A0A3Q0KNT1_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 656 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
1M66.7Low65.1Low25 Ų2524.4 Ų24.412%0.12312%0.118CC..  0152.80-70.4-170.9-176.900109.7F3 V22 Q23 T25 L62 C91 M93 L128 F130M1-F3 HydrophobicContact CB-CE2 4.19Å; M1-V22 HydrophobicContact SD-CG1 4.44Å; M1-Q23 CarbonylContact C-O 3.58Å; M1-Q23 WeakPolarHBondContact CA-O 3.42Å; M1-T25 PolarHBondContact N-OG1 3.11Å; M1-T25 VanDerWaalsContact N-OG1 3.14Å; M1-L62 HydrophobicContact SD-CD2 4.29Å; M1-C91 PolarHBondContact N-O 3.11Å; M1-C91 PolarHBondContact O-N 3.05Å; M1-M93 HydrophobicContact CE-SD 4.38Å; M1-L128 HydrophobicContact CE-CD1 4.43Å; M1-L128 HydrophobicContact SD-CD1 4.13Å; M1-F130 HydrophobicContact CE-CE2 4.02Å; M1-F130 HydrophobicContact CE-CZ 3.59Å
2R68.4Low64.3Low85 Ų8537.4 Ų37.432%0.32118%0.179SC..EExtended strand (participates in β ladder)trans-127.5121.5174.5-66.7177.4-177.8161.71.5109V22 Q23 T25 W35 T88 I89 K90R2-V22 CarbonylContact O-C 3.56Å; R2-V22 WeakPolarHBondContact O-CA 3.34Å; R2-Q23 HydrophobicContact CB-CB 4.32Å; R2-Q23 PolarHBondContact N-O 2.94Å; R2-Q23 PolarHBondContact O-N 3.22Å; R2-T25 HydrophobicContact CG-CG2 3.69Å; R2-W35 HydrophobicContact CB-CH2 4.48Å; R2-T88 HydrophobicContact CB-CG2 3.99Å; R2-T88 HydrophobicContact CG-CG2 4.46Å; R2-I89 CarbonylContact C-O 3.5Å; R2-I89 WeakPolarHBondContact CA-O 3.29Å; R2-K90 HydrophobicContact CG-CG 4.21Å
3F69.7Low63.7Low1 Ų141.5 Ų41.50%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-96.2127.7172-68.9-103.6000107.3M1 I20 C21 V22 L62 T88 I89 C91 L126M1-F3 HydrophobicContact CB-CE2 4.19Å; F3-I20 HydrophobicContact CD1-CG2 4.39Å; F3-C21 CarbonylContact C-O 3.46Å; F3-C21 WeakPolarHBondContact CA-O 3.33Å; F3-V22 HydrophobicContact CD1-CG2 3.2Å; F3-V22 HydrophobicContact CD2-CG2 4.49Å; F3-V22 HydrophobicContact CE1-CB 4.43Å; F3-V22 HydrophobicContact CE1-CG1 4.41Å; F3-V22 HydrophobicContact CE1-CG2 3.16Å; F3-V22 HydrophobicContact CE2-CG2 4.48Å; F3-V22 HydrophobicContact CG-CG2 3.89Å; F3-V22 HydrophobicContact CZ-CG1 4.28Å; F3-V22 HydrophobicContact CZ-CG2 3.84Å; F3-L62 HydrophobicContact CE2-CD1 3.78Å; F3-L62 HydrophobicContact CZ-CD1 3.52Å; F3-T88 CarbonylContact O-C 3.55Å; F3-T88 VanDerWaalsContact O-CA 3.31Å; F3-T88 WeakPolarHBondContact O-CA 3.45Å; F3-I89 HydrophobicContact CB-CB 4.43Å; F3-I89 PolarHBondContact N-O 3.07Å; F3-I89 PolarHBondContact O-N 2.96Å; F3-C91 HydrophobicContact CD2-CB 4.06Å; F3-C91 VanDerWaalsContact CD2-SG 3.58Å; F3-C91 HydrophobicContact CE2-CB 4.01Å; F3-L126 HydrophobicContact CD1-CD1 4.35Å; F3-L126 HydrophobicContact CD1-CD2 4.31Å; F3-L126 HydrophobicContact CE1-CD1 3.72Å; F3-L126 HydrophobicContact CE1-CD2 3.91Å; F3-L126 HydrophobicContact CE1-CG 4.39Å; F3-L126 HydrophobicContact CZ-CD1 4.27Å
4T68.2Low63.6Low2 Ų246.5 Ų46.51%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-114.7122.4169.6-58.10000108.3Y6 C21 W35 A86 K87 T88T4-Y6 HydrophobicContact CG2-CD1 4.48Å; T4-Y6 HydrophobicContact CG2-CD2 4.07Å; T4-Y6 HydrophobicContact CG2-CE1 3.94Å; T4-Y6 HydrophobicContact CG2-CE2 3.49Å; T4-Y6 VanDerWaalsContact CG2-CE2 3.49Å; T4-Y6 VanDerWaalsContact CG2-CZ 3.41Å; T4-C21 PolarHBondContact N-O 3.22Å; T4-C21 PolarHBondContact O-N 3.24Å; T4-W35 WeakPolarHBondContact OG1-CH2 3.43Å; T4-W35 WeakPolarHBondContact OG1-CZ3 3.43Å; T4-A86 HydrophobicContact CG2-CB 4.15Å; T4-K87 WeakPolarHBondContact CA-O 3.49Å; T4-T88 WeakPolarHBondContact OG1-CG2 3.12Å; T4-T88 PolarHBondContact OG1-OG1 3.21Å
5V67Low63.7Low0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-97.3123.7174.7-176.20000107.5L18 I20 V55 I76 A86 K87 L107V5-L18 HydrophobicContact CG1-CD1 3.51Å; V5-L18 HydrophobicContact CG1-CG 4.36Å; V5-I20 HydrophobicContact CG1-CG1 4.43Å; V5-I20 HydrophobicContact CG2-CG1 4.33Å; V5-V55 HydrophobicContact CG1-CG2 4.41Å; V5-V55 HydrophobicContact CG2-CG1 4.13Å; V5-V55 HydrophobicContact CG2-CG2 4.45Å; V5-I76 HydrophobicContact CB-CD1 4.06Å; V5-I76 HydrophobicContact CG1-CD1 4.01Å; V5-A86 CarbonylContact O-C 3.23Å; V5-A86 WeakPolarHBondContact O-CA 3.39Å; V5-K87 PolarHBondContact N-O 2.85Å; V5-K87 PolarHBondContact O-N 3.48Å; V5-L107 HydrophobicContact CG2-CD1 4.15Å; V5-L107 HydrophobicContact CG2-CD2 4.18Å
6Y69.5Low63.7Low26 Ų2644.1 Ų44.110%0.10222%0.219CC..EExtended strand (participates in β ladder)trans-107.3129.5174.7-61.7-88.7000108.3T4 L18 C19 C21 V85 A86T4-Y6 HydrophobicContact CG2-CD1 4.48Å; T4-Y6 HydrophobicContact CG2-CD2 4.07Å; T4-Y6 HydrophobicContact CG2-CE1 3.94Å; T4-Y6 HydrophobicContact CG2-CE2 3.49Å; T4-Y6 VanDerWaalsContact CG2-CE2 3.49Å; T4-Y6 VanDerWaalsContact CG2-CZ 3.41Å; Y6-L18 CarbonylContact O-C 3.57Å; Y6-L18 WeakPolarHBondContact O-CA 3.48Å; Y6-C19 PolarHBondContact N-O 3.28Å; Y6-C19 PolarHBondContact O-N 3.49Å; Y6-C21 HydrophobicContact CE2-CB 4.08Å; Y6-V85 WeakPolarHBondContact CA-O 3.32Å; Y6-A86 HydrophobicContact CD1-CB 3.45Å; Y6-A86 VanDerWaalsContact CD1-CB 3.45Å; Y6-A86 HydrophobicContact CE1-CB 3.46Å; Y6-A86 VanDerWaalsContact CE1-CB 3.46Å; Y6-A86 HydrophobicContact CG-CB 4.39Å
7L67.5Low63.8Low2 Ų246.1 Ų46.11%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-121.2133.6176-178.571.1000108.7C16 F17 L18 F43 M53 I76 V78 S84 V85L7-C16 HydrophobicContact CD1-CB 4.47Å; L7-F17 WeakPolarHBondContact CA-O 3.22Å; L7-L18 HydrophobicContact CD1-CD1 4.09Å; L7-F43 HydrophobicContact CD1-CE1 4.14Å; L7-F43 HydrophobicContact CD1-CZ 3.89Å; L7-M53 HydrophobicContact CD2-CE 4.08Å; L7-M53 HydrophobicContact CD2-SD 3.74Å; L7-I76 HydrophobicContact CD2-CG2 4.36Å; L7-V78 HydrophobicContact CD2-CG2 4.16Å; L7-S84 WeakPolarHBondContact O-CA 3.47Å; L7-V85 PolarHBondContact N-O 3.12Å; L7-V85 PolarHBondContact O-N 3.38Å
8R66.3Low64.1Low47 Ų4743.8 Ų43.818%0.17722%0.215CC..EExtended strand (participates in β ladder)trans-133.8141.6174.7177.2176.4178-171.8-6.5110.4F17 L152 H157R8-F17 HydrophobicContact CB-CB 4.37Å; R8-F17 PolarHBondContact N-O 3.35Å; R8-F17 PolarHBondContact O-N 3Å; R8-L152 HydrophobicContact CB-CD2 3.85Å; R8-L152 HydrophobicContact CG-CD2 4.41Å; R8-H157 PolarHBondContact NH2-CE1 3.13Å; R8-H157 VanDerWaalsContact NH2-CE1 3.25Å
9L63.1Low64.2Low1 Ų142.9 Ų42.91%0.00521%0.213CC..  trans-112.3108168.3-82.9161.1000108.3C16 R45 V78 P79 D82L9-C16 HydrophobicContact CD2-CB 4.34Å; L9-C16 WeakPolarHBondContact CD2-SG 3.2Å; L9-R45 HydrophobicContact CD2-CG 3.91Å; L9-V78 HydrophobicContact CD1-CG1 3.24Å; L9-V78 HydrophobicContact CG-CG1 4.38Å; L9-P79 HydrophobicContact CD1-CG 4.46Å; L9-P79 WeakPolarHBondContact CD1-O 3.43Å; L9-D82 WeakPolarHBondContact O-CA 3.36Å; L9-D82 PolarHBondContact O-N 2.86Å
10P57.4Low64.4Low16 Ų1640.8 Ų40.810%0.10420%0.203CC..  trans-67.8148.7167.330.9-30.2000109.7D13 I15 F17P10-D13 HydrophobicContact CG-CB 4.45Å; P10-I15 WeakPolarHBondContact CD-O 3.34Å; P10-I15 WeakPolarHBondContact CG-O 3.18Å; P10-F17 HydrophobicContact CG-CD2 3.86Å; P10-F17 HydrophobicContact CG-CE2 3.83Å
11S52.4Low64.5Low63 Ų6339.3 Ų39.344%0.44120%0.197SC..SBendtrans-74.3-32.9179.645.60000114.3D82S11-D82 VanDerWaalsContact CB-OD2 3.23Å; S11-D82 WeakPolarHBondContact CB-OD2 3.43Å; S11-D82 PolarHBondContact N-OD1 3.27Å; S11-D82 PolarHBondContact OG-OD1 3.42Å; S11-D82 PolarHBondContact OG-OD2 3.49Å
12E55Low64.5Low181 Ų18138.5 Ų38.585%0.84619%0.193SC*.SBendtrans-90.6-32.1-169-68.9-177162.700114
13D57.5Low64.3Low91 Ų9135.9 Ų35.949%0.48718%0.184SC..SBendtrans-109.1130.9-179.5-61.7-41.9000108.5P10 I15P10-D13 HydrophobicContact CG-CB 4.45Å; D13-I15 HydrophobicContact CB-CB 4.13Å; D13-I15 HydrophobicContact CB-CD1 4.07Å; D13-I15 HydrophobicContact CB-CG1 4.03Å; D13-I15 PolarHBondContact O-N 2.88Å
14D62Low63.7Low111 Ų11137.9 Ų37.959%0.59420%0.195SC*.SBendtrans-66.741.7170-82.4-40.4000111.8I44 R45D14-I44 CarbonylContact O-C 3.12Å; D14-I44 WeakPolarHBondContact O-CA 3.09Å; D14-R45 HydrophobicContact CB-CB 4.16Å; D14-R45 WeakPolarHBondContact O-CB 3.3Å; D14-R45 PolarHBondContact O-N 3.04Å
15I64.7Low63Low53 Ų5341 Ų4127%0.27221%0.214SC..EExtended strand (participates in β ladder)trans-123.4111.1-173.6-58.9176.7000108.8P10 D13 F17 E42P10-I15 WeakPolarHBondContact CD-O 3.34Å; P10-I15 WeakPolarHBondContact CG-O 3.18Å; D13-I15 HydrophobicContact CB-CB 4.13Å; D13-I15 HydrophobicContact CB-CD1 4.07Å; D13-I15 HydrophobicContact CB-CG1 4.03Å; D13-I15 PolarHBondContact O-N 2.88Å; I15-F17 HydrophobicContact CB-CE2 4.41Å; I15-F17 HydrophobicContact CG2-CD2 4.42Å; I15-F17 HydrophobicContact CG2-CE2 4.02Å; I15-F17 HydrophobicContact CG2-CZ 4.4Å; I15-F17 WeakPolarHBondContact O-CD2 3.31Å; I15-E42 HydrophobicContact CG2-CB 3.74Å; I15-E42 HydrophobicContact CG2-CG 4.04Å
16C63.2Low62Low1 Ų145.6 Ų45.61%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-75.3132.1170.6-58.10000110.6L7 L9 E42 F43L7-C16 HydrophobicContact CD1-CB 4.47Å; L9-C16 HydrophobicContact CD2-CB 4.34Å; L9-C16 WeakPolarHBondContact CD2-SG 3.2Å; C16-E42 WeakPolarHBondContact O-CA 3.47Å; C16-F43 HydrophobicContact CB-CD1 4.03Å; C16-F43 HydrophobicContact CB-CD2 3.79Å; C16-F43 HydrophobicContact CB-CE1 3.7Å; C16-F43 HydrophobicContact CB-CE2 3.44Å; C16-F43 VanDerWaalsContact CB-CE2 3.44Å; C16-F43 HydrophobicContact CB-CG 4.08Å; C16-F43 HydrophobicContact CB-CZ 3.39Å; C16-F43 WeakPolarHBondContact CB-O 3.24Å; C16-F43 PolarHBondContact N-O 2.95Å; C16-F43 PolarHBondContact O-N 2.94Å; C16-F43 VanDerWaalsContact SG-CE2 3.54Å
17F66Low60.7Low78 Ų7847 Ų4734%0.34226%0.257SS..EExtended strand (participates in β ladder)trans-99.6130.4172.5-73.9-98.2000110.9L7 R8 P10 I15 E42L7-F17 WeakPolarHBondContact CA-O 3.22Å; R8-F17 HydrophobicContact CB-CB 4.37Å; R8-F17 PolarHBondContact N-O 3.35Å; R8-F17 PolarHBondContact O-N 3Å; P10-F17 HydrophobicContact CG-CD2 3.86Å; P10-F17 HydrophobicContact CG-CE2 3.83Å; I15-F17 HydrophobicContact CB-CE2 4.41Å; I15-F17 HydrophobicContact CG2-CD2 4.42Å; I15-F17 HydrophobicContact CG2-CE2 4.02Å; I15-F17 HydrophobicContact CG2-CZ 4.4Å; I15-F17 WeakPolarHBondContact O-CD2 3.31Å; F17-E42 HydrophobicContact CD1-CG 3.44Å; F17-E42 VanDerWaalsContact CD1-CG 3.44Å; F17-E42 HydrophobicContact CE1-CG 3.36Å; F17-E42 WeakPolarHBondContact CE1-OE1 3.41Å; F17-E42 HydrophobicContact CG-CG 4.12Å; F17-E42 HydrophobicContact CZ-CG 3.92Å
18L68.5Low59.1Low5 Ų550.9 Ų50.93%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-123.3128.4178-17686.9000109.9V5 Y6 L7 I20 E40 A41 F43 I109 V124V5-L18 HydrophobicContact CG1-CD1 3.51Å; V5-L18 HydrophobicContact CG1-CG 4.36Å; Y6-L18 CarbonylContact O-C 3.57Å; Y6-L18 WeakPolarHBondContact O-CA 3.48Å; L7-L18 HydrophobicContact CD1-CD1 4.09Å; L18-I20 HydrophobicContact CD2-CD1 4.23Å; L18-I20 HydrophobicContact CD2-CG1 4.34Å; L18-E40 CarbonylContact O-C 3.58Å; L18-E40 VanDerWaalsContact O-CA 3.22Å; L18-E40 WeakPolarHBondContact O-CA 3.17Å; L18-A41 HydrophobicContact CB-CB 4.3Å; L18-A41 WeakPolarHBondContact CB-O 3.48Å; L18-A41 HydrophobicContact CD2-CB 4.21Å; L18-A41 PolarHBondContact N-O 3.15Å; L18-A41 PolarHBondContact O-N 2.93Å; L18-F43 HydrophobicContact CB-CE1 4.18Å; L18-I109 HydrophobicContact CD1-CD1 3.34Å; L18-I109 HydrophobicContact CD2-CD1 3.28Å; L18-I109 HydrophobicContact CG-CD1 3.91Å; L18-V124 HydrophobicContact CD2-CG2 4.34Å
19C66.8Low57.6Low27 Ų2756.5 Ų56.518%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-127.5132.5173.7-176.60000110.6Y6Y6-C19 PolarHBondContact N-O 3.28Å; Y6-C19 PolarHBondContact O-N 3.49Å
20I67.6Low56.5Low0 Ų061.5 Ų61.50%035%0.351CS..EExtended strand (participates in β ladder)trans-116.2118.4-179.3-56.7170.9000109F3 V5 L18 V38 G39 L107 V124F3-I20 HydrophobicContact CD1-CG2 4.39Å; V5-I20 HydrophobicContact CG1-CG1 4.43Å; V5-I20 HydrophobicContact CG2-CG1 4.33Å; L18-I20 HydrophobicContact CD2-CD1 4.23Å; L18-I20 HydrophobicContact CD2-CG1 4.34Å; I20-V38 PolarHBondContact O-N 3.07Å; I20-G39 PolarHBondContact N-O 2.8Å; I20-G39 PolarHBondContact O-N 3.1Å; I20-L107 HydrophobicContact CD1-CB 4.42Å; I20-L107 HydrophobicContact CD1-CD1 4.4Å; I20-L107 HydrophobicContact CD1-CD2 3.74Å; I20-L107 HydrophobicContact CD1-CG 4.41Å; I20-L107 HydrophobicContact CG2-CD1 4.47Å; I20-V124 HydrophobicContact CD1-CB 3.9Å; I20-V124 HydrophobicContact CD1-CG1 4.02Å; I20-V124 HydrophobicContact CD1-CG2 3.69Å
21C67.7Low55.6Low11 Ų1165.1 Ų65.17%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-115.2141.9178.1-59.60000111.1F3 T4 Y6 W35 R36F3-C21 CarbonylContact C-O 3.46Å; F3-C21 WeakPolarHBondContact CA-O 3.33Å; T4-C21 PolarHBondContact N-O 3.22Å; T4-C21 PolarHBondContact O-N 3.24Å; Y6-C21 HydrophobicContact CE2-CB 4.08Å; C21-W35 HydrophobicContact CB-CB 4.39Å; C21-W35 HydrophobicContact CB-CD2 4.45Å; C21-W35 HydrophobicContact CB-CE3 3.64Å; C21-W35 HydrophobicContact CB-CZ3 4.38Å; C21-R36 CarbonylContact C-O 3.57Å; C21-R36 VanDerWaalsContact CA-O 3.27Å; C21-R36 WeakPolarHBondContact CA-O 3.25Å
22V65.3Low55Low7 Ų768.2 Ų68.24%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-117.9130.5178.9178.20000110.8M1 R2 F3 W35 R36 V38 L128M1-V22 HydrophobicContact SD-CG1 4.44Å; R2-V22 CarbonylContact O-C 3.56Å; R2-V22 WeakPolarHBondContact O-CA 3.34Å; F3-V22 HydrophobicContact CD1-CG2 3.2Å; F3-V22 HydrophobicContact CD2-CG2 4.49Å; F3-V22 HydrophobicContact CE1-CB 4.43Å; F3-V22 HydrophobicContact CE1-CG1 4.41Å; F3-V22 HydrophobicContact CE1-CG2 3.16Å; F3-V22 HydrophobicContact CE2-CG2 4.48Å; F3-V22 HydrophobicContact CG-CG2 3.89Å; F3-V22 HydrophobicContact CZ-CG1 4.28Å; F3-V22 HydrophobicContact CZ-CG2 3.84Å; V22-W35 CarbonylContact O-C 3.58Å; V22-W35 WeakPolarHBondContact O-CA 3.29Å; V22-R36 PolarHBondContact N-O 2.81Å; V22-R36 PolarHBondContact O-N 3.17Å; V22-V38 HydrophobicContact CB-CG2 3.65Å; V22-V38 HydrophobicContact CG2-CB 3.98Å; V22-V38 HydrophobicContact CG2-CG2 3.33Å; V22-L128 HydrophobicContact CG1-CD2 4.43Å
23Q64Low54.5Low30 Ų3060.4 Ų60.414%0.1435%0.348CS..EExtended strand (participates in β ladder)trans-108.9125.8170-171.1178.746.200110.1M1 R2 G33 W35M1-Q23 CarbonylContact C-O 3.58Å; M1-Q23 WeakPolarHBondContact CA-O 3.42Å; R2-Q23 HydrophobicContact CB-CB 4.32Å; R2-Q23 PolarHBondContact N-O 2.94Å; R2-Q23 PolarHBondContact O-N 3.22Å; Q23-G33 WeakPolarHBondContact CG-O 3.34Å; Q23-G33 VanDerWaalsContact NE2-CA 3.34Å; Q23-G33 PolarHBondContact NE2-O 3.42Å; Q23-W35 HydrophobicContact CB-CD2 3.87Å; Q23-W35 HydrophobicContact CB-CE3 3.82Å; Q23-W35 HydrophobicContact CB-CH2 3.89Å; Q23-W35 HydrophobicContact CB-CZ2 3.97Å; Q23-W35 HydrophobicContact CB-CZ3 3.83Å; Q23-W35 HydrophobicContact CG-CZ2 4.5Å
24N58.2Low54Low43 Ų4359.4 Ų59.423%0.2334%0.342CS..  trans-81.5120.4170.2-164.50.8000110.4S26 V27N24-S26 PolarHBondContact ND2-OG 3.28Å; N24-S26 PolarHBondContact OD1-N 3.4Å; N24-S26 PolarHBondContact OD1-OG 3.25Å; N24-V27 HydrophobicContact CB-CG2 4.07Å
25T52.8Low53.6Low67 Ų6755.4 Ų55.441%0.41132%0.318SS..SBendtrans-94.1-10.1-177.1520000113.6M1 R2M1-T25 PolarHBondContact N-OG1 3.11Å; M1-T25 VanDerWaalsContact N-OG1 3.14Å; R2-T25 HydrophobicContact CG-CG2 3.69Å
26S47.6Very low53.3Low98 Ų9857.1 Ų57.169%0.68532%0.322SS*.SBendtrans-79.3-9.4177.757.90000113N24N24-S26 PolarHBondContact ND2-OG 3.28Å; N24-S26 PolarHBondContact OD1-N 3.4Å; N24-S26 PolarHBondContact OD1-OG 3.25Å
27V40.6Very low53.3Low54 Ų5461.8 Ų61.833%0.32734%0.342SS..SBendtrans-86.7132.1179.9-163.90000108.8N24 L31N24-V27 HydrophobicContact CB-CG2 4.07Å; V27-L31 HydrophobicContact CG1-CB 3.48Å; V27-L31 VanDerWaalsContact CG1-CB 3.48Å; V27-L31 HydrophobicContact CG1-CD1 3.32Å; V27-L31 HydrophobicContact CG1-CG 4.02Å
28P34.4Very low53.2Low85 Ų8559.3 Ų59.355%0.55233%0.333SS*.  trans-54.1146.7179.618.4-31.3000112.2S30 L31P28-S30 PolarHBondContact O-N 3.39Å; P28-L31 PolarHBondContact O-N 3.39Å
29L34.8Very low52.8Low164 Ų16459.7 Ų59.786%0.85934%0.338SS*.THydrogen-bonded Turntrans-49-22.7-177-89.3140.4000115.4L31 L32L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 PolarHBondContact O-N 3.17Å; L29-L32 PolarHBondContact O-N 3.3Å
30S40Very low52.9Low107 Ų10764.2 Ų64.275%0.74836%0.357SS*.THydrogen-bonded Turntrans-66.2-30.6175.453.90000113P28 L32P28-S30 PolarHBondContact O-N 3.39Å; S30-L32 PolarHBondContact O-N 3.2Å
31L38.4Very low52.8Low92 Ų9264.7 Ų64.748%0.48236%0.361SS..SBendtrans-91.667.9164-74.3156.7000107V27 P28 L29 G33V27-L31 HydrophobicContact CG1-CB 3.48Å; V27-L31 VanDerWaalsContact CG1-CB 3.48Å; V27-L31 HydrophobicContact CG1-CD1 3.32Å; V27-L31 HydrophobicContact CG1-CG 4.02Å; P28-L31 PolarHBondContact O-N 3.39Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 PolarHBondContact O-N 3.17Å; L31-G33 WeakPolarHBondContact O-CA 3.41Å; L31-G33 PolarHBondContact O-N 2.7Å
32L39.7Very low52.6Low127 Ų12769.7 Ų69.767%0.66538%0.383SS*.  trans-28.7108.6170.8-90.7157.1000109.2L29 S30 I34L29-L32 PolarHBondContact O-N 3.3Å; S30-L32 PolarHBondContact O-N 3.2Å; L32-I34 WeakPolarHBondContact O-CG1 3.42Å; L32-I34 PolarHBondContact O-N 3.29Å
33G44Very low52.6Low18 Ų1870.1 Ų70.119%0.18638%0.384CS..  trans-47.5101.2-161.500000111.4Q23 L31 W35Q23-G33 WeakPolarHBondContact CG-O 3.34Å; Q23-G33 VanDerWaalsContact NE2-CA 3.34Å; Q23-G33 PolarHBondContact NE2-O 3.42Å; L31-G33 WeakPolarHBondContact O-CA 3.41Å; L31-G33 PolarHBondContact O-N 2.7Å; G33-W35 PolarHBondContact O-N 3.48Å
34I47.7Very low52.4Low70 Ų7074.9 Ų74.936%0.35941%0.409SS..  trans-63.3112-174.9-59.8171.7000105.6L32 R36 S140L32-I34 WeakPolarHBondContact O-CG1 3.42Å; L32-I34 PolarHBondContact O-N 3.29Å; I34-R36 HydrophobicContact CG2-CG 4.43Å; I34-R36 PolarHBondContact O-N 3.22Å; I34-S140 WeakPolarHBondContact CG2-OG 3.45Å
35W54.7Low52.5Low26 Ų2675.6 Ų75.610%0.09841%0.409CS..EExtended strand (participates in β ladder)trans-69.8122169.5-69.192.1000107.2R2 T4 C21 V22 Q23 G33 W141 Y229R2-W35 HydrophobicContact CB-CH2 4.48Å; T4-W35 WeakPolarHBondContact OG1-CH2 3.43Å; T4-W35 WeakPolarHBondContact OG1-CZ3 3.43Å; C21-W35 HydrophobicContact CB-CB 4.39Å; C21-W35 HydrophobicContact CB-CD2 4.45Å; C21-W35 HydrophobicContact CB-CE3 3.64Å; C21-W35 HydrophobicContact CB-CZ3 4.38Å; V22-W35 CarbonylContact O-C 3.58Å; V22-W35 WeakPolarHBondContact O-CA 3.29Å; Q23-W35 HydrophobicContact CB-CD2 3.87Å; Q23-W35 HydrophobicContact CB-CE3 3.82Å; Q23-W35 HydrophobicContact CB-CH2 3.89Å; Q23-W35 HydrophobicContact CB-CZ2 3.97Å; Q23-W35 HydrophobicContact CB-CZ3 3.83Å; Q23-W35 HydrophobicContact CG-CZ2 4.5Å; G33-W35 PolarHBondContact O-N 3.48Å; W35-W141 HydrophobicContact CB-CH2 4.29Å; W35-W141 HydrophobicContact CB-CZ2 3.95Å; W35-Y229 HydrophobicContact CZ2-CE2 4.21Å
36R57.9Low53Low90 Ų9076.4 Ų76.434%0.3441%0.414SS..EExtended strand (participates in β ladder)trans-103.1128.1170.8-67.2-174.5178.5-174.1-3.6108.1C21 V22 I34 V38C21-R36 CarbonylContact C-O 3.57Å; C21-R36 VanDerWaalsContact CA-O 3.27Å; C21-R36 WeakPolarHBondContact CA-O 3.25Å; V22-R36 PolarHBondContact N-O 2.81Å; V22-R36 PolarHBondContact O-N 3.17Å; I34-R36 HydrophobicContact CG2-CG 4.43Å; I34-R36 PolarHBondContact O-N 3.22Å; R36-V38 HydrophobicContact CB-CG2 4.45Å; R36-V38 WeakPolarHBondContact O-CG2 3.13Å; R36-V38 PolarHBondContact O-N 3.18Å
37K63.7Low53.8Low98 Ų9871.8 Ų71.843%0.42638%0.381SS..EExtended strand (participates in β ladder)trans-64.7121.5165.8-172.7-176.8-176.3-175.50107.2E40K37-E40 VanDerWaalsContact CE-CD 3.46Å; K37-E40 WeakPolarHBondContact CE-OE1 3.31Å; K37-E40 WeakPolarHBondContact CE-OE2 3.03Å; K37-E40 IonicContact NZ-OE1 3.95Å; K37-E40 PolarHBondContact NZ-OE1 3.39Å; K37-E40 IonicContact NZ-OE2 3.98Å; K37-E40 PolarHBondContact NZ-OE2 2.95Å
38V63.1Low55.1Low26 Ų2673 Ų7316%0.15839%0.389CS..EExtended strand (participates in β ladder)trans-111.4-13.2-179.7-1750000111.1I20 V22 R36 L126 L128I20-V38 PolarHBondContact O-N 3.07Å; V22-V38 HydrophobicContact CB-CG2 3.65Å; V22-V38 HydrophobicContact CG2-CB 3.98Å; V22-V38 HydrophobicContact CG2-CG2 3.33Å; R36-V38 HydrophobicContact CB-CG2 4.45Å; R36-V38 WeakPolarHBondContact O-CG2 3.13Å; R36-V38 PolarHBondContact O-N 3.18Å; V38-L126 HydrophobicContact CG1-CD2 3.82Å; V38-L128 HydrophobicContact CG1-CD2 4.13Å; V38-L128 HydrophobicContact CG2-CD2 4Å
39G60.6Low56.5Low13 Ų1371.5 Ų71.513%0.13438%0.379CS..EExtended strand (participates in β ladder)trans-170.115517000000111.9I20I20-G39 PolarHBondContact N-O 2.8Å; I20-G39 PolarHBondContact O-N 3.1Å
40E68.1Low58Low123 Ų12366.2 Ų66.258%0.57537%0.365SS*.EExtended strand (participates in β ladder)trans-133.6155.516567.5-167.3126.800109.3L18 K37L18-E40 CarbonylContact O-C 3.58Å; L18-E40 VanDerWaalsContact O-CA 3.22Å; L18-E40 WeakPolarHBondContact O-CA 3.17Å; K37-E40 VanDerWaalsContact CE-CD 3.46Å; K37-E40 WeakPolarHBondContact CE-OE1 3.31Å; K37-E40 WeakPolarHBondContact CE-OE2 3.03Å; K37-E40 IonicContact NZ-OE1 3.95Å; K37-E40 PolarHBondContact NZ-OE1 3.39Å; K37-E40 IonicContact NZ-OE2 3.98Å; K37-E40 PolarHBondContact NZ-OE2 2.95Å
41A64.8Low59.5Low10 Ų1063.1 Ų63.18%0.08334%0.339CS..EExtended strand (participates in β ladder)trans-153.1144.817300000110.5L18 F122L18-A41 HydrophobicContact CB-CB 4.3Å; L18-A41 WeakPolarHBondContact CB-O 3.48Å; L18-A41 HydrophobicContact CD2-CB 4.21Å; L18-A41 PolarHBondContact N-O 3.15Å; L18-A41 PolarHBondContact O-N 2.93Å; A41-F122 HydrophobicContact CB-CD1 3.75Å; A41-F122 HydrophobicContact CB-CE1 3.19Å; A41-F122 HydrophobicContact CB-CE2 4.05Å; A41-F122 HydrophobicContact CB-CG 4.39Å; A41-F122 HydrophobicContact CB-CZ 3.36Å
42E65.1Low61.1Low115 Ų11564 Ų6454%0.53734%0.34SS..EExtended strand (participates in β ladder)trans-111.3131.8166-75.3167.3-143.600107.2I15 C16 F17I15-E42 HydrophobicContact CG2-CB 3.74Å; I15-E42 HydrophobicContact CG2-CG 4.04Å; C16-E42 WeakPolarHBondContact O-CA 3.47Å; F17-E42 HydrophobicContact CD1-CG 3.44Å; F17-E42 VanDerWaalsContact CD1-CG 3.44Å; F17-E42 HydrophobicContact CE1-CG 3.36Å; F17-E42 WeakPolarHBondContact CE1-OE1 3.41Å; F17-E42 HydrophobicContact CG-CG 4.12Å; F17-E42 HydrophobicContact CZ-CG 3.92Å
43F64.5Low62.7Low17 Ų1758.2 Ų58.28%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-138.414117561.3-89.1000110.7L7 C16 L18 R45 V47 M53 I121L7-F43 HydrophobicContact CD1-CE1 4.14Å; L7-F43 HydrophobicContact CD1-CZ 3.89Å; C16-F43 HydrophobicContact CB-CD1 4.03Å; C16-F43 HydrophobicContact CB-CD2 3.79Å; C16-F43 HydrophobicContact CB-CE1 3.7Å; C16-F43 HydrophobicContact CB-CE2 3.44Å; C16-F43 VanDerWaalsContact CB-CE2 3.44Å; C16-F43 HydrophobicContact CB-CG 4.08Å; C16-F43 HydrophobicContact CB-CZ 3.39Å; C16-F43 WeakPolarHBondContact CB-O 3.24Å; C16-F43 PolarHBondContact N-O 2.95Å; C16-F43 PolarHBondContact O-N 2.94Å; C16-F43 VanDerWaalsContact SG-CE2 3.54Å; L18-F43 HydrophobicContact CB-CE1 4.18Å; F43-R45 PolarHBondContact O-N 3.07Å; F43-V47 HydrophobicContact CE2-CG2 4.4Å; F43-M53 HydrophobicContact CE2-CE 3.88Å; F43-M53 HydrophobicContact CZ-CE 3.72Å; F43-I121 HydrophobicContact CD2-CG2 3.68Å; F43-I121 HydrophobicContact CE2-CG2 3.84Å; F43-I121 HydrophobicContact CG-CG2 4.22Å; F43-I121 HydrophobicContact CZ-CG2 4.5Å
44I60.6Low64.2Low129 Ų12957.3 Ų57.366%0.66230%0.3SS*.EExtended strand (participates in β ladder)trans-58137.5178.1-58169.8000108.9D14 T46D14-I44 CarbonylContact O-C 3.12Å; D14-I44 WeakPolarHBondContact O-CA 3.09Å; I44-T46 PolarHBondContact O-N 2.74Å
45R60.2Low65.3Low58 Ų5854.1 Ų54.122%0.21928%0.284CS..  trans-61.478.7-177.8-170.2-178.8-173.1169.811.2110.9L9 D14 F43 V47 D81L9-R45 HydrophobicContact CD2-CG 3.91Å; D14-R45 HydrophobicContact CB-CB 4.16Å; D14-R45 WeakPolarHBondContact O-CB 3.3Å; D14-R45 PolarHBondContact O-N 3.04Å; F43-R45 PolarHBondContact O-N 3.07Å; R45-V47 VanDerWaalsContact CG-O 3.27Å; R45-V47 WeakPolarHBondContact CG-O 3.37Å; R45-V47 PolarHBondContact O-N 3.2Å; R45-D81 IonicContact CZ-OD1 2.85Å; R45-D81 IonicContact NH1-OD1 3.03Å; R45-D81 PolarHBondContact NH1-OD1 2.81Å; R45-D81 IonicContact NH1-OD2 3.2Å; R45-D81 IonicContact NH2-OD1 2.99Å; R45-D81 PolarHBondContact NH2-OD1 3.01Å; R45-D81 IonicContact NH2-OD2 2.67Å
46T62.2Low66.2Low85 Ų8553.8 Ų53.852%0.52129%0.285SS..  trans-83.44.3168.551.30000111.7I44 K111I44-T46 PolarHBondContact O-N 2.74Å; T46-K111 PolarHBondContact O-NZ 3.37Å
47V64.4Low66.9Low1 Ų150.7 Ų50.71%0.00628%0.275CS..SBendtrans-133.6129.8-167.1-156.90000109.9F43 R45 D51 M53 V78 K111 I121F43-V47 HydrophobicContact CE2-CG2 4.4Å; R45-V47 VanDerWaalsContact CG-O 3.27Å; R45-V47 WeakPolarHBondContact CG-O 3.37Å; R45-V47 PolarHBondContact O-N 3.2Å; V47-D51 HydrophobicContact CG1-CB 3.4Å; V47-D51 VanDerWaalsContact CG1-CB 3.4Å; V47-D51 WeakPolarHBondContact CG1-OD2 3.42Å; V47-M53 HydrophobicContact CB-CE 3.63Å; V47-M53 HydrophobicContact CG1-CE 3.73Å; V47-M53 HydrophobicContact CG1-CG 4.41Å; V47-M53 HydrophobicContact CG2-CE 3.44Å; V47-M53 VanDerWaalsContact CG2-CE 3.44Å; V47-V78 HydrophobicContact CB-CG2 4.47Å; V47-V78 HydrophobicContact CG1-CG2 3.69Å; V47-K111 HydrophobicContact CG1-CD 4.23Å; V47-K111 HydrophobicContact CG1-CG 4.46Å; V47-K111 HydrophobicContact CG2-CD 4.21Å; V47-I121 HydrophobicContact CG2-CD1 3.71Å; V47-I121 HydrophobicContact CG2-CG1 4.46Å
48T67.8Low67.4Low80 Ų8049.6 Ų49.649%0.49127%0.271SS..  trans-88.8149.3-179.139.60000110.3G50 D51T48-G50 PolarHBondContact O-N 3.37Å; T48-D51 PolarHBondContact N-OD2 3.16Å; T48-D51 VanDerWaalsContact N-OD2 3.07Å; T48-D51 VanDerWaalsContact O-CB 3.25Å; T48-D51 WeakPolarHBondContact O-CB 3.5Å; T48-D51 PolarHBondContact O-N 2.91Å; T48-D51 PolarHBondContact OG1-OD1 2.98Å; T48-D51 VanDerWaalsContact OG1-OD1 3.09Å; T48-D51 PolarHBondContact OG1-OD2 3.32Å
49P65Low67.7Low52 Ų5249.5 Ų49.534%0.33827%0.271SS..THydrogen-bonded Turntrans-49.2137.6169.8-2837.5000111.2D51 E80P49-D51 VanDerWaalsContact C-N 3.31Å; P49-D51 PolarHBondContact O-N 2.8Å; P49-E80 HydrophobicContact CB-CG 4.34Å
50G65.7Low68Low54 Ų5455.7 Ų55.756%0.55730%0.302SS*.THydrogen-bonded Turntrans85.1-12.1-176.200000115.6T48 V78T48-G50 PolarHBondContact O-N 3.37Å; G50-V78 PolarHBondContact N-O 3.02Å
51D72.4Confident67.8Low41 Ų4152.4 Ų52.422%0.21928%0.284CS..  trans-62.6146.4171.9-78.5-10.7000110.8V47 T48 P49 V78 K111V47-D51 HydrophobicContact CG1-CB 3.4Å; V47-D51 VanDerWaalsContact CG1-CB 3.4Å; V47-D51 WeakPolarHBondContact CG1-OD2 3.42Å; T48-D51 PolarHBondContact N-OD2 3.16Å; T48-D51 VanDerWaalsContact N-OD2 3.07Å; T48-D51 VanDerWaalsContact O-CB 3.25Å; T48-D51 WeakPolarHBondContact O-CB 3.5Å; T48-D51 PolarHBondContact O-N 2.91Å; T48-D51 PolarHBondContact OG1-OD1 2.98Å; T48-D51 VanDerWaalsContact OG1-OD1 3.09Å; T48-D51 PolarHBondContact OG1-OD2 3.32Å; P49-D51 VanDerWaalsContact C-N 3.31Å; P49-D51 PolarHBondContact O-N 2.8Å; D51-V78 HydrophobicContact CB-CG2 4.24Å; D51-V78 VanDerWaalsContact O-CG2 3.32Å; D51-V78 WeakPolarHBondContact O-CG2 3.46Å; D51-V78 PolarHBondContact O-N 3.25Å; D51-K111 WeakPolarHBondContact OD2-CE 3.36Å; D51-K111 IonicContact OD2-NZ 3.73Å; D51-K111 PolarHBondContact OD2-NZ 3.43Å
52K70.4Confident68Low112 Ų11252.3 Ų52.349%0.48728%0.282SS..EExtended strand (participates in β ladder)trans-94.2108.2175.9-70.8-178.8179179.20110.5E77K52-E77 WeakPolarHBondContact CE-OE1 3.47Å; K52-E77 HydrophobicContact CG-CG 4.01Å; K52-E77 IonicContact NZ-OE1 3.84Å
53M74.5Confident68.2Low4 Ų454.1 Ų54.12%0.0228%0.284CS..EExtended strand (participates in β ladder)trans-84.9144.6166.6-68.6-179-176.500110.2L7 F43 V47 H75 I76 V78 I109 R110 I121L7-M53 HydrophobicContact CD2-CE 4.08Å; L7-M53 HydrophobicContact CD2-SD 3.74Å; F43-M53 HydrophobicContact CE2-CE 3.88Å; F43-M53 HydrophobicContact CZ-CE 3.72Å; V47-M53 HydrophobicContact CB-CE 3.63Å; V47-M53 HydrophobicContact CG1-CE 3.73Å; V47-M53 HydrophobicContact CG1-CG 4.41Å; V47-M53 HydrophobicContact CG2-CE 3.44Å; V47-M53 VanDerWaalsContact CG2-CE 3.44Å; M53-H75 CarbonylContact O-C 3.58Å; M53-H75 VanDerWaalsContact O-CA 3.27Å; M53-H75 WeakPolarHBondContact O-CA 3.3Å; M53-I76 PolarHBondContact N-O 2.87Å; M53-I76 PolarHBondContact O-N 3.43Å; M53-V78 HydrophobicContact CE-CG2 3.55Å; M53-V78 HydrophobicContact CG-CG2 3.72Å; M53-V78 HydrophobicContact SD-CG2 3.86Å; M53-I109 HydrophobicContact CB-CG2 4.29Å; M53-I109 HydrophobicContact CG-CG2 4.41Å; M53-I109 HydrophobicContact SD-CG2 3.94Å; M53-R110 CarbonylContact C-O 3.44Å; M53-R110 WeakPolarHBondContact CA-O 3.42Å; M53-I121 HydrophobicContact CE-CD1 4.07Å; M53-I121 HydrophobicContact CG-CD1 4.13Å; M53-I121 HydrophobicContact SD-CD1 4.3Å
54T74.9Confident68.3Low0 Ų054.5 Ų54.50%029%0.288CS..EExtended strand (participates in β ladder)trans-108.7131.416947.70000110.4F73 H75 I109 R110 F118T54-F73 HydrophobicContact CG2-CB 4.09Å; T54-F73 HydrophobicContact CG2-CD1 4.42Å; T54-H75 WeakPolarHBondContact CG2-CE1 3.34Å; T54-H75 WeakPolarHBondContact CG2-ND1 3.42Å; T54-I109 WeakPolarHBondContact O-CA 3.44Å; T54-R110 PolarHBondContact N-O 2.88Å; T54-R110 PolarHBondContact O-N 3.33Å; T54-R110 PolarHBondContact OG1-O 3.14Å; T54-F118 HydrophobicContact CG2-CD1 4.36Å; T54-F118 HydrophobicContact CG2-CE1 3.63Å; T54-F118 HydrophobicContact CG2-CZ 4.18Å; T54-F118 WeakPolarHBondContact OG1-CD1 3.25Å
55V71.7Confident68.5Low3 Ų351.6 Ų51.62%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-97.4122.4168.3-178.30000108.8V5 H74 I76 I89 L107 I109V5-V55 HydrophobicContact CG1-CG2 4.41Å; V5-V55 HydrophobicContact CG2-CG1 4.13Å; V5-V55 HydrophobicContact CG2-CG2 4.45Å; V55-H74 PolarHBondContact N-O 3.32Å; V55-H74 PolarHBondContact O-N 3.45Å; V55-I76 HydrophobicContact CG2-CD1 3.47Å; V55-I76 VanDerWaalsContact CG2-CD1 3.47Å; V55-I76 HydrophobicContact CG2-CG1 3.99Å; V55-I89 HydrophobicContact CB-CD1 3.94Å; V55-I89 HydrophobicContact CG1-CD1 3.44Å; V55-I89 VanDerWaalsContact CG1-CD1 3.44Å; V55-L107 HydrophobicContact CG1-CD1 4.04Å; V55-L107 HydrophobicContact CG1-CD2 3.45Å; V55-L107 VanDerWaalsContact CG1-CD2 3.45Å; V55-L107 HydrophobicContact CG1-CG 3.74Å; V55-I109 HydrophobicContact CG2-CG1 4.43Å
56V72.8Confident68.3Low19 Ų1951.5 Ų51.512%0.11528%0.28CS..EExtended strand (participates in β ladder)trans-119.5124.3179-176.40000108.7E58 F73 I108V56-E58 HydrophobicContact CG1-CG 4.17Å; V56-F73 HydrophobicContact CG2-CD1 3.82Å; V56-F73 HydrophobicContact CG2-CE1 4Å; V56-I108 PolarHBondContact N-O 3.15Å; V56-I108 PolarHBondContact O-N 3.39Å
57L73.3Confident67.8Low25 Ų2553.1 Ų53.113%0.13128%0.281CS..EExtended strand (participates in β ladder)trans-93.9115.8171.8178.766000109.2L62 V64 C91 L126L57-L62 HydrophobicContact CD2-CB 3.92Å; L57-L62 HydrophobicContact CD2-CD1 4.4Å; L57-V64 HydrophobicContact CB-CG2 4.09Å; L57-V64 HydrophobicContact CD2-CG2 4.15Å; L57-C91 HydrophobicContact CD2-CB 4.35Å; L57-C91 WeakPolarHBondContact CD2-SG 3.25Å; L57-L126 HydrophobicContact CD1-CD1 3.35Å
58E72.6Confident66.7Low74 Ų7462.2 Ų62.235%0.34633%0.329SS..EExtended strand (participates in β ladder)trans-107107.3171.5-68.2-177.3-174.500108.9V56 G105 K106 I108 R110V56-E58 HydrophobicContact CG1-CG 4.17Å; E58-G105 CarbonylContact O-C 3.48Å; E58-G105 WeakPolarHBondContact O-CA 3.47Å; E58-K106 HydrophobicContact CB-CG 3.89Å; E58-K106 PolarHBondContact N-O 2.84Å; E58-K106 PolarHBondContact O-N 3.28Å; E58-K106 WeakPolarHBondContact OE2-CE 3.37Å; E58-K106 IonicContact OE2-NZ 3.16Å; E58-I108 HydrophobicContact CG-CD1 4.07Å; E58-I108 WeakPolarHBondContact OE1-CD1 3.27Å; E58-I108 WeakPolarHBondContact OE2-CD1 3.4Å; E58-R110 IonicContact OE1-NH2 2.6Å; E58-R110 PolarHBondContact OE1-NH2 3.02Å
59S70.1Confident65.4Low24 Ų2462.4 Ų62.417%0.16835%0.347CS..  trans-149.9142.3-1801730000110Y61 L62 F104S59-Y61 VanDerWaalsContact C-N 3.3Å; S59-Y61 PolarHBondContact OG-N 3.46Å; S59-L62 PolarHBondContact OG-N 2.99Å; S59-F104 WeakPolarHBondContact CB-O 3.4Å; S59-F104 PolarHBondContact OG-O 3.39Å
60N66.5Low64.4Low144 Ų14465 Ų6577%0.7735%0.354SS*.SBendtrans-80.5-16.4170.8-64.9-21.6000112.1
61Y63.6Low63.7Low54 Ų5466.5 Ų66.521%0.21235%0.353CS..SBendtrans-107.1-22.4-173.4-56.3-70000113.1S59 M93 L94 A97 F104S59-Y61 VanDerWaalsContact C-N 3.3Å; S59-Y61 PolarHBondContact OG-N 3.46Å; Y61-M93 CarbonylContact O-C 3.58Å; Y61-M93 WeakPolarHBondContact O-CA 3.36Å; Y61-L94 PolarHBondContact O-N 3.24Å; Y61-A97 HydrophobicContact CD1-CB 3.65Å; Y61-A97 HydrophobicContact CE1-CB 3.85Å; Y61-A97 HydrophobicContact CG-CB 4.05Å; Y61-F104 HydrophobicContact CD2-CD1 4.25Å; Y61-F104 WeakPolarHBondContact CD2-O 3.42Å; Y61-F104 HydrophobicContact CG-CD1 4.27Å
62L69.5Low62.9Low7 Ų772.6 Ų72.64%0.03738%0.377CS..EExtended strand (participates in β ladder)trans-116.7132-177-62.4168.3000110.8M1 F3 L57 S59 C91 Q92 M93M1-L62 HydrophobicContact SD-CD2 4.29Å; F3-L62 HydrophobicContact CE2-CD1 3.78Å; F3-L62 HydrophobicContact CZ-CD1 3.52Å; L57-L62 HydrophobicContact CD2-CB 3.92Å; L57-L62 HydrophobicContact CD2-CD1 4.4Å; S59-L62 PolarHBondContact OG-N 2.99Å; L62-C91 HydrophobicContact CD2-CB 4.48Å; L62-Q92 WeakPolarHBondContact CA-O 2.99Å; L62-M93 HydrophobicContact CD2-CB 4.49Å; L62-M93 HydrophobicContact CD2-CG 4.44Å
63R69Low62.3Low153 Ų15371 Ų7158%0.57737%0.37SS*.EExtended strand (participates in β ladder)trans-114.7129.8171.7-175.4174.7178.6178.31.5110.1E65 C91 Q92 L94R63-E65 PolarHBondContact O-N 3.01Å; R63-C91 CarbonylContact O-C 3.46Å; R63-C91 VanDerWaalsContact O-CA 3.25Å; R63-C91 WeakPolarHBondContact O-CA 3.49Å; R63-Q92 PolarHBondContact N-O 2.76Å; R63-Q92 PolarHBondContact O-N 3.22Å; R63-L94 HydrophobicContact CB-CD1 3.94Å; R63-L94 HydrophobicContact CB-CD2 3.83Å; R63-L94 HydrophobicContact CB-CG 3.8Å
64V67.9Low62Low25 Ų2572.2 Ų72.215%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-64.2125.3170.8177.70000109.6L57 S66 H74 I89 K90L57-V64 HydrophobicContact CB-CG2 4.09Å; L57-V64 HydrophobicContact CD2-CG2 4.15Å; V64-S66 PolarHBondContact O-N 2.89Å; V64-S66 VanDerWaalsContact O-N 3.13Å; V64-H74 WeakPolarHBondContact CG1-NE2 3.25Å; V64-I89 HydrophobicContact CG1-CG2 4.06Å; V64-I89 HydrophobicContact CG2-CG2 4.01Å; V64-K90 WeakPolarHBondContact CA-O 3.45Å
65E63.3Low61.7Low69 Ų6976 Ų7632%0.32239%0.393SS..  trans-68.3105.9168-71.2-174.4161.600107.8R63 K90 Q92R63-E65 PolarHBondContact O-N 3.01Å; E65-K90 HydrophobicContact CB-CB 4.04Å; E65-K90 HydrophobicContact CG-CB 4.41Å; E65-K90 PolarHBondContact N-O 3.15Å; E65-K90 WeakPolarHBondContact OE2-CB 3.39Å; E65-Q92 HydrophobicContact CG-CB 4.45Å; E65-Q92 HydrophobicContact CG-CG 3.54Å; E65-Q92 VanDerWaalsContact OE1-CD 3.31Å; E65-Q92 WeakPolarHBondContact OE1-CG 3.37Å; E65-Q92 PolarHBondContact OE1-NE2 3.07Å
66S57.8Low61.7Low56 Ų5676.2 Ų76.239%0.39240%0.395SS..  trans-105128.9167.3380000108.2V64V64-S66 PolarHBondContact O-N 2.89Å; V64-S66 VanDerWaalsContact O-N 3.13Å
67H50.7Low61.5Low118 Ų11880.7 Ų80.755%0.54641%0.414SS..  trans-73.5151.6163.6-63.7-59000109G69 E70H67-G69 PolarHBondContact O-N 3.11Å; H67-E70 IonicContact CD2-OE2 2.94Å; H67-E70 PolarHBondContact N-OE2 3.37Å; H67-E70 PolarHBondContact O-N 3.21Å
68L41.4Very low61.2Low193 Ų19379.8 Ų79.8100%1.0141%0.41SS*.THydrogen-bonded Turntrans-49.6113.7178.2-90.8126.8000110.5
69G41.3Very low60.9Low84 Ų8476.5 Ų76.587%0.86640%0.395SS*.THydrogen-bonded Turntrans106.3-10.7179.200000115.6H67H67-G69 PolarHBondContact O-N 3.11Å
70E44.1Very low60.6Low105 Ų10581.2 Ų81.249%0.49141%0.414SS..  trans-79.6133.2173.7-71.8176157.100110.9H67H67-E70 IonicContact CD2-OE2 2.94Å; H67-E70 PolarHBondContact N-OE2 3.37Å; H67-E70 PolarHBondContact O-N 3.21Å
71T49.9Very low60.6Low86 Ų8678 Ų7853%0.52840%0.397SS..  trans-62142.4172.146.40000109.5F73T71-F73 PolarHBondContact O-N 3.03Å; T71-F73 PolarHBondContact OG1-O 2.9Å
72K55.8Low60.5Low169 Ų16979.1 Ų79.174%0.73541%0.407SS*.SBendtrans-60.2-11.2170.5-73.8-176.7178.4179.30113.2
73F58.9Low60.2Low78 Ų7883 Ų8334%0.34242%0.424SS..  trans-95.8119.1-178.1-60.7-73.3000110.3T54 V56 T71T54-F73 HydrophobicContact CG2-CB 4.09Å; T54-F73 HydrophobicContact CG2-CD1 4.42Å; V56-F73 HydrophobicContact CG2-CD1 3.82Å; V56-F73 HydrophobicContact CG2-CE1 4Å; T71-F73 PolarHBondContact O-N 3.03Å; T71-F73 PolarHBondContact OG1-O 2.9Å
74H66.7Low60.1Low31 Ų3178 Ų7814%0.14441%0.413CS..EExtended strand (participates in β ladder)trans-92.2107171.8-67.9-65.8000109.4V55 V64 I89V55-H74 PolarHBondContact N-O 3.32Å; V55-H74 PolarHBondContact O-N 3.45Å; V64-H74 WeakPolarHBondContact CG1-NE2 3.25Å; H74-I89 HydrophobicContact CB-CD1 4.09Å; H74-I89 HydrophobicContact CB-CG1 4.11Å
75H70Confident60.2Low78 Ų7878.9 Ų78.936%0.36142%0.418SS..EExtended strand (participates in β ladder)trans-79.9136.7177.9-60.1-79.3000111.2M53 T54M53-H75 CarbonylContact O-C 3.58Å; M53-H75 VanDerWaalsContact O-CA 3.27Å; M53-H75 WeakPolarHBondContact O-CA 3.3Å; T54-H75 WeakPolarHBondContact CG2-CE1 3.34Å; T54-H75 WeakPolarHBondContact CG2-ND1 3.42Å
76I70.6Confident60.4Low8 Ų878.2 Ų78.24%0.04143%0.425CS..EExtended strand (participates in β ladder)trans-121121.3168.9-54.6-172.9000106V5 L7 M53 V55 V85 K87V5-I76 HydrophobicContact CB-CD1 4.06Å; V5-I76 HydrophobicContact CG1-CD1 4.01Å; L7-I76 HydrophobicContact CD2-CG2 4.36Å; M53-I76 PolarHBondContact N-O 2.87Å; M53-I76 PolarHBondContact O-N 3.43Å; V55-I76 HydrophobicContact CG2-CD1 3.47Å; V55-I76 VanDerWaalsContact CG2-CD1 3.47Å; V55-I76 HydrophobicContact CG2-CG1 3.99Å; I76-V85 HydrophobicContact CG2-CB 4.3Å; I76-V85 HydrophobicContact CG2-CG1 3.77Å; I76-K87 HydrophobicContact CD1-CB 3.56Å; I76-K87 HydrophobicContact CD1-CG 4.39Å; I76-K87 HydrophobicContact CG1-CB 3.6Å; I76-K87 HydrophobicContact CG1-CG 4.04Å
77E68.5Low61.1Low114 Ų11479.7 Ų79.753%0.53342%0.424SS..EExtended strand (participates in β ladder)trans-78.7132.1169.9-77.3172.9-178.600108.1K52 P79K52-E77 WeakPolarHBondContact CE-OE1 3.47Å; K52-E77 HydrophobicContact CG-CG 4.01Å; K52-E77 IonicContact NZ-OE1 3.84Å; E77-P79 WeakPolarHBondContact O-CD 3.39Å
78V67.4Low62Low5 Ų577 Ų773%0.0342%0.416CS..PPolyproline II helixtrans-69.3122.9-178.91760000108.4L7 L9 V47 G50 D51 M53L7-V78 HydrophobicContact CD2-CG2 4.16Å; L9-V78 HydrophobicContact CD1-CG1 3.24Å; L9-V78 HydrophobicContact CG-CG1 4.38Å; V47-V78 HydrophobicContact CB-CG2 4.47Å; V47-V78 HydrophobicContact CG1-CG2 3.69Å; G50-V78 PolarHBondContact N-O 3.02Å; D51-V78 HydrophobicContact CB-CG2 4.24Å; D51-V78 VanDerWaalsContact O-CG2 3.32Å; D51-V78 WeakPolarHBondContact O-CG2 3.46Å; D51-V78 PolarHBondContact O-N 3.25Å; M53-V78 HydrophobicContact CE-CG2 3.55Å; M53-V78 HydrophobicContact CG-CG2 3.72Å; M53-V78 HydrophobicContact SD-CG2 3.86Å
79P65.8Low63.4Low6 Ų667.9 Ų67.94%0.03937%0.368CS..PPolyproline II helixtrans-59.9163-179.812.9-19.4000112.7L9 E77 Q83 V85L9-P79 HydrophobicContact CD1-CG 4.46Å; L9-P79 WeakPolarHBondContact CD1-O 3.43Å; E77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-Q83 HydrophobicContact CB-CB 3.57Å; P79-Q83 WeakPolarHBondContact CB-O 3.36Å; P79-Q83 WeakPolarHBondContact CG-O 3.47Å; P79-V85 HydrophobicContact CB-CG2 3.78Å; P79-V85 HydrophobicContact CG-CB 4.38Å; P79-V85 HydrophobicContact CG-CG2 3.85Å
80E65Low64.7Low123 Ų12368.1 Ų68.158%0.57535%0.346SS*.PPolyproline II helixtrans-70.7169.2160.5-67.2176.5167.400110.8P49 D82 Q83P49-E80 HydrophobicContact CB-CG 4.34Å; E80-D82 PolarHBondContact O-N 2.85Å; E80-Q83 WeakPolarHBondContact O-CB 3.5Å; E80-Q83 PolarHBondContact O-N 3.47Å; E80-Q83 PolarHBondContact OE2-NE2 3.22Å
81D66.2Low65.9Low75 Ų7563.1 Ų63.140%0.40132%0.323SS..THydrogen-bonded Turntrans-55.8137.8-178.6-60.3-31.4000111R45 Q83R45-D81 IonicContact CZ-OD1 2.85Å; R45-D81 IonicContact NH1-OD1 3.03Å; R45-D81 PolarHBondContact NH1-OD1 2.81Å; R45-D81 IonicContact NH1-OD2 3.2Å; R45-D81 IonicContact NH2-OD1 2.99Å; R45-D81 PolarHBondContact NH2-OD1 3.01Å; R45-D81 IonicContact NH2-OD2 2.67Å; D81-Q83 PolarHBondContact O-N 3.11Å; D81-Q83 VanDerWaalsContact O-N 3.16Å
82D59.9Low66.7Low79 Ų7963.9 Ų63.942%0.42232%0.32SS..THydrogen-bonded Turntrans62.89.9-175.2-63.1-39.8000116.6L9 S11 E80L9-D82 WeakPolarHBondContact O-CA 3.36Å; L9-D82 PolarHBondContact O-N 2.86Å; S11-D82 VanDerWaalsContact CB-OD2 3.23Å; S11-D82 WeakPolarHBondContact CB-OD2 3.43Å; S11-D82 PolarHBondContact N-OD1 3.27Å; S11-D82 PolarHBondContact OG-OD1 3.42Å; S11-D82 PolarHBondContact OG-OD2 3.49Å; E80-D82 PolarHBondContact O-N 2.85Å
83Q65Low67Low87 Ų8759.2 Ų59.241%0.40730%0.302SS..  trans-96.5150.7170.5-63.5179.915.400112.2P79 E80 D81P79-Q83 HydrophobicContact CB-CB 3.57Å; P79-Q83 WeakPolarHBondContact CB-O 3.36Å; P79-Q83 WeakPolarHBondContact CG-O 3.47Å; E80-Q83 WeakPolarHBondContact O-CB 3.5Å; E80-Q83 PolarHBondContact O-N 3.47Å; E80-Q83 PolarHBondContact OE2-NE2 3.22Å; D81-Q83 PolarHBondContact O-N 3.11Å; D81-Q83 VanDerWaalsContact O-N 3.16Å
84S66.7Low67.2Low49 Ų4960.2 Ų60.234%0.34331%0.31SS..EExtended strand (participates in β ladder)trans-118.6136.2173.862.10000111.2L7 L152L7-S84 WeakPolarHBondContact O-CA 3.47Å; S84-L152 PolarHBondContact OG-O 3.44Å
85V69Low66.7Low43 Ų4365.1 Ų65.126%0.26133%0.333SS..EExtended strand (participates in β ladder)trans-120.4134.1177.31790000109.3Y6 L7 I76 P79Y6-V85 WeakPolarHBondContact CA-O 3.32Å; L7-V85 PolarHBondContact N-O 3.12Å; L7-V85 PolarHBondContact O-N 3.38Å; I76-V85 HydrophobicContact CG2-CB 4.3Å; I76-V85 HydrophobicContact CG2-CG1 3.77Å; P79-V85 HydrophobicContact CB-CG2 3.78Å; P79-V85 HydrophobicContact CG-CB 4.38Å; P79-V85 HydrophobicContact CG-CG2 3.85Å
86A68.8Low65.8Low56 Ų5669.6 Ų69.646%0.46336%0.356SS..EExtended strand (participates in β ladder)trans-117.7135.2177.600000111T4 V5 Y6T4-A86 HydrophobicContact CG2-CB 4.15Å; V5-A86 CarbonylContact O-C 3.23Å; V5-A86 WeakPolarHBondContact O-CA 3.39Å; Y6-A86 HydrophobicContact CD1-CB 3.45Å; Y6-A86 VanDerWaalsContact CD1-CB 3.45Å; Y6-A86 HydrophobicContact CE1-CB 3.46Å; Y6-A86 VanDerWaalsContact CE1-CB 3.46Å; Y6-A86 HydrophobicContact CG-CB 4.39Å
87K72.1Confident64.7Low86 Ų8669.8 Ų69.837%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-129.6122.5172.8-167.471.8172.9-1680111.2T4 V5 I76T4-K87 WeakPolarHBondContact CA-O 3.49Å; V5-K87 PolarHBondContact N-O 2.85Å; V5-K87 PolarHBondContact O-N 3.48Å; I76-K87 HydrophobicContact CD1-CB 3.56Å; I76-K87 HydrophobicContact CD1-CG 4.39Å; I76-K87 HydrophobicContact CG1-CB 3.6Å; I76-K87 HydrophobicContact CG1-CG 4.04Å
88T68.1Low63.7Low61 Ų6170.5 Ų70.537%0.37436%0.362SS..EExtended strand (participates in β ladder)trans-95.3125.9176.2-51.80000111.4R2 F3 T4R2-T88 HydrophobicContact CB-CG2 3.99Å; R2-T88 HydrophobicContact CG-CG2 4.46Å; F3-T88 CarbonylContact O-C 3.55Å; F3-T88 VanDerWaalsContact O-CA 3.31Å; F3-T88 WeakPolarHBondContact O-CA 3.45Å; T4-T88 WeakPolarHBondContact OG1-CG2 3.12Å; T4-T88 PolarHBondContact OG1-OG1 3.21Å
89I70.8Confident62.9Low2 Ų275 Ų751%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-106.2122.5174.6-55.6176.9000107.9R2 F3 V55 V64 H74R2-I89 CarbonylContact C-O 3.5Å; R2-I89 WeakPolarHBondContact CA-O 3.29Å; F3-I89 HydrophobicContact CB-CB 4.43Å; F3-I89 PolarHBondContact N-O 3.07Å; F3-I89 PolarHBondContact O-N 2.96Å; V55-I89 HydrophobicContact CB-CD1 3.94Å; V55-I89 HydrophobicContact CG1-CD1 3.44Å; V55-I89 VanDerWaalsContact CG1-CD1 3.44Å; V64-I89 HydrophobicContact CG1-CG2 4.06Å; V64-I89 HydrophobicContact CG2-CG2 4.01Å; H74-I89 HydrophobicContact CB-CD1 4.09Å; H74-I89 HydrophobicContact CB-CG1 4.11Å
90K70.6Confident62Low89 Ų8982 Ų8239%0.38742%0.423SS..EExtended strand (participates in β ladder)trans-88.2130.6174.9-66.6-178.7-176.41700109.3R2 V64 E65R2-K90 HydrophobicContact CG-CG 4.21Å; V64-K90 WeakPolarHBondContact CA-O 3.45Å; E65-K90 HydrophobicContact CB-CB 4.04Å; E65-K90 HydrophobicContact CG-CB 4.41Å; E65-K90 PolarHBondContact N-O 3.15Å; E65-K90 WeakPolarHBondContact OE2-CB 3.39Å
91C68Low61.3Low1 Ų181.5 Ų81.51%0.00742%0.419CS..EExtended strand (participates in β ladder)trans-128.8135.3-179.4-570000111.2M1 F3 L57 L62 R63M1-C91 PolarHBondContact N-O 3.11Å; M1-C91 PolarHBondContact O-N 3.05Å; F3-C91 HydrophobicContact CD2-CB 4.06Å; F3-C91 VanDerWaalsContact CD2-SG 3.58Å; F3-C91 HydrophobicContact CE2-CB 4.01Å; L57-C91 HydrophobicContact CD2-CB 4.35Å; L57-C91 WeakPolarHBondContact CD2-SG 3.25Å; L62-C91 HydrophobicContact CD2-CB 4.48Å; R63-C91 CarbonylContact O-C 3.46Å; R63-C91 VanDerWaalsContact O-CA 3.25Å; R63-C91 WeakPolarHBondContact O-CA 3.49Å
92Q66.2Low60.8Low101 Ų10181.2 Ų81.247%0.47242%0.423SS..EExtended strand (participates in β ladder)trans-94.8143.6167.1-76.6173.93.100110.1L62 R63 E65L62-Q92 WeakPolarHBondContact CA-O 2.99Å; R63-Q92 PolarHBondContact N-O 2.76Å; R63-Q92 PolarHBondContact O-N 3.22Å; E65-Q92 HydrophobicContact CG-CB 4.45Å; E65-Q92 HydrophobicContact CG-CG 3.54Å; E65-Q92 VanDerWaalsContact OE1-CD 3.31Å; E65-Q92 WeakPolarHBondContact OE1-CG 3.37Å; E65-Q92 PolarHBondContact OE1-NE2 3.07Å
93M63.4Low60.5Low72 Ų7280.8 Ų80.836%0.35542%0.424SS..EExtended strand (participates in β ladder)trans-85.9123.4172.8-158.4171.37700108.2M1 Y61 L62 Q95 M96M1-M93 HydrophobicContact CE-SD 4.38Å; Y61-M93 CarbonylContact O-C 3.58Å; Y61-M93 WeakPolarHBondContact O-CA 3.36Å; L62-M93 HydrophobicContact CD2-CB 4.49Å; L62-M93 HydrophobicContact CD2-CG 4.44Å; M93-Q95 WeakPolarHBondContact CG-O 3.29Å; M93-M96 HydrophobicContact CE-CE 3.72Å; M93-M96 HydrophobicContact CE-CG 4.34Å; M93-M96 HydrophobicContact CE-SD 3.48Å; M93-M96 WeakPolarHBondContact CE-SD 3.22Å
94L62.5Low60.3Low98 Ų9876.9 Ų76.951%0.51341%0.406SS..  trans-82.6-38.8-175.4-72.2174.5000112.7Y61 R63Y61-L94 PolarHBondContact O-N 3.24Å; R63-L94 HydrophobicContact CB-CD1 3.94Å; R63-L94 HydrophobicContact CB-CD2 3.83Å; R63-L94 HydrophobicContact CB-CG 3.8Å
95Q56.4Low60.4Low135 Ų13575.2 Ų75.263%0.63140%0.397SS*.SBendtrans-134148.1177.5-79.2-179.6-12.300109.4M93 A97M93-Q95 WeakPolarHBondContact CG-O 3.29Å; Q95-A97 PolarHBondContact O-N 2.82Å
96M51.7Low60.6Low171 Ų17176 Ų7684%0.84240%0.396SS*.  trans-65.290163.6-73.4-73163.300107.1M93 E98M93-M96 HydrophobicContact CE-CE 3.72Å; M93-M96 HydrophobicContact CE-CG 4.34Å; M93-M96 HydrophobicContact CE-SD 3.48Å; M93-M96 WeakPolarHBondContact CE-SD 3.22Å; M96-E98 PolarHBondContact O-N 3.49Å
97A47.9Very low60.8Low12 Ų1273.4 Ų73.410%0.09938%0.375CS..  trans-61.1133.8168.600000107.5Y61 Q95 L99 F104Y61-A97 HydrophobicContact CD1-CB 3.65Å; Y61-A97 HydrophobicContact CE1-CB 3.85Å; Y61-A97 HydrophobicContact CG-CB 4.05Å; Q95-A97 PolarHBondContact O-N 2.82Å; A97-L99 PolarHBondContact O-N 3.28Å; A97-F104 HydrophobicContact CB-CD1 4.45Å; A97-F104 HydrophobicContact CB-CE1 3.57Å; A97-F104 HydrophobicContact CB-CE2 4.3Å; A97-F104 HydrophobicContact CB-CZ 3.49Å; A97-F104 VanDerWaalsContact CB-CZ 3.49Å
98E47.4Very low60.9Low129 Ų12969.4 Ų69.460%0.60336%0.357SS*.  trans-52.7118.4163.6-71.5172.615300106.8M96 N100 K101M96-E98 PolarHBondContact O-N 3.49Å; E98-N100 PolarHBondContact O-N 3.3Å; E98-K101 PolarHBondContact O-N 3.41Å; E98-K101 WeakPolarHBondContact OE2-CE 3.29Å; E98-K101 IonicContact OE2-NZ 2.83Å; E98-K101 PolarHBondContact OE2-NZ 3.43Å
99L48.8Very low61.2Low101 Ų10166.6 Ų66.653%0.52934%0.34SS..THydrogen-bonded Turntrans-54.6-12-170.7-78.2122.9000114.3A97 F130A97-L99 PolarHBondContact O-N 3.28Å; L99-F130 HydrophobicContact CD2-CB 3.41Å; L99-F130 VanDerWaalsContact CD2-CB 3.41Å; L99-F130 HydrophobicContact CD2-CD2 3.8Å; L99-F130 HydrophobicContact CD2-CG 3.77Å
100N48.6Very low61.4Low153 Ų15369.2 Ų69.282%0.81835%0.35SS*.THydrogen-bonded Turntrans-97.31.1-177.4-61.1-7.7000114E98 S102E98-N100 PolarHBondContact O-N 3.3Å; N100-S102 PolarHBondContact O-N 3.29Å
101K49.7Very low61.7Low111 Ų11167.1 Ų67.148%0.48334%0.341SS..  trans-95.484.5175.9-76.5177.5174.5149.10110.8E98E98-K101 PolarHBondContact O-N 3.41Å; E98-K101 WeakPolarHBondContact OE2-CE 3.29Å; E98-K101 IonicContact OE2-NZ 2.83Å; E98-K101 PolarHBondContact OE2-NZ 3.43Å
102S54.5Low61.5Low70 Ų7071.7 Ų71.749%0.4936%0.362SS..  trans-79.7142.916149.20000110.4N100 D127N100-S102 PolarHBondContact O-N 3.29Å; S102-D127 WeakPolarHBondContact CB-OD1 3.23Å
103P54.7Low61.3Low69 Ų6968.7 Ų68.745%0.44835%0.352SS..  cis-85.9145.1-3.531.8-32.6000113.1G105 D127P103-G105 PolarHBondContact O-N 2.91Å; P103-D127 VanDerWaalsContact CA-OD1 3.24Å; P103-D127 WeakPolarHBondContact CA-OD1 3.47Å; P103-D127 VanDerWaalsContact CB-OD1 3.32Å; P103-D127 WeakPolarHBondContact CB-OD1 3.3Å
104F61.2Low61.1Low6 Ų670.5 Ų70.53%0.02637%0.372CS..  trans-70.3-17.2175.6-103.3-101.7000112.6S59 Y61 A97 L126 L128S59-F104 WeakPolarHBondContact CB-O 3.4Å; S59-F104 PolarHBondContact OG-O 3.39Å; Y61-F104 HydrophobicContact CD2-CD1 4.25Å; Y61-F104 WeakPolarHBondContact CD2-O 3.42Å; Y61-F104 HydrophobicContact CG-CD1 4.27Å; A97-F104 HydrophobicContact CB-CD1 4.45Å; A97-F104 HydrophobicContact CB-CE1 3.57Å; A97-F104 HydrophobicContact CB-CE2 4.3Å; A97-F104 HydrophobicContact CB-CZ 3.49Å; A97-F104 VanDerWaalsContact CB-CZ 3.49Å; F104-L126 WeakPolarHBondContact CB-O 3.3Å; F104-L126 PolarHBondContact N-O 3.45Å; F104-L128 HydrophobicContact CB-CD1 4.22Å; F104-L128 HydrophobicContact CB-CG 4.48Å; F104-L128 HydrophobicContact CD1-CD1 4Å; F104-L128 HydrophobicContact CD2-CB 3.9Å; F104-L128 HydrophobicContact CD2-CD1 4.35Å; F104-L128 HydrophobicContact CE1-CD1 4.41Å; F104-L128 HydrophobicContact CE2-CB 4.21Å; F104-L128 HydrophobicContact CG-CB 4.29Å; F104-L128 HydrophobicContact CG-CD1 3.94Å; F104-L128 HydrophobicContact CG-CG 4.43Å
105G68.8Low60.9Low14 Ų1471.1 Ų71.114%0.14438%0.376CS..EExtended strand (participates in β ladder)trans158.6-165.9-179.500000110.4E58 P103 L126E58-G105 CarbonylContact O-C 3.48Å; E58-G105 WeakPolarHBondContact O-CA 3.47Å; P103-G105 PolarHBondContact O-N 2.91Å; G105-L126 PolarHBondContact O-N 2.95Å
106K72.9Confident60.9Low59 Ų5969.5 Ų69.526%0.25738%0.379SS..EExtended strand (participates in β ladder)trans-139.3144.3178.157.3174.7178.3168.10111.2E58 I108 E123 V124E58-K106 HydrophobicContact CB-CG 3.89Å; E58-K106 PolarHBondContact N-O 2.84Å; E58-K106 PolarHBondContact O-N 3.28Å; E58-K106 WeakPolarHBondContact OE2-CE 3.37Å; E58-K106 IonicContact OE2-NZ 3.16Å; K106-I108 HydrophobicContact CD-CD1 4.04Å; K106-I108 HydrophobicContact CD-CG1 4.19Å; K106-I108 HydrophobicContact CG-CD1 4.4Å; K106-I108 HydrophobicContact CG-CG1 4.27Å; K106-E123 HydrophobicContact CB-CG 4.18Å; K106-E123 HydrophobicContact CD-CG 3.9Å; K106-E123 WeakPolarHBondContact CD-OE1 3.18Å; K106-E123 VanDerWaalsContact NZ-CD 3.28Å; K106-E123 IonicContact NZ-OE1 3.71Å; K106-E123 PolarHBondContact NZ-OE1 2.87Å; K106-E123 IonicContact NZ-OE2 2.73Å; K106-E123 PolarHBondContact NZ-OE2 3.41Å; K106-V124 CarbonylContact C-O 3.5Å; K106-V124 VanDerWaalsContact CA-O 3.25Å; K106-V124 WeakPolarHBondContact CA-O 3.22Å
107L72.5Confident61.4Low1 Ų166.8 Ų66.81%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-108.7116175.4-165.7142.9000107.7V5 I20 V55 I109 V124 L126V5-L107 HydrophobicContact CG2-CD1 4.15Å; V5-L107 HydrophobicContact CG2-CD2 4.18Å; I20-L107 HydrophobicContact CD1-CB 4.42Å; I20-L107 HydrophobicContact CD1-CD1 4.4Å; I20-L107 HydrophobicContact CD1-CD2 3.74Å; I20-L107 HydrophobicContact CD1-CG 4.41Å; I20-L107 HydrophobicContact CG2-CD1 4.47Å; V55-L107 HydrophobicContact CG1-CD1 4.04Å; V55-L107 HydrophobicContact CG1-CD2 3.45Å; V55-L107 VanDerWaalsContact CG1-CD2 3.45Å; V55-L107 HydrophobicContact CG1-CG 3.74Å; L107-I109 HydrophobicContact CD2-CG1 4.2Å; L107-V124 PolarHBondContact N-O 3.03Å; L107-V124 PolarHBondContact O-N 3.33Å; L107-L126 HydrophobicContact CB-CD1 4.26Å; L107-L126 HydrophobicContact CB-CD2 4.36Å; L107-L126 HydrophobicContact CB-CG 4.32Å
108I73.9Confident62.2Low2 Ų269.1 Ų69.11%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-107.6129.3-174.3-52.8179.2000108.4V56 E58 K106 R110 T120 F122 E123V56-I108 PolarHBondContact N-O 3.15Å; V56-I108 PolarHBondContact O-N 3.39Å; E58-I108 HydrophobicContact CG-CD1 4.07Å; E58-I108 WeakPolarHBondContact OE1-CD1 3.27Å; E58-I108 WeakPolarHBondContact OE2-CD1 3.4Å; K106-I108 HydrophobicContact CD-CD1 4.04Å; K106-I108 HydrophobicContact CD-CG1 4.19Å; K106-I108 HydrophobicContact CG-CD1 4.4Å; K106-I108 HydrophobicContact CG-CG1 4.27Å; I108-R110 HydrophobicContact CG2-CG 3.79Å; I108-T120 HydrophobicContact CG2-CG2 3.54Å; I108-F122 WeakPolarHBondContact CA-O 3.41Å; I108-E123 HydrophobicContact CG1-CG 4.21Å
109I74.6Confident63.3Low3 Ų369 Ų692%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-103.8121.5173.1-59.3179.7000107.7L18 M53 T54 V55 L107 I121 F122L18-I109 HydrophobicContact CD1-CD1 3.34Å; L18-I109 HydrophobicContact CD2-CD1 3.28Å; L18-I109 HydrophobicContact CG-CD1 3.91Å; M53-I109 HydrophobicContact CB-CG2 4.29Å; M53-I109 HydrophobicContact CG-CG2 4.41Å; M53-I109 HydrophobicContact SD-CG2 3.94Å; T54-I109 WeakPolarHBondContact O-CA 3.44Å; V55-I109 HydrophobicContact CG2-CG1 4.43Å; L107-I109 HydrophobicContact CD2-CG1 4.2Å; I109-I121 HydrophobicContact CG2-CD1 4.19Å; I109-I121 PolarHBondContact O-N 3.06Å; I109-F122 PolarHBondContact N-O 3.48Å; I109-F122 PolarHBondContact O-N 3.09Å
110R76.2Confident64.2Low56 Ų5667.4 Ų67.421%0.21137%0.369CS..EExtended strand (participates in β ladder)trans-119.4138.9179.2-49.8-173.2173.6148.96.3111.6M53 T54 E58 I108 F118 Q119M53-R110 CarbonylContact C-O 3.44Å; M53-R110 WeakPolarHBondContact CA-O 3.42Å; T54-R110 PolarHBondContact N-O 2.88Å; T54-R110 PolarHBondContact O-N 3.33Å; T54-R110 PolarHBondContact OG1-O 3.14Å; E58-R110 IonicContact OE1-NH2 2.6Å; E58-R110 PolarHBondContact OE1-NH2 3.02Å; I108-R110 HydrophobicContact CG2-CG 3.79Å; R110-F118 HydrophobicContact CB-CB 3.84Å; R110-F118 HydrophobicContact CB-CD1 4.25Å; R110-F118 HydrophobicContact CB-CG 4.43Å; R110-F118 HydrophobicContact CG-CB 4.38Å; R110-Q119 CarbonylContact C-O 3.59Å; R110-Q119 WeakPolarHBondContact CA-O 3.23Å
111K74.9Confident65.1Low45 Ų4562 Ų6220%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-84.4141169-162.3176.3174.8165.60109.7T46 V47 D51 S113 F118 Q119 I121T46-K111 PolarHBondContact O-NZ 3.37Å; V47-K111 HydrophobicContact CG1-CD 4.23Å; V47-K111 HydrophobicContact CG1-CG 4.46Å; V47-K111 HydrophobicContact CG2-CD 4.21Å; D51-K111 WeakPolarHBondContact OD2-CE 3.36Å; D51-K111 IonicContact OD2-NZ 3.73Å; D51-K111 PolarHBondContact OD2-NZ 3.43Å; K111-S113 PolarHBondContact O-N 3.39Å; K111-F118 CarbonylContact O-C 3.52Å; K111-F118 VanDerWaalsContact O-CA 3.32Å; K111-F118 WeakPolarHBondContact O-CA 3.5Å; K111-Q119 PolarHBondContact N-O 3.33Å; K111-Q119 PolarHBondContact O-N 2.77Å; K111-I121 HydrophobicContact CB-CD1 3.66Å; K111-I121 HydrophobicContact CB-CG1 3.84Å; K111-I121 HydrophobicContact CG-CD1 4.42Å
112H65.4Low65.9Low97 Ų9759.7 Ų59.745%0.44933%0.329SS..EExtended strand (participates in β ladder)trans-75.4113.5164.7-168.6-81.9000109.5F118H112-F118 HydrophobicContact CB-CD1 4.46Å; H112-F118 HydrophobicContact CB-CE1 4.15Å; H112-F118 AromaticContact CD2-CE1 3.74Å; H112-F118 AromaticContact CD2-CZ 3.86Å
113S60.9Low66.7Low38 Ų3860.2 Ų60.227%0.26632%0.324SS..  trans-87.6156.4172-175.80000110.7K111 N115 S116 I117K111-S113 PolarHBondContact O-N 3.39Å; S113-N115 PolarHBondContact O-N 3.05Å; S113-S116 PolarHBondContact O-N 3.39Å; S113-I117 VanDerWaalsContact CB-O 3.22Å; S113-I117 WeakPolarHBondContact CB-O 3.4Å; S113-I117 PolarHBondContact N-O 2.66Å; S113-I117 VanDerWaalsContact N-O 3.12Å
114S59.2Low67.3Low111 Ų11157.5 Ų57.578%0.77631%0.307SS*.THydrogen-bonded Turntrans-52.5-28.6178.552.60000113.2S116S114-S116 PolarHBondContact O-N 3.46Å
115N57.8Low67.7Low111 Ų11163.8 Ų63.859%0.59433%0.334SS*.THydrogen-bonded Turntrans-85.119-174.7-63.61.4000113.6S113 I117S113-N115 PolarHBondContact O-N 3.05Å; N115-I117 HydrophobicContact CB-CD1 4.39Å; N115-I117 PolarHBondContact O-N 2.97Å
116S56.7Low67.4Low100 Ų10063.1 Ų63.170%0.69933%0.327SS*.SBendtrans57.714.2-174.259.40000114.8S113 S114S113-S116 PolarHBondContact O-N 3.39Å; S114-S116 PolarHBondContact O-N 3.46Å
117I62.8Low66.8Low115 Ų11564 Ų6459%0.5933%0.334SS*.PPolyproline II helixtrans-100.2132.1174.6-61.5165.8000107.7S113 N115S113-I117 VanDerWaalsContact CB-O 3.22Å; S113-I117 WeakPolarHBondContact CB-O 3.4Å; S113-I117 PolarHBondContact N-O 2.66Å; S113-I117 VanDerWaalsContact N-O 3.12Å; N115-I117 HydrophobicContact CB-CD1 4.39Å; N115-I117 PolarHBondContact O-N 2.97Å
118F65Low65.8Low61 Ų6164.6 Ų64.627%0.26834%0.338SS..EExtended strand (participates in β ladder)trans-81.8116.5172-73.1-77000109.6T54 R110 K111 H112T54-F118 HydrophobicContact CG2-CD1 4.36Å; T54-F118 HydrophobicContact CG2-CE1 3.63Å; T54-F118 HydrophobicContact CG2-CZ 4.18Å; T54-F118 WeakPolarHBondContact OG1-CD1 3.25Å; R110-F118 HydrophobicContact CB-CB 3.84Å; R110-F118 HydrophobicContact CB-CD1 4.25Å; R110-F118 HydrophobicContact CB-CG 4.43Å; R110-F118 HydrophobicContact CG-CB 4.38Å; K111-F118 CarbonylContact O-C 3.52Å; K111-F118 VanDerWaalsContact O-CA 3.32Å; K111-F118 WeakPolarHBondContact O-CA 3.5Å; H112-F118 HydrophobicContact CB-CD1 4.46Å; H112-F118 HydrophobicContact CB-CE1 4.15Å; H112-F118 AromaticContact CD2-CE1 3.74Å; H112-F118 AromaticContact CD2-CZ 3.86Å
119Q69.9Low64.6Low127 Ų12769.7 Ų69.759%0.59337%0.365SS*.EExtended strand (participates in β ladder)trans-87.6123.6173.6-173.1174.51.200109R110 K111 I121R110-Q119 CarbonylContact C-O 3.59Å; R110-Q119 WeakPolarHBondContact CA-O 3.23Å; K111-Q119 PolarHBondContact N-O 3.33Å; K111-Q119 PolarHBondContact O-N 2.77Å; Q119-I121 PolarHBondContact O-N 3.27Å
120T67.6Low63.1Low67 Ų6772.2 Ų72.241%0.41138%0.376SS..EExtended strand (participates in β ladder)trans-66119.7173.1-59.70000109.2I108I108-T120 HydrophobicContact CG2-CG2 3.54Å
121I66.8Low61.2Low38 Ų3875 Ų7520%0.19539%0.391CS..EExtended strand (participates in β ladder)trans-84.5-46.1171.9-58.5158.5000108.6F43 V47 M53 I109 K111 Q119F43-I121 HydrophobicContact CD2-CG2 3.68Å; F43-I121 HydrophobicContact CE2-CG2 3.84Å; F43-I121 HydrophobicContact CG-CG2 4.22Å; F43-I121 HydrophobicContact CZ-CG2 4.5Å; V47-I121 HydrophobicContact CG2-CD1 3.71Å; V47-I121 HydrophobicContact CG2-CG1 4.46Å; M53-I121 HydrophobicContact CE-CD1 4.07Å; M53-I121 HydrophobicContact CG-CD1 4.13Å; M53-I121 HydrophobicContact SD-CD1 4.3Å; I109-I121 HydrophobicContact CG2-CD1 4.19Å; I109-I121 PolarHBondContact O-N 3.06Å; K111-I121 HydrophobicContact CB-CD1 3.66Å; K111-I121 HydrophobicContact CB-CG1 3.84Å; K111-I121 HydrophobicContact CG-CD1 4.42Å; Q119-I121 PolarHBondContact O-N 3.27Å
122F68.1Low59.2Low63 Ų6378.3 Ų78.328%0.27642%0.42SS..EExtended strand (participates in β ladder)trans-152.4151.2-171.1-158.9-101.8000113A41 I108 I109 V124A41-F122 HydrophobicContact CB-CD1 3.75Å; A41-F122 HydrophobicContact CB-CE1 3.19Å; A41-F122 HydrophobicContact CB-CE2 4.05Å; A41-F122 HydrophobicContact CB-CG 4.39Å; A41-F122 HydrophobicContact CB-CZ 3.36Å; I108-F122 WeakPolarHBondContact CA-O 3.41Å; I109-F122 PolarHBondContact N-O 3.48Å; I109-F122 PolarHBondContact O-N 3.09Å; F122-V124 HydrophobicContact CD1-CG2 3.67Å; F122-V124 HydrophobicContact CE1-CB 4.5Å; F122-V124 HydrophobicContact CE1-CG2 3.39Å
123E70.3Confident57.6Low81 Ų8176.6 Ų76.638%0.37942%0.419SS..EExtended strand (participates in β ladder)trans-133116.7177.8179.4171.1144.600109.6K106 I108K106-E123 HydrophobicContact CB-CG 4.18Å; K106-E123 HydrophobicContact CD-CG 3.9Å; K106-E123 WeakPolarHBondContact CD-OE1 3.18Å; K106-E123 VanDerWaalsContact NZ-CD 3.28Å; K106-E123 IonicContact NZ-OE1 3.71Å; K106-E123 PolarHBondContact NZ-OE1 2.87Å; K106-E123 IonicContact NZ-OE2 2.73Å; K106-E123 PolarHBondContact NZ-OE2 3.41Å; I108-E123 HydrophobicContact CG1-CG 4.21Å
124V68.5Low56.3Low13 Ų1380.8 Ų80.88%0.07943%0.433CS..EExtended strand (participates in β ladder)trans-101.7124.5173.11780000109L18 I20 K106 L107 F122L18-V124 HydrophobicContact CD2-CG2 4.34Å; I20-V124 HydrophobicContact CD1-CB 3.9Å; I20-V124 HydrophobicContact CD1-CG1 4.02Å; I20-V124 HydrophobicContact CD1-CG2 3.69Å; K106-V124 CarbonylContact C-O 3.5Å; K106-V124 VanDerWaalsContact CA-O 3.25Å; K106-V124 WeakPolarHBondContact CA-O 3.22Å; L107-V124 PolarHBondContact N-O 3.03Å; L107-V124 PolarHBondContact O-N 3.33Å; F122-V124 HydrophobicContact CD1-CG2 3.67Å; F122-V124 HydrophobicContact CE1-CB 4.5Å; F122-V124 HydrophobicContact CE1-CG2 3.39Å
125K68.9Low55Low138 Ų13883.3 Ų83.360%0.644%0.437SS*.EExtended strand (participates in β ladder)trans-74130.6167.4-68.6-179.5-178174.40109.6D127K125-D127 PolarHBondContact O-N 3.41Å
126L62.1Low53.9Low0 Ų085 Ų850%044%0.439CS..EExtended strand (participates in β ladder)trans-91.892.9178.2-65.7173.9000109.2F3 V38 L57 F104 G105 L107 L128F3-L126 HydrophobicContact CD1-CD1 4.35Å; F3-L126 HydrophobicContact CD1-CD2 4.31Å; F3-L126 HydrophobicContact CE1-CD1 3.72Å; F3-L126 HydrophobicContact CE1-CD2 3.91Å; F3-L126 HydrophobicContact CE1-CG 4.39Å; F3-L126 HydrophobicContact CZ-CD1 4.27Å; V38-L126 HydrophobicContact CG1-CD2 3.82Å; L57-L126 HydrophobicContact CD1-CD1 3.35Å; F104-L126 WeakPolarHBondContact CB-O 3.3Å; F104-L126 PolarHBondContact N-O 3.45Å; G105-L126 PolarHBondContact O-N 2.95Å; L107-L126 HydrophobicContact CB-CD1 4.26Å; L107-L126 HydrophobicContact CB-CD2 4.36Å; L107-L126 HydrophobicContact CB-CG 4.32Å; L126-L128 PolarHBondContact O-N 3.46Å
127D59.8Low52.8Low77 Ų7792.6 Ų92.641%0.41245%0.452SS..  trans-91.493.5170-71-26.8000108.9S102 P103 K125 N129S102-D127 WeakPolarHBondContact CB-OD1 3.23Å; P103-D127 VanDerWaalsContact CA-OD1 3.24Å; P103-D127 WeakPolarHBondContact CA-OD1 3.47Å; P103-D127 VanDerWaalsContact CB-OD1 3.32Å; P103-D127 WeakPolarHBondContact CB-OD1 3.3Å; K125-D127 PolarHBondContact O-N 3.41Å; D127-N129 PolarHBondContact O-N 3.21Å
128L53.2Low51.7Low14 Ų1489.7 Ų89.77%0.07345%0.45CS..  trans-7971.6167.8-65.8172.3000108.3M1 V22 V38 F104 L126 F130M1-L128 HydrophobicContact CE-CD1 4.43Å; M1-L128 HydrophobicContact SD-CD1 4.13Å; V22-L128 HydrophobicContact CG1-CD2 4.43Å; V38-L128 HydrophobicContact CG1-CD2 4.13Å; V38-L128 HydrophobicContact CG2-CD2 4Å; F104-L128 HydrophobicContact CB-CD1 4.22Å; F104-L128 HydrophobicContact CB-CG 4.48Å; F104-L128 HydrophobicContact CD1-CD1 4Å; F104-L128 HydrophobicContact CD2-CB 3.9Å; F104-L128 HydrophobicContact CD2-CD1 4.35Å; F104-L128 HydrophobicContact CE1-CD1 4.41Å; F104-L128 HydrophobicContact CE2-CB 4.21Å; F104-L128 HydrophobicContact CG-CB 4.29Å; F104-L128 HydrophobicContact CG-CD1 3.94Å; F104-L128 HydrophobicContact CG-CG 4.43Å; L126-L128 PolarHBondContact O-N 3.46Å; L128-F130 HydrophobicContact CB-CD2 3.92Å; L128-F130 HydrophobicContact CB-CE2 3.65Å; L128-F130 HydrophobicContact CD1-CE2 4Å; L128-F130 HydrophobicContact CD2-CE2 4.47Å; L128-F130 HydrophobicContact CG-CE2 4.26Å; L128-F130 WeakPolarHBondContact O-CD2 3.2Å; L128-F130 PolarHBondContact O-N 2.93Å
129N48.1Very low50.8Low108 Ų10888.9 Ų88.958%0.57845%0.452SS*.  trans-6688.3163.8-83.1-5000107.5D127 E131D127-N129 PolarHBondContact O-N 3.21Å; N129-E131 PolarHBondContact O-N 3Å
130F43.2Very low50Low57 Ų5785.8 Ų85.825%0.2545%0.445CS..  trans-74.275161.6-72.3-80000106.8M1 L99 L128 S132M1-F130 HydrophobicContact CE-CE2 4.02Å; M1-F130 HydrophobicContact CE-CZ 3.59Å; L99-F130 HydrophobicContact CD2-CB 3.41Å; L99-F130 VanDerWaalsContact CD2-CB 3.41Å; L99-F130 HydrophobicContact CD2-CD2 3.8Å; L99-F130 HydrophobicContact CD2-CG 3.77Å; L128-F130 HydrophobicContact CB-CD2 3.92Å; L128-F130 HydrophobicContact CB-CE2 3.65Å; L128-F130 HydrophobicContact CD1-CE2 4Å; L128-F130 HydrophobicContact CD2-CE2 4.47Å; L128-F130 HydrophobicContact CG-CE2 4.26Å; L128-F130 WeakPolarHBondContact O-CD2 3.2Å; L128-F130 PolarHBondContact O-N 2.93Å; F130-S132 PolarHBondContact O-N 3.43Å
131E35.3Very low49.6Very low113 Ų11384.3 Ų84.353%0.52843%0.432SS..  trans-55113.9164.9-80.2-166.6178.100107.9N129 S133 F134N129-E131 PolarHBondContact O-N 3Å; E131-S133 WeakPolarHBondContact CB-OG 3.38Å; E131-S133 PolarHBondContact O-N 3.08Å; E131-S133 VanDerWaalsContact O-N 3.12Å; E131-S133 PolarHBondContact OE2-OG 3.02Å; E131-F134 HydrophobicContact CB-CD2 4.11Å; E131-F134 PolarHBondContact O-N 2.85Å; E131-F134 VanDerWaalsContact OE2-CE2 3.29Å; E131-F134 WeakPolarHBondContact OE2-CE2 3.49Å
132S34.4Very low49.5Very low116 Ų11686.3 Ų86.381%0.81145%0.446SS*.G310 helixtrans-63-13.517951.60000112.4F130 F134F130-S132 PolarHBondContact O-N 3.43Å; S132-F134 PolarHBondContact O-N 3.04Å
133S30.5Very low49.5Very low61 Ų6186.3 Ų86.343%0.42745%0.451SS..G310 helixtrans-67.9-14.6178.554.30000114.4E131E131-S133 WeakPolarHBondContact CB-OG 3.38Å; E131-S133 PolarHBondContact O-N 3.08Å; E131-S133 VanDerWaalsContact O-N 3.12Å; E131-S133 PolarHBondContact OE2-OG 3.02Å
134F33.4Very low49.3Very low125 Ų12587.7 Ų87.755%0.54846%0.457SS..G310 helixtrans-100.620.5-171.4-81.1-80.3000116.4E131 S132 K136E131-F134 HydrophobicContact CB-CD2 4.11Å; E131-F134 PolarHBondContact O-N 2.85Å; E131-F134 VanDerWaalsContact OE2-CE2 3.29Å; E131-F134 WeakPolarHBondContact OE2-CE2 3.49Å; S132-F134 PolarHBondContact O-N 3.04Å; F134-K136 PolarHBondContact O-N 3.26Å; F134-K136 VanDerWaalsContact O-N 3.15Å
135L33.1Very low49.3Very low164 Ų16488.5 Ų88.586%0.85946%0.464SS*.G310 helixtrans-64.7-1.5154.4-83.7162.5000112.5R137L135-R137 PolarHBondContact O-N 3.39Å
136K34.1Very low49.5Very low146 Ų14682 Ų8264%0.63544%0.435SS*.SBendtrans-64.6124163.6-70.7179.6178.9178.60109.7F134 G138F134-K136 PolarHBondContact O-N 3.26Å; F134-K136 VanDerWaalsContact O-N 3.15Å; K136-G138 PolarHBondContact O-N 3.27Å
137R33.9Very low50Low260 Ų26084.4 Ų84.498%0.98145%0.445SS*.SBendtrans-58.616.2-174.3-67.5-179.9-179.3174-0.2117.1L135L135-R137 PolarHBondContact O-N 3.39Å
138G38.7Very low50.4Low54 Ų5484 Ų8456%0.55744%0.442SS*.  trans-78129.8175.300000110.7K136 S140K136-G138 PolarHBondContact O-N 3.27Å; G138-S140 PolarHBondContact O-N 2.94Å
139S47.5Very low51.2Low44 Ų4484.6 Ų84.631%0.30845%0.446SS..  trans-59129164.851.60000109.2W141S139-W141 PolarHBondContact O-N 3.32Å
140S52.3Low52.3Low62 Ų6279.4 Ų79.443%0.43442%0.418SS..SBendtrans-68.67.2175.358.50000114.2I34 G138I34-S140 WeakPolarHBondContact CG2-OG 3.45Å; G138-S140 PolarHBondContact O-N 2.94Å
141W58.9Low53.5Low36 Ų3677.4 Ų77.414%0.13641%0.411CS..  trans-83.6119.2178-66.8105.9000108.9W35 S139 L146 L149 L221 A225W35-W141 HydrophobicContact CB-CH2 4.29Å; W35-W141 HydrophobicContact CB-CZ2 3.95Å; S139-W141 PolarHBondContact O-N 3.32Å; W141-L146 HydrophobicContact CB-CD1 4.06Å; W141-L146 HydrophobicContact CB-CD2 4.22Å; W141-L146 HydrophobicContact CB-CG 3.99Å; W141-L146 HydrophobicContact CD2-CD2 3.86Å; W141-L146 HydrophobicContact CD2-CG 4.42Å; W141-L146 HydrophobicContact CE3-CD2 3.69Å; W141-L146 HydrophobicContact CE3-CG 4.13Å; W141-L146 HydrophobicContact CG-CD2 4.09Å; W141-L146 HydrophobicContact CG-CG 4.39Å; W141-L146 HydrophobicContact CZ3-CD2 4.35Å; W141-L149 HydrophobicContact CH2-CD1 3.54Å; W141-L149 HydrophobicContact CZ3-CD1 3.65Å; W141-L221 HydrophobicContact CB-CB 4.24Å; W141-L221 WeakPolarHBondContact O-CD1 3.14Å; W141-A225 HydrophobicContact CD2-CB 3.94Å; W141-A225 VanDerWaalsContact CE2-CB 3.41Å; W141-A225 HydrophobicContact CG-CB 4.19Å; W141-A225 HydrophobicContact CZ2-CB 3.76Å; W141-A225 VanDerWaalsContact NE1-CB 3.33Å
142T65.1Low54.9Low81 Ų8174 Ų7450%0.49740%0.396SS..  trans-84.3157.9163.761.50000109.4E144 S145 L146T142-E144 PolarHBondContact O-N 3.15Å; T142-S145 PolarHBondContact N-OG 3.4Å; T142-S145 PolarHBondContact O-N 3.19Å; T142-S145 PolarHBondContact O-OG 2.83Å; T142-S145 WeakPolarHBondContact OG1-CB 3.4Å; T142-S145 PolarHBondContact OG1-N 3.47Å; T142-S145 VanDerWaalsContact OG1-N 3.1Å; T142-S145 PolarHBondContact OG1-OG 3.03Å; T142-L146 PolarHBondContact O-N 3.5Å; T142-L146 VanDerWaalsContact O-N 3.15Å
143V67.6Low56.4Low63 Ų6370.1 Ų70.138%0.38236%0.364SS..Hα-helixtrans-53.9-40.1173.6178.10000110.7L146 Y147 F207 L211V143-L146 PolarHBondContact O-N 3.4Å; V143-Y147 WeakPolarHBondContact O-CB 3.35Å; V143-Y147 PolarHBondContact O-N 2.93Å; V143-F207 HydrophobicContact CG1-CE1 4.03Å; V143-L211 HydrophobicContact CB-CD2 4.32Å; V143-L211 HydrophobicContact CG1-CD2 3.81Å; V143-L211 HydrophobicContact CG2-CD2 3.91Å
144E66.8Low58Low110 Ų11067.4 Ų67.451%0.51435%0.346SS..Hα-helixtrans-64.3-47.9178.1-165.4154.6-124.100112.3T142 L146 Y147 D148 R204T142-E144 PolarHBondContact O-N 3.15Å; E144-L146 PolarHBondContact O-N 2.86Å; E144-Y147 WeakPolarHBondContact O-CB 3.25Å; E144-Y147 PolarHBondContact O-N 3.47Å; E144-D148 VanDerWaalsContact O-CG 3.27Å; E144-D148 PolarHBondContact O-N 3.09Å; E144-R204 IonicContact OE1-NH2 3.6Å; E144-R204 PolarHBondContact OE1-NH2 3.21Å; E144-R204 VanDerWaalsContact OE1-NH2 3.16Å
145S67.8Low59.6Low30 Ų3062.2 Ų62.221%0.2132%0.323CS..Hα-helixtrans-61.6-31.5177.865.60000113.8T142 L149T142-S145 PolarHBondContact N-OG 3.4Å; T142-S145 PolarHBondContact O-N 3.19Å; T142-S145 PolarHBondContact O-OG 2.83Å; T142-S145 WeakPolarHBondContact OG1-CB 3.4Å; T142-S145 PolarHBondContact OG1-N 3.47Å; T142-S145 VanDerWaalsContact OG1-N 3.1Å; T142-S145 PolarHBondContact OG1-OG 3.03Å; S145-L149 VanDerWaalsContact O-CB 3.28Å; S145-L149 WeakPolarHBondContact O-CB 3.48Å; S145-L149 PolarHBondContact O-N 3.47Å
146L72.9Confident61Low0 Ų054.8 Ų54.80%028%0.283CS..Hα-helixtrans-78.2-35.2175.3-70.3172.3000112.1W141 T142 V143 E144 L149 A150 F207 L221 V224 A225W141-L146 HydrophobicContact CB-CD1 4.06Å; W141-L146 HydrophobicContact CB-CD2 4.22Å; W141-L146 HydrophobicContact CB-CG 3.99Å; W141-L146 HydrophobicContact CD2-CD2 3.86Å; W141-L146 HydrophobicContact CD2-CG 4.42Å; W141-L146 HydrophobicContact CE3-CD2 3.69Å; W141-L146 HydrophobicContact CE3-CG 4.13Å; W141-L146 HydrophobicContact CG-CD2 4.09Å; W141-L146 HydrophobicContact CG-CG 4.39Å; W141-L146 HydrophobicContact CZ3-CD2 4.35Å; T142-L146 PolarHBondContact O-N 3.5Å; T142-L146 VanDerWaalsContact O-N 3.15Å; V143-L146 PolarHBondContact O-N 3.4Å; E144-L146 PolarHBondContact O-N 2.86Å; L146-L149 PolarHBondContact O-N 3.24Å; L146-A150 VanDerWaalsContact O-CB 3.29Å; L146-A150 WeakPolarHBondContact O-CB 3.23Å; L146-A150 PolarHBondContact O-N 3.44Å; L146-F207 HydrophobicContact CB-CE1 4.47Å; L146-F207 HydrophobicContact CB-CZ 3.71Å; L146-L221 HydrophobicContact CD1-CB 3.85Å; L146-L221 HydrophobicContact CD1-CD2 3.82Å; L146-L221 HydrophobicContact CD1-CG 4.31Å; L146-V224 HydrophobicContact CD1-CB 4.25Å; L146-V224 HydrophobicContact CD1-CG1 4.33Å; L146-V224 HydrophobicContact CD2-CG1 4.38Å; L146-A225 HydrophobicContact CD2-CB 3.84Å
147Y74.1Confident62.1Low51 Ų5152.1 Ų52.120%0.227%0.273CS..Hα-helixtrans-61.1-47171.9173.4-98.9000110.7V143 E144 L149 A150 S151 L156 R204 F207V143-Y147 WeakPolarHBondContact O-CB 3.35Å; V143-Y147 PolarHBondContact O-N 2.93Å; E144-Y147 WeakPolarHBondContact O-CB 3.25Å; E144-Y147 PolarHBondContact O-N 3.47Å; Y147-L149 VanDerWaalsContact C-N 3.28Å; Y147-L149 PolarHBondContact O-N 3.32Å; Y147-A150 PolarHBondContact O-N 3.39Å; Y147-S151 VanDerWaalsContact O-CB 3.25Å; Y147-S151 WeakPolarHBondContact O-CB 3.36Å; Y147-S151 PolarHBondContact O-N 3.13Å; Y147-S151 PolarHBondContact O-OG 3.35Å; Y147-L156 HydrophobicContact CD2-CD1 3.61Å; Y147-L156 HydrophobicContact CE2-CD1 3.59Å; Y147-R204 HydrophobicContact CD2-CB 4.49Å; Y147-R204 HydrophobicContact CD2-CG 4.33Å; Y147-R204 VanDerWaalsContact CE2-CA 3.41Å; Y147-R204 HydrophobicContact CE2-CB 3.81Å; Y147-R204 HydrophobicContact CE2-CG 4.09Å; Y147-F207 HydrophobicContact CD2-CB 3.8Å; Y147-F207 AromaticContact CD2-CD1 3.81Å; Y147-F207 HydrophobicContact CD2-CD1 3.81Å; Y147-F207 HydrophobicContact CD2-CD2 4.46Å; Y147-F207 AromaticContact CD2-CG 3.76Å; Y147-F207 HydrophobicContact CD2-CG 3.76Å; Y147-F207 HydrophobicContact CE2-CB 4.28Å; Y147-F207 HydrophobicContact CG-CD1 4.3Å
148D68Low63.2Low68 Ų6841.4 Ų41.436%0.36424%0.238SC..Hα-helixtrans-60.8-40.8177.6-63.8-21.4000111E144 S151 L152E144-D148 VanDerWaalsContact O-CG 3.27Å; E144-D148 PolarHBondContact O-N 3.09Å; D148-S151 PolarHBondContact O-N 3.4Å; D148-L152 VanDerWaalsContact O-CB 3.27Å; D148-L152 WeakPolarHBondContact O-CB 3.36Å; D148-L152 PolarHBondContact O-N 3.35Å
149L68.5Low64.1Low27 Ų2742.6 Ų42.614%0.14124%0.236CC..Hα-helixtrans-71.9-39.7-179.7-167.4145.9000112.4W141 S145 L146 Y147 S151 L152 Y153 L228W141-L149 HydrophobicContact CH2-CD1 3.54Å; W141-L149 HydrophobicContact CZ3-CD1 3.65Å; S145-L149 VanDerWaalsContact O-CB 3.28Å; S145-L149 WeakPolarHBondContact O-CB 3.48Å; S145-L149 PolarHBondContact O-N 3.47Å; L146-L149 PolarHBondContact O-N 3.24Å; Y147-L149 VanDerWaalsContact C-N 3.28Å; Y147-L149 PolarHBondContact O-N 3.32Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-L152 PolarHBondContact O-N 2.83Å; L149-Y153 HydrophobicContact CD2-CD2 3.67Å; L149-Y153 HydrophobicContact CD2-CE2 3.29Å; L149-Y153 HydrophobicContact CG-CD2 4.4Å; L149-Y153 HydrophobicContact CG-CE2 4.01Å; L149-Y153 VanDerWaalsContact O-CD2 3.28Å; L149-Y153 WeakPolarHBondContact O-CD2 3.37Å; L149-Y153 PolarHBondContact O-N 2.86Å; L149-L228 HydrophobicContact CD2-CB 3.54Å; L149-L228 HydrophobicContact CD2-CD1 3.5Å; L149-L228 VanDerWaalsContact CD2-CD1 3.5Å; L149-L228 HydrophobicContact CD2-CG 4.08Å
150A72.5Confident64.7Low0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-66.3-36.9172.500000111.8L146 Y147 G154 Y155 L156 F207 L228L146-A150 VanDerWaalsContact O-CB 3.29Å; L146-A150 WeakPolarHBondContact O-CB 3.23Å; L146-A150 PolarHBondContact O-N 3.44Å; Y147-A150 PolarHBondContact O-N 3.39Å; A150-G154 PolarHBondContact O-N 3.32Å; A150-Y155 PolarHBondContact O-N 2.91Å; A150-Y155 VanDerWaalsContact O-N 3.13Å; A150-L156 HydrophobicContact CB-CD1 3.86Å; A150-L156 HydrophobicContact CB-CG 4.38Å; A150-F207 HydrophobicContact CB-CD2 4.19Å; A150-F207 HydrophobicContact CB-CE2 3.92Å; A150-L228 HydrophobicContact CB-CD1 4.11Å; A150-L228 HydrophobicContact CB-CD2 4.31Å
151S69.1Low65.5Low14 Ų1445.6 Ų45.610%0.09824%0.235CC..Hα-helixtrans-67.6-43.2173.7-610000111.4Y147 D148 L149 Y153 G154 H157Y147-S151 VanDerWaalsContact O-CB 3.25Å; Y147-S151 WeakPolarHBondContact O-CB 3.36Å; Y147-S151 PolarHBondContact O-N 3.13Å; Y147-S151 PolarHBondContact O-OG 3.35Å; D148-S151 PolarHBondContact O-N 3.4Å; L149-S151 VanDerWaalsContact C-N 3.33Å; S151-Y153 VanDerWaalsContact C-N 3.29Å; S151-Y153 PolarHBondContact O-N 3.45Å; S151-G154 WeakPolarHBondContact O-CA 3.24Å; S151-G154 PolarHBondContact O-N 3.28Å; S151-H157 PolarHBondContact O-NE2 3.01Å; S151-H157 VanDerWaalsContact O-NE2 3.13Å
152L63.5Low66.2Low42 Ų4244 Ų4422%0.2223%0.228CC..Hα-helixtrans-61-35.2175.2-98.1153.7000113.2R8 S84 D148 L149R8-L152 HydrophobicContact CB-CD2 3.85Å; R8-L152 HydrophobicContact CG-CD2 4.41Å; S84-L152 PolarHBondContact OG-O 3.44Å; D148-L152 VanDerWaalsContact O-CB 3.27Å; D148-L152 WeakPolarHBondContact O-CB 3.36Å; D148-L152 PolarHBondContact O-N 3.35Å; L149-L152 PolarHBondContact O-N 2.83Å
153Y65.8Low66.7Low34 Ų3442.3 Ų42.313%0.13322%0.215CC..THydrogen-bonded Turntrans-81.6-1172.1-68.5-41.5000113.2L149 S151 Y155 L228 S232 I238L149-Y153 HydrophobicContact CD2-CD2 3.67Å; L149-Y153 HydrophobicContact CD2-CE2 3.29Å; L149-Y153 HydrophobicContact CG-CD2 4.4Å; L149-Y153 HydrophobicContact CG-CE2 4.01Å; L149-Y153 VanDerWaalsContact O-CD2 3.28Å; L149-Y153 WeakPolarHBondContact O-CD2 3.37Å; L149-Y153 PolarHBondContact O-N 2.86Å; S151-Y153 VanDerWaalsContact C-N 3.29Å; S151-Y153 PolarHBondContact O-N 3.45Å; Y153-Y155 HydrophobicContact CD2-CE2 4.4Å; Y153-Y155 HydrophobicContact CG-CE2 4.33Å; Y153-Y155 PolarHBondContact O-N 2.96Å; Y153-L228 HydrophobicContact CD2-CB 4.04Å; Y153-L228 HydrophobicContact CD2-CD2 4.15Å; Y153-L228 HydrophobicContact CE2-CB 3.9Å; Y153-L228 WeakPolarHBondContact CE2-O 3.49Å; Y153-S232 VanDerWaalsContact CZ-CB 3.46Å; Y153-S232 PolarHBondContact OH-OG 3.11Å; Y153-I238 WeakPolarHBondContact O-CD1 3.37Å
154G63.4Low66.9Low4 Ų443.4 Ų43.44%0.04121%0.212CC..THydrogen-bonded Turntrans74.118.9171.700000116.4A150 S151 L156 H157 R161A150-G154 PolarHBondContact O-N 3.32Å; S151-G154 WeakPolarHBondContact O-CA 3.24Å; S151-G154 PolarHBondContact O-N 3.28Å; G154-L156 VanDerWaalsContact C-N 3.26Å; G154-L156 PolarHBondContact O-N 3.43Å; G154-H157 WeakPolarHBondContact CA-CD2 3.35Å; G154-R161 WeakPolarHBondContact O-CD 3.09Å; G154-R161 PolarHBondContact O-NH1 3.48Å
155Y68.4Low67.5Low17 Ų1738.2 Ų38.27%0.06719%0.188CC..THydrogen-bonded Turntrans-71.7-20.5176.2-74.4-66000113.7A150 Y153 R161 W162 F165 L168 L228 A231A150-Y155 PolarHBondContact O-N 2.91Å; A150-Y155 VanDerWaalsContact O-N 3.13Å; Y153-Y155 HydrophobicContact CD2-CE2 4.4Å; Y153-Y155 HydrophobicContact CG-CE2 4.33Å; Y153-Y155 PolarHBondContact O-N 2.96Å; Y155-R161 CarbonylContact O-C 3.57Å; Y155-R161 VanDerWaalsContact O-CB 3.31Å; Y155-R161 WeakPolarHBondContact O-CB 3.22Å; Y155-W162 PolarHBondContact O-N 3.09Å; Y155-W162 VanDerWaalsContact O-N 3.16Å; Y155-F165 HydrophobicContact CD1-CB 4.03Å; Y155-F165 HydrophobicContact CD2-CD2 4.43Å; Y155-F165 HydrophobicContact CG-CB 4.11Å; Y155-F165 HydrophobicContact CG-CD2 4.23Å; Y155-F165 HydrophobicContact CG-CG 4.41Å; Y155-L168 HydrophobicContact CD1-CD1 4.19Å; Y155-L168 HydrophobicContact CE1-CD1 3.31Å; Y155-L168 HydrophobicContact CE2-CD1 4.31Å; Y155-L168 VanDerWaalsContact CZ-CD1 3.4Å; Y155-L168 WeakPolarHBondContact OH-CD1 3.08Å; Y155-L228 HydrophobicContact CD2-CD2 3.68Å; Y155-L228 HydrophobicContact CE2-CD2 3.71Å; Y155-A231 VanDerWaalsContact OH-CB 3.3Å; Y155-A231 WeakPolarHBondContact OH-CB 3.43Å
156L62.5Low68Low7 Ų736.8 Ų36.84%0.03718%0.178CC..THydrogen-bonded Turntrans-109.22.3-172-66174.7000113.1Y147 A150 G154 P203 F207Y147-L156 HydrophobicContact CD2-CD1 3.61Å; Y147-L156 HydrophobicContact CE2-CD1 3.59Å; A150-L156 HydrophobicContact CB-CD1 3.86Å; A150-L156 HydrophobicContact CB-CG 4.38Å; G154-L156 VanDerWaalsContact C-N 3.26Å; G154-L156 PolarHBondContact O-N 3.43Å; L156-P203 HydrophobicContact CB-CB 4.02Å; L156-P203 WeakPolarHBondContact O-CB 3.22Å; L156-P203 WeakPolarHBondContact O-CG 3.04Å; L156-F207 HydrophobicContact CD1-CB 3.95Å; L156-F207 HydrophobicContact CD1-CD2 3.88Å; L156-F207 HydrophobicContact CD1-CG 4.14Å; L156-F207 HydrophobicContact CD2-CB 4.07Å
157H56.6Low68.3Low91 Ų9142.2 Ų42.242%0.42120%0.203SC..SBendtrans-77-21.6-174.5-73.4-42.6000115.8R8 S151 G154R8-H157 PolarHBondContact NH2-CE1 3.13Å; R8-H157 VanDerWaalsContact NH2-CE1 3.25Å; S151-H157 PolarHBondContact O-NE2 3.01Å; S151-H157 VanDerWaalsContact O-NE2 3.13Å; G154-H157 WeakPolarHBondContact CA-CD2 3.35Å
158S57.7Low68.4Low34 Ų3442.6 Ų42.624%0.23821%0.209CC..SBendtrans-129.5152.1178.9700000110.8F160 R161S158-F160 PolarHBondContact O-N 2.87Å; S158-R161 PolarHBondContact O-N 2.85Å; S158-R161 VanDerWaalsContact O-N 3.12Å; S158-R161 VanDerWaalsContact OG-CB 3.27Å; S158-R161 WeakPolarHBondContact OG-CB 3.34Å; S158-R161 WeakPolarHBondContact OG-CG 3.47Å; S158-R161 PolarHBondContact OG-N 3.47Å
159P58Low68.9Low80 Ų8040 Ų4052%0.51920%0.195SC..THydrogen-bonded Turntrans-55.8-16.5176.7-22.531.6000113.6W162P159-W162 PolarHBondContact O-NE1 3.35Å
160F59.9Low69.3Low116 Ų11641.6 Ų41.651%0.50922%0.217SC..THydrogen-bonded Turntrans-107-22.1-178.5-55.7-71.5000113.6S158 W162 H163S158-F160 PolarHBondContact O-N 2.87Å; F160-W162 VanDerWaalsContact C-N 3.27Å; F160-W162 PolarHBondContact O-N 3.3Å; F160-H163 WeakPolarHBondContact O-CB 3.28Å; F160-H163 PolarHBondContact O-N 3.47Å; F160-H163 PolarHBondContact O-ND1 2.82Å
161R67.9Low69.7Low53 Ų5342.2 Ų42.220%0.222%0.22CC..Hα-helixtrans-69-23-177.5-85.5-177.1-171.4-169.61.6113.8G154 Y155 S158 H163 R164 F165 L242G154-R161 WeakPolarHBondContact O-CD 3.09Å; G154-R161 PolarHBondContact O-NH1 3.48Å; Y155-R161 CarbonylContact O-C 3.57Å; Y155-R161 VanDerWaalsContact O-CB 3.31Å; Y155-R161 WeakPolarHBondContact O-CB 3.22Å; S158-R161 PolarHBondContact O-N 2.85Å; S158-R161 VanDerWaalsContact O-N 3.12Å; S158-R161 VanDerWaalsContact OG-CB 3.27Å; S158-R161 WeakPolarHBondContact OG-CB 3.34Å; S158-R161 WeakPolarHBondContact OG-CG 3.47Å; S158-R161 PolarHBondContact OG-N 3.47Å; R161-H163 PolarHBondContact O-N 2.61Å; R161-R164 WeakPolarHBondContact O-CB 3.31Å; R161-R164 PolarHBondContact O-N 3.16Å; R161-F165 PolarHBondContact O-N 3.25Å; R161-L242 HydrophobicContact CG-CD1 3.95Å
162W74.3Confident70.1Confident1 Ų145.1 Ų45.10%0.00424%0.237CC..Hα-helixtrans-66.1-24.6175.572.7-99.6000112.5Y155 P159 F160 R164 F165 A166 I176 I179 N180 L183 M201 I206 L210Y155-W162 PolarHBondContact O-N 3.09Å; Y155-W162 VanDerWaalsContact O-N 3.16Å; P159-W162 PolarHBondContact O-NE1 3.35Å; F160-W162 VanDerWaalsContact C-N 3.27Å; F160-W162 PolarHBondContact O-N 3.3Å; W162-R164 VanDerWaalsContact C-N 3.25Å; W162-R164 PolarHBondContact O-N 3.49Å; W162-F165 CarbonylContact O-C 3.47Å; W162-F165 WeakPolarHBondContact O-CA 3.42Å; W162-F165 WeakPolarHBondContact O-CB 3.18Å; W162-F165 PolarHBondContact O-N 3.29Å; W162-F165 VanDerWaalsContact O-N 3.08Å; W162-A166 HydrophobicContact CE3-CB 4.29Å; W162-A166 HydrophobicContact CZ3-CB 4.38Å; W162-A166 PolarHBondContact O-N 3.01Å; W162-I176 HydrophobicContact CH2-CG2 3.97Å; W162-I176 HydrophobicContact CZ3-CG2 3.95Å; W162-I179 HydrophobicContact CH2-CB 4.12Å; W162-I179 HydrophobicContact CH2-CG2 3.7Å; W162-I179 HydrophobicContact CZ3-CB 4.25Å; W162-I179 HydrophobicContact CZ3-CG2 3.75Å; W162-N180 HydrophobicContact CH2-CB 4.32Å; W162-N180 HydrophobicContact CZ2-CB 4.35Å; W162-L183 HydrophobicContact CH2-CD1 4.45Å; W162-L183 HydrophobicContact CZ2-CD1 4.18Å; W162-M201 HydrophobicContact CZ2-CE 4.36Å; W162-I206 HydrophobicContact CB-CG2 3.59Å; W162-I206 HydrophobicContact CD2-CG2 3.66Å; W162-I206 HydrophobicContact CE3-CG2 4.12Å; W162-I206 HydrophobicContact CG-CD1 4.34Å; W162-I206 HydrophobicContact CG-CG2 3.44Å; W162-I206 VanDerWaalsContact CG-CG2 3.44Å; W162-L210 HydrophobicContact CB-CD1 4.33Å; W162-L210 HydrophobicContact CE3-CD1 4.02Å; W162-L210 HydrophobicContact CE3-CD2 4.23Å; W162-L210 HydrophobicContact CE3-CG 4.48Å; W162-L210 HydrophobicContact CZ3-CD2 4.33Å
163H75.9Confident70.6Confident47 Ų4747.7 Ų47.722%0.21826%0.259CS..Hα-helixtrans-59.3-42.5174.7-67.366.9000110.1F160 R161 F165 A166 E167 I176F160-H163 WeakPolarHBondContact O-CB 3.28Å; F160-H163 PolarHBondContact O-N 3.47Å; F160-H163 PolarHBondContact O-ND1 2.82Å; R161-H163 PolarHBondContact O-N 2.61Å; H163-F165 VanDerWaalsContact C-N 3.33Å; H163-F165 PolarHBondContact O-N 2.81Å; H163-A166 WeakPolarHBondContact O-CB 3.38Å; H163-A166 PolarHBondContact O-N 3.41Å; H163-A166 VanDerWaalsContact O-N 3.15Å; H163-E167 WeakPolarHBondContact O-CG 3.5Å; H163-E167 PolarHBondContact O-N 2.82Å; H163-I176 HydrophobicContact CB-CG2 4.37Å; H163-I176 WeakPolarHBondContact CD2-CG2 3.22Å
164R71.2Confident71Confident85 Ų8554.3 Ų54.332%0.32129%0.288SS..Hα-helixtrans-67.8-33.3176.1-166.6170.2-178.1159.3-3.5112.7R161 W162 A166 L168R161-R164 WeakPolarHBondContact O-CB 3.31Å; R161-R164 PolarHBondContact O-N 3.16Å; W162-R164 VanDerWaalsContact C-N 3.25Å; W162-R164 PolarHBondContact O-N 3.49Å; R164-A166 VanDerWaalsContact C-N 3.34Å; R164-L168 WeakPolarHBondContact O-CB 3.25Å; R164-L168 VanDerWaalsContact O-CG 3.29Å; R164-L168 WeakPolarHBondContact O-CG 3.49Å; R164-L168 PolarHBondContact O-N 3.37Å
165F79.1Confident71.7Confident2 Ų256 Ų561%0.00930%0.295CS..Hα-helixtrans-67.2-38.4171.8-176.6-126.5000111.6Y155 R161 W162 H163 L168 L169 F207 L210 V224 L228Y155-F165 HydrophobicContact CD1-CB 4.03Å; Y155-F165 HydrophobicContact CD2-CD2 4.43Å; Y155-F165 HydrophobicContact CG-CB 4.11Å; Y155-F165 HydrophobicContact CG-CD2 4.23Å; Y155-F165 HydrophobicContact CG-CG 4.41Å; R161-F165 PolarHBondContact O-N 3.25Å; W162-F165 CarbonylContact O-C 3.47Å; W162-F165 WeakPolarHBondContact O-CA 3.42Å; W162-F165 WeakPolarHBondContact O-CB 3.18Å; W162-F165 PolarHBondContact O-N 3.29Å; W162-F165 VanDerWaalsContact O-N 3.08Å; H163-F165 VanDerWaalsContact C-N 3.33Å; H163-F165 PolarHBondContact O-N 2.81Å; F165-L168 WeakPolarHBondContact O-CB 3.33Å; F165-L168 PolarHBondContact O-N 3.44Å; F165-L169 HydrophobicContact CD1-CD1 4.24Å; F165-L169 HydrophobicContact CE1-CD1 3.79Å; F165-L169 HydrophobicContact CE2-CD1 4.28Å; F165-L169 HydrophobicContact CE2-CD2 4.36Å; F165-L169 HydrophobicContact CE2-CG 4.2Å; F165-L169 HydrophobicContact CZ-CD1 3.81Å; F165-L169 HydrophobicContact CZ-CD2 4.32Å; F165-L169 HydrophobicContact CZ-CG 4.19Å; F165-L169 WeakPolarHBondContact O-CG 3.28Å; F165-L169 PolarHBondContact O-N 3.29Å; F165-F207 AromaticContact CE1-CD2 3.66Å; F165-F207 HydrophobicContact CE1-CD2 3.66Å; F165-F207 AromaticContact CE1-CE2 3.76Å; F165-F207 HydrophobicContact CE1-CE2 3.76Å; F165-F207 HydrophobicContact CZ-CD2 4.24Å; F165-F207 AromaticContact CZ-CE2 3.87Å; F165-F207 HydrophobicContact CZ-CE2 3.87Å; F165-L210 HydrophobicContact CD1-CD1 3.73Å; F165-L210 HydrophobicContact CE1-CD1 4.32Å; F165-V224 HydrophobicContact CZ-CG1 4.09Å; F165-L228 HydrophobicContact CD2-CD2 3.89Å; F165-L228 HydrophobicContact CE2-CD1 4.24Å; F165-L228 HydrophobicContact CE2-CD2 3.46Å; F165-L228 VanDerWaalsContact CE2-CD2 3.46Å; F165-L228 HydrophobicContact CE2-CG 3.94Å; F165-L228 HydrophobicContact CZ-CD2 4.44Å
166A79Confident72.1Confident0 Ų055.7 Ų55.70%029%0.294CS..Hα-helixtrans-63.8-45.617400000111.4W162 H163 R164 L168 L169 G170 F171 I176 L210W162-A166 HydrophobicContact CE3-CB 4.29Å; W162-A166 HydrophobicContact CZ3-CB 4.38Å; W162-A166 PolarHBondContact O-N 3.01Å; H163-A166 WeakPolarHBondContact O-CB 3.38Å; H163-A166 PolarHBondContact O-N 3.41Å; H163-A166 VanDerWaalsContact O-N 3.15Å; R164-A166 VanDerWaalsContact C-N 3.34Å; A166-L168 VanDerWaalsContact C-N 3.29Å; A166-L168 PolarHBondContact O-N 3.18Å; A166-L169 PolarHBondContact O-N 3Å; A166-L169 VanDerWaalsContact O-N 3.11Å; A166-G170 PolarHBondContact O-N 3.39Å; A166-F171 HydrophobicContact CB-CB 4.2Å; A166-F171 HydrophobicContact CB-CD2 3.84Å; A166-F171 HydrophobicContact CB-CG 4.39Å; A166-F171 WeakPolarHBondContact O-CB 3.37Å; A166-F171 VanDerWaalsContact O-CD2 3.26Å; A166-F171 WeakPolarHBondContact O-CD2 3.41Å; A166-F171 PolarHBondContact O-N 2.93Å; A166-I176 HydrophobicContact CB-CD1 3.96Å; A166-I176 HydrophobicContact CB-CG1 3.79Å; A166-L210 HydrophobicContact CB-CD2 3.55Å
167E78.3Confident72.6Confident114 Ų11460.4 Ų60.453%0.53332%0.316SS..Hα-helixtrans-58.2-40.5173.5-71.1173.6175.700112.1H163 L169 G170 I176H163-E167 WeakPolarHBondContact O-CG 3.5Å; H163-E167 PolarHBondContact O-N 2.82Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.24Å; E167-G170 WeakPolarHBondContact O-CA 3.45Å; E167-G170 PolarHBondContact O-N 3.35Å; E167-I176 HydrophobicContact CG-CD1 3.71Å
168L77Confident73.5Confident59 Ų5961.1 Ų61.131%0.30932%0.319SS..Hα-helixtrans-64.5-34.3176.1-79.9169.1000113.1Y155 R164 F165 A166 G170 I227 A231Y155-L168 HydrophobicContact CD1-CD1 4.19Å; Y155-L168 HydrophobicContact CE1-CD1 3.31Å; Y155-L168 HydrophobicContact CE2-CD1 4.31Å; Y155-L168 VanDerWaalsContact CZ-CD1 3.4Å; Y155-L168 WeakPolarHBondContact OH-CD1 3.08Å; R164-L168 WeakPolarHBondContact O-CB 3.25Å; R164-L168 VanDerWaalsContact O-CG 3.29Å; R164-L168 WeakPolarHBondContact O-CG 3.49Å; R164-L168 PolarHBondContact O-N 3.37Å; F165-L168 WeakPolarHBondContact O-CB 3.33Å; F165-L168 PolarHBondContact O-N 3.44Å; A166-L168 VanDerWaalsContact C-N 3.29Å; A166-L168 PolarHBondContact O-N 3.18Å; L168-G170 PolarHBondContact O-N 3.33Å; L168-I227 HydrophobicContact CB-CG2 3.96Å; L168-I227 VanDerWaalsContact O-CG2 3.3Å; L168-I227 WeakPolarHBondContact O-CG2 3.21Å; L168-A231 HydrophobicContact CD1-CB 3.9Å; L168-A231 HydrophobicContact CD2-CB 3.94Å
169L78.3Confident74.4Confident14 Ų1459.6 Ų59.67%0.07331%0.309CS..Hα-helixtrans-73.2-10173.1-69.1174.3000112.6F165 A166 E167 F171 L210 F214 V224 I227F165-L169 HydrophobicContact CD1-CD1 4.24Å; F165-L169 HydrophobicContact CE1-CD1 3.79Å; F165-L169 HydrophobicContact CE2-CD1 4.28Å; F165-L169 HydrophobicContact CE2-CD2 4.36Å; F165-L169 HydrophobicContact CE2-CG 4.2Å; F165-L169 HydrophobicContact CZ-CD1 3.81Å; F165-L169 HydrophobicContact CZ-CD2 4.32Å; F165-L169 HydrophobicContact CZ-CG 4.19Å; F165-L169 WeakPolarHBondContact O-CG 3.28Å; F165-L169 PolarHBondContact O-N 3.29Å; A166-L169 PolarHBondContact O-N 3Å; A166-L169 VanDerWaalsContact O-N 3.11Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.24Å; L169-F171 HydrophobicContact CB-CD2 3.8Å; L169-F171 HydrophobicContact CB-CE2 3.77Å; L169-F171 HydrophobicContact CD1-CD2 4.45Å; L169-F171 HydrophobicContact CD1-CE2 3.83Å; L169-F171 HydrophobicContact CG-CE2 4.48Å; L169-L210 HydrophobicContact CD1-CB 4.38Å; L169-F214 HydrophobicContact CB-CD2 4Å; L169-F214 HydrophobicContact CB-CE2 4.3Å; L169-F214 HydrophobicContact CD2-CD2 4.18Å; L169-F214 HydrophobicContact CD2-CE2 4.2Å; L169-F214 HydrophobicContact CD2-CG 4.35Å; L169-F214 HydrophobicContact CD2-CZ 4.37Å; L169-F214 WeakPolarHBondContact O-CE2 3.36Å; L169-V224 HydrophobicContact CD2-CB 4.48Å; L169-V224 HydrophobicContact CD2-CG1 4.27Å; L169-V224 HydrophobicContact CD2-CG2 3.98Å; L169-I227 HydrophobicContact CD2-CD1 4.09Å
170G75.9Confident75.2Confident59 Ų5957.8 Ų57.861%0.60829%0.294SS*.THydrogen-bonded Turntrans93.415179.100000114.4A166 E167 L168A166-G170 PolarHBondContact O-N 3.39Å; E167-G170 WeakPolarHBondContact O-CA 3.45Å; E167-G170 PolarHBondContact O-N 3.35Å; L168-G170 PolarHBondContact O-N 3.33Å
171F81.2Confident75.7Confident14 Ų1456.5 Ų56.56%0.06129%0.29CS..  trans-69.5140.2173.8-67.9-74.1000111.1A166 L169 E175 I176 L210 K213 F214 F217A166-F171 HydrophobicContact CB-CB 4.2Å; A166-F171 HydrophobicContact CB-CD2 3.84Å; A166-F171 HydrophobicContact CB-CG 4.39Å; A166-F171 WeakPolarHBondContact O-CB 3.37Å; A166-F171 VanDerWaalsContact O-CD2 3.26Å; A166-F171 WeakPolarHBondContact O-CD2 3.41Å; A166-F171 PolarHBondContact O-N 2.93Å; L169-F171 HydrophobicContact CB-CD2 3.8Å; L169-F171 HydrophobicContact CB-CE2 3.77Å; L169-F171 HydrophobicContact CD1-CD2 4.45Å; L169-F171 HydrophobicContact CD1-CE2 3.83Å; L169-F171 HydrophobicContact CG-CE2 4.48Å; F171-E175 WeakPolarHBondContact CA-OE2 3.4Å; F171-E175 HydrophobicContact CB-CB 4.45Å; F171-E175 HydrophobicContact CD1-CB 4.24Å; F171-I176 HydrophobicContact CB-CD1 4.45Å; F171-I176 HydrophobicContact CB-CG1 3.99Å; F171-L210 HydrophobicContact CD2-CD2 4.13Å; F171-L210 HydrophobicContact CE2-CD2 3.9Å; F171-K213 HydrophobicContact CE1-CB 3.77Å; F171-K213 HydrophobicContact CZ-CB 3.77Å; F171-F214 HydrophobicContact CE2-CB 4.28Å; F171-F214 HydrophobicContact CZ-CB 3.9Å; F171-F217 HydrophobicContact CD1-CE2 4.21Å; F171-F217 AromaticContact CE1-CD2 3.8Å; F171-F217 HydrophobicContact CE1-CD2 3.8Å; F171-F217 AromaticContact CE1-CE2 3.72Å; F171-F217 HydrophobicContact CE1-CE2 3.72Å
172T77.3Confident75.8Confident74 Ų7457 Ų5745%0.45430%0.299SS..  trans-78.4157.8174.763.20000111.4K174 E175 I176T172-K174 PolarHBondContact O-N 2.62Å; T172-K174 VanDerWaalsContact O-N 3.13Å; T172-E175 PolarHBondContact N-OE2 3.22Å; T172-E175 PolarHBondContact O-N 3.21Å; T172-E175 WeakPolarHBondContact OG1-CG 3.46Å; T172-E175 PolarHBondContact OG1-N 2.82Å; T172-E175 PolarHBondContact OG1-OE2 2.92Å; T172-I176 WeakPolarHBondContact O-CG1 3.49Å; T172-I176 PolarHBondContact O-N 2.88Å
173S74.1Confident75.5Confident97 Ų9757.6 Ų57.668%0.67830%0.303SS*.Hα-helixtrans-57.6-30.1178-48.20000113.3H177S173-H177 WeakPolarHBondContact O-CB 3.47Å; S173-H177 PolarHBondContact O-N 3.32Å
174K75.7Confident74.9Confident172 Ų17258.4 Ų58.475%0.74831%0.313SS*.Hα-helixtrans-67.3-45.9174.2-68.8-174.5178.8-176.20111.9T172 I176 H177 E178T172-K174 PolarHBondContact O-N 2.62Å; T172-K174 VanDerWaalsContact O-N 3.13Å; K174-I176 VanDerWaalsContact C-N 3.33Å; K174-I176 PolarHBondContact O-N 3.47Å; K174-H177 WeakPolarHBondContact O-CB 3.36Å; K174-H177 PolarHBondContact O-N 2.87Å; K174-E178 PolarHBondContact O-N 3.13Å
175E77.6Confident74.2Confident41 Ų4160.2 Ų60.219%0.19233%0.325CS..Hα-helixtrans-66.7-36.5178.3-69.1164.1152.700112F171 T172 H177 E178 I179 F217F171-E175 WeakPolarHBondContact CA-OE2 3.4Å; F171-E175 HydrophobicContact CB-CB 4.45Å; F171-E175 HydrophobicContact CD1-CB 4.24Å; T172-E175 PolarHBondContact N-OE2 3.22Å; T172-E175 PolarHBondContact O-N 3.21Å; T172-E175 WeakPolarHBondContact OG1-CG 3.46Å; T172-E175 PolarHBondContact OG1-N 2.82Å; T172-E175 PolarHBondContact OG1-OE2 2.92Å; E175-H177 VanDerWaalsContact C-N 3.32Å; E175-E178 PolarHBondContact O-N 3.33Å; E175-I179 WeakPolarHBondContact O-CG1 3.43Å; E175-I179 PolarHBondContact O-N 3.46Å; E175-F217 WeakPolarHBondContact OE1-CZ 3.26Å
176I77.5Confident72.8Confident9 Ų963 Ų635%0.04634%0.343CS..Hα-helixtrans-62.5-42.3173.7-65.1171.6000110.1W162 H163 A166 E167 F171 T172 K174 I179 N180W162-I176 HydrophobicContact CH2-CG2 3.97Å; W162-I176 HydrophobicContact CZ3-CG2 3.95Å; H163-I176 HydrophobicContact CB-CG2 4.37Å; H163-I176 WeakPolarHBondContact CD2-CG2 3.22Å; A166-I176 HydrophobicContact CB-CD1 3.96Å; A166-I176 HydrophobicContact CB-CG1 3.79Å; E167-I176 HydrophobicContact CG-CD1 3.71Å; F171-I176 HydrophobicContact CB-CD1 4.45Å; F171-I176 HydrophobicContact CB-CG1 3.99Å; T172-I176 WeakPolarHBondContact O-CG1 3.49Å; T172-I176 PolarHBondContact O-N 2.88Å; K174-I176 VanDerWaalsContact C-N 3.33Å; K174-I176 PolarHBondContact O-N 3.47Å; I176-I179 PolarHBondContact O-N 3.24Å; I176-N180 PolarHBondContact O-N 3.19Å
177H72.3Confident71.1Confident106 Ų10668 Ų6849%0.49137%0.366SS..Hα-helixtrans-62.9-45175.3-172.858000112.1S173 K174 E175 I179 N180 E181S173-H177 WeakPolarHBondContact O-CB 3.47Å; S173-H177 PolarHBondContact O-N 3.32Å; K174-H177 WeakPolarHBondContact O-CB 3.36Å; K174-H177 PolarHBondContact O-N 2.87Å; E175-H177 VanDerWaalsContact C-N 3.32Å; H177-I179 VanDerWaalsContact C-N 3.33Å; H177-I179 PolarHBondContact O-N 3.35Å; H177-N180 WeakPolarHBondContact O-CA 3.48Å; H177-N180 WeakPolarHBondContact O-CB 3.48Å; H177-N180 PolarHBondContact O-N 3.16Å; H177-N180 VanDerWaalsContact O-N 3.1Å; H177-E181 PolarHBondContact O-N 3.25Å
178E76.3Confident69Low106 Ų10672.3 Ų72.350%0.49538%0.379SS..Hα-helixtrans-59.2-41.8174.1-71.7175.4-171.900112.3K174 E175 N180 E181 T182 K213K174-E178 PolarHBondContact O-N 3.13Å; E175-E178 PolarHBondContact O-N 3.33Å; E178-N180 VanDerWaalsContact C-N 3.28Å; E178-N180 PolarHBondContact O-N 3.24Å; E178-E181 PolarHBondContact O-N 2.58Å; E178-T182 PolarHBondContact O-N 2.96Å; E178-T182 PolarHBondContact O-OG1 2.92Å; E178-K213 IonicContact OE2-NZ 2.78Å
179I75.1Confident67Low3 Ų379.3 Ų79.32%0.01540%0.403CS..Hα-helixtrans-61-42.5175.8-68.5166.2000110W162 E175 I176 H177 T182 L183 L210 K213W162-I179 HydrophobicContact CH2-CB 4.12Å; W162-I179 HydrophobicContact CH2-CG2 3.7Å; W162-I179 HydrophobicContact CZ3-CB 4.25Å; W162-I179 HydrophobicContact CZ3-CG2 3.75Å; E175-I179 WeakPolarHBondContact O-CG1 3.43Å; E175-I179 PolarHBondContact O-N 3.46Å; I176-I179 PolarHBondContact O-N 3.24Å; H177-I179 VanDerWaalsContact C-N 3.33Å; H177-I179 PolarHBondContact O-N 3.35Å; I179-T182 PolarHBondContact O-N 3.05Å; I179-L183 HydrophobicContact CG2-CD1 3.57Å; I179-L183 HydrophobicContact CG2-CG 4.45Å; I179-L183 WeakPolarHBondContact O-CB 3.3Å; I179-L183 WeakPolarHBondContact O-CD1 3.44Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.45Å; I179-L183 PolarHBondContact O-N 3.43Å; I179-L210 HydrophobicContact CD1-CD2 3.68Å; I179-K213 HydrophobicContact CD1-CD 3.88Å; I179-K213 HydrophobicContact CG1-CD 3.64Å
180N75.1Confident64.9Low41 Ų4185.1 Ų85.122%0.21944%0.438CS..Hα-helixtrans-63.5-43.3178-151.130.4000111.1W162 I176 H177 E178 T182 L183 S184W162-N180 HydrophobicContact CH2-CB 4.32Å; W162-N180 HydrophobicContact CZ2-CB 4.35Å; I176-N180 PolarHBondContact O-N 3.19Å; H177-N180 WeakPolarHBondContact O-CA 3.48Å; H177-N180 WeakPolarHBondContact O-CB 3.48Å; H177-N180 PolarHBondContact O-N 3.16Å; H177-N180 VanDerWaalsContact O-N 3.1Å; E178-N180 VanDerWaalsContact C-N 3.28Å; E178-N180 PolarHBondContact O-N 3.24Å; N180-T182 PolarHBondContact O-N 3.27Å; N180-L183 PolarHBondContact O-N 3.01Å; N180-S184 PolarHBondContact O-N 2.96Å; N180-S184 PolarHBondContact O-OG 3.42Å; N180-S184 VanDerWaalsContact O-OG 3.13Å
181E70.2Confident63Low89 Ų8988.5 Ų88.542%0.41644%0.443SS..Hα-helixtrans-61.6-41.5172.5-70.1-149.7144.200112.4H177 E178 L183 S184 Q185H177-E181 PolarHBondContact O-N 3.25Å; E178-E181 PolarHBondContact O-N 2.58Å; E181-L183 PolarHBondContact O-N 3.23Å; E181-S184 PolarHBondContact O-N 3.41Å; E181-Q185 WeakPolarHBondContact O-CB 3.43Å; E181-Q185 VanDerWaalsContact O-CG 3.25Å; E181-Q185 WeakPolarHBondContact O-CG 3.39Å; E181-Q185 PolarHBondContact O-N 3.41Å
182T70.4Confident60.8Low65 Ų6595.6 Ų95.640%0.39948%0.481SS..Hα-helixtrans-63-35.5178.7-230000111.3E178 I179 N180 T186E178-T182 PolarHBondContact O-N 2.96Å; E178-T182 PolarHBondContact O-OG1 2.92Å; I179-T182 PolarHBondContact O-N 3.05Å; N180-T182 PolarHBondContact O-N 3.27Å; T182-T186 PolarHBondContact O-OG1 3.31Å
183L68Low58.9Low13 Ų1396.1 Ų96.17%0.06849%0.488CS..Hα-helixtrans-71.7-40.3176.6-74.1158.3000111.5W162 I179 N180 E181 T186 M201 I206 L209W162-L183 HydrophobicContact CH2-CD1 4.45Å; W162-L183 HydrophobicContact CZ2-CD1 4.18Å; I179-L183 HydrophobicContact CG2-CD1 3.57Å; I179-L183 HydrophobicContact CG2-CG 4.45Å; I179-L183 WeakPolarHBondContact O-CB 3.3Å; I179-L183 WeakPolarHBondContact O-CD1 3.44Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.45Å; I179-L183 PolarHBondContact O-N 3.43Å; N180-L183 PolarHBondContact O-N 3.01Å; E181-L183 PolarHBondContact O-N 3.23Å; L183-T186 PolarHBondContact O-OG1 3.41Å; L183-M201 HydrophobicContact CB-CE 3.44Å; L183-M201 VanDerWaalsContact CB-CE 3.44Å; L183-M201 HydrophobicContact CD1-CE 3.33Å; L183-M201 HydrophobicContact CD2-CE 4.14Å; L183-M201 HydrophobicContact CD2-CG 4.25Å; L183-M201 HydrophobicContact CG-CE 3.77Å; L183-I206 HydrophobicContact CD1-CG1 4.34Å; L183-I206 HydrophobicContact CD2-CG1 4.31Å; L183-L209 HydrophobicContact CD2-CD1 3.39Å; L183-L209 HydrophobicContact CG-CD1 4.03Å
184S64.1Low57.1Low63 Ų6398.7 Ų98.744%0.44150%0.5SS..Hα-helixtrans-72.2-39.2176.7-59.10000113.5N180 E181 T186 E187N180-S184 PolarHBondContact O-N 2.96Å; N180-S184 PolarHBondContact O-OG 3.42Å; N180-S184 VanDerWaalsContact O-OG 3.13Å; E181-S184 PolarHBondContact O-N 3.41Å; S184-T186 PolarHBondContact O-N 3.41Å; S184-E187 PolarHBondContact O-N 2.91Å
185Q56.1Low55.2Low123 Ų12397.1 Ų97.158%0.57550%0.498SS*.Hα-helixtrans-64.6-26.9-178.5-75.9174.39.100113E181 E187 Y188E181-Q185 WeakPolarHBondContact O-CB 3.43Å; E181-Q185 VanDerWaalsContact O-CG 3.25Å; E181-Q185 WeakPolarHBondContact O-CG 3.39Å; E181-Q185 PolarHBondContact O-N 3.41Å; Q185-E187 PolarHBondContact O-N 3.24Å; Q185-Y188 PolarHBondContact O-N 2.96Å
186T49.6Very low53.1Low61 Ų61100.6 Ų100.637%0.37453%0.527SS..THydrogen-bonded Turntrans-77.61.6179.224.30000114.3T182 L183 S184 N199 R205T182-T186 PolarHBondContact O-OG1 3.31Å; L183-T186 PolarHBondContact O-OG1 3.41Å; S184-T186 PolarHBondContact O-N 3.41Å; T186-N199 PolarHBondContact O-ND2 2.96Å; T186-R205 PolarHBondContact OG1-NH2 3.06Å; T186-R205 VanDerWaalsContact OG1-NH2 3.16Å
187E43.1Very low51.2Low106 Ų106107.9 Ų107.950%0.49556%0.561SS.*THydrogen-bonded Turntrans-79.9-15.7169.6-70-177.1160.100113.4S184 Q185 N199S184-E187 PolarHBondContact O-N 2.91Å; Q185-E187 PolarHBondContact O-N 3.24Å; E187-N199 HydrophobicContact CG-CB 4.21Å
188Y33.9Very low49.5Very low203 Ų203106.9 Ų106.980%0.79656%0.563SS**SBendtrans-10512.9-165.3-99.1-86.2000117.8Q185Q185-Y188 PolarHBondContact O-N 2.96Å
189Y35.1Very low48Very low206 Ų206105.7 Ų105.781%0.80856%0.561SS**  trans-13478.3179.7-84.8-88000112.7
190V35.1Very low46.7Very low136 Ų136111.8 Ų111.882%0.82459%0.593SS**  trans-152.2115.3139.7-177.40000108.2
191N34.8Very low46Very low131 Ų131112.8 Ų112.870%0.70160%0.597SS**  trans-61.2148.6174.3-66.6-24.7000113.3S193N191-S193 PolarHBondContact O-N 3.44Å
192D36.5Very low45.9Very low162 Ų162111.9 Ų111.987%0.86660%0.598SS**SBendtrans59.534.1139.5-65.3-22.1000121.8
193S36.5Very low45.8Very low85 Ų85111.3 Ų111.359%0.59460%0.595SS**  trans-145.974.3165.753.20000115.1N191 I195N191-S193 PolarHBondContact O-N 3.44Å; S193-I195 PolarHBondContact O-N 3.3Å
194T35.7Very low45.9Very low152 Ų152116.9 Ų116.993%0.93362%0.615SS**SBendtrans46.3-5.6150.347.90000122.4
195I36.5Very low46.3Very low138 Ų138117.8 Ų117.871%0.70861%0.609SS**  trans-148.375.1174.3-49.2175000105.5S193 E197S193-I195 PolarHBondContact O-N 3.3Å; I195-E197 HydrophobicContact CG2-CG 4.34Å; I195-E197 PolarHBondContact O-N 3.2Å
196S34.2Very low47.2Very low114 Ų114112.3 Ų112.380%0.79758%0.583SS**  trans-66.488163.154.20000106.5P198S196-P198 VanDerWaalsContact O-CD 3.22Å; S196-P198 WeakPolarHBondContact O-CD 3.47Å
197E35.7Very low48.8Very low162 Ų162109.4 Ų109.476%0.75757%0.565SS**  trans-56.2114158.8-82.1-173.4163.700104.9I195 N199I195-E197 HydrophobicContact CG2-CG 4.34Å; I195-E197 PolarHBondContact O-N 3.2Å; E197-N199 PolarHBondContact O-N 2.89Å
198P37.1Very low50.4Low85 Ų85107 Ų10755%0.55256%0.559SS**  trans-52.6126.4174.422.9-30.5000104.9S196 L200S196-P198 VanDerWaalsContact O-CD 3.22Å; S196-P198 WeakPolarHBondContact O-CD 3.47Å; P198-L200 HydrophobicContact CG-CD1 4.02Å; P198-L200 WeakPolarHBondContact O-CA 3.5Å; P198-L200 PolarHBondContact O-N 2.93Å
199N44.6Very low52.6Low81 Ų81100.2 Ų100.243%0.43354%0.537SS..  trans-65.176.3-168.4-141.1-7.7000108.1T186 E187 E197 M201T186-N199 PolarHBondContact O-ND2 2.96Å; E187-N199 HydrophobicContact CG-CB 4.21Å; E197-N199 PolarHBondContact O-N 2.89Å; N199-M201 PolarHBondContact O-N 3.19Å
200L49.4Very low54.9Low132 Ų13290.4 Ų90.469%0.69150%0.498SS*.  trans-63125.4-155.7-110.7127.5000107.1P198 T202P198-L200 HydrophobicContact CG-CD1 4.02Å; P198-L200 WeakPolarHBondContact O-CA 3.5Å; P198-L200 PolarHBondContact O-N 2.93Å; L200-T202 WeakPolarHBondContact O-CG2 3.39Å; L200-T202 PolarHBondContact O-N 3.08Å
201M60.5Low57.1Low61 Ų6184.3 Ų84.330%0.346%0.461SS..  trans-6283.7-175.7-153.2-155.9-153.700109.6W162 L183 N199 I206W162-M201 HydrophobicContact CZ2-CE 4.36Å; L183-M201 HydrophobicContact CB-CE 3.44Å; L183-M201 VanDerWaalsContact CB-CE 3.44Å; L183-M201 HydrophobicContact CD1-CE 3.33Å; L183-M201 HydrophobicContact CD2-CE 4.14Å; L183-M201 HydrophobicContact CD2-CG 4.25Å; L183-M201 HydrophobicContact CG-CE 3.77Å; N199-M201 PolarHBondContact O-N 3.19Å; M201-I206 HydrophobicContact CE-CD1 4.28Å; M201-I206 HydrophobicContact CG-CD1 3.83Å; M201-I206 HydrophobicContact CG-CG1 4.05Å; M201-I206 HydrophobicContact SD-CD1 3.63Å; M201-I206 HydrophobicContact SD-CG1 4.3Å
202T66.1Low59.2Low71 Ų7180.5 Ų80.544%0.43645%0.445SS..  trans-73.2138-175.156.30000110.2L200 R204 R205 I206L200-T202 WeakPolarHBondContact O-CG2 3.39Å; L200-T202 PolarHBondContact O-N 3.08Å; T202-R204 PolarHBondContact O-N 3.34Å; T202-R204 VanDerWaalsContact O-N 3.1Å; T202-R205 WeakPolarHBondContact O-CB 3.44Å; T202-R205 PolarHBondContact O-N 3.47Å; T202-R205 WeakPolarHBondContact OG1-CB 2.82Å; T202-I206 PolarHBondContact O-N 2.84Å; T202-I206 VanDerWaalsContact O-N 3.16Å
203P68.2Low61.2Low52 Ų5275.1 Ų75.134%0.33841%0.413SS..Hα-helixtrans-54.6-33.3178.3-26.232.8000113.7L156 I206 F207L156-P203 HydrophobicContact CB-CB 4.02Å; L156-P203 WeakPolarHBondContact O-CB 3.22Å; L156-P203 WeakPolarHBondContact O-CG 3.04Å; P203-I206 PolarHBondContact O-N 2.79Å; P203-F207 WeakPolarHBondContact O-CB 3.5Å; P203-F207 PolarHBondContact O-N 3.03Å
204R71.3Confident63.2Low131 Ų13172 Ų7249%0.49439%0.389SS..Hα-helixtrans-64.4-42.6175.7-163.7176.2-173.4165.19.7112.3E144 Y147 T202 F207 C208E144-R204 IonicContact OE1-NH2 3.6Å; E144-R204 PolarHBondContact OE1-NH2 3.21Å; E144-R204 VanDerWaalsContact OE1-NH2 3.16Å; Y147-R204 HydrophobicContact CD2-CB 4.49Å; Y147-R204 HydrophobicContact CD2-CG 4.33Å; Y147-R204 VanDerWaalsContact CE2-CA 3.41Å; Y147-R204 HydrophobicContact CE2-CB 3.81Å; Y147-R204 HydrophobicContact CE2-CG 4.09Å; T202-R204 PolarHBondContact O-N 3.34Å; T202-R204 VanDerWaalsContact O-N 3.1Å; R204-F207 PolarHBondContact O-N 3.36Å; R204-C208 WeakPolarHBondContact O-CB 3.39Å; R204-C208 PolarHBondContact O-N 3.43Å; R204-C208 PolarHBondContact O-SG 2.98Å
205R71.8Confident65.2Low82 Ų8269 Ų6931%0.30937%0.365SS..Hα-helixtrans-64.9-43.6177.4-173.5174.3178.2178.4-3.2111.4T186 T202 C208 L209T186-R205 PolarHBondContact OG1-NH2 3.06Å; T186-R205 VanDerWaalsContact OG1-NH2 3.16Å; T202-R205 WeakPolarHBondContact O-CB 3.44Å; T202-R205 PolarHBondContact O-N 3.47Å; T202-R205 WeakPolarHBondContact OG1-CB 2.82Å; R205-C208 PolarHBondContact O-N 3.47Å; R205-L209 HydrophobicContact CG-CD1 4.12Å; R205-L209 WeakPolarHBondContact O-CB 3.01Å; R205-L209 WeakPolarHBondContact O-CG 3.38Å; R205-L209 PolarHBondContact O-N 3.47Å
206I76.3Confident66.9Low7 Ų770.8 Ų70.84%0.03637%0.367CS..Hα-helixtrans-59.3-48.3175.5-59.1172.6000110.4W162 L183 M201 T202 P203 C208 L209 L210W162-I206 HydrophobicContact CB-CG2 3.59Å; W162-I206 HydrophobicContact CD2-CG2 3.66Å; W162-I206 HydrophobicContact CE3-CG2 4.12Å; W162-I206 HydrophobicContact CG-CD1 4.34Å; W162-I206 HydrophobicContact CG-CG2 3.44Å; W162-I206 VanDerWaalsContact CG-CG2 3.44Å; L183-I206 HydrophobicContact CD1-CG1 4.34Å; L183-I206 HydrophobicContact CD2-CG1 4.31Å; M201-I206 HydrophobicContact CE-CD1 4.28Å; M201-I206 HydrophobicContact CG-CD1 3.83Å; M201-I206 HydrophobicContact CG-CG1 4.05Å; M201-I206 HydrophobicContact SD-CD1 3.63Å; M201-I206 HydrophobicContact SD-CG1 4.3Å; T202-I206 PolarHBondContact O-N 2.84Å; T202-I206 VanDerWaalsContact O-N 3.16Å; P203-I206 PolarHBondContact O-N 2.79Å; I206-C208 PolarHBondContact O-N 2.88Å; I206-L209 PolarHBondContact O-N 3.13Å; I206-L210 HydrophobicContact CG2-CD1 3.94Å; I206-L210 HydrophobicContact CG2-CG 4.5Å; I206-L210 WeakPolarHBondContact O-CG 3.29Å; I206-L210 PolarHBondContact O-N 3.04Å
207F81.6Confident68.7Low1 Ų171.7 Ų71.70%0.00436%0.357CS..Hα-helixtrans-59.4-46.7177.9178.9-97.5000112.3V143 L146 Y147 A150 L156 F165 P203 R204 L209 L210 L211V143-F207 HydrophobicContact CG1-CE1 4.03Å; L146-F207 HydrophobicContact CB-CE1 4.47Å; L146-F207 HydrophobicContact CB-CZ 3.71Å; Y147-F207 HydrophobicContact CD2-CB 3.8Å; Y147-F207 AromaticContact CD2-CD1 3.81Å; Y147-F207 HydrophobicContact CD2-CD1 3.81Å; Y147-F207 HydrophobicContact CD2-CD2 4.46Å; Y147-F207 AromaticContact CD2-CG 3.76Å; Y147-F207 HydrophobicContact CD2-CG 3.76Å; Y147-F207 HydrophobicContact CE2-CB 4.28Å; Y147-F207 HydrophobicContact CG-CD1 4.3Å; A150-F207 HydrophobicContact CB-CD2 4.19Å; A150-F207 HydrophobicContact CB-CE2 3.92Å; L156-F207 HydrophobicContact CD1-CB 3.95Å; L156-F207 HydrophobicContact CD1-CD2 3.88Å; L156-F207 HydrophobicContact CD1-CG 4.14Å; L156-F207 HydrophobicContact CD2-CB 4.07Å; F165-F207 AromaticContact CE1-CD2 3.66Å; F165-F207 HydrophobicContact CE1-CD2 3.66Å; F165-F207 AromaticContact CE1-CE2 3.76Å; F165-F207 HydrophobicContact CE1-CE2 3.76Å; F165-F207 HydrophobicContact CZ-CD2 4.24Å; F165-F207 AromaticContact CZ-CE2 3.87Å; F165-F207 HydrophobicContact CZ-CE2 3.87Å; P203-F207 WeakPolarHBondContact O-CB 3.5Å; P203-F207 PolarHBondContact O-N 3.03Å; R204-F207 PolarHBondContact O-N 3.36Å; F207-L209 VanDerWaalsContact C-N 3.35Å; F207-L209 PolarHBondContact O-N 2.8Å; F207-L210 PolarHBondContact O-N 3.38Å; F207-L211 HydrophobicContact CE1-CD2 4.11Å; F207-L211 HydrophobicContact CZ-CD2 4.46Å; F207-L211 VanDerWaalsContact O-CB 3.31Å; F207-L211 WeakPolarHBondContact O-CB 3.35Å; F207-L211 PolarHBondContact O-N 2.93Å
208C78.1Confident70.1Confident55 Ų5567 Ų6737%0.37235%0.352SS..Hα-helixtrans-63.1-39.2177.9-71.20000112.5R204 R205 I206 L211 S212R204-C208 WeakPolarHBondContact O-CB 3.39Å; R204-C208 PolarHBondContact O-N 3.43Å; R204-C208 PolarHBondContact O-SG 2.98Å; R205-C208 PolarHBondContact O-N 3.47Å; I206-C208 PolarHBondContact O-N 2.88Å; C208-L211 PolarHBondContact O-N 3.2Å; C208-S212 VanDerWaalsContact O-CB 3.26Å; C208-S212 WeakPolarHBondContact O-CB 3.26Å; C208-S212 PolarHBondContact O-N 3.22Å
209L79.5Confident71.7Confident61 Ų6163.5 Ų63.532%0.31933%0.332SS..Hα-helixtrans-65-45.9176.1-80.6163.7000111.9L183 R205 I206 F207 L211 S212 K213L183-L209 HydrophobicContact CD2-CD1 3.39Å; L183-L209 HydrophobicContact CG-CD1 4.03Å; R205-L209 HydrophobicContact CG-CD1 4.12Å; R205-L209 WeakPolarHBondContact O-CB 3.01Å; R205-L209 WeakPolarHBondContact O-CG 3.38Å; R205-L209 PolarHBondContact O-N 3.47Å; I206-L209 PolarHBondContact O-N 3.13Å; F207-L209 VanDerWaalsContact C-N 3.35Å; F207-L209 PolarHBondContact O-N 2.8Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-S212 PolarHBondContact O-N 3.32Å; L209-K213 PolarHBondContact O-N 3.44Å
210L82.7Confident72.8Confident0 Ų062 Ų620%033%0.327CS..Hα-helixtrans-60.3-45.9175.2-74.2168.5000111.3W162 F165 A166 L169 F171 I179 I206 F207 S212 K213 F214W162-L210 HydrophobicContact CB-CD1 4.33Å; W162-L210 HydrophobicContact CE3-CD1 4.02Å; W162-L210 HydrophobicContact CE3-CD2 4.23Å; W162-L210 HydrophobicContact CE3-CG 4.48Å; W162-L210 HydrophobicContact CZ3-CD2 4.33Å; F165-L210 HydrophobicContact CD1-CD1 3.73Å; F165-L210 HydrophobicContact CE1-CD1 4.32Å; A166-L210 HydrophobicContact CB-CD2 3.55Å; L169-L210 HydrophobicContact CD1-CB 4.38Å; F171-L210 HydrophobicContact CD2-CD2 4.13Å; F171-L210 HydrophobicContact CE2-CD2 3.9Å; I179-L210 HydrophobicContact CD1-CD2 3.68Å; I206-L210 HydrophobicContact CG2-CD1 3.94Å; I206-L210 HydrophobicContact CG2-CG 4.5Å; I206-L210 WeakPolarHBondContact O-CG 3.29Å; I206-L210 PolarHBondContact O-N 3.04Å; F207-L210 PolarHBondContact O-N 3.38Å; L210-S212 PolarHBondContact O-N 3.23Å; L210-K213 PolarHBondContact O-N 2.96Å; L210-F214 VanDerWaalsContact O-CB 3.25Å; L210-F214 WeakPolarHBondContact O-CB 3.39Å; L210-F214 PolarHBondContact O-N 3.35Å
211L82.1Confident73.8Confident7 Ų757.1 Ų57.14%0.03730%0.302CS..Hα-helixtrans-64-42.4179.1-169.665.4000111.7V143 F207 C208 L209 F214 Q215 L221 V224V143-L211 HydrophobicContact CB-CD2 4.32Å; V143-L211 HydrophobicContact CG1-CD2 3.81Å; V143-L211 HydrophobicContact CG2-CD2 3.91Å; F207-L211 HydrophobicContact CE1-CD2 4.11Å; F207-L211 HydrophobicContact CZ-CD2 4.46Å; F207-L211 VanDerWaalsContact O-CB 3.31Å; F207-L211 WeakPolarHBondContact O-CB 3.35Å; F207-L211 PolarHBondContact O-N 2.93Å; C208-L211 PolarHBondContact O-N 3.2Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L211-F214 PolarHBondContact O-N 3.1Å; L211-Q215 WeakPolarHBondContact O-CB 3.39Å; L211-Q215 VanDerWaalsContact O-CG 3.29Å; L211-Q215 WeakPolarHBondContact O-CG 3.4Å; L211-Q215 PolarHBondContact O-N 3.4Å; L211-L221 HydrophobicContact CD1-CD2 3.79Å; L211-L221 HydrophobicContact CD2-CD2 3.89Å; L211-L221 HydrophobicContact CG-CD2 4.2Å; L211-V224 HydrophobicContact CD1-CG2 3.81Å
212S78Confident73.7Confident52 Ų5256.9 Ų56.936%0.36431%0.306SS..Hα-helixtrans-62.9-46.6176.6-177.90000111.7C208 L209 L210 F214 Q215 K216C208-S212 VanDerWaalsContact O-CB 3.26Å; C208-S212 WeakPolarHBondContact O-CB 3.26Å; C208-S212 PolarHBondContact O-N 3.22Å; L209-S212 PolarHBondContact O-N 3.32Å; L210-S212 PolarHBondContact O-N 3.23Å; S212-F214 VanDerWaalsContact C-N 3.34Å; S212-F214 PolarHBondContact O-N 2.73Å; S212-Q215 PolarHBondContact O-N 3.04Å; S212-K216 WeakPolarHBondContact O-CG 3.31Å; S212-K216 PolarHBondContact O-N 2.93Å
213K78.6Confident73.9Confident48 Ų4857.6 Ų57.621%0.20930%0.304CS..Hα-helixtrans-62.1-42.3174.2-79.5-156.2-178.9-171.10111.1F171 E178 I179 L209 L210 Q215 K216 F217F171-K213 HydrophobicContact CE1-CB 3.77Å; F171-K213 HydrophobicContact CZ-CB 3.77Å; E178-K213 IonicContact OE2-NZ 2.78Å; I179-K213 HydrophobicContact CD1-CD 3.88Å; I179-K213 HydrophobicContact CG1-CD 3.64Å; L209-K213 PolarHBondContact O-N 3.44Å; L210-K213 PolarHBondContact O-N 2.96Å; K213-Q215 VanDerWaalsContact C-N 3.34Å; K213-Q215 PolarHBondContact O-N 3.21Å; K213-K216 WeakPolarHBondContact O-CB 3.41Å; K213-K216 PolarHBondContact O-N 3.37Å; K213-K216 VanDerWaalsContact O-N 3.15Å; K213-F217 WeakPolarHBondContact O-CD2 3.29Å; K213-F217 PolarHBondContact O-N 3.48Å; K213-F217 VanDerWaalsContact O-N 3.09Å
214F80.1Confident74.1Confident19 Ų1955.1 Ų55.18%0.08329%0.288CS..Hα-helixtrans-63.3-41.1179.5-177.5-106.3000111.7L169 F171 L210 L211 S212 F217 G219 Q223 V224 I227L169-F214 HydrophobicContact CB-CD2 4Å; L169-F214 HydrophobicContact CB-CE2 4.3Å; L169-F214 HydrophobicContact CD2-CD2 4.18Å; L169-F214 HydrophobicContact CD2-CE2 4.2Å; L169-F214 HydrophobicContact CD2-CG 4.35Å; L169-F214 HydrophobicContact CD2-CZ 4.37Å; L169-F214 WeakPolarHBondContact O-CE2 3.36Å; F171-F214 HydrophobicContact CE2-CB 4.28Å; F171-F214 HydrophobicContact CZ-CB 3.9Å; L210-F214 VanDerWaalsContact O-CB 3.25Å; L210-F214 WeakPolarHBondContact O-CB 3.39Å; L210-F214 PolarHBondContact O-N 3.35Å; L211-F214 PolarHBondContact O-N 3.1Å; S212-F214 VanDerWaalsContact C-N 3.34Å; S212-F214 PolarHBondContact O-N 2.73Å; F214-F217 PolarHBondContact O-N 3.41Å; F214-G219 WeakPolarHBondContact O-CA 3.46Å; F214-G219 PolarHBondContact O-N 2.96Å; F214-Q223 HydrophobicContact CE1-CB 4.31Å; F214-Q223 HydrophobicContact CZ-CB 4.19Å; F214-V224 HydrophobicContact CD1-CG2 3.66Å; F214-V224 HydrophobicContact CE1-CG2 3.53Å; F214-V224 HydrophobicContact CZ-CG2 4.46Å; F214-I227 HydrophobicContact CZ-CD1 4.34Å
215Q77.6Confident73.9Confident90 Ų9049.4 Ų49.442%0.42127%0.269SS..Hα-helixtrans-65.4-36.9173.8-75.1176.7-18.600112.5L211 S212 K213 F217 G218L211-Q215 WeakPolarHBondContact O-CB 3.39Å; L211-Q215 VanDerWaalsContact O-CG 3.29Å; L211-Q215 WeakPolarHBondContact O-CG 3.4Å; L211-Q215 PolarHBondContact O-N 3.4Å; S212-Q215 PolarHBondContact O-N 3.04Å; K213-Q215 VanDerWaalsContact C-N 3.34Å; K213-Q215 PolarHBondContact O-N 3.21Å; Q215-F217 VanDerWaalsContact C-N 3.25Å; Q215-F217 PolarHBondContact O-N 3.37Å; Q215-G218 WeakPolarHBondContact O-CA 3.25Å; Q215-G218 PolarHBondContact O-N 3.3Å
216K72.3Confident73.4Confident175 Ų17547.5 Ų47.576%0.76127%0.268SS*.Hα-helixtrans-62.1-32.2172.8-74.1178.2-179.5-176.50112.6S212 K213 G218S212-K216 WeakPolarHBondContact O-CG 3.31Å; S212-K216 PolarHBondContact O-N 2.93Å; K213-K216 WeakPolarHBondContact O-CB 3.41Å; K213-K216 PolarHBondContact O-N 3.37Å; K213-K216 VanDerWaalsContact O-N 3.15Å; K216-G218 PolarHBondContact O-N 2.92Å
217F71.2Confident73.3Confident134 Ų13448.7 Ų48.759%0.58827%0.274SS*.THydrogen-bonded Turntrans-77.76.9171.8-70.1-64.5000114F171 E175 K213 F214 Q215F171-F217 HydrophobicContact CD1-CE2 4.21Å; F171-F217 AromaticContact CE1-CD2 3.8Å; F171-F217 HydrophobicContact CE1-CD2 3.8Å; F171-F217 AromaticContact CE1-CE2 3.72Å; F171-F217 HydrophobicContact CE1-CE2 3.72Å; E175-F217 WeakPolarHBondContact OE1-CZ 3.26Å; K213-F217 WeakPolarHBondContact O-CD2 3.29Å; K213-F217 PolarHBondContact O-N 3.48Å; K213-F217 VanDerWaalsContact O-N 3.09Å; F214-F217 PolarHBondContact O-N 3.41Å; Q215-F217 VanDerWaalsContact C-N 3.25Å; Q215-F217 PolarHBondContact O-N 3.37Å
218G65.7Low72.8Confident63 Ų6348.7 Ų48.765%0.64927%0.274SS*.THydrogen-bonded Turntrans85.910.218000000114.3Q215 K216Q215-G218 WeakPolarHBondContact O-CA 3.25Å; Q215-G218 PolarHBondContact O-N 3.3Å; K216-G218 PolarHBondContact O-N 2.92Å
219G70.4Confident72.1Confident12 Ų1248.9 Ų48.912%0.12427%0.267CS..  trans-72.1147.6176.700000113F214F214-G219 WeakPolarHBondContact O-CA 3.46Å; F214-G219 PolarHBondContact O-N 2.96Å
220C68.2Low71.4Confident49 Ų4950 Ų5033%0.33128%0.277SS..  trans-117.1158.7178.369.80000113.3S222 Q223 V224C220-S222 PolarHBondContact O-N 3.09Å; C220-S222 PolarHBondContact SG-OG 2.98Å; C220-Q223 WeakPolarHBondContact O-CB 3.4Å; C220-Q223 PolarHBondContact O-N 3.15Å; C220-Q223 WeakPolarHBondContact SG-CG 3.35Å; C220-V224 PolarHBondContact O-N 3.21Å
221L69Low70.5Confident30 Ų3050.4 Ų50.416%0.15728%0.28CS..Hα-helixtrans-59.9-33.6-176.8-61-175.5000112.9W141 L146 L211 Q223 V224 A225W141-L221 HydrophobicContact CB-CB 4.24Å; W141-L221 WeakPolarHBondContact O-CD1 3.14Å; L146-L221 HydrophobicContact CD1-CB 3.85Å; L146-L221 HydrophobicContact CD1-CD2 3.82Å; L146-L221 HydrophobicContact CD1-CG 4.31Å; L211-L221 HydrophobicContact CD1-CD2 3.79Å; L211-L221 HydrophobicContact CD2-CD2 3.89Å; L211-L221 HydrophobicContact CG-CD2 4.2Å; L221-Q223 VanDerWaalsContact C-N 3.33Å; L221-V224 PolarHBondContact O-N 3.3Å; L221-A225 PolarHBondContact O-N 3.43Å; L221-A225 VanDerWaalsContact O-N 3.1Å
222S59.8Low69.4Low56 Ų5652.6 Ų52.639%0.39230%0.296SS..Hα-helixtrans-68.8-29.6175.452.50000113.3C220 S226C220-S222 PolarHBondContact O-N 3.09Å; C220-S222 PolarHBondContact SG-OG 2.98Å; S222-S226 PolarHBondContact O-N 3.48Å
223Q69Low68Low86 Ų8658 Ų5840%0.40231%0.309SS..Hα-helixtrans-69.5-39.7171.7-74.2165.1-900111.1F214 C220 L221 A225 S226 I227F214-Q223 HydrophobicContact CE1-CB 4.31Å; F214-Q223 HydrophobicContact CZ-CB 4.19Å; C220-Q223 WeakPolarHBondContact O-CB 3.4Å; C220-Q223 PolarHBondContact O-N 3.15Å; C220-Q223 WeakPolarHBondContact SG-CG 3.35Å; L221-Q223 VanDerWaalsContact C-N 3.33Å; Q223-A225 VanDerWaalsContact C-N 3.33Å; Q223-A225 PolarHBondContact O-N 3.4Å; Q223-S226 WeakPolarHBondContact CA-OG 3.47Å; Q223-S226 PolarHBondContact O-N 3.48Å; Q223-S226 PolarHBondContact O-OG 3.38Å; Q223-I227 WeakPolarHBondContact O-CB 3.15Å; Q223-I227 WeakPolarHBondContact O-CD1 3.31Å; Q223-I227 WeakPolarHBondContact O-CG1 3.27Å; Q223-I227 PolarHBondContact O-N 2.95Å
224V72.8Confident66.6Low0 Ų060.9 Ų60.90%033%0.326CS..Hα-helixtrans-60.1-45.7175-179.20000110.7L146 F165 L169 L211 F214 C220 L221 S226 I227 L228L146-V224 HydrophobicContact CD1-CB 4.25Å; L146-V224 HydrophobicContact CD1-CG1 4.33Å; L146-V224 HydrophobicContact CD2-CG1 4.38Å; F165-V224 HydrophobicContact CZ-CG1 4.09Å; L169-V224 HydrophobicContact CD2-CB 4.48Å; L169-V224 HydrophobicContact CD2-CG1 4.27Å; L169-V224 HydrophobicContact CD2-CG2 3.98Å; L211-V224 HydrophobicContact CD1-CG2 3.81Å; F214-V224 HydrophobicContact CD1-CG2 3.66Å; F214-V224 HydrophobicContact CE1-CG2 3.53Å; F214-V224 HydrophobicContact CZ-CG2 4.46Å; C220-V224 PolarHBondContact O-N 3.21Å; L221-V224 PolarHBondContact O-N 3.3Å; V224-S226 VanDerWaalsContact C-N 3.35Å; V224-S226 PolarHBondContact O-N 3.16Å; V224-I227 PolarHBondContact O-N 2.86Å; V224-L228 HydrophobicContact CG1-CD1 3.99Å; V224-L228 WeakPolarHBondContact O-CB 3.41Å; V224-L228 WeakPolarHBondContact O-CG 3.39Å; V224-L228 PolarHBondContact O-N 3.08Å
225A67.9Low64.9Low10 Ų1069.4 Ų69.48%0.08336%0.363CS..Hα-helixtrans-60.6-41.617600000112.9W141 L146 L221 Q223 Y229W141-A225 HydrophobicContact CD2-CB 3.94Å; W141-A225 VanDerWaalsContact CE2-CB 3.41Å; W141-A225 HydrophobicContact CG-CB 4.19Å; W141-A225 HydrophobicContact CZ2-CB 3.76Å; W141-A225 VanDerWaalsContact NE1-CB 3.33Å; L146-A225 HydrophobicContact CD2-CB 3.84Å; L221-A225 PolarHBondContact O-N 3.43Å; L221-A225 VanDerWaalsContact O-N 3.1Å; Q223-A225 VanDerWaalsContact C-N 3.33Å; Q223-A225 PolarHBondContact O-N 3.4Å; A225-Y229 WeakPolarHBondContact O-CB 3.4Å; A225-Y229 PolarHBondContact O-N 2.95Å; A225-Y229 VanDerWaalsContact O-N 3.09Å
226S61.7Low63.2Low42 Ų4270.5 Ų70.529%0.29437%0.372SS..Hα-helixtrans-69-40179.569.90000111.8S222 Q223 V224 Y229 T230S222-S226 PolarHBondContact O-N 3.48Å; Q223-S226 WeakPolarHBondContact CA-OG 3.47Å; Q223-S226 PolarHBondContact O-N 3.48Å; Q223-S226 PolarHBondContact O-OG 3.38Å; V224-S226 VanDerWaalsContact C-N 3.35Å; V224-S226 PolarHBondContact O-N 3.16Å; S226-Y229 PolarHBondContact O-N 3.36Å; S226-T230 WeakPolarHBondContact O-CG2 3.47Å; S226-T230 PolarHBondContact O-N 3.29Å; S226-T230 PolarHBondContact O-OG1 3.09Å
227I72.4Confident61.7Low33 Ų3370.1 Ų70.117%0.16937%0.37CS..Hα-helixtrans-61.5-47.2174.9-70.4165.5000110.7L168 L169 F214 Q223 V224 Y229 T230 A231L168-I227 HydrophobicContact CB-CG2 3.96Å; L168-I227 VanDerWaalsContact O-CG2 3.3Å; L168-I227 WeakPolarHBondContact O-CG2 3.21Å; L169-I227 HydrophobicContact CD2-CD1 4.09Å; F214-I227 HydrophobicContact CZ-CD1 4.34Å; Q223-I227 WeakPolarHBondContact O-CB 3.15Å; Q223-I227 WeakPolarHBondContact O-CD1 3.31Å; Q223-I227 WeakPolarHBondContact O-CG1 3.27Å; Q223-I227 PolarHBondContact O-N 2.95Å; V224-I227 PolarHBondContact O-N 2.86Å; I227-Y229 VanDerWaalsContact C-N 3.27Å; I227-Y229 PolarHBondContact O-N 3.46Å; I227-T230 WeakPolarHBondContact CA-OG1 3.38Å; I227-T230 PolarHBondContact O-N 3.29Å; I227-T230 PolarHBondContact O-OG1 3.47Å; I227-A231 VanDerWaalsContact O-CB 3.25Å; I227-A231 WeakPolarHBondContact O-CB 3.47Å; I227-A231 PolarHBondContact O-N 3.06Å
228L71.7Confident60.4Low0 Ų065.8 Ų65.80%035%0.353CS..Hα-helixtrans-61.5-36.7177.4-74.5169.7000111.7L149 A150 Y153 Y155 F165 V224 S232L149-L228 HydrophobicContact CD2-CB 3.54Å; L149-L228 HydrophobicContact CD2-CD1 3.5Å; L149-L228 VanDerWaalsContact CD2-CD1 3.5Å; L149-L228 HydrophobicContact CD2-CG 4.08Å; A150-L228 HydrophobicContact CB-CD1 4.11Å; A150-L228 HydrophobicContact CB-CD2 4.31Å; Y153-L228 HydrophobicContact CD2-CB 4.04Å; Y153-L228 HydrophobicContact CD2-CD2 4.15Å; Y153-L228 HydrophobicContact CE2-CB 3.9Å; Y153-L228 WeakPolarHBondContact CE2-O 3.49Å; Y155-L228 HydrophobicContact CD2-CD2 3.68Å; Y155-L228 HydrophobicContact CE2-CD2 3.71Å; F165-L228 HydrophobicContact CD2-CD2 3.89Å; F165-L228 HydrophobicContact CE2-CD1 4.24Å; F165-L228 HydrophobicContact CE2-CD2 3.46Å; F165-L228 VanDerWaalsContact CE2-CD2 3.46Å; F165-L228 HydrophobicContact CE2-CG 3.94Å; F165-L228 HydrophobicContact CZ-CD2 4.44Å; V224-L228 HydrophobicContact CG1-CD1 3.99Å; V224-L228 WeakPolarHBondContact O-CB 3.41Å; V224-L228 WeakPolarHBondContact O-CG 3.39Å; V224-L228 PolarHBondContact O-N 3.08Å; L228-S232 PolarHBondContact O-N 2.67Å
229Y63.6Low58.9Low60 Ų6065.2 Ų65.224%0.23534%0.337CS..Hα-helixtrans-73-40176-175.5-97.2000113.8W35 A225 S226 I227 A231 S232 R233W35-Y229 HydrophobicContact CZ2-CE2 4.21Å; A225-Y229 WeakPolarHBondContact O-CB 3.4Å; A225-Y229 PolarHBondContact O-N 2.95Å; A225-Y229 VanDerWaalsContact O-N 3.09Å; S226-Y229 PolarHBondContact O-N 3.36Å; I227-Y229 VanDerWaalsContact C-N 3.27Å; I227-Y229 PolarHBondContact O-N 3.46Å; Y229-A231 VanDerWaalsContact C-N 3.28Å; Y229-S232 PolarHBondContact O-N 3.23Å; Y229-S232 PolarHBondContact O-OG 2.91Å; Y229-R233 HydrophobicContact CE1-CG 4.27Å; Y229-R233 PolarHBondContact O-N 2.71Å; Y229-R233 PolarHBondContact OH-NE 3.04Å; Y229-R233 VanDerWaalsContact OH-NE 3.12Å; Y229-R233 PolarHBondContact OH-NH2 2.97Å; Y229-R233 VanDerWaalsContact OH-NH2 3.16Å
230T64.1Low57.2Low84 Ų8469.5 Ų69.552%0.51536%0.358SS..Hα-helixtrans-66.1-37.6175.252.10000110.6S226 I227 R233 N234S226-T230 WeakPolarHBondContact O-CG2 3.47Å; S226-T230 PolarHBondContact O-N 3.29Å; S226-T230 PolarHBondContact O-OG1 3.09Å; I227-T230 WeakPolarHBondContact CA-OG1 3.38Å; I227-T230 PolarHBondContact O-N 3.29Å; I227-T230 PolarHBondContact O-OG1 3.47Å; T230-R233 PolarHBondContact O-N 3.35Å; T230-N234 PolarHBondContact O-N 3.35Å; T230-N234 VanDerWaalsContact O-N 3.1Å
231A63.5Low55.5Low9 Ų973.3 Ų73.37%0.07438%0.375CS..Hα-helixtrans-62.9-40174.400000112Y155 L168 I227 Y229 R233 N234Y155-A231 VanDerWaalsContact OH-CB 3.3Å; Y155-A231 WeakPolarHBondContact OH-CB 3.43Å; L168-A231 HydrophobicContact CD1-CB 3.9Å; L168-A231 HydrophobicContact CD2-CB 3.94Å; I227-A231 VanDerWaalsContact O-CB 3.25Å; I227-A231 WeakPolarHBondContact O-CB 3.47Å; I227-A231 PolarHBondContact O-N 3.06Å; Y229-A231 VanDerWaalsContact C-N 3.28Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.93Å; A231-N234 PolarHBondContact O-N 2.71Å
232S60.1Low53.8Low53 Ų5374.8 Ų74.837%0.37138%0.382SS..Hα-helixtrans-69.3-27.4177.377.20000114Y153 L228 Y229Y153-S232 VanDerWaalsContact CZ-CB 3.46Å; Y153-S232 PolarHBondContact OH-OG 3.11Å; L228-S232 PolarHBondContact O-N 2.67Å; Y229-S232 PolarHBondContact O-N 3.23Å; Y229-S232 PolarHBondContact O-OG 2.91Å
233R48.8Very low52.5Low166 Ų16676.8 Ų76.863%0.62640%0.397SS*.Hα-helixtrans-76.9-27.4172.2-85.2-161.6178.2-158.40.4113.8Y229 T230 A231 K235Y229-R233 HydrophobicContact CE1-CG 4.27Å; Y229-R233 PolarHBondContact O-N 2.71Å; Y229-R233 PolarHBondContact OH-NE 3.04Å; Y229-R233 VanDerWaalsContact OH-NE 3.12Å; Y229-R233 PolarHBondContact OH-NH2 2.97Å; Y229-R233 VanDerWaalsContact OH-NH2 3.16Å; T230-R233 PolarHBondContact O-N 3.35Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.93Å; R233-K235 PolarHBondContact O-N 3.27Å
234N48.6Very low50.7Low107 Ų10778.6 Ų78.657%0.57241%0.405SS*.SBendtrans-65.3106.4174.8-110-14000107T230 A231 N236T230-N234 PolarHBondContact O-N 3.35Å; T230-N234 VanDerWaalsContact O-N 3.1Å; A231-N234 PolarHBondContact O-N 2.71Å; N234-N236 CarbonylContact O-C 3.52Å; N234-N236 PolarHBondContact O-N 3.33Å
235K43.7Very low48.6Very low198 Ų19882.8 Ų82.886%0.86143%0.432SS*.  trans-58.42.9177.3-74.2-174.8176-1760114.2R233 K237R233-K235 PolarHBondContact O-N 3.27Å; K235-K237 PolarHBondContact O-N 3.36Å
236N43.1Very low47Very low114 Ų11487.6 Ų87.661%0.6146%0.457SS*.  trans-6476.5157.6-60.6-7.5000106.6N234 I238N234-N236 CarbonylContact O-C 3.52Å; N234-N236 PolarHBondContact O-N 3.33Å; N236-I238 PolarHBondContact O-N 3.35Å
237K40.7Very low45.6Very low167 Ų16793.2 Ų93.273%0.72648%0.476SS*.  trans-32.3131.3156.5-75.1-176.3171.7-168.20105.9K235 P239K235-K237 PolarHBondContact O-N 3.36Å; K237-P239 VanDerWaalsContact C-N 3.29Å; K237-P239 WeakPolarHBondContact O-CD 3.44Å
238I42.9Very low43.5Very low43 Ų4398.9 Ų98.922%0.22150%0.496CS..  trans-46.8109.5160.2-66.4160.3000103.7Y153 N236 D240Y153-I238 WeakPolarHBondContact O-CD1 3.37Å; N236-I238 PolarHBondContact O-N 3.35Å; I238-D240 PolarHBondContact O-N 3.48Å
239P34.9Very low41.6Very low50 Ų50103.7 Ų103.733%0.32552%0.521SS..  trans-63.1120.9-172.131.5000105.1K237 N241 L242K237-P239 VanDerWaalsContact C-N 3.29Å; K237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-N241 HydrophobicContact CB-CB 4.14Å; P239-N241 PolarHBondContact O-N 3.33Å; P239-L242 PolarHBondContact O-N 3.48Å
240D35.3Very low40.3Very low102 Ų102105.6 Ų105.655%0.54554%0.536SS..G310 helixtrans-57.3-5.1170.9-64.7-43.2000111.6I238 L242 S243I238-D240 PolarHBondContact O-N 3.48Å; D240-L242 PolarHBondContact O-N 3.34Å; D240-S243 VanDerWaalsContact O-CB 3.3Å; D240-S243 WeakPolarHBondContact O-CB 3.36Å; D240-S243 PolarHBondContact O-N 2.83Å; D240-S243 PolarHBondContact O-OG 3.22Å
241N31.9Very low38.8Very low129 Ų129105.6 Ų105.669%0.6953%0.532SS*.G310 helixtrans-60.2-7.7170.6-60.2-4.7000114.4P239 S243 Q244P239-N241 HydrophobicContact CB-CB 4.14Å; P239-N241 PolarHBondContact O-N 3.33Å; N241-S243 PolarHBondContact O-N 3.46Å; N241-Q244 PolarHBondContact O-N 2.92Å
242L33.8Very low37.3Very low61 Ų61110.6 Ų110.632%0.31955%0.553SS.*G310 helixtrans-76-5.3165.3-86.6162.2000113.5R161 P239 D240 Q244 Y248R161-L242 HydrophobicContact CG-CD1 3.95Å; P239-L242 PolarHBondContact O-N 3.48Å; D240-L242 PolarHBondContact O-N 3.34Å; L242-Q244 PolarHBondContact O-N 2.78Å; L242-Y248 HydrophobicContact CD2-CD2 4.29Å; L242-Y248 HydrophobicContact CD2-CE2 4.48Å
243S31.4Very low36.2Very low99 Ų99114.1 Ų114.169%0.69256%0.561SS**G310 helixtrans-67-3.616161.10000113.1D240 N241 P245D240-S243 VanDerWaalsContact O-CB 3.3Å; D240-S243 WeakPolarHBondContact O-CB 3.36Å; D240-S243 PolarHBondContact O-N 2.83Å; D240-S243 PolarHBondContact O-OG 3.22Å; N241-S243 PolarHBondContact O-N 3.46Å; S243-P245 WeakPolarHBondContact O-CD 3.29Å
244Q31.5Very low35.3Very low123 Ų123113.1 Ų113.158%0.57557%0.566SS**  trans-101.284.8163.7-70.2-171.3-9.400110.4N241 L242 N246N241-Q244 PolarHBondContact O-N 2.92Å; L242-Q244 PolarHBondContact O-N 2.78Å; Q244-N246 PolarHBondContact O-N 3.43Å
245P29.6Very low34.6Very low88 Ų88115 Ų11557%0.57157%0.569SS**Hα-helixtrans-56.3-21.7172.920.7-30.6000112.6S243 K247 L249S243-P245 WeakPolarHBondContact O-CD 3.29Å; P245-K247 PolarHBondContact O-N 3.49Å; P245-L249 WeakPolarHBondContact O-CB 3.25Å; P245-L249 PolarHBondContact O-N 3.2Å; P245-L249 VanDerWaalsContact O-N 3.16Å
246N33.7Very low34Very low112 Ų112107.7 Ų107.760%0.59954%0.543SS*.Hα-helixtrans-71.2-24.7-171.3-67.8-11000115.4Q244 N250Q244-N246 PolarHBondContact O-N 3.43Å; N246-N250 PolarHBondContact O-N 3.13Å
247K31.3Very low33.5Very low159 Ų159106.7 Ų106.769%0.69154%0.538SS*.Hα-helixtrans-75.4-40-175.3-133.7177-174.5178.80112.4P245P245-K247 PolarHBondContact O-N 3.49Å
248Y30.3Very low33.1Very low152 Ų152103 Ų10360%0.59653%0.531SS*.Hα-helixtrans-79.6-26.1171.8-80.8-78.8000112.7L242 N250 D251 F252L242-Y248 HydrophobicContact CD2-CD2 4.29Å; L242-Y248 HydrophobicContact CD2-CE2 4.48Å; Y248-N250 PolarHBondContact O-N 3.06Å; Y248-D251 PolarHBondContact O-N 2.98Å; Y248-F252 WeakPolarHBondContact O-CB 3.37Å; Y248-F252 PolarHBondContact O-N 3.04Å
249L31.9Very low32.7Very low101 Ų101108.5 Ų108.553%0.52955%0.55SS.*Hα-helixtrans-61.4-32.8172-156.387.9000111.6P245 F252 K253P245-L249 WeakPolarHBondContact O-CB 3.25Å; P245-L249 PolarHBondContact O-N 3.2Å; P245-L249 VanDerWaalsContact O-N 3.16Å; L249-F252 CarbonylContact O-C 3.37Å; L249-F252 PolarHBondContact O-N 3.42Å; L249-K253 WeakPolarHBondContact O-CB 3.21Å; L249-K253 PolarHBondContact O-N 2.84Å
250N34.5Very low32.6Very low101 Ų101113 Ų11354%0.5457%0.567SS.*Hα-helixtrans-73.3-40.8175.7-77.4-9.3000112.8N246 Y248 F252 K253 M254N246-N250 PolarHBondContact O-N 3.13Å; Y248-N250 PolarHBondContact O-N 3.06Å; N250-F252 PolarHBondContact O-N 2.79Å; N250-K253 PolarHBondContact O-N 3.19Å; N250-M254 PolarHBondContact O-N 2.86Å
251D33.3Very low32.4Very low83 Ų83116.2 Ų116.244%0.44458%0.578SS.*Hα-helixtrans-60.3-41170.4-72.5-15.7000109.7Y248 K253 M254 F255Y248-D251 PolarHBondContact O-N 2.98Å; D251-K253 PolarHBondContact O-N 2.74Å; D251-M254 WeakPolarHBondContact O-CB 3.43Å; D251-M254 PolarHBondContact O-N 2.93Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 3.31Å
252F32.3Very low32.4Very low115 Ų115116.4 Ų116.450%0.50458%0.579SS.*Hα-helixtrans-66.1-36.1175.4-136.5-84.1000113Y248 L249 N250 M254 F255 S256Y248-F252 WeakPolarHBondContact O-CB 3.37Å; Y248-F252 PolarHBondContact O-N 3.04Å; L249-F252 CarbonylContact O-C 3.37Å; L249-F252 PolarHBondContact O-N 3.42Å; N250-F252 PolarHBondContact O-N 2.79Å; F252-M254 VanDerWaalsContact C-N 3.35Å; F252-F255 CarbonylContact O-C 3.55Å; F252-F255 PolarHBondContact O-N 3Å; F252-S256 VanDerWaalsContact O-CB 3.25Å; F252-S256 WeakPolarHBondContact O-CB 3.47Å; F252-S256 PolarHBondContact O-N 3.38Å
253K36.1Very low32Very low127 Ų127121.4 Ų121.455%0.55260%0.601SS**Hα-helixtrans-64.1-42172.3-113.7-176.4178.7-177.20110.7L249 N250 D251 F255 S256 D257L249-K253 WeakPolarHBondContact O-CB 3.21Å; L249-K253 PolarHBondContact O-N 2.84Å; N250-K253 PolarHBondContact O-N 3.19Å; D251-K253 PolarHBondContact O-N 2.74Å; K253-F255 VanDerWaalsContact C-N 3.29Å; K253-F255 PolarHBondContact O-N 3.5Å; K253-S256 PolarHBondContact O-N 2.85Å; K253-D257 VanDerWaalsContact O-CB 3.22Å; K253-D257 WeakPolarHBondContact O-CB 3.46Å; K253-D257 PolarHBondContact O-N 2.95Å
254M31.2Very low32Very low145 Ų145121.8 Ų121.871%0.71460%0.601SS**Hα-helixtrans-60.3-38.7172.2-98.2-166.5149.100112.4N250 D251 F252 C258N250-M254 PolarHBondContact O-N 2.86Å; D251-M254 WeakPolarHBondContact O-CB 3.43Å; D251-M254 PolarHBondContact O-N 2.93Å; F252-M254 VanDerWaalsContact C-N 3.35Å; M254-C258 PolarHBondContact O-SG 2.88Å
255F32.8Very low31.7Very low145 Ų145125 Ų12564%0.63661%0.613SS**Hα-helixtrans-74.8-36.6176.6-75-67.8000113.3D251 F252 K253 C258 Y259D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 3.31Å; F252-F255 CarbonylContact O-C 3.55Å; F252-F255 PolarHBondContact O-N 3Å; K253-F255 VanDerWaalsContact C-N 3.29Å; K253-F255 PolarHBondContact O-N 3.5Å; F255-C258 WeakPolarHBondContact O-CB 3.29Å; F255-Y259 VanDerWaalsContact O-CD2 3.31Å; F255-Y259 WeakPolarHBondContact O-CD2 3.29Å
256S31.2Very low31.6Very low45 Ų45126.3 Ų126.332%0.31562%0.624SS.*Hα-helixtrans-77.4-34.2180-168.50000112.5F252 K253 C258 Y259 H260F252-S256 VanDerWaalsContact O-CB 3.25Å; F252-S256 WeakPolarHBondContact O-CB 3.47Å; F252-S256 PolarHBondContact O-N 3.38Å; K253-S256 PolarHBondContact O-N 2.85Å; S256-C258 PolarHBondContact O-N 3.47Å; S256-Y259 WeakPolarHBondContact O-CB 3.3Å; S256-Y259 PolarHBondContact O-N 3.38Å; S256-H260 PolarHBondContact O-N 2.95Å
257D33.1Very low31.4Very low94 Ų94127 Ų12750%0.50363%0.628SS.*Hα-helixtrans-67.8-26.7177-70.4-19.3000110.8K253 Y259 H260K253-D257 VanDerWaalsContact O-CB 3.22Å; K253-D257 WeakPolarHBondContact O-CB 3.46Å; K253-D257 PolarHBondContact O-N 2.95Å; D257-Y259 PolarHBondContact O-N 2.95Å; D257-H260 PolarHBondContact O-N 2.92Å
258C33Very low31.1Very low88 Ų88125 Ų12560%0.59563%0.629SS**Hα-helixtrans-63.7-25168.4-68.50000113.2M254 F255 S256M254-C258 PolarHBondContact O-SG 2.88Å; F255-C258 WeakPolarHBondContact O-CB 3.29Å; S256-C258 PolarHBondContact O-N 3.47Å
259Y33.6Very low31Very low159 Ų159128.1 Ų128.162%0.62464%0.641SS**Hα-helixtrans-83.9-29.9177.7-82.2-82.2000113.3F255 S256 D257F255-Y259 VanDerWaalsContact O-CD2 3.31Å; F255-Y259 WeakPolarHBondContact O-CD2 3.29Å; S256-Y259 WeakPolarHBondContact O-CB 3.3Å; S256-Y259 PolarHBondContact O-N 3.38Å; D257-Y259 PolarHBondContact O-N 2.95Å
260H33.1Very low30.6Very low146 Ų146132.6 Ų132.668%0.67666%0.657SS**Hα-helixtrans-85.5-9.6-174.5-75.2-50.3000115.4S256 D257S256-H260 PolarHBondContact O-N 2.95Å; D257-H260 PolarHBondContact O-N 2.92Å
261H31.5Very low30.3Very low169 Ų169133.8 Ų133.878%0.78266%0.663SS**THydrogen-bonded Turntrans-98.5-5.3-179.2-93.653.6000116.2
262N31.1Very low29.9Very low133 Ų133136.8 Ų136.871%0.71168%0.679SS**SBendtrans-116.711.7-174.5-75.7-22000115.9P264N262-P264 VanDerWaalsContact C-CD 3.49Å; N262-P264 WeakPolarHBondContact O-CD 3.03Å
263H25.2Very low29.7Very low165 Ų165138.3 Ų138.376%0.76469%0.692SS**  trans-95.893.7163.2-85.7-68.6000109.6K265H263-K265 PolarHBondContact O-N 3.1Å; H263-K265 VanDerWaalsContact O-N 3.15Å
264P30.7Very low29.1Very low107 Ų107141.4 Ų141.470%0.69571%0.709SS**  trans-56.5124.3157.525.6-29.9000106.3N262 S266N262-P264 VanDerWaalsContact C-CD 3.49Å; N262-P264 WeakPolarHBondContact O-CD 3.03Å; P264-S266 PolarHBondContact O-N 2.88Å
265K26.6Very low28.8Very low192 Ų192139.7 Ų139.784%0.83571%0.711SS**  trans-54.489.5169.3-69.7175177.2179.10108H263 D267H263-K265 PolarHBondContact O-N 3.1Å; H263-K265 VanDerWaalsContact O-N 3.15Å; K265-D267 PolarHBondContact O-N 2.82Å
266S27.5Very low28.5Very low114 Ų114137.4 Ų137.480%0.79771%0.714SS**  trans-84.883.8162.857.30000105.7P264P264-S266 PolarHBondContact O-N 2.88Å
267D28Very low28.1Very low127 Ų127141.6 Ų141.668%0.67974%0.737SS**  trans-51.5140163.3-71.7-44.3000109.4K265K265-D267 PolarHBondContact O-N 2.82Å
268T26.8Very low27.7Very low117 Ų117141.9 Ų141.972%0.71875%0.746SS**  trans57.5109155.852.40000117.3
269Y27.3Very low27.3Very low218 Ų218146 Ų14686%0.85576%0.756SS**  -165.885127.8-96.4-72.1000107.5N271Y269-N271 PolarHBondContact O-N 3.16Å
270F23.5Very low26.8Very low194 Ų194149.3 Ų149.385%0.85177%0.768SS**  trans-60.7112.7152.8-92.7-97.6000106.2
271N27.9Very low26.4Very low127 Ų127149.2 Ų149.268%0.67977%0.771SS**  trans-134.696.5161.2-101.2-17.6000107Y269 N273Y269-N271 PolarHBondContact O-N 3.16Å; N271-N273 PolarHBondContact O-N 3.29Å; N271-N273 VanDerWaalsContact O-N 3.11Å
272D24.9Very low25.9Very low145 Ų145147.1 Ų147.178%0.77577%0.774SS**  trans-57.8103.8157.2-63.8-48.5000107.7
273N27.8Very low25.5Very low147 Ų147148.5 Ų148.579%0.78678%0.776SS**  trans-145.2102.2157.6-91.7-31.9000108.3N271N271-N273 PolarHBondContact O-N 3.29Å; N271-N273 VanDerWaalsContact O-N 3.11Å
274E24.6Very low25.6Very low192 Ų192146.7 Ų146.790%0.89778%0.779SS**  trans-38.9132.8150.9-59.9174.7143.100110.4
275S23.5Very low25.3Very low109 Ų109150.1 Ų150.176%0.76279%0.786SS**  trans150.3137.8142.81770000113
276S26.5Very low25.3Very low98 Ų98150.4 Ų150.469%0.68579%0.787SS**  trans83.888.4157.471.70000118.3S278S276-S278 PolarHBondContact O-N 3.23Å
277V23.1Very low25.2Very low133 Ų133152.2 Ų152.281%0.80679%0.786SS**  trans-26.7114139.8-178.80000111.2E279V277-E279 HydrophobicContact CG1-CG 4.35Å
278S25.9Very low25.1Very low100 Ų100152.2 Ų152.270%0.69979%0.791SS**  trans-121.599.6160.4-76.20000107.6S276 R280S276-S278 PolarHBondContact O-N 3.23Å; S278-R280 VanDerWaalsContact C-N 3.27Å; S278-R280 PolarHBondContact O-N 3.17Å
279E23.8Very low25.1Very low173 Ų173155.2 Ų155.281%0.80880%0.796SS**  trans-57.488.5165.3-71.9178.114900109.1V277 I281V277-E279 HydrophobicContact CG1-CG 4.35Å; E279-I281 VanDerWaalsContact C-N 3.32Å; E279-I281 PolarHBondContact O-N 3.45Å
280R23.8Very low25Very low230 Ų230148 Ų14887%0.86879%0.788SS**  trans-77.194.3164.4-76.6-168.3-165.5-179.96.7107.9S278 C282S278-R280 VanDerWaalsContact C-N 3.27Å; S278-R280 PolarHBondContact O-N 3.17Å; R280-C282 PolarHBondContact O-N 3.34Å
281I23.7Very low25.1Very low144 Ų144145.6 Ų145.674%0.73878%0.783SS**  trans-50.6101.5158.9-62.2166.3000107.1E279 Q283E279-I281 VanDerWaalsContact C-N 3.32Å; E279-I281 PolarHBondContact O-N 3.45Å; I281-Q283 PolarHBondContact O-N 3.43Å
282C21.2Very low24.9Very low125 Ų125145.6 Ų145.685%0.84579%0.791SS**  trans-65.995.6171.5-86.80000108.5R280R280-C282 PolarHBondContact O-N 3.34Å
283Q24.1Very low24.9Very low162 Ų162146 Ų14676%0.75779%0.788SS**  trans-67.5136.8165.2-70.8-162.4-1.900109.6I281 Q285I281-Q283 PolarHBondContact O-N 3.43Å; Q283-Q285 PolarHBondContact O-N 3.23Å; Q283-Q285 VanDerWaalsContact O-N 3.07Å
284P26Very low25Very low126 Ų126144.6 Ų144.682%0.81879%0.787SS**  trans-68.3108.7-177.627.1-32000109.6K286P284-K286 PolarHBondContact O-N 3.19Å
285Q25.7Very low25.2Very low179 Ų179143 Ų14384%0.83678%0.784SS**  trans-64.2109.8172.7-74.6180-13.600108.9Q283 I287Q283-Q285 PolarHBondContact O-N 3.23Å; Q283-Q285 VanDerWaalsContact O-N 3.07Å; Q285-I287 PolarHBondContact O-N 3.34Å
286K24.7Very low25.3Very low198 Ų198146.7 Ų146.786%0.86179%0.79SS**  trans-58105.8161.2-80.9176.8174.5175.80107.4P284 T288P284-K286 PolarHBondContact O-N 3.19Å; K286-T288 VanDerWaalsContact C-N 3.3Å; K286-T288 PolarHBondContact O-N 3.22Å; K286-T288 PolarHBondContact O-OG1 3.3Å
287I26.4Very low25.4Very low152 Ų152148.7 Ų148.778%0.77979%0.792SS**  trans-72.592.7171.5-60168.3000106.5Q285Q285-I287 PolarHBondContact O-N 3.34Å
288T25.9Very low25.5Very low127 Ų127150 Ų15078%0.77979%0.794SS**  trans-70.6124.5169-5.40000108K286 G290K286-T288 VanDerWaalsContact C-N 3.3Å; K286-T288 PolarHBondContact O-N 3.22Å; K286-T288 PolarHBondContact O-OG1 3.3Å; T288-G290 PolarHBondContact O-N 3.04Å
289H26.8Very low25.6Very low181 Ų181152.1 Ų152.184%0.83879%0.793SS**  trans-60.592.2175.1-69.6-79.6000110.5I291H289-I291 PolarHBondContact O-N 3.16Å
290G24.7Very low25.6Very low65 Ų65151.2 Ų151.267%0.6779%0.794SS**  trans-71.7107.1170.700000109.8T288 C292T288-G290 PolarHBondContact O-N 3.04Å; G290-C292 VanDerWaalsContact C-N 3.32Å; G290-C292 PolarHBondContact O-N 3.17Å
291I26.1Very low25.8Very low145 Ų145146.5 Ų146.574%0.74478%0.784SS**  trans-67.691.8167.8-61.5164.6000106.5H289 H293H289-I291 PolarHBondContact O-N 3.16Å; I291-H293 PolarHBondContact O-N 3.37Å
292C23.2Very low25.9Very low126 Ų126146.4 Ų146.485%0.85179%0.786SS**  trans-76.1111.2171.7-80.60000109G290G290-C292 VanDerWaalsContact C-N 3.32Å; G290-C292 PolarHBondContact O-N 3.17Å
293H26.1Very low26.1Very low153 Ų153148.9 Ų148.971%0.70878%0.782SS**  trans-61.6147.5171-73.7-83.3000111.5I291 N295I291-H293 PolarHBondContact O-N 3.37Å; H293-N295 PolarHBondContact O-N 2.86Å
294P30Very low26.2Very low119 Ų119147 Ų14777%0.77378%0.784SS**  trans-72.9107.9-177.128.4-32000110.5Q296P294-Q296 PolarHBondContact O-N 3.15Å
295N27.3Very low26.3Very low158 Ų158148.3 Ų148.385%0.84578%0.783SS**  trans-71.7111.5169-85.7-17000109.5H293 L297H293-N295 PolarHBondContact O-N 2.86Å; N295-L297 PolarHBondContact O-N 3.45Å; N295-L297 VanDerWaalsContact O-N 3.13Å
296Q26.3Very low26.3Very low187 Ų187145.5 Ų145.587%0.87478%0.778SS**  trans-56.7104.7163.2-66.5171.8-18.100109.1P294P294-Q296 PolarHBondContact O-N 3.15Å
297L27.8Very low26.5Very low140 Ų140145.1 Ų145.173%0.73378%0.779SS**  trans-121.2100158.1-132.297.5000108N295 Q299N295-L297 PolarHBondContact O-N 3.45Å; N295-L297 VanDerWaalsContact O-N 3.13Å; L297-Q299 HydrophobicContact CD2-CG 4.43Å; L297-Q299 PolarHBondContact O-N 3.02Å
298N25.4Very low26.6Very low160 Ų160146.1 Ų146.186%0.85678%0.781SS**  trans-5996.4166.4-80.8-30.5000108.9
299Q27.7Very low26.6Very low145 Ų145151 Ų15168%0.67879%0.786SS**  trans-119.3102.2157.2-76.4-172.8-7.800107.7L297 I301L297-Q299 HydrophobicContact CD2-CG 4.43Å; L297-Q299 PolarHBondContact O-N 3.02Å; Q299-I301 HydrophobicContact CB-CG1 4.45Å; Q299-I301 PolarHBondContact O-N 3Å
300N25.2Very low26.7Very low154 Ų154149.3 Ų149.382%0.82478%0.784SS**  trans-57.184.7165.2-79.2-28000108.9N302N300-N302 PolarHBondContact O-N 3.39Å
301I27.1Very low26.8Very low130 Ų130154.6 Ų154.667%0.66779%0.79SS**  trans-85.692167.2-59.5175.2000105.7Q299 F303Q299-I301 HydrophobicContact CB-CG1 4.45Å; Q299-I301 PolarHBondContact O-N 3Å; I301-F303 PolarHBondContact O-N 3.19Å
302N26.1Very low26.9Very low143 Ų143153.4 Ų153.477%0.76579%0.789SS**  trans-58.4115.1169.3-80.2-18.5000108.6N300N300-N302 PolarHBondContact O-N 3.39Å
303F24.7Very low27.1Very low177 Ų177154.6 Ų154.678%0.77678%0.783SS**  trans-65.3128.7166.7-73.8-87.6000108.8I301 I305I301-F303 PolarHBondContact O-N 3.19Å; F303-I305 PolarHBondContact O-N 3.44Å; F303-I305 VanDerWaalsContact O-N 3.07Å
304P27.7Very low27.3Very low121 Ų121152.2 Ų152.279%0.78678%0.779SS**  trans-69.1106.3170.426.8-29.9000109T306P304-T306 PolarHBondContact O-N 3.11Å
305I26.8Very low27.1Very low155 Ų155154.6 Ų154.680%0.79578%0.779SS**  trans-89.773.7170.8-52.1168.4000107.8F303F303-I305 PolarHBondContact O-N 3.44Å; F303-I305 VanDerWaalsContact O-N 3.07Å
306T25.6Very low27.1Very low120 Ų120157.2 Ų157.274%0.73678%0.779SS**  trans-169101.716130000109.7P304P304-T306 PolarHBondContact O-N 3.11Å
307E29.8Very low27.2Very low189 Ų189151.8 Ų151.888%0.88377%0.774SS**  trans-157.1114.5134.7-108170.4-145.800107.6Y309E307-Y309 PolarHBondContact O-N 3.03Å
308Q28.1Very low27.2Very low174 Ų174150.4 Ų150.481%0.81378%0.775SS**  trans-59.6131.3-173.5-72.8161.6-59.500110.1N310Q308-N310 PolarHBondContact O-N 3.35Å
309Y26.3Very low27.2Very low229 Ų229145.8 Ų145.890%0.89877%0.766SS**  trans-55.5100.3162.9-83.8-98.5000108.8E307 H311E307-Y309 PolarHBondContact O-N 3.03Å; Y309-H311 VanDerWaalsContact C-N 3.31Å; Y309-H311 PolarHBondContact O-N 2.98Å
310N29Very low27.4Very low146 Ų146144.9 Ų144.978%0.78177%0.765SS**  trans-67.796.7166.3-79.8-23.2000107.7Q308 V312Q308-N310 PolarHBondContact O-N 3.35Å; N310-V312 VanDerWaalsContact C-N 3.32Å; N310-V312 PolarHBondContact O-N 3.29Å
311H27.1Very low27.7Very low175 Ų175144.3 Ų144.381%0.8176%0.763SS**  trans-59.896.1164-118.2-55000107.4Y309 E313Y309-H311 VanDerWaalsContact C-N 3.31Å; Y309-H311 PolarHBondContact O-N 2.98Å; H311-E313 VanDerWaalsContact C-N 3.35Å; H311-E313 PolarHBondContact O-N 2.92Å
312V26.8Very low27.9Very low120 Ų120145.8 Ų145.873%0.72777%0.766SS**  trans-73.598.7165.7179.10000105.9N310 T314N310-V312 VanDerWaalsContact C-N 3.32Å; N310-V312 PolarHBondContact O-N 3.29Å; V312-T314 PolarHBondContact O-N 3.05Å
313E28.8Very low27.9Very low152 Ų152149.5 Ų149.571%0.7177%0.771SS**  trans-60.598.8169.2-71.8-177.1160.800108.7H311 H315H311-E313 VanDerWaalsContact C-N 3.35Å; H311-E313 PolarHBondContact O-N 2.92Å; E313-H315 PolarHBondContact O-N 3.3Å; E313-H315 VanDerWaalsContact O-N 3.1Å
314T28.7Very low28.1Very low102 Ų102149.2 Ų149.263%0.62677%0.772SS**  trans-72.3102.1166.347.60000107.8V312 Y316V312-T314 PolarHBondContact O-N 3.05Å; T314-Y316 WeakPolarHBondContact O-CD2 3.1Å; T314-Y316 PolarHBondContact O-N 3.18Å
315H25.9Very low28.3Very low170 Ų170148.9 Ų148.979%0.78777%0.77SS**  trans-56.998.1169.2-64.8-65.5000109.9E313 G317E313-H315 PolarHBondContact O-N 3.3Å; E313-H315 VanDerWaalsContact O-N 3.1Å; H315-G317 PolarHBondContact O-N 3.16Å
316Y28.9Very low28.4Very low212 Ų212151.1 Ų151.183%0.83177%0.774SS**  trans-70.3109.3161.9-77.9-84.6000107.3T314 S318T314-Y316 WeakPolarHBondContact O-CD2 3.1Å; T314-Y316 PolarHBondContact O-N 3.18Å; Y316-S318 PolarHBondContact O-N 3.29Å; Y316-S318 VanDerWaalsContact O-N 3.09Å
317G27.1Very low28.7Very low74 Ų74154 Ų15476%0.76378%0.779SS**  trans-53.5115.9170.700000109.5H315 G319H315-G317 PolarHBondContact O-N 3.16Å; G317-G319 VanDerWaalsContact C-N 3.29Å; G317-G319 PolarHBondContact O-N 3.12Å
318S28.3Very low28.7Very low110 Ų110152.6 Ų152.677%0.76978%0.776SS**  trans-6586.9174-174.50000109.2Y316 D320Y316-S318 PolarHBondContact O-N 3.29Å; Y316-S318 VanDerWaalsContact O-N 3.09Å; S318-D320 PolarHBondContact O-N 3.34Å
319G26.2Very low28.8Very low64 Ų64151.7 Ų151.766%0.6678%0.775SS**  trans-79.4105165.600000109G317 D321G317-G319 VanDerWaalsContact C-N 3.29Å; G317-G319 PolarHBondContact O-N 3.12Å; G319-D321 PolarHBondContact O-N 2.82Å
320D30.3Very low29Very low125 Ų125148.1 Ų148.167%0.66877%0.772SS**  trans-63.574.4173.3-89.6-41.9000111.9S318 H322S318-D320 PolarHBondContact O-N 3.34Å; D320-H322 PolarHBondContact O-N 3.46Å
321D32.3Very low28.9Very low143 Ų143149 Ų14977%0.76577%0.771SS**  trans-89.890.3166.3-82.2-26000109.2G319 Y323G319-D321 PolarHBondContact O-N 2.82Å; D321-Y323 PolarHBondContact O-N 3.08Å
322H30.6Very low29.1Very low160 Ų160145.8 Ų145.874%0.74177%0.769SS**  trans-57.289.2174.1-73.3-0.3000112.3D320 Q324D320-H322 PolarHBondContact O-N 3.46Å; H322-Q324 PolarHBondContact O-N 3.31Å; H322-Q324 VanDerWaalsContact O-N 3.16Å
323Y26.6Very low29.3Very low222 Ų222151.7 Ų151.787%0.87178%0.778SS**  trans-73.597.9166.8-99.6-95.9000110.3D321 P325D321-Y323 PolarHBondContact O-N 3.08Å; Y323-P325 WeakPolarHBondContact O-CD 3.36Å
324Q29.8Very low29.3Very low170 Ų170155.4 Ų155.479%0.79479%0.785SS**  trans-74.7120.2166.3-81-99.1-22.500110.1H322 K326H322-Q324 PolarHBondContact O-N 3.31Å; H322-Q324 VanDerWaalsContact O-N 3.16Å; Q324-K326 PolarHBondContact O-N 3.23Å
325P30.2Very low29.4Very low115 Ų115159.4 Ų159.475%0.74779%0.794SS**  trans-72.8111-179.226.9-30.9000110.8Y323 Q327Y323-P325 WeakPolarHBondContact O-CD 3.36Å; P325-Q327 PolarHBondContact O-N 3.1Å
326K30.4Very low29.7Very low202 Ų202158.6 Ų158.688%0.87879%0.794SS**  trans-67.5121.4173-79.4-179.1178.2174.30110.3Q324Q324-K326 PolarHBondContact O-N 3.23Å
327Q31.2Very low29.6Very low180 Ų180156.6 Ų156.684%0.84179%0.79SS**  trans-51.6137.6-179.8-69.7172.9-6.700113P325 I329P325-Q327 PolarHBondContact O-N 3.1Å; Q327-I329 PolarHBondContact O-N 3.15Å; Q327-I329 VanDerWaalsContact O-N 3.12Å
328I29.4Very low29.9Very low160 Ų160164.5 Ų164.582%0.82180%0.797SS**  trans-6999.8179.8-60.7162.6000108.3N330I328-N330 PolarHBondContact O-N 3.22Å
329I31.1Very low29.9Very low154 Ų154166.3 Ų166.379%0.7980%0.797SS**  trans-79.4117.6170.3-62.9170.5000107.6Q327 E331Q327-I329 PolarHBondContact O-N 3.15Å; Q327-I329 VanDerWaalsContact O-N 3.12Å; I329-E331 PolarHBondContact O-N 2.99Å
330N30.3Very low30Very low154 Ų154167 Ų16782%0.82481%0.805SS**  trans-5396.2178.6-73.5-42.5000112.4I328 S332I328-N330 PolarHBondContact O-N 3.22Å; N330-S332 PolarHBondContact O-N 2.86Å
331E27.8Very low30.4Very low165 Ų165164.8 Ų164.877%0.77180%0.799SS**  trans-75.8118.2168.7-78.2-173.2167.400110I329 R333I329-E331 PolarHBondContact O-N 2.99Å; E331-R333 PolarHBondContact O-N 2.81Å
332S30.4Very low30.4Very low108 Ų108164.5 Ų164.576%0.75580%0.797SS**  trans-66.6121.2-177.259.20000112.1N330 R334N330-S332 PolarHBondContact O-N 2.86Å; S332-R334 PolarHBondContact O-N 3.34Å
333R29.9Very low30.7Very low243 Ų243163.7 Ų163.792%0.91780%0.798SS**  trans-63.699.3176.1-69.7-178.2-178.3-176.71.1110.5E331 K335E331-R333 PolarHBondContact O-N 2.81Å; R333-K335 PolarHBondContact O-N 2.83Å
334R28.9Very low31Very low231 Ų231162.8 Ų162.887%0.87279%0.793SS**  trans-66.2111.8169-74.6-175.5-176.2-179.70.9109.9S332 I336S332-R334 PolarHBondContact O-N 3.34Å; R334-I336 PolarHBondContact O-N 3.37Å
335K31.7Very low31.1Very low185 Ų185161.6 Ų161.680%0.80479%0.789SS**  trans-70.5114.8170.1-72.7179.2177177.80109.4R333R333-K335 PolarHBondContact O-N 2.83Å
336I31.5Very low31.4Very low153 Ų153163 Ų16379%0.78579%0.788SS**  trans-85.4109174.6-59.4170.2000107.7R334 R338R334-I336 PolarHBondContact O-N 3.37Å; I336-R338 PolarHBondContact O-N 2.94Å
337F27.6Very low31.5Very low171 Ų171160.3 Ų160.375%0.7578%0.783SS**  trans-71.8114.7172.5-73.4-91.3000109.7N339F337-N339 PolarHBondContact O-N 3.38Å; F337-N339 VanDerWaalsContact O-N 3.15Å
338R32.9Very low31.7Very low240 Ų240158.5 Ų158.591%0.90678%0.778SS**  trans-81.382.7170.8-68.9-174.5178.1178.90.3108.7I336 G340I336-R338 PolarHBondContact O-N 2.94Å; R338-G340 PolarHBondContact O-N 3.07Å
339N29.7Very low31.8Very low147 Ų147160.2 Ų160.279%0.78678%0.78SS**  trans-71.2122.8167.4-71-11.4000108.6F337F337-N339 PolarHBondContact O-N 3.38Å; F337-N339 VanDerWaalsContact O-N 3.15Å
340G27.4Very low32Very low79 Ų79161.1 Ų161.181%0.81478%0.778SS**  trans-59138.4-176.500000113.5R338R338-G340 PolarHBondContact O-N 3.07Å
341S39.8Very low32.1Very low79 Ų79159.6 Ų159.655%0.55278%0.776SS**  trans-144.224.9159.4-173.10000111.5D343S341-D343 VanDerWaalsContact C-N 3.34Å
342L31.4Very low32.2Very low137 Ų137163.6 Ų163.672%0.71778%0.784SS**SBendtrans-77.9-24.7172.2-128.1143.3000111.2R344 M345L342-R344 VanDerWaalsContact C-N 3.28Å; L342-R344 PolarHBondContact O-N 3.4Å; L342-M345 PolarHBondContact O-N 2.84Å
343D37.5Very low32.2Very low142 Ų142163.6 Ų163.676%0.75978%0.784SS**THydrogen-bonded Turntrans-67.2-21.7176.6-81-19.7000114.7S341 M345S341-D343 VanDerWaalsContact C-N 3.34Å; D343-M345 VanDerWaalsContact C-N 3.3Å; D343-M345 PolarHBondContact O-N 3.2Å
344R32.9Very low32.2Very low204 Ų204163 Ų16377%0.7778%0.782SS**THydrogen-bonded Turntrans-74.9-21177.1-67.3-168.2-152.9-151.34.3113.2L342L342-R344 VanDerWaalsContact C-N 3.28Å; L342-R344 PolarHBondContact O-N 3.4Å
345M32.1Very low32.2Very low145 Ų145161 Ų16171%0.71478%0.782SS**THydrogen-bonded Turntrans-82.7-25.5-174.8-153.717671.200112.6L342 D343 N347L342-M345 PolarHBondContact O-N 2.84Å; D343-M345 VanDerWaalsContact C-N 3.3Å; D343-M345 PolarHBondContact O-N 3.2Å; M345-N347 VanDerWaalsContact C-N 3.3Å; M345-N347 PolarHBondContact O-N 3.15Å
346M35.7Very low32.1Very low145 Ų145158.6 Ų158.671%0.71478%0.783SS**THydrogen-bonded Turntrans-77-13-179-66.3-63.1-123.700114
347N32.8Very low32.1Very low144 Ų144162.4 Ų162.477%0.7779%0.787SS**THydrogen-bonded Turntrans-95.14.2-175.3-79-11.7000115.6M345 K349M345-N347 VanDerWaalsContact C-N 3.3Å; M345-N347 PolarHBondContact O-N 3.15Å; N347-K349 PolarHBondContact O-N 2.98Å
348L34.4Very low32.3Very low142 Ų142165.1 Ų165.174%0.74379%0.793SS**  trans-97.665.2175.2-75.7160.4000111.6K350L348-K350 PolarHBondContact O-N 3.37Å
349K32.4Very low32.1Very low197 Ų197165.4 Ų165.486%0.85779%0.794SS**  trans-73.357.3164.7-75.4-174.2176.8178.60111.5N347N347-K349 PolarHBondContact O-N 2.98Å
350K34.3Very low32.3Very low173 Ų173165.7 Ų165.775%0.75280%0.795SS**  trans-108.6115.9166.3-81.7-172.9177.2-179.20109.6L348 W352L348-K350 PolarHBondContact O-N 3.37Å; K350-W352 PolarHBondContact O-N 2.75Å
351P33.8Very low32.5Very low122 Ų122167.1 Ų167.179%0.79279%0.793SS**  trans-61.7133177.624.4-30.5000109.2S353P351-S353 PolarHBondContact O-N 3.46Å
352W28.6Very low32Very low249 Ų249171 Ų17194%0.94381%0.806SS**  trans-62107.2179.5-73.935.5000108.9K350 R354K350-W352 PolarHBondContact O-N 2.75Å; W352-R354 PolarHBondContact O-N 3.1Å
353S30.5Very low32.2Very low108 Ų108169.8 Ų169.876%0.75581%0.807SS**  trans-65.9118.6175.1-173.60000109P351 H355P351-S353 PolarHBondContact O-N 3.46Å; S353-H355 PolarHBondContact O-N 3.26Å
354R29.7Very low31.8Very low231 Ų231169.2 Ų169.287%0.87281%0.809SS**  trans-65.1114.2174.4-74.2-178-179.7-170.20.8108.1W352 V356W352-R354 PolarHBondContact O-N 3.1Å; R354-V356 PolarHBondContact O-N 3.2Å
355H29.4Very low31.8Very low188 Ų188165.9 Ų165.987%0.8781%0.811SS**  trans-56.9106.6171.7-83.1-64.9000110.4S353 R357S353-H355 PolarHBondContact O-N 3.26Å; H355-R357 PolarHBondContact O-N 2.75Å
356V29.2Very low32Very low135 Ų135165.7 Ų165.782%0.81881%0.813SS**  trans-70.2109.1169177.40000107.4R354 R358R354-V356 PolarHBondContact O-N 3.2Å; V356-R358 PolarHBondContact O-N 3.2Å
357R32.2Very low31.8Very low232 Ų232167.3 Ų167.388%0.87582%0.819SS**  trans-64.4113.3174.5-71.3-179.5-178.3178.8-0.9108.8H355 R359H355-R357 PolarHBondContact O-N 2.75Å; R357-R359 PolarHBondContact O-N 2.95Å
358R31.3Very low31.9Very low229 Ų229168 Ų16886%0.86482%0.821SS**  trans-60.9118.1168.2-69.3-175.7178.2-180-1.1107.6V356 N360V356-R358 PolarHBondContact O-N 3.2Å; R358-N360 PolarHBondContact O-N 3.15Å; R358-N360 VanDerWaalsContact O-N 3.16Å
359R29.8Very low31.8Very low245 Ų245168.5 Ų168.593%0.92583%0.825SS**  trans-66.3109.5168.7-75.7179.6177.2166.3-1.7106.3R357 S361R357-R359 PolarHBondContact O-N 2.95Å; R359-S361 PolarHBondContact O-N 3.38Å
360N32.4Very low31.9Very low154 Ų154164.6 Ų164.682%0.82481%0.814SS**  trans-64.4103.5169.7-66.3-17.9000106.9R358 L362R358-N360 PolarHBondContact O-N 3.15Å; R358-N360 VanDerWaalsContact O-N 3.16Å; N360-L362 PolarHBondContact O-N 2.84Å
361S33.2Very low31.9Very low109 Ų109162.1 Ų162.176%0.76282%0.815SS**PPolyproline II helixtrans-66.5124.4166.547.20000108R359R359-S361 PolarHBondContact O-N 3.38Å
362L29.6Very low32.1Very low159 Ų159163.2 Ų163.283%0.83282%0.815SS**PPolyproline II helixtrans-59.3138.7175.6-142.576.6000109.3N360 T364N360-L362 PolarHBondContact O-N 2.84Å; L362-T364 PolarHBondContact O-N 3.07Å
363P34.8Very low32.3Very low113 Ų113159.6 Ų159.673%0.73481%0.808SS**PPolyproline II helixtrans-63.3122.3175.2-14.427.5000109.6T365P363-T365 PolarHBondContact O-N 3.23Å
364T28.7Very low32.5Very low129 Ų129161.6 Ų161.679%0.79181%0.808SS**  trans-62.6113168.433.30000108.6L362 D366L362-T364 PolarHBondContact O-N 3.07Å; T364-D366 PolarHBondContact O-N 3.36Å
365T33.7Very low32.7Very low135 Ų135157.9 Ų157.983%0.82880%0.804SS**  trans-73.1115.7170.9-42.50000107.7P363 Q367P363-T365 PolarHBondContact O-N 3.23Å; T365-Q367 PolarHBondContact O-N 2.86Å
366D35.3Very low32.8Very low140 Ų140155 Ų15575%0.74980%0.8SS**  trans-57.1131.7176.8-71.8-44.2000110.4T364 L368T364-D366 PolarHBondContact O-N 3.36Å; D366-L368 PolarHBondContact O-N 3.23Å
367Q32.7Very low32.7Very low179 Ų179155.3 Ų155.384%0.83680%0.796SS**  trans-64.499.9176.3-68.1176.9-5.300109.2T365T365-Q367 PolarHBondContact O-N 2.86Å
368L34Very low32.7Very low158 Ų158148.6 Ų148.683%0.82778%0.783SS**  trans-95.7108.3161.6-121.196.4000108.9D366 D370D366-L368 PolarHBondContact O-N 3.23Å; L368-D370 PolarHBondContact O-N 2.89Å; L368-D370 VanDerWaalsContact O-N 3.16Å
369N33Very low32.5Very low154 Ų154144 Ų14482%0.82478%0.78SS**  trans-67.898.1168.4-68.5-39.1000108.9
370D33.5Very low32.4Very low115 Ų115140.7 Ų140.762%0.61577%0.773SS**  trans-139.9120.4161.7-137.6-17.2000109.8L368 N372L368-D370 PolarHBondContact O-N 2.89Å; L368-D370 VanDerWaalsContact O-N 3.16Å; D370-N372 PolarHBondContact O-N 3.37Å
371P34.2Very low32.2Very low121 Ų121142.8 Ų142.879%0.78678%0.775SS**  trans-87.415.9-163.523.1-14.4000116.2
372N38.6Very low32.1Very low145 Ų145144.8 Ų144.878%0.77578%0.776SS**  trans-105.433.6-173.8-75.4-17.3000115.7D370 I374D370-N372 PolarHBondContact O-N 3.37Å; N372-I374 PolarHBondContact O-N 3.22Å; N372-I374 VanDerWaalsContact O-N 3.09Å
373H33.1Very low32.2Very low172 Ų172140.6 Ų140.680%0.79676%0.764SS**  trans-80.394.5176.7-82.1-47.8000113.1I375H373-I375 PolarHBondContact O-N 2.89Å
374I33.3Very low32Very low150 Ų150142.9 Ų142.977%0.76977%0.77SS**  trans-60.4121.4152.5-65.8173.3000107.7N372 T376N372-I374 PolarHBondContact O-N 3.22Å; N372-I374 VanDerWaalsContact O-N 3.09Å; I374-T376 PolarHBondContact O-N 3.24Å; I374-T376 PolarHBondContact O-OG1 3.43Å
375I34.2Very low32Very low154 Ų154144.7 Ų144.779%0.7977%0.77SS**  trans-59.292.2-176.9-55.6164.2000109H373H373-I375 PolarHBondContact O-N 2.89Å
376T31.4Very low31.9Very low127 Ų127145.5 Ų145.578%0.77976%0.762SS**  trans-97.1104.7167.6-30.30000106.9I374I374-T376 PolarHBondContact O-N 3.24Å; I374-T376 PolarHBondContact O-OG1 3.43Å
377L28.2Very low31.6Very low141 Ų141146.3 Ų146.374%0.73877%0.767SS**  trans-53.8127.5-179.1-147.981.7000109.6T379L377-T379 PolarHBondContact O-N 3.42Å; L377-T379 VanDerWaalsContact O-N 3.1Å
378P32.1Very low31.4Very low91 Ų91144.7 Ų144.759%0.59176%0.763SS**  trans-70111.3-177.525.6-31.3000110.2F380P378-F380 HydrophobicContact CG-CE2 4.44Å; P378-F380 WeakPolarHBondContact O-CD2 3.45Å; P378-F380 PolarHBondContact O-N 3.13Å
379T25.9Very low31.2Very low132 Ų132145.1 Ų145.181%0.8176%0.759SS**  trans-64.1103.1166-55.20000108.3L377 K381L377-T379 PolarHBondContact O-N 3.42Å; L377-T379 VanDerWaalsContact O-N 3.1Å; T379-K381 PolarHBondContact O-N 2.88Å
380F28.9Very low31.2Very low177 Ų177144.3 Ų144.378%0.77675%0.753SS**  trans-63.196.2173.7-69.8-88.2000109.8P378 L382P378-F380 HydrophobicContact CG-CE2 4.44Å; P378-F380 WeakPolarHBondContact O-CD2 3.45Å; P378-F380 PolarHBondContact O-N 3.13Å; F380-L382 PolarHBondContact O-N 3.21Å; F380-L382 VanDerWaalsContact O-N 3.1Å
381K28Very low31Very low197 Ų197147.5 Ų147.586%0.85776%0.764SS**  trans-70.298.5159.5-80.7-177.6176.6177.40107T379 A383T379-K381 PolarHBondContact O-N 2.88Å; K381-A383 VanDerWaalsContact C-N 3.3Å; K381-A383 PolarHBondContact O-N 2.95Å
382L30.6Very low31.1Very low151 Ų151151 Ų15179%0.79177%0.768SS**  trans-59.393.9168.2-80.5154.9000108.2F380F380-L382 PolarHBondContact O-N 3.21Å; F380-L382 VanDerWaalsContact O-N 3.1Å
383A31.7Very low30.5Very low71 Ų71146.8 Ų146.859%0.58776%0.759SS**  trans-68.8144.7171.300000109.6K381 E385K381-A383 VanDerWaalsContact C-N 3.3Å; K381-A383 PolarHBondContact O-N 2.95Å; A383-E385 PolarHBondContact O-N 3.43Å
384N30.9Very low30.3Very low161 Ų161144.7 Ų144.786%0.86176%0.758SS**SBendtrans-6541.1-173.8-71.2-24.4000115.4F386N384-F386 PolarHBondContact O-N 3.06Å
385E29.2Very low30.3Very low167 Ų167143.1 Ų143.178%0.7876%0.757SS**  trans-90.610.3-174.8-74.2-167.8155.600115.3A383 D387A383-E385 PolarHBondContact O-N 3.43Å; E385-D387 PolarHBondContact O-N 3.09Å
386F31.6Very low30.2Very low153 Ų153143.2 Ų143.267%0.67176%0.758SS**THydrogen-bonded Turntrans-89.618.3179.9-73.2-71.3000115.7N384 N388 F389N384-F386 PolarHBondContact O-N 3.06Å; F386-N388 PolarHBondContact O-N 2.83Å; F386-F389 HydrophobicContact CD1-CE2 4.37Å
387D28.1Very low30.2Very low157 Ų157146.7 Ų146.784%0.8476%0.762SS**THydrogen-bonded Turntrans-77.65.4173.8-86.7-18.3000114.4E385E385-D387 PolarHBondContact O-N 3.09Å
388N28.6Very low30.4Very low144 Ų144151.2 Ų151.277%0.7777%0.77SS**  trans-104.938.4179.3-72-37.8000113.7F386 I390F386-N388 PolarHBondContact O-N 2.83Å; N388-I390 VanDerWaalsContact C-N 3.29Å; N388-I390 PolarHBondContact O-N 3.13Å
389F30.2Very low30.4Very low167 Ų167151.6 Ų151.673%0.73278%0.78SS**  trans-72.390.8165.2-93.2-83.6000109.9F386 E391F386-F389 HydrophobicContact CD1-CE2 4.37Å; F389-E391 PolarHBondContact O-N 3.25Å
390I32.4Very low30.7Very low137 Ų137149.2 Ų149.270%0.70377%0.769SS**  trans-56.6108.9168.4-63.7167.7000107.8N388 F392N388-I390 VanDerWaalsContact C-N 3.29Å; N388-I390 PolarHBondContact O-N 3.13Å; I390-F392 WeakPolarHBondContact O-CD2 3.19Å; I390-F392 PolarHBondContact O-N 3.38Å; I390-F392 VanDerWaalsContact O-N 3.1Å
391E30.1Very low30.8Very low182 Ų182146.7 Ų146.785%0.8577%0.774SS**  trans-47.9110171.8-164.8173.5-165.200109.8F389 G393F389-E391 PolarHBondContact O-N 3.25Å; E391-G393 PolarHBondContact O-N 3.44Å
392F35.4Very low30.8Very low195 Ų195146.3 Ų146.386%0.85577%0.768SS**  trans-72.964175.8-70.9-88.3000110.1I390 T394I390-F392 WeakPolarHBondContact O-CD2 3.19Å; I390-F392 PolarHBondContact O-N 3.38Å; I390-F392 VanDerWaalsContact O-N 3.1Å; F392-T394 PolarHBondContact O-N 2.77Å
393G27.7Very low30.9Very low57 Ų57146.3 Ų146.359%0.58877%0.768SS**  trans-77.1112.9171.200000110E391 P395E391-G393 PolarHBondContact O-N 3.44Å; G393-P395 WeakPolarHBondContact O-CD 3.41Å
394T28.3Very low30.9Very low128 Ų128151.1 Ų151.179%0.78578%0.784SS**  trans-54120.8167.5-13.80000108.5F392 I396F392-T394 PolarHBondContact O-N 2.77Å; T394-I396 PolarHBondContact O-N 3.42Å
395P32.1Very low30.7Very low116 Ų116148.2 Ų148.275%0.75378%0.776SS**  trans-67.1104.9177.723.7-30.1000109.1G393 K397G393-P395 WeakPolarHBondContact O-CD 3.41Å; P395-K397 VanDerWaalsContact C-N 3.33Å; P395-K397 PolarHBondContact O-N 3.06Å
396I32.4Very low30.7Very low157 Ų157147.9 Ų147.981%0.80578%0.78SS**  trans-64.197168.9-58.3170.7000106.5T394 R398T394-I396 PolarHBondContact O-N 3.42Å; I396-R398 PolarHBondContact O-N 3.18Å
397K32.7Very low30.5Very low199 Ų199149.4 Ų149.487%0.86579%0.789SS**  trans-64.6106.1169.1-84.9-175176-1800107P395 A399P395-K397 VanDerWaalsContact C-N 3.33Å; P395-K397 PolarHBondContact O-N 3.06Å; K397-A399 PolarHBondContact O-N 2.6Å; K397-A399 VanDerWaalsContact O-N 3.09Å
398R30.7Very low30.5Very low236 Ų236150.9 Ų150.989%0.89179%0.791SS**  trans-57115.5169.6-63.2-179-170.31543.5107.1I396 S400I396-R398 PolarHBondContact O-N 3.18Å; R398-S400 PolarHBondContact O-N 2.78Å; R398-S400 VanDerWaalsContact O-N 3.07Å
399A33.2Very low30.3Very low99 Ų99150.9 Ų150.982%0.81879%0.79SS**  trans-54.9116.617100000107.9K397 S401K397-A399 PolarHBondContact O-N 2.6Å; K397-A399 VanDerWaalsContact O-N 3.09Å; A399-S401 PolarHBondContact O-N 3.3Å
400S32.6Very low30.4Very low83 Ų83148.2 Ų148.258%0.5879%0.791SS**  trans-63.9121170.545.90000107.8R398 Y402R398-S400 PolarHBondContact O-N 2.78Å; R398-S400 VanDerWaalsContact O-N 3.07Å; S400-Y402 VanDerWaalsContact C-N 3.25Å; S400-Y402 PolarHBondContact O-N 3.4Å; S400-Y402 WeakPolarHBondContact OG-CD2 3.46Å; S400-Y402 VanDerWaalsContact OG-CE2 3.31Å; S400-Y402 WeakPolarHBondContact OG-CE2 3.47Å
401S31Very low30.1Very low124 Ų124150.1 Ų150.187%0.86780%0.797SS**  trans-62.184.9171.253.10000109.9A399A399-S401 PolarHBondContact O-N 3.3Å
402Y28Very low30.1Very low189 Ų189149.2 Ų149.274%0.74180%0.797SS**  trans-98146.6156.7-69.2-83.8000106.6S400S400-Y402 VanDerWaalsContact C-N 3.25Å; S400-Y402 PolarHBondContact O-N 3.4Å; S400-Y402 WeakPolarHBondContact OG-CD2 3.46Å; S400-Y402 VanDerWaalsContact OG-CE2 3.31Å; S400-Y402 WeakPolarHBondContact OG-CE2 3.47Å
403L33Very low29.8Very low151 Ų151146 Ų14679%0.79179%0.794SS**  trans93.653.4-179.3-44.9-179.3000116.1
404N30.5Very low29.9Very low172 Ų172149 Ų14992%0.9280%0.803SS**  trans-11693.4139.8-83.6-10.4000105.9
405S27.6Very low29.9Very low100 Ų100152.5 Ų152.570%0.69981%0.81SS**  trans-118.179.8169.756.10000107
406D29.7Very low29.6Very low160 Ų160156.7 Ų156.786%0.85682%0.816SS**  trans-134104160.6-74.8-42.7000106.5E408D406-E408 PolarHBondContact O-N 3.29Å
407E27.3Very low29.4Very low185 Ų185159.4 Ų159.486%0.86482%0.822SS**  trans-64.7103.4167.6-72.8172135.500108.6
408E27.7Very low29Very low187 Ų187159 Ų15987%0.87482%0.823SS**  trans-118101.9154.7-86-168.3162.700109.6D406 S410D406-E408 PolarHBondContact O-N 3.29Å; E408-S410 PolarHBondContact O-N 3.12Å
409I24.9Very low28.8Very low145 Ų145153.3 Ų153.374%0.74482%0.818SS**  trans-73.2110.2170.3-61.6161.1000106.9Q411I409-Q411 HydrophobicContact CG2-CG 4.38Å
410S30.5Very low28.5Very low110 Ų110154.8 Ų154.877%0.76982%0.817SS**  trans-131.598.516356.60000109.9E408E408-S410 PolarHBondContact O-N 3.12Å
411Q27.3Very low28.1Very low177 Ų177158.2 Ų158.283%0.82783%0.829SS**  trans-72.2116.1171.8-64.8172.7-700109.9I409I409-Q411 HydrophobicContact CG2-CG 4.38Å
412I30.1Very low28Very low164 Ų164160 Ų16084%0.84183%0.829SS**  trans-139.7125.2157-57.5-179.1000109.3
413T28.8Very low28Very low128 Ų128157 Ų15779%0.78583%0.826SS**PPolyproline II helixtrans-80.6162.5-167.618.50000114.8
414P28.8Very low27.9Very low120 Ų120156.6 Ų156.678%0.77982%0.824SS**PPolyproline II helixtrans-100132.4-163.835.9-29.7000114.3
415H28.4Very low27.7Very low201 Ų201154.3 Ų154.393%0.93181%0.812SS**PPolyproline II helixtrans-102117.4169.6-88.6-74000112.7
416K26.6Very low27.7Very low204 Ų204156.4 Ų156.489%0.88782%0.815SS**PPolyproline II helixtrans-71.9133.3169.9-123.5175.2179.1177.60110.3
417K28.7Very low27.7Very low214 Ų214156.3 Ų156.393%0.9381%0.813SS**  trans-141123.9155-80.3-167.9176.5178.50111.5
418Q24.5Very low27.6Very low190 Ų190156.7 Ų156.789%0.88882%0.815SS**  trans-75.5149.8169.7-97.9166.3-31.900111.1
419C25.4Very low27.7Very low117 Ų117155.3 Ų155.379%0.79181%0.812SS**  trans-175.4101.4147.8-102.40000107.5
420T26.9Very low27.8Very low130 Ų130160 Ų16080%0.79882%0.82SS**  69109.492500000115.9
421N25.5Very low27.6Very low154 Ų154163.9 Ų163.982%0.82483%0.826SS**  trans-23.3145.3158-67.6-18.6000116.8
422N28.9Very low27.8Very low161 Ų161164.4 Ų164.486%0.86183%0.829SS**  -149.5133.8127.8-128.6-9.4000113.3
423N27.4Very low27.5Very low127 Ų127166.3 Ų166.368%0.67983%0.831SS**  trans-69.3157.4173.3-77-29.7000111.4
424N29.9Very low27.6Very low143 Ų143170.9 Ų170.977%0.76584%0.835SS**  trans175.6107.9132-85.4-19.7000108
425N27.9Very low27.5Very low123 Ų123174.9 Ų174.966%0.65884%0.843SS**  64.79686.1-67.8-10.4000111.4
426N26.7Very low27.6Very low145 Ų145170.5 Ų170.578%0.77584%0.836SS**  75.496.190.6-74.6-7.7000112.9
427I30.7Very low27.9Very low158 Ų158168.7 Ų168.781%0.8183%0.834SS**  trans-143.6109.8147.6-56.7-177.1000108.2I429I427-I429 HydrophobicContact CG2-CG1 4.22Å
428E24.8Very low27.9Very low193 Ų193170 Ų17090%0.90283%0.833SS**  trans-83.7128.6172.7-65.6175.6148.300109.5
429I29.5Very low28.2Very low157 Ų157170 Ų17081%0.80583%0.83SS**  trans-122127170.3-59.6178.8000109.5I427I427-I429 HydrophobicContact CG2-CG1 4.22Å
430R26.9Very low28.5Very low245 Ų245170.1 Ų170.193%0.92583%0.83SS**  trans-64.2135.2-166.6-138.5170.4-176.8174.40112.7
431Q27Very low28.7Very low191 Ų191173.3 Ų173.389%0.89383%0.832SS**  trans-79.9132.1-176.8-61.8169-2.900111.5
432Q30.1Very low29Very low188 Ų188173.2 Ų173.288%0.87983%0.83SS**  trans-116.6128.9163-83.5-176.2-15.500110.3
433K24.8Very low29.1Very low203 Ų203172.3 Ų172.388%0.88382%0.824SS**  trans-68.5123-174.7-73.4172.2171179.30111.3
434Y29.9Very low29.2Very low225 Ų225171.9 Ų171.988%0.88283%0.826SS**  trans-128.7112.8152.2-92.5-85.1000108.8S436Y434-S436 PolarHBondContact O-N 2.94Å
435E27.1Very low29.4Very low203 Ų203173.4 Ų173.495%0.94983%0.826SS**  trans-72.3103.8169.2-79.2177.1146.300108.6
436S31Very low29.5Very low110 Ų110179 Ų17977%0.76984%0.838SS**  trans-120.5126.8166.9-169.50000109.7Y434 R438Y434-S436 PolarHBondContact O-N 2.94Å; S436-R438 PolarHBondContact O-N 2.73Å
437I32.2Very low29.7Very low166 Ų166181.5 Ų181.585%0.85184%0.836SS**  trans-57119.5-169.8-64.6158.3000110.2K439I437-K439 PolarHBondContact O-N 2.73Å; I437-K439 VanDerWaalsContact O-N 3.11Å
438R29.3Very low30Very low242 Ų242178 Ų17891%0.91383%0.83SS**  trans-65.6103.5-174-68.8177179.2173.50.3111.4S436S436-R438 PolarHBondContact O-N 2.73Å
439K30.5Very low30.5Very low189 Ų189175 Ų17582%0.82282%0.821SS**  trans-78.8131.9154.6-73.8-176-179.51790109I437 K441I437-K439 PolarHBondContact O-N 2.73Å; I437-K439 VanDerWaalsContact O-N 3.11Å; K439-K441 PolarHBondContact O-N 3.34Å
440P31.5Very low30.8Very low120 Ų120175.2 Ų175.278%0.77982%0.816SS**  trans-68.3108-175.227.4-32.3000109.5I442P440-I442 PolarHBondContact O-N 3.49Å
441K31.2Very low31.2Very low196 Ų196169.7 Ų169.785%0.85281%0.805SS**  trans-67.9104.3168.2-82.3179.9176.6176.10107.9K439 I443K439-K441 PolarHBondContact O-N 3.34Å; K441-I443 VanDerWaalsContact C-N 3.34Å; K441-I443 PolarHBondContact O-N 3.27Å
442I32.3Very low31.8Very low152 Ų152165.1 Ų165.178%0.77979%0.786SS**  trans-6597.6168.4-60.6170.2000106.5P440 T444P440-I442 PolarHBondContact O-N 3.49Å; I442-T444 VanDerWaalsContact C-N 3.33Å; I442-T444 PolarHBondContact O-N 3.04Å
443I30.9Very low32.2Very low143 Ų143163.5 Ų163.573%0.73378%0.778SS**  trans-68.796174.4-62.4167.5000106.6K441 K445K441-I443 VanDerWaalsContact C-N 3.34Å; K441-I443 PolarHBondContact O-N 3.27Å; I443-K445 VanDerWaalsContact C-N 3.33Å; I443-K445 PolarHBondContact O-N 2.87Å
444T29.3Very low32.6Very low118 Ų118161.7 Ų161.772%0.72477%0.773SS**  trans-64.997.6166.83.70000106.6I442 R446I442-T444 VanDerWaalsContact C-N 3.33Å; I442-T444 PolarHBondContact O-N 3.04Å; T444-R446 PolarHBondContact O-N 2.74Å
445K33.6Very low32.7Very low174 Ų174158 Ų15876%0.75776%0.764SS**  trans-6386.7169.4-73.5-179.3177.6174.30107.7I443 R447I443-K445 VanDerWaalsContact C-N 3.33Å; I443-K445 PolarHBondContact O-N 2.87Å; K445-R447 PolarHBondContact O-N 3.26Å
446R29.3Very low33Very low240 Ų240156.3 Ų156.391%0.90675%0.748SS**  trans-63.285.4161.2-74.8-174.7-179.7172.2-0.2106.6T444 A448T444-R446 PolarHBondContact O-N 2.74Å; R446-A448 PolarHBondContact O-N 3.27Å
447R32.8Very low33.2Very low199 Ų199161.2 Ų161.275%0.75175%0.75SS**  trans-67.8111.5164.5-80.4-176.7175.3164.3-1.3105.6K445 D449K445-R447 PolarHBondContact O-N 3.26Å; R447-D449 PolarHBondContact O-N 3.44Å
448A36.1Very low33.4Very low83 Ų83156.9 Ų156.969%0.68674%0.735SS**  trans-63.8103.5170.700000107.7R446 K450R446-A448 PolarHBondContact O-N 3.27Å; A448-K450 PolarHBondContact O-N 2.99Å
449D36.2Very low33.5Very low132 Ų132152.1 Ų152.171%0.70673%0.727SS**  trans-70.536.2178.3-74.3-36.8000113R447 N451R447-D449 PolarHBondContact O-N 3.44Å; D449-N451 PolarHBondContact O-N 2.67Å; D449-N451 VanDerWaalsContact O-N 3.12Å
450K35.4Very low33.7Very low161 Ų161150.3 Ų150.370%0.772%0.722SS**THydrogen-bonded Turntrans-72.1-4.3-173.2-78.3-168.9174.7-1740114.7A448A448-K450 PolarHBondContact O-N 2.99Å
451N34.1Very low33.9Very low129 Ų129146.9 Ų146.969%0.6970%0.704SS**THydrogen-bonded Turntrans-121.22.6-175.8-72.1-17.3000116.3D449 H453D449-N451 PolarHBondContact O-N 2.67Å; D449-N451 VanDerWaalsContact O-N 3.12Å; N451-H453 VanDerWaalsContact C-N 3.31Å; N451-H453 PolarHBondContact O-N 3Å
452L40.4Very low34.3Very low95 Ų95144.9 Ų144.950%0.49770%0.701SS.*Hα-helixtrans-71.6-25.6-176.8-15285.3000113.2
453H37.7Very low34.7Very low154 Ų154143.4 Ų143.471%0.71369%0.694SS**Hα-helixtrans-76.1-25.6-176.9-78.5-53.1000114.6N451N451-H453 VanDerWaalsContact C-N 3.31Å; N451-H453 PolarHBondContact O-N 3Å
454Q33.5Very low35.2Very low165 Ų165139.5 Ų139.577%0.77168%0.679SS**Hα-helixtrans-78.4-37.3177.4-103.4175.3-0.900112.5R456 R457Q454-R456 VanDerWaalsContact C-N 3.34Å; Q454-R456 PolarHBondContact O-N 3.25Å; Q454-R457 PolarHBondContact O-N 3.25Å
455Q32.6Very low35.6Very low147 Ų147138.5 Ų138.569%0.68767%0.669SS**Hα-helixtrans-74.6-24.6-176.9-139.71758.200113.1R457 S458Q455-R457 VanDerWaalsContact C-N 3.27Å; Q455-R457 PolarHBondContact O-N 3.43Å; Q455-S458 PolarHBondContact O-OG 3.34Å
456R32.8Very low36Very low167 Ų167134.5 Ų134.563%0.6366%0.655SS**Hα-helixtrans-67.5-24174.7-80.6-170.4179.2-179.82113.6Q454Q454-R456 VanDerWaalsContact C-N 3.34Å; Q454-R456 PolarHBondContact O-N 3.25Å
457R36Very low36.7Very low214 Ų214133 Ų13381%0.80865%0.65SS**Hα-helixtrans-76.3-27.2-179.4-74-169.2176.5-178.3-0.4113.7Q454 Q455Q454-R457 PolarHBondContact O-N 3.25Å; Q455-R457 VanDerWaalsContact C-N 3.27Å; Q455-R457 PolarHBondContact O-N 3.43Å
458S35.8Very low37.1Very low75 Ų75130 Ų13052%0.52464%0.644SS.*Hα-helixtrans-75.8-34.7-176.462.40000113.5Q455Q455-S458 PolarHBondContact O-OG 3.34Å
459N32.1Very low37.2Very low142 Ų142129.1 Ų129.176%0.75963%0.631SS**THydrogen-bonded Turntrans-86.2-9.3-172.1-67-2.7000114.2
460Q34.6Very low37.5Very low150 Ų150126.8 Ų126.870%0.70163%0.625SS**THydrogen-bonded Turntrans-95.7-2.6175.8-74.9-175.1-21.200113.4L462 P464Q460-L462 VanDerWaalsContact C-N 3.33Å; Q460-L462 PolarHBondContact O-N 3.05Å; Q460-P464 WeakPolarHBondContact O-CD 3.23Å
461A36.1Very low37.9Very low49 Ų49127.4 Ų127.441%0.40563%0.634SS.*THydrogen-bonded Turntrans-72.9-17.2-171.300000115.2
462L38.9Very low38.4Very low153 Ų153124.9 Ų124.980%0.80163%0.627SS**THydrogen-bonded Turntrans-81.1-16.4-176.4-71.2171.1000114.4Q460Q460-L462 VanDerWaalsContact C-N 3.33Å; Q460-L462 PolarHBondContact O-N 3.05Å
463L41.4Very low38.5Very low121 Ų121126.3 Ų126.363%0.63464%0.644SS**THydrogen-bonded Turntrans-88-41.3179.3-77.9164.4000114.1N465 L466L463-N465 VanDerWaalsContact C-N 3.32Å; L463-N465 PolarHBondContact O-N 3.1Å; L463-L466 PolarHBondContact O-N 3.31Å
464P40.2Very low38.8Very low62 Ų62122.3 Ų122.340%0.40363%0.631SS.*Hα-helixtrans-64-34.8179.9-22.832.7000113.4Q460 L466 W467 H468Q460-P464 WeakPolarHBondContact O-CD 3.23Å; P464-L466 PolarHBondContact O-N 2.91Å; P464-L466 VanDerWaalsContact O-N 3.16Å; P464-W467 PolarHBondContact O-N 3.18Å; P464-H468 PolarHBondContact O-N 2.99Å
465N37.8Very low39.6Very low97 Ų97119.8 Ų119.852%0.51963%0.627SS.*Hα-helixtrans-68.7-15.1-175.8-73.16.2000114.1L463 H468 P469L463-N465 VanDerWaalsContact C-N 3.32Å; L463-N465 PolarHBondContact O-N 3.1Å; N465-H468 WeakPolarHBondContact CA-O 3.37Å; N465-H468 CarbonylContact O-C 3.58Å; N465-H468 VanDerWaalsContact O-C 3.23Å; N465-P469 WeakPolarHBondContact O-CA 3.38Å; N465-P469 VanDerWaalsContact O-N 3.17Å
466L42.2Very low40.4Very low89 Ų89118.7 Ų118.747%0.46663%0.626SS.*Hα-helixtrans-77.7-34171.7-89.8160.3000112.3L463 P464 V485L463-L466 PolarHBondContact O-N 3.31Å; P464-L466 PolarHBondContact O-N 2.91Å; P464-L466 VanDerWaalsContact O-N 3.16Å; L466-V485 HydrophobicContact CD2-CG1 4.04Å
467W43.2Very low41.3Very low209 Ų209115.7 Ų115.779%0.79262%0.623SS**Hα-helixtrans-81.8-24175.3-59.496.8000111.4P464P464-W467 PolarHBondContact O-N 3.18Å
468H42.7Very low42.4Very low137 Ų137107.3 Ų107.363%0.63460%0.595SS**SBendtrans-135.280.3179-54.1-56.2000109.7P464 N465 S470P464-H468 PolarHBondContact O-N 2.99Å; N465-H468 WeakPolarHBondContact CA-O 3.37Å; N465-H468 CarbonylContact O-C 3.58Å; N465-H468 VanDerWaalsContact O-C 3.23Å; H468-S470 PolarHBondContact O-N 3.33Å; H468-S470 VanDerWaalsContact O-N 3.15Å
469P37.3Very low43.6Very low63 Ų63107.7 Ų107.741%0.40959%0.594SS.*  trans-56.2125.4170.222.1-30.5000108N465 I471 I482N465-P469 WeakPolarHBondContact O-CA 3.38Å; N465-P469 VanDerWaalsContact O-N 3.17Å; P469-I471 PolarHBondContact O-N 2.93Å; P469-I471 VanDerWaalsContact O-N 3.12Å; P469-I482 HydrophobicContact CG-CD1 4.46Å
470S41.9Very low45.2Very low84 Ų84108 Ų10859%0.58759%0.589SS**  trans-56.2121.1174.441.80000108.1H468 S472H468-S470 PolarHBondContact O-N 3.33Å; H468-S470 VanDerWaalsContact O-N 3.15Å; S470-S472 PolarHBondContact O-N 3.32Å
471I44.3Very low46.5Very low174 Ų174106.7 Ų106.789%0.89258%0.583SS**  trans-72.366.4-173.4-42.5154.8000108.2P469P469-I471 PolarHBondContact O-N 2.93Å; P469-I471 VanDerWaalsContact O-N 3.12Å
472S45.8Very low48Very low76 Ų76108.1 Ų108.153%0.53158%0.583SS.*  trans-82.5136.7164.856.10000108.2S470 T474S470-S472 PolarHBondContact O-N 3.32Å; S472-T474 PolarHBondContact O-N 3.24Å
473S42.2Very low49.6Very low124 Ų124106.2 Ų106.287%0.86757%0.572SS**SBendtrans-69.734.2-15648.20000116.9
474T43.9Very low51.2Low70 Ų70105.5 Ų105.543%0.42957%0.569SS.*  trans-128.189.4175.445.70000110.1S472 D476 N477 T478S472-T474 PolarHBondContact O-N 3.24Å; T474-D476 PolarHBondContact O-N 3.27Å; T474-N477 PolarHBondContact O-N 3.38Å; T474-T478 PolarHBondContact O-N 2.9Å; T474-T478 VanDerWaalsContact O-N 3.15Å; T474-T478 PolarHBondContact O-OG1 2.91Å; T474-T478 VanDerWaalsContact O-OG1 3.07Å
475T50.5Low52.7Low112 Ų112104.9 Ų104.969%0.68757%0.565SS**Hα-helixtrans-57.1-28.6-179.544.40000113.3T478 T479T475-T478 WeakPolarHBondContact CA-OG1 3.48Å; T475-T478 PolarHBondContact O-OG1 2.87Å; T475-T478 VanDerWaalsContact O-OG1 3.06Å; T475-T479 PolarHBondContact O-OG1 2.75Å
476D49.4Very low54.3Low124 Ų124103.6 Ų103.666%0.66356%0.56SS**Hα-helixtrans-81.1-31.1179.8-72.1-3.6000113.1T474 T479T474-D476 PolarHBondContact O-N 3.27Å; D476-T479 PolarHBondContact O-OG1 3.29Å
477N50.8Low55.9Low105 Ų105103.2 Ų103.256%0.56156%0.559SS**Hα-helixtrans-78.4-34177.3-82-14.6000111.6T474 H481T474-N477 PolarHBondContact O-N 3.38Å; N477-H481 WeakPolarHBondContact O-CB 3.5Å; N477-H481 PolarHBondContact O-N 3.5Å
478T58.9Low57.4Low38 Ų3895.9 Ų95.923%0.23354%0.542CS..Hα-helixtrans-66.2-43.6179.239.80000112.2T474 T475 H481 I482T474-T478 PolarHBondContact O-N 2.9Å; T474-T478 VanDerWaalsContact O-N 3.15Å; T474-T478 PolarHBondContact O-OG1 2.91Å; T474-T478 VanDerWaalsContact O-OG1 3.07Å; T475-T478 WeakPolarHBondContact CA-OG1 3.48Å; T475-T478 PolarHBondContact O-OG1 2.87Å; T475-T478 VanDerWaalsContact O-OG1 3.06Å; T478-H481 PolarHBondContact O-N 3.38Å; T478-I482 WeakPolarHBondContact O-CB 3.23Å; T478-I482 WeakPolarHBondContact O-CD1 3.35Å; T478-I482 WeakPolarHBondContact O-CG1 3.27Å; T478-I482 PolarHBondContact O-N 2.89Å
479T61.5Low58.9Low83 Ų8394.5 Ų94.551%0.50953%0.534SS..Hα-helixtrans-63.8-46176.3450000112.4T475 D476 H481 I482 L483T475-T479 PolarHBondContact O-OG1 2.75Å; D476-T479 PolarHBondContact O-OG1 3.29Å; T479-H481 VanDerWaalsContact C-N 3.33Å; T479-H481 PolarHBondContact O-N 3.47Å; T479-I482 PolarHBondContact O-N 3.22Å; T479-L483 PolarHBondContact O-N 2.92Å
480K64.8Low60.8Low147 Ų14795.8 Ų95.864%0.63954%0.537SS*.Hα-helixtrans-59.6-41.5172.7-83.3-178.6179.5172.20112.4L483 N484K480-L483 PolarHBondContact O-N 3.23Å; K480-N484 WeakPolarHBondContact O-CB 3.28Å; K480-N484 VanDerWaalsContact O-CG 3.25Å; K480-N484 PolarHBondContact O-N 3.49Å
481H63.3Low62.4Low124 Ų12496 Ų9657%0.57453%0.529SS*.Hα-helixtrans-64.8-45.6178.7-171.768.8000111.7N477 T478 T479 L483 N484 V485N477-H481 WeakPolarHBondContact O-CB 3.5Å; N477-H481 PolarHBondContact O-N 3.5Å; T478-H481 PolarHBondContact O-N 3.38Å; T479-H481 VanDerWaalsContact C-N 3.33Å; T479-H481 PolarHBondContact O-N 3.47Å; H481-L483 PolarHBondContact O-N 3.19Å; H481-N484 PolarHBondContact O-N 3.16Å; H481-V485 WeakPolarHBondContact O-CG2 3.3Å; H481-V485 PolarHBondContact O-N 3.14Å
482I68Low63.8Low79 Ų7992.7 Ų92.741%0.40551%0.509SS..Hα-helixtrans-60-46.4175.6-67.7163.3000110.2P469 T478 T479 N484 V485 V486P469-I482 HydrophobicContact CG-CD1 4.46Å; T478-I482 WeakPolarHBondContact O-CB 3.23Å; T478-I482 WeakPolarHBondContact O-CD1 3.35Å; T478-I482 WeakPolarHBondContact O-CG1 3.27Å; T478-I482 PolarHBondContact O-N 2.89Å; T479-I482 PolarHBondContact O-N 3.22Å; I482-N484 VanDerWaalsContact C-N 3.33Å; I482-N484 PolarHBondContact O-N 2.89Å; I482-V485 PolarHBondContact O-N 2.98Å; I482-V486 HydrophobicContact CG2-CG2 4.33Å; I482-V486 WeakPolarHBondContact O-CB 3.35Å; I482-V486 VanDerWaalsContact O-CG2 3.3Å; I482-V486 WeakPolarHBondContact O-CG2 3.03Å; I482-V486 PolarHBondContact O-N 3.4Å
483L72.3Confident65Low112 Ų11292.5 Ų92.559%0.58651%0.505SS*.Hα-helixtrans-60.3-42.8178.2-129.299.4000111.8T479 K480 H481 V486 N487T479-L483 PolarHBondContact O-N 2.92Å; K480-L483 PolarHBondContact O-N 3.23Å; H481-L483 PolarHBondContact O-N 3.19Å; L483-V486 PolarHBondContact O-N 2.88Å; L483-N487 WeakPolarHBondContact O-CB 3.48Å; L483-N487 VanDerWaalsContact O-CG 3.29Å; L483-N487 PolarHBondContact O-N 3.45Å; L483-N487 PolarHBondContact O-ND2 3.29Å
484N73.9Confident66.9Low106 Ų10691.6 Ų91.657%0.56749%0.486SS*.Hα-helixtrans-64.2-41.4177.6-76.1-13.3000112.1K480 H481 I482 N487 A488K480-N484 WeakPolarHBondContact O-CB 3.28Å; K480-N484 VanDerWaalsContact O-CG 3.25Å; K480-N484 PolarHBondContact O-N 3.49Å; H481-N484 PolarHBondContact O-N 3.16Å; I482-N484 VanDerWaalsContact C-N 3.33Å; I482-N484 PolarHBondContact O-N 2.89Å; N484-N487 PolarHBondContact O-N 3.06Å; N484-A488 VanDerWaalsContact O-CB 3.32Å; N484-A488 WeakPolarHBondContact O-CB 3.45Å; N484-A488 PolarHBondContact O-N 3.21Å
485V71.2Confident68.3Low50 Ų5095.7 Ų95.730%0.30349%0.493SS..Hα-helixtrans-66.5-42.7176.9173.30000110.9L466 H481 I482 A488 K489L466-V485 HydrophobicContact CD2-CG1 4.04Å; H481-V485 WeakPolarHBondContact O-CG2 3.3Å; H481-V485 PolarHBondContact O-N 3.14Å; I482-V485 PolarHBondContact O-N 2.98Å; V485-A488 PolarHBondContact O-N 3.38Å; V485-K489 WeakPolarHBondContact O-CB 3.37Å; V485-K489 PolarHBondContact O-N 2.94Å
486V72.5Confident69.5Low70 Ų7095.7 Ų95.742%0.42449%0.485SS..Hα-helixtrans-61.9-47.6176170.70000110.6I482 L483 A488 K489 I490I482-V486 HydrophobicContact CG2-CG2 4.33Å; I482-V486 WeakPolarHBondContact O-CB 3.35Å; I482-V486 VanDerWaalsContact O-CG2 3.3Å; I482-V486 WeakPolarHBondContact O-CG2 3.03Å; I482-V486 PolarHBondContact O-N 3.4Å; L483-V486 PolarHBondContact O-N 2.88Å; V486-A488 PolarHBondContact O-N 3.44Å; V486-K489 PolarHBondContact O-N 3.11Å; V486-K489 VanDerWaalsContact O-N 3.13Å; V486-I490 HydrophobicContact CG1-CD1 3.84Å; V486-I490 HydrophobicContact CG1-CG1 4.44Å; V486-I490 WeakPolarHBondContact O-CG1 3.34Å; V486-I490 PolarHBondContact O-N 2.9Å
487N76Confident70.6Confident81 Ų8193.8 Ų93.843%0.43348%0.478SS..Hα-helixtrans-61.8-42.9177.6-76.1-17.5000112.3L483 N484 K489 I490 E491L483-N487 WeakPolarHBondContact O-CB 3.48Å; L483-N487 VanDerWaalsContact O-CG 3.29Å; L483-N487 PolarHBondContact O-N 3.45Å; L483-N487 PolarHBondContact O-ND2 3.29Å; N484-N487 PolarHBondContact O-N 3.06Å; N487-K489 PolarHBondContact O-N 3.26Å; N487-I490 PolarHBondContact O-N 2.87Å; N487-E491 PolarHBondContact O-N 3.06Å
488A73.8Confident72Confident55 Ų5593.3 Ų93.346%0.45547%0.473SS..Hα-helixtrans-59.4-36.8175.700000111.9N484 V485 V486 E492N484-A488 VanDerWaalsContact O-CB 3.32Å; N484-A488 WeakPolarHBondContact O-CB 3.45Å; N484-A488 PolarHBondContact O-N 3.21Å; V485-A488 PolarHBondContact O-N 3.38Å; V486-A488 PolarHBondContact O-N 3.44Å; A488-E492 WeakPolarHBondContact O-CB 3.07Å; A488-E492 PolarHBondContact O-N 2.98Å
489K75.9Confident72.7Confident107 Ų10793.9 Ų93.947%0.46548%0.481SS..Hα-helixtrans-76.9-35179.7-147171.2-171.8177.20112.8V485 V486 N487 E491 E492 T493V485-K489 WeakPolarHBondContact O-CB 3.37Å; V485-K489 PolarHBondContact O-N 2.94Å; V486-K489 PolarHBondContact O-N 3.11Å; V486-K489 VanDerWaalsContact O-N 3.13Å; N487-K489 PolarHBondContact O-N 3.26Å; K489-E491 VanDerWaalsContact C-N 3.34Å; K489-E492 PolarHBondContact O-N 2.89Å; K489-T493 WeakPolarHBondContact O-CG2 3.47Å; K489-T493 PolarHBondContact O-N 3.45Å; K489-T493 PolarHBondContact O-OG1 3.07Å
490I76.9Confident73.2Confident90 Ų9095.4 Ų95.446%0.46249%0.485SS..Hα-helixtrans-61.7-44.8170.1-68.7168000109.8V486 N487 E492 T493 K494V486-I490 HydrophobicContact CG1-CD1 3.84Å; V486-I490 HydrophobicContact CG1-CG1 4.44Å; V486-I490 WeakPolarHBondContact O-CG1 3.34Å; V486-I490 PolarHBondContact O-N 2.9Å; N487-I490 PolarHBondContact O-N 2.87Å; I490-E492 PolarHBondContact O-N 3.33Å; I490-T493 WeakPolarHBondContact CA-OG1 3.25Å; I490-T493 PolarHBondContact O-N 2.85Å; I490-T493 PolarHBondContact O-OG1 3.3Å; I490-K494 VanDerWaalsContact O-CB 3.3Å; I490-K494 WeakPolarHBondContact O-CB 3.44Å; I490-K494 PolarHBondContact O-N 3.27Å
491E74.6Confident73.6Confident90 Ų9093.7 Ų93.742%0.42148%0.479SS..Hα-helixtrans-70-30.9177.3-77-62.3131.600113.4N487 K489 R495N487-E491 PolarHBondContact O-N 3.06Å; K489-E491 VanDerWaalsContact C-N 3.34Å; E491-R495 WeakPolarHBondContact O-CB 3.3Å; E491-R495 WeakPolarHBondContact O-CG 3.3Å; E491-R495 PolarHBondContact O-N 2.84Å; E491-R495 VanDerWaalsContact O-N 3.12Å; E491-R495 PolarHBondContact O-NE 2.75Å; E491-R495 VanDerWaalsContact O-NE 3.1Å
492E73.4Confident74.3Confident103 Ų10394.5 Ų94.548%0.48148%0.481SS..Hα-helixtrans-66.1-52.3171.3-174.9170.8-154.600111.4A488 K489 I490 K494 R495 E496A488-E492 WeakPolarHBondContact O-CB 3.07Å; A488-E492 PolarHBondContact O-N 2.98Å; K489-E492 PolarHBondContact O-N 2.89Å; I490-E492 PolarHBondContact O-N 3.33Å; E492-K494 VanDerWaalsContact C-N 3.31Å; E492-K494 PolarHBondContact O-N 2.98Å; E492-R495 PolarHBondContact O-N 2.97Å; E492-R495 VanDerWaalsContact O-N 3.13Å; E492-E496 PolarHBondContact O-N 2.78Å
493T70.6Confident74.4Confident72 Ų7296 Ų9644%0.44249%0.49SS..Hα-helixtrans-60.7-39.317849.90000112.1K489 I490 E496 T497K489-T493 WeakPolarHBondContact O-CG2 3.47Å; K489-T493 PolarHBondContact O-N 3.45Å; K489-T493 PolarHBondContact O-OG1 3.07Å; I490-T493 WeakPolarHBondContact CA-OG1 3.25Å; I490-T493 PolarHBondContact O-N 2.85Å; I490-T493 PolarHBondContact O-OG1 3.3Å; T493-E496 PolarHBondContact O-N 2.86Å; T493-T497 WeakPolarHBondContact O-CG2 3.41Å; T493-T497 PolarHBondContact O-N 3.37Å; T493-T497 PolarHBondContact O-OG1 2.79Å
494K83.3Confident74.2Confident106 Ų10695.8 Ų95.846%0.46149%0.487SS..Hα-helixtrans-59.5-47.4173.1-171178.4175.9-1740112I490 E492 E496 T497 E498I490-K494 VanDerWaalsContact O-CB 3.3Å; I490-K494 WeakPolarHBondContact O-CB 3.44Å; I490-K494 PolarHBondContact O-N 3.27Å; E492-K494 VanDerWaalsContact C-N 3.31Å; E492-K494 PolarHBondContact O-N 2.98Å; K494-E496 PolarHBondContact O-N 3.22Å; K494-T497 WeakPolarHBondContact CA-OG1 2.92Å; K494-T497 PolarHBondContact O-N 3.41Å; K494-T497 PolarHBondContact O-OG1 2.82Å; K494-E498 PolarHBondContact O-N 2.68Å
495R73.4Confident74Confident156 Ų15694.3 Ų94.359%0.58948%0.478SS*.Hα-helixtrans-63.2-38176.4-76.4-179.8-71.3-162.31.4113.1E491 E492 A499E491-R495 WeakPolarHBondContact O-CB 3.3Å; E491-R495 WeakPolarHBondContact O-CG 3.3Å; E491-R495 PolarHBondContact O-N 2.84Å; E491-R495 VanDerWaalsContact O-N 3.12Å; E491-R495 PolarHBondContact O-NE 2.75Å; E491-R495 VanDerWaalsContact O-NE 3.1Å; E492-R495 PolarHBondContact O-N 2.97Å; E492-R495 VanDerWaalsContact O-N 3.13Å; R495-A499 WeakPolarHBondContact O-CB 3.38Å; R495-A499 PolarHBondContact O-N 2.77Å
496E75.3Confident73.9Confident111 Ų11194.2 Ų94.252%0.51948%0.48SS..Hα-helixtrans-64.7-44.5174.6-71.9-174.8162.800111.6E492 T493 K494 E498 A499 I500E492-E496 PolarHBondContact O-N 2.78Å; T493-E496 PolarHBondContact O-N 2.86Å; K494-E496 PolarHBondContact O-N 3.22Å; E496-E498 PolarHBondContact O-N 2.74Å; E496-A499 PolarHBondContact O-N 2.82Å; E496-I500 VanDerWaalsContact O-CG1 3.29Å; E496-I500 WeakPolarHBondContact O-CG1 3.41Å; E496-I500 PolarHBondContact O-N 3.06Å
497T73.2Confident73.4Confident84 Ų8497.2 Ų97.252%0.51549%0.487SS..Hα-helixtrans-63.1-40.6177.157.70000112.5T493 K494 A499 I500 H501T493-T497 WeakPolarHBondContact O-CG2 3.41Å; T493-T497 PolarHBondContact O-N 3.37Å; T493-T497 PolarHBondContact O-OG1 2.79Å; K494-T497 WeakPolarHBondContact CA-OG1 2.92Å; K494-T497 PolarHBondContact O-N 3.41Å; K494-T497 PolarHBondContact O-OG1 2.82Å; T497-A499 PolarHBondContact O-N 2.83Å; T497-I500 PolarHBondContact O-N 2.93Å; T497-H501 WeakPolarHBondContact O-CB 3.49Å; T497-H501 PolarHBondContact O-N 2.96Å
498E78.7Confident72.8Confident96 Ų9697.7 Ų97.745%0.44949%0.49SS..Hα-helixtrans-64.2-38.9173.9-76.6-176.9-170.500112.5K494 E496 H501 K502K494-E498 PolarHBondContact O-N 2.68Å; E496-E498 PolarHBondContact O-N 2.74Å; E498-H501 PolarHBondContact O-N 3.37Å; E498-K502 WeakPolarHBondContact O-CB 3.36Å; E498-K502 WeakPolarHBondContact O-CG 3.28Å; E498-K502 PolarHBondContact O-N 2.99Å
499A74.8Confident72.3Confident49 Ų49101.4 Ų101.441%0.40550%0.498SS..Hα-helixtrans-66.1-42.2176.400000111.8R495 E496 T497 H501 K502 N503R495-A499 WeakPolarHBondContact O-CB 3.38Å; R495-A499 PolarHBondContact O-N 2.77Å; E496-A499 PolarHBondContact O-N 2.82Å; T497-A499 PolarHBondContact O-N 2.83Å; A499-H501 VanDerWaalsContact C-N 3.34Å; A499-K502 PolarHBondContact O-N 2.79Å; A499-N503 WeakPolarHBondContact O-CB 3.47Å; A499-N503 PolarHBondContact O-N 3.21Å; A499-N503 PolarHBondContact O-ND2 3.19Å
500I72.1Confident71.8Confident116 Ų116104.5 Ų104.560%0.59551%0.511SS*.Hα-helixtrans-61.3-45173.8-67.7165.2000110E496 T497 N503 M504E496-I500 VanDerWaalsContact O-CG1 3.29Å; E496-I500 WeakPolarHBondContact O-CG1 3.41Å; E496-I500 PolarHBondContact O-N 3.06Å; T497-I500 PolarHBondContact O-N 2.93Å; I500-N503 PolarHBondContact O-N 3.47Å; I500-M504 WeakPolarHBondContact O-CB 3.42Å; I500-M504 PolarHBondContact O-N 2.94Å
501H72.2Confident70.8Confident111 Ų111105.1 Ų105.151%0.51451%0.514SS..Hα-helixtrans-63.2-45.3179.4-168.7-127.6000112.2T497 E498 A499 N503 M504 I505T497-H501 WeakPolarHBondContact O-CB 3.49Å; T497-H501 PolarHBondContact O-N 2.96Å; E498-H501 PolarHBondContact O-N 3.37Å; A499-H501 VanDerWaalsContact C-N 3.34Å; H501-N503 VanDerWaalsContact C-N 3.35Å; H501-N503 PolarHBondContact O-N 3.44Å; H501-M504 WeakPolarHBondContact O-CB 3.47Å; H501-M504 PolarHBondContact O-N 3.42Å; H501-I505 WeakPolarHBondContact O-CG1 3.48Å; H501-I505 PolarHBondContact O-N 3.25Å
502K77.8Confident69.4Low141 Ų141107.9 Ų107.961%0.61353%0.527SS*.Hα-helixtrans-60.4-42.1174.1-76.5176.9-178.9171.10112.5E498 A499 M504 I505 S506E498-K502 WeakPolarHBondContact O-CB 3.36Å; E498-K502 WeakPolarHBondContact O-CG 3.28Å; E498-K502 PolarHBondContact O-N 2.99Å; A499-K502 PolarHBondContact O-N 2.79Å; K502-M504 VanDerWaalsContact C-N 3.32Å; K502-I505 PolarHBondContact O-N 2.89Å; K502-S506 WeakPolarHBondContact O-CB 3.45Å; K502-S506 PolarHBondContact O-N 2.95Å
503N71.5Confident67.8Low110 Ų110107.3 Ų107.359%0.58853%0.534SS*.Hα-helixtrans-64.6-38.5176.2-77.5-19.1000111.8A499 I500 H501 S506 F507A499-N503 WeakPolarHBondContact O-CB 3.47Å; A499-N503 PolarHBondContact O-N 3.21Å; A499-N503 PolarHBondContact O-ND2 3.19Å; I500-N503 PolarHBondContact O-N 3.47Å; H501-N503 VanDerWaalsContact C-N 3.35Å; H501-N503 PolarHBondContact O-N 3.44Å; N503-S506 PolarHBondContact O-N 3.27Å; N503-F507 WeakPolarHBondContact O-CB 3.49Å; N503-F507 PolarHBondContact O-N 3.39Å
504M66.5Low66.5Low107 Ų107109.4 Ų109.453%0.52755%0.549SS..Hα-helixtrans-64.9-42.9176.4-164.5178113.300111.7I500 H501 K502 F507 L508I500-M504 WeakPolarHBondContact O-CB 3.42Å; I500-M504 PolarHBondContact O-N 2.94Å; H501-M504 WeakPolarHBondContact O-CB 3.47Å; H501-M504 PolarHBondContact O-N 3.42Å; K502-M504 VanDerWaalsContact C-N 3.32Å; M504-F507 WeakPolarHBondContact O-CB 3.37Å; M504-F507 PolarHBondContact O-N 2.89Å; M504-L508 HydrophobicContact CE-CD1 4.3Å; M504-L508 WeakPolarHBondContact O-CG 3.46Å; M504-L508 PolarHBondContact O-N 3.13Å
505I69.6Low64.5Low75 Ų75110 Ų11039%0.38556%0.562SS.*Hα-helixtrans-61.2-49.5174.5-66.1167.8000110.7H501 K502 F507 L508 E509H501-I505 WeakPolarHBondContact O-CG1 3.48Å; H501-I505 PolarHBondContact O-N 3.25Å; K502-I505 PolarHBondContact O-N 2.89Å; I505-F507 PolarHBondContact O-N 3.41Å; I505-L508 PolarHBondContact O-N 3.06Å; I505-L508 VanDerWaalsContact O-N 3.11Å; I505-E509 PolarHBondContact O-N 3.31Å
506S68.7Low62.8Low48 Ų48111.1 Ų111.134%0.33657%0.571SS.*Hα-helixtrans-55.6-38.4175.1143.40000112.6K502 N503 K510K502-S506 WeakPolarHBondContact O-CB 3.45Å; K502-S506 PolarHBondContact O-N 2.95Å; N503-S506 PolarHBondContact O-N 3.27Å; S506-K510 WeakPolarHBondContact O-CG 3.19Å; S506-K510 PolarHBondContact O-N 2.88Å
507F63.3Low60.8Low133 Ų133112.8 Ų112.858%0.58358%0.583SS**Hα-helixtrans-68.5-43.6177-170.8-104.3000111.6N503 M504 I505 K510 I511N503-F507 WeakPolarHBondContact O-CB 3.49Å; N503-F507 PolarHBondContact O-N 3.39Å; M504-F507 WeakPolarHBondContact O-CB 3.37Å; M504-F507 PolarHBondContact O-N 2.89Å; I505-F507 PolarHBondContact O-N 3.41Å; F507-K510 PolarHBondContact O-N 3.46Å; F507-I511 HydrophobicContact CD1-CD1 3.48Å; F507-I511 VanDerWaalsContact CD1-CD1 3.48Å; F507-I511 HydrophobicContact CD1-CG1 4.48Å; F507-I511 HydrophobicContact CE1-CD1 3.22Å; F507-I511 HydrophobicContact CE1-CG1 4.32Å; F507-I511 HydrophobicContact CG-CD1 4.31Å; F507-I511 HydrophobicContact CZ-CD1 3.84Å; F507-I511 WeakPolarHBondContact O-CG1 3.27Å; F507-I511 PolarHBondContact O-N 3.47Å
508L62.6Low58.8Low92 Ų92115.6 Ų115.648%0.48259%0.594SS.*Hα-helixtrans-64.9-40.8176.4-69.5172.9000112.4M504 I505 K510 I511 Q512M504-L508 HydrophobicContact CE-CD1 4.3Å; M504-L508 WeakPolarHBondContact O-CG 3.46Å; M504-L508 PolarHBondContact O-N 3.13Å; I505-L508 PolarHBondContact O-N 3.06Å; I505-L508 VanDerWaalsContact O-N 3.11Å; L508-K510 VanDerWaalsContact C-N 3.29Å; L508-K510 PolarHBondContact O-N 2.9Å; L508-I511 PolarHBondContact O-N 3.46Å; L508-Q512 PolarHBondContact O-N 2.92Å
509E64.4Low56.5Low133 Ų133115.7 Ų115.762%0.62160%0.603SS**Hα-helixtrans-62.5-34.7175-78.4-176.9164.800112.5I505I505-E509 PolarHBondContact O-N 3.31Å
510K64.5Low54.3Low171 Ų171121.2 Ų121.274%0.74363%0.626SS**Hα-helixtrans-76-27.1175.8-75177.6-178.6177.20113.7S506 F507 L508S506-K510 WeakPolarHBondContact O-CG 3.19Å; S506-K510 PolarHBondContact O-N 2.88Å; F507-K510 PolarHBondContact O-N 3.46Å; L508-K510 VanDerWaalsContact C-N 3.29Å; L508-K510 PolarHBondContact O-N 2.9Å
511I55.2Low52.2Low104 Ų104124.6 Ų124.653%0.53364%0.637SS.*Hα-helixtrans-76.7-29.7173.8-67.6166.5000110.6F507 L508 S513F507-I511 HydrophobicContact CD1-CD1 3.48Å; F507-I511 VanDerWaalsContact CD1-CD1 3.48Å; F507-I511 HydrophobicContact CD1-CG1 4.48Å; F507-I511 HydrophobicContact CE1-CD1 3.22Å; F507-I511 HydrophobicContact CE1-CG1 4.32Å; F507-I511 HydrophobicContact CG-CD1 4.31Å; F507-I511 HydrophobicContact CZ-CD1 3.84Å; F507-I511 WeakPolarHBondContact O-CG1 3.27Å; F507-I511 PolarHBondContact O-N 3.47Å; L508-I511 PolarHBondContact O-N 3.46Å; I511-S513 PolarHBondContact O-N 3.42Å
512Q45.4Very low50Low148 Ų148124.6 Ų124.669%0.69265%0.645SS**SBendtrans-59.8112.4167.9-77.8-175.90.200108.1L508L508-Q512 PolarHBondContact O-N 2.92Å
513S41.6Very low47.5Very low90 Ų90126.5 Ų126.563%0.62966%0.656SS**  trans-51.8142.1177.545.10000108.8I511 V515I511-S513 PolarHBondContact O-N 3.42Å; S513-V515 PolarHBondContact O-N 2.97Å
514P43.2Very low45.3Very low117 Ų117131.3 Ų131.376%0.7667%0.667SS**  trans-55.6109.817321.9-30.2000106.3K516P514-K516 PolarHBondContact O-N 2.91Å
515V39.7Very low43.4Very low118 Ų118132.6 Ų132.672%0.71568%0.676SS**  trans-58.798170.41780000103.5S513 N517S513-V515 PolarHBondContact O-N 2.97Å; V515-N517 PolarHBondContact O-N 3.3Å
516K38.5Very low41.4Very low179 Ų179138.9 Ų138.978%0.77870%0.704SS**  trans-57.7103.7165-77-175.7177.5-179.20103P514 L518P514-K516 PolarHBondContact O-N 2.91Å; K516-L518 PolarHBondContact O-N 2.91Å
517N33.1Very low39.5Very low147 Ų147146.3 Ų146.379%0.78673%0.73SS**  trans-58.589.5164-70.9-27.9000104.6V515V515-N517 PolarHBondContact O-N 3.3Å
518L32.1Very low38Very low142 Ų142143.5 Ų143.574%0.74373%0.732SS**  trans-59.8128.5170.4-131.578.6000105.1K516 N520K516-L518 PolarHBondContact O-N 2.91Å; L518-N520 PolarHBondContact O-N 3.39Å
519P30.2Very low36.5Very low99 Ų99149.1 Ų149.164%0.64375%0.752SS**  trans-57.3136.4-17621.1-31.1000110.1F521P519-F521 PolarHBondContact O-N 2.92Å
520N27.9Very low35Very low165 Ų165149.7 Ų149.788%0.88276%0.755SS**  trans-43.293.4178.9-66.9-27.2000112.1L518 T522L518-N520 PolarHBondContact O-N 3.39Å; N520-T522 PolarHBondContact O-N 3.46Å
521F28.4Very low33.6Very low186 Ų186145.9 Ų145.982%0.81675%0.746SS**  trans-83.4100.4155-85.3-81.4000107.2P519P519-F521 PolarHBondContact O-N 2.92Å
522T26.4Very low32.6Very low112 Ų112147.6 Ų147.669%0.68776%0.756SS**  trans10.6116.6143.744.90000116.6N520N520-T522 PolarHBondContact O-N 3.46Å
523E25.3Very low32.3Very low181 Ų181143 Ų14385%0.84674%0.741SS**  trans30.2100.4140.6-66.1179.7154.900117.2
524Y23.7Very low32.1Very low210 Ų210142.3 Ų142.382%0.82473%0.73SS**  178.1140.5121.6-122.9-122.1000113.3
525N27.4Very low31.9Very low134 Ų134145.6 Ų145.672%0.71773%0.732SS**  trans72.6103.2158.9-71.5-19000121.4K527N525-K527 VanDerWaalsContact C-N 3.29Å; N525-K527 PolarHBondContact O-N 3.5Å
526Q27.8Very low32.1Very low208 Ų208146.7 Ų146.797%0.97273%0.733SS**THydrogen-bonded Turntrans-54.726179-99.2166.5-9.800119.8
527K29.3Very low32.7Very low203 Ų203140.8 Ų140.888%0.88371%0.708SS**THydrogen-bonded Turntrans-111.44.5-177.6-79.9-168.3176.8-178.10117.8N525N525-K527 VanDerWaalsContact C-N 3.29Å; N525-K527 PolarHBondContact O-N 3.5Å
528A30.8Very low33.5Very low75 Ų75135.4 Ų135.462%0.6268%0.681SS**  trans-106.88.7-167.800000117.7
529K30.9Very low34.6Very low209 Ų209135.5 Ų135.591%0.90968%0.683SS**THydrogen-bonded Turntrans-89.1-1.5179.1-84.2-172.7177.71780116
530E33.1Very low36.1Very low145 Ų145137 Ų13768%0.67868%0.676SS**THydrogen-bonded Turntrans-86.3-9.2178.9-72.6-170.5153.600115N532 S533 L534E530-N532 PolarHBondContact O-N 3.12Å; E530-S533 PolarHBondContact O-OG 2.72Å; E530-L534 PolarHBondContact O-N 2.95Å
531T35.9Very low38.1Very low92 Ų92131.9 Ų131.956%0.56465%0.653SS**Hα-helixtrans-72.4-33-171.149.30000114S533 F535T531-S533 PolarHBondContact O-N 3.1Å; T531-F535 PolarHBondContact O-N 3.31Å
532N33.8Very low40.2Very low139 Ų139123.4 Ų123.474%0.74362%0.616SS**Hα-helixtrans-74.8-24.7-175.4-75.7-7.7000113.8E530E530-N532 PolarHBondContact O-N 3.12Å
533S38.5Very low42.5Very low51 Ų51123.3 Ų123.336%0.35761%0.608SS.*Hα-helixtrans-84.5-41.9172.649.30000111.1E530 T531 F535 L536 F537E530-S533 PolarHBondContact O-OG 2.72Å; T531-S533 PolarHBondContact O-N 3.1Å; S533-F535 VanDerWaalsContact C-N 3.25Å; S533-F535 PolarHBondContact O-N 2.92Å; S533-L536 PolarHBondContact O-N 2.79Å; S533-F537 WeakPolarHBondContact O-CD2 3.47Å; S533-F537 WeakPolarHBondContact O-CE2 3.35Å
534L37.7Very low44.7Very low76 Ų76118.6 Ų118.640%0.39859%0.588SS.*Hα-helixtrans-56-38.5-177.4-113.381.3000113.4E530 L536 F537 S538 M622E530-L534 PolarHBondContact O-N 2.95Å; L534-L536 VanDerWaalsContact C-N 3.3Å; L534-L536 PolarHBondContact O-N 2.91Å; L534-F537 PolarHBondContact O-N 2.93Å; L534-S538 PolarHBondContact O-N 3.36Å; L534-S538 PolarHBondContact O-OG 3.01Å; L534-M622 HydrophobicContact CD2-CE 3.69Å; L534-M622 HydrophobicContact CG-CE 3.91Å
535F39.6Very low47Very low186 Ų186114.5 Ų114.582%0.81658%0.581SS**Hα-helixtrans-68.1-25.6-174.4-144-87.2000113.8T531 S533 F537T531-F535 PolarHBondContact O-N 3.31Å; S533-F535 VanDerWaalsContact C-N 3.25Å; S533-F535 PolarHBondContact O-N 2.92Å; F535-F537 VanDerWaalsContact C-N 3.35Å
536L44.3Very low49.3Very low141 Ų141109.2 Ų109.274%0.73855%0.552SS**Hα-helixtrans-80.2-16.3179.5-84.9164.2000113.4S533 L534S533-L536 PolarHBondContact O-N 2.79Å; L534-L536 VanDerWaalsContact C-N 3.3Å; L534-L536 PolarHBondContact O-N 2.91Å
537F50.2Low51.7Low56 Ų5699.4 Ų99.425%0.24651%0.507CS..Hα-helixtrans-117.3-8.5-165.5-55-58.8000114.4S533 L534 F535 D539 F645 I647S533-F537 WeakPolarHBondContact O-CD2 3.47Å; S533-F537 WeakPolarHBondContact O-CE2 3.35Å; L534-F537 PolarHBondContact O-N 2.93Å; F535-F537 VanDerWaalsContact C-N 3.35Å; F537-D539 PolarHBondContact O-N 3.13Å; F537-F645 AromaticContact CD1-CD1 3.99Å; F537-F645 HydrophobicContact CD1-CD1 3.99Å; F537-F645 HydrophobicContact CD1-CE1 4.25Å; F537-F645 HydrophobicContact CD1-CG 4.33Å; F537-F645 HydrophobicContact CE1-CB 4.27Å; F537-F645 AromaticContact CE1-CD1 3.95Å; F537-F645 HydrophobicContact CE1-CD1 3.95Å; F537-F645 HydrophobicContact CE1-CG 4.16Å; F537-F645 HydrophobicContact CZ-CB 4.37Å; F537-I647 HydrophobicContact CE2-CD1 4.14Å; F537-I647 HydrophobicContact CZ-CD1 4.44Å
538S51.2Low54Low33 Ų3393.6 Ų93.623%0.23148%0.479CS..THydrogen-bonded Turntrans-66.1-34.5-167.426.80000115.2L534L534-S538 PolarHBondContact O-N 3.36Å; L534-S538 PolarHBondContact O-OG 3.01Å
539D54.4Low56.3Low145 Ų14594 Ų9478%0.77547%0.471SS*.THydrogen-bonded Turntrans-108.58.8-169.2-61.4-29.2000114.1F537 S541F537-D539 PolarHBondContact O-N 3.13Å; D539-S541 PolarHBondContact O-N 3.12Å
540R61.9Low58.5Low129 Ų12984.1 Ų84.149%0.48743%0.428SS..PPolyproline II helixtrans-75.8120179.7-159.2173.6-178.9-170.1-5.4109.7T620 Y621R540-T620 WeakPolarHBondContact O-CA 2.84Å; R540-T620 WeakPolarHBondContact O-CB 3.01Å; R540-Y621 HydrophobicContact CB-CD2 4.11Å; R540-Y621 HydrophobicContact CB-CE2 4.39Å; R540-Y621 HydrophobicContact CG-CD2 4.47Å; R540-Y621 HydrophobicContact CG-CE2 4.26Å; R540-Y621 WeakPolarHBondContact O-CD2 3.46Å; R540-Y621 PolarHBondContact O-N 3.25Å
541S68.8Low60.6Low58 Ų5877.4 Ų77.441%0.40640%0.397SS..BIsolated β-bridgetrans-67.4142.717153.90000110.5D539 Q543 P619D539-S541 PolarHBondContact O-N 3.12Å; S541-Q543 PolarHBondContact OG-NE2 3.45Å; S541-P619 WeakPolarHBondContact CA-O 3.5Å
542I73.1Confident62.5Low8 Ų877.7 Ų77.74%0.04139%0.391CS..PPolyproline II helixtrans-75.4130.5176.1-61.7156.9000108.1D546 I547 W606 I607 P619 Y621 L624I542-D546 HydrophobicContact CG2-CB 4.2Å; I542-I547 HydrophobicContact CG2-CG1 3.99Å; I542-W606 HydrophobicContact CD1-CZ3 3.91Å; I542-I607 HydrophobicContact CB-CD1 3.99Å; I542-I607 HydrophobicContact CG2-CD1 3.61Å; I542-P619 PolarHBondContact N-O 2.91Å; I542-P619 VanDerWaalsContact N-O 3.08Å; I542-Y621 HydrophobicContact CG1-CD1 3.98Å; I542-Y621 HydrophobicContact CG1-CD2 3.96Å; I542-Y621 HydrophobicContact CG1-CE1 4.21Å; I542-Y621 HydrophobicContact CG1-CE2 4.16Å; I542-Y621 HydrophobicContact CG1-CG 3.9Å; I542-L624 HydrophobicContact CD1-CB 3.82Å; I542-L624 HydrophobicContact CD1-CD2 3.85Å; I542-L624 HydrophobicContact CD1-CG 4.37Å
543Q73.9Confident64.2Low110 Ų11071.8 Ų71.851%0.51436%0.36SS..  trans-105.2161.3176.9-58.3-68.9-60.300110.9S541 N545 D546 I547S541-Q543 PolarHBondContact OG-NE2 3.45Å; Q543-N545 VanDerWaalsContact C-N 3.3Å; Q543-N545 PolarHBondContact O-N 3.22Å; Q543-D546 WeakPolarHBondContact CB-OD2 3.32Å; Q543-D546 PolarHBondContact N-OD2 2.91Å; Q543-D546 WeakPolarHBondContact O-CA 3.34Å; Q543-D546 WeakPolarHBondContact O-CB 3.47Å; Q543-D546 PolarHBondContact O-N 3Å; Q543-I547 PolarHBondContact O-N 2.88Å
544D71.7Confident65.7Low82 Ų8270.5 Ų70.544%0.43935%0.35SS..Hα-helixtrans-52.9-41.6-178.1-70.5-6000114.5D546 I547 W548 L604D544-D546 VanDerWaalsContact C-N 3.27Å; D544-D546 PolarHBondContact O-N 2.97Å; D544-I547 WeakPolarHBondContact O-CB 3.22Å; D544-I547 PolarHBondContact O-N 3.47Å; D544-W548 PolarHBondContact O-N 2.67Å; D544-L604 WeakPolarHBondContact OD1-CD1 3.43Å
545N73.6Confident66.9Low124 Ų12470.5 Ų70.566%0.66335%0.351SS*.Hα-helixtrans-63.9-36177.1-71.6-7000111.9Q543 I547 W548 D549Q543-N545 VanDerWaalsContact C-N 3.3Å; Q543-N545 PolarHBondContact O-N 3.22Å; N545-I547 VanDerWaalsContact C-N 3.27Å; N545-I547 PolarHBondContact O-N 3.37Å; N545-W548 PolarHBondContact O-N 2.99Å; N545-D549 PolarHBondContact O-N 3.16Å
546D75.9Confident68Low23 Ų2368.1 Ų68.112%0.12335%0.347CS..Hα-helixtrans-68.2-31.9179.6-54.2-34.2000111I542 Q543 D544 D549 I550 Y621I542-D546 HydrophobicContact CG2-CB 4.2Å; Q543-D546 WeakPolarHBondContact CB-OD2 3.32Å; Q543-D546 PolarHBondContact N-OD2 2.91Å; Q543-D546 WeakPolarHBondContact O-CA 3.34Å; Q543-D546 WeakPolarHBondContact O-CB 3.47Å; Q543-D546 PolarHBondContact O-N 3Å; D544-D546 VanDerWaalsContact C-N 3.27Å; D544-D546 PolarHBondContact O-N 2.97Å; D546-D549 PolarHBondContact O-N 2.83Å; D546-I550 WeakPolarHBondContact O-CD1 3.5Å; D546-I550 VanDerWaalsContact O-CG1 3.23Å; D546-I550 WeakPolarHBondContact O-CG1 3.3Å; D546-I550 PolarHBondContact O-N 2.89Å; D546-Y621 HydrophobicContact CB-CE1 4.32Å; D546-Y621 WeakPolarHBondContact CB-OH 3.41Å; D546-Y621 PolarHBondContact OD1-OH 3.22Å; D546-Y621 PolarHBondContact OD2-OH 3.04Å
547I78.1Confident68.7Low2 Ų263.4 Ų63.41%0.0132%0.322CS..Hα-helixtrans-62.5-48.4173.8-51.4171.2000109.7I542 Q543 D544 N545 D549 I550 I551 Y600 L603 L604 I607I542-I547 HydrophobicContact CG2-CG1 3.99Å; Q543-I547 PolarHBondContact O-N 2.88Å; D544-I547 WeakPolarHBondContact O-CB 3.22Å; D544-I547 PolarHBondContact O-N 3.47Å; N545-I547 VanDerWaalsContact C-N 3.27Å; N545-I547 PolarHBondContact O-N 3.37Å; I547-D549 VanDerWaalsContact C-N 3.31Å; I547-D549 PolarHBondContact O-N 2.87Å; I547-I550 PolarHBondContact O-N 2.89Å; I547-I551 HydrophobicContact CG2-CD1 3.77Å; I547-I551 HydrophobicContact CG2-CG1 4.48Å; I547-I551 VanDerWaalsContact O-CG1 3.29Å; I547-I551 WeakPolarHBondContact O-CG1 3.45Å; I547-I551 PolarHBondContact O-N 3.18Å; I547-Y600 HydrophobicContact CB-CD2 4.15Å; I547-Y600 HydrophobicContact CB-CE2 4.14Å; I547-Y600 HydrophobicContact CD1-CE2 4.19Å; I547-Y600 HydrophobicContact CG2-CD2 3.6Å; I547-Y600 HydrophobicContact CG2-CE2 4.05Å; I547-L603 HydrophobicContact CG2-CB 3.71Å; I547-L603 HydrophobicContact CG2-CD1 3.88Å; I547-L603 HydrophobicContact CG2-CG 4.45Å; I547-L604 HydrophobicContact CD1-CD1 3.91Å; I547-I607 HydrophobicContact CD1-CD1 3.37Å; I547-I607 HydrophobicContact CG1-CD1 3.65Å
548W77.4Confident69.3Low82 Ų8267.4 Ų67.431%0.31135%0.352SS..Hα-helixtrans-61.8-39.9177.6-82.2111.2000112.1D544 N545 I551 H552 Y597 Y600D544-W548 PolarHBondContact O-N 2.67Å; N545-W548 PolarHBondContact O-N 2.99Å; W548-I551 PolarHBondContact O-N 2.79Å; W548-H552 WeakPolarHBondContact O-CB 3.4Å; W548-H552 PolarHBondContact O-CD2 2.95Å; W548-H552 VanDerWaalsContact O-CD2 3.25Å; W548-H552 PolarHBondContact O-N 2.75Å; W548-Y597 HydrophobicContact CH2-CD2 4.38Å; W548-Y597 HydrophobicContact CZ2-CD2 4.5Å; W548-Y600 AromaticContact CD1-CE2 3.61Å; W548-Y600 HydrophobicContact CD2-CD2 4.04Å; W548-Y600 HydrophobicContact CD2-CE2 4.38Å; W548-Y600 AromaticContact CE2-CD2 3.58Å; W548-Y600 AromaticContact CE2-CE2 3.73Å; W548-Y600 AromaticContact CE2-CG 3.94Å; W548-Y600 HydrophobicContact CG-CD2 4.3Å; W548-Y600 HydrophobicContact CG-CE2 4.32Å; W548-Y600 HydrophobicContact CH2-CG 4.27Å; W548-Y600 AromaticContact CZ2-CD1 3.97Å; W548-Y600 HydrophobicContact CZ2-CD1 3.97Å; W548-Y600 AromaticContact CZ2-CD2 3.92Å; W548-Y600 HydrophobicContact CZ2-CD2 3.92Å; W548-Y600 HydrophobicContact CZ2-CE1 4.3Å; W548-Y600 HydrophobicContact CZ2-CE2 4.29Å; W548-Y600 AromaticContact CZ2-CG 3.76Å; W548-Y600 HydrophobicContact CZ2-CG 3.76Å; W548-Y600 AromaticContact NE1-CD2 3.57Å; W548-Y600 AromaticContact NE1-CE2 3.2Å; W548-Y600 AromaticContact NE1-CZ 3.58Å
549D77.5Confident70.1Confident82 Ų8269.8 Ų69.844%0.43936%0.362SS..Hα-helixtrans-62.8-43.8175.4-73.7-21.6000111.5N545 D546 I547 I551 H552 L553 L644N545-D549 PolarHBondContact O-N 3.16Å; D546-D549 PolarHBondContact O-N 2.83Å; I547-D549 VanDerWaalsContact C-N 3.31Å; I547-D549 PolarHBondContact O-N 2.87Å; D549-I551 PolarHBondContact O-N 2.9Å; D549-H552 PolarHBondContact O-N 2.84Å; D549-L553 VanDerWaalsContact O-CG 3.25Å; D549-L553 WeakPolarHBondContact O-CG 3.49Å; D549-L553 PolarHBondContact O-N 3.4Å; D549-L553 VanDerWaalsContact O-N 3.15Å; D549-L644 HydrophobicContact CB-CD2 3.59Å
550I78.2Confident70.9Confident2 Ų263.8 Ų63.81%0.0133%0.332CS..Hα-helixtrans-60.4-45.3175.2-68.2163.8000110.9D546 I547 L553 C554 W566 Y621 L624 F636 L644D546-I550 WeakPolarHBondContact O-CD1 3.5Å; D546-I550 VanDerWaalsContact O-CG1 3.23Å; D546-I550 WeakPolarHBondContact O-CG1 3.3Å; D546-I550 PolarHBondContact O-N 2.89Å; I547-I550 PolarHBondContact O-N 2.89Å; I550-L553 WeakPolarHBondContact O-CB 3.35Å; I550-L553 PolarHBondContact O-N 2.71Å; I550-C554 PolarHBondContact O-N 3.43Å; I550-W566 HydrophobicContact CG2-CH2 4.35Å; I550-W566 HydrophobicContact CG2-CZ2 4.03Å; I550-Y621 HydrophobicContact CD1-CE1 4.33Å; I550-L624 HydrophobicContact CD1-CD2 4.04Å; I550-F636 HydrophobicContact CG2-CE1 4.2Å; I550-F636 HydrophobicContact CG2-CZ 4.26Å; I550-L644 HydrophobicContact CD1-CD1 4.37Å; I550-L644 HydrophobicContact CG1-CD1 3.81Å
551I77.3Confident71.6Confident4 Ų457.9 Ų57.92%0.02131%0.31CS..Hα-helixtrans-68.6-37.8-178.8-67.3169000111.4I547 W548 D549 L553 C554 R596 Y600 L603I547-I551 HydrophobicContact CG2-CD1 3.77Å; I547-I551 HydrophobicContact CG2-CG1 4.48Å; I547-I551 VanDerWaalsContact O-CG1 3.29Å; I547-I551 WeakPolarHBondContact O-CG1 3.45Å; I547-I551 PolarHBondContact O-N 3.18Å; W548-I551 PolarHBondContact O-N 2.79Å; D549-I551 PolarHBondContact O-N 2.9Å; I551-L553 PolarHBondContact O-N 3.45Å; I551-C554 VanDerWaalsContact O-CB 3.29Å; I551-C554 WeakPolarHBondContact O-CB 3.41Å; I551-C554 PolarHBondContact O-N 2.89Å; I551-R596 HydrophobicContact CG2-CB 3.98Å; I551-R596 HydrophobicContact CG2-CG 4.4Å; I551-Y600 VanDerWaalsContact CD1-CB 3.48Å; I551-Y600 HydrophobicContact CD1-CD2 4.13Å; I551-Y600 HydrophobicContact CD1-CG 4.32Å; I551-L603 HydrophobicContact CD1-CD1 4.15Å; I551-L603 HydrophobicContact CG1-CD1 4.07Å
552H75.8Confident72Confident98 Ų9859 Ų5945%0.45431%0.312SS..Hα-helixtrans-62.3-31.2174.1-88.1-56.3000112.3W548 D549 C554 N555W548-H552 WeakPolarHBondContact O-CB 3.4Å; W548-H552 PolarHBondContact O-CD2 2.95Å; W548-H552 VanDerWaalsContact O-CD2 3.25Å; W548-H552 PolarHBondContact O-N 2.75Å; D549-H552 PolarHBondContact O-N 2.84Å; H552-C554 VanDerWaalsContact C-N 3.28Å; H552-C554 PolarHBondContact O-N 2.8Å; H552-N555 PolarHBondContact O-N 2.83Å
553L69.5Low72.2Confident16 Ų1659.8 Ų59.88%0.08431%0.314CS..Hα-helixtrans-69.6-24.6173.9-63.7168.1000112.9D549 I550 I551 N555 N556 F636 L639 K643D549-L553 VanDerWaalsContact O-CG 3.25Å; D549-L553 WeakPolarHBondContact O-CG 3.49Å; D549-L553 PolarHBondContact O-N 3.4Å; D549-L553 VanDerWaalsContact O-N 3.15Å; I550-L553 WeakPolarHBondContact O-CB 3.35Å; I550-L553 PolarHBondContact O-N 2.71Å; I551-L553 PolarHBondContact O-N 3.45Å; L553-N555 VanDerWaalsContact C-N 3.31Å; L553-N555 PolarHBondContact O-N 3.38Å; L553-N556 PolarHBondContact O-N 3.43Å; L553-F636 HydrophobicContact CB-CE2 4.22Å; L553-F636 HydrophobicContact CB-CZ 4.41Å; L553-L639 HydrophobicContact CB-CD2 3.99Å; L553-L639 HydrophobicContact CD1-CD2 4.13Å; L553-L639 HydrophobicContact CD2-CD2 3.79Å; L553-L639 HydrophobicContact CG-CD2 4.17Å; L553-K643 HydrophobicContact CD1-CB 3.99Å; L553-K643 HydrophobicContact CD1-CG 4.5Å; L553-K643 HydrophobicContact CD2-CB 3.93Å; L553-K643 HydrophobicContact CD2-CD 3.48Å; L553-K643 VanDerWaalsContact CD2-CD 3.48Å; L553-K643 HydrophobicContact CD2-CG 3.7Å
554C70.2Confident72.4Confident23 Ų2360.2 Ų60.216%0.15532%0.315CS..Hα-helixtrans-64.9-32.7176.8-63.90000112.9I550 I551 H552 N556 N557 A560 F636I550-C554 PolarHBondContact O-N 3.43Å; I551-C554 VanDerWaalsContact O-CB 3.29Å; I551-C554 WeakPolarHBondContact O-CB 3.41Å; I551-C554 PolarHBondContact O-N 2.89Å; H552-C554 VanDerWaalsContact C-N 3.28Å; H552-C554 PolarHBondContact O-N 2.8Å; C554-N556 VanDerWaalsContact C-N 3.27Å; C554-N556 PolarHBondContact O-N 2.87Å; C554-N557 PolarHBondContact O-N 2.97Å; C554-A560 HydrophobicContact CB-CB 3.74Å; C554-F636 WeakPolarHBondContact SG-CZ 3.34Å
555N63.2Low72.8Confident77 Ų7757.4 Ų57.441%0.41230%0.301SS..THydrogen-bonded Turntrans-63.6-32.1-177.6-74.4-26.1000113.3H552 L553 N557 R596H552-N555 PolarHBondContact O-N 2.83Å; L553-N555 VanDerWaalsContact C-N 3.31Å; L553-N555 PolarHBondContact O-N 3.38Å; N555-N557 VanDerWaalsContact C-N 3.34Å; N555-R596 VanDerWaalsContact ND2-CZ 3.34Å; N555-R596 PolarHBondContact ND2-NE 3.42Å; N555-R596 PolarHBondContact OD1-NE 2.69Å
556N61.3Low73.1Confident136 Ų13651.5 Ų51.573%0.72727%0.27SS*.THydrogen-bonded Turntrans-91.51.9-171.7-693.1000112.9L553 C554L553-N556 PolarHBondContact O-N 3.43Å; C554-N556 VanDerWaalsContact C-N 3.27Å; C554-N556 PolarHBondContact O-N 2.87Å
557N60.2Low73.2Confident41 Ų4150.8 Ų50.822%0.21927%0.266CS..  trans-138.7122.7-170.3-156.1-5.7000111.8C554 N555 N559 A560C554-N557 PolarHBondContact O-N 2.97Å; N555-N557 VanDerWaalsContact C-N 3.34Å; N557-N559 PolarHBondContact O-N 3.04Å; N557-A560 HydrophobicContact CB-CB 4.41Å; N557-A560 VanDerWaalsContact O-CB 3.3Å; N557-A560 WeakPolarHBondContact O-CB 3.42Å; N557-A560 PolarHBondContact O-N 3.43Å
558T62.8Low73.1Confident141 Ų14156.4 Ų56.487%0.86529%0.29SS*.THydrogen-bonded Turntrans-65.2-24.5177.5420000112.8A560T558-A560 VanDerWaalsContact C-N 3.28Å; T558-A560 PolarHBondContact O-N 2.99Å
559N67Low72.9Confident83 Ų8353 Ų5344%0.44428%0.278SS..THydrogen-bonded Turntrans-90.616.9-179.6-65.3-5000112.8N557 Y633 E635N557-N559 PolarHBondContact O-N 3.04Å; N559-Y633 WeakPolarHBondContact O-CD1 3.29Å; N559-E635 PolarHBondContact ND2-OE2 3.34Å
560A71.8Confident72.7Confident19 Ų1949.6 Ų49.616%0.15726%0.26CS..SBendtrans-84.9148.8179.900000112.5C554 N557 T558 N562 F636C554-A560 HydrophobicContact CB-CB 3.74Å; N557-A560 HydrophobicContact CB-CB 4.41Å; N557-A560 VanDerWaalsContact O-CB 3.3Å; N557-A560 WeakPolarHBondContact O-CB 3.42Å; N557-A560 PolarHBondContact O-N 3.43Å; T558-A560 VanDerWaalsContact C-N 3.28Å; T558-A560 PolarHBondContact O-N 2.99Å; A560-N562 PolarHBondContact O-N 2.89Å; A560-F636 HydrophobicContact CB-CD2 3.82Å; A560-F636 HydrophobicContact CB-CE2 3.76Å
561P75.6Confident72.4Confident4 Ų450.6 Ų50.63%0.02627%0.265CS..PPolyproline II helixtrans-64.4127.117425.6-32.9000110.9W566 I569 L628 Y633 F636P561-W566 HydrophobicContact CB-CD2 4.26Å; P561-W566 HydrophobicContact CB-CG 4.41Å; P561-W566 HydrophobicContact CB-CZ2 4.39Å; P561-W566 HydrophobicContact CG-CD2 4.26Å; P561-W566 VanDerWaalsContact CG-CE2 3.48Å; P561-W566 HydrophobicContact CG-CH2 4.29Å; P561-W566 HydrophobicContact CG-CZ2 3.52Å; P561-W566 PolarHBondContact O-NE1 2.79Å; P561-I569 HydrophobicContact CB-CD1 4.31Å; P561-L628 HydrophobicContact CB-CD2 4.45Å; P561-L628 HydrophobicContact CG-CD2 4.02Å; P561-Y633 HydrophobicContact CB-CD1 4.34Å; P561-Y633 HydrophobicContact CB-CE1 4.07Å; P561-Y633 HydrophobicContact CB-CE2 4.4Å; P561-F636 HydrophobicContact CG-CD1 4.1Å; P561-F636 HydrophobicContact CG-CE1 3.98Å
562N78Confident71.6Confident83 Ų8355.2 Ų55.244%0.44430%0.295SS..PPolyproline II helixtrans-79.5172.3169.167.431.6000110.3A560 K564 S565 W566A560-N562 PolarHBondContact O-N 2.89Å; N562-K564 PolarHBondContact O-N 3.33Å; N562-K564 WeakPolarHBondContact OD1-CA 3.43Å; N562-K564 WeakPolarHBondContact OD1-CB 3.41Å; N562-K564 PolarHBondContact OD1-N 3.07Å; N562-S565 WeakPolarHBondContact O-CB 3.41Å; N562-S565 PolarHBondContact O-N 3.3Å; N562-S565 VanDerWaalsContact O-N 3.11Å; N562-S565 PolarHBondContact OD1-N 3.15Å; N562-S565 PolarHBondContact OD1-OG 3.18Å; N562-S565 VanDerWaalsContact OD1-OG 3.07Å; N562-W566 VanDerWaalsContact O-CD1 3.31Å; N562-W566 PolarHBondContact O-N 3.09Å
563W77.2Confident71Confident23 Ų2356.7 Ų56.79%0.08731%0.312CS..Hα-helixtrans-59.8-31.3-179.371.6-97.2000112.9W566 L567 L588 N591 T598 S599 I602W563-W566 PolarHBondContact O-N 3.2Å; W563-L567 HydrophobicContact CZ3-CD2 4.21Å; W563-L567 WeakPolarHBondContact O-CB 2.91Å; W563-L567 PolarHBondContact O-N 2.94Å; W563-L588 HydrophobicContact CE3-CD2 3.89Å; W563-L588 HydrophobicContact CH2-CD2 3.84Å; W563-L588 HydrophobicContact CZ3-CD2 3.23Å; W563-N591 VanDerWaalsContact CE2-CG 3.49Å; W563-N591 VanDerWaalsContact CE2-ND2 3.35Å; W563-N591 HydrophobicContact CZ2-CB 4.44Å; W563-N591 WeakPolarHBondContact CZ2-ND2 3.24Å; W563-N591 VanDerWaalsContact NE1-CG 3.27Å; W563-N591 PolarHBondContact NE1-ND2 2.79Å; W563-N591 PolarHBondContact NE1-OD1 2.76Å; W563-T598 HydrophobicContact CB-CG2 4.26Å; W563-T598 HydrophobicContact CD2-CG2 4.33Å; W563-T598 HydrophobicContact CE3-CG2 4.31Å; W563-T598 HydrophobicContact CG-CG2 4.34Å; W563-S599 WeakPolarHBondContact CB-OG 3.36Å; W563-I602 HydrophobicContact CB-CD1 4.15Å; W563-I602 HydrophobicContact CE3-CD1 4.27Å; W563-I602 WeakPolarHBondContact O-CD1 3.43Å
564K79.1Confident70.7Confident120 Ų12058.3 Ų58.352%0.52232%0.317SS..Hα-helixtrans-68.2-42.5175.6-65.3-171.7174.4-165.40111.5N562 L567 K568N562-K564 PolarHBondContact O-N 3.33Å; N562-K564 WeakPolarHBondContact OD1-CA 3.43Å; N562-K564 WeakPolarHBondContact OD1-CB 3.41Å; N562-K564 PolarHBondContact OD1-N 3.07Å; K564-L567 PolarHBondContact O-N 2.94Å; K564-K568 PolarHBondContact O-N 2.88Å
565S79.1Confident70.1Confident22 Ų2261.6 Ų61.615%0.15433%0.333CS..Hα-helixtrans-61.4-45.8173.6-58.40000110.1N562 L567 K568 I569 Y633N562-S565 WeakPolarHBondContact O-CB 3.41Å; N562-S565 PolarHBondContact O-N 3.3Å; N562-S565 VanDerWaalsContact O-N 3.11Å; N562-S565 PolarHBondContact OD1-N 3.15Å; N562-S565 PolarHBondContact OD1-OG 3.18Å; N562-S565 VanDerWaalsContact OD1-OG 3.07Å; S565-L567 VanDerWaalsContact C-N 3.34Å; S565-L567 PolarHBondContact O-N 2.95Å; S565-K568 PolarHBondContact O-N 3.29Å; S565-I569 WeakPolarHBondContact O-CB 3.33Å; S565-I569 VanDerWaalsContact O-CD1 3.25Å; S565-I569 WeakPolarHBondContact O-CD1 3.46Å; S565-I569 WeakPolarHBondContact O-CG1 3.36Å; S565-I569 PolarHBondContact O-N 2.88Å; S565-Y633 VanDerWaalsContact CB-OH 3.31Å; S565-Y633 WeakPolarHBondContact CB-OH 3.39Å; S565-Y633 PolarHBondContact OG-OH 2.86Å
566W80.5Confident69.8Low0 Ų063.5 Ų63.50%034%0.339CS..Hα-helixtrans-58.9-44.1174.7-79.5120.5000112.5I550 P561 N562 W563 K568 I569 C570 I602 L603 L624 L628 F636I550-W566 HydrophobicContact CG2-CH2 4.35Å; I550-W566 HydrophobicContact CG2-CZ2 4.03Å; P561-W566 HydrophobicContact CB-CD2 4.26Å; P561-W566 HydrophobicContact CB-CG 4.41Å; P561-W566 HydrophobicContact CB-CZ2 4.39Å; P561-W566 HydrophobicContact CG-CD2 4.26Å; P561-W566 VanDerWaalsContact CG-CE2 3.48Å; P561-W566 HydrophobicContact CG-CH2 4.29Å; P561-W566 HydrophobicContact CG-CZ2 3.52Å; P561-W566 PolarHBondContact O-NE1 2.79Å; N562-W566 VanDerWaalsContact O-CD1 3.31Å; N562-W566 PolarHBondContact O-N 3.09Å; W563-W566 PolarHBondContact O-N 3.2Å; W566-K568 VanDerWaalsContact C-N 3.32Å; W566-K568 PolarHBondContact O-N 3.5Å; W566-I569 HydrophobicContact CE3-CD1 4.29Å; W566-I569 PolarHBondContact O-N 3.05Å; W566-C570 VanDerWaalsContact O-CB 3.25Å; W566-C570 WeakPolarHBondContact O-CB 3.04Å; W566-C570 PolarHBondContact O-N 2.85Å; W566-C570 PolarHBondContact O-SG 2.93Å; W566-I602 HydrophobicContact CB-CG2 4.06Å; W566-L603 HydrophobicContact CD2-CD1 4.14Å; W566-L603 HydrophobicContact CD2-CD2 4.21Å; W566-L603 HydrophobicContact CD2-CG 4.14Å; W566-L603 HydrophobicContact CE3-CD1 4.36Å; W566-L603 HydrophobicContact CE3-CD2 3.64Å; W566-L603 HydrophobicContact CE3-CG 4.07Å; W566-L603 HydrophobicContact CH2-CD1 4.12Å; W566-L603 HydrophobicContact CH2-CD2 3.93Å; W566-L603 HydrophobicContact CZ2-CD1 3.9Å; W566-L603 HydrophobicContact CZ2-CD2 4.49Å; W566-L603 HydrophobicContact CZ3-CD1 4.38Å; W566-L603 HydrophobicContact CZ3-CD2 3.52Å; W566-L603 HydrophobicContact CZ3-CG 4.3Å; W566-L624 HydrophobicContact CH2-CD1 4.39Å; W566-L624 HydrophobicContact CH2-CD2 4.4Å; W566-L624 HydrophobicContact CZ3-CD1 3.85Å; W566-L624 HydrophobicContact CZ3-CG 4.44Å; W566-L628 HydrophobicContact CH2-CD1 3.86Å; W566-L628 HydrophobicContact CH2-CD2 3.9Å; W566-L628 HydrophobicContact CH2-CG 4.22Å; W566-L628 HydrophobicContact CZ3-CD1 4.33Å; W566-L628 HydrophobicContact CZ3-CD2 3.95Å; W566-L628 HydrophobicContact CZ3-CG 4.25Å; W566-F636 HydrophobicContact CZ2-CE1 4.45Å
567L76.4Confident69.4Low9 Ų964 Ų645%0.04734%0.341CS..Hα-helixtrans-59.8-44.1177.6-168.966.8000111.2W563 K564 S565 H571 Y574 W584 L588 I602W563-L567 HydrophobicContact CZ3-CD2 4.21Å; W563-L567 WeakPolarHBondContact O-CB 2.91Å; W563-L567 PolarHBondContact O-N 2.94Å; K564-L567 PolarHBondContact O-N 2.94Å; S565-L567 VanDerWaalsContact C-N 3.34Å; S565-L567 PolarHBondContact O-N 2.95Å; L567-H571 CarbonylContact O-C 3.58Å; L567-H571 WeakPolarHBondContact O-CA 3.46Å; L567-H571 WeakPolarHBondContact O-CB 3.32Å; L567-H571 PolarHBondContact O-N 3.29Å; L567-Y574 HydrophobicContact CD1-CD1 4.31Å; L567-Y574 HydrophobicContact CD1-CG 4.47Å; L567-Y574 HydrophobicContact CD2-CD1 3.53Å; L567-Y574 HydrophobicContact CD2-CE1 3.52Å; L567-Y574 HydrophobicContact CD2-CG 4.45Å; L567-Y574 HydrophobicContact CG-CD1 3.88Å; L567-Y574 HydrophobicContact CG-CE1 4.34Å; L567-Y574 HydrophobicContact CG-CG 4.43Å; L567-W584 HydrophobicContact CD1-CD2 4.37Å; L567-W584 HydrophobicContact CD1-CE3 3.9Å; L567-W584 HydrophobicContact CD1-CH2 3.78Å; L567-W584 HydrophobicContact CD1-CZ2 4.24Å; L567-W584 HydrophobicContact CD1-CZ3 3.61Å; L567-L588 HydrophobicContact CD2-CD2 4.34Å; L567-I602 HydrophobicContact CB-CD1 4.1Å; L567-I602 HydrophobicContact CD1-CD1 4.25Å; L567-I602 HydrophobicContact CD1-CG1 4.15Å; L567-I602 HydrophobicContact CD1-CG2 4.47Å
568K76.7Confident69Low120 Ų12066.5 Ų66.552%0.52236%0.355SS..Hα-helixtrans-66.1-41.1176.5-170.3-173173.9-133.40112.8K564 S565 W566 P572 E631K564-K568 PolarHBondContact O-N 2.88Å; S565-K568 PolarHBondContact O-N 3.29Å; W566-K568 VanDerWaalsContact C-N 3.32Å; W566-K568 PolarHBondContact O-N 3.5Å; K568-P572 WeakPolarHBondContact O-CA 3.4Å; K568-E631 IonicContact NZ-OE1 3.59Å; K568-E631 IonicContact NZ-OE2 2.8Å; K568-E631 PolarHBondContact NZ-OE2 2.91Å
569I74.3Confident68.2Low9 Ų968 Ų685%0.04635%0.351CS..Hα-helixtrans-66.5-49.1179.5-68.7156.5000110.8P561 S565 W566 Q627 L628 E631 Y633P561-I569 HydrophobicContact CB-CD1 4.31Å; S565-I569 WeakPolarHBondContact O-CB 3.33Å; S565-I569 VanDerWaalsContact O-CD1 3.25Å; S565-I569 WeakPolarHBondContact O-CD1 3.46Å; S565-I569 WeakPolarHBondContact O-CG1 3.36Å; S565-I569 PolarHBondContact O-N 2.88Å; W566-I569 HydrophobicContact CE3-CD1 4.29Å; W566-I569 PolarHBondContact O-N 3.05Å; I569-Q627 HydrophobicContact CG2-CB 3.92Å; I569-L628 HydrophobicContact CD1-CD2 3.75Å; I569-E631 HydrophobicContact CG1-CB 4.11Å; I569-E631 HydrophobicContact CG1-CG 3.82Å; I569-Y633 HydrophobicContact CD1-CD2 4.2Å; I569-Y633 HydrophobicContact CD1-CE2 4.07Å
570C73.6Confident67.4Low11 Ų1169 Ų697%0.07437%0.365CS..Hα-helixtrans-80.9-35.5-173.1-70.70000112.6W566 I602 W606W566-C570 VanDerWaalsContact O-CB 3.25Å; W566-C570 WeakPolarHBondContact O-CB 3.04Å; W566-C570 PolarHBondContact O-N 2.85Å; W566-C570 PolarHBondContact O-SG 2.93Å; C570-I602 HydrophobicContact CB-CG2 4.07Å; C570-W606 HydrophobicContact CB-CB 3.83Å; C570-W606 HydrophobicContact CB-CG 3.85Å
571H71.2Confident66.8Low23 Ų2371.9 Ų71.911%0.10638%0.378CS..  trans-132.270.8-176.3-59.6-70.2000110.8L567 T573 Y574 W584L567-H571 CarbonylContact O-C 3.58Å; L567-H571 WeakPolarHBondContact O-CA 3.46Å; L567-H571 WeakPolarHBondContact O-CB 3.32Å; L567-H571 PolarHBondContact O-N 3.29Å; H571-T573 PolarHBondContact O-N 3.14Å; H571-T573 VanDerWaalsContact O-N 3.15Å; H571-Y574 VanDerWaalsContact O-CB 3.24Å; H571-Y574 WeakPolarHBondContact O-CB 3.12Å; H571-Y574 PolarHBondContact O-N 3.45Å; H571-W584 AromaticContact CD2-CH2 3.42Å; H571-W584 VanDerWaalsContact CD2-CH2 3.42Å; H571-W584 WeakPolarHBondContact CD2-CH2 3.35Å; H571-W584 AromaticContact CD2-CZ2 3.3Å; H571-W584 WeakPolarHBondContact CD2-CZ2 3.44Å; H571-W584 AromaticContact CG-CZ2 3.77Å; H571-W584 AromaticContact NE2-CH2 3.6Å; H571-W584 AromaticContact NE2-CZ2 3.48Å; H571-W584 WeakPolarHBondContact NE2-CZ2 3.42Å
572P60.2Low66.1Low101 Ų10178.3 Ų78.366%0.65641%0.408SS*.THydrogen-bonded Turntrans-64-2018025.4-34.3000113.4K568 Y574K568-P572 WeakPolarHBondContact O-CA 3.4Å; P572-Y574 VanDerWaalsContact C-N 3.33Å
573T63.8Low65.7Low130 Ų13079.7 Ų79.780%0.79842%0.415SS*.THydrogen-bonded Turntrans-80.4-12.217451.30000113.4H571 N575H571-T573 PolarHBondContact O-N 3.14Å; H571-T573 VanDerWaalsContact O-N 3.15Å; T573-N575 PolarHBondContact O-N 2.99Å
574Y62Low65.4Low49 Ų4979.5 Ų79.519%0.19241%0.414CS..  trans-69.7125.8177.2179.8-96.5000109.9L567 H571 P572 E576 W584 L588L567-Y574 HydrophobicContact CD1-CD1 4.31Å; L567-Y574 HydrophobicContact CD1-CG 4.47Å; L567-Y574 HydrophobicContact CD2-CD1 3.53Å; L567-Y574 HydrophobicContact CD2-CE1 3.52Å; L567-Y574 HydrophobicContact CD2-CG 4.45Å; L567-Y574 HydrophobicContact CG-CD1 3.88Å; L567-Y574 HydrophobicContact CG-CE1 4.34Å; L567-Y574 HydrophobicContact CG-CG 4.43Å; H571-Y574 VanDerWaalsContact O-CB 3.24Å; H571-Y574 WeakPolarHBondContact O-CB 3.12Å; H571-Y574 PolarHBondContact O-N 3.45Å; P572-Y574 VanDerWaalsContact C-N 3.33Å; Y574-E576 HydrophobicContact CE1-CG 3.97Å; Y574-W584 HydrophobicContact CD2-CB 4.49Å; Y574-W584 AromaticContact CD2-CD1 3.63Å; Y574-W584 HydrophobicContact CD2-CD2 4.46Å; Y574-W584 AromaticContact CD2-CG 3.98Å; Y574-W584 HydrophobicContact CD2-CG 3.98Å; Y574-W584 AromaticContact CD2-NE1 3.98Å; Y574-W584 HydrophobicContact CE2-CB 3.63Å; Y574-W584 AromaticContact CE2-CD1 3.58Å; Y574-W584 HydrophobicContact CE2-CD2 4.36Å; Y574-W584 AromaticContact CE2-CG 3.59Å; Y574-W584 HydrophobicContact CE2-CG 3.59Å; Y574-L588 VanDerWaalsContact OH-CD1 3.31Å; Y574-L588 WeakPolarHBondContact OH-CD1 3.34Å
575N58.1Low64.9Low92 Ų9276.5 Ų76.549%0.49241%0.408SS..  trans-121.9123.7177.1-140.8-1.1000107.4T573 L577 N578T573-N575 PolarHBondContact O-N 2.99Å; N575-L577 PolarHBondContact O-N 2.97Å; N575-N578 PolarHBondContact O-N 3.43Å
576E56Low64.6Low117 Ų11781.1 Ų81.155%0.54743%0.426SS..THydrogen-bonded Turntrans-56.3-26.6-178.2-74.4-177.7168.300112.4Y574 N578 H579Y574-E576 HydrophobicContact CE1-CG 3.97Å; E576-N578 VanDerWaalsContact C-N 3.33Å; E576-H579 PolarHBondContact O-ND1 2.84Å
577L53Low64.1Low146 Ų14682.5 Ų82.576%0.76443%0.434SS*.THydrogen-bonded Turntrans-71.2-22.8176.6-68.4167.5000113.7N575 H579N575-L577 PolarHBondContact O-N 2.97Å; L577-H579 VanDerWaalsContact C-N 3.31Å; L577-H579 PolarHBondContact O-N 2.83Å
578N52Low64.1Low94 Ų9483.6 Ų83.650%0.50344%0.44SS..  trans-8279.4176-74.9-9.4000109.3N575 E576 S580N575-N578 PolarHBondContact O-N 3.43Å; E576-N578 VanDerWaalsContact C-N 3.33Å; N578-S580 PolarHBondContact O-N 2.78Å
579H46.7Very low64Low172 Ų17282.2 Ų82.280%0.79644%0.438SS*.THydrogen-bonded Turntrans-60.80.2173.9-75.1-13.4000114.9E576 L577 D581E576-H579 PolarHBondContact O-ND1 2.84Å; L577-H579 VanDerWaalsContact C-N 3.31Å; L577-H579 PolarHBondContact O-N 2.83Å; H579-D581 VanDerWaalsContact C-N 3.28Å; H579-D581 PolarHBondContact O-N 2.7Å
580S50.3Low63.9Low105 Ų10585.6 Ų85.673%0.73445%0.453SS*.THydrogen-bonded Turntrans-67.1-23.6-178.347.60000113.8N578 Q582N578-S580 PolarHBondContact O-N 2.78Å; S580-Q582 PolarHBondContact O-N 3.07Å
581D57.9Low63.8Low79 Ų7987.1 Ų87.142%0.42246%0.46SS..  trans-88.884.4176.2-98.8-35.7000111.8H579 N583 W584 S585H579-D581 VanDerWaalsContact C-N 3.28Å; H579-D581 PolarHBondContact O-N 2.7Å; D581-N583 PolarHBondContact O-N 2.98Å; D581-N583 VanDerWaalsContact O-N 3.1Å; D581-W584 HydrophobicContact CB-CB 4.11Å; D581-W584 HydrophobicContact CB-CG 4.2Å; D581-W584 PolarHBondContact O-N 3.09Å; D581-S585 PolarHBondContact O-N 2.85Å
582Q62.3Low63.8Low140 Ų14094.6 Ų94.665%0.65449%0.492SS*.Hα-helixtrans-54.7-29173.4-154.1175.915.700111.7S580 S585 K586S580-Q582 PolarHBondContact O-N 3.07Å; Q582-S585 PolarHBondContact O-N 2.85Å; Q582-S585 PolarHBondContact O-OG 2.81Å; Q582-K586 PolarHBondContact O-N 2.81Å
583N69.8Low64.5Low111 Ų11196.5 Ų96.559%0.59450%0.496SS*.Hα-helixtrans-65.4-46.8175.5-70.6-17000112.5D581 S585 K586 V587D581-N583 PolarHBondContact O-N 2.98Å; D581-N583 VanDerWaalsContact O-N 3.1Å; N583-S585 VanDerWaalsContact C-N 3.32Å; N583-S585 PolarHBondContact O-N 3.25Å; N583-K586 PolarHBondContact O-N 2.86Å; N583-V587 WeakPolarHBondContact O-CG2 3.27Å; N583-V587 PolarHBondContact O-N 2.6Å
584W70.5Confident64.9Low19 Ų1993.3 Ų93.37%0.07247%0.473CS..Hα-helixtrans-64.6-37.3177.2-77.1119.5000111.7L567 H571 Y574 D581 K586 V587 L588 I602 N605L567-W584 HydrophobicContact CD1-CD2 4.37Å; L567-W584 HydrophobicContact CD1-CE3 3.9Å; L567-W584 HydrophobicContact CD1-CH2 3.78Å; L567-W584 HydrophobicContact CD1-CZ2 4.24Å; L567-W584 HydrophobicContact CD1-CZ3 3.61Å; H571-W584 AromaticContact CD2-CH2 3.42Å; H571-W584 VanDerWaalsContact CD2-CH2 3.42Å; H571-W584 WeakPolarHBondContact CD2-CH2 3.35Å; H571-W584 AromaticContact CD2-CZ2 3.3Å; H571-W584 WeakPolarHBondContact CD2-CZ2 3.44Å; H571-W584 AromaticContact CG-CZ2 3.77Å; H571-W584 AromaticContact NE2-CH2 3.6Å; H571-W584 AromaticContact NE2-CZ2 3.48Å; H571-W584 WeakPolarHBondContact NE2-CZ2 3.42Å; Y574-W584 HydrophobicContact CD2-CB 4.49Å; Y574-W584 AromaticContact CD2-CD1 3.63Å; Y574-W584 HydrophobicContact CD2-CD2 4.46Å; Y574-W584 AromaticContact CD2-CG 3.98Å; Y574-W584 HydrophobicContact CD2-CG 3.98Å; Y574-W584 AromaticContact CD2-NE1 3.98Å; Y574-W584 HydrophobicContact CE2-CB 3.63Å; Y574-W584 AromaticContact CE2-CD1 3.58Å; Y574-W584 HydrophobicContact CE2-CD2 4.36Å; Y574-W584 AromaticContact CE2-CG 3.59Å; Y574-W584 HydrophobicContact CE2-CG 3.59Å; D581-W584 HydrophobicContact CB-CB 4.11Å; D581-W584 HydrophobicContact CB-CG 4.2Å; D581-W584 PolarHBondContact O-N 3.09Å; W584-K586 VanDerWaalsContact C-N 3.27Å; W584-K586 PolarHBondContact O-N 2.8Å; W584-V587 HydrophobicContact CE3-CB 4.12Å; W584-V587 HydrophobicContact CE3-CG1 4.14Å; W584-V587 HydrophobicContact CE3-CG2 4.5Å; W584-V587 HydrophobicContact CZ3-CG1 4.11Å; W584-V587 PolarHBondContact O-N 2.86Å; W584-V587 VanDerWaalsContact O-N 3.17Å; W584-L588 WeakPolarHBondContact O-CB 3.48Å; W584-L588 WeakPolarHBondContact O-CG 3.49Å; W584-L588 PolarHBondContact O-N 3.25Å; W584-I602 HydrophobicContact CH2-CG1 4.2Å; W584-I602 HydrophobicContact CH2-CG2 4.49Å; W584-I602 HydrophobicContact CZ3-CB 4.49Å; W584-I602 HydrophobicContact CZ3-CG1 3.71Å; W584-N605 HydrophobicContact CH2-CB 4.34Å; W584-N605 WeakPolarHBondContact CH2-ND2 3.37Å; W584-N605 WeakPolarHBondContact CZ2-ND2 3.36Å
585S69.4Low65.7Low57 Ų5796.6 Ų96.640%0.39949%0.491SS..Hα-helixtrans-59.1-38175.677.10000112.7D581 Q582 N583 N589D581-S585 PolarHBondContact O-N 2.85Å; Q582-S585 PolarHBondContact O-N 2.85Å; Q582-S585 PolarHBondContact O-OG 2.81Å; N583-S585 VanDerWaalsContact C-N 3.32Å; N583-S585 PolarHBondContact O-N 3.25Å; S585-N589 VanDerWaalsContact O-CG 3.26Å; S585-N589 PolarHBondContact O-N 2.85Å; S585-N589 VanDerWaalsContact O-N 3.11Å; S585-N589 PolarHBondContact O-ND2 3.16Å
586K72.4Confident66.5Low119 Ų11997.4 Ų97.452%0.51749%0.487SS..Hα-helixtrans-68.8-44.7174.4-68.5175.7-177.3174.70111.7Q582 N583 W584 L588 N589 F590Q582-K586 PolarHBondContact O-N 2.81Å; N583-K586 PolarHBondContact O-N 2.86Å; W584-K586 VanDerWaalsContact C-N 3.27Å; W584-K586 PolarHBondContact O-N 2.8Å; K586-L588 VanDerWaalsContact C-N 3.33Å; K586-L588 PolarHBondContact O-N 3.3Å; K586-N589 WeakPolarHBondContact O-CB 3.25Å; K586-N589 PolarHBondContact O-N 3.03Å; K586-F590 WeakPolarHBondContact O-CD2 3.49Å
587V70.6Confident67.6Low29 Ų2996.1 Ų96.118%0.17648%0.477CS..Hα-helixtrans-60.3-44177175.50000110.8N583 W584 N589 F590 T598 L601N583-V587 WeakPolarHBondContact O-CG2 3.27Å; N583-V587 PolarHBondContact O-N 2.6Å; W584-V587 HydrophobicContact CE3-CB 4.12Å; W584-V587 HydrophobicContact CE3-CG1 4.14Å; W584-V587 HydrophobicContact CE3-CG2 4.5Å; W584-V587 HydrophobicContact CZ3-CG1 4.11Å; W584-V587 PolarHBondContact O-N 2.86Å; W584-V587 VanDerWaalsContact O-N 3.17Å; V587-N589 VanDerWaalsContact C-N 3.3Å; V587-N589 PolarHBondContact O-N 2.73Å; V587-F590 WeakPolarHBondContact O-CB 3.5Å; V587-F590 PolarHBondContact O-N 3.3Å; V587-F590 VanDerWaalsContact O-N 3.15Å; V587-T598 HydrophobicContact CG1-CG2 4.38Å; V587-L601 HydrophobicContact CG1-CB 3.85Å; V587-L601 HydrophobicContact CG1-CD1 4.05Å; V587-L601 HydrophobicContact CG2-CD1 4.41Å
588L74.5Confident68.9Low32 Ų3289.1 Ų89.117%0.16844%0.441CS..Hα-helixtrans-69.7-24.8179.7-67178.4000113.2W563 L567 Y574 W584 K586 F590 N591W563-L588 HydrophobicContact CE3-CD2 3.89Å; W563-L588 HydrophobicContact CH2-CD2 3.84Å; W563-L588 HydrophobicContact CZ3-CD2 3.23Å; L567-L588 HydrophobicContact CD2-CD2 4.34Å; Y574-L588 VanDerWaalsContact OH-CD1 3.31Å; Y574-L588 WeakPolarHBondContact OH-CD1 3.34Å; W584-L588 WeakPolarHBondContact O-CB 3.48Å; W584-L588 WeakPolarHBondContact O-CG 3.49Å; W584-L588 PolarHBondContact O-N 3.25Å; K586-L588 VanDerWaalsContact C-N 3.33Å; K586-L588 PolarHBondContact O-N 3.3Å; L588-F590 PolarHBondContact O-N 3.43Å; L588-N591 VanDerWaalsContact O-CB 3.22Å; L588-N591 WeakPolarHBondContact O-CB 3.32Å; L588-N591 PolarHBondContact O-N 2.85Å
589N76.3Confident70.3Confident92 Ų9285.1 Ų85.149%0.49242%0.42SS..Hα-helixtrans-65.2-28.8172-77.8-28.3000112.4S585 K586 V587 N591 K592S585-N589 VanDerWaalsContact O-CG 3.26Å; S585-N589 PolarHBondContact O-N 2.85Å; S585-N589 VanDerWaalsContact O-N 3.11Å; S585-N589 PolarHBondContact O-ND2 3.16Å; K586-N589 WeakPolarHBondContact O-CB 3.25Å; K586-N589 PolarHBondContact O-N 3.03Å; V587-N589 VanDerWaalsContact C-N 3.3Å; V587-N589 PolarHBondContact O-N 2.73Å; N589-N591 PolarHBondContact O-N 3.03Å; N589-K592 WeakPolarHBondContact O-CB 3.45Å; N589-K592 PolarHBondContact O-N 3.1Å
590F71.6Confident72Confident79 Ų7978.3 Ų78.335%0.34639%0.388SS..G310 helixtrans-67.3-18.7174.8-68.9-76.6000113.3K586 V587 L588 K592 I593 D594 Y597 T598 L601K586-F590 WeakPolarHBondContact O-CD2 3.49Å; V587-F590 WeakPolarHBondContact O-CB 3.5Å; V587-F590 PolarHBondContact O-N 3.3Å; V587-F590 VanDerWaalsContact O-N 3.15Å; L588-F590 PolarHBondContact O-N 3.43Å; F590-K592 PolarHBondContact O-N 3.12Å; F590-I593 HydrophobicContact CD1-CD1 4.2Å; F590-I593 CarbonylContact O-C 3.56Å; F590-I593 WeakPolarHBondContact O-CA 3.4Å; F590-I593 PolarHBondContact O-N 3.15Å; F590-D594 PolarHBondContact O-N 2.98Å; F590-Y597 HydrophobicContact CB-CD1 4.06Å; F590-Y597 AromaticContact CD1-CD1 3.93Å; F590-Y597 HydrophobicContact CD1-CD1 3.93Å; F590-Y597 AromaticContact CD1-CE1 3.93Å; F590-Y597 HydrophobicContact CD1-CE1 3.93Å; F590-Y597 HydrophobicContact CD2-CE1 4.38Å; F590-Y597 HydrophobicContact CE1-CE1 4.12Å; F590-Y597 AromaticContact CG-CD1 3.95Å; F590-Y597 HydrophobicContact CG-CD1 3.95Å; F590-Y597 HydrophobicContact CG-CE1 4.07Å; F590-Y597 HydrophobicContact CZ-CE1 4.42Å; F590-T598 VanDerWaalsContact C-OG1 3.27Å; F590-L601 HydrophobicContact CD2-CD1 4.03Å; F590-L601 HydrophobicContact CE2-CD1 4.44Å
591N71.8Confident73.4Confident43 Ų4374.9 Ų74.923%0.2336%0.361CS..G310 helixtrans-61-29174.7172.738.2000111.8W563 L588 N589 I593 Q595 T598W563-N591 VanDerWaalsContact CE2-CG 3.49Å; W563-N591 VanDerWaalsContact CE2-ND2 3.35Å; W563-N591 HydrophobicContact CZ2-CB 4.44Å; W563-N591 WeakPolarHBondContact CZ2-ND2 3.24Å; W563-N591 VanDerWaalsContact NE1-CG 3.27Å; W563-N591 PolarHBondContact NE1-ND2 2.79Å; W563-N591 PolarHBondContact NE1-OD1 2.76Å; L588-N591 VanDerWaalsContact O-CB 3.22Å; L588-N591 WeakPolarHBondContact O-CB 3.32Å; L588-N591 PolarHBondContact O-N 2.85Å; N589-N591 PolarHBondContact O-N 3.03Å; N591-I593 PolarHBondContact O-N 3.06Å; N591-Q595 WeakPolarHBondContact OD1-CG 3.45Å; N591-T598 WeakPolarHBondContact CA-OG1 3.32Å; N591-T598 HydrophobicContact CB-CG2 4.23Å; N591-T598 PolarHBondContact N-OG1 2.89Å
592K71.3Confident74.6Confident180 Ų18071.1 Ų71.178%0.78334%0.341SS*.G310 helixtrans-67.1-23.6174.2-64-178.7-179.8175.10112.7N589 F590N589-K592 WeakPolarHBondContact O-CB 3.45Å; N589-K592 PolarHBondContact O-N 3.1Å; F590-K592 PolarHBondContact O-N 3.12Å
593I74.1Confident75.5Confident142 Ų14264.7 Ų64.773%0.72831%0.311SS*.THydrogen-bonded Turntrans-98.3-58.1-177.7-55.7172.5000109.8F590 N591F590-I593 HydrophobicContact CD1-CD1 4.2Å; F590-I593 CarbonylContact O-C 3.56Å; F590-I593 WeakPolarHBondContact O-CA 3.4Å; F590-I593 PolarHBondContact O-N 3.15Å; N591-I593 PolarHBondContact O-N 3.06Å
594D72.6Confident76.1Confident62 Ų6261.6 Ų61.633%0.33229%0.294SS..  trans-148115.8179.9-166.6-12.6000112.1F590 R596 Y597 T598F590-D594 PolarHBondContact O-N 2.98Å; D594-R596 PolarHBondContact O-N 3.16Å; D594-R596 VanDerWaalsContact OD1-CB 3.25Å; D594-R596 WeakPolarHBondContact OD1-CB 3.47Å; D594-R596 WeakPolarHBondContact OD1-CG 3.49Å; D594-R596 PolarHBondContact OD1-N 2.92Å; D594-Y597 PolarHBondContact O-N 3.43Å; D594-T598 PolarHBondContact O-N 3.4Å; D594-T598 VanDerWaalsContact O-N 3.16Å; D594-T598 PolarHBondContact O-OG1 2.9Å
595Q78.6Confident76.6Confident119 Ų11962.7 Ų62.756%0.55630%0.302SS*.Hα-helixtrans-60.5-30.3173.9-76.217811.900112.9N591 S599N591-Q595 WeakPolarHBondContact OD1-CG 3.45Å; Q595-S599 PolarHBondContact O-N 2.85Å; Q595-S599 PolarHBondContact O-OG 2.78Å
596R75.1Confident77.1Confident109 Ų10960.2 Ų60.241%0.41128%0.283SS..Hα-helixtrans-70.8-46.8179.7-57.9175.8-169.2160.110.7110.5I551 N555 D594 T598 S599 Y600I551-R596 HydrophobicContact CG2-CB 3.98Å; I551-R596 HydrophobicContact CG2-CG 4.4Å; N555-R596 VanDerWaalsContact ND2-CZ 3.34Å; N555-R596 PolarHBondContact ND2-NE 3.42Å; N555-R596 PolarHBondContact OD1-NE 2.69Å; D594-R596 PolarHBondContact O-N 3.16Å; D594-R596 VanDerWaalsContact OD1-CB 3.25Å; D594-R596 WeakPolarHBondContact OD1-CB 3.47Å; D594-R596 WeakPolarHBondContact OD1-CG 3.49Å; D594-R596 PolarHBondContact OD1-N 2.92Å; R596-T598 PolarHBondContact O-N 3.06Å; R596-S599 WeakPolarHBondContact O-CB 3.44Å; R596-S599 PolarHBondContact O-N 2.86Å; R596-S599 VanDerWaalsContact O-N 3.14Å; R596-Y600 WeakPolarHBondContact O-CB 3.21Å; R596-Y600 PolarHBondContact O-N 2.85Å
597Y79Confident77.5Confident89 Ų8955.3 Ų55.335%0.34926%0.263SS..Hα-helixtrans-62.2-38178.2-170.5-114.5000110.9W548 F590 D594 Y600 L601W548-Y597 HydrophobicContact CH2-CD2 4.38Å; W548-Y597 HydrophobicContact CZ2-CD2 4.5Å; F590-Y597 HydrophobicContact CB-CD1 4.06Å; F590-Y597 AromaticContact CD1-CD1 3.93Å; F590-Y597 HydrophobicContact CD1-CD1 3.93Å; F590-Y597 AromaticContact CD1-CE1 3.93Å; F590-Y597 HydrophobicContact CD1-CE1 3.93Å; F590-Y597 HydrophobicContact CD2-CE1 4.38Å; F590-Y597 HydrophobicContact CE1-CE1 4.12Å; F590-Y597 AromaticContact CG-CD1 3.95Å; F590-Y597 HydrophobicContact CG-CD1 3.95Å; F590-Y597 HydrophobicContact CG-CE1 4.07Å; F590-Y597 HydrophobicContact CZ-CE1 4.42Å; D594-Y597 PolarHBondContact O-N 3.43Å; Y597-Y600 HydrophobicContact CD2-CD1 4.29Å; Y597-Y600 HydrophobicContact CE2-CD1 4.22Å; Y597-Y600 WeakPolarHBondContact O-CB 3.21Å; Y597-Y600 PolarHBondContact O-N 2.81Å; Y597-L601 HydrophobicContact CD1-CD1 3.86Å; Y597-L601 HydrophobicContact CD1-CG 4.35Å; Y597-L601 HydrophobicContact CE1-CD1 3.53Å; Y597-L601 HydrophobicContact CE1-CD2 4.41Å; Y597-L601 HydrophobicContact CE1-CG 4.07Å; Y597-L601 HydrophobicContact CE2-CD2 4.5Å; Y597-L601 WeakPolarHBondContact O-CG 3.32Å; Y597-L601 PolarHBondContact O-N 3.1Å
598T79.5Confident77.7Confident0 Ų060.6 Ų60.60%029%0.286CS..Hα-helixtrans-62.3-46.6173-49.30000111.9W563 V587 F590 N591 D594 R596 Y600 L601 I602W563-T598 HydrophobicContact CB-CG2 4.26Å; W563-T598 HydrophobicContact CD2-CG2 4.33Å; W563-T598 HydrophobicContact CE3-CG2 4.31Å; W563-T598 HydrophobicContact CG-CG2 4.34Å; V587-T598 HydrophobicContact CG1-CG2 4.38Å; F590-T598 VanDerWaalsContact C-OG1 3.27Å; N591-T598 WeakPolarHBondContact CA-OG1 3.32Å; N591-T598 HydrophobicContact CB-CG2 4.23Å; N591-T598 PolarHBondContact N-OG1 2.89Å; D594-T598 PolarHBondContact O-N 3.4Å; D594-T598 VanDerWaalsContact O-N 3.16Å; D594-T598 PolarHBondContact O-OG1 2.9Å; R596-T598 PolarHBondContact O-N 3.06Å; T598-Y600 VanDerWaalsContact C-N 3.28Å; T598-Y600 PolarHBondContact O-N 2.83Å; T598-L601 PolarHBondContact O-N 3.22Å; T598-I602 HydrophobicContact CG2-CD1 4.14Å; T598-I602 WeakPolarHBondContact O-CD1 3.25Å; T598-I602 VanDerWaalsContact O-CG1 3.29Å; T598-I602 WeakPolarHBondContact O-CG1 3.32Å; T598-I602 PolarHBondContact O-N 2.87Å
599S81.4Confident77.6Confident10 Ų1062.9 Ų62.97%0.0730%0.297CS..Hα-helixtrans-60.8-38.3175.4-54.20000112.1W563 Q595 R596 I602 L603W563-S599 WeakPolarHBondContact CB-OG 3.36Å; Q595-S599 PolarHBondContact O-N 2.85Å; Q595-S599 PolarHBondContact O-OG 2.78Å; R596-S599 WeakPolarHBondContact O-CB 3.44Å; R596-S599 PolarHBondContact O-N 2.86Å; R596-S599 VanDerWaalsContact O-N 3.14Å; S599-I602 PolarHBondContact O-N 2.84Å; S599-L603 PolarHBondContact O-N 3.45Å
600Y83.4Confident77.5Confident28 Ų2859.4 Ų59.411%0.1128%0.278CS..Hα-helixtrans-62.5-49.9175.9173.2-100.4000111.7I547 W548 I551 R596 Y597 T598 I602 L603 L604I547-Y600 HydrophobicContact CB-CD2 4.15Å; I547-Y600 HydrophobicContact CB-CE2 4.14Å; I547-Y600 HydrophobicContact CD1-CE2 4.19Å; I547-Y600 HydrophobicContact CG2-CD2 3.6Å; I547-Y600 HydrophobicContact CG2-CE2 4.05Å; W548-Y600 AromaticContact CD1-CE2 3.61Å; W548-Y600 HydrophobicContact CD2-CD2 4.04Å; W548-Y600 HydrophobicContact CD2-CE2 4.38Å; W548-Y600 AromaticContact CE2-CD2 3.58Å; W548-Y600 AromaticContact CE2-CE2 3.73Å; W548-Y600 AromaticContact CE2-CG 3.94Å; W548-Y600 HydrophobicContact CG-CD2 4.3Å; W548-Y600 HydrophobicContact CG-CE2 4.32Å; W548-Y600 HydrophobicContact CH2-CG 4.27Å; W548-Y600 AromaticContact CZ2-CD1 3.97Å; W548-Y600 HydrophobicContact CZ2-CD1 3.97Å; W548-Y600 AromaticContact CZ2-CD2 3.92Å; W548-Y600 HydrophobicContact CZ2-CD2 3.92Å; W548-Y600 HydrophobicContact CZ2-CE1 4.3Å; W548-Y600 HydrophobicContact CZ2-CE2 4.29Å; W548-Y600 AromaticContact CZ2-CG 3.76Å; W548-Y600 HydrophobicContact CZ2-CG 3.76Å; W548-Y600 AromaticContact NE1-CD2 3.57Å; W548-Y600 AromaticContact NE1-CE2 3.2Å; W548-Y600 AromaticContact NE1-CZ 3.58Å; I551-Y600 VanDerWaalsContact CD1-CB 3.48Å; I551-Y600 HydrophobicContact CD1-CD2 4.13Å; I551-Y600 HydrophobicContact CD1-CG 4.32Å; R596-Y600 WeakPolarHBondContact O-CB 3.21Å; R596-Y600 PolarHBondContact O-N 2.85Å; Y597-Y600 HydrophobicContact CD2-CD1 4.29Å; Y597-Y600 HydrophobicContact CE2-CD1 4.22Å; Y597-Y600 WeakPolarHBondContact O-CB 3.21Å; Y597-Y600 PolarHBondContact O-N 2.81Å; T598-Y600 VanDerWaalsContact C-N 3.28Å; T598-Y600 PolarHBondContact O-N 2.83Å; Y600-I602 VanDerWaalsContact C-N 3.31Å; Y600-I602 PolarHBondContact O-N 2.83Å; Y600-L603 PolarHBondContact O-N 2.79Å; Y600-L604 HydrophobicContact CE1-CD2 4.04Å; Y600-L604 VanDerWaalsContact O-CB 3.27Å; Y600-L604 WeakPolarHBondContact O-CB 3.2Å; Y600-L604 PolarHBondContact O-N 2.96Å
601L80.4Confident77.3Confident34 Ų3458.9 Ų58.918%0.17829%0.285CS..Hα-helixtrans-61.9-38178.3-69.8176.5000112.3V587 F590 Y597 T598 N605V587-L601 HydrophobicContact CG1-CB 3.85Å; V587-L601 HydrophobicContact CG1-CD1 4.05Å; V587-L601 HydrophobicContact CG2-CD1 4.41Å; F590-L601 HydrophobicContact CD2-CD1 4.03Å; F590-L601 HydrophobicContact CE2-CD1 4.44Å; Y597-L601 HydrophobicContact CD1-CD1 3.86Å; Y597-L601 HydrophobicContact CD1-CG 4.35Å; Y597-L601 HydrophobicContact CE1-CD1 3.53Å; Y597-L601 HydrophobicContact CE1-CD2 4.41Å; Y597-L601 HydrophobicContact CE1-CG 4.07Å; Y597-L601 HydrophobicContact CE2-CD2 4.5Å; Y597-L601 WeakPolarHBondContact O-CG 3.32Å; Y597-L601 PolarHBondContact O-N 3.1Å; T598-L601 PolarHBondContact O-N 3.22Å; L601-N605 WeakPolarHBondContact O-CB 3.31Å; L601-N605 PolarHBondContact O-N 2.79Å
602I82.2Confident77.1Confident0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-62.7-49.3175.6-67.8160.6000110.8W563 W566 L567 C570 W584 T598 S599 Y600 N605 W606W563-I602 HydrophobicContact CB-CD1 4.15Å; W563-I602 HydrophobicContact CE3-CD1 4.27Å; W563-I602 WeakPolarHBondContact O-CD1 3.43Å; W566-I602 HydrophobicContact CB-CG2 4.06Å; L567-I602 HydrophobicContact CB-CD1 4.1Å; L567-I602 HydrophobicContact CD1-CD1 4.25Å; L567-I602 HydrophobicContact CD1-CG1 4.15Å; L567-I602 HydrophobicContact CD1-CG2 4.47Å; C570-I602 HydrophobicContact CB-CG2 4.07Å; W584-I602 HydrophobicContact CH2-CG1 4.2Å; W584-I602 HydrophobicContact CH2-CG2 4.49Å; W584-I602 HydrophobicContact CZ3-CB 4.49Å; W584-I602 HydrophobicContact CZ3-CG1 3.71Å; T598-I602 HydrophobicContact CG2-CD1 4.14Å; T598-I602 WeakPolarHBondContact O-CD1 3.25Å; T598-I602 VanDerWaalsContact O-CG1 3.29Å; T598-I602 WeakPolarHBondContact O-CG1 3.32Å; T598-I602 PolarHBondContact O-N 2.87Å; S599-I602 PolarHBondContact O-N 2.84Å; Y600-I602 VanDerWaalsContact C-N 3.31Å; Y600-I602 PolarHBondContact O-N 2.83Å; I602-N605 PolarHBondContact O-N 2.82Å; I602-W606 PolarHBondContact O-N 3.24Å
603L81.6Confident76.5Confident4 Ų458 Ų582%0.02130%0.295CS..Hα-helixtrans-65.4-39.1179.3-83.4170.1000112.5I547 I551 W566 S599 Y600 W606 I607 L624I547-L603 HydrophobicContact CG2-CB 3.71Å; I547-L603 HydrophobicContact CG2-CD1 3.88Å; I547-L603 HydrophobicContact CG2-CG 4.45Å; I551-L603 HydrophobicContact CD1-CD1 4.15Å; I551-L603 HydrophobicContact CG1-CD1 4.07Å; W566-L603 HydrophobicContact CD2-CD1 4.14Å; W566-L603 HydrophobicContact CD2-CD2 4.21Å; W566-L603 HydrophobicContact CD2-CG 4.14Å; W566-L603 HydrophobicContact CE3-CD1 4.36Å; W566-L603 HydrophobicContact CE3-CD2 3.64Å; W566-L603 HydrophobicContact CE3-CG 4.07Å; W566-L603 HydrophobicContact CH2-CD1 4.12Å; W566-L603 HydrophobicContact CH2-CD2 3.93Å; W566-L603 HydrophobicContact CZ2-CD1 3.9Å; W566-L603 HydrophobicContact CZ2-CD2 4.49Å; W566-L603 HydrophobicContact CZ3-CD1 4.38Å; W566-L603 HydrophobicContact CZ3-CD2 3.52Å; W566-L603 HydrophobicContact CZ3-CG 4.3Å; S599-L603 PolarHBondContact O-N 3.45Å; Y600-L603 PolarHBondContact O-N 2.79Å; L603-W606 WeakPolarHBondContact O-CB 3.37Å; L603-W606 PolarHBondContact O-N 2.87Å; L603-I607 WeakPolarHBondContact O-CG1 3.42Å; L603-I607 PolarHBondContact O-N 3.1Å; L603-L624 HydrophobicContact CD2-CD1 3.91Å
604L82.2Confident76Confident46 Ų4659.2 Ų59.224%0.24130%0.298CS..Hα-helixtrans-62.4-46.2176.8-171.669.3000110.7D544 I547 Y600 W606 I607 E608D544-L604 WeakPolarHBondContact OD1-CD1 3.43Å; I547-L604 HydrophobicContact CD1-CD1 3.91Å; Y600-L604 HydrophobicContact CE1-CD2 4.04Å; Y600-L604 VanDerWaalsContact O-CB 3.27Å; Y600-L604 WeakPolarHBondContact O-CB 3.2Å; Y600-L604 PolarHBondContact O-N 2.96Å; L604-W606 VanDerWaalsContact C-N 3.32Å; L604-W606 PolarHBondContact O-N 3.21Å; L604-I607 PolarHBondContact O-N 3.38Å; L604-I607 VanDerWaalsContact O-N 3.13Å; L604-E608 PolarHBondContact O-N 3.1Å
605N80.7Confident75.6Confident43 Ų4358.2 Ų58.223%0.2329%0.294CS..Hα-helixtrans-61.6-40176.3-170.627000111.9W584 L601 I602 I607 E608 I609W584-N605 HydrophobicContact CH2-CB 4.34Å; W584-N605 WeakPolarHBondContact CH2-ND2 3.37Å; W584-N605 WeakPolarHBondContact CZ2-ND2 3.36Å; L601-N605 WeakPolarHBondContact O-CB 3.31Å; L601-N605 PolarHBondContact O-N 2.79Å; I602-N605 PolarHBondContact O-N 2.82Å; N605-I607 VanDerWaalsContact C-N 3.32Å; N605-I607 PolarHBondContact O-N 2.94Å; N605-E608 PolarHBondContact O-N 2.92Å; N605-I609 WeakPolarHBondContact O-CB 3.48Å; N605-I609 WeakPolarHBondContact O-CG1 3.47Å; N605-I609 PolarHBondContact O-N 3.01Å; N605-I609 WeakPolarHBondContact OD1-CD1 3.25Å
606W80.7Confident74.8Confident4 Ų460.8 Ų60.82%0.01531%0.312CS..Hα-helixtrans-60.8-40.5173.9-178.183.5000112.5I542 C570 I602 L603 L604 N610 I617 P619 L624I542-W606 HydrophobicContact CD1-CZ3 3.91Å; C570-W606 HydrophobicContact CB-CB 3.83Å; C570-W606 HydrophobicContact CB-CG 3.85Å; I602-W606 PolarHBondContact O-N 3.24Å; L603-W606 WeakPolarHBondContact O-CB 3.37Å; L603-W606 PolarHBondContact O-N 2.87Å; L604-W606 VanDerWaalsContact C-N 3.32Å; L604-W606 PolarHBondContact O-N 3.21Å; W606-N610 VanDerWaalsContact CD1-ND2 3.28Å; W606-N610 PolarHBondContact NE1-ND2 3.36Å; W606-N610 VanDerWaalsContact O-CB 3.3Å; W606-N610 WeakPolarHBondContact O-CB 3.4Å; W606-N610 PolarHBondContact O-N 3.07Å; W606-N610 VanDerWaalsContact O-N 3.16Å; W606-N610 PolarHBondContact O-ND2 3.09Å; W606-I617 HydrophobicContact CZ2-CG2 4.35Å; W606-P619 HydrophobicContact CZ3-CB 4.12Å; W606-L624 HydrophobicContact CE3-CD1 4.17Å; W606-L624 HydrophobicContact CH2-CB 4.01Å; W606-L624 HydrophobicContact CH2-CD1 4.09Å; W606-L624 HydrophobicContact CZ2-CD1 4.43Å; W606-L624 HydrophobicContact CZ3-CB 4.27Å; W606-L624 HydrophobicContact CZ3-CD1 3.94Å
607I78.8Confident74.4Confident17 Ų1758.9 Ų58.99%0.08731%0.309CS..Hα-helixtrans-66.9-44.2175.8-68.4167.7000110.3I542 I547 L603 L604 N605 N610 S611 P619I542-I607 HydrophobicContact CB-CD1 3.99Å; I542-I607 HydrophobicContact CG2-CD1 3.61Å; I547-I607 HydrophobicContact CD1-CD1 3.37Å; I547-I607 HydrophobicContact CG1-CD1 3.65Å; L603-I607 WeakPolarHBondContact O-CG1 3.42Å; L603-I607 PolarHBondContact O-N 3.1Å; L604-I607 PolarHBondContact O-N 3.38Å; L604-I607 VanDerWaalsContact O-N 3.13Å; N605-I607 VanDerWaalsContact C-N 3.32Å; N605-I607 PolarHBondContact O-N 2.94Å; I607-N610 PolarHBondContact O-N 2.91Å; I607-S611 WeakPolarHBondContact O-CB 3.44Å; I607-S611 PolarHBondContact O-N 3.42Å; I607-S611 PolarHBondContact O-OG 3.05Å; I607-P619 HydrophobicContact CB-CB 4.4Å; I607-P619 HydrophobicContact CG1-CB 4.31Å; I607-P619 HydrophobicContact CG2-CB 4.14Å; I607-P619 HydrophobicContact CG2-CG 4.5Å
608E75.2Confident73.9Confident140 Ų14061.7 Ų61.765%0.65432%0.323SS*.Hα-helixtrans-61.2-47.9-179-170.1173.9-178.100111.9L604 N605 N610 S611L604-E608 PolarHBondContact O-N 3.1Å; N605-E608 PolarHBondContact O-N 2.92Å; E608-N610 PolarHBondContact O-N 3.32Å; E608-S611 PolarHBondContact O-N 2.84Å
609I72.8Confident73.5Confident79 Ų7962.5 Ų62.541%0.40533%0.328SS..Hα-helixtrans-61.8-46.4178.1-71.8161.9000111.2N605 S611 N612 T615N605-I609 WeakPolarHBondContact O-CB 3.48Å; N605-I609 WeakPolarHBondContact O-CG1 3.47Å; N605-I609 PolarHBondContact O-N 3.01Å; N605-I609 WeakPolarHBondContact OD1-CD1 3.25Å; I609-S611 VanDerWaalsContact C-N 3.31Å; I609-S611 PolarHBondContact O-N 3.01Å; I609-N612 PolarHBondContact O-N 3.3Å; I609-T615 WeakPolarHBondContact O-CG2 2.92Å
610N73.6Confident73.2Confident19 Ų1962.7 Ų62.710%0.10233%0.329CS..Hα-helixtrans-78.9-14-177.8-71.7-50.4000113.5W606 I607 E608 N612 T615 I617 P619W606-N610 VanDerWaalsContact CD1-ND2 3.28Å; W606-N610 PolarHBondContact NE1-ND2 3.36Å; W606-N610 VanDerWaalsContact O-CB 3.3Å; W606-N610 WeakPolarHBondContact O-CB 3.4Å; W606-N610 PolarHBondContact O-N 3.07Å; W606-N610 VanDerWaalsContact O-N 3.16Å; W606-N610 PolarHBondContact O-ND2 3.09Å; I607-N610 PolarHBondContact O-N 2.91Å; E608-N610 PolarHBondContact O-N 3.32Å; N610-N612 PolarHBondContact O-N 3.04Å; N610-T615 PolarHBondContact O-OG1 3.26Å; N610-I617 VanDerWaalsContact CB-O 3.23Å; N610-I617 WeakPolarHBondContact CB-O 3.33Å; N610-I617 PolarHBondContact OD1-O 3.36Å; N610-P619 HydrophobicContact CB-CB 4.1Å; N610-P619 HydrophobicContact CB-CG 4.41Å; N610-P619 VanDerWaalsContact O-CD 3.28Å; N610-P619 WeakPolarHBondContact O-CD 3.37Å
611S69Low72.7Confident69 Ų6961.5 Ų61.548%0.48332%0.324SS..THydrogen-bonded Turntrans-70.9-16.4175.2-68.30000112.3I607 E608 I609I607-S611 WeakPolarHBondContact O-CB 3.44Å; I607-S611 PolarHBondContact O-N 3.42Å; I607-S611 PolarHBondContact O-OG 3.05Å; E608-S611 PolarHBondContact O-N 2.84Å; I609-S611 VanDerWaalsContact C-N 3.31Å; I609-S611 PolarHBondContact O-N 3.01Å
612N67.5Low72.4Confident78 Ų7861.7 Ų61.742%0.41733%0.325SS..SBendtrans-68125.2174.7-171.7-4.6000110.2I609 N610 E614 T615I609-N612 PolarHBondContact O-N 3.3Å; N610-N612 PolarHBondContact O-N 3.04Å; N612-E614 PolarHBondContact O-N 3.23Å; N612-T615 HydrophobicContact CB-CG2 4.33Å; N612-T615 PolarHBondContact O-N 3.2Å; N612-T615 PolarHBondContact O-OG1 3.02Å
613P58.2Low72.2Confident125 Ų12563.6 Ų63.681%0.81234%0.335SS*.THydrogen-bonded Turntrans-56.9-20.8-178.221-35.7000115.2T615P613-T615 VanDerWaalsContact C-N 3.26Å; P613-T615 PolarHBondContact O-N 3.49Å
614E63.3Low72Confident169 Ų16963.5 Ų63.579%0.7933%0.334SS*.THydrogen-bonded Turntrans-74.3-14177.9-62.4-169.7161.300113.7N612N612-E614 PolarHBondContact O-N 3.23Å
615T64.2Low71.9Confident41 Ų4161.6 Ų61.625%0.25232%0.324SS..  trans-83.3139.3-177.762.40000112.5I609 N610 N612 P613 I617I609-T615 WeakPolarHBondContact O-CG2 2.92Å; N610-T615 PolarHBondContact O-OG1 3.26Å; N612-T615 HydrophobicContact CB-CG2 4.33Å; N612-T615 PolarHBondContact O-N 3.2Å; N612-T615 PolarHBondContact O-OG1 3.02Å; P613-T615 VanDerWaalsContact C-N 3.26Å; P613-T615 PolarHBondContact O-N 3.49Å; T615-I617 VanDerWaalsContact C-N 3.27Å; T615-I617 PolarHBondContact O-N 3.13Å
616N62.5Low71.8Confident172 Ų17265.5 Ų65.592%0.9234%0.339SS*.SBendtrans-68.5-24.5179.2-74.3-26.5000113.3
617I65.3Low71.7Confident70 Ų7067.4 Ų67.436%0.35935%0.348SS..SBendtrans-107.5107.4-174.8-56.1174.1000108.2W606 N610 T615 N623W606-I617 HydrophobicContact CZ2-CG2 4.35Å; N610-I617 VanDerWaalsContact CB-O 3.23Å; N610-I617 WeakPolarHBondContact CB-O 3.33Å; N610-I617 PolarHBondContact OD1-O 3.36Å; T615-I617 VanDerWaalsContact C-N 3.27Å; T615-I617 PolarHBondContact O-N 3.13Å; I617-N623 HydrophobicContact CG2-CB 3.99Å
618K69.3Low71.7Confident148 Ų14866.6 Ų66.664%0.64334%0.344SS*.  trans-72.9146.8173.4-66.7-176.3178.1-179.60111.4T620 N623K618-T620 HydrophobicContact CB-CG2 4.15Å; K618-T620 PolarHBondContact O-N 2.93Å; K618-N623 PolarHBondContact N-ND2 3.41Å; K618-N623 WeakPolarHBondContact O-CB 3.4Å; K618-N623 PolarHBondContact O-ND2 3.05Å
619P72.1Confident71.8Confident16 Ų1663.6 Ų63.610%0.10433%0.332CS..  trans-80.764.7-178.533.3-34.2000110.5S541 I542 W606 I607 N610S541-P619 WeakPolarHBondContact CA-O 3.5Å; I542-P619 PolarHBondContact N-O 2.91Å; I542-P619 VanDerWaalsContact N-O 3.08Å; W606-P619 HydrophobicContact CZ3-CB 4.12Å; I607-P619 HydrophobicContact CB-CB 4.4Å; I607-P619 HydrophobicContact CG1-CB 4.31Å; I607-P619 HydrophobicContact CG2-CB 4.14Å; I607-P619 HydrophobicContact CG2-CG 4.5Å; N610-P619 HydrophobicContact CB-CB 4.1Å; N610-P619 HydrophobicContact CB-CG 4.41Å; N610-P619 VanDerWaalsContact O-CD 3.28Å; N610-P619 WeakPolarHBondContact O-CD 3.37Å
620T75Confident71.9Confident14 Ų1467.7 Ų67.79%0.08635%0.349CS..BIsolated β-bridgetrans-104.1155.3177.263.70000111R540 K618 M622 N623 L624R540-T620 WeakPolarHBondContact O-CA 2.84Å; R540-T620 WeakPolarHBondContact O-CB 3.01Å; K618-T620 HydrophobicContact CB-CG2 4.15Å; K618-T620 PolarHBondContact O-N 2.93Å; T620-M622 PolarHBondContact O-N 3.12Å; T620-N623 PolarHBondContact O-N 3.16Å; T620-N623 PolarHBondContact OG1-N 3.21Å; T620-L624 PolarHBondContact O-N 3.49Å; T620-L624 VanDerWaalsContact O-N 3.09Å
621Y73Confident72Confident4 Ų470.4 Ų70.42%0.01636%0.361CS..Hα-helixtrans-53.7-38.7174.6-75-82.9000112.6R540 I542 D546 I550 N623 L624 F625 L644 F645R540-Y621 HydrophobicContact CB-CD2 4.11Å; R540-Y621 HydrophobicContact CB-CE2 4.39Å; R540-Y621 HydrophobicContact CG-CD2 4.47Å; R540-Y621 HydrophobicContact CG-CE2 4.26Å; R540-Y621 WeakPolarHBondContact O-CD2 3.46Å; R540-Y621 PolarHBondContact O-N 3.25Å; I542-Y621 HydrophobicContact CG1-CD1 3.98Å; I542-Y621 HydrophobicContact CG1-CD2 3.96Å; I542-Y621 HydrophobicContact CG1-CE1 4.21Å; I542-Y621 HydrophobicContact CG1-CE2 4.16Å; I542-Y621 HydrophobicContact CG1-CG 3.9Å; D546-Y621 HydrophobicContact CB-CE1 4.32Å; D546-Y621 WeakPolarHBondContact CB-OH 3.41Å; D546-Y621 PolarHBondContact OD1-OH 3.22Å; D546-Y621 PolarHBondContact OD2-OH 3.04Å; I550-Y621 HydrophobicContact CD1-CE1 4.33Å; Y621-N623 VanDerWaalsContact C-N 3.35Å; Y621-N623 PolarHBondContact O-N 3.01Å; Y621-L624 PolarHBondContact O-N 2.78Å; Y621-F625 HydrophobicContact CD1-CE2 4.13Å; Y621-F625 AromaticContact CD1-CZ 3.83Å; Y621-F625 HydrophobicContact CD1-CZ 3.83Å; Y621-F625 VanDerWaalsContact O-CB 3.23Å; Y621-F625 WeakPolarHBondContact O-CB 3.13Å; Y621-F625 WeakPolarHBondContact O-CD2 3.15Å; Y621-F625 WeakPolarHBondContact O-CG 3.48Å; Y621-F625 PolarHBondContact O-N 3.23Å; Y621-L644 HydrophobicContact CE1-CD1 4.03Å; Y621-F645 HydrophobicContact CD1-CZ 4.03Å; Y621-F645 HydrophobicContact CD2-CZ 4.31Å; Y621-F645 HydrophobicContact CE1-CZ 4.07Å; Y621-F645 HydrophobicContact CE2-CZ 4.38Å; Y621-F645 HydrophobicContact CG-CZ 4.09Å
622M72.7Confident72.3Confident37 Ų3769.7 Ų69.718%0.18236%0.364CS..Hα-helixtrans-61-43.5177.7-87.4-65.8-115.600112.3L534 T620 K626L534-M622 HydrophobicContact CD2-CE 3.69Å; L534-M622 HydrophobicContact CG-CE 3.91Å; T620-M622 PolarHBondContact O-N 3.12Å; M622-K626 VanDerWaalsContact O-CB 3.3Å; M622-K626 WeakPolarHBondContact O-CB 3.42Å; M622-K626 WeakPolarHBondContact O-CG 3.01Å; M622-K626 PolarHBondContact O-N 3.2Å
623N77.8Confident72.9Confident40 Ų4068.6 Ų68.621%0.21436%0.355CS..Hα-helixtrans-70.7-42-178.5-72.5-14.9000111.2I617 K618 T620 Y621 K626 Q627I617-N623 HydrophobicContact CG2-CB 3.99Å; K618-N623 PolarHBondContact N-ND2 3.41Å; K618-N623 WeakPolarHBondContact O-CB 3.4Å; K618-N623 PolarHBondContact O-ND2 3.05Å; T620-N623 PolarHBondContact O-N 3.16Å; T620-N623 PolarHBondContact OG1-N 3.21Å; Y621-N623 VanDerWaalsContact C-N 3.35Å; Y621-N623 PolarHBondContact O-N 3.01Å; N623-K626 PolarHBondContact O-N 3.09Å; N623-Q627 WeakPolarHBondContact O-CG 3.19Å; N623-Q627 PolarHBondContact O-N 3.38Å
624L78.9Confident73.6Confident2 Ų266.4 Ų66.41%0.0134%0.336CS..Hα-helixtrans-60.4-47.4173.5-171.973.9000111.7I542 I550 W566 L603 W606 T620 Y621 K626 Q627 L628I542-L624 HydrophobicContact CD1-CB 3.82Å; I542-L624 HydrophobicContact CD1-CD2 3.85Å; I542-L624 HydrophobicContact CD1-CG 4.37Å; I550-L624 HydrophobicContact CD1-CD2 4.04Å; W566-L624 HydrophobicContact CH2-CD1 4.39Å; W566-L624 HydrophobicContact CH2-CD2 4.4Å; W566-L624 HydrophobicContact CZ3-CD1 3.85Å; W566-L624 HydrophobicContact CZ3-CG 4.44Å; L603-L624 HydrophobicContact CD2-CD1 3.91Å; W606-L624 HydrophobicContact CE3-CD1 4.17Å; W606-L624 HydrophobicContact CH2-CB 4.01Å; W606-L624 HydrophobicContact CH2-CD1 4.09Å; W606-L624 HydrophobicContact CZ2-CD1 4.43Å; W606-L624 HydrophobicContact CZ3-CB 4.27Å; W606-L624 HydrophobicContact CZ3-CD1 3.94Å; T620-L624 PolarHBondContact O-N 3.49Å; T620-L624 VanDerWaalsContact O-N 3.09Å; Y621-L624 PolarHBondContact O-N 2.78Å; L624-K626 PolarHBondContact O-N 3.35Å; L624-Q627 PolarHBondContact O-N 2.94Å; L624-L628 HydrophobicContact CG-CD1 4.37Å; L624-L628 PolarHBondContact O-N 2.99Å
625F79.7Confident74.1Confident7 Ų764.1 Ų64.13%0.03133%0.326CS..Hα-helixtrans-66.8-35.3179-67.3-22.2000112.6Y621 L628 I629 V637 C640 K641 L644 F645Y621-F625 HydrophobicContact CD1-CE2 4.13Å; Y621-F625 AromaticContact CD1-CZ 3.83Å; Y621-F625 HydrophobicContact CD1-CZ 3.83Å; Y621-F625 VanDerWaalsContact O-CB 3.23Å; Y621-F625 WeakPolarHBondContact O-CB 3.13Å; Y621-F625 WeakPolarHBondContact O-CD2 3.15Å; Y621-F625 WeakPolarHBondContact O-CG 3.48Å; Y621-F625 PolarHBondContact O-N 3.23Å; F625-L628 HydrophobicContact CD1-CD1 4.16Å; F625-L628 PolarHBondContact O-N 3.18Å; F625-I629 WeakPolarHBondContact O-CB 3.25Å; F625-I629 WeakPolarHBondContact O-CD1 3.48Å; F625-I629 WeakPolarHBondContact O-CG1 2.93Å; F625-I629 PolarHBondContact O-N 2.95Å; F625-V637 HydrophobicContact CB-CG1 3.77Å; F625-V637 HydrophobicContact CB-CG2 4.3Å; F625-V637 HydrophobicContact CD1-CG1 4.06Å; F625-V637 HydrophobicContact CD1-CG2 4.11Å; F625-V637 HydrophobicContact CD2-CG1 4.28Å; F625-V637 HydrophobicContact CG-CG1 3.78Å; F625-V637 HydrophobicContact CG-CG2 4.45Å; F625-C640 HydrophobicContact CE1-CB 3.84Å; F625-C640 HydrophobicContact CZ-CB 3.94Å; F625-K641 HydrophobicContact CD2-CG 4.23Å; F625-K641 HydrophobicContact CE2-CG 3.86Å; F625-K641 HydrophobicContact CZ-CG 4.48Å; F625-L644 HydrophobicContact CZ-CD1 4.42Å; F625-F645 HydrophobicContact CE2-CE2 4.07Å; F625-F645 HydrophobicContact CZ-CE2 4.37Å
626K78.6Confident74.7Confident124 Ų12462.2 Ų62.254%0.53931%0.314SS..Hα-helixtrans-62.4-42.7172.4-80.5174.6179.5-179.30111.5M622 N623 L624 I629 H630M622-K626 VanDerWaalsContact O-CB 3.3Å; M622-K626 WeakPolarHBondContact O-CB 3.42Å; M622-K626 WeakPolarHBondContact O-CG 3.01Å; M622-K626 PolarHBondContact O-N 3.2Å; N623-K626 PolarHBondContact O-N 3.09Å; L624-K626 PolarHBondContact O-N 3.35Å; K626-I629 PolarHBondContact O-N 2.98Å; K626-H630 WeakPolarHBondContact O-CB 3.42Å; K626-H630 PolarHBondContact O-N 2.98Å
627Q77.8Confident75.2Confident44 Ų4454.1 Ų54.121%0.20627%0.271CS..Hα-helixtrans-65.1-43.4176.4-74-178.9-2000111.9I569 N623 L624 I629 H630 E631I569-Q627 HydrophobicContact CG2-CB 3.92Å; N623-Q627 WeakPolarHBondContact O-CG 3.19Å; N623-Q627 PolarHBondContact O-N 3.38Å; L624-Q627 PolarHBondContact O-N 2.94Å; Q627-I629 PolarHBondContact O-N 3.25Å; Q627-H630 WeakPolarHBondContact O-CB 3.27Å; Q627-H630 PolarHBondContact O-N 3.27Å; Q627-E631 PolarHBondContact O-N 3.19Å; Q627-E631 VanDerWaalsContact O-N 3.12Å
628L78.6Confident75.6Confident1 Ų155.3 Ų55.31%0.00528%0.277CS..Hα-helixtrans-61.4-41.9174.9-78166.9000112.9P561 W566 I569 L624 F625 H630 E631 G632 Y633 F636 V637P561-L628 HydrophobicContact CB-CD2 4.45Å; P561-L628 HydrophobicContact CG-CD2 4.02Å; W566-L628 HydrophobicContact CH2-CD1 3.86Å; W566-L628 HydrophobicContact CH2-CD2 3.9Å; W566-L628 HydrophobicContact CH2-CG 4.22Å; W566-L628 HydrophobicContact CZ3-CD1 4.33Å; W566-L628 HydrophobicContact CZ3-CD2 3.95Å; W566-L628 HydrophobicContact CZ3-CG 4.25Å; I569-L628 HydrophobicContact CD1-CD2 3.75Å; L624-L628 HydrophobicContact CG-CD1 4.37Å; L624-L628 PolarHBondContact O-N 2.99Å; F625-L628 HydrophobicContact CD1-CD1 4.16Å; F625-L628 PolarHBondContact O-N 3.18Å; L628-H630 VanDerWaalsContact C-N 3.31Å; L628-E631 PolarHBondContact O-N 3.02Å; L628-G632 PolarHBondContact O-N 2.89Å; L628-Y633 HydrophobicContact CD2-CD2 4.18Å; L628-Y633 HydrophobicContact CD2-CG 4.26Å; L628-Y633 WeakPolarHBondContact O-CB 3.42Å; L628-Y633 PolarHBondContact O-N 3.4Å; L628-F636 HydrophobicContact CD1-CD1 4.44Å; L628-V637 HydrophobicContact CB-CG2 3.48Å; L628-V637 VanDerWaalsContact CB-CG2 3.48Å; L628-V637 HydrophobicContact CD1-CG2 3.87Å; L628-V637 HydrophobicContact CG-CG2 4.34Å
629I78.5Confident75.8Confident77 Ų7750.3 Ų50.340%0.39526%0.257SS..Hα-helixtrans-61.7-41.9175.3-74.2164.8000110.6F625 K626 Q627 E631 G632 N634 V637F625-I629 WeakPolarHBondContact O-CB 3.25Å; F625-I629 WeakPolarHBondContact O-CD1 3.48Å; F625-I629 WeakPolarHBondContact O-CG1 2.93Å; F625-I629 PolarHBondContact O-N 2.95Å; K626-I629 PolarHBondContact O-N 2.98Å; Q627-I629 PolarHBondContact O-N 3.25Å; I629-E631 VanDerWaalsContact C-N 3.32Å; I629-E631 PolarHBondContact O-N 3.43Å; I629-G632 PolarHBondContact O-N 3.42Å; I629-G632 VanDerWaalsContact O-N 3.11Å; I629-N634 VanDerWaalsContact CA-OD1 3.29Å; I629-N634 WeakPolarHBondContact CA-OD1 3.35Å; I629-N634 WeakPolarHBondContact CB-OD1 3.45Å; I629-N634 WeakPolarHBondContact CG1-OD1 3.32Å; I629-N634 VanDerWaalsContact CG2-OD1 3.32Å; I629-N634 WeakPolarHBondContact CG2-OD1 3.47Å; I629-V637 HydrophobicContact CD1-CG1 4.21Å; I629-V637 HydrophobicContact CG1-CB 4.41Å; I629-V637 HydrophobicContact CG1-CG1 4.36Å; I629-V637 HydrophobicContact CG1-CG2 4.21Å
630H75Confident76Confident164 Ų16449.5 Ų49.576%0.75925%0.252SS*.Hα-helixtrans-63.2-37.3179.6-169.961.7000112.7K626 Q627 L628 G632K626-H630 WeakPolarHBondContact O-CB 3.42Å; K626-H630 PolarHBondContact O-N 2.98Å; Q627-H630 WeakPolarHBondContact O-CB 3.27Å; Q627-H630 PolarHBondContact O-N 3.27Å; L628-H630 VanDerWaalsContact C-N 3.31Å; H630-G632 VanDerWaalsContact C-N 3.28Å; H630-G632 PolarHBondContact O-N 3.44Å
631E75Confident75.9Confident76 Ų7652.1 Ų52.136%0.35526%0.262SS..THydrogen-bonded Turntrans-84.84.1176.1-70.8-79.2156.800113.4K568 I569 Q627 L628 I629 Y633K568-E631 IonicContact NZ-OE1 3.59Å; K568-E631 IonicContact NZ-OE2 2.8Å; K568-E631 PolarHBondContact NZ-OE2 2.91Å; I569-E631 HydrophobicContact CG1-CB 4.11Å; I569-E631 HydrophobicContact CG1-CG 3.82Å; Q627-E631 PolarHBondContact O-N 3.19Å; Q627-E631 VanDerWaalsContact O-N 3.12Å; L628-E631 PolarHBondContact O-N 3.02Å; I629-E631 VanDerWaalsContact C-N 3.32Å; I629-E631 PolarHBondContact O-N 3.43Å; E631-Y633 HydrophobicContact CB-CD2 4.1Å; E631-Y633 HydrophobicContact CB-CE2 4.2Å
632G76.6Confident75.7Confident54 Ų5456.2 Ų56.256%0.55728%0.281SS*.THydrogen-bonded Turntrans964.3171.800000116.3L628 I629 H630 N634L628-G632 PolarHBondContact O-N 2.89Å; I629-G632 PolarHBondContact O-N 3.42Å; I629-G632 VanDerWaalsContact O-N 3.11Å; H630-G632 VanDerWaalsContact C-N 3.28Å; H630-G632 PolarHBondContact O-N 3.44Å; G632-N634 PolarHBondContact O-N 3.38Å
633Y78.2Confident75.6Confident55 Ų5560.1 Ų60.122%0.21630%0.297CS..  trans-84.245-178.6-64.9-81.8000113.3N559 P561 S565 I569 L628 E631 E635 F636 V637N559-Y633 WeakPolarHBondContact O-CD1 3.29Å; P561-Y633 HydrophobicContact CB-CD1 4.34Å; P561-Y633 HydrophobicContact CB-CE1 4.07Å; P561-Y633 HydrophobicContact CB-CE2 4.4Å; S565-Y633 VanDerWaalsContact CB-OH 3.31Å; S565-Y633 WeakPolarHBondContact CB-OH 3.39Å; S565-Y633 PolarHBondContact OG-OH 2.86Å; I569-Y633 HydrophobicContact CD1-CD2 4.2Å; I569-Y633 HydrophobicContact CD1-CE2 4.07Å; L628-Y633 HydrophobicContact CD2-CD2 4.18Å; L628-Y633 HydrophobicContact CD2-CG 4.26Å; L628-Y633 WeakPolarHBondContact O-CB 3.42Å; L628-Y633 PolarHBondContact O-N 3.4Å; E631-Y633 HydrophobicContact CB-CD2 4.1Å; E631-Y633 HydrophobicContact CB-CE2 4.2Å; Y633-E635 PolarHBondContact O-N 2.96Å; Y633-F636 PolarHBondContact O-N 3.12Å; Y633-V637 WeakPolarHBondContact O-CG2 3.44Å; Y633-V637 PolarHBondContact O-N 2.84Å; Y633-V637 VanDerWaalsContact O-N 3.09Å
634N73.8Confident75.1Confident79 Ų7960 Ų6042%0.42230%0.297SS..Hα-helixtrans-62.4-45.4-175.1-68.3-26.9000112.9I629 G632 F636 V637 I638I629-N634 VanDerWaalsContact CA-OD1 3.29Å; I629-N634 WeakPolarHBondContact CA-OD1 3.35Å; I629-N634 WeakPolarHBondContact CB-OD1 3.45Å; I629-N634 WeakPolarHBondContact CG1-OD1 3.32Å; I629-N634 VanDerWaalsContact CG2-OD1 3.32Å; I629-N634 WeakPolarHBondContact CG2-OD1 3.47Å; G632-N634 PolarHBondContact O-N 3.38Å; N634-F636 VanDerWaalsContact C-N 3.32Å; N634-F636 PolarHBondContact O-N 2.84Å; N634-V637 PolarHBondContact O-N 3.29Å; N634-I638 WeakPolarHBondContact O-CG1 3.21Å; N634-I638 PolarHBondContact O-N 3.25Å; N634-I638 VanDerWaalsContact O-N 3.11Å
635E73.4Confident74.3Confident122 Ų12261.6 Ų61.657%0.5730%0.303SS*.Hα-helixtrans-63.7-39.3179.8-65.7-170.715800111.9N559 Y633 I638 L639N559-E635 PolarHBondContact ND2-OE2 3.34Å; Y633-E635 PolarHBondContact O-N 2.96Å; E635-I638 PolarHBondContact O-N 3.41Å; E635-L639 PolarHBondContact O-N 3.01Å; E635-L639 VanDerWaalsContact O-N 3.09Å
636F76.8Confident73.2Confident0 Ų067.7 Ų67.70%034%0.336CS..Hα-helixtrans-65.2-42.6177.4-174.7-106.5000111.5I550 L553 C554 A560 P561 W566 L628 Y633 N634 I638 L639 C640I550-F636 HydrophobicContact CG2-CE1 4.2Å; I550-F636 HydrophobicContact CG2-CZ 4.26Å; L553-F636 HydrophobicContact CB-CE2 4.22Å; L553-F636 HydrophobicContact CB-CZ 4.41Å; C554-F636 WeakPolarHBondContact SG-CZ 3.34Å; A560-F636 HydrophobicContact CB-CD2 3.82Å; A560-F636 HydrophobicContact CB-CE2 3.76Å; P561-F636 HydrophobicContact CG-CD1 4.1Å; P561-F636 HydrophobicContact CG-CE1 3.98Å; W566-F636 HydrophobicContact CZ2-CE1 4.45Å; L628-F636 HydrophobicContact CD1-CD1 4.44Å; Y633-F636 PolarHBondContact O-N 3.12Å; N634-F636 VanDerWaalsContact C-N 3.32Å; N634-F636 PolarHBondContact O-N 2.84Å; F636-I638 VanDerWaalsContact C-N 3.33Å; F636-I638 PolarHBondContact O-N 3.33Å; F636-L639 WeakPolarHBondContact O-CB 3.37Å; F636-L639 PolarHBondContact O-N 3.17Å; F636-L639 VanDerWaalsContact O-N 3.13Å; F636-C640 WeakPolarHBondContact CE1-SG 3.46Å; F636-C640 VanDerWaalsContact CZ-SG 3.6Å; F636-C640 PolarHBondContact O-N 3.16Å; F636-C640 PolarHBondContact O-SG 3.15Å; F636-C640 VanDerWaalsContact O-SG 3.39Å
637V74.3Confident71.7Confident3 Ų365.1 Ų65.12%0.01833%0.328CS..Hα-helixtrans-61.4-40.1175.8170.50000111.9F625 L628 I629 Y633 N634 L639 C640 K641F625-V637 HydrophobicContact CB-CG1 3.77Å; F625-V637 HydrophobicContact CB-CG2 4.3Å; F625-V637 HydrophobicContact CD1-CG1 4.06Å; F625-V637 HydrophobicContact CD1-CG2 4.11Å; F625-V637 HydrophobicContact CD2-CG1 4.28Å; F625-V637 HydrophobicContact CG-CG1 3.78Å; F625-V637 HydrophobicContact CG-CG2 4.45Å; L628-V637 HydrophobicContact CB-CG2 3.48Å; L628-V637 VanDerWaalsContact CB-CG2 3.48Å; L628-V637 HydrophobicContact CD1-CG2 3.87Å; L628-V637 HydrophobicContact CG-CG2 4.34Å; I629-V637 HydrophobicContact CD1-CG1 4.21Å; I629-V637 HydrophobicContact CG1-CB 4.41Å; I629-V637 HydrophobicContact CG1-CG1 4.36Å; I629-V637 HydrophobicContact CG1-CG2 4.21Å; Y633-V637 WeakPolarHBondContact O-CG2 3.44Å; Y633-V637 PolarHBondContact O-N 2.84Å; Y633-V637 VanDerWaalsContact O-N 3.09Å; N634-V637 PolarHBondContact O-N 3.29Å; V637-L639 VanDerWaalsContact C-N 3.31Å; V637-L639 PolarHBondContact O-N 2.83Å; V637-C640 PolarHBondContact O-N 3.4Å; V637-K641 HydrophobicContact CG1-CD 4.24Å; V637-K641 WeakPolarHBondContact O-CB 3.31Å; V637-K641 WeakPolarHBondContact O-CG 3.36Å; V637-K641 PolarHBondContact O-N 2.93Å
638I73.4Confident69.8Low95 Ų9569.7 Ų69.749%0.48735%0.354SS..Hα-helixtrans-60.8-43.8175.1-66.4166.4000110.2N634 E635 F636 K641 Q642N634-I638 WeakPolarHBondContact O-CG1 3.21Å; N634-I638 PolarHBondContact O-N 3.25Å; N634-I638 VanDerWaalsContact O-N 3.11Å; E635-I638 PolarHBondContact O-N 3.41Å; F636-I638 VanDerWaalsContact C-N 3.33Å; F636-I638 PolarHBondContact O-N 3.33Å; I638-K641 PolarHBondContact O-N 3.45Å; I638-Q642 WeakPolarHBondContact O-CG 3.48Å; I638-Q642 PolarHBondContact O-N 2.92Å
639L72.7Confident67.8Low42 Ų4273.3 Ų73.322%0.2238%0.379CS..Hα-helixtrans-65.2-44.1178.5-171.6148.6000112.2L553 E635 F636 V637 K641 Q642 K643L553-L639 HydrophobicContact CB-CD2 3.99Å; L553-L639 HydrophobicContact CD1-CD2 4.13Å; L553-L639 HydrophobicContact CD2-CD2 3.79Å; L553-L639 HydrophobicContact CG-CD2 4.17Å; E635-L639 PolarHBondContact O-N 3.01Å; E635-L639 VanDerWaalsContact O-N 3.09Å; F636-L639 WeakPolarHBondContact O-CB 3.37Å; F636-L639 PolarHBondContact O-N 3.17Å; F636-L639 VanDerWaalsContact O-N 3.13Å; V637-L639 VanDerWaalsContact C-N 3.31Å; V637-L639 PolarHBondContact O-N 2.83Å; L639-K641 VanDerWaalsContact C-N 3.31Å; L639-K641 PolarHBondContact O-N 2.77Å; L639-Q642 PolarHBondContact O-N 2.94Å; L639-K643 HydrophobicContact CD2-CG 4.22Å; L639-K643 PolarHBondContact O-N 3.36Å
640C75.4Confident65.3Low0 Ų075.2 Ų75.20%040%0.398CS..Hα-helixtrans-57.4-46.2173.1-70.30000110.9F625 F636 V637 Q642 K643 L644F625-C640 HydrophobicContact CE1-CB 3.84Å; F625-C640 HydrophobicContact CZ-CB 3.94Å; F636-C640 WeakPolarHBondContact CE1-SG 3.46Å; F636-C640 VanDerWaalsContact CZ-SG 3.6Å; F636-C640 PolarHBondContact O-N 3.16Å; F636-C640 PolarHBondContact O-SG 3.15Å; F636-C640 VanDerWaalsContact O-SG 3.39Å; V637-C640 PolarHBondContact O-N 3.4Å; C640-Q642 VanDerWaalsContact C-N 3.33Å; C640-Q642 PolarHBondContact O-N 3.23Å; C640-K643 PolarHBondContact O-N 3.29Å; C640-L644 HydrophobicContact CB-CD1 4.16Å; C640-L644 VanDerWaalsContact O-CB 3.24Å; C640-L644 WeakPolarHBondContact O-CB 3.08Å; C640-L644 WeakPolarHBondContact O-CG 3.13Å; C640-L644 PolarHBondContact O-N 3.39Å
641K73.3Confident63.3Low69 Ų6975.8 Ų75.830%0.340%0.398SS..Hα-helixtrans-61.1-41177.9-75.3177.1179.4179.80112.3F625 V637 I638 L639 F645F625-K641 HydrophobicContact CD2-CG 4.23Å; F625-K641 HydrophobicContact CE2-CG 3.86Å; F625-K641 HydrophobicContact CZ-CG 4.48Å; V637-K641 HydrophobicContact CG1-CD 4.24Å; V637-K641 WeakPolarHBondContact O-CB 3.31Å; V637-K641 WeakPolarHBondContact O-CG 3.36Å; V637-K641 PolarHBondContact O-N 2.93Å; I638-K641 PolarHBondContact O-N 3.45Å; L639-K641 VanDerWaalsContact C-N 3.31Å; L639-K641 PolarHBondContact O-N 2.77Å; K641-F645 WeakPolarHBondContact O-CB 3.22Å; K641-F645 WeakPolarHBondContact O-CD2 3.43Å; K641-F645 PolarHBondContact O-N 3.05Å
642Q69.4Low61Low89 Ų8982.9 Ų82.942%0.41642%0.422SS..Hα-helixtrans-66.3-47.5178.6-74.6174.8-3.900112.3I638 L639 C640 N646 I647I638-Q642 WeakPolarHBondContact O-CG 3.48Å; I638-Q642 PolarHBondContact O-N 2.92Å; L639-Q642 PolarHBondContact O-N 2.94Å; C640-Q642 VanDerWaalsContact C-N 3.33Å; C640-Q642 PolarHBondContact O-N 3.23Å; Q642-N646 VanDerWaalsContact O-CA 3.3Å; Q642-N646 WeakPolarHBondContact O-CA 3.17Å; Q642-N646 PolarHBondContact O-N 3.44Å; Q642-I647 PolarHBondContact O-N 3.2Å
643K70.7Confident58.7Low119 Ų11986.5 Ų86.552%0.51743%0.428SS..Hα-helixtrans-76.4-46-174.8-72-112-159.4157.70113.4L553 L639 C640 F645L553-K643 HydrophobicContact CD1-CB 3.99Å; L553-K643 HydrophobicContact CD1-CG 4.5Å; L553-K643 HydrophobicContact CD2-CB 3.93Å; L553-K643 HydrophobicContact CD2-CD 3.48Å; L553-K643 VanDerWaalsContact CD2-CD 3.48Å; L553-K643 HydrophobicContact CD2-CG 3.7Å; L639-K643 HydrophobicContact CD2-CG 4.22Å; L639-K643 PolarHBondContact O-N 3.36Å; C640-K643 PolarHBondContact O-N 3.29Å; K643-F645 VanDerWaalsContact C-N 3.35Å
644L66.2Low56.5Low39 Ų3993.8 Ų93.820%0.20446%0.461CS..Hα-helixtrans-71.1-32.6-177-67.4166.9000112D549 I550 Y621 F625 C640D549-L644 HydrophobicContact CB-CD2 3.59Å; I550-L644 HydrophobicContact CD1-CD1 4.37Å; I550-L644 HydrophobicContact CG1-CD1 3.81Å; Y621-L644 HydrophobicContact CE1-CD1 4.03Å; F625-L644 HydrophobicContact CZ-CD1 4.42Å; C640-L644 HydrophobicContact CB-CD1 4.16Å; C640-L644 VanDerWaalsContact O-CB 3.24Å; C640-L644 WeakPolarHBondContact O-CB 3.08Å; C640-L644 WeakPolarHBondContact O-CG 3.13Å; C640-L644 PolarHBondContact O-N 3.39Å
645F62.4Low54.4Low34 Ų3497.6 Ų97.615%0.14948%0.48CS..Hα-helixtrans-1128.2-173.9-51.3-67000114F537 Y621 F625 K641 K643 I647F537-F645 AromaticContact CD1-CD1 3.99Å; F537-F645 HydrophobicContact CD1-CD1 3.99Å; F537-F645 HydrophobicContact CD1-CE1 4.25Å; F537-F645 HydrophobicContact CD1-CG 4.33Å; F537-F645 HydrophobicContact CE1-CB 4.27Å; F537-F645 AromaticContact CE1-CD1 3.95Å; F537-F645 HydrophobicContact CE1-CD1 3.95Å; F537-F645 HydrophobicContact CE1-CG 4.16Å; F537-F645 HydrophobicContact CZ-CB 4.37Å; Y621-F645 HydrophobicContact CD1-CZ 4.03Å; Y621-F645 HydrophobicContact CD2-CZ 4.31Å; Y621-F645 HydrophobicContact CE1-CZ 4.07Å; Y621-F645 HydrophobicContact CE2-CZ 4.38Å; Y621-F645 HydrophobicContact CG-CZ 4.09Å; F625-F645 HydrophobicContact CE2-CE2 4.07Å; F625-F645 HydrophobicContact CZ-CE2 4.37Å; K641-F645 WeakPolarHBondContact O-CB 3.22Å; K641-F645 WeakPolarHBondContact O-CD2 3.43Å; K641-F645 PolarHBondContact O-N 3.05Å; K643-F645 VanDerWaalsContact C-N 3.35Å; F645-I647 HydrophobicContact CB-CD1 4.13Å; F645-I647 HydrophobicContact CB-CG1 4.01Å; F645-I647 PolarHBondContact O-N 3.12Å; F645-I647 VanDerWaalsContact O-N 3.09Å
646N57.6Low52.4Low135 Ų13598.9 Ų98.972%0.72253%0.526SS*.THydrogen-bonded Turntrans48.137.1-180-86.8-20.3000113.3Q642 N648Q642-N646 VanDerWaalsContact O-CA 3.3Å; Q642-N646 WeakPolarHBondContact O-CA 3.17Å; Q642-N646 PolarHBondContact O-N 3.44Å; N646-N648 PolarHBondContact O-N 3.38Å
647I47.2Very low51.1Low70 Ų70103.8 Ų103.836%0.35955%0.552SS.*  trans-78.582.6175.7-55.2172.8000106.6F537 Q642 F645 S649F537-I647 HydrophobicContact CE2-CD1 4.14Å; F537-I647 HydrophobicContact CZ-CD1 4.44Å; Q642-I647 PolarHBondContact O-N 3.2Å; F645-I647 HydrophobicContact CB-CD1 4.13Å; F645-I647 HydrophobicContact CB-CG1 4.01Å; F645-I647 PolarHBondContact O-N 3.12Å; F645-I647 VanDerWaalsContact O-N 3.09Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 3.42Å
648N37.5Very low49.9Very low141 Ų141109.1 Ų109.175%0.75458%0.58SS**  trans-62.1102.9164.3-78.8-17.9000106.6N646 C650N646-N648 PolarHBondContact O-N 3.38Å; N648-C650 VanDerWaalsContact C-N 3.25Å; N648-C650 PolarHBondContact O-N 2.95Å
649S36.6Very low48.6Very low77 Ų77109.9 Ų109.954%0.53859%0.585SS.*  trans-60.697.2164.155.40000106.4I647 K651I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 3.42Å; S649-K651 PolarHBondContact O-N 2.97Å
650C27Very low47.2Very low116 Ų116113.9 Ų113.978%0.78461%0.607SS**  trans-60.883.5168.4-79.30000107.9N648 R652N648-C650 VanDerWaalsContact C-N 3.25Å; N648-C650 PolarHBondContact O-N 2.95Å; C650-R652 PolarHBondContact O-N 3.11Å
651K31Very low45.4Very low177 Ų177121 Ų12177%0.7764%0.644SS**  trans-63.593.6155.4-81.3-174.8175.5-179.60105S649 N653S649-K651 PolarHBondContact O-N 2.97Å; K651-N653 PolarHBondContact O-N 3.05Å
652R27.4Very low43.6Very low225 Ų225124.5 Ų124.585%0.84967%0.667SS**  trans-6297.1159.3-82.4-177175.6168.4-1.3105.5C650 F654C650-R652 PolarHBondContact O-N 3.11Å; R652-F654 PolarHBondContact O-N 3.32Å; R652-F654 VanDerWaalsContact O-N 3.08Å
653N28.9Very low41.7Very low129 Ų129127 Ų12769%0.6969%0.685SS**  trans-60.4110.6162.7-71.7-16.4000105.7K651 I655K651-N653 PolarHBondContact O-N 3.05Å; N653-I655 VanDerWaalsContact C-N 3.34Å; N653-I655 PolarHBondContact O-N 3.27Å
654F31.5Very low39.5Very low208 Ų208127.6 Ų127.691%0.91270%0.698SS**  trans-60.6103.7163.3-78.4-93000106.1R652R652-F654 PolarHBondContact O-N 3.32Å; R652-F654 VanDerWaalsContact O-N 3.08Å
655I30.9Very low37.3Very low160 Ų160135 Ų13582%0.82174%0.739SS**  trans-84115.2167.3-65.8167.2000105.4N653N653-I655 VanDerWaalsContact C-N 3.34Å; N653-I655 PolarHBondContact O-N 3.27Å
656G29.5Very low35Very low148 Ų148144.2 Ų144.2100%1.52679%0.793SS**  trans46.70149.300000118

Retrieved 656 of 656 residues in 571.6 ms (Link to these results)

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