301 HydrophobicContact CB-CG1 3.89Å; R241-V301 HydrophobicContact CB-CG2 3.53Å; R241-V301 HydrophobicContact CG-CG1 4.47Å; Q242-V301 HydrophobicContact CB-CG2 3.81Å; Q242-V301 VanDerWaalsContact N-CG2 3.29Å; L245-V301 HydrophobicContact CD1-CG2 4.02Å; V301-D303 PolarHBondContact O-N 3.41Å; V301-I304 PolarHBondContact O-N 3.28Å; V301-I304 VanDerWaalsContact O-N 3.14Å
302K78.3Confident75.4Confident182 Ų18270.5 Ų70.579%0.79135%0.35SS*.G310 helixtrans-62.8-24.8178.4-62.7-179.4-179.4179.30113.7Q300 I304Q300-K302 PolarHBondContact O-N 3.41Å; Q300-K302 VanDerWaalsContact O-N 3.09Å; K302-I304 VanDerWaalsContact C-N 3.27Å
303D76.4Confident77.3Confident98 Ų9873.4 Ų73.452%0.52436%0.362SS..G310 helixtrans-85.3-5.7-178.1-51-40.6000111.5V299 Q300 V301 P305V299-D303 HydrophobicContact CG1-CB 4.25Å; Q300-D303 WeakPolarHBondContact CB-OD2 3.48Å; Q300-D303 PolarHBondContact N-OD2 2.95Å; Q300-D303 WeakPolarHBondContact O-CB 3.35Å; Q300-D303 PolarHBondContact O-N 2.94Å; V301-D303 PolarHBondContact O-N 3.41Å; D303-P305 WeakPolarHBondContact O-CD 3.47Å
304I76.3Confident78.8Confident19 Ų1970.3 Ų70.310%0.09735%0.345CS..  trans-104.7110.1-175.9-56.5-174.2000110.1L245 L265 V299 V301 K302 F307 L310L245-I304 HydrophobicContact CD1-CD1 3.37Å; L245-I304 HydrophobicContact CD1-CG1 4.4Å; L245-I304 HydrophobicContact CD2-CD1 3.27Å; L245-I304 HydrophobicContact CG-CD1 3.88Å; L265-I304 HydrophobicContact CD1-CD1 4.26Å; V299-I304 HydrophobicContact CG1-CD1 3.75Å; V299-I304 HydrophobicContact CG1-CG1 3.63Å; V301-I304 PolarHBondContact O-N 3.28Å; V301-I304 VanDerWaalsContact O-N 3.14Å; K302-I304 VanDerWaalsContact C-N 3.27Å; I304-F307 HydrophobicContact CD1-CD2 4.4Å; I304-F307 HydrophobicContact CG2-CD2 4.46Å; I304-L310 HydrophobicContact CD1-CD1 3.78Å; I304-L310 HydrophobicContact CG2-CD1 4.07Å
305P69.4Low80.5Confident132 Ų13261.6 Ų61.686%0.85731%0.313SS*.SBendtrans-73-29.8-176.727.1-33.4000113.2D303D303-P305 WeakPolarHBondContact O-CD 3.47Å
306N80.5Confident82.2Confident58 Ų5858.1 Ų58.131%0.3131%0.307SS..  trans-143.198.1177.1-169.10.3000112.6E308 Q309N306-E308 PolarHBondContact O-N 2.89Å; N306-E308 VanDerWaalsContact OD1-CB 3.23Å; N306-E308 WeakPolarHBondContact OD1-CB 3.36Å; N306-E308 WeakPolarHBondContact OD1-CG 3.41Å; N306-E308 PolarHBondContact OD1-N 2.81Å; N306-Q309 HydrophobicContact CB-CG 4.39Å; N306-Q309 PolarHBondContact O-N 3.19Å
307F85.8Confident83.5Confident12 Ų1258 Ų585%0.05331%0.306CS..G310 helixtrans-68.8-19.5178.1-162.1-89.6000113.3R241 Y244 L245 I304 Q309 L310 S311 L314 E315R241-F307 HydrophobicContact CB-CD2 4.03Å; R241-F307 HydrophobicContact CB-CE2 3.73Å; R241-F307 HydrophobicContact CB-CZ 4.01Å; R241-F307 HydrophobicContact CG-CD1 4.05Å; R241-F307 HydrophobicContact CG-CD2 4.02Å; R241-F307 HydrophobicContact CG-CE1 4.06Å; R241-F307 HydrophobicContact CG-CE2 4.01Å; R241-F307 HydrophobicContact CG-CG 4.04Å; R241-F307 HydrophobicContact CG-CZ 4.04Å; Y244-F307 HydrophobicContact CD1-CE2 4.3Å; Y244-F307 AromaticContact CD1-CZ 3.78Å; Y244-F307 HydrophobicContact CD1-CZ 3.78Å; Y244-F307 HydrophobicContact CD2-CZ 4.48Å; Y244-F307 AromaticContact CG-CZ 3.78Å; Y244-F307 HydrophobicContact CG-CZ 3.78Å; L245-F307 HydrophobicContact CD2-CE2 4.19Å; L245-F307 HydrophobicContact CG-CE2 4.26Å; I304-F307 HydrophobicContact CD1-CD2 4.4Å; I304-F307 HydrophobicContact CG2-CD2 4.46Å; F307-Q309 PolarHBondContact O-N 3.14Å; F307-L310 HydrophobicContact CD2-CD1 4.16Å; F307-L310 HydrophobicContact CE2-CD1 4.29Å; F307-L310 PolarHBondContact O-N 3Å; F307-S311 PolarHBondContact O-N 3.15Å; F307-S311 VanDerWaalsContact O-N 3.15Å; F307-L314 HydrophobicContact CE1-CD2 3.76Å; F307-L314 HydrophobicContact CE1-CG 4.2Å; F307-L314 HydrophobicContact CZ-CD2 4.08Å; F307-E315 HydrophobicContact CD1-CB 4.36Å
308E85.5Confident84.6Confident83 Ų8357.1 Ų57.139%0.38830%0.301SS..G310 helixtrans-60.5-30.1176.8-64.1-178154.300112.6N306 L310 P312 E315 K319N306-E308 PolarHBondContact O-N 2.89Å; N306-E308 VanDerWaalsContact OD1-CB 3.23Å; N306-E308 WeakPolarHBondContact OD1-CB 3.36Å; N306-E308 WeakPolarHBondContact OD1-CG 3.41Å; N306-E308 PolarHBondContact OD1-N 2.81Å; E308-L310 PolarHBondContact O-N 2.89Å; E308-P312 WeakPolarHBondContact O-CD 3.41Å; E308-E315 HydrophobicContact CB-CG 4.49Å; E308-E315 HydrophobicContact CG-CB 4.04Å; E308-E315 HydrophobicContact CG-CG 3.47Å; E308-E315 VanDerWaalsContact CG-CG 3.47Å; E308-K319 IonicContact OE1-NZ 3.92Å; E308-K319 PolarHBondContact OE1-NZ 3.34Å
309Q84.2Confident85.5Confident150 Ų15058.8 Ų58.870%0.70131%0.307SS*.G310 helixtrans-68-27.2177.6-67-178.7-10.200112.1N306 F307N306-Q309 HydrophobicContact CB-CG 4.39Å; N306-Q309 PolarHBondContact O-N 3.19Å; F307-Q309 PolarHBondContact O-N 3.14Å
310L85.3Confident86.3Confident9 Ų964.2 Ų64.25%0.04733%0.33CS..THydrogen-bonded Turntrans-86.3-44.4-179.2-67.2170.2000112R34 Y244 L245 V261 L265 I304 F307 E308R34-L310 PolarHBondContact NH2-O 2.91Å; Y244-L310 HydrophobicContact CE1-CB 4.32Å; Y244-L310 PolarHBondContact OH-O 2.95Å; L245-L310 HydrophobicContact CD2-CD1 4.09Å; V261-L310 HydrophobicContact CG1-CD2 3.45Å; V261-L310 VanDerWaalsContact CG1-CD2 3.45Å; L265-L310 HydrophobicContact CD1-CD1 3.65Å; L265-L310 HydrophobicContact CD1-CD2 3.75Å; L265-L310 HydrophobicContact CD1-CG 4.25Å; L265-L310 HydrophobicContact CD2-CD1 4.35Å; L265-L310 HydrophobicContact CD2-CD2 4.12Å; L265-L310 HydrophobicContact CD2-CG 4.42Å; L265-L310 HydrophobicContact CG-CD2 4.3Å; I304-L310 HydrophobicContact CD1-CD1 3.78Å; I304-L310 HydrophobicContact CG2-CD1 4.07Å; F307-L310 HydrophobicContact CD2-CD1 4.16Å; F307-L310 HydrophobicContact CE2-CD1 4.29Å; F307-L310 PolarHBondContact O-N 3Å; E308-L310 PolarHBondContact O-N 2.89Å
311S90.8Very high86.9Confident0 Ų060.7 Ų60.70%031%0.314CS..  trans-151.788.4-177.1-161.40000110.9Q33 F307 E313 L314 E315Q33-S311 VanDerWaalsContact CD-OG 3.31Å; Q33-S311 PolarHBondContact NE2-OG 2.99Å; Q33-S311 PolarHBondContact OE1-OG 3.27Å; F307-S311 PolarHBondContact O-N 3.15Å; F307-S311 VanDerWaalsContact O-N 3.15Å; S311-E313 VanDerWaalsContact C-N 3.32Å; S311-E313 PolarHBondContact O-N 2.94Å; S311-L314 PolarHBondContact O-N 3.25Å; S311-L314 WeakPolarHBondContact OG-CB 2.88Å; S311-E315 WeakPolarHBondContact O-CB 3.36Å; S311-E315 PolarHBondContact O-N 2.88Å
312P91.9Very high87.5Confident83 Ų8361.3 Ų61.354%0.53932%0.319SS..Hα-helixtrans-65.8-35.6-177.125-33.3000112E308 A316E308-P312 WeakPolarHBondContact O-CD 3.41Å; P312-A316 WeakPolarHBondContact O-CB 3.32Å; P312-A316 PolarHBondContact O-N 3.35Å
313E92.6Very high88Confident127 Ų12756.9 Ų56.959%0.59331%0.307SS*.Hα-helixtrans-66.1-44.5178.5-65-177-174.700112.1S311 A317S311-E313 VanDerWaalsContact C-N 3.32Å; S311-E313 PolarHBondContact O-N 2.94Å; E313-A317 WeakPolarHBondContact O-CB 3.34Å; E313-A317 PolarHBondContact O-N 3.43Å
314L93.6Very high88.5Confident0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-64.7-45176.9176.555.7000111E29 V64 Y244 F307 S311 A317 L318E29-L314 HydrophobicContact CG-CB 4.2Å; E29-L314 HydrophobicContact CG-CD2 4.48Å; V64-L314 HydrophobicContact CG2-CD1 3.48Å; V64-L314 VanDerWaalsContact CG2-CD1 3.48Å; Y244-L314 HydrophobicContact CD2-CD2 3.7Å; Y244-L314 HydrophobicContact CG-CD2 4.16Å; F307-L314 HydrophobicContact CE1-CD2 3.76Å; F307-L314 HydrophobicContact CE1-CG 4.2Å; F307-L314 HydrophobicContact CZ-CD2 4.08Å; S311-L314 PolarHBondContact O-N 3.25Å; S311-L314 WeakPolarHBondContact OG-CB 2.88Å; L314-A317 WeakPolarHBondContact O-CB 3.46Å; L314-A317 PolarHBondContact O-N 3.3Å; L314-L318 HydrophobicContact CD1-CD1 4.13Å; L314-L318 HydrophobicContact CD1-CG 4.16Å; L314-L318 HydrophobicContact CG-CD1 4.17Å; L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.26Å
315E93.8Very high88.9Confident13 Ų1359.6 Ų59.66%0.06131%0.314CS..Hα-helixtrans-67.5-38.7-179.8-170.956.4-15500111.9R241 F307 E308 S311 L318 K319R241-E315 IonicContact CZ-OE1 3.37Å; R241-E315 IonicContact CZ-OE2 3.9Å; R241-E315 IonicContact NE-OE1 2.78Å; R241-E315 IonicContact NE-OE2 3.67Å; R241-E315 PolarHBondContact NE-OE2 3.15Å; R241-E315 IonicContact NH2-OE1 3.45Å; R241-E315 PolarHBondContact NH2-OE1 2.94Å; R241-E315 IonicContact NH2-OE2 2.73Å; R241-E315 PolarHBondContact NH2-OE2 3.02Å; F307-E315 HydrophobicContact CD1-CB 4.36Å; E308-E315 HydrophobicContact CB-CG 4.49Å; E308-E315 HydrophobicContact CG-CB 4.04Å; E308-E315 HydrophobicContact CG-CG 3.47Å; E308-E315 VanDerWaalsContact CG-CG 3.47Å; S311-E315 WeakPolarHBondContact O-CB 3.36Å; S311-E315 PolarHBondContact O-N 2.88Å; E315-L318 PolarHBondContact O-N 2.92Å; E315-K319 HydrophobicContact CG-CD 4.31Å; E315-K319 WeakPolarHBondContact O-CB 3.33Å; E315-K319 VanDerWaalsContact O-CG 3.32Å; E315-K319 WeakPolarHBondContact O-CG 3.48Å; E315-K319 PolarHBondContact O-N 3.48Å; E315-K319 WeakPolarHBondContact OE1-CE 3.33Å
316A94.1Very high89.7Confident59 Ų5958.6 Ų58.649%0.48831%0.307SS..Hα-helixtrans-62.2-44.7173.300000111.8P312 K319 K320P312-A316 WeakPolarHBondContact O-CB 3.32Å; P312-A316 PolarHBondContact O-N 3.35Å; A316-K319 PolarHBondContact O-N 3.06Å; A316-K320 VanDerWaalsContact O-CB 3.27Å; A316-K320 WeakPolarHBondContact O-CB 3.37Å; A316-K320 PolarHBondContact O-N 3.34Å
317A94.5Very high90.2Very high3 Ų357.6 Ų57.63%0.02531%0.305CS..Hα-helixtrans-59.4-46.5174.600000111.8V64 D65 C68 E313 L314 A321V64-A317 HydrophobicContact CG1-CB 4.16Å; D65-A317 HydrophobicContact CB-CB 4.13Å; C68-A317 HydrophobicContact CB-CB 4.39Å; E313-A317 WeakPolarHBondContact O-CB 3.34Å; E313-A317 PolarHBondContact O-N 3.43Å; L314-A317 WeakPolarHBondContact O-CB 3.46Å; L314-A317 PolarHBondContact O-N 3.3Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 3.15Å
318L94.1Very high90.5Very high1 Ų162.3 Ų62.31%0.00534%0.336CS..Hα-helixtrans-64-46.5177.4-72.2174.5000111.9L22 C68 L72 A237 C240 R241 L314 E315 K320 A321 C322L22-L318 HydrophobicContact CD1-CD2 3.88Å; C68-L318 HydrophobicContact CB-CD2 4.47Å; L72-L318 HydrophobicContact CD1-CD2 4.23Å; A237-L318 HydrophobicContact CB-CD1 4.47Å; A237-L318 HydrophobicContact CB-CD2 4Å; C240-L318 HydrophobicContact CB-CD1 4.09Å; C240-L318 HydrophobicContact CB-CD2 3.95Å; R241-L318 HydrophobicContact CG-CD1 3.97Å; L314-L318 HydrophobicContact CD1-CD1 4.13Å; L314-L318 HydrophobicContact CD1-CG 4.16Å; L314-L318 HydrophobicContact CG-CD1 4.17Å; L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.26Å; E315-L318 PolarHBondContact O-N 2.92Å; L318-K320 PolarHBondContact O-N 2.97Å; L318-A321 CarbonylContact O-C 3.58Å; L318-A321 PolarHBondContact O-N 3.23Å; L318-C322 VanDerWaalsContact O-CB 3.26Å; L318-C322 WeakPolarHBondContact O-CB 3.44Å; L318-C322 PolarHBondContact O-N 3.19Å; L318-C322 PolarHBondContact O-SG 3.01Å; L318-C322 VanDerWaalsContact O-SG 3.32Å
319K93.2Very high90.6Very high100 Ų10066.8 Ų66.844%0.43535%0.35SS..Hα-helixtrans-61.1-46178-75.9179.8178-175.90111.9E308 E315 A316 C322 T323E308-K319 IonicContact OE1-NZ 3.92Å; E308-K319 PolarHBondContact OE1-NZ 3.34Å; E315-K319 HydrophobicContact CG-CD 4.31Å; E315-K319 WeakPolarHBondContact O-CB 3.33Å; E315-K319 VanDerWaalsContact O-CG 3.32Å; E315-K319 WeakPolarHBondContact O-CG 3.48Å; E315-K319 PolarHBondContact O-N 3.48Å; E315-K319 WeakPolarHBondContact OE1-CE 3.33Å; A316-K319 PolarHBondContact O-N 3.06Å; K319-C322 PolarHBondContact O-N 3.12Å; K319-T323 PolarHBondContact O-N 3.18Å; K319-T323 PolarHBondContact O-OG1 3Å
320K93.3Very high90.7Very high121 Ų12160.6 Ų60.653%0.52632%0.324SS..Hα-helixtrans-60.5-48.5174.8178179.7160.5-153.20110.9D65 A316 L318 C322 T323D65-K320 WeakPolarHBondContact OD1-CD 3.36Å; D65-K320 IonicContact OD1-NZ 2.97Å; D65-K320 PolarHBondContact OD1-NZ 2.69Å; D65-K320 IonicContact OD2-NZ 3.55Å; D65-K320 PolarHBondContact OD2-NZ 2.91Å; A316-K320 VanDerWaalsContact O-CB 3.27Å; A316-K320 WeakPolarHBondContact O-CB 3.37Å; A316-K320 PolarHBondContact O-N 3.34Å; L318-K320 PolarHBondContact O-N 2.97Å; K320-C322 VanDerWaalsContact C-N 3.3Å; K320-C322 PolarHBondContact O-N 3.23Å; K320-T323 VanDerWaalsContact O-CB 3.29Å; K320-T323 WeakPolarHBondContact O-CB 3.48Å; K320-T323 PolarHBondContact O-N 3.26Å; K320-T323 VanDerWaalsContact O-N 3.15Å; K320-T323 PolarHBondContact O-OG1 3.45Å
321A91.8Very high90.9Very high5 Ų568.3 Ų68.34%0.04135%0.353CS..Hα-helixtrans-69.2-24.6-179.800000113.2C68 L72 K76 A317 L318C68-A321 HydrophobicContact CB-CB 4.04Å; L72-A321 HydrophobicContact CB-CB 4.17Å; L72-A321 HydrophobicContact CD1-CB 3.43Å; L72-A321 VanDerWaalsContact CD1-CB 3.43Å; L72-A321 HydrophobicContact CG-CB 4.41Å; K76-A321 WeakPolarHBondContact CE-O 3.37Å; K76-A321 PolarHBondContact NZ-O 2.93Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 3.15Å; L318-A321 CarbonylContact O-C 3.58Å; L318-A321 PolarHBondContact O-N 3.23Å
322C91.8Very high90.9Very high32 Ų3272.2 Ų72.222%0.21637%0.37CS..Hα-helixtrans-83.9-17.4172.6-74.50000113.2L318 K319 K320 R324L318-C322 VanDerWaalsContact O-CB 3.26Å; L318-C322 WeakPolarHBondContact O-CB 3.44Å; L318-C322 PolarHBondContact O-N 3.19Å; L318-C322 PolarHBondContact O-SG 3.01Å; L318-C322 VanDerWaalsContact O-SG 3.32Å; K319-C322 PolarHBondContact O-N 3.12Å; K320-C322 VanDerWaalsContact C-N 3.3Å; K320-C322 PolarHBondContact O-N 3.23Å; C322-R324 PolarHBondContact O-N 3.36Å; C322-R324 VanDerWaalsContact O-N 3.09Å
323T90.3Very high90.6Very high89 Ų8971.9 Ų71.955%0.54636%0.358SS..PPolyproline II helixtrans-58.6117.7-178.9-62.40000110.2K76 K319 K320K76-T323 PolarHBondContact NZ-O 3.36Å; K319-T323 PolarHBondContact O-N 3.18Å; K319-T323 PolarHBondContact O-OG1 3Å; K320-T323 VanDerWaalsContact O-CB 3.29Å; K320-T323 WeakPolarHBondContact O-CB 3.48Å; K320-T323 PolarHBondContact O-N 3.26Å; K320-T323 VanDerWaalsContact O-N 3.15Å; K320-T323 PolarHBondContact O-OG1 3.45Å
324R86.6Confident90.3Very high111 Ų11170.5 Ų70.542%0.41935%0.347SS..PPolyproline II helixtrans-85.3158.5-179.7-62.8-172.5168.2136.6-12.3110.6E79 L233 C322 P326E79-R324 IonicContact OE1-NH2 2.74Å; E79-R324 IonicContact OE2-NE 3.74Å; E79-R324 IonicContact OE2-NH2 2.82Å; L233-R324 HydrophobicContact CD1-CG 4.23Å; C322-R324 PolarHBondContact O-N 3.36Å; C322-R324 VanDerWaalsContact O-N 3.09Å; R324-P326 WeakPolarHBondContact O-CD 3.33Å; R324-P326 VanDerWaalsContact O-N 3.16Å
325D84.4Confident90.1Very high64 Ų6472.4 Ų72.434%0.34236%0.361SS..PPolyproline II helixtrans-53.5118.9174.9-173-28.1000110.1R80 S327 A330 R334R80-D325 IonicContact NH2-OD2 3.84Å; D325-S327 PolarHBondContact O-N 2.59Å; D325-S327 WeakPolarHBondContact OD1-CB 3.39Å; D325-S327 PolarHBondContact OD1-N 2.96Å; D325-S327 PolarHBondContact OD1-OG 3.42Å; D325-A330 HydrophobicContact CB-CB 3.89Å; D325-R334 PolarHBondContact O-NH2 3.27Å
326P85.7Confident90Very high110 Ų11073.9 Ų73.971%0.71438%0.38SS*.  trans-79.2-7.4-175.731.8-35000113R324R324-P326 WeakPolarHBondContact O-CD 3.33Å; R324-P326 VanDerWaalsContact O-N 3.16Å
327S91.1Very high90Very high37 Ų3775.3 Ų75.326%0.25938%0.384SS..  trans-57139.4-173.662.10000112.3D325 W329 A330 R331D325-S327 PolarHBondContact O-N 2.59Å; D325-S327 WeakPolarHBondContact OD1-CB 3.39Å; D325-S327 PolarHBondContact OD1-N 2.96Å; D325-S327 PolarHBondContact OD1-OG 3.42Å; S327-W329 PolarHBondContact O-N 2.88Å; S327-A330 PolarHBondContact O-N 3.18Å; S327-A330 VanDerWaalsContact O-N 3.13Å; S327-A330 WeakPolarHBondContact OG-CB 3.39Å; S327-A330 PolarHBondContact OG-N 3.46Å; S327-R331 WeakPolarHBondContact O-CG 3.44Å; S327-R331 PolarHBondContact O-N 3.03Å
328P91.4Very high89.8Confident111 Ų11175.2 Ų75.272%0.72138%0.383SS*.Hα-helixtrans-54.6-36.6178-26.234.1000112.4R331 F332P328-R331 PolarHBondContact O-N 3.08Å; P328-F332 PolarHBondContact O-N 3.4Å
329W88Confident89.6Confident178 Ų17880.1 Ų80.167%0.67441%0.406SS*.Hα-helixtrans-62.4-52.1175.8-172.3-110.2000112.6S327 R331 F332 W333S327-W329 PolarHBondContact O-N 2.88Å; W329-R331 PolarHBondContact O-N 3.22Å; W329-F332 PolarHBondContact O-N 3.33Å; W329-W333 AromaticContact CD1-CD1 3.87Å; W329-W333 AromaticContact CD2-CD1 3.9Å; W329-W333 AromaticContact CD2-NE1 3.55Å; W329-W333 AromaticContact CE2-CD1 3.62Å; W329-W333 AromaticContact CE2-NE1 2.97Å; W329-W333 HydrophobicContact CH2-CZ2 4.06Å; W329-W333 AromaticContact CH2-NE1 3.57Å; W329-W333 AromaticContact CZ2-CE2 3.75Å; W329-W333 AromaticContact CZ2-CZ2 3.9Å; W329-W333 HydrophobicContact CZ2-CZ2 3.9Å; W329-W333 AromaticContact CZ2-NE1 3Å; W329-W333 AromaticContact NE1-CD1 3.55Å; W329-W333 AromaticContact NE1-NE1 3.28Å; W329-W333 VanDerWaalsContact O-CD1 3.26Å; W329-W333 PolarHBondContact O-N 3.43Å; W329-W333 VanDerWaalsContact O-N 3.15Å
330A87.3Confident89.5Confident19 Ų1979.4 Ų79.416%0.15741%0.41CS..Hα-helixtrans-63.1-33.5177.100000111.8D325 S327 R334D325-A330 HydrophobicContact CB-CB 3.89Å; S327-A330 PolarHBondContact O-N 3.18Å; S327-A330 VanDerWaalsContact O-N 3.13Å; S327-A330 WeakPolarHBondContact OG-CB 3.39Å; S327-A330 PolarHBondContact OG-N 3.46Å; A330-R334 WeakPolarHBondContact O-CG 3.37Å; A330-R334 PolarHBondContact O-N 2.97Å; A330-R334 PolarHBondContact O-NE 3.11Å; A330-R334 PolarHBondContact O-NH2 3.34Å
331R88.4Confident89.5Confident171 Ų17177 Ų7765%0.64540%0.402SS*.Hα-helixtrans-65.6-42.5174.6-73.4177.460.7-178.1-1.9111.8S327 P328 W329 R334 S335S327-R331 WeakPolarHBondContact O-CG 3.44Å; S327-R331 PolarHBondContact O-N 3.03Å; P328-R331 PolarHBondContact O-N 3.08Å; W329-R331 PolarHBondContact O-N 3.22Å; R331-R334 PolarHBondContact O-N 2.79Å; R331-S335 PolarHBondContact O-N 2.94Å; R331-S335 VanDerWaalsContact O-N 3.15Å
332F90.5Very high89.3Confident83 Ų8378.7 Ų78.736%0.36441%0.412SS..Hα-helixtrans-60.5-50.5177.3173.4-102.4000111.9P328 W329 R334 S335 P337 G338 L341P328-F332 PolarHBondContact O-N 3.4Å; W329-F332 PolarHBondContact O-N 3.33Å; F332-R334 PolarHBondContact O-N 3.41Å; F332-S335 VanDerWaalsContact O-CB 3.3Å; F332-S335 WeakPolarHBondContact O-CB 3.26Å; F332-S335 PolarHBondContact O-N 3.14Å; F332-S335 PolarHBondContact O-OG 3.49Å; F332-P337 HydrophobicContact CE2-CB 4.45Å; F332-G338 WeakPolarHBondContact O-CA 3.42Å; F332-L341 HydrophobicContact CE1-CD2 4.18Å; F332-L341 HydrophobicContact CZ-CD2 4.35Å
333W87.3Confident89.3Confident76 Ų7683.4 Ų83.429%0.28843%0.426SS..Hα-helixtrans-64.6-23.7-179.3-73.6108.2000114.4W329 L341 T342W329-W333 AromaticContact CD1-CD1 3.87Å; W329-W333 AromaticContact CD2-CD1 3.9Å; W329-W333 AromaticContact CD2-NE1 3.55Å; W329-W333 AromaticContact CE2-CD1 3.62Å; W329-W333 AromaticContact CE2-NE1 2.97Å; W329-W333 HydrophobicContact CH2-CZ2 4.06Å; W329-W333 AromaticContact CH2-NE1 3.57Å; W329-W333 AromaticContact CZ2-CE2 3.75Å; W329-W333 AromaticContact CZ2-CZ2 3.9Å; W329-W333 HydrophobicContact CZ2-CZ2 3.9Å; W329-W333 AromaticContact CZ2-NE1 3Å; W329-W333 AromaticContact NE1-CD1 3.55Å; W329-W333 AromaticContact NE1-NE1 3.28Å; W329-W333 VanDerWaalsContact O-CD1 3.26Å; W329-W333 PolarHBondContact O-N 3.43Å; W329-W333 VanDerWaalsContact O-N 3.15Å; W333-L341 HydrophobicContact CH2-CD2 3.68Å; W333-L341 HydrophobicContact CH2-CG 4.07Å; W333-L341 HydrophobicContact CZ2-CD2 4.46Å; W333-L341 HydrophobicContact CZ3-CB 4.21Å; W333-L341 HydrophobicContact CZ3-CD2 3.97Å; W333-L341 HydrophobicContact CZ3-CG 4.06Å; W333-T342 WeakPolarHBondContact CZ3-OG1 3.45Å
334R86.2Confident89.4Confident97 Ų9786.1 Ų86.137%0.36643%0.434SS..Hα-helixtrans-84.8-13.9172.6-73.9176.8-70.2161.6-7113.7D325 A330 R331 F332D325-R334 PolarHBondContact O-NH2 3.27Å; A330-R334 WeakPolarHBondContact O-CG 3.37Å; A330-R334 PolarHBondContact O-N 2.97Å; A330-R334 PolarHBondContact O-NE 3.11Å; A330-R334 PolarHBondContact O-NH2 3.34Å; R331-R334 PolarHBondContact O-N 2.79Å; F332-R334 PolarHBondContact O-N 3.41Å
335S89.3Confident89.6Confident41 Ų4184.5 Ų84.529%0.28743%0.434SS..SBendtrans-74.5158.9176.376.10000110.8R331 F332 P337 G338 Q339R331-S335 PolarHBondContact O-N 2.94Å; R331-S335 VanDerWaalsContact O-N 3.15Å; F332-S335 VanDerWaalsContact O-CB 3.3Å; F332-S335 WeakPolarHBondContact O-CB 3.26Å; F332-S335 PolarHBondContact O-N 3.14Å; F332-S335 PolarHBondContact O-OG 3.49Å; S335-P337 WeakPolarHBondContact OG-CD 3.35Å; S335-G338 PolarHBondContact O-N 2.74Å; S335-G338 VanDerWaalsContact O-N 3.08Å; S335-G338 PolarHBondContact OG-N 2.96Å; S335-Q339 PolarHBondContact O-N 3.45Å
336G91.9Very high89.9Confident44 Ų4482.3 Ų82.345%0.45442%0.422SS..Hα-helixtrans-50.2-49176.100000113.5G338 Q339 V340G336-G338 PolarHBondContact O-N 2.73Å; G336-Q339 PolarHBondContact O-N 3.13Å; G336-V340 WeakPolarHBondContact O-CG2 3.44Å; G336-V340 PolarHBondContact O-N 2.59Å
337P92.6Very high90.2Very high89 Ų8981.7 Ų81.758%0.57842%0.418SS*.Hα-helixtrans-58.9-41.5175.5-26.934.7000114.1F332 S335 V340 L341F332-P337 HydrophobicContact CE2-CB 4.45Å; S335-P337 WeakPolarHBondContact OG-CD 3.35Å; P337-V340 PolarHBondContact O-N 2.97Å; P337-L341 WeakPolarHBondContact O-CB 3.39Å; P337-L341 PolarHBondContact O-N 2.82Å
338G90.8Very high90.1Very high0 Ų084 Ų840%043%0.433CS..Hα-helixtrans-64.7-42177.200000112.3F332 S335 G336 L341 T342F332-G338 WeakPolarHBondContact O-CA 3.42Å; S335-G338 PolarHBondContact O-N 2.74Å; S335-G338 VanDerWaalsContact O-N 3.08Å; S335-G338 PolarHBondContact OG-N 2.96Å; G336-G338 PolarHBondContact O-N 2.73Å; G338-L341 PolarHBondContact O-N 3.22Å; G338-T342 PolarHBondContact O-N 2.93Å; G338-T342 PolarHBondContact O-OG1 3.41Å; G338-T342 VanDerWaalsContact O-OG1 3.06Å
339Q89.2Confident90Very high104 Ų10481.4 Ų81.449%0.48642%0.415SS..Hα-helixtrans-63.4-44.5174.9-70.5-177.4-16.100111.9S335 G336 L341 T342 Y343S335-Q339 PolarHBondContact O-N 3.45Å; G336-Q339 PolarHBondContact O-N 3.13Å; Q339-L341 VanDerWaalsContact C-N 3.3Å; Q339-L341 PolarHBondContact O-N 3.43Å; Q339-T342 WeakPolarHBondContact O-CB 3.47Å; Q339-T342 PolarHBondContact O-N 3.44Å; Q339-Y343 WeakPolarHBondContact O-CD2 3.12Å; Q339-Y343 PolarHBondContact O-N 3.34Å
340V92Very high90.1Very high86 Ų8675.2 Ų75.252%0.52140%0.395SS..Hα-helixtrans-58.2-44.8175.3170.90000110.6G336 P337 Y343 M344G336-V340 WeakPolarHBondContact O-CG2 3.44Å; G336-V340 PolarHBondContact O-N 2.59Å; P337-V340 PolarHBondContact O-N 2.97Å; V340-Y343 PolarHBondContact O-N 2.88Å; V340-M344 HydrophobicContact CG1-CE 4.46Å; V340-M344 HydrophobicContact CG1-CG 4.34Å; V340-M344 WeakPolarHBondContact O-CB 3.44Å; V340-M344 WeakPolarHBondContact O-CG 3.46Å; V340-M344 PolarHBondContact O-N 3.09Å
341L92.3Very high90.3Very high69 Ų6977.7 Ų77.736%0.36141%0.409SS..Hα-helixtrans-61.3-45.3176.4-177.362.4000111.9F332 W333 P337 G338 Q339 Y343 M344 L345F332-L341 HydrophobicContact CE1-CD2 4.18Å; F332-L341 HydrophobicContact CZ-CD2 4.35Å; W333-L341 HydrophobicContact CH2-CD2 3.68Å; W333-L341 HydrophobicContact CH2-CG 4.07Å; W333-L341 HydrophobicContact CZ2-CD2 4.46Å; W333-L341 HydrophobicContact CZ3-CB 4.21Å; W333-L341 HydrophobicContact CZ3-CD2 3.97Å; W333-L341 HydrophobicContact CZ3-CG 4.06Å; P337-L341 WeakPolarHBondContact O-CB 3.39Å; P337-L341 PolarHBondContact O-N 2.82Å; G338-L341 PolarHBondContact O-N 3.22Å; Q339-L341 VanDerWaalsContact C-N 3.3Å; Q339-L341 PolarHBondContact O-N 3.43Å; L341-Y343 VanDerWaalsContact C-N 3.33Å; L341-Y343 PolarHBondContact O-N 3.33Å; L341-M344 PolarHBondContact O-N 3.07Å; L341-L345 HydrophobicContact CD1-CD1 3.87Å; L341-L345 HydrophobicContact CD1-CG 4.11Å; L341-L345 HydrophobicContact CG-CD1 3.93Å; L341-L345 HydrophobicContact CG-CG 4.5Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 WeakPolarHBondContact O-CG 3.23Å; L341-L345 PolarHBondContact O-N 3Å
342T89Confident90.4Very high41 Ų4177.1 Ų77.125%0.25241%0.412SS..Hα-helixtrans-56-47.9175.6-59.60000111.2W333 G338 Q339 L345 L346W333-T342 WeakPolarHBondContact CZ3-OG1 3.45Å; G338-T342 PolarHBondContact O-N 2.93Å; G338-T342 PolarHBondContact O-OG1 3.41Å; G338-T342 VanDerWaalsContact O-OG1 3.06Å; Q339-T342 WeakPolarHBondContact O-CB 3.47Å; Q339-T342 PolarHBondContact O-N 3.44Å; T342-L345 PolarHBondContact O-N 3.32Å; T342-L346 WeakPolarHBondContact O-CB 3.1Å; T342-L346 PolarHBondContact O-N 3.03Å
343Y90.4Very high90.4Very high132 Ų13276.2 Ų76.252%0.51841%0.409SS..Hα-helixtrans-70.5-33.6-179.1-74.2-64.5000113L83 Q339 V340 L341 L346L83-Y343 HydrophobicContact CD2-CE1 4.29Å; Q339-Y343 WeakPolarHBondContact O-CD2 3.12Å; Q339-Y343 PolarHBondContact O-N 3.34Å; V340-Y343 PolarHBondContact O-N 2.88Å; L341-Y343 VanDerWaalsContact C-N 3.33Å; L341-Y343 PolarHBondContact O-N 3.33Å; Y343-L346 HydrophobicContact CD1-CD2 4.09Å; Y343-L346 WeakPolarHBondContact O-CB 3.16Å; Y343-L346 PolarHBondContact O-N 3.12Å
344M92.1Very high90.4Very high145 Ų14578.2 Ų78.271%0.71442%0.417SS*.Hα-helixtrans-67.2-36.5173.4-75.7-136.517500112.7V340 L341 L346 P347V340-M344 HydrophobicContact CG1-CE 4.46Å; V340-M344 HydrophobicContact CG1-CG 4.34Å; V340-M344 WeakPolarHBondContact O-CB 3.44Å; V340-M344 WeakPolarHBondContact O-CG 3.46Å; V340-M344 PolarHBondContact O-N 3.09Å; L341-M344 PolarHBondContact O-N 3.07Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-P347 WeakPolarHBondContact O-CD 3.48Å
345L91.8Very high90.7Very high77 Ų7778.2 Ų78.240%0.40343%0.428SS..Hα-helixtrans-82.1-11.7177.4-66.8174.3000113.1L341 T342 C348 T349L341-L345 HydrophobicContact CD1-CD1 3.87Å; L341-L345 HydrophobicContact CD1-CG 4.11Å; L341-L345 HydrophobicContact CG-CD1 3.93Å; L341-L345 HydrophobicContact CG-CG 4.5Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 WeakPolarHBondContact O-CG 3.23Å; L341-L345 PolarHBondContact O-N 3Å; T342-L345 PolarHBondContact O-N 3.32Å; L345-C348 PolarHBondContact O-N 3.22Å; L345-C348 VanDerWaalsContact O-N 3.12Å; L345-T349 HydrophobicContact CB-CG2 4.48Å; L345-T349 PolarHBondContact O-N 2.86Å; L345-T349 PolarHBondContact O-OG1 2.91Å
346L90.9Very high90.9Very high19 Ų1982.6 Ų82.610%0.09944%0.439CS..Hα-helixtrans-58.7-44.5-175.6-165.868.3000113.5S82 L83 T342 Y343 M344 C348 T349 L350S82-L346 VanDerWaalsContact OG-CD1 3.31Å; S82-L346 WeakPolarHBondContact OG-CD1 3.31Å; L83-L346 HydrophobicContact CD1-CD2 4.06Å; L83-L346 HydrophobicContact CD2-CD2 3.84Å; L83-L346 HydrophobicContact CG-CD2 3.91Å; T342-L346 WeakPolarHBondContact O-CB 3.1Å; T342-L346 PolarHBondContact O-N 3.03Å; Y343-L346 HydrophobicContact CD1-CD2 4.09Å; Y343-L346 WeakPolarHBondContact O-CB 3.16Å; Y343-L346 PolarHBondContact O-N 3.12Å; M344-L346 VanDerWaalsContact C-N 3.32Å; L346-C348 PolarHBondContact O-N 3.43Å; L346-C348 VanDerWaalsContact O-N 3.15Å; L346-T349 WeakPolarHBondContact CA-OG1 3.32Å; L346-T349 PolarHBondContact O-N 2.95Å; L346-T349 PolarHBondContact O-OG1 3.23Å; L346-L350 HydrophobicContact CD1-CB 4.11Å; L346-L350 HydrophobicContact CD1-CD1 4.27Å; L346-L350 HydrophobicContact CG-CB 4.2Å; L346-L350 HydrophobicContact CG-CD2 4.42Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 PolarHBondContact O-N 3.47Å
347P91.4Very high90.8Very high97 Ų9782.4 Ų82.463%0.6343%0.426SS*.Hα-helixtrans-60.1-27.7177.5-23.635.4000113.4M344 P351M344-P347 WeakPolarHBondContact O-CD 3.48Å; P347-P351 VanDerWaalsContact O-CD 3.25Å; P347-P351 WeakPolarHBondContact O-CD 3.32Å; P347-P351 WeakPolarHBondContact O-CG 3.06Å
348C88.9Confident90.5Very high86 Ų8684 Ų8458%0.58142%0.42SS*.Hα-helixtrans-86.9-36.8179-60.90000112.5L345 L346 F352L345-C348 PolarHBondContact O-N 3.22Å; L345-C348 VanDerWaalsContact O-N 3.12Å; L346-C348 PolarHBondContact O-N 3.43Å; L346-C348 VanDerWaalsContact O-N 3.15Å; C348-F352 WeakPolarHBondContact O-CD2 3.48Å; C348-F352 WeakPolarHBondContact O-CE2 3.41Å
349T89.9Confident90.4Very high56 Ų5686.4 Ų86.434%0.34444%0.437SS..Hα-helixtrans-88.2-40.4-17447.90000112.6L345 L346 F352 E353L345-T349 HydrophobicContact CB-CG2 4.48Å; L345-T349 PolarHBondContact O-N 2.86Å; L345-T349 PolarHBondContact O-OG1 2.91Å; L346-T349 WeakPolarHBondContact CA-OG1 3.32Å; L346-T349 PolarHBondContact O-N 2.95Å; L346-T349 PolarHBondContact O-OG1 3.23Å; T349-F352 PolarHBondContact O-N 2.74Å; T349-F352 VanDerWaalsContact O-N 3.13Å; T349-E353 WeakPolarHBondContact O-CG 3.03Å; T349-E353 PolarHBondContact O-N 2.95Å
350L89.7Confident90.4Very high48 Ų4886.2 Ų86.225%0.25143%0.432SS..Hα-helixtrans-58.5-40.5-174-171.971.2000113.8L83 P88 L346 F352 E353 Y354L83-L350 HydrophobicContact CD1-CD1 4.32Å; L83-L350 HydrophobicContact CD1-CD2 4.08Å; P88-L350 HydrophobicContact CG-CD1 4.31Å; L346-L350 HydrophobicContact CD1-CB 4.11Å; L346-L350 HydrophobicContact CD1-CD1 4.27Å; L346-L350 HydrophobicContact CG-CB 4.2Å; L346-L350 HydrophobicContact CG-CD2 4.42Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 PolarHBondContact O-N 3.47Å; L350-F352 VanDerWaalsContact C-N 3.34Å; L350-F352 PolarHBondContact O-N 2.96Å; L350-E353 PolarHBondContact O-N 3.43Å; L350-Y354 WeakPolarHBondContact O-CB 3.3Å; L350-Y354 PolarHBondContact O-N 3.44Å
351P91.3Very high90.2Very high70 Ų7085.6 Ų85.646%0.45542%0.42SS..Hα-helixtrans-61.4-41.3176.8-24.235.3000112.8P347 V355P347-P351 VanDerWaalsContact O-CD 3.25Å; P347-P351 WeakPolarHBondContact O-CD 3.32Å; P347-P351 WeakPolarHBondContact O-CG 3.06Å; P351-V355 WeakPolarHBondContact O-CG2 3.43Å; P351-V355 PolarHBondContact O-N 2.9Å
352F90.5Very high89.9Confident160 Ų16086.9 Ų86.970%0.70243%0.427SS*.Hα-helixtrans-70.1-44.6177.9-65.8-84.4000111.4C348 T349 L350 Y354 V355 Y356C348-F352 WeakPolarHBondContact O-CD2 3.48Å; C348-F352 WeakPolarHBondContact O-CE2 3.41Å; T349-F352 PolarHBondContact O-N 2.74Å; T349-F352 VanDerWaalsContact O-N 3.13Å; L350-F352 VanDerWaalsContact C-N 3.34Å; L350-F352 PolarHBondContact O-N 2.96Å; F352-Y354 VanDerWaalsContact C-N 3.3Å; F352-Y354 PolarHBondContact O-N 3.49Å; F352-V355 PolarHBondContact O-N 3.19Å; F352-Y356 VanDerWaalsContact O-CB 3.28Å; F352-Y356 WeakPolarHBondContact O-CB 3.42Å; F352-Y356 PolarHBondContact O-N 3.12Å
353E90.3Very high89.9Confident63 Ų6389.5 Ų89.529%0.29444%0.443SS..Hα-helixtrans-59.3-43.6175-70.9179.8152.900110.9H87 P88 T349 L350 Y356 F357H87-E353 IonicContact CE1-OE2 2.92Å; H87-E353 IonicContact NE2-OE2 3.52Å; H87-E353 PolarHBondContact NE2-OE2 2.77Å; H87-E353 VanDerWaalsContact NE2-OE2 3.09Å; P88-E353 HydrophobicContact CG-CB 4.46Å; T349-E353 WeakPolarHBondContact O-CG 3.03Å; T349-E353 PolarHBondContact O-N 2.95Å; L350-E353 PolarHBondContact O-N 3.43Å; E353-Y356 PolarHBondContact O-N 3.15Å; E353-F357 HydrophobicContact CB-CD2 4.22Å; E353-F357 HydrophobicContact CB-CE2 4.26Å; E353-F357 WeakPolarHBondContact O-CB 3.37Å; E353-F357 WeakPolarHBondContact O-CD2 3.47Å; E353-F357 PolarHBondContact O-N 3.29Å
354Y89Confident89.7Confident118 Ų11886.3 Ų86.346%0.46344%0.443SS..Hα-helixtrans-58.8-52.3176.7-176.4-93.5000111.5P88 L350 F352 Y356 F357 R358P88-Y354 HydrophobicContact CB-CD2 3.95Å; P88-Y354 HydrophobicContact CG-CD2 4.38Å; L350-Y354 WeakPolarHBondContact O-CB 3.3Å; L350-Y354 PolarHBondContact O-N 3.44Å; F352-Y354 VanDerWaalsContact C-N 3.3Å; F352-Y354 PolarHBondContact O-N 3.49Å; Y354-Y356 VanDerWaalsContact C-N 3.32Å; Y354-Y356 PolarHBondContact O-N 3.2Å; Y354-F357 PolarHBondContact O-N 2.91Å; Y354-R358 HydrophobicContact CD1-CG 4.04Å; Y354-R358 HydrophobicContact CD2-CG 4.17Å; Y354-R358 HydrophobicContact CE1-CG 3.76Å; Y354-R358 HydrophobicContact CE2-CG 3.88Å; Y354-R358 HydrophobicContact CG-CG 4.24Å; Y354-R358 WeakPolarHBondContact O-CB 3.42Å; Y354-R358 WeakPolarHBondContact O-CG 3.28Å; Y354-R358 PolarHBondContact O-N 3.44Å
355V91.9Very high89.3Confident98 Ų9883 Ų8359%0.59442%0.423SS*.Hα-helixtrans-60.2-43.1177.7172.60000111P351 F352 S359P351-V355 WeakPolarHBondContact O-CG2 3.43Å; P351-V355 PolarHBondContact O-N 2.9Å; F352-V355 PolarHBondContact O-N 3.19Å; V355-S359 WeakPolarHBondContact O-CB 3.4Å; V355-S359 PolarHBondContact O-N 3.06Å; V355-S359 PolarHBondContact O-OG 3.43Å
356Y92.6Very high89.1Confident133 Ų13384.7 Ų84.752%0.52243%0.432SS..Hα-helixtrans-62.7-52.9179175.8-97.9000112.4F352 E353 Y354 S359 R360F352-Y356 VanDerWaalsContact O-CB 3.28Å; F352-Y356 WeakPolarHBondContact O-CB 3.42Å; F352-Y356 PolarHBondContact O-N 3.12Å; E353-Y356 PolarHBondContact O-N 3.15Å; Y354-Y356 VanDerWaalsContact C-N 3.32Å; Y354-Y356 PolarHBondContact O-N 3.2Å; Y356-S359 PolarHBondContact O-N 2.91Å; Y356-S359 PolarHBondContact O-OG 3.24Å; Y356-R360 WeakPolarHBondContact O-CB 3.43Å; Y356-R360 PolarHBondContact O-N 2.91Å
357F90.1Very high89Confident39 Ų3988.6 Ų88.617%0.17146%0.458CS..Hα-helixtrans-70.1-35.7-178.1-73.5-67.1000112.2P88 A89 E353 Y354 R361P88-F357 HydrophobicContact CB-CB 4.17Å; P88-F357 HydrophobicContact CG-CD2 4.37Å; P88-F357 WeakPolarHBondContact O-CB 3.5Å; A89-F357 HydrophobicContact CB-CD1 3.89Å; A89-F357 HydrophobicContact CB-CD2 3.72Å; A89-F357 HydrophobicContact CB-CE1 3.55Å; A89-F357 HydrophobicContact CB-CE2 3.42Å; A89-F357 VanDerWaalsContact CB-CE2 3.42Å; A89-F357 HydrophobicContact CB-CG 3.99Å; A89-F357 HydrophobicContact CB-CZ 3.32Å; E353-F357 HydrophobicContact CB-CD2 4.22Å; E353-F357 HydrophobicContact CB-CE2 4.26Å; E353-F357 WeakPolarHBondContact O-CB 3.37Å; E353-F357 WeakPolarHBondContact O-CD2 3.47Å; E353-F357 PolarHBondContact O-N 3.29Å; Y354-F357 PolarHBondContact O-N 2.91Å; F357-R361 WeakPolarHBondContact O-CG 3.43Å; F357-R361 PolarHBondContact O-N 2.88Å
358R86.5Confident88.8Confident122 Ų12288.2 Ų88.246%0.4645%0.451SS..Hα-helixtrans-66.4-45.2174.6-69.4-67.3-63.9-152.2-1.4111.7Y354 R361 L362Y354-R358 HydrophobicContact CD1-CG 4.04Å; Y354-R358 HydrophobicContact CD2-CG 4.17Å; Y354-R358 HydrophobicContact CE1-CG 3.76Å; Y354-R358 HydrophobicContact CE2-CG 3.88Å; Y354-R358 HydrophobicContact CG-CG 4.24Å; Y354-R358 WeakPolarHBondContact O-CB 3.42Å; Y354-R358 WeakPolarHBondContact O-CG 3.28Å; Y354-R358 PolarHBondContact O-N 3.44Å; R358-R361 PolarHBondContact O-N 2.68Å; R358-L362 WeakPolarHBondContact O-CG 3.13Å; R358-L362 PolarHBondContact O-N 3.35Å
359S89.1Confident88.7Confident51 Ų5185.5 Ų85.536%0.35743%0.432SS..Hα-helixtrans-63.4-42.2176.257.50000111.6V355 Y356 R361 L362 V363V355-S359 WeakPolarHBondContact O-CB 3.4Å; V355-S359 PolarHBondContact O-N 3.06Å; V355-S359 PolarHBondContact O-OG 3.43Å; Y356-S359 PolarHBondContact O-N 2.91Å; Y356-S359 PolarHBondContact O-OG 3.24Å; S359-R361 VanDerWaalsContact C-N 3.34Å; S359-R361 PolarHBondContact O-N 3.35Å; S359-L362 WeakPolarHBondContact O-CB 3.44Å; S359-L362 PolarHBondContact O-N 3.11Å; S359-V363 WeakPolarHBondContact O-CG2 3.14Å; S359-V363 PolarHBondContact O-N 2.82Å
360R89.6Confident88.6Confident100 Ų10086.4 Ų86.438%0.37744%0.438SS..Hα-helixtrans-59.7-42.5175.4-162-176.988.7175.40.9112.5E94 Y356 V363 A364E94-R360 IonicContact OE2-NH2 3.19Å; Y356-R360 WeakPolarHBondContact O-CB 3.43Å; Y356-R360 PolarHBondContact O-N 2.91Å; R360-V363 PolarHBondContact O-N 2.84Å; R360-A364 WeakPolarHBondContact O-CB 3.49Å; R360-A364 PolarHBondContact O-N 3.02Å
361R86.9Confident88.6Confident73 Ų7387.6 Ų87.628%0.27545%0.448SS..Hα-helixtrans-66.2-40.4176.1-72.6179.5-164.8-156.43.8112.1P88 Y90 F357 R358 S359 V363 A364 W365P88-R361 PolarHBondContact O-NH2 2.85Å; Y90-R361 PolarHBondContact O-NH2 3.18Å; F357-R361 WeakPolarHBondContact O-CG 3.43Å; F357-R361 PolarHBondContact O-N 2.88Å; R358-R361 PolarHBondContact O-N 2.68Å; S359-R361 VanDerWaalsContact C-N 3.34Å; S359-R361 PolarHBondContact O-N 3.35Å; R361-V363 VanDerWaalsContact C-N 3.35Å; R361-A364 PolarHBondContact O-N 3.42Å; R361-W365 WeakPolarHBondContact O-CB 3.15Å; R361-W365 PolarHBondContact O-N 3.01Å
362L86.4Confident88.5Confident97 Ų9784.7 Ų84.751%0.50843%0.429SS..Hα-helixtrans-60.3-46.1174.5-74.2169.9000111R358 S359 A364 W365 L366R358-L362 WeakPolarHBondContact O-CG 3.13Å; R358-L362 PolarHBondContact O-N 3.35Å; S359-L362 WeakPolarHBondContact O-CB 3.44Å; S359-L362 PolarHBondContact O-N 3.11Å; L362-A364 PolarHBondContact O-N 3.14Å; L362-W365 HydrophobicContact CD2-CE3 4.24Å; L362-W365 PolarHBondContact O-N 3.49Å; L362-W365 VanDerWaalsContact O-N 3.17Å; L362-L366 WeakPolarHBondContact O-CG 3.31Å; L362-L366 PolarHBondContact O-N 3.41Å
363V88.5Confident88.4Confident95 Ų9581.3 Ų81.358%0.57642%0.418SS*.Hα-helixtrans-62.2-42.6177.1172.70000111.6S359 R360 R361 W365 L366S359-V363 WeakPolarHBondContact O-CG2 3.14Å; S359-V363 PolarHBondContact O-N 2.82Å; R360-V363 PolarHBondContact O-N 2.84Å; R361-V363 VanDerWaalsContact C-N 3.35Å; V363-W365 PolarHBondContact O-N 3.44Å; V363-L366 WeakPolarHBondContact O-CB 3.46Å; V363-L366 PolarHBondContact O-N 3.24Å
364A86.1Confident88.3Confident65 Ų6587.1 Ų87.154%0.53744%0.437SS..Hα-helixtrans-65.3-28.8176.600000112.9R360 R361 L362 P367R360-A364 WeakPolarHBondContact O-CB 3.49Å; R360-A364 PolarHBondContact O-N 3.02Å; R361-A364 PolarHBondContact O-N 3.42Å; L362-A364 PolarHBondContact O-N 3.14Å; A364-P367 WeakPolarHBondContact O-CD 3.23Å
365W84.8Confident88.4Confident77 Ų7784.6 Ų84.629%0.29243%0.426SS..Hα-helixtrans-82.8-21.4178.4179.952.1000113.7I157 R361 L362 V363 P367 D368 V369 D372I157-W365 HydrophobicContact CD1-CZ2 3.64Å; R361-W365 WeakPolarHBondContact O-CB 3.15Å; R361-W365 PolarHBondContact O-N 3.01Å; L362-W365 HydrophobicContact CD2-CE3 4.24Å; L362-W365 PolarHBondContact O-N 3.49Å; L362-W365 VanDerWaalsContact O-N 3.17Å; V363-W365 PolarHBondContact O-N 3.44Å; W365-P367 VanDerWaalsContact C-N 3.3Å; W365-P367 VanDerWaalsContact O-N 3.1Å; W365-D368 PolarHBondContact O-N 3.22Å; W365-V369 HydrophobicContact CD2-CG2 3.59Å; W365-V369 HydrophobicContact CE3-CG2 3.54Å; W365-V369 HydrophobicContact CG-CG2 4.25Å; W365-V369 HydrophobicContact CH2-CG1 4.37Å; W365-V369 HydrophobicContact CH2-CG2 3.9Å; W365-V369 HydrophobicContact CZ2-CB 4.42Å; W365-V369 HydrophobicContact CZ2-CG2 3.93Å; W365-V369 HydrophobicContact CZ3-CG2 3.71Å; W365-V369 WeakPolarHBondContact O-CG2 3.5Å; W365-V369 PolarHBondContact O-N 3.04Å; W365-D372 HydrophobicContact CZ2-CB 4.14Å; W365-D372 PolarHBondContact NE1-OD2 3.13Å
366L87.1Confident88.2Confident112 Ų11283 Ų8359%0.58641%0.414SS*.G310 helixtrans-45.5-42.9-177.5-77.7172.1000115.1L362 V363 D368 V369L362-L366 WeakPolarHBondContact O-CG 3.31Å; L362-L366 PolarHBondContact O-N 3.41Å; V363-L366 WeakPolarHBondContact O-CB 3.46Å; V363-L366 PolarHBondContact O-N 3.24Å; L366-D368 VanDerWaalsContact C-N 3.29Å; L366-D368 PolarHBondContact O-N 3.33Å; L366-V369 PolarHBondContact O-N 2.95Å
367P87.9Confident88.1Confident100 Ų10080.7 Ų80.765%0.64941%0.407SS*.G310 helixtrans-62.7-33.7178.9-22.535.3000113.7A364 W365A364-P367 WeakPolarHBondContact O-CD 3.23Å; W365-P367 VanDerWaalsContact C-N 3.3Å; W365-P367 VanDerWaalsContact O-N 3.1Å
368D87Confident88Confident89 Ų8980.7 Ų80.748%0.47642%0.418SS..G310 helixtrans-94.4-4.9-174.6-56.5-43.9000112.7W365 L366 T371 D372W365-D368 PolarHBondContact O-N 3.22Å; L366-D368 VanDerWaalsContact C-N 3.29Å; L366-D368 PolarHBondContact O-N 3.33Å; D368-T371 PolarHBondContact O-N 3.17Å; D368-T371 PolarHBondContact O-OG1 3.03Å; D368-D372 WeakPolarHBondContact O-CB 3.46Å; D368-D372 VanDerWaalsContact O-CG 3.3Å; D368-D372 PolarHBondContact O-N 3.27Å
369V88.4Confident88Confident30 Ų3076.8 Ų76.818%0.18241%0.406CS..Hα-helixtrans-53-48.8-178.7169.70000112.8W365 L366 D372 L373W365-V369 HydrophobicContact CD2-CG2 3.59Å; W365-V369 HydrophobicContact CE3-CG2 3.54Å; W365-V369 HydrophobicContact CG-CG2 4.25Å; W365-V369 HydrophobicContact CH2-CG1 4.37Å; W365-V369 HydrophobicContact CH2-CG2 3.9Å; W365-V369 HydrophobicContact CZ2-CB 4.42Å; W365-V369 HydrophobicContact CZ2-CG2 3.93Å; W365-V369 HydrophobicContact CZ3-CG2 3.71Å; W365-V369 WeakPolarHBondContact O-CG2 3.5Å; W365-V369 PolarHBondContact O-N 3.04Å; L366-V369 PolarHBondContact O-N 2.95Å; V369-D372 PolarHBondContact O-N 2.96Å; V369-L373 HydrophobicContact CG1-CD1 3.51Å; V369-L373 HydrophobicContact CG1-CG 4.02Å; V369-L373 WeakPolarHBondContact O-CB 3.4Å; V369-L373 VanDerWaalsContact O-CG 3.25Å; V369-L373 WeakPolarHBondContact O-CG 3.45Å; V369-L373 PolarHBondContact O-N 3.41Å
370P88.1Confident88Confident74 Ų7480.9 Ų80.948%0.48142%0.423SS..Hα-helixtrans-60.7-52.6-176.8-21.733.9000111D372 L373 W374P370-D372 VanDerWaalsContact C-N 3.31Å; P370-D372 PolarHBondContact O-N 3.04Å; P370-L373 PolarHBondContact O-N 2.89Å; P370-W374 PolarHBondContact O-N 2.87Å
371T88.1Confident88.1Confident74 Ų7483.3 Ų83.345%0.45443%0.432SS..Hα-helixtrans-58.4-43.1-179.1400000111.9D368 W374 W375D368-T371 PolarHBondContact O-N 3.17Å; D368-T371 PolarHBondContact O-OG1 3.03Å; T371-W374 PolarHBondContact O-N 2.87Å; T371-W375 WeakPolarHBondContact O-CB 3.29Å; T371-W375 PolarHBondContact O-N 2.87Å
372D89.5Confident88.1Confident8 Ų882.7 Ų82.74%0.04344%0.439CS..Hα-helixtrans-70-40.1-179.5-72.3-4.8000112.5I157 R165 W365 D368 V369 P370 W375 M376I157-D372 HydrophobicContact CD1-CB 4.23Å; I157-D372 HydrophobicContact CG2-CB 4.41Å; R165-D372 IonicContact CZ-OD1 3.34Å; R165-D372 IonicContact NH1-OD1 2.75Å; R165-D372 PolarHBondContact NH1-OD1 2.68Å; R165-D372 IonicContact NH2-OD1 3.23Å; R165-D372 PolarHBondContact NH2-OD1 3.26Å; W365-D372 HydrophobicContact CZ2-CB 4.14Å; W365-D372 PolarHBondContact NE1-OD2 3.13Å; D368-D372 WeakPolarHBondContact O-CB 3.46Å; D368-D372 VanDerWaalsContact O-CG 3.3Å; D368-D372 PolarHBondContact O-N 3.27Å; V369-D372 PolarHBondContact O-N 2.96Å; P370-D372 VanDerWaalsContact C-N 3.31Å; P370-D372 PolarHBondContact O-N 3.04Å; D372-W375 PolarHBondContact O-N 3.42Å; D372-M376 WeakPolarHBondContact O-CB 3.45Å; D372-M376 WeakPolarHBondContact O-CG 3.5Å; D372-M376 PolarHBondContact O-N 3.49Å
373L89.4Confident88.1Confident90 Ų9081.9 Ų81.947%0.47144%0.438SS..Hα-helixtrans-64.3-43.1175.6-74.4176.7000111.6V369 P370 M376 Q377V369-L373 HydrophobicContact CG1-CD1 3.51Å; V369-L373 HydrophobicContact CG1-CG 4.02Å; V369-L373 WeakPolarHBondContact O-CB 3.4Å; V369-L373 VanDerWaalsContact O-CG 3.25Å; V369-L373 WeakPolarHBondContact O-CG 3.45Å; V369-L373 PolarHBondContact O-N 3.41Å; P370-L373 PolarHBondContact O-N 2.89Å; L373-M376 HydrophobicContact CD2-CE 3.73Å; L373-M376 HydrophobicContact CG-CE 4.42Å; L373-M376 PolarHBondContact O-N 3.48Å; L373-Q377 WeakPolarHBondContact O-CB 3.48Å; L373-Q377 PolarHBondContact O-N 2.89Å
374W88Confident88.2Confident185 Ų18580.1 Ų80.170%0.70143%0.434SS*.Hα-helixtrans-60.3-46.2175.2-84.2105.7000111.3P370 T371 Q377 G378P370-W374 PolarHBondContact O-N 2.87Å; T371-W374 PolarHBondContact O-N 2.87Å; W374-Q377 PolarHBondContact O-N 3.42Å; W374-G378 PolarHBondContact O-N 3.29Å
375W89.8Confident88.4Confident64 Ų6482.7 Ų82.724%0.24244%0.438CS..Hα-helixtrans-61.3-47.5176172.179.5000112.1W123 R165 T371 D372 Q377 G378 L379W123-W375 AromaticContact CD1-CH2 3.75Å; W123-W375 AromaticContact CD1-CZ2 3.52Å; W123-W375 AromaticContact NE1-CH2 3.65Å; W123-W375 AromaticContact NE1-CZ2 3.8Å; R165-W375 HydrophobicContact CB-CZ2 4.48Å; R165-W375 HydrophobicContact CG-CD2 4.26Å; R165-W375 HydrophobicContact CG-CG 4.46Å; R165-W375 HydrophobicContact CG-CZ2 4.3Å; T371-W375 WeakPolarHBondContact O-CB 3.29Å; T371-W375 PolarHBondContact O-N 2.87Å; D372-W375 PolarHBondContact O-N 3.42Å; W375-Q377 VanDerWaalsContact C-N 3.32Å; W375-Q377 PolarHBondContact O-N 2.94Å; W375-G378 WeakPolarHBondContact O-CA 3.44Å; W375-G378 PolarHBondContact O-N 2.78Å; W375-G378 VanDerWaalsContact O-N 3.12Å; W375-L379 HydrophobicContact CH2-CD2 3.77Å; W375-L379 HydrophobicContact CZ2-CD2 3.9Å; W375-L379 HydrophobicContact CZ3-CD2 4.48Å; W375-L379 PolarHBondContact O-N 2.81Å
376M89.1Confident88.6Confident66 Ų6683.2 Ų83.233%0.32544%0.444SS..Hα-helixtrans-61.5-39.1177.8-76.1-171.7-70.100112.3I157 D372 L373 G378 L379 L380I157-M376 HydrophobicContact CD1-CE 4.37Å; D372-M376 WeakPolarHBondContact O-CB 3.45Å; D372-M376 WeakPolarHBondContact O-CG 3.5Å; D372-M376 PolarHBondContact O-N 3.49Å; L373-M376 HydrophobicContact CD2-CE 3.73Å; L373-M376 HydrophobicContact CG-CE 4.42Å; L373-M376 PolarHBondContact O-N 3.48Å; M376-G378 VanDerWaalsContact C-N 3.34Å; M376-L379 PolarHBondContact O-N 3.48Å; M376-L380 WeakPolarHBondContact O-CB 3.33Å; M376-L380 PolarHBondContact O-N 2.85Å
377Q88.9Confident88.6Confident84 Ų8481.9 Ų81.939%0.39344%0.44SS..Hα-helixtrans-63.4-42174.5-172.2-17725.900111.4L373 W374 W375 L380 R381L373-Q377 WeakPolarHBondContact O-CB 3.48Å; L373-Q377 PolarHBondContact O-N 2.89Å; W374-Q377 PolarHBondContact O-N 3.42Å; W375-Q377 VanDerWaalsContact C-N 3.32Å; W375-Q377 PolarHBondContact O-N 2.94Å; Q377-L380 PolarHBondContact O-N 2.67Å; Q377-R381 WeakPolarHBondContact O-CB 3.47Å; Q377-R381 WeakPolarHBondContact O-CG 3.48Å; Q377-R381 PolarHBondContact O-N 3.45Å
378G88Confident88.8Confident38 Ų3883.6 Ų83.639%0.39244%0.437SS..Hα-helixtrans-59.3-46.7173.600000112.1W374 W375 M376 R381 S382W374-G378 PolarHBondContact O-N 3.29Å; W375-G378 WeakPolarHBondContact O-CA 3.44Å; W375-G378 PolarHBondContact O-N 2.78Å; W375-G378 VanDerWaalsContact O-N 3.12Å; M376-G378 VanDerWaalsContact C-N 3.34Å; G378-R381 PolarHBondContact O-N 2.78Å; G378-S382 PolarHBondContact O-N 3Å
379L87.6Confident88.8Confident40 Ų4081.8 Ų81.821%0.20943%0.432CS..Hα-helixtrans-59.9-49.1176.9-175.667.3000111.3P124 W375 M376 R381 S382 V383P124-L379 HydrophobicContact CB-CD1 3.93Å; P124-L379 HydrophobicContact CG-CD1 3.56Å; W375-L379 HydrophobicContact CH2-CD2 3.77Å; W375-L379 HydrophobicContact CZ2-CD2 3.9Å; W375-L379 HydrophobicContact CZ3-CD2 4.48Å; W375-L379 PolarHBondContact O-N 2.81Å; M376-L379 PolarHBondContact O-N 3.48Å; L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.31Å; L379-S382 PolarHBondContact O-N 2.82Å; L379-S382 VanDerWaalsContact O-N 3.15Å; L379-S382 PolarHBondContact O-OG 2.78Å; L379-V383 WeakPolarHBondContact O-CG2 3.41Å; L379-V383 PolarHBondContact O-N 2.78Å
380L89.7Confident88.7Confident137 Ų13787.6 Ų87.672%0.71745%0.45SS*.Hα-helixtrans-60.1-41.3179.5-156.991.2000111.6M376 Q377 V383 A384M376-L380 WeakPolarHBondContact O-CB 3.33Å; M376-L380 PolarHBondContact O-N 2.85Å; Q377-L380 PolarHBondContact O-N 2.67Å; L380-V383 PolarHBondContact O-N 3.21Å; L380-A384 VanDerWaalsContact O-CB 3.3Å; L380-A384 WeakPolarHBondContact O-CB 3.32Å; L380-A384 PolarHBondContact O-N 2.96Å
381R89.8Confident88.7Confident151 Ų15187 Ų8757%0.5745%0.445SS*.Hα-helixtrans-62.1-46174.7-76.4176.4176.5175.81.2111.8Q377 G378 L379 V383 A384 L385Q377-R381 WeakPolarHBondContact O-CB 3.47Å; Q377-R381 WeakPolarHBondContact O-CG 3.48Å; Q377-R381 PolarHBondContact O-N 3.45Å; G378-R381 PolarHBondContact O-N 2.78Å; L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.31Å; R381-V383 PolarHBondContact O-N 3.33Å; R381-A384 PolarHBondContact O-N 3.01Å; R381-L385 WeakPolarHBondContact O-CB 3.39Å; R381-L385 VanDerWaalsContact O-CG 3.28Å; R381-L385 WeakPolarHBondContact O-CG 3.27Å; R381-L385 PolarHBondContact O-N 3.27Å
382S87.5Confident88.6Confident60 Ų6088.9 Ų88.942%0.4245%0.447SS..Hα-helixtrans-62.3-41.9178.665.50000112.5G378 L379 L385 E386G378-S382 PolarHBondContact O-N 3Å; L379-S382 PolarHBondContact O-N 2.82Å; L379-S382 VanDerWaalsContact O-N 3.15Å; L379-S382 PolarHBondContact O-OG 2.78Å; S382-L385 PolarHBondContact O-N 3.15Å; S382-E386 WeakPolarHBondContact O-CB 3.35Å; S382-E386 PolarHBondContact O-N 2.96Å
383V87.6Confident88.3Confident80 Ų8091.6 Ų91.649%0.48547%0.471SS..Hα-helixtrans-67-43.6177.91730000110.3L379 L380 R381 L385 E386 V387L379-V383 WeakPolarHBondContact O-CG2 3.41Å; L379-V383 PolarHBondContact O-N 2.78Å; L380-V383 PolarHBondContact O-N 3.21Å; R381-V383 PolarHBondContact O-N 3.33Å; V383-L385 VanDerWaalsContact C-N 3.32Å; V383-L385 PolarHBondContact O-N 3.14Å; V383-E386 PolarHBondContact O-N 3.38Å; V383-V387 HydrophobicContact CG1-CG2 4.35Å; V383-V387 VanDerWaalsContact O-CG2 3.31Å; V383-V387 WeakPolarHBondContact O-CG2 3.27Å; V383-V387 PolarHBondContact O-N 2.94Å
384A88.9Confident87.9Confident59 Ų5994.7 Ų94.749%0.48848%0.483SS..Hα-helixtrans-61.1-41.1176.500000112L380 R381 F388L380-A384 VanDerWaalsContact O-CB 3.3Å; L380-A384 WeakPolarHBondContact O-CB 3.32Å; L380-A384 PolarHBondContact O-N 2.96Å; R381-A384 PolarHBondContact O-N 3.01Å; A384-F388 WeakPolarHBondContact O-CB 3.38Å; A384-F388 PolarHBondContact O-N 3.31Å
385L90.3Very high87.3Confident118 Ų11892.7 Ų92.762%0.61849%0.485SS*.Hα-helixtrans-66-40.7176-73.5170.8000112.3R381 S382 V383 F388 S389R381-L385 WeakPolarHBondContact O-CB 3.39Å; R381-L385 VanDerWaalsContact O-CG 3.28Å; R381-L385 WeakPolarHBondContact O-CG 3.27Å; R381-L385 PolarHBondContact O-N 3.27Å; S382-L385 PolarHBondContact O-N 3.15Å; V383-L385 VanDerWaalsContact C-N 3.32Å; V383-L385 PolarHBondContact O-N 3.14Å; L385-F388 PolarHBondContact O-N 3.25Å; L385-S389 VanDerWaalsContact O-CB 3.31Å; L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 2.91Å; L385-S389 PolarHBondContact O-OG 3.09Å
386E88.9Confident86.6Confident89 Ų8994.9 Ų94.942%0.41650%0.501SS..Hα-helixtrans-67.7-41.4177-178.663.6-166.100112S382 V383 S389 R390S382-E386 WeakPolarHBondContact O-CB 3.35Å; S382-E386 PolarHBondContact O-N 2.96Å; V383-E386 PolarHBondContact O-N 3.38Å; E386-S389 WeakPolarHBondContact CA-OG 3.44Å; E386-S389 PolarHBondContact O-N 3.4Å; E386-S389 PolarHBondContact O-OG 3.21Å; E386-R390 WeakPolarHBondContact O-CB 3.47Å; E386-R390 VanDerWaalsContact O-CG 3.27Å; E386-R390 WeakPolarHBondContact O-CG 2.89Å; E386-R390 PolarHBondContact O-N 3Å; E386-R390 IonicContact OE1-CZ 3.54Å; E386-R390 VanDerWaalsContact OE1-CZ 3.23Å; E386-R390 IonicContact OE1-NE 2.59Å; E386-R390 PolarHBondContact OE1-NE 3.24Å; E386-R390 IonicContact OE1-NH2 3.33Å; E386-R390 PolarHBondContact OE1-NH2 3.08Å
387V89.1Confident85.3Confident83 Ų8393.3 Ų93.350%0.50350%0.502SS..Hα-helixtrans-63.5-48173.5172.70000109.4V383 S389 R390 T391V383-V387 HydrophobicContact CG1-CG2 4.35Å; V383-V387 VanDerWaalsContact O-CG2 3.31Å; V383-V387 WeakPolarHBondContact O-CG2 3.27Å; V383-V387 PolarHBondContact O-N 2.94Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 3.42Å; V387-R390 PolarHBondContact O-N 3.33Å; V387-T391 WeakPolarHBondContact O-CB 3.2Å; V387-T391 PolarHBondContact O-N 3.23Å; V387-T391 PolarHBondContact O-OG1 3.16Å
388F90.2Very high83.7Confident136 Ų13695.3 Ų95.360%0.59652%0.522SS*.Hα-helixtrans-60.1-42.1178.2-178-98.6000112.4A384 L385 K392A384-F388 WeakPolarHBondContact O-CB 3.38Å; A384-F388 PolarHBondContact O-N 3.31Å; L385-F388 PolarHBondContact O-N 3.25Å; F388-K392 HydrophobicContact CE1-CD 4.24Å; F388-K392 WeakPolarHBondContact O-CB 3.38Å; F388-K392 PolarHBondContact O-N 3.44Å
389S88Confident82Confident52 Ų52100.7 Ų100.736%0.36454%0.54SS..Hα-helixtrans-65.4-42.9178.371.60000111.5L385 E386 V387 K392 A393L385-S389 VanDerWaalsContact O-CB 3.31Å; L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 2.91Å; L385-S389 PolarHBondContact O-OG 3.09Å; E386-S389 WeakPolarHBondContact CA-OG 3.44Å; E386-S389 PolarHBondContact O-N 3.4Å; E386-S389 PolarHBondContact O-OG 3.21Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 3.42Å; S389-K392 PolarHBondContact O-N 2.91Å; S389-A393 WeakPolarHBondContact O-CB 3.39Å; S389-A393 PolarHBondContact O-N 3.14Å
390R86.1Confident80.2Confident151 Ų151103.5 Ų103.557%0.5756%0.563SS**Hα-helixtrans-64.9-46.2175.2-73.1179.8-172.8-1643.3112.2E386 V387 K392 A393 Q394E386-R390 WeakPolarHBondContact O-CB 3.47Å; E386-R390 VanDerWaalsContact O-CG 3.27Å; E386-R390 WeakPolarHBondContact O-CG 2.89Å; E386-R390 PolarHBondContact O-N 3Å; E386-R390 IonicContact OE1-CZ 3.54Å; E386-R390 VanDerWaalsContact OE1-CZ 3.23Å; E386-R390 IonicContact OE1-NE 2.59Å; E386-R390 PolarHBondContact OE1-NE 3.24Å; E386-R390 IonicContact OE1-NH2 3.33Å; E386-R390 PolarHBondContact OE1-NH2 3.08Å; V387-R390 PolarHBondContact O-N 3.33Å; R390-K392 VanDerWaalsContact C-N 3.32Å; R390-K392 PolarHBondContact O-N 3.26Å; R390-A393 PolarHBondContact O-N 2.91Å; R390-Q394 WeakPolarHBondContact O-CB 3.35Å; R390-Q394 VanDerWaalsContact O-CG 3.3Å; R390-Q394 WeakPolarHBondContact O-CG 3.44Å; R390-Q394 PolarHBondContact O-N 3.03Å
391T87.7Confident78.1Confident61 Ų61101.9 Ų101.937%0.37456%0.561SS.*Hα-helixtrans-63.5-41.2177-52.40000110.6V387 Q394 L395V387-T391 WeakPolarHBondContact O-CB 3.2Å; V387-T391 PolarHBondContact O-N 3.23Å; V387-T391 PolarHBondContact O-OG1 3.16Å; T391-Q394 PolarHBondContact O-N 3.12Å; T391-L395 HydrophobicContact CG2-CD1 3.89Å; T391-L395 HydrophobicContact CG2-CG 4.46Å; T391-L395 WeakPolarHBondContact O-CB 3.28Å; T391-L395 VanDerWaalsContact O-CG 3.27Å; T391-L395 WeakPolarHBondContact O-CG 3.38Å; T391-L395 PolarHBondContact O-N 3.3Å
392K86.4Confident75.7Confident114 Ų114100.2 Ų100.250%0.49657%0.57SS.*Hα-helixtrans-62.5-43.6174.1-179.7176.8178.6-175.50111.8F388 S389 R390 Q394 L395 L396F388-K392 HydrophobicContact CE1-CD 4.24Å; F388-K392 WeakPolarHBondContact O-CB 3.38Å; F388-K392 PolarHBondContact O-N 3.44Å; S389-K392 PolarHBondContact O-N 2.91Å; R390-K392 VanDerWaalsContact C-N 3.32Å; R390-K392 PolarHBondContact O-N 3.26Å; K392-Q394 VanDerWaalsContact C-N 3.34Å; K392-L395 PolarHBondContact O-N 2.84Å; K392-L396 HydrophobicContact CD-CD1 4.25Å; K392-L396 HydrophobicContact CG-CD1 3.59Å; K392-L396 HydrophobicContact CG-CG 4.34Å; K392-L396 VanDerWaalsContact O-CB 3.25Å; K392-L396 WeakPolarHBondContact O-CB 2.84Å; K392-L396 VanDerWaalsContact O-CG 3.3Å; K392-L396 WeakPolarHBondContact O-CG 3.36Å; K392-L396 PolarHBondContact O-N 3.25Å
393A83.4Confident73.4Confident66 Ų66105.2 Ų105.255%0.54559%0.592SS.*Hα-helixtrans-66.2-35177.400000112.7S389 R390 L396 G397S389-A393 WeakPolarHBondContact O-CB 3.39Å; S389-A393 PolarHBondContact O-N 3.14Å; R390-A393 PolarHBondContact O-N 2.91Å; A393-L396 CarbonylContact O-C 3.29Å; A393-G397 PolarHBondContact O-N 3.44Å
394Q81Confident71Confident154 Ų154107.6 Ų107.672%0.7261%0.607SS**Hα-helixtrans-71.7-38.2174.3-73.3173.7-6.300112.5R390 T391 K392R390-Q394 WeakPolarHBondContact O-CB 3.35Å; R390-Q394 VanDerWaalsContact O-CG 3.3Å; R390-Q394 WeakPolarHBondContact O-CG 3.44Å; R390-Q394 PolarHBondContact O-N 3.03Å; T391-Q394 PolarHBondContact O-N 3.12Å; K392-Q394 VanDerWaalsContact C-N 3.34Å
395L75.3Confident68.5Low143 Ų143108.3 Ų108.375%0.74962%0.62SS**Hα-helixtrans-72-32.5176-75.6166.2000112.5T391 K392 G397T391-L395 HydrophobicContact CG2-CD1 3.89Å; T391-L395 HydrophobicContact CG2-CG 4.46Å; T391-L395 WeakPolarHBondContact O-CB 3.28Å; T391-L395 VanDerWaalsContact O-CG 3.27Å; T391-L395 WeakPolarHBondContact O-CG 3.38Å; T391-L395 PolarHBondContact O-N 3.3Å; K392-L395 PolarHBondContact O-N 2.84Å; L395-G397 VanDerWaalsContact C-N 3.32Å; L395-G397 PolarHBondContact O-N 3.3Å
396L75.4Confident65.7Low111 Ų111108.8 Ų108.858%0.58163%0.627SS**THydrogen-bonded Turntrans-95.335.3176.3-63.6171.8000111.9K392 A393K392-L396 HydrophobicContact CD-CD1 4.25Å; K392-L396 HydrophobicContact CG-CD1 3.59Å; K392-L396 HydrophobicContact CG-CG 4.34Å; K392-L396 VanDerWaalsContact O-CB 3.25Å; K392-L396 WeakPolarHBondContact O-CB 2.84Å; K392-L396 VanDerWaalsContact O-CG 3.3Å; K392-L396 WeakPolarHBondContact O-CG 3.36Å; K392-L396 PolarHBondContact O-N 3.25Å; A393-L396 CarbonylContact O-C 3.29Å
397G62.2Low63.1Low32 Ų32112.5 Ų112.533%0.3365%0.649SS.*  trans-43.7157.1-178.100000114A393 L395 I399A393-G397 PolarHBondContact O-N 3.44Å; L395-G397 VanDerWaalsContact C-N 3.32Å; L395-G397 PolarHBondContact O-N 3.3Å; G397-I399 PolarHBondContact O-N 3.24Å
398P55.6Low60.3Low127 Ų127117 Ų11783%0.82567%0.665SS**  trans-55.9109-162.625-32.9000110S400P398-S400 PolarHBondContact O-N 2.93Å
399I51Low57.4Low151 Ų151116.6 Ų116.677%0.77467%0.673SS**  trans-7190.7169.7-59.9170.5000105G397G397-I399 PolarHBondContact O-N 3.24Å
400S50.7Low54.6Low98 Ų98121.4 Ų121.469%0.68570%0.695SS**PPolyproline II helixtrans-60.5123.5159.4-64.50000106.7P398P398-S400 PolarHBondContact O-N 2.93Å
401P44.9Very low52.5Low104 Ų104119.4 Ų119.468%0.67570%0.701SS**PPolyproline II helixtrans-61.9144.1171.526.9-31.1000108.3D403P401-D403 PolarHBondContact O-N 2.87Å
402P38.7Very low49.7Very low115 Ų115124.2 Ų124.275%0.74772%0.724SS**PPolyproline II helixtrans-64.4127.1176.425.8-30.5000109T404P402-T404 VanDerWaalsContact C-N 3.34Å; P402-T404 PolarHBondContact O-N 3Å
403D40.8Very low47.1Very low166 Ų166126.4 Ų126.489%0.88874%0.736SS**  trans-5798164-81.1-38.8000108.3P401 G405P401-D403 PolarHBondContact O-N 2.87Å; D403-G405 VanDerWaalsContact C-N 3.31Å; D403-G405 PolarHBondContact O-N 3.16Å
404T35.7Very low44.7Very low130 Ų130129.3 Ų129.380%0.79875%0.75SS**  trans-70.296.5160.141.30000107.2P402 V406P402-T404 VanDerWaalsContact C-N 3.34Å; P402-T404 PolarHBondContact O-N 3Å; T404-V406 PolarHBondContact O-N 2.89Å
405G37.9Very low42.4Very low74 Ų74129.7 Ų129.776%0.76375%0.751SS**  trans-57.3123.7167.600000110.5D403D403-G405 VanDerWaalsContact C-N 3.31Å; D403-G405 PolarHBondContact O-N 3.16Å
406V31.3Very low40.2Very low128 Ų128131.2 Ų131.278%0.77676%0.758SS**  trans-124.2109.2154177.60000106.4T404T404-V406 PolarHBondContact O-N 2.89Å
407L33.5Very low38.1Very low166 Ų166130.1 Ų130.187%0.86977%0.765SS**  trans-82105.1169.4-177.594.7000107.2
408E29.9Very low37.5Very low178 Ų178134.4 Ų134.483%0.83279%0.787SS**  trans-135115156.9-89.2-170.3167.900111.7
409T30.7Very low36.1Very low127 Ų127137.9 Ų137.978%0.77979%0.785SS**  trans-24.8129.6166.145.10000118.7
410N27.8Very low35.2Very low154 Ų154138.9 Ų138.982%0.82479%0.789SS**  trans-59.5156.3145-103-34.1000110
411P42.9Very low34.2Very low108 Ų108141.6 Ų141.670%0.70179%0.79SS**  cis-150.7160.948.637.8-16.9000116.8
412L28.4Very low33.5Very low162 Ų162144.7 Ų144.785%0.84880%0.796SS**  160.3115.6127.1-86.2152.2000110.8
413Q31.1Very low33Very low161 Ų161147.8 Ų147.875%0.75281%0.805SS**  trans-66.5156.5161.2-130.9170.1-9.700109.4
414P32.9Very low32.7Very low127 Ų127150.5 Ų150.583%0.82580%0.803SS**  -141.9160.684.530-10.2000115.7
415Q34.7Very low33.1Very low162 Ų162150 Ų15076%0.75780%0.802SS**  trans-47.8147.8175-61.1167.7-9.900114.1
416I28.3Very low32.9Very low175 Ų175153.6 Ų153.690%0.89781%0.809SS**  trans-163.9130.9133-83.9135.5000107.7
417A31.4Very low33.1Very low87 Ų87156.2 Ų156.272%0.71981%0.813SS**  trans-128.2171.3155.100000106.3
418P50.1Low33.3Very low122 Ų122157.4 Ų157.479%0.79281%0.814SS**  cis-130.1172.3-1535.6-18.1000112.5
419Y26Very low33.7Very low201 Ų201157.3 Ų157.379%0.78884%0.844SS**  trans-153.4131.9151-150.2-105.2000112.5E421Y419-E421 HydrophobicContact CE1-CG 4.45Å
420M32.4Very low33.9Very low172 Ų172158.9 Ų158.985%0.84785%0.847SS**  trans-94.7140.8169.6-80.6-137.2-58.600109.8
421E28.6Very low34.2Very low154 Ų154159.1 Ų159.172%0.7285%0.848SS**  trans-165.7104.6147.2-115.8171.4164.800107.6Y419Y419-E421 HydrophobicContact CE1-CG 4.45Å
422E29.6Very low33.7Very low170 Ų170161.9 Ų161.979%0.79486%0.856SS**  55.9120.2103.4-88.7-162.4155.800115.7
423L29.7Very low34.1Very low180 Ų180161.9 Ų161.994%0.94286%0.857SS**  -164.4127121-114.1127.8000112.6
424R33.8Very low34.2Very low223 Ų223162 Ų16284%0.84286%0.863SS**PPolyproline II helixtrans-65.6163.6173.9-92.4-176.9-167.7159.85.9113.5
425P43.4Very low34.3Very low120 Ų120164.3 Ų164.378%0.77987%0.866SS**PPolyproline II helixtrans-86.5142.3168.635-29.9000112.2
426T35.1Very low34.3Very low148 Ų148164.5 Ų164.591%0.90887%0.874SS**PPolyproline II helixtrans-91.7132.5168.921.50000111.1
427H35.3Very low34.8Very low183 Ų183163.7 Ų163.785%0.84787%0.872SS**PPolyproline II helixtrans-85167.4171.1-108.9-82.2000111.9
428Q36.6Very low35Very low191 Ų191170.1 Ų170.189%0.89389%0.885SS**  trans105.8131.3162-61.6-177.4-18.200114.1
429A40.1Very low33.7Very low177 Ų177174.5 Ų174.5100%1.46389%0.893SS**  cis-129.3025.700000114.1

Retrieved 429 of 429 residues in 272.5 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).