A0A077YZW9_TRITR Loading...

Malate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077YZW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.6Low93.5Very high200 Ų20044.7 Ų44.799%0.98526%0.26SS*.  0143.20-67.9178.4-166.500107.5R66M1-R66 PolarHBondContact SD-NH2 3.24Å
2S82.6Confident93.9Very high53 Ų5341 Ų4137%0.37124%0.239SC..PPolyproline II helixtrans-62.3153.4173.949.20000110.4N33 Q34 P35S2-N33 PolarHBondContact OG-O 3.37Å; S2-Q34 PolarHBondContact OG-OE1 3.07Å; S2-Q34 VanDerWaalsContact OG-OE1 3.12Å; S2-P35 VanDerWaalsContact OG-CD 3.26Å; S2-P35 WeakPolarHBondContact OG-CD 3.48Å
3S92.9Very high94.2Very high98 Ų9839.2 Ų39.269%0.68523%0.232SC*.PPolyproline II helixtrans-58.6141.1170.451.70000109.6Q34S3-Q34 PolarHBondContact O-NE2 3.13Å
4P97.1Very high94.4Very high48 Ų4838.6 Ų38.631%0.31224%0.237SC..PPolyproline II helixtrans-60.5142.1177.924.9-32.6000110.9P35 D37 R66P4-P35 CarbonylContact C-O 3.46Å; P4-P35 VanDerWaalsContact CA-O 3.25Å; P4-P35 WeakPolarHBondContact CA-O 3.32Å; P4-P35 HydrophobicContact CB-CB 4.18Å; P4-D37 WeakPolarHBondContact CB-OD2 3.47Å; P4-D37 WeakPolarHBondContact CG-OD2 3.5Å; P4-R66 HydrophobicContact CB-CG 4.31Å
5S98.3Very high94.6Very high22 Ų2243.8 Ų43.815%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-87.7132.3168.7-64.50000108.4L30 Q34 P35 V36 D37S5-L30 VanDerWaalsContact CB-CD2 3.48Å; S5-Q34 PolarHBondContact OG-NE2 3.14Å; S5-P35 PolarHBondContact N-O 2.97Å; S5-V36 VanDerWaalsContact O-CA 3.3Å; S5-V36 WeakPolarHBondContact O-CA 3.41Å; S5-D37 PolarHBondContact O-N 3.29Å
6R98.6Very high94.8Very high56 Ų5643.5 Ų43.521%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-90.2117.3-179.4-169174.9177.576.8-0.1109.7D37 V39 K79 I81 D82 V83R6-D37 CarbonylContact C-O 3.37Å; R6-D37 WeakPolarHBondContact CA-O 3.38Å; R6-D37 HydrophobicContact CB-CB 4.47Å; R6-D37 HydrophobicContact CG-CB 4.32Å; R6-V39 HydrophobicContact CG-CG2 3.86Å; R6-V39 VanDerWaalsContact NH2-CG2 3.33Å; R6-K79 VanDerWaalsContact CD-O 3.23Å; R6-K79 WeakPolarHBondContact CD-O 3.49Å; R6-K79 PolarHBondContact NE-O 3.25Å; R6-I81 HydrophobicContact CG-CG2 4.13Å; R6-D82 PolarHBondContact N-OD2 3.07Å; R6-D82 PolarHBondContact O-N 2.62Å; R6-V83 PolarHBondContact O-N 3.27Å
7V98.9Very high95Very high0 Ų040.9 Ų40.90%024%0.239CC..EExtended strand (participates in β ladder)trans-118.4119.1-171.3-171.70000110.6I24 L30 V36 D37 M38 V39 V83 F85V7-I24 HydrophobicContact CB-CG2 4.24Å; V7-I24 HydrophobicContact CG1-CD1 3.96Å; V7-I24 HydrophobicContact CG1-CG2 3.98Å; V7-I24 HydrophobicContact CG2-CG2 4.21Å; V7-L30 HydrophobicContact CG2-CD1 3.95Å; V7-L30 HydrophobicContact CG2-CD2 4.33Å; V7-V36 HydrophobicContact CG2-CG1 4.32Å; V7-D37 PolarHBondContact N-O 3.27Å; V7-M38 HydrophobicContact CB-SD 4.01Å; V7-M38 HydrophobicContact CG1-SD 4.46Å; V7-V39 PolarHBondContact O-N 2.84Å; V7-V83 WeakPolarHBondContact CA-O 3.39Å; V7-V83 HydrophobicContact CG1-CB 4.13Å; V7-V83 HydrophobicContact CG1-CG1 4.17Å; V7-V83 HydrophobicContact CG2-CB 4.32Å; V7-F85 HydrophobicContact CG1-CD2 4.07Å; V7-F85 HydrophobicContact CG1-CE2 4.02Å
8L98.9Very high95.2Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-91.8136.5176.1172.863.4000111.2T10 V39 L41 A77 F78 I81 V83 A84 F85L8-T10 HydrophobicContact CD1-CG2 4.36Å; L8-T10 HydrophobicContact CD2-CG2 4.14Å; L8-T10 HydrophobicContact CG-CG2 4.16Å; L8-V39 CarbonylContact C-O 3.58Å; L8-V39 WeakPolarHBondContact CA-O 3.44Å; L8-V39 HydrophobicContact CD1-CB 4.19Å; L8-V39 HydrophobicContact CD1-CG1 4.04Å; L8-V39 WeakPolarHBondContact CD1-O 3.42Å; L8-L41 HydrophobicContact CD1-CB 3.78Å; L8-A77 HydrophobicContact CD1-CB 3.92Å; L8-F78 HydrophobicContact CD2-CD1 3.72Å; L8-F78 HydrophobicContact CD2-CD2 3.83Å; L8-F78 HydrophobicContact CD2-CE1 3.53Å; L8-F78 HydrophobicContact CD2-CE2 3.67Å; L8-F78 HydrophobicContact CD2-CG 3.87Å; L8-F78 HydrophobicContact CD2-CZ 3.51Å; L8-I81 HydrophobicContact CB-CD1 3.9Å; L8-I81 HydrophobicContact CB-CG2 4.2Å; L8-I81 HydrophobicContact CD2-CD1 3.74Å; L8-I81 HydrophobicContact CG-CD1 4.49Å; L8-V83 PolarHBondContact N-O 2.94Å; L8-A84 HydrophobicContact CB-CB 4.31Å; L8-A84 HydrophobicContact CD2-CB 4.4Å; L8-A84 CarbonylContact O-C 3.56Å; L8-A84 WeakPolarHBondContact O-CA 3.5Å; L8-F85 PolarHBondContact O-N 3.22Å
9V98.9Very high95.3Very high0 Ų043.5 Ų43.50%025%0.247CC..EExtended strand (participates in β ladder)trans-125.8118164.7-174.40000108.6A12 I20 V21 I24 M38 V39 L40 L41 F85 V87V9-A12 HydrophobicContact CB-CB 4.25Å; V9-A12 HydrophobicContact CG1-CB 4.12Å; V9-A12 WeakPolarHBondContact O-CB 3.39Å; V9-I20 HydrophobicContact CG1-CG2 4.33Å; V9-I20 HydrophobicContact CG2-CG2 4.07Å; V9-V21 HydrophobicContact CB-CG1 4.32Å; V9-V21 HydrophobicContact CG1-CG1 4.39Å; V9-V21 HydrophobicContact CG2-CG1 4.16Å; V9-I24 HydrophobicContact CG2-CD1 3.72Å; V9-M38 HydrophobicContact CG2-CE 4.01Å; V9-V39 PolarHBondContact N-O 2.95Å; V9-L40 HydrophobicContact CB-CD2 4.47Å; V9-L41 PolarHBondContact O-N 3.41Å; V9-F85 HydrophobicContact CG1-CB 4.37Å; V9-F85 HydrophobicContact CG2-CB 4.26Å; V9-F85 HydrophobicContact CG2-CD2 4.44Å; V9-V87 HydrophobicContact CG1-CG2 4.2Å
10T98.9Very high95.5Very high2 Ų241.4 Ų41.41%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-89.2154173.2760000110.8L8 A12 L41 F78 F85 L86 V87 G88L8-T10 HydrophobicContact CD1-CG2 4.36Å; L8-T10 HydrophobicContact CD2-CG2 4.14Å; L8-T10 HydrophobicContact CG-CG2 4.16Å; T10-A12 PolarHBondContact O-N 3.07Å; T10-L41 CarbonylContact C-O 3.49Å; T10-L41 WeakPolarHBondContact CA-O 3.43Å; T10-L41 HydrophobicContact CG2-CB 4.38Å; T10-L41 HydrophobicContact CG2-CD2 3.9Å; T10-F78 HydrophobicContact CG2-CZ 4.33Å; T10-F85 PolarHBondContact N-O 2.96Å; T10-L86 HydrophobicContact CG2-CD2 3.59Å; T10-L86 WeakPolarHBondContact OG1-CA 3.27Å; T10-V87 VanDerWaalsContact O-CB 3.26Å; T10-V87 WeakPolarHBondContact O-CB 3.46Å; T10-V87 PolarHBondContact OG1-N 2.95Å; T10-G88 PolarHBondContact O-N 3.34Å; T10-G88 PolarHBondContact OG1-N 3.16Å
11G98.4Very high95.7Very high13 Ų1339.5 Ų39.513%0.13422%0.224CC..SBendtrans59.433.5-173.200000111.7A13 G14 L41 D42G11-A13 VanDerWaalsContact C-N 3.28Å; G11-A13 PolarHBondContact O-N 3.25Å; G11-G14 WeakPolarHBondContact O-CA 3.43Å; G11-G14 PolarHBondContact O-N 3.48Å; G11-L41 PolarHBondContact N-O 3.5Å; G11-D42 VanDerWaalsContact CA-OD2 3.28Å; G11-D42 WeakPolarHBondContact CA-OD2 3.46Å
12A98.5Very high97.3Very high0 Ų033.4 Ų33.40%020%0.195CC..THydrogen-bonded Turntrans-68.9-24.2-169.400000113.4V9 T10 G14 G17 Y18 L40 L41 D42 L50V9-A12 HydrophobicContact CB-CB 4.25Å; V9-A12 HydrophobicContact CG1-CB 4.12Å; V9-A12 WeakPolarHBondContact O-CB 3.39Å; T10-A12 PolarHBondContact O-N 3.07Å; A12-G14 VanDerWaalsContact C-N 3.26Å; A12-G17 CarbonylContact O-C 3.52Å; A12-Y18 PolarHBondContact O-N 2.95Å; A12-L40 HydrophobicContact CB-CB 3.71Å; A12-L40 HydrophobicContact CB-CD2 4.12Å; A12-L40 HydrophobicContact CB-CG 4.33Å; A12-L41 PolarHBondContact N-O 3.36Å; A12-D42 PolarHBondContact N-OD2 3.21Å; A12-L50 HydrophobicContact CB-CD1 3.69Å
13A97.9Very high98Very high18 Ų1832.4 Ų32.415%0.14918%0.184CC..THydrogen-bonded Turntrans-78.3-12.6171.700000112.4G11 D42 M46 A49 L50G11-A13 VanDerWaalsContact C-N 3.28Å; G11-A13 PolarHBondContact O-N 3.25Å; A13-D42 WeakPolarHBondContact CB-OD2 3.49Å; A13-D42 PolarHBondContact N-OD2 3.09Å; A13-M46 HydrophobicContact CB-CB 4.27Å; A13-M46 HydrophobicContact CB-CE 3.77Å; A13-A49 HydrophobicContact CB-CB 3.9Å; A13-L50 HydrophobicContact CB-CD1 4.29Å
14G97Very high98.3Very high30 Ų3027.7 Ų27.731%0.30915%0.152SC..SBendtrans-71.9159.917500000113.1G11 A12 I16 G17 Y18G11-G14 WeakPolarHBondContact O-CA 3.43Å; G11-G14 PolarHBondContact O-N 3.48Å; A12-G14 VanDerWaalsContact C-N 3.26Å; G14-I16 VanDerWaalsContact C-N 3.3Å; G14-I16 PolarHBondContact O-N 3.25Å; G14-G17 WeakPolarHBondContact O-CA 3.38Å; G14-G17 PolarHBondContact O-N 3.13Å; G14-Y18 WeakPolarHBondContact O-CB 3.46Å; G14-Y18 PolarHBondContact O-N 3.48Å
15Q97Very high98.4Very high117 Ų11725.4 Ų25.455%0.54714%0.137SC..Hα-helixtrans-55.4-38.8-175.2-69.2-70.9-54.200114.5C19 A244Q15-C19 PolarHBondContact O-N 2.94Å; Q15-C19 PolarHBondContact O-SG 3.38Å; Q15-A244 HydrophobicContact CB-CB 3.77Å
16I98.1Very high98.3Very high39 Ų3929.2 Ų29.220%0.215%0.151CC..Hα-helixtrans-71.8-45.3176.1-64171000110G14 Y18 C19 I20 V87 V129 A244 A247 A248G14-I16 VanDerWaalsContact C-N 3.3Å; G14-I16 PolarHBondContact O-N 3.25Å; I16-Y18 PolarHBondContact O-N 3.08Å; I16-C19 PolarHBondContact O-N 3.34Å; I16-C19 VanDerWaalsContact O-N 3.16Å; I16-I20 HydrophobicContact CG2-CD1 3.64Å; I16-I20 HydrophobicContact CG2-CG1 4.19Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.15Å; I16-V87 HydrophobicContact CB-CG1 3.71Å; I16-V87 HydrophobicContact CD1-CG1 4.42Å; I16-V87 HydrophobicContact CG2-CG1 3.55Å; I16-V129 HydrophobicContact CG2-CG1 4.46Å; I16-A244 HydrophobicContact CG1-CB 4.05Å; I16-A247 HydrophobicContact CD1-CB 4.07Å; I16-A247 HydrophobicContact CG1-CB 4.21Å; I16-A247 HydrophobicContact CG2-CB 4.49Å; I16-A248 HydrophobicContact CG2-CB 4.45Å
17G98.4Very high98.3Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-54.7-51.2176.800000111.8A12 G14 C19 I20 V21A12-G17 CarbonylContact O-C 3.52Å; G14-G17 WeakPolarHBondContact O-CA 3.38Å; G14-G17 PolarHBondContact O-N 3.13Å; G17-C19 VanDerWaalsContact C-N 3.28Å; G17-C19 PolarHBondContact O-N 3.03Å; G17-I20 PolarHBondContact O-N 3.02Å; G17-V21 WeakPolarHBondContact O-CG1 3.15Å; G17-V21 PolarHBondContact O-N 2.62Å
18Y98.3Very high98.3Very high94 Ų9429.2 Ų29.237%0.36916%0.156SC..Hα-helixtrans-53-41.8175.6-170.9-100.5000113.1A12 G14 I16 V21 V53 E56A12-Y18 PolarHBondContact O-N 2.95Å; G14-Y18 WeakPolarHBondContact O-CB 3.46Å; G14-Y18 PolarHBondContact O-N 3.48Å; I16-Y18 PolarHBondContact O-N 3.08Å; Y18-V21 WeakPolarHBondContact O-CG2 3.35Å; Y18-V53 HydrophobicContact CD2-CG1 4.3Å; Y18-V53 HydrophobicContact CD2-CG2 3.81Å; Y18-V53 HydrophobicContact CE2-CG2 4.29Å; Y18-E56 WeakPolarHBondContact CE2-OE1 3.46Å; Y18-E56 VanDerWaalsContact CZ-OE1 3.27Å; Y18-E56 PolarHBondContact OH-OE1 3.12Å; Y18-E56 PolarHBondContact OH-OE2 2.86Å
19C98.3Very high98.2Very high37 Ų3729.2 Ų29.225%0.2516%0.156CC..Hα-helixtrans-75.4-25.9176.6-66.50000113.7Q15 I16 G17 Q23 A248Q15-C19 PolarHBondContact O-N 2.94Å; Q15-C19 PolarHBondContact O-SG 3.38Å; I16-C19 PolarHBondContact O-N 3.34Å; I16-C19 VanDerWaalsContact O-N 3.16Å; G17-C19 VanDerWaalsContact C-N 3.28Å; G17-C19 PolarHBondContact O-N 3.03Å; C19-Q23 PolarHBondContact O-NE2 3.03Å; C19-A248 HydrophobicContact CB-CB 3.29Å
20I98.7Very high98.2Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-78.1-45-179.2-77.3176.6000111V9 I16 G17 L22 Q23 I24 F85 V87 A248 A251V9-I20 HydrophobicContact CG1-CG2 4.33Å; V9-I20 HydrophobicContact CG2-CG2 4.07Å; I16-I20 HydrophobicContact CG2-CD1 3.64Å; I16-I20 HydrophobicContact CG2-CG1 4.19Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.15Å; G17-I20 PolarHBondContact O-N 3.02Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.06Å; I20-Q23 WeakPolarHBondContact O-CB 3.39Å; I20-Q23 PolarHBondContact O-N 3.22Å; I20-I24 HydrophobicContact CG2-CD1 3.33Å; I20-I24 HydrophobicContact CG2-CG1 4Å; I20-I24 PolarHBondContact O-N 2.63Å; I20-F85 HydrophobicContact CD1-CD1 4.23Å; I20-F85 HydrophobicContact CG2-CD1 4.23Å; I20-F85 HydrophobicContact CG2-CG 4.36Å; I20-V87 HydrophobicContact CD1-CG2 3.79Å; I20-A248 HydrophobicContact CB-CB 4.46Å; I20-A248 HydrophobicContact CD1-CB 4.47Å; I20-A248 HydrophobicContact CG1-CB 3.49Å; I20-A248 VanDerWaalsContact CG1-CB 3.49Å; I20-A251 HydrophobicContact CD1-CB 3.82Å; I20-A251 HydrophobicContact CG1-CB 4.44Å
21V98.7Very high98.1Very high3 Ų331.3 Ų31.32%0.01817%0.171CC..Hα-helixtrans-59.6-41.2-168.3-67.90000112.8V9 G17 Y18 I24 A25 M38 L40 V53 L57V9-V21 HydrophobicContact CB-CG1 4.32Å; V9-V21 HydrophobicContact CG1-CG1 4.39Å; V9-V21 HydrophobicContact CG2-CG1 4.16Å; G17-V21 WeakPolarHBondContact O-CG1 3.15Å; G17-V21 PolarHBondContact O-N 2.62Å; Y18-V21 WeakPolarHBondContact O-CG2 3.35Å; V21-I24 PolarHBondContact O-N 3.47Å; V21-A25 VanDerWaalsContact O-CB 3.26Å; V21-A25 WeakPolarHBondContact O-CB 3.49Å; V21-A25 PolarHBondContact O-N 3.15Å; V21-M38 HydrophobicContact CB-CE 4.08Å; V21-M38 HydrophobicContact CG1-CE 4.02Å; V21-L40 HydrophobicContact CB-CD2 4.45Å; V21-L40 HydrophobicContact CG1-CD2 3.49Å; V21-L40 VanDerWaalsContact CG1-CD2 3.49Å; V21-V53 HydrophobicContact CG2-CG1 3.79Å; V21-L57 HydrophobicContact CB-CD1 4.07Å; V21-L57 HydrophobicContact CB-CD2 4.31Å; V21-L57 HydrophobicContact CG2-CD1 4.12Å; V21-L57 HydrophobicContact CG2-CD2 4.15Å; V21-L57 HydrophobicContact CG2-CG 4.36Å
22L98.4Very high98Very high71 Ų7135.4 Ų35.437%0.37220%0.195SC..Hα-helixtrans-65.1-40.4176.6177.361.3000112I20 A25 K26 C60 L62I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.06Å; L22-A25 PolarHBondContact O-N 3.48Å; L22-K26 WeakPolarHBondContact O-CB 3.27Å; L22-K26 VanDerWaalsContact O-CG 3.26Å; L22-K26 WeakPolarHBondContact O-CG 3.26Å; L22-K26 PolarHBondContact O-N 2.91Å; L22-C60 HydrophobicContact CD1-CB 4.44Å; L22-L62 HydrophobicContact CD1-CD1 3.87Å; L22-L62 HydrophobicContact CD1-CD2 4.2Å
23Q98.5Very high97.9Very high32 Ų3242 Ų4215%0.1523%0.23CC..Hα-helixtrans-63.8-43.1179.2-73178.177.500111.3C19 I20 D28 C252C19-Q23 PolarHBondContact O-NE2 3.03Å; I20-Q23 WeakPolarHBondContact O-CB 3.39Å; I20-Q23 PolarHBondContact O-N 3.22Å; Q23-D28 HydrophobicContact CB-CB 4.27Å; Q23-D28 VanDerWaalsContact O-CB 3.26Å; Q23-D28 WeakPolarHBondContact O-CB 3.44Å; Q23-D28 PolarHBondContact O-N 2.91Å; Q23-C252 HydrophobicContact CB-CB 4.36Å; Q23-C252 VanDerWaalsContact CB-SG 3.55Å
24I98.7Very high97.9Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-63.2-53175-61.6167.3000109.9V7 V9 I20 V21 K26 G27 V29 L30 M38 F85V7-I24 HydrophobicContact CB-CG2 4.24Å; V7-I24 HydrophobicContact CG1-CD1 3.96Å; V7-I24 HydrophobicContact CG1-CG2 3.98Å; V7-I24 HydrophobicContact CG2-CG2 4.21Å; V9-I24 HydrophobicContact CG2-CD1 3.72Å; I20-I24 HydrophobicContact CG2-CD1 3.33Å; I20-I24 HydrophobicContact CG2-CG1 4Å; I20-I24 PolarHBondContact O-N 2.63Å; V21-I24 PolarHBondContact O-N 3.47Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.33Å; I24-G27 PolarHBondContact O-N 2.66Å; I24-V29 HydrophobicContact CG1-CB 4.28Å; I24-V29 HydrophobicContact CG1-CG2 3.77Å; I24-L30 HydrophobicContact CG2-CD1 3.89Å; I24-M38 HydrophobicContact CB-CE 4.09Å; I24-M38 HydrophobicContact CB-SD 4.05Å; I24-M38 HydrophobicContact CD1-CE 4.09Å; I24-M38 HydrophobicContact CG2-CE 4.11Å; I24-M38 HydrophobicContact CG2-SD 3.46Å; I24-M38 WeakPolarHBondContact CG2-SD 3.28Å; I24-F85 HydrophobicContact CD1-CD2 3.71Å; I24-F85 HydrophobicContact CD1-CE2 3.48Å; I24-F85 VanDerWaalsContact CD1-CE2 3.48Å; I24-F85 HydrophobicContact CD1-CG 4.38Å; I24-F85 HydrophobicContact CD1-CZ 3.98Å; I24-F85 HydrophobicContact CG1-CE2 4.12Å; I24-F85 HydrophobicContact CG1-CZ 4.26Å
25A98.4Very high97.9Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-65.3-28.6-17200000113.8V21 L22 G27 L57 L62 L65V21-A25 VanDerWaalsContact O-CB 3.26Å; V21-A25 WeakPolarHBondContact O-CB 3.49Å; V21-A25 PolarHBondContact O-N 3.15Å; L22-A25 PolarHBondContact O-N 3.48Å; A25-G27 VanDerWaalsContact C-N 3.31Å; A25-L57 HydrophobicContact CB-CD2 4.13Å; A25-L62 HydrophobicContact CB-CD1 3.46Å; A25-L62 VanDerWaalsContact CB-CD1 3.46Å; A25-L65 HydrophobicContact CB-CB 4.44Å; A25-L65 HydrophobicContact CB-CD1 4.2Å; A25-L65 HydrophobicContact CB-CD2 4.45Å
26K97.5Very high98Very high102 Ų10236.3 Ų36.344%0.44319%0.193SC..THydrogen-bonded Turntrans-85.31.8174.580.7-176.8-174.2170.70114.4L22 I24 D28 L62L22-K26 WeakPolarHBondContact O-CB 3.27Å; L22-K26 VanDerWaalsContact O-CG 3.26Å; L22-K26 WeakPolarHBondContact O-CG 3.26Å; L22-K26 PolarHBondContact O-N 2.91Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.33Å; K26-D28 VanDerWaalsContact CE-OD1 3.29Å; K26-D28 WeakPolarHBondContact CE-OD1 3.32Å; K26-D28 WeakPolarHBondContact CE-OD2 3.19Å; K26-D28 IonicContact NZ-OD1 3.88Å; K26-D28 IonicContact NZ-OD2 3.86Å; K26-D28 PolarHBondContact NZ-OD2 3.15Å; K26-L62 HydrophobicContact CB-CD2 3.88Å
27G98Very high98Very high5 Ų536 Ų365%0.05219%0.192CC..THydrogen-bonded Turntrans92.110.1175.400000115.5I24 A25 V29 G31I24-G27 PolarHBondContact O-N 2.66Å; A25-G27 VanDerWaalsContact C-N 3.31Å; G27-V29 PolarHBondContact O-N 3.47Å; G27-G31 CarbonylContact O-C 3.14Å; G27-G31 VanDerWaalsContact O-CA 3.3Å; G27-G31 WeakPolarHBondContact O-CA 3.42Å; G27-G31 PolarHBondContact O-N 3.21Å; G27-G31 VanDerWaalsContact O-N 3.08Å
28D98Very high98.1Very high51 Ų5136 Ų3627%0.27319%0.192SC..THydrogen-bonded Turntrans-65.7-28.4177.8-75.9-9.1000111.4Q23 K26 R256Q23-D28 HydrophobicContact CB-CB 4.27Å; Q23-D28 VanDerWaalsContact O-CB 3.26Å; Q23-D28 WeakPolarHBondContact O-CB 3.44Å; Q23-D28 PolarHBondContact O-N 2.91Å; K26-D28 VanDerWaalsContact CE-OD1 3.29Å; K26-D28 WeakPolarHBondContact CE-OD1 3.32Å; K26-D28 WeakPolarHBondContact CE-OD2 3.19Å; K26-D28 IonicContact NZ-OD1 3.88Å; K26-D28 IonicContact NZ-OD2 3.86Å; K26-D28 PolarHBondContact NZ-OD2 3.15Å; D28-R256 PolarHBondContact O-NE 3.37Å; D28-R256 PolarHBondContact O-NH2 2.85Å
29V98.4Very high98.1Very high0 Ų031.5 Ų31.50%017%0.174CC..THydrogen-bonded Turntrans-91.7-51.4-176.2176.10000112.5I24 G27 F85 C252 M255 L259I24-V29 HydrophobicContact CG1-CB 4.28Å; I24-V29 HydrophobicContact CG1-CG2 3.77Å; G27-V29 PolarHBondContact O-N 3.47Å; V29-F85 HydrophobicContact CG1-CZ 4.11Å; V29-F85 HydrophobicContact CG2-CZ 4.3Å; V29-C252 HydrophobicContact CG2-CB 3.54Å; V29-M255 HydrophobicContact CG1-CB 3.78Å; V29-M255 HydrophobicContact CG1-CG 3.53Å; V29-L259 HydrophobicContact CG1-CD1 4.22Å
30L97.6Very high98.1Very high29 Ų2929.7 Ų29.715%0.15216%0.162CC..THydrogen-bonded Turntrans-96.3-1.8-172.1-64.597000113.8S5 V7 I24 Q34 V36 L259S5-L30 VanDerWaalsContact CB-CD2 3.48Å; V7-L30 HydrophobicContact CG2-CD1 3.95Å; V7-L30 HydrophobicContact CG2-CD2 4.33Å; I24-L30 HydrophobicContact CG2-CD1 3.89Å; L30-Q34 HydrophobicContact CB-CB 3.89Å; L30-Q34 HydrophobicContact CB-CG 3.74Å; L30-Q34 HydrophobicContact CD2-CG 3.99Å; L30-Q34 WeakPolarHBondContact O-CB 3.26Å; L30-V36 HydrophobicContact CD1-CG1 3.9Å; L30-V36 HydrophobicContact CD2-CG1 4.47Å; L30-L259 HydrophobicContact CD2-CD1 4.42Å; L30-L259 HydrophobicContact CG-CD1 4.04Å
31G96.6Very high98.1Very high16 Ų1630.3 Ų30.317%0.16517%0.165CC..  trans95.3165.7-179.700000113.4G27 N33 Q34G27-G31 CarbonylContact O-C 3.14Å; G27-G31 VanDerWaalsContact O-CA 3.3Å; G27-G31 WeakPolarHBondContact O-CA 3.42Å; G27-G31 PolarHBondContact O-N 3.21Å; G27-G31 VanDerWaalsContact O-N 3.08Å; G31-N33 PolarHBondContact O-N 3.44Å; G31-N33 VanDerWaalsContact O-N 3.13Å; G31-Q34 PolarHBondContact O-N 3.16Å
32P96.1Very high98.1Very high100 Ų10031.1 Ų31.165%0.64917%0.17SC*.THydrogen-bonded Turntrans-73.9-7.1-167.230.8-37.5000114.5L64P32-L64 WeakPolarHBondContact O-CD2 3.23Å
33N96.5Very high98.1Very high137 Ų13732.6 Ų32.673%0.73318%0.177SC*.THydrogen-bonded Turntrans-119.24.9-174.2-64.4-39000113.2S2 G31 P35S2-N33 PolarHBondContact OG-O 3.37Å; G31-N33 PolarHBondContact O-N 3.44Å; G31-N33 VanDerWaalsContact O-N 3.13Å; N33-P35 WeakPolarHBondContact O-CD 3.47Å
34Q97.9Very high98Very high40 Ų4035.2 Ų35.219%0.18720%0.197CC..  trans-103.2108.7-176.7-178.152.456.100109.9S2 S3 S5 L30 G31S2-Q34 PolarHBondContact OG-OE1 3.07Å; S2-Q34 VanDerWaalsContact OG-OE1 3.12Å; S3-Q34 PolarHBondContact O-NE2 3.13Å; S5-Q34 PolarHBondContact OG-NE2 3.14Å; L30-Q34 HydrophobicContact CB-CB 3.89Å; L30-Q34 HydrophobicContact CB-CG 3.74Å; L30-Q34 HydrophobicContact CD2-CG 3.99Å; L30-Q34 WeakPolarHBondContact O-CB 3.26Å; G31-Q34 PolarHBondContact O-N 3.16Å
35P98.4Very high98Very high5 Ų540.6 Ų40.63%0.03223%0.231CC..  trans-64.3152.6172.4-17.732000111S2 P4 S5 N33 L64 R66S2-P35 VanDerWaalsContact OG-CD 3.26Å; S2-P35 WeakPolarHBondContact OG-CD 3.48Å; P4-P35 CarbonylContact C-O 3.46Å; P4-P35 VanDerWaalsContact CA-O 3.25Å; P4-P35 WeakPolarHBondContact CA-O 3.32Å; P4-P35 HydrophobicContact CB-CB 4.18Å; S5-P35 PolarHBondContact N-O 2.97Å; N33-P35 WeakPolarHBondContact O-CD 3.47Å; P35-L64 CarbonylContact C-O 3.6Å; P35-L64 VanDerWaalsContact CA-O 3.27Å; P35-L64 WeakPolarHBondContact CA-O 3.3Å; P35-R66 HydrophobicContact CB-CG 3.61Å
36V98.6Very high98Very high2 Ų243.8 Ų43.81%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-132.2141.3-178.3-62.10000112.2S5 V7 L30 M38 L64 L65 R66S5-V36 VanDerWaalsContact O-CA 3.3Å; S5-V36 WeakPolarHBondContact O-CA 3.41Å; V7-V36 HydrophobicContact CG2-CG1 4.32Å; L30-V36 HydrophobicContact CD1-CG1 3.9Å; L30-V36 HydrophobicContact CD2-CG1 4.47Å; V36-M38 HydrophobicContact CG2-CG 4.19Å; V36-M38 HydrophobicContact CG2-SD 4.33Å; V36-L64 PolarHBondContact N-O 3.18Å; V36-L65 HydrophobicContact CG2-CD1 4.11Å; V36-R66 PolarHBondContact O-N 3.33Å
37D98.7Very high98Very high31 Ų3142.2 Ų42.217%0.16624%0.24CC..EExtended strand (participates in β ladder)trans-105.2111.3163.9-70.4-38.4000107.9P4 S5 R6 V7 R66 S67P4-D37 WeakPolarHBondContact CB-OD2 3.47Å; P4-D37 WeakPolarHBondContact CG-OD2 3.5Å; S5-D37 PolarHBondContact O-N 3.29Å; R6-D37 CarbonylContact C-O 3.37Å; R6-D37 WeakPolarHBondContact CA-O 3.38Å; R6-D37 HydrophobicContact CB-CB 4.47Å; R6-D37 HydrophobicContact CG-CB 4.32Å; V7-D37 PolarHBondContact N-O 3.27Å; D37-R66 WeakPolarHBondContact OD1-CB 3.44Å; D37-S67 WeakPolarHBondContact CA-O 3.47Å; D37-S67 WeakPolarHBondContact CB-OG 3.34Å; D37-S67 WeakPolarHBondContact OD1-CB 3.46Å; D37-S67 PolarHBondContact OD1-N 3.31Å; D37-S67 PolarHBondContact OD1-OG 2.87Å
38M98.8Very high98Very high0 Ų048.5 Ų48.50%027%0.273CS..EExtended strand (participates in β ladder)trans-86.7133.3-177.2-68-65.8-67.100110.5V7 V9 V21 I24 V36 L40 L65 S67 V68 V69V7-M38 HydrophobicContact CB-SD 4.01Å; V7-M38 HydrophobicContact CG1-SD 4.46Å; V9-M38 HydrophobicContact CG2-CE 4.01Å; V21-M38 HydrophobicContact CB-CE 4.08Å; V21-M38 HydrophobicContact CG1-CE 4.02Å; I24-M38 HydrophobicContact CB-CE 4.09Å; I24-M38 HydrophobicContact CB-SD 4.05Å; I24-M38 HydrophobicContact CD1-CE 4.09Å; I24-M38 HydrophobicContact CG2-CE 4.11Å; I24-M38 HydrophobicContact CG2-SD 3.46Å; I24-M38 WeakPolarHBondContact CG2-SD 3.28Å; V36-M38 HydrophobicContact CG2-CG 4.19Å; V36-M38 HydrophobicContact CG2-SD 4.33Å; M38-L40 HydrophobicContact CB-CD2 4.43Å; M38-L40 HydrophobicContact CE-CD2 4.09Å; M38-L65 HydrophobicContact CB-CD1 3.95Å; M38-L65 HydrophobicContact CG-CD1 3.36Å; M38-S67 PolarHBondContact N-O 2.99Å; M38-V68 HydrophobicContact CB-CB 4.05Å; M38-V68 HydrophobicContact CB-CG2 3.87Å; M38-V68 CarbonylContact O-C 3.59Å; M38-V68 VanDerWaalsContact O-CA 3.3Å; M38-V68 WeakPolarHBondContact O-CA 3.43Å; M38-V69 PolarHBondContact O-N 2.82Å
39V98.8Very high98Very high0 Ų048.3 Ų48.30%028%0.278CS..EExtended strand (participates in β ladder)trans-120113173.2-171.50000107.4R6 V7 L8 V9 V69 V71 A77R6-V39 HydrophobicContact CG-CG2 3.86Å; R6-V39 VanDerWaalsContact NH2-CG2 3.33Å; V7-V39 PolarHBondContact O-N 2.84Å; L8-V39 CarbonylContact C-O 3.58Å; L8-V39 WeakPolarHBondContact CA-O 3.44Å; L8-V39 HydrophobicContact CD1-CB 4.19Å; L8-V39 HydrophobicContact CD1-CG1 4.04Å; L8-V39 WeakPolarHBondContact CD1-O 3.42Å; V9-V39 PolarHBondContact N-O 2.95Å; V39-V69 HydrophobicContact CB-CG2 4.35Å; V39-V69 HydrophobicContact CG1-CG2 4.05Å; V39-V69 HydrophobicContact CG2-CG2 4.15Å; V39-V71 HydrophobicContact CG1-CG2 3.87Å; V39-A77 HydrophobicContact CG1-CB 4.29Å
40L98.9Very high98Very high0 Ų048.3 Ų48.30%028%0.278CS..EExtended strand (participates in β ladder)trans-100118.9179.4-49.2-169.6000107.2V9 A12 V21 M38 L50 V53 V54 L57 V68 V69 V71V9-L40 HydrophobicContact CB-CD2 4.47Å; A12-L40 HydrophobicContact CB-CB 3.71Å; A12-L40 HydrophobicContact CB-CD2 4.12Å; A12-L40 HydrophobicContact CB-CG 4.33Å; V21-L40 HydrophobicContact CB-CD2 4.45Å; V21-L40 HydrophobicContact CG1-CD2 3.49Å; V21-L40 VanDerWaalsContact CG1-CD2 3.49Å; M38-L40 HydrophobicContact CB-CD2 4.43Å; M38-L40 HydrophobicContact CE-CD2 4.09Å; L40-L50 HydrophobicContact CB-CD1 3.53Å; L40-L50 HydrophobicContact CB-CD2 4.37Å; L40-L50 HydrophobicContact CB-CG 4.03Å; L40-L50 HydrophobicContact CD1-CD1 4.29Å; L40-L50 WeakPolarHBondContact O-CD2 3.26Å; L40-V53 HydrophobicContact CD1-CB 4.27Å; L40-V53 HydrophobicContact CD1-CG1 3.87Å; L40-V54 HydrophobicContact CD1-CG2 4.02Å; L40-L57 HydrophobicContact CD1-CD1 4.05Å; L40-V68 HydrophobicContact CD1-CG2 3.95Å; L40-V68 HydrophobicContact CG-CG2 3.94Å; L40-V69 PolarHBondContact N-O 3.28Å; L40-V71 WeakPolarHBondContact O-CG2 3.5Å; L40-V71 PolarHBondContact O-N 2.61Å
41L98.8Very high98.1Very high12 Ų1249.6 Ų49.66%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-109.9131.4175.8173.964.7000109.5L8 V9 T10 G11 A12 V71 E74 A77 F78L8-L41 HydrophobicContact CD1-CB 3.78Å; V9-L41 PolarHBondContact O-N 3.41Å; T10-L41 CarbonylContact C-O 3.49Å; T10-L41 WeakPolarHBondContact CA-O 3.43Å; T10-L41 HydrophobicContact CG2-CB 4.38Å; T10-L41 HydrophobicContact CG2-CD2 3.9Å; G11-L41 PolarHBondContact N-O 3.5Å; A12-L41 PolarHBondContact N-O 3.36Å; L41-V71 WeakPolarHBondContact CA-O 3.48Å; L41-V71 HydrophobicContact CB-CG2 4.45Å; L41-V71 HydrophobicContact CD1-CG2 4.33Å; L41-E74 HydrophobicContact CD2-CG 4.29Å; L41-A77 HydrophobicContact CB-CB 3.9Å; L41-A77 HydrophobicContact CD1-CB 3.99Å; L41-A77 HydrophobicContact CD2-CB 3.78Å; L41-A77 HydrophobicContact CG-CB 4.09Å; L41-F78 HydrophobicContact CD2-CE2 3.84Å
42D98.5Very high98.2Very high21 Ų2150.1 Ų50.111%0.11229%0.291CS..  trans-144.9174.1166-139.4-52.8000110.8G11 A12 A13 M46 L50 V71 T72G11-D42 VanDerWaalsContact CA-OD2 3.28Å; G11-D42 WeakPolarHBondContact CA-OD2 3.46Å; A12-D42 PolarHBondContact N-OD2 3.21Å; A13-D42 WeakPolarHBondContact CB-OD2 3.49Å; A13-D42 PolarHBondContact N-OD2 3.09Å; D42-M46 HydrophobicContact CB-CB 3.85Å; D42-L50 HydrophobicContact CB-CD1 4.18Å; D42-L50 HydrophobicContact CB-CD2 4.17Å; D42-V71 PolarHBondContact N-O 2.91Å; D42-T72 VanDerWaalsContact O-CA 3.31Å; D42-T72 WeakPolarHBondContact O-CA 3.26Å
43I97.6Very high98.3Very high102 Ų10245.8 Ų45.852%0.52326%0.263SS..  trans-68.7154176.557.4171.2000110.7P45 M46I43-P45 VanDerWaalsContact C-CD 3.42Å; I43-P45 VanDerWaalsContact C-N 3.31Å; I43-P45 HydrophobicContact CD1-CG 4.35Å; I43-P45 VanDerWaalsContact O-N 3.14Å; I43-M46 HydrophobicContact CD1-CG 4.16Å; I43-M46 HydrophobicContact CG1-CB 4.18Å; I43-M46 HydrophobicContact CG1-CG 3.62Å; I43-M46 WeakPolarHBondContact O-CB 3.48Å; I43-M46 PolarHBondContact O-N 3.27Å
44P98Very high98.4Very high87 Ų8740.3 Ų40.357%0.56523%0.234SC*.G310 helixtrans-50.1-40.5-178.6-25.832000115.4M46 K47P44-M46 PolarHBondContact O-N 2.95Å; P44-M46 VanDerWaalsContact O-N 3.13Å; P44-K47 WeakPolarHBondContact O-CB 3.47Å; P44-K47 PolarHBondContact O-N 3.44Å; P44-K47 VanDerWaalsContact O-N 3.16Å
45P98Very high98.4Very high113 Ų11344.1 Ų44.173%0.73425%0.253SS*.G310 helixtrans-62.4-17.3175.9-25.636.3000115.5I43I43-P45 VanDerWaalsContact C-CD 3.42Å; I43-P45 VanDerWaalsContact C-N 3.31Å; I43-P45 HydrophobicContact CD1-CG 4.35Å; I43-P45 VanDerWaalsContact O-N 3.14Å
46M97.7Very high98.5Very high66 Ų6648.3 Ų48.333%0.32527%0.273SS..G310 helixtrans-96.56-179.9-64.2-57.4-62.400112.8A13 D42 I43 P44 D48 A49 L50A13-M46 HydrophobicContact CB-CB 4.27Å; A13-M46 HydrophobicContact CB-CE 3.77Å; D42-M46 HydrophobicContact CB-CB 3.85Å; I43-M46 HydrophobicContact CD1-CG 4.16Å; I43-M46 HydrophobicContact CG1-CB 4.18Å; I43-M46 HydrophobicContact CG1-CG 3.62Å; I43-M46 WeakPolarHBondContact O-CB 3.48Å; I43-M46 PolarHBondContact O-N 3.27Å; P44-M46 PolarHBondContact O-N 2.95Å; P44-M46 VanDerWaalsContact O-N 3.13Å; M46-D48 PolarHBondContact O-N 2.85Å; M46-A49 HydrophobicContact CE-CB 3.89Å; M46-A49 PolarHBondContact O-N 2.97Å; M46-L50 WeakPolarHBondContact O-CB 3.31Å; M46-L50 PolarHBondContact O-N 2.97Å
47K98.2Very high98.5Very high69 Ų6948.5 Ų48.530%0.327%0.274SS..Hα-helixtrans-56.6-46.3-175.1-178.356.3168.773.50113.1P44 A49 L50 D51 T72P44-K47 WeakPolarHBondContact O-CB 3.47Å; P44-K47 PolarHBondContact O-N 3.44Å; P44-K47 VanDerWaalsContact O-N 3.16Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A49 PolarHBondContact O-N 3.38Å; K47-L50 VanDerWaalsContact O-CB 3.28Å; K47-L50 WeakPolarHBondContact O-CB 3.39Å; K47-L50 PolarHBondContact O-N 3.26Å; K47-L50 VanDerWaalsContact O-N 3.15Å; K47-D51 IonicContact NZ-OD1 2.68Å; K47-D51 PolarHBondContact NZ-OD1 3.13Å; K47-D51 IonicContact NZ-OD2 2.63Å; K47-D51 PolarHBondContact NZ-OD2 2.83Å; K47-D51 PolarHBondContact O-N 3.27Å; K47-T72 HydrophobicContact CB-CG2 4.09Å; K47-T72 HydrophobicContact CD-CG2 3.9Å; K47-T72 HydrophobicContact CG-CG2 4.42Å
48D98.4Very high98.4Very high137 Ų13751.5 Ų51.573%0.73329%0.29SS*.Hα-helixtrans-64.6-40.5-179.2-64.1-11.4000111.6M46 L50 D51 G52M46-D48 PolarHBondContact O-N 2.85Å; D48-L50 VanDerWaalsContact C-N 3.31Å; D48-L50 PolarHBondContact O-N 2.9Å; D48-D51 PolarHBondContact O-N 2.77Å; D48-G52 PolarHBondContact O-N 2.85Å
49A98.5Very high98.4Very high48 Ų4857.9 Ų57.940%0.39732%0.323SS..Hα-helixtrans-64-39.617500000111.3A13 M46 K47 G52 V53A13-A49 HydrophobicContact CB-CB 3.9Å; M46-A49 HydrophobicContact CE-CB 3.89Å; M46-A49 PolarHBondContact O-N 2.97Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A49 PolarHBondContact O-N 3.38Å; A49-G52 PolarHBondContact O-N 3.48Å; A49-V53 WeakPolarHBondContact O-CG2 3.36Å; A49-V53 PolarHBondContact O-N 3.13Å
50L97.8Very high98.4Very high0 Ų060.8 Ų60.80%034%0.343CS..Hα-helixtrans-62.8-41.6176.4-161.164.7000111.8A12 A13 L40 D42 M46 K47 D48 G52 V53 V54 A70 V71A12-L50 HydrophobicContact CB-CD1 3.69Å; A13-L50 HydrophobicContact CB-CD1 4.29Å; L40-L50 HydrophobicContact CB-CD1 3.53Å; L40-L50 HydrophobicContact CB-CD2 4.37Å; L40-L50 HydrophobicContact CB-CG 4.03Å; L40-L50 HydrophobicContact CD1-CD1 4.29Å; L40-L50 WeakPolarHBondContact O-CD2 3.26Å; D42-L50 HydrophobicContact CB-CD1 4.18Å; D42-L50 HydrophobicContact CB-CD2 4.17Å; M46-L50 WeakPolarHBondContact O-CB 3.31Å; M46-L50 PolarHBondContact O-N 2.97Å; K47-L50 VanDerWaalsContact O-CB 3.28Å; K47-L50 WeakPolarHBondContact O-CB 3.39Å; K47-L50 PolarHBondContact O-N 3.26Å; K47-L50 VanDerWaalsContact O-N 3.15Å; D48-L50 VanDerWaalsContact C-N 3.31Å; D48-L50 PolarHBondContact O-N 2.9Å; L50-G52 VanDerWaalsContact C-N 3.3Å; L50-G52 PolarHBondContact O-N 3.47Å; L50-V53 WeakPolarHBondContact O-CB 2.7Å; L50-V53 PolarHBondContact O-N 3.17Å; L50-V53 VanDerWaalsContact O-N 3.15Å; L50-V54 WeakPolarHBondContact O-CG2 3.26Å; L50-V54 PolarHBondContact O-N 3.12Å; L50-A70 HydrophobicContact CB-CB 4.2Å; L50-A70 HydrophobicContact CD2-CB 3.63Å; L50-A70 HydrophobicContact CG-CB 3.61Å; L50-V71 WeakPolarHBondContact CD2-O 3.48Å
51D98.6Very high98.4Very high55 Ų5564.8 Ų64.829%0.29438%0.376SS..Hα-helixtrans-63.2-38174.3-69.8-24.5000111.5K47 D48 V53 V54 M55 A70K47-D51 IonicContact NZ-OD1 2.68Å; K47-D51 PolarHBondContact NZ-OD1 3.13Å; K47-D51 IonicContact NZ-OD2 2.63Å; K47-D51 PolarHBondContact NZ-OD2 2.83Å; K47-D51 PolarHBondContact O-N 3.27Å; D48-D51 PolarHBondContact O-N 2.77Å; D51-V53 PolarHBondContact O-N 2.84Å; D51-V54 WeakPolarHBondContact O-CB 3.29Å; D51-V54 PolarHBondContact O-N 2.99Å; D51-V54 VanDerWaalsContact O-N 3.15Å; D51-M55 WeakPolarHBondContact O-CG 3.25Å; D51-M55 PolarHBondContact O-N 3.3Å; D51-A70 WeakPolarHBondContact OD1-CB 3.45Å
52G98.7Very high98.3Very high28 Ų2865.6 Ų65.629%0.28938%0.38SS..Hα-helixtrans-57.8-44.517000000112.8D48 A49 L50 V54 M55 E56D48-G52 PolarHBondContact O-N 2.85Å; A49-G52 PolarHBondContact O-N 3.48Å; L50-G52 VanDerWaalsContact C-N 3.3Å; L50-G52 PolarHBondContact O-N 3.47Å; G52-V54 VanDerWaalsContact C-N 3.28Å; G52-V54 PolarHBondContact O-N 2.93Å; G52-M55 WeakPolarHBondContact O-CB 3.3Å; G52-M55 PolarHBondContact O-N 3Å; G52-E56 PolarHBondContact O-N 2.84Å; G52-E56 VanDerWaalsContact O-N 3.07Å
53V98.7Very high98.3Very high9 Ų969.6 Ų69.66%0.05541%0.408CS..Hα-helixtrans-62.4-36.9175.4-176.90000111.6Y18 V21 L40 A49 L50 D51 E56 L57Y18-V53 HydrophobicContact CD2-CG1 4.3Å; Y18-V53 HydrophobicContact CD2-CG2 3.81Å; Y18-V53 HydrophobicContact CE2-CG2 4.29Å; V21-V53 HydrophobicContact CG2-CG1 3.79Å; L40-V53 HydrophobicContact CD1-CB 4.27Å; L40-V53 HydrophobicContact CD1-CG1 3.87Å; A49-V53 WeakPolarHBondContact O-CG2 3.36Å; A49-V53 PolarHBondContact O-N 3.13Å; L50-V53 WeakPolarHBondContact O-CB 2.7Å; L50-V53 PolarHBondContact O-N 3.17Å; L50-V53 VanDerWaalsContact O-N 3.15Å; D51-V53 PolarHBondContact O-N 2.84Å; V53-E56 PolarHBondContact O-N 2.87Å; V53-L57 HydrophobicContact CG1-CD1 4.24Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 2.93Å
54V98.8Very high98.3Very high21 Ų2165.9 Ų65.913%0.12739%0.389CS..Hα-helixtrans-63.5-44.5174.9169.40000111.5L40 L50 D51 G52 E56 L57 N58 V68 A70L40-V54 HydrophobicContact CD1-CG2 4.02Å; L50-V54 WeakPolarHBondContact O-CG2 3.26Å; L50-V54 PolarHBondContact O-N 3.12Å; D51-V54 WeakPolarHBondContact O-CB 3.29Å; D51-V54 PolarHBondContact O-N 2.99Å; D51-V54 VanDerWaalsContact O-N 3.15Å; G52-V54 VanDerWaalsContact C-N 3.28Å; G52-V54 PolarHBondContact O-N 2.93Å; V54-E56 PolarHBondContact O-N 3.06Å; V54-L57 PolarHBondContact O-N 3.24Å; V54-N58 PolarHBondContact O-N 2.99Å; V54-N58 VanDerWaalsContact O-N 3.08Å; V54-N58 PolarHBondContact O-ND2 2.96Å; V54-N58 VanDerWaalsContact O-ND2 3.16Å; V54-V68 HydrophobicContact CG1-CG1 3.78Å; V54-V68 HydrophobicContact CG2-CG2 3.86Å; V54-A70 HydrophobicContact CG2-CB 3.8Å
55M98.8Very high98.4Very high120 Ų12062.9 Ų62.959%0.59137%0.368SS*.Hα-helixtrans-57.3-50.3176.2-68172.463.100110.8D51 G52 L57 N58 D59D51-M55 WeakPolarHBondContact O-CG 3.25Å; D51-M55 PolarHBondContact O-N 3.3Å; G52-M55 WeakPolarHBondContact O-CB 3.3Å; G52-M55 PolarHBondContact O-N 3Å; M55-L57 VanDerWaalsContact C-N 3.34Å; M55-L57 PolarHBondContact O-N 2.94Å; M55-N58 WeakPolarHBondContact O-CB 3.36Å; M55-N58 PolarHBondContact O-N 2.94Å; M55-N58 VanDerWaalsContact O-N 3.12Å; M55-D59 PolarHBondContact O-N 3.25Å
56E98.8Very high98.3Very high94 Ų9463.7 Ų63.744%0.43936%0.356SS..Hα-helixtrans-63.4-37.2-179.7-67.8-161.8-94.400113.1Y18 G52 V53 V54 N58 D59 C60Y18-E56 WeakPolarHBondContact CE2-OE1 3.46Å; Y18-E56 VanDerWaalsContact CZ-OE1 3.27Å; Y18-E56 PolarHBondContact OH-OE1 3.12Å; Y18-E56 PolarHBondContact OH-OE2 2.86Å; G52-E56 PolarHBondContact O-N 2.84Å; G52-E56 VanDerWaalsContact O-N 3.07Å; V53-E56 PolarHBondContact O-N 2.87Å; V54-E56 PolarHBondContact O-N 3.06Å; E56-N58 VanDerWaalsContact C-N 3.33Å; E56-N58 PolarHBondContact O-N 3.03Å; E56-D59 PolarHBondContact O-N 3.16Å; E56-C60 PolarHBondContact O-N 3.34Å; E56-C60 PolarHBondContact O-SG 3.01Å
57L98.6Very high98.4Very high6 Ų662.6 Ų62.63%0.03136%0.355CS..Hα-helixtrans-64.2-37.4175-78.3170.3000112.6V21 A25 L40 V53 V54 M55 L62 L65 V68V21-L57 HydrophobicContact CB-CD1 4.07Å; V21-L57 HydrophobicContact CB-CD2 4.31Å; V21-L57 HydrophobicContact CG2-CD1 4.12Å; V21-L57 HydrophobicContact CG2-CD2 4.15Å; V21-L57 HydrophobicContact CG2-CG 4.36Å; A25-L57 HydrophobicContact CB-CD2 4.13Å; L40-L57 HydrophobicContact CD1-CD1 4.05Å; V53-L57 HydrophobicContact CG1-CD1 4.24Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 2.93Å; V54-L57 PolarHBondContact O-N 3.24Å; M55-L57 VanDerWaalsContact C-N 3.34Å; M55-L57 PolarHBondContact O-N 2.94Å; L57-L62 HydrophobicContact CD2-CD1 4.23Å; L57-L65 HydrophobicContact CB-CD2 4Å; L57-V68 HydrophobicContact CD1-CG2 3.95Å
58N98.4Very high98.4Very high94 Ų9460.2 Ų60.250%0.50335%0.347SS..Hα-helixtrans-68.1-42.3174.9-70.8-37.5000111.1V54 M55 E56 C60 A61V54-N58 PolarHBondContact O-N 2.99Å; V54-N58 VanDerWaalsContact O-N 3.08Å; V54-N58 PolarHBondContact O-ND2 2.96Å; V54-N58 VanDerWaalsContact O-ND2 3.16Å; M55-N58 WeakPolarHBondContact O-CB 3.36Å; M55-N58 PolarHBondContact O-N 2.94Å; M55-N58 VanDerWaalsContact O-N 3.12Å; E56-N58 VanDerWaalsContact C-N 3.33Å; E56-N58 PolarHBondContact O-N 3.03Å; N58-C60 PolarHBondContact O-N 2.92Å; N58-A61 PolarHBondContact O-N 3.42Å
59D98.6Very high98.4Very high133 Ų13356.4 Ų56.471%0.71133%0.328SS*.Hα-helixtrans-65.2-23.4179-68.6-14.3000112.8M55 E56 A61M55-D59 PolarHBondContact O-N 3.25Å; E56-D59 PolarHBondContact O-N 3.16Å; D59-A61 PolarHBondContact O-N 3.47Å
60C98.5Very high98.4Very high61 Ų6155.1 Ų55.141%0.41232%0.317SS..THydrogen-bonded Turntrans-69.1-9.4173.8-71.30000114.1L22 E56 N58 L62L22-C60 HydrophobicContact CD1-CB 4.44Å; E56-C60 PolarHBondContact O-N 3.34Å; E56-C60 PolarHBondContact O-SG 3.01Å; N58-C60 PolarHBondContact O-N 2.92Å; C60-L62 VanDerWaalsContact C-N 3.31Å; C60-L62 HydrophobicContact CB-CD1 3.92Å; C60-L62 HydrophobicContact CB-CD2 4Å; C60-L62 HydrophobicContact CB-CG 3.63Å; C60-L62 PolarHBondContact O-N 2.85Å
61A98.1Very high98.4Very high85 Ų8555.7 Ų55.770%0.70232%0.321SS*.THydrogen-bonded Turntrans50.545.7177.800000113.8N58 D59 P63N58-A61 PolarHBondContact O-N 3.42Å; D59-A61 PolarHBondContact O-N 3.47Å; A61-P63 WeakPolarHBondContact O-CD 3.41Å
62L97.9Very high98.4Very high28 Ų2855.4 Ų55.415%0.14732%0.321CS..  trans-79.1115.9-171.9-60.9171.1000111.4L22 A25 K26 L57 C60 L64 L65L22-L62 HydrophobicContact CD1-CD1 3.87Å; L22-L62 HydrophobicContact CD1-CD2 4.2Å; A25-L62 HydrophobicContact CB-CD1 3.46Å; A25-L62 VanDerWaalsContact CB-CD1 3.46Å; K26-L62 HydrophobicContact CB-CD2 3.88Å; L57-L62 HydrophobicContact CD2-CD1 4.23Å; C60-L62 VanDerWaalsContact C-N 3.31Å; C60-L62 HydrophobicContact CB-CD1 3.92Å; C60-L62 HydrophobicContact CB-CD2 4Å; C60-L62 HydrophobicContact CB-CG 3.63Å; C60-L62 PolarHBondContact O-N 2.85Å; L62-L64 PolarHBondContact O-N 3Å; L62-L64 VanDerWaalsContact O-N 3.14Å; L62-L65 HydrophobicContact CB-CB 3.92Å; L62-L65 PolarHBondContact O-N 2.83Å; L62-L65 VanDerWaalsContact O-N 3.09Å
63P97.6Very high98.4Very high106 Ų10656.7 Ų56.769%0.68832%0.322SS*.THydrogen-bonded Turntrans-68.5-18.9-172.126.8-35.7000114.3A61A61-P63 WeakPolarHBondContact O-CD 3.41Å
64L98.4Very high98.4Very high23 Ų2358.7 Ų58.712%0.1233%0.33CS..THydrogen-bonded Turntrans-89-19.4177.3-62.7176.9000112.7P32 P35 V36 L62 R66P32-L64 WeakPolarHBondContact O-CD2 3.23Å; P35-L64 CarbonylContact C-O 3.6Å; P35-L64 VanDerWaalsContact CA-O 3.27Å; P35-L64 WeakPolarHBondContact CA-O 3.3Å; V36-L64 PolarHBondContact N-O 3.18Å; L62-L64 PolarHBondContact O-N 3Å; L62-L64 VanDerWaalsContact O-N 3.14Å; L64-R66 PolarHBondContact O-N 3.2Å
65L98.5Very high98.4Very high24 Ų2459.4 Ų59.413%0.12634%0.338CS..EExtended strand (participates in β ladder)trans-78.3108.2179.8-17561.6000109.7A25 V36 M38 L57 L62 S67 V68A25-L65 HydrophobicContact CB-CB 4.44Å; A25-L65 HydrophobicContact CB-CD1 4.2Å; A25-L65 HydrophobicContact CB-CD2 4.45Å; V36-L65 HydrophobicContact CG2-CD1 4.11Å; M38-L65 HydrophobicContact CB-CD1 3.95Å; M38-L65 HydrophobicContact CG-CD1 3.36Å; L57-L65 HydrophobicContact CB-CD2 4Å; L62-L65 HydrophobicContact CB-CB 3.92Å; L62-L65 PolarHBondContact O-N 2.83Å; L62-L65 VanDerWaalsContact O-N 3.09Å; L65-S67 VanDerWaalsContact CD1-O 3.32Å; L65-S67 WeakPolarHBondContact CD1-O 3.37Å; L65-V68 HydrophobicContact CD1-CB 4.33Å; L65-V68 HydrophobicContact CD2-CB 4.41Å; L65-V68 HydrophobicContact CD2-CG1 4.28Å
66R98Very high98.3Very high130 Ų13058.9 Ų58.949%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-88.6-41.6-178.5-69.3-67.1170.5-158.3-8.6112.4M1 P4 P35 V36 D37 L64M1-R66 PolarHBondContact SD-NH2 3.24Å; P4-R66 HydrophobicContact CB-CG 4.31Å; P35-R66 HydrophobicContact CB-CG 3.61Å; V36-R66 PolarHBondContact O-N 3.33Å; D37-R66 WeakPolarHBondContact OD1-CB 3.44Å; L64-R66 PolarHBondContact O-N 3.2Å
67S98.1Very high98.3Very high43 Ų4354.4 Ų54.430%0.30131%0.313SS..EExtended strand (participates in β ladder)trans-149155.9171.966.70000109.9D37 M38 L65D37-S67 WeakPolarHBondContact CA-O 3.47Å; D37-S67 WeakPolarHBondContact CB-OG 3.34Å; D37-S67 WeakPolarHBondContact OD1-CB 3.46Å; D37-S67 PolarHBondContact OD1-N 3.31Å; D37-S67 PolarHBondContact OD1-OG 2.87Å; M38-S67 PolarHBondContact N-O 2.99Å; L65-S67 VanDerWaalsContact CD1-O 3.32Å; L65-S67 WeakPolarHBondContact CD1-O 3.37Å
68V98.6Very high98.3Very high20 Ų2054.1 Ų54.112%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-137.2131.9167.555.20000108.1M38 L40 V54 L57 L65M38-V68 HydrophobicContact CB-CB 4.05Å; M38-V68 HydrophobicContact CB-CG2 3.87Å; M38-V68 CarbonylContact O-C 3.59Å; M38-V68 VanDerWaalsContact O-CA 3.3Å; M38-V68 WeakPolarHBondContact O-CA 3.43Å; L40-V68 HydrophobicContact CD1-CG2 3.95Å; L40-V68 HydrophobicContact CG-CG2 3.94Å; V54-V68 HydrophobicContact CG1-CG1 3.78Å; V54-V68 HydrophobicContact CG2-CG2 3.86Å; L57-V68 HydrophobicContact CD1-CG2 3.95Å; L65-V68 HydrophobicContact CD1-CB 4.33Å; L65-V68 HydrophobicContact CD2-CB 4.41Å; L65-V68 HydrophobicContact CD2-CG1 4.28Å
69V98.2Very high98.4Very high57 Ų5755.2 Ų55.235%0.34531%0.312SS..EExtended strand (participates in β ladder)trans-126138.1175.8-62.50000110.8M38 V39 L40 V71M38-V69 PolarHBondContact O-N 2.82Å; V39-V69 HydrophobicContact CB-CG2 4.35Å; V39-V69 HydrophobicContact CG1-CG2 4.05Å; V39-V69 HydrophobicContact CG2-CG2 4.15Å; L40-V69 PolarHBondContact N-O 3.28Å; V69-V71 HydrophobicContact CG2-CG1 4.33Å
70A98.6Very high98.3Very high21 Ų2152.9 Ų52.917%0.17430%0.3CS..EExtended strand (participates in β ladder)trans-100.8115.5173.900000109.3L50 D51 V54L50-A70 HydrophobicContact CB-CB 4.2Å; L50-A70 HydrophobicContact CD2-CB 3.63Å; L50-A70 HydrophobicContact CG-CB 3.61Å; D51-A70 WeakPolarHBondContact OD1-CB 3.45Å; V54-A70 HydrophobicContact CG2-CB 3.8Å
71V98.6Very high98.4Very high11 Ų1150 Ų507%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-128.9157.2-177-62.80000111.3V39 L40 L41 D42 L50 V69 E76 A77V39-V71 HydrophobicContact CG1-CG2 3.87Å; L40-V71 WeakPolarHBondContact O-CG2 3.5Å; L40-V71 PolarHBondContact O-N 2.61Å; L41-V71 WeakPolarHBondContact CA-O 3.48Å; L41-V71 HydrophobicContact CB-CG2 4.45Å; L41-V71 HydrophobicContact CD1-CG2 4.33Å; D42-V71 PolarHBondContact N-O 2.91Å; L50-V71 WeakPolarHBondContact CD2-O 3.48Å; V69-V71 HydrophobicContact CG2-CG1 4.33Å; V71-E76 HydrophobicContact CB-CB 4.39Å; V71-E76 HydrophobicContact CG1-CB 4.1Å; V71-E76 WeakPolarHBondContact CG1-OE2 3.49Å; V71-A77 HydrophobicContact CG2-CB 3.7Å
72T98.4Very high98.4Very high50 Ų5047.6 Ų47.631%0.30726%0.255SS..SBendtrans-124.77.6-177.755.40000113.7D42 K47D42-T72 VanDerWaalsContact O-CA 3.31Å; D42-T72 WeakPolarHBondContact O-CA 3.26Å; K47-T72 HydrophobicContact CB-CG2 4.09Å; K47-T72 HydrophobicContact CD-CG2 3.9Å; K47-T72 HydrophobicContact CG-CG2 4.42Å
73N98.1Very high98.4Very high55 Ų5546.4 Ų46.429%0.29425%0.25SC..SBendtrans-127.6147.7176.172.380.6000111.3A75 E76 A77N73-A75 PolarHBondContact O-N 2.96Å; N73-A75 PolarHBondContact OD1-N 3.33Å; N73-E76 VanDerWaalsContact ND2-CD 3.25Å; N73-E76 PolarHBondContact ND2-OE1 3.35Å; N73-E76 WeakPolarHBondContact OD1-CB 3.27Å; N73-E76 WeakPolarHBondContact OD1-CG 3.47Å; N73-E76 PolarHBondContact OD1-N 2.94Å; N73-A77 VanDerWaalsContact O-CB 3.28Å; N73-A77 WeakPolarHBondContact O-CB 3.28Å; N73-A77 PolarHBondContact O-N 2.91Å
74E98.5Very high98.5Very high50 Ų5041.4 Ų41.423%0.23422%0.217CC..Hα-helixtrans-72.2-28.6-174.5-64.1-178.5159.100112.8L41 A77 F78 S111 Q112 A115L41-E74 HydrophobicContact CD2-CG 4.29Å; E74-A77 PolarHBondContact O-N 3.04Å; E74-F78 HydrophobicContact CB-CD2 3.96Å; E74-F78 HydrophobicContact CB-CE2 4.2Å; E74-F78 HydrophobicContact CG-CD2 4.44Å; E74-F78 HydrophobicContact CG-CE2 4.18Å; E74-F78 WeakPolarHBondContact O-CB 3.34Å; E74-F78 VanDerWaalsContact O-CD2 3.27Å; E74-F78 WeakPolarHBondContact O-CD2 3.28Å; E74-F78 PolarHBondContact O-N 2.83Å; E74-S111 PolarHBondContact OE1-OG 3.24Å; E74-S111 WeakPolarHBondContact OE2-CB 3.37Å; E74-S111 PolarHBondContact OE2-OG 3.49Å; E74-Q112 VanDerWaalsContact OE1-CG 3.24Å; E74-Q112 WeakPolarHBondContact OE1-CG 3.24Å; E74-A115 HydrophobicContact CB-CB 3.85Å
75A98.4Very high98.5Very high36 Ų3640.3 Ų40.330%0.29821%0.211SC..Hα-helixtrans-63.7-47.4-178.700000112.1N73 Y119N73-A75 PolarHBondContact O-N 2.96Å; N73-A75 PolarHBondContact OD1-N 3.33Å; A75-Y119 HydrophobicContact CB-CD2 4.5Å; A75-Y119 HydrophobicContact CB-CE1 4.14Å; A75-Y119 HydrophobicContact CB-CE2 3.84Å
76E98.2Very high98.5Very high109 Ų10939.1 Ų39.151%0.50921%0.205SC..Hα-helixtrans-69.6-38.8174.4-70.5175.2-13200112V71 N73V71-E76 HydrophobicContact CB-CB 4.39Å; V71-E76 HydrophobicContact CG1-CB 4.1Å; V71-E76 WeakPolarHBondContact CG1-OE2 3.49Å; N73-E76 VanDerWaalsContact ND2-CD 3.25Å; N73-E76 PolarHBondContact ND2-OE1 3.35Å; N73-E76 WeakPolarHBondContact OD1-CB 3.27Å; N73-E76 WeakPolarHBondContact OD1-CG 3.47Å; N73-E76 PolarHBondContact OD1-N 2.94Å
77A98.8Very high98.6Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-66.2-42.9-175.600000113.4L8 V39 L41 V71 N73 E74 I81L8-A77 HydrophobicContact CD1-CB 3.92Å; V39-A77 HydrophobicContact CG1-CB 4.29Å; L41-A77 HydrophobicContact CB-CB 3.9Å; L41-A77 HydrophobicContact CD1-CB 3.99Å; L41-A77 HydrophobicContact CD2-CB 3.78Å; L41-A77 HydrophobicContact CG-CB 4.09Å; V71-A77 HydrophobicContact CG2-CB 3.7Å; N73-A77 VanDerWaalsContact O-CB 3.28Å; N73-A77 WeakPolarHBondContact O-CB 3.28Å; N73-A77 PolarHBondContact O-N 2.91Å; E74-A77 PolarHBondContact O-N 3.04Å; A77-I81 WeakPolarHBondContact O-CG2 3.18Å
78F98.8Very high98.5Very high0 Ų032.7 Ų32.70%018%0.182CC..SBendtrans-90.9-1.7-173.5-74.9-99.4000113.6L8 T10 L41 E74 D80 I81 L86 Q112 A115 L116 Y119 A120L8-F78 HydrophobicContact CD2-CD1 3.72Å; L8-F78 HydrophobicContact CD2-CD2 3.83Å; L8-F78 HydrophobicContact CD2-CE1 3.53Å; L8-F78 HydrophobicContact CD2-CE2 3.67Å; L8-F78 HydrophobicContact CD2-CG 3.87Å; L8-F78 HydrophobicContact CD2-CZ 3.51Å; T10-F78 HydrophobicContact CG2-CZ 4.33Å; L41-F78 HydrophobicContact CD2-CE2 3.84Å; E74-F78 HydrophobicContact CB-CD2 3.96Å; E74-F78 HydrophobicContact CB-CE2 4.2Å; E74-F78 HydrophobicContact CG-CD2 4.44Å; E74-F78 HydrophobicContact CG-CE2 4.18Å; E74-F78 WeakPolarHBondContact O-CB 3.34Å; E74-F78 VanDerWaalsContact O-CD2 3.27Å; E74-F78 WeakPolarHBondContact O-CD2 3.28Å; E74-F78 PolarHBondContact O-N 2.83Å; F78-D80 PolarHBondContact O-N 3.06Å; F78-I81 HydrophobicContact CD1-CD1 3.85Å; F78-I81 HydrophobicContact CE1-CD1 4.48Å; F78-I81 HydrophobicContact CG-CD1 4.44Å; F78-L86 HydrophobicContact CE1-CD2 4.09Å; F78-L86 HydrophobicContact CZ-CD2 3.94Å; F78-Q112 HydrophobicContact CE1-CB 4.36Å; F78-Q112 HydrophobicContact CE2-CB 4.45Å; F78-Q112 HydrophobicContact CE2-CG 4.15Å; F78-Q112 HydrophobicContact CZ-CB 3.75Å; F78-Q112 HydrophobicContact CZ-CG 3.77Å; F78-A115 HydrophobicContact CB-CB 4.01Å; F78-A115 HydrophobicContact CD1-CB 4.17Å; F78-A115 HydrophobicContact CD2-CB 3.73Å; F78-A115 HydrophobicContact CE2-CB 4.21Å; F78-A115 HydrophobicContact CG-CB 3.7Å; F78-L116 HydrophobicContact CD1-CB 4.48Å; F78-L116 HydrophobicContact CD1-CD2 3.68Å; F78-L116 HydrophobicContact CD1-CG 3.67Å; F78-L116 HydrophobicContact CE1-CD1 4.38Å; F78-L116 HydrophobicContact CE1-CD2 3.85Å; F78-L116 HydrophobicContact CE1-CG 3.64Å; F78-Y119 HydrophobicContact CB-CD2 4.46Å; F78-Y119 CarbonylContact O-C 3.35Å; F78-A120 VanDerWaalsContact O-CA 3.23Å; F78-A120 WeakPolarHBondContact O-CA 3.33Å; F78-A120 PolarHBondContact O-N 3.43Å; F78-A120 VanDerWaalsContact O-N 3.14Å
79K98.7Very high98.4Very high118 Ų11833.2 Ų33.251%0.51319%0.189SC..THydrogen-bonded Turntrans-64.4123-179.9-174.4174.3-179.5-177.40112.6R6 I81R6-K79 VanDerWaalsContact CD-O 3.23Å; R6-K79 WeakPolarHBondContact CD-O 3.49Å; R6-K79 PolarHBondContact NE-O 3.25Å; K79-I81 WeakPolarHBondContact O-CG2 3.3Å; K79-I81 PolarHBondContact O-N 3.08Å; K79-I81 VanDerWaalsContact O-N 3.08Å
80D98.3Very high98.2Very high84 Ų8433.1 Ų33.145%0.44919%0.185SC..THydrogen-bonded Turntrans54.825.1171-59.8-46.2000115.1F78 Y119 K121F78-D80 PolarHBondContact O-N 3.06Å; D80-Y119 PolarHBondContact N-O 2.81Å; D80-K121 WeakPolarHBondContact O-CD 3.39Å; D80-K121 WeakPolarHBondContact O-CE 3.5Å; D80-K121 PolarHBondContact O-NZ 3.4Å
81I98.7Very high97.7Very high0 Ų036.3 Ų36.30%020%0.204CC..  trans-73.8143.8-177.567.6174.7000112.4R6 L8 A77 F78 K79 A84 L116 A120 K121R6-I81 HydrophobicContact CG-CG2 4.13Å; L8-I81 HydrophobicContact CB-CD1 3.9Å; L8-I81 HydrophobicContact CB-CG2 4.2Å; L8-I81 HydrophobicContact CD2-CD1 3.74Å; L8-I81 HydrophobicContact CG-CD1 4.49Å; A77-I81 WeakPolarHBondContact O-CG2 3.18Å; F78-I81 HydrophobicContact CD1-CD1 3.85Å; F78-I81 HydrophobicContact CE1-CD1 4.48Å; F78-I81 HydrophobicContact CG-CD1 4.44Å; K79-I81 WeakPolarHBondContact O-CG2 3.3Å; K79-I81 PolarHBondContact O-N 3.08Å; K79-I81 VanDerWaalsContact O-N 3.08Å; I81-A84 HydrophobicContact CD1-CB 3.87Å; I81-L116 HydrophobicContact CD1-CD2 4.12Å; I81-A120 HydrophobicContact CD1-CB 4.22Å; I81-A120 HydrophobicContact CG1-CB 3.63Å; I81-K121 PolarHBondContact O-N 2.8Å
82D98.6Very high97.1Very high34 Ų3443.8 Ų43.818%0.18223%0.231CC..SBendtrans-97.6-32.7176.5-62.1-74.7000112R6 K121 C124 R125R6-D82 PolarHBondContact N-OD2 3.07Å; R6-D82 PolarHBondContact O-N 2.62Å; D82-K121 WeakPolarHBondContact OD1-CD 3.15Å; D82-K121 IonicContact OD1-NZ 3.01Å; D82-K121 PolarHBondContact OD1-NZ 2.84Å; D82-K121 IonicContact OD2-NZ 2.63Å; D82-K121 PolarHBondContact OD2-NZ 2.73Å; D82-C124 VanDerWaalsContact O-CA 3.29Å; D82-C124 WeakPolarHBondContact O-CA 3.33Å; D82-R125 PolarHBondContact O-N 2.92Å
83V98.8Very high96.6Very high4 Ų447.4 Ų47.42%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-140.2139.1-177.1178.70000109.4R6 V7 L8 F85 R125 M255 L259R6-V83 PolarHBondContact O-N 3.27Å; V7-V83 WeakPolarHBondContact CA-O 3.39Å; V7-V83 HydrophobicContact CG1-CB 4.13Å; V7-V83 HydrophobicContact CG1-CG1 4.17Å; V7-V83 HydrophobicContact CG2-CB 4.32Å; L8-V83 PolarHBondContact N-O 2.94Å; V83-F85 HydrophobicContact CG1-CD2 4.12Å; V83-F85 HydrophobicContact CG1-CE2 3.68Å; V83-R125 CarbonylContact C-O 3.47Å; V83-R125 WeakPolarHBondContact CA-O 3.13Å; V83-M255 HydrophobicContact CG1-CE 3.67Å; V83-M255 HydrophobicContact CG1-CG 3.79Å; V83-M255 HydrophobicContact CG1-SD 3.69Å; V83-L259 HydrophobicContact CG2-CD1 4.17Å
84A98.9Very high95.9Very high0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-130.8131.217600000112.1L8 I81 L86 R125 V126 I127L8-A84 HydrophobicContact CB-CB 4.31Å; L8-A84 HydrophobicContact CD2-CB 4.4Å; L8-A84 CarbonylContact O-C 3.56Å; L8-A84 WeakPolarHBondContact O-CA 3.5Å; I81-A84 HydrophobicContact CD1-CB 3.87Å; A84-L86 HydrophobicContact CB-CD2 4.13Å; A84-R125 PolarHBondContact N-O 3.49Å; A84-V126 HydrophobicContact CB-CB 4.48Å; A84-V126 HydrophobicContact CB-CG1 4.21Å; A84-V126 HydrophobicContact CB-CG2 4.15Å; A84-V126 WeakPolarHBondContact O-CA 3.12Å; A84-I127 PolarHBondContact O-N 3.47Å
85F98.9Very high95.5Very high0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-105.4102.4167.4-68.5-103.3000108.6V7 L8 V9 T10 I20 I24 V29 V83 V87 I127 A251 M255V7-F85 HydrophobicContact CG1-CD2 4.07Å; V7-F85 HydrophobicContact CG1-CE2 4.02Å; L8-F85 PolarHBondContact O-N 3.22Å; V9-F85 HydrophobicContact CG1-CB 4.37Å; V9-F85 HydrophobicContact CG2-CB 4.26Å; V9-F85 HydrophobicContact CG2-CD2 4.44Å; T10-F85 PolarHBondContact N-O 2.96Å; I20-F85 HydrophobicContact CD1-CD1 4.23Å; I20-F85 HydrophobicContact CG2-CD1 4.23Å; I20-F85 HydrophobicContact CG2-CG 4.36Å; I24-F85 HydrophobicContact CD1-CD2 3.71Å; I24-F85 HydrophobicContact CD1-CE2 3.48Å; I24-F85 VanDerWaalsContact CD1-CE2 3.48Å; I24-F85 HydrophobicContact CD1-CG 4.38Å; I24-F85 HydrophobicContact CD1-CZ 3.98Å; I24-F85 HydrophobicContact CG1-CE2 4.12Å; I24-F85 HydrophobicContact CG1-CZ 4.26Å; V29-F85 HydrophobicContact CG1-CZ 4.11Å; V29-F85 HydrophobicContact CG2-CZ 4.3Å; V83-F85 HydrophobicContact CG1-CD2 4.12Å; V83-F85 HydrophobicContact CG1-CE2 3.68Å; F85-V87 HydrophobicContact CB-CG2 4.13Å; F85-V87 PolarHBondContact O-N 2.89Å; F85-I127 HydrophobicContact CB-CG2 4.26Å; F85-I127 HydrophobicContact CD1-CG2 3.38Å; F85-I127 HydrophobicContact CD2-CG2 4.49Å; F85-I127 HydrophobicContact CE1-CG2 3.77Å; F85-I127 HydrophobicContact CG-CG2 3.8Å; F85-I127 HydrophobicContact CZ-CG2 4.47Å; F85-A251 HydrophobicContact CD1-CB 4.08Å; F85-A251 HydrophobicContact CE1-CB 4.05Å; F85-M255 HydrophobicContact CE1-CB 3.99Å; F85-M255 HydrophobicContact CE2-CB 4.4Å; F85-M255 HydrophobicContact CE2-CG 4.13Å; F85-M255 HydrophobicContact CZ-CB 3.52Å; F85-M255 HydrophobicContact CZ-CG 3.72Å
86L98.9Very high95Very high0 Ų055.7 Ų55.70%029%0.294CS..EExtended strand (participates in β ladder)trans-88.786.2178.4-51.9-171.5000109.5T10 F78 A84 F109 V126 I127 V128 V129 G130T10-L86 HydrophobicContact CG2-CD2 3.59Å; T10-L86 WeakPolarHBondContact OG1-CA 3.27Å; F78-L86 HydrophobicContact CE1-CD2 4.09Å; F78-L86 HydrophobicContact CZ-CD2 3.94Å; A84-L86 HydrophobicContact CB-CD2 4.13Å; L86-F109 HydrophobicContact CB-CE1 3.83Å; L86-F109 HydrophobicContact CD1-CD1 4.23Å; L86-F109 HydrophobicContact CD1-CE1 4.1Å; L86-V126 HydrophobicContact CD1-CG1 3.61Å; L86-V126 HydrophobicContact CG-CG1 3.72Å; L86-I127 PolarHBondContact N-O 3.03Å; L86-V128 HydrophobicContact CB-CG2 4.28Å; L86-V128 HydrophobicContact CD1-CG2 4.12Å; L86-V129 PolarHBondContact O-N 2.93Å; L86-G130 PolarHBondContact O-N 3.25Å
87V98.7Very high94.5Very high17 Ų1755.9 Ų55.910%0.10330%0.295CS..  trans-97.1-37.9-176.2-168.50000111.4V9 T10 I16 I20 F85 A89 V129 G130V9-V87 HydrophobicContact CG1-CG2 4.2Å; T10-V87 VanDerWaalsContact O-CB 3.26Å; T10-V87 WeakPolarHBondContact O-CB 3.46Å; T10-V87 PolarHBondContact OG1-N 2.95Å; I16-V87 HydrophobicContact CB-CG1 3.71Å; I16-V87 HydrophobicContact CD1-CG1 4.42Å; I16-V87 HydrophobicContact CG2-CG1 3.55Å; I20-V87 HydrophobicContact CD1-CG2 3.79Å; F85-V87 HydrophobicContact CB-CG2 4.13Å; F85-V87 PolarHBondContact O-N 2.89Å; V87-A89 PolarHBondContact O-N 3.36Å; V87-V129 HydrophobicContact CB-CB 4.48Å; V87-V129 HydrophobicContact CG1-CB 4.43Å; V87-V129 HydrophobicContact CG1-CG1 4.16Å; V87-V129 HydrophobicContact CG2-CB 4.28Å; V87-V129 HydrophobicContact CG2-CG2 4.49Å; V87-G130 WeakPolarHBondContact O-CA 3.42Å
88G97.2Very high93.9Very high20 Ų2061.8 Ų61.821%0.20632%0.317CS..  trans-62.2116.3179.400000111.5T10T10-G88 PolarHBondContact O-N 3.34Å; T10-G88 PolarHBondContact OG1-N 3.16Å
89A96.7Very high93.4Very high32 Ų3267.5 Ų67.526%0.26434%0.342SS..  trans-141.5158.4173.900000108.9V87 P91 N105 F109V87-A89 PolarHBondContact O-N 3.36Å; A89-P91 VanDerWaalsContact O-CD 3.3Å; A89-P91 WeakPolarHBondContact O-CD 3.42Å; A89-N105 WeakPolarHBondContact CB-OD1 3.5Å; A89-F109 HydrophobicContact CB-CE2 4.17Å
90M93.9Very high93Very high55 Ų5565.4 Ų65.427%0.27134%0.337SS..PPolyproline II helixtrans-68.6118.5175.3-172.264.7178.600108.9K93 M96 L101 A104 N105 I108M90-K93 HydrophobicContact CE-CD 3.85Å; M90-K93 HydrophobicContact CE-CG 4.35Å; M90-M96 HydrophobicContact CE-CE 4.24Å; M90-L101 VanDerWaalsContact O-CD1 3.27Å; M90-L101 WeakPolarHBondContact O-CD1 3.33Å; M90-A104 HydrophobicContact CB-CB 4.23Å; M90-A104 HydrophobicContact CG-CB 4.1Å; M90-N105 PolarHBondContact N-OD1 2.86Å; M90-N105 PolarHBondContact O-ND2 3.22Å; M90-I108 HydrophobicContact CB-CD1 4.06Å
91P88Confident92.7Very high87 Ų8763 Ų6357%0.56532%0.323SS*.PPolyproline II helixtrans-70.3148.5174.230-34.1000109.8A89 K93A89-P91 VanDerWaalsContact O-CD 3.3Å; A89-P91 WeakPolarHBondContact O-CD 3.42Å; P91-K93 PolarHBondContact O-N 3.08Å
92R86.3Confident92.5Very high169 Ų16963.4 Ų63.464%0.63833%0.326SS*.PPolyproline II helixtrans-61.9120.3171.5-168174.4-175.5-176.1-1.1109.4M96 L101R92-M96 HydrophobicContact CG-CB 4.46Å; R92-M96 PolarHBondContact NE-O 3.4Å; R92-M96 PolarHBondContact NH2-O 3.29Å; R92-L101 HydrophobicContact CB-CD1 4.32Å; R92-L101 HydrophobicContact CB-CD2 3.83Å; R92-L101 HydrophobicContact CG-CD2 4.06Å
93K87.7Confident92.3Very high126 Ų12663.6 Ų63.655%0.54833%0.332SS..PPolyproline II helixtrans-89.7156.4171.9-67.9-177.4173.61790110.4M90 P91 G95 M96M90-K93 HydrophobicContact CE-CD 3.85Å; M90-K93 HydrophobicContact CE-CG 4.35Å; P91-K93 PolarHBondContact O-N 3.08Å; K93-G95 PolarHBondContact O-N 3.33Å; K93-M96 HydrophobicContact CB-CB 4.48Å; K93-M96 HydrophobicContact CB-CE 4.28Å; K93-M96 HydrophobicContact CD-CE 4.49Å; K93-M96 HydrophobicContact CG-CE 4.49Å; K93-M96 VanDerWaalsContact O-CB 3.23Å; K93-M96 WeakPolarHBondContact O-CB 3.32Å; K93-M96 PolarHBondContact O-N 3.4Å; K93-M96 VanDerWaalsContact O-N 3.1Å
94E83.8Confident92.1Very high204 Ų20465 Ų6595%0.95334%0.344SS*.THydrogen-bonded Turntrans-55.8136171.5-170.1170.2-168.400110.1M96E94-M96 PolarHBondContact O-N 2.92Å
95G88.6Confident92.1Very high76 Ų7665 Ų6578%0.78434%0.344SS*.THydrogen-bonded Turntrans76.5-4.1-175.700000116.1K93 E97K93-G95 PolarHBondContact O-N 3.33Å; G95-E97 PolarHBondContact O-N 3.2Å
96M87.6Confident92Very high34 Ų3465 Ų6517%0.16734%0.344CS..  trans-79.2123178.8-168.7176.5-82.500111.3M90 R92 K93 E94 D100 L101M90-M96 HydrophobicContact CE-CE 4.24Å; R92-M96 HydrophobicContact CG-CB 4.46Å; R92-M96 PolarHBondContact NE-O 3.4Å; R92-M96 PolarHBondContact NH2-O 3.29Å; K93-M96 HydrophobicContact CB-CB 4.48Å; K93-M96 HydrophobicContact CB-CE 4.28Å; K93-M96 HydrophobicContact CD-CE 4.49Å; K93-M96 HydrophobicContact CG-CE 4.49Å; K93-M96 VanDerWaalsContact O-CB 3.23Å; K93-M96 WeakPolarHBondContact O-CB 3.32Å; K93-M96 PolarHBondContact O-N 3.4Å; K93-M96 VanDerWaalsContact O-N 3.1Å; E94-M96 PolarHBondContact O-N 2.92Å; M96-D100 HydrophobicContact CG-CB 3.81Å; M96-L101 HydrophobicContact CG-CB 4.15Å; M96-L101 HydrophobicContact SD-CB 3.75Å; M96-L101 HydrophobicContact SD-CD1 3.81Å; M96-L101 HydrophobicContact SD-CG 4.4Å
97E89.2Confident91.9Very high114 Ų11472.9 Ų72.953%0.53338%0.378SS..  trans-70.3157.8173.1-66-57.8141.400111.3G95 K99 D100 L101G95-E97 PolarHBondContact O-N 3.2Å; E97-K99 VanDerWaalsContact C-N 3.25Å; E97-K99 HydrophobicContact CB-CG 4.15Å; E97-K99 PolarHBondContact O-N 3.37Å; E97-D100 WeakPolarHBondContact CB-OD2 3.36Å; E97-D100 PolarHBondContact O-N 2.95Å; E97-D100 VanDerWaalsContact O-N 3.16Å; E97-L101 PolarHBondContact O-N 3.46Å; E97-L101 VanDerWaalsContact O-N 3.1Å
98R84.9Confident91.9Very high123 Ų12374.4 Ų74.446%0.46439%0.385SS..Hα-helixtrans-56.3-41.9179.1-174.6-176-176172.98.9111.6L101 L102 E321 E325R98-L101 PolarHBondContact O-N 3.18Å; R98-L102 WeakPolarHBondContact O-CB 3.5Å; R98-L102 PolarHBondContact O-N 2.97Å; R98-E321 IonicContact NH2-OE1 2.84Å; R98-E321 PolarHBondContact NH2-OE1 3.34Å; R98-E321 VanDerWaalsContact NH2-OE1 3.13Å; R98-E325 IonicContact CZ-OE1 3.5Å; R98-E325 IonicContact NE-OE1 3.43Å; R98-E325 IonicContact NH2-OE1 2.63Å; R98-E325 PolarHBondContact NH2-OE1 2.92Å
99K88.5Confident91.9Very high121 Ų12173.4 Ų73.453%0.52638%0.376SS..Hα-helixtrans-63.8-39179.369.4-179.5-174.5175.50112.4E97 L102 A103E97-K99 VanDerWaalsContact C-N 3.25Å; E97-K99 HydrophobicContact CB-CG 4.15Å; E97-K99 PolarHBondContact O-N 3.37Å; K99-L102 PolarHBondContact O-N 3.21Å; K99-A103 WeakPolarHBondContact O-CB 3.47Å; K99-A103 PolarHBondContact O-N 2.98Å
100D91.4Very high92Very high74 Ų7475.5 Ų75.540%0.39638%0.378SS..Hα-helixtrans-71.4-41.2-178-57-30.3000110.3M96 E97 L102 A103 A104M96-D100 HydrophobicContact CG-CB 3.81Å; E97-D100 WeakPolarHBondContact CB-OD2 3.36Å; E97-D100 PolarHBondContact O-N 2.95Å; E97-D100 VanDerWaalsContact O-N 3.16Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.41Å; D100-A103 PolarHBondContact O-N 2.86Å; D100-A104 WeakPolarHBondContact O-CB 3.23Å; D100-A104 PolarHBondContact O-N 2.89Å
101L92.1Very high92.2Very high32 Ų3275.4 Ų75.417%0.16838%0.383CS..Hα-helixtrans-60.8-42.8173.1179.563.6000111.5M90 R92 M96 E97 R98 N105M90-L101 VanDerWaalsContact O-CD1 3.27Å; M90-L101 WeakPolarHBondContact O-CD1 3.33Å; R92-L101 HydrophobicContact CB-CD1 4.32Å; R92-L101 HydrophobicContact CB-CD2 3.83Å; R92-L101 HydrophobicContact CG-CD2 4.06Å; M96-L101 HydrophobicContact CG-CB 4.15Å; M96-L101 HydrophobicContact SD-CB 3.75Å; M96-L101 HydrophobicContact SD-CD1 3.81Å; M96-L101 HydrophobicContact SD-CG 4.4Å; E97-L101 PolarHBondContact O-N 3.46Å; E97-L101 VanDerWaalsContact O-N 3.1Å; R98-L101 PolarHBondContact O-N 3.18Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.35Å; L101-N105 PolarHBondContact O-N 2.85Å; L101-N105 VanDerWaalsContact O-N 3.14Å; L101-N105 PolarHBondContact O-ND2 3.04Å
102L93.1Very high92.7Very high10 Ų1071.7 Ų71.75%0.05236%0.359CS..Hα-helixtrans-64.1-50.2177.8-175.663.2000110.6R98 K99 D100 A104 N105 V106 P132 T135 E328 A329R98-L102 WeakPolarHBondContact O-CB 3.5Å; R98-L102 PolarHBondContact O-N 2.97Å; K99-L102 PolarHBondContact O-N 3.21Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.41Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 2.8Å; L102-N105 PolarHBondContact O-N 3.09Å; L102-N105 VanDerWaalsContact O-N 3.13Å; L102-V106 HydrophobicContact CD1-CG2 4.47Å; L102-V106 HydrophobicContact CG-CG2 4.34Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.47Å; L102-V106 PolarHBondContact O-N 3.05Å; L102-P132 HydrophobicContact CD1-CG 3.72Å; L102-T135 HydrophobicContact CD1-CG2 3.86Å; L102-E328 HydrophobicContact CD2-CB 3.7Å; L102-E328 HydrophobicContact CD2-CG 3.76Å; L102-A329 HydrophobicContact CD1-CB 4.22Å; L102-A329 HydrophobicContact CD2-CB 4.16Å; L102-A329 HydrophobicContact CG-CB 4.27Å
103A94.6Very high93.3Very high38 Ų3863.7 Ų63.731%0.31433%0.328SS..Hα-helixtrans-58.8-41.3178.800000112.6K99 D100 N105 V106 K107K99-A103 WeakPolarHBondContact O-CB 3.47Å; K99-A103 PolarHBondContact O-N 2.98Å; D100-A103 PolarHBondContact O-N 2.86Å; A103-N105 PolarHBondContact O-N 2.91Å; A103-V106 PolarHBondContact O-N 3.29Å; A103-K107 PolarHBondContact O-N 3.24Å; A103-K107 VanDerWaalsContact O-N 3.15Å
104A96Very high93.8Very high33 Ų3359.9 Ų59.927%0.27332%0.32SS..Hα-helixtrans-61.3-43.9175.700000112M90 D100 L102 K107 I108M90-A104 HydrophobicContact CB-CB 4.23Å; M90-A104 HydrophobicContact CG-CB 4.1Å; D100-A104 WeakPolarHBondContact O-CB 3.23Å; D100-A104 PolarHBondContact O-N 2.89Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 2.8Å; A104-K107 PolarHBondContact O-N 3.14Å; A104-I108 PolarHBondContact O-N 3.15Å
105N97.3Very high94.6Very high0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-72.3-35.7177.5-76.8-60.9000112.6A89 M90 L101 L102 A103 K107 I108 F109 N131A89-N105 WeakPolarHBondContact CB-OD1 3.5Å; M90-N105 PolarHBondContact N-OD1 2.86Å; M90-N105 PolarHBondContact O-ND2 3.22Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.35Å; L101-N105 PolarHBondContact O-N 2.85Å; L101-N105 VanDerWaalsContact O-N 3.14Å; L101-N105 PolarHBondContact O-ND2 3.04Å; L102-N105 PolarHBondContact O-N 3.09Å; L102-N105 VanDerWaalsContact O-N 3.13Å; A103-N105 PolarHBondContact O-N 2.91Å; N105-K107 PolarHBondContact O-N 3.22Å; N105-I108 PolarHBondContact O-N 2.86Å; N105-F109 HydrophobicContact CB-CD2 4.49Å; N105-F109 WeakPolarHBondContact O-CD2 3.37Å; N105-F109 PolarHBondContact O-N 3.26Å; N105-N131 PolarHBondContact ND2-O 2.85Å
106V97.1Very high95Very high1 Ų146.7 Ų46.71%0.00624%0.239CC..Hα-helixtrans-53.9-44.4172.31680000110.6L102 A103 I108 F109 K110 I139 A329 C333L102-V106 HydrophobicContact CD1-CG2 4.47Å; L102-V106 HydrophobicContact CG-CG2 4.34Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.47Å; L102-V106 PolarHBondContact O-N 3.05Å; A103-V106 PolarHBondContact O-N 3.29Å; V106-I108 PolarHBondContact O-N 3.24Å; V106-F109 PolarHBondContact O-N 3.26Å; V106-K110 WeakPolarHBondContact O-CB 3.48Å; V106-K110 PolarHBondContact O-N 3.03Å; V106-I139 HydrophobicContact CG1-CG2 4.35Å; V106-I139 HydrophobicContact CG2-CG1 4.23Å; V106-A329 HydrophobicContact CG2-CB 3.73Å; V106-C333 WeakPolarHBondContact CG1-SG 3.34Å
107K97.3Very high95.6Very high164 Ų16446.5 Ų46.571%0.71324%0.242SC*.Hα-helixtrans-58.8-45.1176.4-175.1178.5177.9179.60112.3A103 A104 N105 S111A103-K107 PolarHBondContact O-N 3.24Å; A103-K107 VanDerWaalsContact O-N 3.15Å; A104-K107 PolarHBondContact O-N 3.14Å; N105-K107 PolarHBondContact O-N 3.22Å; K107-S111 PolarHBondContact O-N 3.46Å; K107-S111 VanDerWaalsContact O-N 3.14Å
108I98.1Very high96Very high49 Ų4946.9 Ų46.925%0.25124%0.244SC..Hα-helixtrans-63.2-53.3179.6-63.8169.3000110.4M90 A104 N105 V106 K110 S111 Q112M90-I108 HydrophobicContact CB-CD1 4.06Å; A104-I108 PolarHBondContact O-N 3.15Å; N105-I108 PolarHBondContact O-N 2.86Å; V106-I108 PolarHBondContact O-N 3.24Å; I108-K110 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 3.46Å; I108-S111 WeakPolarHBondContact O-CB 3.42Å; I108-S111 PolarHBondContact O-N 2.87Å; I108-Q112 HydrophobicContact CG2-CG 4.49Å; I108-Q112 WeakPolarHBondContact O-CG 3.44Å; I108-Q112 PolarHBondContact O-N 2.8Å
109F98.5Very high96.7Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-76.2-21.9-174.3-74.6-87.7000113.4L86 A89 N105 V106 G113 V128 N136 I139 C140L86-F109 HydrophobicContact CB-CE1 3.83Å; L86-F109 HydrophobicContact CD1-CD1 4.23Å; L86-F109 HydrophobicContact CD1-CE1 4.1Å; A89-F109 HydrophobicContact CB-CE2 4.17Å; N105-F109 HydrophobicContact CB-CD2 4.49Å; N105-F109 WeakPolarHBondContact O-CD2 3.37Å; N105-F109 PolarHBondContact O-N 3.26Å; V106-F109 PolarHBondContact O-N 3.26Å; F109-G113 PolarHBondContact O-N 3.35Å; F109-V128 HydrophobicContact CD1-CG1 4.44Å; F109-V128 HydrophobicContact CE1-CG1 3.66Å; F109-V128 HydrophobicContact CE1-CG2 4.15Å; F109-V128 HydrophobicContact CZ-CG1 4.03Å; F109-N136 HydrophobicContact CB-CB 4.4Å; F109-N136 HydrophobicContact CD1-CB 3.8Å; F109-N136 HydrophobicContact CD2-CB 3.56Å; F109-N136 WeakPolarHBondContact CD2-OD1 3.34Å; F109-N136 HydrophobicContact CE1-CB 3.89Å; F109-N136 HydrophobicContact CE2-CB 3.69Å; F109-N136 WeakPolarHBondContact CE2-ND2 3.36Å; F109-N136 HydrophobicContact CG-CB 3.63Å; F109-N136 HydrophobicContact CZ-CB 3.84Å; F109-I139 HydrophobicContact CB-CB 4.42Å; F109-I139 HydrophobicContact CB-CG2 4.2Å; F109-C140 HydrophobicContact CB-CB 4.38Å; F109-C140 HydrophobicContact CD1-CB 4.2Å; F109-C140 WeakPolarHBondContact O-CA 3.45Å
110K98.1Very high97.2Very high75 Ų7538.8 Ų38.833%0.32621%0.211SC..Hα-helixtrans-63.8-48.5164.9173170.8-179.9177.60110.9V106 I108 G113 A114 I139 Y143 C333V106-K110 WeakPolarHBondContact O-CB 3.48Å; V106-K110 PolarHBondContact O-N 3.03Å; I108-K110 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 3.46Å; K110-G113 PolarHBondContact O-N 2.85Å; K110-A114 PolarHBondContact O-N 3.21Å; K110-I139 HydrophobicContact CB-CG2 4.21Å; K110-Y143 HydrophobicContact CB-CD2 3.83Å; K110-Y143 HydrophobicContact CB-CE2 3.83Å; K110-Y143 HydrophobicContact CB-CG 4.4Å; K110-Y143 HydrophobicContact CD-CD2 4.42Å; K110-Y143 HydrophobicContact CD-CE1 3.99Å; K110-Y143 HydrophobicContact CD-CE2 3.76Å; K110-Y143 WeakPolarHBondContact CE-OH 3.42Å; K110-Y143 HydrophobicContact CG-CD1 3.99Å; K110-Y143 HydrophobicContact CG-CD2 3.69Å; K110-Y143 HydrophobicContact CG-CE1 3.85Å; K110-Y143 HydrophobicContact CG-CE2 3.53Å; K110-Y143 HydrophobicContact CG-CG 3.92Å; K110-C333 PolarHBondContact NZ-O 2.58Å
111S98.3Very high97.5Very high53 Ų5338.4 Ų38.437%0.37121%0.206SC..Hα-helixtrans-61.4-50.6177.8-158.50000111.5E74 K107 I108 G113 A114 A115E74-S111 PolarHBondContact OE1-OG 3.24Å; E74-S111 WeakPolarHBondContact OE2-CB 3.37Å; E74-S111 PolarHBondContact OE2-OG 3.49Å; K107-S111 PolarHBondContact O-N 3.46Å; K107-S111 VanDerWaalsContact O-N 3.14Å; I108-S111 WeakPolarHBondContact O-CB 3.42Å; I108-S111 PolarHBondContact O-N 2.87Å; S111-G113 VanDerWaalsContact C-N 3.33Å; S111-G113 PolarHBondContact O-N 3.15Å; S111-A114 WeakPolarHBondContact O-CB 3.3Å; S111-A114 PolarHBondContact O-N 3.37Å; S111-A114 VanDerWaalsContact O-N 3.11Å; S111-A115 PolarHBondContact O-N 2.82Å
112Q98.7Very high97.8Very high10 Ų1040.5 Ų40.55%0.04722%0.221CC..Hα-helixtrans-64.6-35.2178.6-67.5179.86.900112.8E74 F78 I108 A115 L116E74-Q112 VanDerWaalsContact OE1-CG 3.24Å; E74-Q112 WeakPolarHBondContact OE1-CG 3.24Å; F78-Q112 HydrophobicContact CE1-CB 4.36Å; F78-Q112 HydrophobicContact CE2-CB 4.45Å; F78-Q112 HydrophobicContact CE2-CG 4.15Å; F78-Q112 HydrophobicContact CZ-CB 3.75Å; F78-Q112 HydrophobicContact CZ-CG 3.77Å; I108-Q112 HydrophobicContact CG2-CG 4.49Å; I108-Q112 WeakPolarHBondContact O-CG 3.44Å; I108-Q112 PolarHBondContact O-N 2.8Å; Q112-A115 PolarHBondContact O-N 3.17Å; Q112-L116 WeakPolarHBondContact O-CG 3.31Å; Q112-L116 PolarHBondContact O-N 3.3Å
113G98.7Very high98Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-60.4-47.1170.800000112F109 K110 S111 A115 L116 A117 C140 Y143 A144F109-G113 PolarHBondContact O-N 3.35Å; K110-G113 PolarHBondContact O-N 2.85Å; S111-G113 VanDerWaalsContact C-N 3.33Å; S111-G113 PolarHBondContact O-N 3.15Å; G113-A115 VanDerWaalsContact C-N 3.33Å; G113-A115 PolarHBondContact O-N 3.16Å; G113-L116 WeakPolarHBondContact O-CB 3.27Å; G113-L116 PolarHBondContact O-N 3.33Å; G113-A117 PolarHBondContact O-N 3.44Å; G113-C140 WeakPolarHBondContact CA-O 3.35Å; G113-Y143 CarbonylContact C-O 3.58Å; G113-Y143 CarbonylContact O-C 3.57Å; G113-A144 VanDerWaalsContact O-CA 3.22Å; G113-A144 WeakPolarHBondContact O-CA 3.43Å; G113-A144 PolarHBondContact O-N 3.45Å
114A98.6Very high98.2Very high46 Ų4642.3 Ų42.338%0.3823%0.229SC..Hα-helixtrans-63.5-38.5175.500000112.2K110 S111 A117 Q118K110-A114 PolarHBondContact O-N 3.21Å; S111-A114 WeakPolarHBondContact O-CB 3.3Å; S111-A114 PolarHBondContact O-N 3.37Å; S111-A114 VanDerWaalsContact O-N 3.11Å; A114-A117 PolarHBondContact O-N 2.76Å; A114-Q118 WeakPolarHBondContact O-CB 3.33Å; A114-Q118 PolarHBondContact O-N 2.93Å
115A98.8Very high98.3Very high4 Ų442 Ų423%0.03322%0.221CC..Hα-helixtrans-64.5-39.7175.500000112.3E74 F78 S111 Q112 G113 Q118 Y119E74-A115 HydrophobicContact CB-CB 3.85Å; F78-A115 HydrophobicContact CB-CB 4.01Å; F78-A115 HydrophobicContact CD1-CB 4.17Å; F78-A115 HydrophobicContact CD2-CB 3.73Å; F78-A115 HydrophobicContact CE2-CB 4.21Å; F78-A115 HydrophobicContact CG-CB 3.7Å; S111-A115 PolarHBondContact O-N 2.82Å; Q112-A115 PolarHBondContact O-N 3.17Å; G113-A115 VanDerWaalsContact C-N 3.33Å; G113-A115 PolarHBondContact O-N 3.16Å; A115-Q118 PolarHBondContact O-N 2.9Å; A115-Y119 HydrophobicContact CB-CD2 4.25Å; A115-Y119 WeakPolarHBondContact O-CB 3.47Å; A115-Y119 WeakPolarHBondContact O-CD2 3.44Å; A115-Y119 PolarHBondContact O-N 2.72Å
116L98.9Very high98.4Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-59-48.9170.7-76.9164.5000111.3F78 I81 Q112 G113 Q118 A120 V126 C140 A144 I148F78-L116 HydrophobicContact CD1-CB 4.48Å; F78-L116 HydrophobicContact CD1-CD2 3.68Å; F78-L116 HydrophobicContact CD1-CG 3.67Å; F78-L116 HydrophobicContact CE1-CD1 4.38Å; F78-L116 HydrophobicContact CE1-CD2 3.85Å; F78-L116 HydrophobicContact CE1-CG 3.64Å; I81-L116 HydrophobicContact CD1-CD2 4.12Å; Q112-L116 WeakPolarHBondContact O-CG 3.31Å; Q112-L116 PolarHBondContact O-N 3.3Å; G113-L116 WeakPolarHBondContact O-CB 3.27Å; G113-L116 PolarHBondContact O-N 3.33Å; L116-Q118 VanDerWaalsContact C-N 3.27Å; L116-Q118 PolarHBondContact O-N 3.21Å; L116-A120 HydrophobicContact CD2-CB 3.83Å; L116-A120 WeakPolarHBondContact O-CB 2.8Å; L116-A120 PolarHBondContact O-N 3.07Å; L116-A120 VanDerWaalsContact O-N 3.15Å; L116-V126 HydrophobicContact CD1-CG1 4.42Å; L116-V126 HydrophobicContact CD1-CG2 3.95Å; L116-V126 HydrophobicContact CD2-CG2 3.84Å; L116-C140 WeakPolarHBondContact CD1-SG 3.42Å; L116-A144 HydrophobicContact CB-CB 3.96Å; L116-A144 HydrophobicContact CD1-CB 4.26Å; L116-I148 HydrophobicContact CB-CG1 4.06Å
117A98.7Very high98.5Very high29 Ų2941.9 Ų41.924%0.2422%0.221CC..Hα-helixtrans-60.1-37.3176.900000112.1G113 A114 K147G113-A117 PolarHBondContact O-N 3.44Å; A114-A117 PolarHBondContact O-N 2.76Å; A117-K147 WeakPolarHBondContact O-CD 3.09Å; A117-K147 PolarHBondContact O-NZ 2.92Å; A117-K147 VanDerWaalsContact O-NZ 3.17Å
118Q98.6Very high98.6Very high123 Ų12334.1 Ų34.158%0.57519%0.187SC*.Hα-helixtrans-80.3-46.6-176.5-167.5171.5000112.2A114 A115 L116 K147A114-Q118 WeakPolarHBondContact O-CB 3.33Å; A114-Q118 PolarHBondContact O-N 2.93Å; A115-Q118 PolarHBondContact O-N 2.9Å; L116-Q118 VanDerWaalsContact C-N 3.27Å; L116-Q118 PolarHBondContact O-N 3.21Å; Q118-K147 PolarHBondContact O-NZ 3.41Å; Q118-K147 VanDerWaalsContact O-NZ 3.09Å
119Y98.7Very high98.6Very high73 Ų7332.2 Ų32.229%0.28618%0.178SC..Hα-helixtrans-116.2-25.4-161.2-54.1-69.8000115.1A75 F78 D80 A115A75-Y119 HydrophobicContact CB-CD2 4.5Å; A75-Y119 HydrophobicContact CB-CE1 4.14Å; A75-Y119 HydrophobicContact CB-CE2 3.84Å; F78-Y119 HydrophobicContact CB-CD2 4.46Å; F78-Y119 CarbonylContact O-C 3.35Å; D80-Y119 PolarHBondContact N-O 2.81Å; A115-Y119 HydrophobicContact CB-CD2 4.25Å; A115-Y119 WeakPolarHBondContact O-CB 3.47Å; A115-Y119 WeakPolarHBondContact O-CD2 3.44Å; A115-Y119 PolarHBondContact O-N 2.72Å
120A98.8Very high98.6Very high1 Ų132.5 Ų32.51%0.00818%0.18CC..SBendtrans-78.4163.5-175.700000112.5F78 I81 L116 C124 K147 I148F78-A120 VanDerWaalsContact O-CA 3.23Å; F78-A120 WeakPolarHBondContact O-CA 3.33Å; F78-A120 PolarHBondContact O-N 3.43Å; F78-A120 VanDerWaalsContact O-N 3.14Å; I81-A120 HydrophobicContact CD1-CB 4.22Å; I81-A120 HydrophobicContact CG1-CB 3.63Å; L116-A120 HydrophobicContact CD2-CB 3.83Å; L116-A120 WeakPolarHBondContact O-CB 2.8Å; L116-A120 PolarHBondContact O-N 3.07Å; L116-A120 VanDerWaalsContact O-N 3.15Å; A120-C124 HydrophobicContact CB-CB 4.2Å; A120-K147 WeakPolarHBondContact O-CE 3.03Å; A120-K147 PolarHBondContact O-NZ 3.39Å; A120-I148 HydrophobicContact CB-CD1 4.46Å
121K98.5Very high98.4Very high66 Ų6632.9 Ų32.929%0.28719%0.186SC..  trans-69.7144170.7-68.9166.2176162.80110.1D80 I81 D82 T123 C124 I148D80-K121 WeakPolarHBondContact O-CD 3.39Å; D80-K121 WeakPolarHBondContact O-CE 3.5Å; D80-K121 PolarHBondContact O-NZ 3.4Å; I81-K121 PolarHBondContact O-N 2.8Å; D82-K121 WeakPolarHBondContact OD1-CD 3.15Å; D82-K121 IonicContact OD1-NZ 3.01Å; D82-K121 PolarHBondContact OD1-NZ 2.84Å; D82-K121 IonicContact OD2-NZ 2.63Å; D82-K121 PolarHBondContact OD2-NZ 2.73Å; K121-T123 PolarHBondContact O-N 3.02Å; K121-T123 VanDerWaalsContact O-N 3.08Å; K121-C124 WeakPolarHBondContact O-CB 3.3Å; K121-C124 PolarHBondContact O-N 3.46Å; K121-I148 WeakPolarHBondContact O-CD1 3.48Å
122P98.2Very high98.4Very high75 Ų7531.3 Ų31.349%0.48717%0.174SC..THydrogen-bonded Turntrans-55.5-27.3174.9-25.934.9000114.2C124 K147P122-C124 VanDerWaalsContact C-N 3.31Å; P122-K147 HydrophobicContact CB-CG 4.44Å; P122-K147 HydrophobicContact CG-CG 4.13Å
123T97.6Very high98.3Very high87 Ų8730.8 Ų30.853%0.53417%0.172SC..THydrogen-bonded Turntrans-84.60.1178.754.70000114.1K121 R125K121-T123 PolarHBondContact O-N 3.02Å; K121-T123 VanDerWaalsContact O-N 3.08Å; T123-R125 PolarHBondContact O-N 3.06Å
124C98.6Very high98.3Very high0 Ų030.9 Ų30.90%017%0.172CC..  trans-57.2135.8-176.9-179.50000110.9D82 A120 K121 P122 I148 N152D82-C124 VanDerWaalsContact O-CA 3.29Å; D82-C124 WeakPolarHBondContact O-CA 3.33Å; A120-C124 HydrophobicContact CB-CB 4.2Å; K121-C124 WeakPolarHBondContact O-CB 3.3Å; K121-C124 PolarHBondContact O-N 3.46Å; P122-C124 VanDerWaalsContact C-N 3.31Å; C124-I148 HydrophobicContact CB-CD1 4.25Å; C124-N152 VanDerWaalsContact O-CB 3.31Å; C124-N152 WeakPolarHBondContact O-CB 3.31Å; C124-N152 PolarHBondContact O-ND2 3.32Å
125R98.7Very high98.3Very high25 Ų2528.8 Ų28.89%0.09416%0.155CC..EExtended strand (participates in β ladder)trans-107129.3173.3-74.9174.317767.89.7110.4D82 V83 A84 T123 M255 W258 R297D82-R125 PolarHBondContact O-N 2.92Å; V83-R125 CarbonylContact C-O 3.47Å; V83-R125 WeakPolarHBondContact CA-O 3.13Å; A84-R125 PolarHBondContact N-O 3.49Å; T123-R125 PolarHBondContact O-N 3.06Å; R125-M255 HydrophobicContact CB-CE 4.45Å; R125-M255 HydrophobicContact CB-SD 4.25Å; R125-W258 HydrophobicContact CB-CE3 4.41Å; R125-W258 HydrophobicContact CB-CH2 4.46Å; R125-W258 HydrophobicContact CB-CZ3 4.34Å; R125-W258 HydrophobicContact CG-CD2 4.39Å; R125-W258 HydrophobicContact CG-CZ2 4.14Å; R125-R297 VanDerWaalsContact NH2-CB 3.27Å; R125-R297 PolarHBondContact NH2-O 3.47Å
126V98.9Very high98.3Very high0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans-121.5126.7-170.9-174.70000109.7A84 L86 L116 V128 N152 I153 S154 W258A84-V126 HydrophobicContact CB-CB 4.48Å; A84-V126 HydrophobicContact CB-CG1 4.21Å; A84-V126 HydrophobicContact CB-CG2 4.15Å; A84-V126 WeakPolarHBondContact O-CA 3.12Å; L86-V126 HydrophobicContact CD1-CG1 3.61Å; L86-V126 HydrophobicContact CG-CG1 3.72Å; L116-V126 HydrophobicContact CD1-CG1 4.42Å; L116-V126 HydrophobicContact CD1-CG2 3.95Å; L116-V126 HydrophobicContact CD2-CG2 3.84Å; V126-V128 HydrophobicContact CG1-CG2 4.48Å; V126-N152 PolarHBondContact N-O 2.9Å; V126-I153 HydrophobicContact CB-CB 4.39Å; V126-I153 HydrophobicContact CB-CG1 3.93Å; V126-I153 HydrophobicContact CB-CG2 4.36Å; V126-I153 HydrophobicContact CG1-CG2 4.37Å; V126-I153 HydrophobicContact CG2-CG1 4.06Å; V126-S154 PolarHBondContact O-N 2.84Å; V126-S154 PolarHBondContact O-OG 3.5Å; V126-W258 WeakPolarHBondContact O-CZ3 3.18Å
127I98.9Very high98.3Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-109.6124.4166.9-173.3-177.6000109.6A84 F85 L86 V129 M156 A251 H254 M255A84-I127 PolarHBondContact O-N 3.47Å; F85-I127 HydrophobicContact CB-CG2 4.26Å; F85-I127 HydrophobicContact CD1-CG2 3.38Å; F85-I127 HydrophobicContact CD2-CG2 4.49Å; F85-I127 HydrophobicContact CE1-CG2 3.77Å; F85-I127 HydrophobicContact CG-CG2 3.8Å; F85-I127 HydrophobicContact CZ-CG2 4.47Å; L86-I127 PolarHBondContact N-O 3.03Å; I127-V129 HydrophobicContact CD1-CG2 4.26Å; I127-V129 HydrophobicContact CG1-CG2 4.26Å; I127-M156 HydrophobicContact CD1-CB 3.97Å; I127-M156 HydrophobicContact CD1-CG 4.1Å; I127-M156 HydrophobicContact CD1-SD 4.23Å; I127-M156 HydrophobicContact CG1-CB 4.21Å; I127-A251 HydrophobicContact CD1-CB 4.24Å; I127-H254 HydrophobicContact CD1-CB 3.64Å; I127-H254 VanDerWaalsContact CD1-CD2 3.44Å; I127-H254 WeakPolarHBondContact CD1-CD2 3.44Å; I127-H254 VanDerWaalsContact CD1-CG 3.45Å; I127-M255 HydrophobicContact CB-CE 3.84Å; I127-M255 HydrophobicContact CG2-CE 3.64Å
128V98.9Very high98.3Very high0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-93.1121.1171.8177.90000109.5L86 F109 V126 A133 N136 A137 I153 S154 A155 M156L86-V128 HydrophobicContact CB-CG2 4.28Å; L86-V128 HydrophobicContact CD1-CG2 4.12Å; F109-V128 HydrophobicContact CD1-CG1 4.44Å; F109-V128 HydrophobicContact CE1-CG1 3.66Å; F109-V128 HydrophobicContact CE1-CG2 4.15Å; F109-V128 HydrophobicContact CZ-CG1 4.03Å; V126-V128 HydrophobicContact CG1-CG2 4.48Å; V128-A133 HydrophobicContact CG1-CB 4.39Å; V128-A133 WeakPolarHBondContact CG1-O 3.1Å; V128-N136 HydrophobicContact CG1-CB 3.76Å; V128-A137 HydrophobicContact CB-CB 3.97Å; V128-A137 HydrophobicContact CG1-CB 4.49Å; V128-A137 HydrophobicContact CG2-CB 3.79Å; V128-I153 HydrophobicContact CG2-CG2 4.42Å; V128-S154 PolarHBondContact N-O 3.11Å; V128-A155 HydrophobicContact CB-CB 4.36Å; V128-A155 WeakPolarHBondContact O-CA 3.29Å; V128-M156 PolarHBondContact O-N 3.24Å
129V98.7Very high98.3Very high10 Ų1023.5 Ų23.56%0.06112%0.124CC..  trans-111.9-33.4178.5177.20000110.6I16 L86 V87 I127 N131 M156 A251I16-V129 HydrophobicContact CG2-CG1 4.46Å; L86-V129 PolarHBondContact O-N 2.93Å; V87-V129 HydrophobicContact CB-CB 4.48Å; V87-V129 HydrophobicContact CG1-CB 4.43Å; V87-V129 HydrophobicContact CG1-CG1 4.16Å; V87-V129 HydrophobicContact CG2-CB 4.28Å; V87-V129 HydrophobicContact CG2-CG2 4.49Å; I127-V129 HydrophobicContact CD1-CG2 4.26Å; I127-V129 HydrophobicContact CG1-CG2 4.26Å; V129-N131 PolarHBondContact O-N 3.08Å; V129-M156 HydrophobicContact CB-CE 4.48Å; V129-M156 HydrophobicContact CG1-CE 3.74Å; V129-M156 HydrophobicContact CG2-CB 4.33Å; V129-M156 HydrophobicContact CG2-CE 4.23Å; V129-M156 HydrophobicContact CG2-SD 4.08Å; V129-A251 HydrophobicContact CG2-CB 3.97Å
130G97.6Very high98.3Very high5 Ų520 Ų205%0.05211%0.111CC..SBendtrans-63.2128.9178.800000112.4L86 V87 A133 N136L86-G130 PolarHBondContact O-N 3.25Å; V87-G130 WeakPolarHBondContact O-CA 3.42Å; G130-A133 WeakPolarHBondContact O-CA 3.24Å; G130-N136 PolarHBondContact O-ND2 3.37Å
131N95.9Very high98.3Very high83 Ų8320.4 Ų20.444%0.44412%0.115SC..SBendtrans-78.4150.3-175.5-80.7-33.2000113.9N105 V129 A133 N136 H188N105-N131 PolarHBondContact ND2-O 2.85Å; V129-N131 PolarHBondContact O-N 3.08Å; N131-A133 PolarHBondContact OD1-N 2.91Å; N131-N136 PolarHBondContact O-ND2 2.92Å; N131-H188 PolarHBondContact OD1-CD2 3.36Å
132P96.5Very high98.2Very high20 Ų2022.6 Ų22.613%0.1312%0.124CC..SBendcis-73.7111.9-5.829-32.8000112.1L102 N134 T135 N136L102-P132 HydrophobicContact CD1-CG 3.72Å; P132-N134 PolarHBondContact O-N 3.17Å; P132-T135 PolarHBondContact O-N 2.83Å; P132-N136 VanDerWaalsContact O-CB 3.25Å; P132-N136 WeakPolarHBondContact O-CB 2.97Å; P132-N136 PolarHBondContact O-N 3.04Å; P132-N136 PolarHBondContact O-ND2 3.37Å
133A98.1Very high98.2Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-63.1-45.3-160.100000113.3V128 G130 N131 N136 A137 A155 H188V128-A133 HydrophobicContact CG1-CB 4.39Å; V128-A133 WeakPolarHBondContact CG1-O 3.1Å; G130-A133 WeakPolarHBondContact O-CA 3.24Å; N131-A133 PolarHBondContact OD1-N 2.91Å; A133-N136 PolarHBondContact O-N 2.78Å; A133-A137 WeakPolarHBondContact O-CB 3.35Å; A133-A137 PolarHBondContact O-N 3.36Å; A133-A155 VanDerWaalsContact C-CB 3.43Å; A133-A155 HydrophobicContact CB-CB 3.9Å; A133-A155 VanDerWaalsContact O-CB 3.3Å; A133-A155 WeakPolarHBondContact O-CB 3.49Å; A133-H188 HydrophobicContact CB-CB 4.38Å
134N98.7Very high98.3Very high1 Ų117.7 Ų17.71%0.0059%0.087CC..Hα-helixtrans-59-51.2178.4-68.754.7000111.8P132 A137 F138 G186 N187 H188 C271 V285 L322P132-N134 PolarHBondContact O-N 3.17Å; N134-A137 PolarHBondContact O-N 3.26Å; N134-F138 PolarHBondContact O-N 3.4Å; N134-G186 PolarHBondContact ND2-O 2.96Å; N134-N187 PolarHBondContact OD1-OD1 3.06Å; N134-H188 PolarHBondContact OD1-N 3.43Å; N134-C271 PolarHBondContact ND2-SG 3.37Å; N134-C271 PolarHBondContact OD1-SG 3.27Å; N134-C271 VanDerWaalsContact OD1-SG 3.33Å; N134-V285 HydrophobicContact CB-CG1 4.28Å; N134-V285 PolarHBondContact ND2-O 3.45Å; N134-L322 HydrophobicContact CB-CD2 3.42Å; N134-L322 VanDerWaalsContact CB-CD2 3.42Å
135T98.2Very high98.2Very high3 Ų320.3 Ų20.32%0.01811%0.108CC..Hα-helixtrans-68.3-38.7-177.9-56.20000111.4L102 P132 A137 F138 I139 E325 A329L102-T135 HydrophobicContact CD1-CG2 3.86Å; P132-T135 PolarHBondContact O-N 2.83Å; T135-A137 PolarHBondContact O-N 3.03Å; T135-F138 WeakPolarHBondContact O-CB 2.82Å; T135-F138 PolarHBondContact O-N 2.86Å; T135-I139 WeakPolarHBondContact O-CG1 3.4Å; T135-I139 PolarHBondContact O-N 2.88Å; T135-E325 HydrophobicContact CG2-CB 4.33Å; T135-E325 WeakPolarHBondContact OG1-CB 3.44Å; T135-E325 PolarHBondContact OG1-OE2 2.87Å; T135-A329 HydrophobicContact CG2-CB 3.51Å
136N98.4Very high98.2Very high0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-63-40.5173.4-74.5-14.1000112.3F109 V128 G130 N131 P132 A133 I139 C140F109-N136 HydrophobicContact CB-CB 4.4Å; F109-N136 HydrophobicContact CD1-CB 3.8Å; F109-N136 HydrophobicContact CD2-CB 3.56Å; F109-N136 WeakPolarHBondContact CD2-OD1 3.34Å; F109-N136 HydrophobicContact CE1-CB 3.89Å; F109-N136 HydrophobicContact CE2-CB 3.69Å; F109-N136 WeakPolarHBondContact CE2-ND2 3.36Å; F109-N136 HydrophobicContact CG-CB 3.63Å; F109-N136 HydrophobicContact CZ-CB 3.84Å; V128-N136 HydrophobicContact CG1-CB 3.76Å; G130-N136 PolarHBondContact O-ND2 3.37Å; N131-N136 PolarHBondContact O-ND2 2.92Å; P132-N136 VanDerWaalsContact O-CB 3.25Å; P132-N136 WeakPolarHBondContact O-CB 2.97Å; P132-N136 PolarHBondContact O-N 3.04Å; P132-N136 PolarHBondContact O-ND2 3.37Å; A133-N136 PolarHBondContact O-N 2.78Å; N136-I139 PolarHBondContact O-N 3.41Å; N136-C140 WeakPolarHBondContact O-CB 3.39Å; N136-C140 PolarHBondContact O-N 2.91Å
137A98.8Very high98.2Very high2 Ų228.7 Ų28.72%0.01716%0.159CC..Hα-helixtrans-64.4-40173.200000112.3V128 A133 N134 T135 C140 G141 I153 A155 V285V128-A137 HydrophobicContact CB-CB 3.97Å; V128-A137 HydrophobicContact CG1-CB 4.49Å; V128-A137 HydrophobicContact CG2-CB 3.79Å; A133-A137 WeakPolarHBondContact O-CB 3.35Å; A133-A137 PolarHBondContact O-N 3.36Å; N134-A137 PolarHBondContact O-N 3.26Å; T135-A137 PolarHBondContact O-N 3.03Å; A137-C140 PolarHBondContact O-N 3.28Å; A137-G141 PolarHBondContact O-N 3.46Å; A137-I153 HydrophobicContact CB-CG2 4.13Å; A137-A155 HydrophobicContact CB-CB 3.86Å; A137-V285 HydrophobicContact CB-CG1 4.14Å
138F98.5Very high98.1Very high43 Ų4328.7 Ų28.719%0.18916%0.159CC..Hα-helixtrans-59.9-49.5174.1169.5-98.4000111.7N134 T135 G141 K142 V285 R326 L330N134-F138 PolarHBondContact O-N 3.4Å; T135-F138 WeakPolarHBondContact O-CB 2.82Å; T135-F138 PolarHBondContact O-N 2.86Å; F138-G141 PolarHBondContact O-N 3.43Å; F138-K142 PolarHBondContact O-N 3.45Å; F138-V285 HydrophobicContact CB-CB 4.47Å; F138-V285 HydrophobicContact CB-CG2 3.85Å; F138-R326 HydrophobicContact CD1-CG 3.86Å; F138-R326 HydrophobicContact CE1-CG 3.52Å; F138-R326 HydrophobicContact CE2-CG 4.24Å; F138-R326 HydrophobicContact CG-CG 4.36Å; F138-R326 HydrophobicContact CZ-CG 3.73Å; F138-L330 HydrophobicContact CE1-CD1 4.26Å; F138-L330 HydrophobicContact CE1-CD2 3.81Å; F138-L330 HydrophobicContact CE1-CG 3.94Å; F138-L330 HydrophobicContact CZ-CD1 4.26Å; F138-L330 HydrophobicContact CZ-CD2 4.12Å; F138-L330 HydrophobicContact CZ-CG 4.37Å
139I98.5Very high98.1Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-62.6-46.3177.9-64.4-58.4000110.9V106 F109 K110 T135 N136 G141 K142 Y143 A329V106-I139 HydrophobicContact CG1-CG2 4.35Å; V106-I139 HydrophobicContact CG2-CG1 4.23Å; F109-I139 HydrophobicContact CB-CB 4.42Å; F109-I139 HydrophobicContact CB-CG2 4.2Å; K110-I139 HydrophobicContact CB-CG2 4.21Å; T135-I139 WeakPolarHBondContact O-CG1 3.4Å; T135-I139 PolarHBondContact O-N 2.88Å; N136-I139 PolarHBondContact O-N 3.41Å; I139-G141 VanDerWaalsContact C-N 3.34Å; I139-G141 PolarHBondContact O-N 3.27Å; I139-K142 WeakPolarHBondContact O-CB 3.43Å; I139-K142 PolarHBondContact O-N 3.15Å; I139-Y143 HydrophobicContact CG2-CD2 4.13Å; I139-Y143 HydrophobicContact CG2-CE2 4.23Å; I139-Y143 WeakPolarHBondContact O-CD2 3.45Å; I139-Y143 PolarHBondContact O-N 3.49Å; I139-A329 HydrophobicContact CD1-CB 3.91Å; I139-A329 HydrophobicContact CG1-CB 4.14Å
140C98.6Very high98Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-56.8-47.9176.9-1720000111.5F109 G113 L116 N136 A137 K142 Y143 A144F109-C140 HydrophobicContact CB-CB 4.38Å; F109-C140 HydrophobicContact CD1-CB 4.2Å; F109-C140 WeakPolarHBondContact O-CA 3.45Å; G113-C140 WeakPolarHBondContact CA-O 3.35Å; L116-C140 WeakPolarHBondContact CD1-SG 3.42Å; N136-C140 WeakPolarHBondContact O-CB 3.39Å; N136-C140 PolarHBondContact O-N 2.91Å; A137-C140 PolarHBondContact O-N 3.28Å; C140-K142 PolarHBondContact O-N 3.43Å; C140-Y143 PolarHBondContact O-N 3.07Å; C140-A144 VanDerWaalsContact O-CB 3.3Å; C140-A144 WeakPolarHBondContact O-CB 3.41Å; C140-A144 PolarHBondContact O-N 3.11Å
141G98.4Very high98Very high9 Ų937.6 Ų37.69%0.09321%0.208CC..Hα-helixtrans-63.3-37177.700000114.1A137 F138 I139 Y143 A144 A145 I153A137-G141 PolarHBondContact O-N 3.46Å; F138-G141 PolarHBondContact O-N 3.43Å; I139-G141 VanDerWaalsContact C-N 3.34Å; I139-G141 PolarHBondContact O-N 3.27Å; G141-Y143 VanDerWaalsContact C-N 3.28Å; G141-Y143 PolarHBondContact O-N 3.17Å; G141-A144 PolarHBondContact O-N 2.85Å; G141-A145 PolarHBondContact O-N 3.38Å; G141-I153 VanDerWaalsContact CA-CD1 3.41Å
142K97.9Very high98.1Very high111 Ų11134.3 Ų34.348%0.48319%0.19SC..Hα-helixtrans-58.3-40.7175-177.5-176.1175.773.90112F138 I139 C140 L330F138-K142 PolarHBondContact O-N 3.45Å; I139-K142 WeakPolarHBondContact O-CB 3.43Å; I139-K142 PolarHBondContact O-N 3.15Å; C140-K142 PolarHBondContact O-N 3.43Å; K142-L330 HydrophobicContact CD-CD2 4.06Å
143Y98.4Very high98.3Very high60 Ų6033.5 Ų33.524%0.23519%0.185CC..Hα-helixtrans-93.5-14.2-176.8-71.6-78.3000114.3K110 G113 I139 C140 G141 C333K110-Y143 HydrophobicContact CB-CD2 3.83Å; K110-Y143 HydrophobicContact CB-CE2 3.83Å; K110-Y143 HydrophobicContact CB-CG 4.4Å; K110-Y143 HydrophobicContact CD-CD2 4.42Å; K110-Y143 HydrophobicContact CD-CE1 3.99Å; K110-Y143 HydrophobicContact CD-CE2 3.76Å; K110-Y143 WeakPolarHBondContact CE-OH 3.42Å; K110-Y143 HydrophobicContact CG-CD1 3.99Å; K110-Y143 HydrophobicContact CG-CD2 3.69Å; K110-Y143 HydrophobicContact CG-CE1 3.85Å; K110-Y143 HydrophobicContact CG-CE2 3.53Å; K110-Y143 HydrophobicContact CG-CG 3.92Å; G113-Y143 CarbonylContact C-O 3.58Å; G113-Y143 CarbonylContact O-C 3.57Å; I139-Y143 HydrophobicContact CG2-CD2 4.13Å; I139-Y143 HydrophobicContact CG2-CE2 4.23Å; I139-Y143 WeakPolarHBondContact O-CD2 3.45Å; I139-Y143 PolarHBondContact O-N 3.49Å; C140-Y143 PolarHBondContact O-N 3.07Å; G141-Y143 VanDerWaalsContact C-N 3.28Å; G141-Y143 PolarHBondContact O-N 3.17Å; Y143-C333 WeakPolarHBondContact OH-CB 3.22Å
144A98.6Very high98.3Very high0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-84.1-18.3172.900000113.3G113 L116 C140 G141 K147 I148 I153G113-A144 VanDerWaalsContact O-CA 3.22Å; G113-A144 WeakPolarHBondContact O-CA 3.43Å; G113-A144 PolarHBondContact O-N 3.45Å; L116-A144 HydrophobicContact CB-CB 3.96Å; L116-A144 HydrophobicContact CD1-CB 4.26Å; C140-A144 VanDerWaalsContact O-CB 3.3Å; C140-A144 WeakPolarHBondContact O-CB 3.41Å; C140-A144 PolarHBondContact O-N 3.11Å; G141-A144 PolarHBondContact O-N 2.85Å; A144-K147 PolarHBondContact O-N 3.07Å; A144-I148 HydrophobicContact CB-CB 3.87Å; A144-I148 HydrophobicContact CB-CG1 4.12Å; A144-I148 PolarHBondContact O-N 3.47Å; A144-I153 HydrophobicContact CB-CD1 3.79Å
145A97.9Very high98.3Very high54 Ų5433.4 Ų33.445%0.44618%0.184SC..THydrogen-bonded Turntrans-68.8150.1177.200000112.4G141G141-A145 PolarHBondContact O-N 3.38Å
146P97.7Very high98.3Very high130 Ų13033.5 Ų33.584%0.84418%0.184SC*.THydrogen-bonded Turncis-86.3-7.3-2.235.2-35.8000113.7I148P146-I148 PolarHBondContact O-N 2.93Å
147K98.3Very high98.4Very high72 Ų7233.5 Ų33.531%0.31318%0.184SC..THydrogen-bonded Turntrans-63.7-42.9-171.2-173.2-175.2-179.3-172.20112.5A117 Q118 A120 P122 A144A117-K147 WeakPolarHBondContact O-CD 3.09Å; A117-K147 PolarHBondContact O-NZ 2.92Å; A117-K147 VanDerWaalsContact O-NZ 3.17Å; Q118-K147 PolarHBondContact O-NZ 3.41Å; Q118-K147 VanDerWaalsContact O-NZ 3.09Å; A120-K147 WeakPolarHBondContact O-CE 3.03Å; A120-K147 PolarHBondContact O-NZ 3.39Å; P122-K147 HydrophobicContact CB-CG 4.44Å; P122-K147 HydrophobicContact CG-CG 4.13Å; A144-K147 PolarHBondContact O-N 3.07Å
148I98.5Very high98.4Very high0 Ų034.4 Ų34.40%019%0.188CC..SBendtrans-99.6115.2171.7-50.5-52.4000108L116 A120 K121 C124 A144 P146 N152 I153L116-I148 HydrophobicContact CB-CG1 4.06Å; A120-I148 HydrophobicContact CB-CD1 4.46Å; K121-I148 WeakPolarHBondContact O-CD1 3.48Å; C124-I148 HydrophobicContact CB-CD1 4.25Å; A144-I148 HydrophobicContact CB-CB 3.87Å; A144-I148 HydrophobicContact CB-CG1 4.12Å; A144-I148 PolarHBondContact O-N 3.47Å; P146-I148 PolarHBondContact O-N 2.93Å; I148-N152 HydrophobicContact CG2-CB 3.91Å; I148-I153 HydrophobicContact CB-CD1 4.49Å; I148-I153 HydrophobicContact CG2-CD1 3.93Å; I148-I153 HydrophobicContact CG2-CG1 4.01Å
149P97.6Very high98.4Very high56 Ų5632.9 Ų32.936%0.36418%0.181SC..  trans-58.6139.8174.6-25.435.8000110.9R151 N152P149-R151 HydrophobicContact CB-CG 3.9Å; P149-R151 PolarHBondContact O-N 3.19Å; P149-N152 WeakPolarHBondContact O-CB 3.36Å; P149-N152 PolarHBondContact O-N 3.14Å
150A97.4Very high98.4Very high52 Ų5233 Ų3343%0.4318%0.182SC..G310 helixtrans-54.7-32.5179.400000112.8N152 I153 P273A150-N152 PolarHBondContact O-N 3Å; A150-I153 PolarHBondContact O-N 3.45Å; A150-I153 VanDerWaalsContact O-O 3.13Å; A150-P273 HydrophobicContact CB-CG 4.04Å; A150-P273 WeakPolarHBondContact O-CG 3.43Å
151R97.6Very high98.4Very high94 Ų9433.2 Ų33.236%0.35518%0.183SC..G310 helixtrans-64.4-17.717668.7-165.1-58.7-101.7-12.6114.7P149 I153 W258 E298 W299P149-R151 HydrophobicContact CB-CG 3.9Å; P149-R151 PolarHBondContact O-N 3.19Å; R151-I153 VanDerWaalsContact C-N 3.26Å; R151-W258 WeakPolarHBondContact O-CZ2 3.46Å; R151-E298 IonicContact CZ-OE1 3.7Å; R151-E298 IonicContact CZ-OE2 3.13Å; R151-E298 IonicContact NH1-OE1 3.92Å; R151-E298 PolarHBondContact NH1-OE1 2.93Å; R151-E298 IonicContact NH1-OE2 2.7Å; R151-E298 PolarHBondContact NH1-OE2 2.83Å; R151-E298 VanDerWaalsContact NH2-CD 3.27Å; R151-E298 IonicContact NH2-OE1 3.7Å; R151-E298 IonicContact NH2-OE2 2.89Å; R151-E298 PolarHBondContact NH2-OE2 2.95Å; R151-W299 HydrophobicContact CB-CZ2 3.67Å; R151-W299 PolarHBondContact O-NE1 3.15Å
152N98.6Very high98.4Very high13 Ų1334.2 Ų34.27%0.0719%0.186CC..G310 helixtrans-86.42.3174.7-71.817.9000112.7C124 V126 I148 P149 A150 W258C124-N152 VanDerWaalsContact O-CB 3.31Å; C124-N152 WeakPolarHBondContact O-CB 3.31Å; C124-N152 PolarHBondContact O-ND2 3.32Å; V126-N152 PolarHBondContact N-O 2.9Å; I148-N152 HydrophobicContact CG2-CB 3.91Å; P149-N152 WeakPolarHBondContact O-CB 3.36Å; P149-N152 PolarHBondContact O-N 3.14Å; A150-N152 PolarHBondContact O-N 3Å; N152-W258 VanDerWaalsContact C-CH2 3.46Å; N152-W258 VanDerWaalsContact O-CH2 3.31Å; N152-W258 WeakPolarHBondContact O-CH2 3.38Å
153I98.8Very high98.5Very high3 Ų330.3 Ų30.32%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-122120.3178.7-59164.9000108V126 V128 A137 G141 A144 I148 A150 R151V126-I153 HydrophobicContact CB-CB 4.39Å; V126-I153 HydrophobicContact CB-CG1 3.93Å; V126-I153 HydrophobicContact CB-CG2 4.36Å; V126-I153 HydrophobicContact CG1-CG2 4.37Å; V126-I153 HydrophobicContact CG2-CG1 4.06Å; V128-I153 HydrophobicContact CG2-CG2 4.42Å; A137-I153 HydrophobicContact CB-CG2 4.13Å; G141-I153 VanDerWaalsContact CA-CD1 3.41Å; A144-I153 HydrophobicContact CB-CD1 3.79Å; I148-I153 HydrophobicContact CB-CD1 4.49Å; I148-I153 HydrophobicContact CG2-CD1 3.93Å; I148-I153 HydrophobicContact CG2-CG1 4.01Å; A150-I153 PolarHBondContact O-N 3.45Å; A150-I153 VanDerWaalsContact O-O 3.13Å; R151-I153 VanDerWaalsContact C-N 3.26Å
154S98.9Very high98.5Very high0 Ų027.5 Ų27.50%016%0.157CC..EExtended strand (participates in β ladder)trans-125.3163.5-179.567.80000110.8V126 V128 H254 W258 C271V126-S154 PolarHBondContact O-N 2.84Å; V126-S154 PolarHBondContact O-OG 3.5Å; V128-S154 PolarHBondContact N-O 3.11Å; S154-H254 PolarHBondContact OG-NE2 3.33Å; S154-W258 WeakPolarHBondContact OG-CZ3 3.19Å; S154-C271 CarbonylContact C-O 3.51Å; S154-C271 WeakPolarHBondContact CA-O 3.36Å; S154-C271 VanDerWaalsContact CB-O 3.29Å; S154-C271 WeakPolarHBondContact CB-O 3.35Å
155A98.9Very high98.5Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-116.8158.6167.200000111.6V128 A133 A137 C271 V285V128-A155 HydrophobicContact CB-CB 4.36Å; V128-A155 WeakPolarHBondContact O-CA 3.29Å; A133-A155 VanDerWaalsContact C-CB 3.43Å; A133-A155 HydrophobicContact CB-CB 3.9Å; A133-A155 VanDerWaalsContact O-CB 3.3Å; A133-A155 WeakPolarHBondContact O-CB 3.49Å; A137-A155 HydrophobicContact CB-CB 3.86Å; A155-C271 HydrophobicContact CB-CB 3.6Å; A155-C271 PolarHBondContact N-O 3.34Å; A155-C271 VanDerWaalsContact O-CB 3.3Å; A155-C271 WeakPolarHBondContact O-CB 3.43Å; A155-C271 PolarHBondContact O-N 2.92Å; A155-C271 VanDerWaalsContact O-N 3.09Å; A155-V285 HydrophobicContact CB-CG1 4.36Å
156M98.8Very high98.5Very high4 Ų428.2 Ų28.22%0.0216%0.157CC..  trans-95.8107.4-168.9-170.8-178.270.500114I127 V128 V129 R158 L159 A250 A251I127-M156 HydrophobicContact CD1-CB 3.97Å; I127-M156 HydrophobicContact CD1-CG 4.1Å; I127-M156 HydrophobicContact CD1-SD 4.23Å; I127-M156 HydrophobicContact CG1-CB 4.21Å; V128-M156 PolarHBondContact O-N 3.24Å; V129-M156 HydrophobicContact CB-CE 4.48Å; V129-M156 HydrophobicContact CG1-CE 3.74Å; V129-M156 HydrophobicContact CG2-CB 4.33Å; V129-M156 HydrophobicContact CG2-CE 4.23Å; V129-M156 HydrophobicContact CG2-SD 4.08Å; M156-R158 HydrophobicContact CG-CB 4.1Å; M156-L159 HydrophobicContact CE-CB 4.38Å; M156-A250 HydrophobicContact SD-CB 3.98Å; M156-A251 WeakPolarHBondContact SD-CA 3.46Å; M156-A251 HydrophobicContact SD-CB 3.58Å; M156-A251 VanDerWaalsContact SD-CB 3.58Å; M156-A251 PolarHBondContact SD-N 3.43Å
157T98.9Very high98.5Very high0 Ų023.1 Ų23.10%012%0.122CC..  trans-106.37.2159.743.20000113L159 D160 H161 I184 H188 C271 S287T157-L159 PolarHBondContact O-N 3.13Å; T157-D160 WeakPolarHBondContact O-CB 3.49Å; T157-D160 PolarHBondContact O-N 3.48Å; T157-H161 PolarHBondContact O-N 3.46Å; T157-I184 HydrophobicContact CG2-CG2 4.04Å; T157-H188 HydrophobicContact CG2-CB 3.97Å; T157-C271 WeakPolarHBondContact CG2-SG 3.27Å; T157-S287 WeakPolarHBondContact CB-OG 3.47Å; T157-S287 PolarHBondContact OG1-OG 2.91Å
158R98.9Very high98.6Very high22 Ų2219.7 Ų19.78%0.08311%0.107CC..Hα-helixtrans-62.1-27.9179.7-173.358.6173.1-84.3-4.6112.7M156 N162 A250 D253 H254 T257M156-R158 HydrophobicContact CG-CB 4.1Å; R158-N162 PolarHBondContact NE-OD1 3.1Å; R158-N162 WeakPolarHBondContact O-CB 3.23Å; R158-N162 PolarHBondContact O-N 3.18Å; R158-N162 PolarHBondContact O-ND2 2.94Å; R158-N162 PolarHBondContact O-OD1 3.22Å; R158-A250 HydrophobicContact CB-CB 4.28Å; R158-A250 HydrophobicContact CG-CB 4.3Å; R158-A250 VanDerWaalsContact CG-O 3.3Å; R158-A250 WeakPolarHBondContact CG-O 3.39Å; R158-D253 HydrophobicContact CG-CB 4.03Å; R158-D253 IonicContact CZ-OD2 2.92Å; R158-D253 IonicContact NE-OD2 2.77Å; R158-D253 PolarHBondContact NH1-O 3.24Å; R158-D253 IonicContact NH2-OD2 2.66Å; R158-D253 PolarHBondContact NH2-OD2 3.06Å; R158-D253 VanDerWaalsContact NH2-OD2 3.15Å; R158-H254 HydrophobicContact CB-CB 3.91Å; R158-H254 HydrophobicContact CG-CB 4.12Å; R158-T257 PolarHBondContact NH1-OG1 2.97Å; R158-T257 PolarHBondContact NH2-OG1 3.29Å
159L98.8Very high98.6Very high11 Ų1119.9 Ų19.96%0.05811%0.109CC..Hα-helixtrans-67.1-43.6174.6177.456.3000110.8M156 T157 N162 R163 A247 A250M156-L159 HydrophobicContact CE-CB 4.38Å; T157-L159 PolarHBondContact O-N 3.13Å; L159-N162 PolarHBondContact O-N 3.48Å; L159-R163 HydrophobicContact CD1-CG 4.43Å; L159-R163 VanDerWaalsContact O-CG 3.24Å; L159-R163 WeakPolarHBondContact O-CG 3.45Å; L159-R163 PolarHBondContact O-N 3.46Å; L159-A247 HydrophobicContact CD2-CB 4.03Å; L159-A250 VanDerWaalsContact CA-CB 3.48Å; L159-A250 HydrophobicContact CB-CB 3.66Å; L159-A250 HydrophobicContact CD1-CB 4.26Å
160D98.9Very high98.6Very high1 Ų124.2 Ų24.21%0.00512%0.124CC..Hα-helixtrans-66.1-42.4177.4-55.9-50.9000111.4T157 N162 R163 A164 I184 H188 Q192 V228T157-D160 WeakPolarHBondContact O-CB 3.49Å; T157-D160 PolarHBondContact O-N 3.48Å; D160-N162 VanDerWaalsContact C-N 3.34Å; D160-N162 PolarHBondContact O-N 3.42Å; D160-R163 WeakPolarHBondContact O-CB 3.38Å; D160-R163 PolarHBondContact O-N 2.89Å; D160-R163 VanDerWaalsContact O-N 3.17Å; D160-R163 IonicContact OD1-NH1 2.99Å; D160-R163 PolarHBondContact OD1-NH1 3.4Å; D160-A164 WeakPolarHBondContact O-CB 3.27Å; D160-A164 PolarHBondContact O-N 2.93Å; D160-I184 HydrophobicContact CB-CD1 3.99Å; D160-I184 HydrophobicContact CB-CG1 3.89Å; D160-I184 HydrophobicContact CB-CG2 4.17Å; D160-H188 IonicContact OD1-CE1 2.84Å; D160-H188 IonicContact OD1-ND1 3.15Å; D160-H188 IonicContact OD2-CE1 3.91Å; D160-H188 PolarHBondContact OD2-CE1 2.95Å; D160-H188 VanDerWaalsContact OD2-CE1 3.25Å; D160-H188 IonicContact OD2-CG 3.71Å; D160-H188 IonicContact OD2-ND1 2.73Å; D160-H188 PolarHBondContact OD2-ND1 2.93Å; D160-Q192 VanDerWaalsContact CG-NE2 3.29Å; D160-Q192 PolarHBondContact OD1-NE2 3.14Å; D160-Q192 PolarHBondContact OD1-OE1 3.44Å; D160-V228 HydrophobicContact CB-CG1 4.4Å
161H98.8Very high98.6Very high6 Ų626.9 Ų26.93%0.02812%0.123CC..Hα-helixtrans-56.3-48.5172.8179.6101.9000111.2T157 R163 A164 L165 V182 I184 S269T157-H161 PolarHBondContact O-N 3.46Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 3.43Å; H161-A164 WeakPolarHBondContact O-CB 3.37Å; H161-A164 PolarHBondContact O-N 3.15Å; H161-L165 WeakPolarHBondContact NE2-CD1 3.34Å; H161-L165 WeakPolarHBondContact O-CG 3.45Å; H161-L165 PolarHBondContact O-N 3.16Å; H161-V182 VanDerWaalsContact CE1-CG2 3.46Å; H161-V182 WeakPolarHBondContact CE1-CG2 3.48Å; H161-V182 PolarHBondContact CE1-O 2.95Å; H161-V182 PolarHBondContact ND1-O 3.39Å; H161-V182 VanDerWaalsContact ND1-O 3.14Å; H161-I184 HydrophobicContact CB-CG1 3.95Å; H161-S269 PolarHBondContact ND1-N 3.32Å; H161-S269 PolarHBondContact ND1-OG 3.46Å
162N98.8Very high98.7Very high29 Ų2922.6 Ų22.616%0.15511%0.108CC..Hα-helixtrans-65.4-34.8178.6-70.4-9000112.3R158 L159 D160 S166 K249 D253R158-N162 PolarHBondContact NE-OD1 3.1Å; R158-N162 WeakPolarHBondContact O-CB 3.23Å; R158-N162 PolarHBondContact O-N 3.18Å; R158-N162 PolarHBondContact O-ND2 2.94Å; R158-N162 PolarHBondContact O-OD1 3.22Å; L159-N162 PolarHBondContact O-N 3.48Å; D160-N162 VanDerWaalsContact C-N 3.34Å; D160-N162 PolarHBondContact O-N 3.42Å; N162-S166 WeakPolarHBondContact O-CB 3.32Å; N162-S166 PolarHBondContact O-N 2.94Å; N162-S166 VanDerWaalsContact O-N 3.09Å; N162-K249 WeakPolarHBondContact ND2-CE 3.31Å; N162-D253 PolarHBondContact ND2-OD2 3.46Å
163R98.7Very high98.6Very high29 Ų2925.2 Ų25.211%0.10914%0.138CC..Hα-helixtrans-64.6-45.7173-73.5164.1169.6169.6-0.7111L159 D160 H161 S166 M167 V228 R231 S243L159-R163 HydrophobicContact CD1-CG 4.43Å; L159-R163 VanDerWaalsContact O-CG 3.24Å; L159-R163 WeakPolarHBondContact O-CG 3.45Å; L159-R163 PolarHBondContact O-N 3.46Å; D160-R163 WeakPolarHBondContact O-CB 3.38Å; D160-R163 PolarHBondContact O-N 2.89Å; D160-R163 VanDerWaalsContact O-N 3.17Å; D160-R163 IonicContact OD1-NH1 2.99Å; D160-R163 PolarHBondContact OD1-NH1 3.4Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 3.43Å; R163-S166 PolarHBondContact O-N 2.8Å; R163-M167 VanDerWaalsContact O-CG 3.3Å; R163-M167 WeakPolarHBondContact O-CG 3.27Å; R163-M167 PolarHBondContact O-N 3.35Å; R163-V228 HydrophobicContact CB-CG1 4.46Å; R163-R231 HydrophobicContact CG-CB 4.47Å; R163-R231 HydrophobicContact CG-CG 3.97Å; R163-S243 PolarHBondContact NH2-OG 3.21Å
164A98.8Very high98.6Very high1 Ų126.1 Ų26.11%0.00814%0.143CC..Hα-helixtrans-60-50.7176.500000111.5D160 H161 S166 M167 I168 V182 I184 F224 V228D160-A164 WeakPolarHBondContact O-CB 3.27Å; D160-A164 PolarHBondContact O-N 2.93Å; H161-A164 WeakPolarHBondContact O-CB 3.37Å; H161-A164 PolarHBondContact O-N 3.15Å; A164-S166 VanDerWaalsContact C-N 3.29Å; A164-S166 PolarHBondContact O-N 2.91Å; A164-M167 PolarHBondContact O-N 2.79Å; A164-M167 VanDerWaalsContact O-N 3.14Å; A164-I168 WeakPolarHBondContact O-CG1 3.08Å; A164-I168 PolarHBondContact O-N 3Å; A164-V182 HydrophobicContact CB-CB 4.4Å; A164-V182 HydrophobicContact CB-CG2 4.14Å; A164-I184 HydrophobicContact CB-CD1 4.18Å; A164-F224 HydrophobicContact CB-CE2 4.27Å; A164-F224 HydrophobicContact CB-CZ 3.9Å; A164-V228 HydrophobicContact CB-CG2 4.24Å
165L98.7Very high98.6Very high23 Ų2329.8 Ų29.812%0.1217%0.167CC..Hα-helixtrans-50.8-49.6174.5-74.7178000111.6H161 M167 I168 A169 V176 V179 V182H161-L165 WeakPolarHBondContact NE2-CD1 3.34Å; H161-L165 WeakPolarHBondContact O-CG 3.45Å; H161-L165 PolarHBondContact O-N 3.16Å; L165-M167 PolarHBondContact O-N 2.93Å; L165-I168 PolarHBondContact O-N 3.19Å; L165-A169 VanDerWaalsContact O-CB 3.31Å; L165-A169 WeakPolarHBondContact O-CB 3.19Å; L165-A169 PolarHBondContact O-N 3.11Å; L165-V176 HydrophobicContact CB-CG2 3.94Å; L165-V179 HydrophobicContact CD2-CB 4.01Å; L165-V179 HydrophobicContact CD2-CG1 3.73Å; L165-V179 WeakPolarHBondContact CD2-O 3.49Å; L165-V182 HydrophobicContact CD2-CB 4.3Å; L165-V182 HydrophobicContact CD2-CG1 3.8Å; L165-V182 HydrophobicContact CD2-CG2 3.56Å; L165-V182 HydrophobicContact CG-CG2 3.61Å
166S98.6Very high98.6Very high46 Ų4633.4 Ų33.432%0.32219%0.189SC..Hα-helixtrans-62.5-43.6-179.4-176.20000112.2N162 R163 A164 A169 H170N162-S166 WeakPolarHBondContact O-CB 3.32Å; N162-S166 PolarHBondContact O-N 2.94Å; N162-S166 VanDerWaalsContact O-N 3.09Å; R163-S166 PolarHBondContact O-N 2.8Å; A164-S166 VanDerWaalsContact C-N 3.29Å; A164-S166 PolarHBondContact O-N 2.91Å; S166-A169 PolarHBondContact O-N 2.98Å; S166-H170 PolarHBondContact O-N 2.98Å; S166-H170 PolarHBondContact O-ND1 3Å; S166-H170 PolarHBondContact OG-CE1 3.27Å; S166-H170 PolarHBondContact OG-ND1 3.38Å
167M98.4Very high98.5Very high23 Ų2339 Ų3911%0.11322%0.224CC..Hα-helixtrans-65.4-41.9-179.5-71.5174.5-173.200112.1R163 A164 L165 H170 R171 F224 L227 V228 R231R163-M167 VanDerWaalsContact O-CG 3.3Å; R163-M167 WeakPolarHBondContact O-CG 3.27Å; R163-M167 PolarHBondContact O-N 3.35Å; A164-M167 PolarHBondContact O-N 2.79Å; A164-M167 VanDerWaalsContact O-N 3.14Å; L165-M167 PolarHBondContact O-N 2.93Å; M167-H170 PolarHBondContact O-N 3.22Å; M167-R171 WeakPolarHBondContact O-CB 3.28Å; M167-R171 PolarHBondContact O-N 2.92Å; M167-F224 HydrophobicContact CB-CD2 4.26Å; M167-F224 HydrophobicContact CB-CE2 4.1Å; M167-L227 HydrophobicContact CE-CB 3.99Å; M167-L227 HydrophobicContact SD-CB 3.75Å; M167-V228 HydrophobicContact CE-CG2 4.3Å; M167-V228 HydrophobicContact SD-CB 4.4Å; M167-V228 HydrophobicContact SD-CG2 3.44Å; M167-V228 WeakPolarHBondContact SD-CG2 3.47Å; M167-R231 HydrophobicContact CE-CB 4.2Å; M167-R231 HydrophobicContact CE-CG 4.05Å
168I98.7Very high98.5Very high0 Ų041.3 Ų41.30%024%0.236CC..Hα-helixtrans-65.6-42.6175.3-61-53000111.1A164 L165 H170 R171 C172 V179 I196 V201 V214 W219 F224A164-I168 WeakPolarHBondContact O-CG1 3.08Å; A164-I168 PolarHBondContact O-N 3Å; L165-I168 PolarHBondContact O-N 3.19Å; I168-H170 PolarHBondContact O-N 3.47Å; I168-R171 PolarHBondContact O-N 2.99Å; I168-C172 WeakPolarHBondContact O-CB 3.48Å; I168-C172 PolarHBondContact O-N 3.48Å; I168-C172 PolarHBondContact O-SG 3.43Å; I168-C172 VanDerWaalsContact O-SG 3.4Å; I168-V179 HydrophobicContact CB-CG1 4.05Å; I168-V179 HydrophobicContact CG2-CG1 3.78Å; I168-V179 HydrophobicContact CG2-CG2 4.11Å; I168-I196 HydrophobicContact CD1-CD1 3.58Å; I168-I196 HydrophobicContact CD1-CG2 3.94Å; I168-I196 HydrophobicContact CG1-CD1 4.45Å; I168-I196 HydrophobicContact CG1-CG2 3.87Å; I168-V201 HydrophobicContact CG2-CG2 3.86Å; I168-V214 HydrophobicContact CD1-CG2 4.18Å; I168-V214 HydrophobicContact CG2-CG2 4.49Å; I168-W219 HydrophobicContact CD1-CH2 4.01Å; I168-W219 HydrophobicContact CD1-CZ3 3.82Å; I168-F224 HydrophobicContact CD1-CD2 3.94Å; I168-F224 HydrophobicContact CD1-CE2 3.65Å; I168-F224 HydrophobicContact CD1-CZ 3.99Å; I168-F224 HydrophobicContact CG1-CE2 3.96Å; I168-F224 HydrophobicContact CG1-CZ 4.19Å
169A98.6Very high98.5Very high4 Ų440.7 Ų40.73%0.03323%0.234CC..Hα-helixtrans-58.5-47.9177.400000111.6L165 S166 C172 G173 V174 V176 V179L165-A169 VanDerWaalsContact O-CB 3.31Å; L165-A169 WeakPolarHBondContact O-CB 3.19Å; L165-A169 PolarHBondContact O-N 3.11Å; S166-A169 PolarHBondContact O-N 2.98Å; A169-C172 PolarHBondContact O-N 3.05Å; A169-G173 PolarHBondContact O-N 3.36Å; A169-V174 CarbonylContact C-O 3.6Å; A169-V174 HydrophobicContact CB-CG2 4.47Å; A169-V174 WeakPolarHBondContact CB-O 3.42Å; A169-V174 PolarHBondContact O-N 3Å; A169-V176 HydrophobicContact CB-CB 4.17Å; A169-V176 HydrophobicContact CB-CG2 4.36Å; A169-V179 HydrophobicContact CB-CG2 3.81Å
170H98.3Very high98.4Very high148 Ų14842.8 Ų42.869%0.68524%0.243SC*.Hα-helixtrans-62.8-45.5175.9-75.388.9000112S166 M167 I168 C172 G173S166-H170 PolarHBondContact O-N 2.98Å; S166-H170 PolarHBondContact O-ND1 3Å; S166-H170 PolarHBondContact OG-CE1 3.27Å; S166-H170 PolarHBondContact OG-ND1 3.38Å; M167-H170 PolarHBondContact O-N 3.22Å; I168-H170 PolarHBondContact O-N 3.47Å; H170-C172 VanDerWaalsContact C-N 3.3Å; H170-C172 PolarHBondContact O-N 3.24Å; H170-G173 PolarHBondContact O-N 2.94Å
171R98.2Very high98.4Very high108 Ų10843.2 Ų43.241%0.40825%0.245SC..Hα-helixtrans-60.8-39.8179.8-176.563.4177.1-161.8-3.2112M167 I168 V214 D216 W219M167-R171 WeakPolarHBondContact O-CB 3.28Å; M167-R171 PolarHBondContact O-N 2.92Å; I168-R171 PolarHBondContact O-N 2.99Å; R171-V214 HydrophobicContact CG-CG1 4.05Å; R171-V214 HydrophobicContact CG-CG2 4.23Å; R171-D216 IonicContact NH2-OD2 3.74Å; R171-D216 PolarHBondContact NH2-OD2 3.44Å; R171-W219 HydrophobicContact CB-CH2 3.9Å; R171-W219 HydrophobicContact CB-CZ2 4.26Å; R171-W219 HydrophobicContact CB-CZ3 4.38Å; R171-W219 HydrophobicContact CG-CE3 4.3Å; R171-W219 HydrophobicContact CG-CH2 3.87Å; R171-W219 HydrophobicContact CG-CZ2 4.15Å; R171-W219 HydrophobicContact CG-CZ3 3.96Å
172C98.1Very high98.4Very high4 Ų443 Ų433%0.02724%0.244CC..Hα-helixtrans-83.2-13.5-178.9-68.80000113.9I168 A169 H170 V174 V201 K203I168-C172 WeakPolarHBondContact O-CB 3.48Å; I168-C172 PolarHBondContact O-N 3.48Å; I168-C172 PolarHBondContact O-SG 3.43Å; I168-C172 VanDerWaalsContact O-SG 3.4Å; A169-C172 PolarHBondContact O-N 3.05Å; H170-C172 VanDerWaalsContact C-N 3.3Å; H170-C172 PolarHBondContact O-N 3.24Å; C172-V174 HydrophobicContact CB-CG1 4.38Å; C172-V174 HydrophobicContact CB-CG2 4.01Å; C172-V201 HydrophobicContact CB-CG1 4.15Å; C172-K203 PolarHBondContact O-NZ 3.45Å
173G98Very high98.4Very high68 Ų6841.7 Ų41.770%0.70124%0.237SC*.THydrogen-bonded Turntrans70.238.9-175.300000113A169 H170A169-G173 PolarHBondContact O-N 3.36Å; H170-G173 PolarHBondContact O-N 2.94Å
174V98.7Very high98.4Very high22 Ų2240.3 Ų40.313%0.13323%0.232CC..SBendtrans-126.8158.6-177.7-59.70000111.6A169 C172 N178 V179 V201 K203A169-V174 CarbonylContact C-O 3.6Å; A169-V174 HydrophobicContact CB-CG2 4.47Å; A169-V174 WeakPolarHBondContact CB-O 3.42Å; A169-V174 PolarHBondContact O-N 3Å; C172-V174 HydrophobicContact CB-CG1 4.38Å; C172-V174 HydrophobicContact CB-CG2 4.01Å; V174-N178 HydrophobicContact CB-CB 4.18Å; V174-N178 HydrophobicContact CG2-CB 4.14Å; V174-V179 HydrophobicContact CG2-CG2 4.07Å; V174-V201 HydrophobicContact CG1-CG1 4.43Å; V174-V201 HydrophobicContact CG2-CG1 4.03Å; V174-K203 HydrophobicContact CG1-CB 4.1Å; V174-K203 HydrophobicContact CG1-CD 4.32Å; V174-K203 HydrophobicContact CG1-CG 4.04Å
175P98.4Very high98.5Very high77 Ų7740.2 Ų40.250%0.523%0.232SC..  trans-58148.2169-2434.9000112T177 N178P175-T177 PolarHBondContact O-N 3.45Å; P175-N178 WeakPolarHBondContact O-CB 3.44Å; P175-N178 PolarHBondContact O-N 3.3Å
176V98.1Very high98.5Very high76 Ų7639.1 Ų39.146%0.46123%0.226SC..G310 helixtrans-61.6-28.1179.9720000113.1L165 A169 N178 V179L165-V176 HydrophobicContact CB-CG2 3.94Å; A169-V176 HydrophobicContact CB-CB 4.17Å; A169-V176 HydrophobicContact CB-CG2 4.36Å; V176-N178 PolarHBondContact O-N 3.32Å; V176-N178 VanDerWaalsContact O-N 3.16Å; V176-V179 PolarHBondContact O-N 3.48Å; V176-V179 VanDerWaalsContact O-N 3.11Å
177T97.3Very high98.5Very high122 Ų12237 Ų3775%0.74821%0.211SC*.G310 helixtrans-63.1-16.717450.60000113.2P175P175-T177 PolarHBondContact O-N 3.45Å
178N98.3Very high98.5Very high48 Ų4837.6 Ų37.626%0.25721%0.213SC..G310 helixtrans-92.94.1178.7-68.625.3000112.6V174 P175 V176 V201 T202V174-N178 HydrophobicContact CB-CB 4.18Å; V174-N178 HydrophobicContact CG2-CB 4.14Å; P175-N178 WeakPolarHBondContact O-CB 3.44Å; P175-N178 PolarHBondContact O-N 3.3Å; V176-N178 PolarHBondContact O-N 3.32Å; V176-N178 VanDerWaalsContact O-N 3.16Å; N178-V201 CarbonylContact O-C 3.52Å; N178-V201 VanDerWaalsContact O-CA 3.29Å; N178-V201 WeakPolarHBondContact O-CA 3.3Å; N178-T202 WeakPolarHBondContact CB-O 3.38Å; N178-T202 PolarHBondContact ND2-O 3.09Å; N178-T202 PolarHBondContact O-N 2.91Å
179V98.7Very high98.4Very high8 Ų838.9 Ų38.95%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-113.5128.7173.8-171.40000108.3L165 I168 A169 V174 V176 V182 K200 V201L165-V179 HydrophobicContact CD2-CB 4.01Å; L165-V179 HydrophobicContact CD2-CG1 3.73Å; L165-V179 WeakPolarHBondContact CD2-O 3.49Å; I168-V179 HydrophobicContact CB-CG1 4.05Å; I168-V179 HydrophobicContact CG2-CG1 3.78Å; I168-V179 HydrophobicContact CG2-CG2 4.11Å; A169-V179 HydrophobicContact CB-CG2 3.81Å; V174-V179 HydrophobicContact CG2-CG2 4.07Å; V176-V179 PolarHBondContact O-N 3.48Å; V176-V179 VanDerWaalsContact O-N 3.11Å; V179-V182 HydrophobicContact CG1-CG1 4.03Å; V179-K200 WeakPolarHBondContact CA-O 3.44Å; V179-V201 HydrophobicContact CG1-CG2 4.47Å; V179-V201 HydrophobicContact CG2-CG2 4.37Å
180K98.4Very high98.2Very high56 Ų5642 Ų4224%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-138.8162.2176.269.8-175.5-167.1-163.20111.4V182 A199 K200 E207 T266K180-V182 VanDerWaalsContact C-N 3.3Å; K180-V182 PolarHBondContact O-N 2.91Å; K180-A199 WeakPolarHBondContact O-CA 3.31Å; K180-A199 WeakPolarHBondContact O-CB 3.5Å; K180-K200 HydrophobicContact CG-CB 3.95Å; K180-K200 PolarHBondContact N-O 3.44Å; K180-K200 PolarHBondContact O-N 3.23Å; K180-E207 WeakPolarHBondContact CE-OE1 3.46Å; K180-E207 WeakPolarHBondContact CE-OE2 3.27Å; K180-E207 IonicContact NZ-OE1 2.72Å; K180-E207 PolarHBondContact NZ-OE1 3.41Å; K180-E207 IonicContact NZ-OE2 2.77Å; K180-E207 PolarHBondContact NZ-OE2 3.36Å; K180-T266 HydrophobicContact CD-CG2 4.35Å
181N98.6Very high98.2Very high10 Ų1036.3 Ų36.35%0.05322%0.224CC..  trans63.430.1171.4-56.20000114.4A199 G265 T266 W267N181-A199 WeakPolarHBondContact O-CA 3.34Å; N181-A199 WeakPolarHBondContact O-CB 3.3Å; N181-G265 PolarHBondContact ND2-O 2.95Å; N181-G265 PolarHBondContact OD1-O 3.13Å; N181-T266 WeakPolarHBondContact OD1-CA 3.23Å; N181-W267 HydrophobicContact CB-CD2 3.95Å; N181-W267 HydrophobicContact CB-CE3 3.69Å; N181-W267 HydrophobicContact CB-CG 4.43Å; N181-W267 HydrophobicContact CB-CZ3 4.07Å; N181-W267 PolarHBondContact OD1-N 3.36Å
182V98.7Very high98.2Very high1 Ų131.3 Ų31.31%0.00621%0.205CC..  trans-68.3147.3161.4-55.50000109.2H161 A164 L165 V179 K180 I196 A199H161-V182 VanDerWaalsContact CE1-CG2 3.46Å; H161-V182 WeakPolarHBondContact CE1-CG2 3.48Å; H161-V182 PolarHBondContact CE1-O 2.95Å; H161-V182 PolarHBondContact ND1-O 3.39Å; H161-V182 VanDerWaalsContact ND1-O 3.14Å; A164-V182 HydrophobicContact CB-CB 4.4Å; A164-V182 HydrophobicContact CB-CG2 4.14Å; L165-V182 HydrophobicContact CD2-CB 4.3Å; L165-V182 HydrophobicContact CD2-CG1 3.8Å; L165-V182 HydrophobicContact CD2-CG2 3.56Å; L165-V182 HydrophobicContact CG-CG2 3.61Å; V179-V182 HydrophobicContact CG1-CG1 4.03Å; K180-V182 VanDerWaalsContact C-N 3.3Å; K180-V182 PolarHBondContact O-N 2.91Å; V182-I196 HydrophobicContact CG1-CG2 4.08Å; V182-A199 HydrophobicContact CG1-CB 3.87Å
183I98.9Very high98.3Very high1 Ų131.4 Ų31.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-124.7134.8-174.5-48.2173.1000108.4W185 P194 D195 H198 W267 P289 L305I183-W185 HydrophobicContact CD1-CZ2 3.96Å; I183-W185 HydrophobicContact CG2-CD2 3.82Å; I183-W185 VanDerWaalsContact CG2-CE2 3.41Å; I183-W185 HydrophobicContact CG2-CG 4.06Å; I183-W185 HydrophobicContact CG2-CZ2 3.84Å; I183-P194 CarbonylContact O-C 3.48Å; I183-P194 WeakPolarHBondContact O-CA 3.16Å; I183-D195 HydrophobicContact CB-CB 4.28Å; I183-D195 PolarHBondContact N-O 3.07Å; I183-D195 PolarHBondContact O-N 3.45Å; I183-H198 HydrophobicContact CD1-CB 4.3Å; I183-W267 HydrophobicContact CD1-CE3 4.33Å; I183-W267 HydrophobicContact CD1-CZ3 4.16Å; I183-W267 HydrophobicContact CG1-CE3 4.43Å; I183-P289 HydrophobicContact CD1-CB 4.12Å; I183-P289 HydrophobicContact CD1-CG 4.1Å; I183-P289 HydrophobicContact CG1-CB 4.02Å; I183-P289 HydrophobicContact CG1-CG 4.43Å; I183-P289 HydrophobicContact CG2-CB 3.84Å; I183-P289 HydrophobicContact CG2-CG 3.83Å; I183-L305 HydrophobicContact CD1-CD1 3.74Å
184I98.9Very high98.3Very high0 Ų028.2 Ų28.20%017%0.172CC..EExtended strand (participates in β ladder)trans-106.8120163.8-52.4-58.7000106.6T157 D160 H161 A164 Q192 P194 S269 S287T157-I184 HydrophobicContact CG2-CG2 4.04Å; D160-I184 HydrophobicContact CB-CD1 3.99Å; D160-I184 HydrophobicContact CB-CG1 3.89Å; D160-I184 HydrophobicContact CB-CG2 4.17Å; H161-I184 HydrophobicContact CB-CG1 3.95Å; A164-I184 HydrophobicContact CB-CD1 4.18Å; I184-Q192 HydrophobicContact CG2-CB 4.21Å; I184-P194 HydrophobicContact CD1-CB 3.82Å; I184-P194 HydrophobicContact CD1-CG 4.39Å; I184-S269 PolarHBondContact N-OG 3.36Å; I184-S287 CarbonylContact O-C 3.57Å; I184-S287 WeakPolarHBondContact O-CB 3.19Å; I184-S287 PolarHBondContact O-OG 3.05Å
185W98.9Very high98.3Very high0 Ų027.5 Ų27.50%017%0.167CC..EExtended strand (participates in β ladder)trans-99.6139.3173.2-56.596000110.3I183 F193 D195 Y278 Y286 S287 F288 P289 L305 I307 M315I183-W185 HydrophobicContact CD1-CZ2 3.96Å; I183-W185 HydrophobicContact CG2-CD2 3.82Å; I183-W185 VanDerWaalsContact CG2-CE2 3.41Å; I183-W185 HydrophobicContact CG2-CG 4.06Å; I183-W185 HydrophobicContact CG2-CZ2 3.84Å; W185-F193 HydrophobicContact CB-CB 4.21Å; W185-F193 HydrophobicContact CB-CD1 4.24Å; W185-F193 AromaticContact CD1-CD1 3.48Å; W185-F193 VanDerWaalsContact CD1-CD1 3.48Å; W185-F193 AromaticContact CD1-CE1 3.88Å; W185-F193 HydrophobicContact CG-CD1 4.12Å; W185-F193 PolarHBondContact N-O 3.02Å; W185-F193 PolarHBondContact O-N 3.03Å; W185-D195 PolarHBondContact NE1-OD2 3.14Å; W185-D195 VanDerWaalsContact NE1-OD2 3.11Å; W185-Y278 AromaticContact CH2-CD2 3.83Å; W185-Y278 HydrophobicContact CH2-CD2 3.83Å; W185-Y278 HydrophobicContact CH2-CE1 4.47Å; W185-Y278 AromaticContact CH2-CE2 3.74Å; W185-Y278 HydrophobicContact CH2-CE2 3.74Å; W185-Y278 HydrophobicContact CH2-CG 4.23Å; W185-Y278 AromaticContact CZ3-CD2 3.68Å; W185-Y278 HydrophobicContact CZ3-CD2 3.68Å; W185-Y278 AromaticContact CZ3-CE2 3.98Å; W185-Y278 HydrophobicContact CZ3-CE2 3.98Å; W185-Y278 HydrophobicContact CZ3-CG 4.17Å; W185-Y286 HydrophobicContact CB-CE1 4.07Å; W185-Y286 HydrophobicContact CE3-CE1 4.15Å; W185-S287 WeakPolarHBondContact CA-O 3.49Å; W185-F288 HydrophobicContact CE3-CD1 4.12Å; W185-F288 AromaticContact CZ3-CD1 3.68Å; W185-F288 HydrophobicContact CZ3-CD1 3.68Å; W185-F288 HydrophobicContact CZ3-CE1 4.22Å; W185-P289 VanDerWaalsContact CH2-CD 3.49Å; W185-P289 HydrophobicContact CH2-CG 3.73Å; W185-P289 HydrophobicContact CZ2-CG 4.03Å; W185-P289 HydrophobicContact CZ3-CG 4.28Å; W185-L305 HydrophobicContact CH2-CD1 4.19Å; W185-L305 HydrophobicContact CZ2-CD1 4.09Å; W185-I307 HydrophobicContact CH2-CD1 4.25Å; W185-I307 HydrophobicContact CZ2-CD1 4.05Å; W185-M315 HydrophobicContact CB-CG 4.11Å; W185-M315 HydrophobicContact CD2-CE 4.06Å; W185-M315 HydrophobicContact CD2-CG 4.45Å; W185-M315 HydrophobicContact CD2-SD 4.2Å; W185-M315 HydrophobicContact CE3-CE 3.62Å; W185-M315 HydrophobicContact CE3-SD 4.36Å; W185-M315 HydrophobicContact CG-CG 4.17Å; W185-M315 HydrophobicContact CG-SD 4.48Å; W185-M315 HydrophobicContact CH2-CE 4.47Å; W185-M315 HydrophobicContact CZ3-CE 3.82Å
186G98.8Very high98.3Very high0 Ų023.9 Ų23.90%014%0.144CC..BIsolated β-bridgetrans98.4-145.7166.700000117.9N134 Y286 S287 T318N134-G186 PolarHBondContact ND2-O 2.96Å; G186-Y286 VanDerWaalsContact CA-CE2 3.43Å; G186-Y286 VanDerWaalsContact N-CZ 3.27Å; G186-S287 PolarHBondContact N-O 3.25Å; G186-S287 WeakPolarHBondContact O-CB 3.3Å; G186-S287 PolarHBondContact O-N 2.86Å; G186-T318 VanDerWaalsContact CA-CG2 3.44Å; G186-T318 WeakPolarHBondContact CA-OG1 3.26Å
187N98.8Very high98.3Very high2 Ų224.4 Ų24.41%0.01114%0.138CC..  trans-74.7151.1-178.3-158.2-2.5000111N134 S189 Q192 T318 E321 L322N134-N187 PolarHBondContact OD1-OD1 3.06Å; N187-S189 PolarHBondContact O-N 2.92Å; N187-Q192 WeakPolarHBondContact O-CB 3.45Å; N187-T318 PolarHBondContact N-OG1 3.17Å; N187-E321 PolarHBondContact ND2-OE2 3.42Å; N187-L322 HydrophobicContact CB-CD1 4.03Å; N187-L322 HydrophobicContact CB-CD2 3.84Å; N187-L322 HydrophobicContact CB-CG 3.72Å; N187-L322 VanDerWaalsContact CG-CD2 3.41Å; N187-L322 WeakPolarHBondContact OD1-CD2 3.2Å
188H98.4Very high98.4Very high34 Ų3420.3 Ų20.316%0.15711%0.11CC..SBendtrans-76.869.7161.1-177.548.1000110N131 A133 N134 T157 D160N131-H188 PolarHBondContact OD1-CD2 3.36Å; A133-H188 HydrophobicContact CB-CB 4.38Å; N134-H188 PolarHBondContact OD1-N 3.43Å; T157-H188 HydrophobicContact CG2-CB 3.97Å; D160-H188 IonicContact OD1-CE1 2.84Å; D160-H188 IonicContact OD1-ND1 3.15Å; D160-H188 IonicContact OD2-CE1 3.91Å; D160-H188 PolarHBondContact OD2-CE1 2.95Å; D160-H188 VanDerWaalsContact OD2-CE1 3.25Å; D160-H188 IonicContact OD2-CG 3.71Å; D160-H188 IonicContact OD2-ND1 2.73Å; D160-H188 PolarHBondContact OD2-ND1 2.93Å
189S96.6Very high98.4Very high27 Ų2718 Ų1819%0.18910%0.098CC..SBendtrans-147.2-170.5-176.783.10000111.4N187 T191 Q192 E321N187-S189 PolarHBondContact O-N 2.92Å; S189-T191 PolarHBondContact O-N 3.09Å; S189-T191 PolarHBondContact OG-N 2.96Å; S189-T191 PolarHBondContact OG-OG1 3.06Å; S189-Q192 WeakPolarHBondContact O-CB 3.44Å; S189-Q192 VanDerWaalsContact O-CG 3.23Å; S189-Q192 WeakPolarHBondContact O-CG 3.43Å; S189-Q192 PolarHBondContact O-N 3.24Å; S189-Q192 PolarHBondContact O-NE2 2.92Å; S189-E321 WeakPolarHBondContact CB-OE2 3.41Å; S189-E321 PolarHBondContact OG-OE2 2.95Å
190A95.8Very high98.4Very high71 Ų7120.8 Ų20.859%0.58711%0.109SC*.THydrogen-bonded Turntrans-70.3-14.4171.900000113.4Q229A190-Q229 WeakPolarHBondContact O-CG 3.32Å; A190-Q229 PolarHBondContact O-NE2 3.21Å; A190-Q229 VanDerWaalsContact O-NE2 3.07Å
191T98.2Very high98.4Very high27 Ų2718.1 Ų18.117%0.16610%0.098CC..THydrogen-bonded Turntrans-85.9-11.8177.570.10000113.2S189 T318 E321S189-T191 PolarHBondContact O-N 3.09Å; S189-T191 PolarHBondContact OG-N 2.96Å; S189-T191 PolarHBondContact OG-OG1 3.06Å; T191-T318 WeakPolarHBondContact O-CB 3.38Å; T191-T318 WeakPolarHBondContact OG1-CA 3.32Å; T191-T318 VanDerWaalsContact OG1-CB 3.29Å; T191-T318 WeakPolarHBondContact OG1-CB 3.09Å; T191-T318 PolarHBondContact OG1-OG1 3.01Å; T191-E321 WeakPolarHBondContact CB-OE2 3.36Å; T191-E321 HydrophobicContact CG2-CB 4.26Å; T191-E321 HydrophobicContact CG2-CG 4.45Å; T191-E321 VanDerWaalsContact CG2-OE2 3.27Å; T191-E321 WeakPolarHBondContact CG2-OE2 3.48Å; T191-E321 PolarHBondContact OG1-OE2 3.28Å
192Q98.7Very high98.4Very high4 Ų419.5 Ų19.52%0.01911%0.106CC..  trans-4714717972.2-179.9-95.300111.9D160 I184 N187 S189 P194 Q229D160-Q192 VanDerWaalsContact CG-NE2 3.29Å; D160-Q192 PolarHBondContact OD1-NE2 3.14Å; D160-Q192 PolarHBondContact OD1-OE1 3.44Å; I184-Q192 HydrophobicContact CG2-CB 4.21Å; N187-Q192 WeakPolarHBondContact O-CB 3.45Å; S189-Q192 WeakPolarHBondContact O-CB 3.44Å; S189-Q192 VanDerWaalsContact O-CG 3.23Å; S189-Q192 WeakPolarHBondContact O-CG 3.43Å; S189-Q192 PolarHBondContact O-N 3.24Å; S189-Q192 PolarHBondContact O-NE2 2.92Å; Q192-P194 WeakPolarHBondContact O-CD 3.34Å; Q192-Q229 HydrophobicContact CG-CG 3.87Å; Q192-Q229 PolarHBondContact O-NE2 2.8Å
193F98.8Very high98.3Very high5 Ų523.1 Ų23.12%0.02212%0.122CC..EExtended strand (participates in β ladder)trans-113.6102.1176.5172.5-137.9000111W185 D195 I225 F310 A311 K314 M315W185-F193 HydrophobicContact CB-CB 4.21Å; W185-F193 HydrophobicContact CB-CD1 4.24Å; W185-F193 AromaticContact CD1-CD1 3.48Å; W185-F193 VanDerWaalsContact CD1-CD1 3.48Å; W185-F193 AromaticContact CD1-CE1 3.88Å; W185-F193 HydrophobicContact CG-CD1 4.12Å; W185-F193 PolarHBondContact N-O 3.02Å; W185-F193 PolarHBondContact O-N 3.03Å; F193-D195 HydrophobicContact CD1-CB 4.17Å; F193-D195 HydrophobicContact CE1-CB 3.63Å; F193-D195 HydrophobicContact CE2-CB 4.11Å; F193-D195 HydrophobicContact CZ-CB 3.59Å; F193-D195 PolarHBondContact O-N 3.33Å; F193-I225 HydrophobicContact CD2-CD1 3.97Å; F193-I225 HydrophobicContact CD2-CG1 4.45Å; F193-I225 HydrophobicContact CE2-CD1 3.82Å; F193-I225 HydrophobicContact CE2-CG1 4.47Å; F193-F310 HydrophobicContact CE2-CE1 4.01Å; F193-F310 HydrophobicContact CZ-CD1 4.49Å; F193-F310 HydrophobicContact CZ-CE1 4.27Å; F193-A311 HydrophobicContact CE1-CB 3.7Å; F193-A311 HydrophobicContact CZ-CB 4.16Å; F193-K314 HydrophobicContact CB-CB 3.89Å; F193-K314 HydrophobicContact CD1-CB 3.89Å; F193-K314 HydrophobicContact CD2-CB 3.91Å; F193-K314 HydrophobicContact CD2-CG 4.1Å; F193-K314 HydrophobicContact CE1-CB 4.44Å; F193-K314 HydrophobicContact CE2-CB 4.47Å; F193-K314 HydrophobicContact CE2-CG 4.38Å; F193-K314 HydrophobicContact CG-CB 3.61Å; F193-K314 HydrophobicContact CG-CG 4.31Å; F193-M315 HydrophobicContact CD1-CG 4.17Å
194P98.8Very high98.1Very high2 Ų230.5 Ų30.51%0.01316%0.162CC..EExtended strand (participates in β ladder)trans-73.6116.9167.2-5.721.9000109.8I183 I184 Q192 F224 V228I183-P194 CarbonylContact O-C 3.48Å; I183-P194 WeakPolarHBondContact O-CA 3.16Å; I184-P194 HydrophobicContact CD1-CB 3.82Å; I184-P194 HydrophobicContact CD1-CG 4.39Å; Q192-P194 WeakPolarHBondContact O-CD 3.34Å; P194-F224 HydrophobicContact CB-CE1 3.74Å; P194-F224 HydrophobicContact CB-CZ 3.92Å; P194-V228 HydrophobicContact CB-CB 4.21Å; P194-V228 HydrophobicContact CB-CG1 4.18Å; P194-V228 HydrophobicContact CB-CG2 4.08Å; P194-V228 HydrophobicContact CG-CB 3.56Å; P194-V228 HydrophobicContact CG-CG1 3.62Å; P194-V228 HydrophobicContact CG-CG2 3.97Å
195D98.8Very high97.9Very high6 Ų634.1 Ų34.13%0.03220%0.199CC..EExtended strand (participates in β ladder)trans-120.4132.9-175.3-178.612.9000110.5I183 W185 F193 R197I183-D195 HydrophobicContact CB-CB 4.28Å; I183-D195 PolarHBondContact N-O 3.07Å; I183-D195 PolarHBondContact O-N 3.45Å; W185-D195 PolarHBondContact NE1-OD2 3.14Å; W185-D195 VanDerWaalsContact NE1-OD2 3.11Å; F193-D195 HydrophobicContact CD1-CB 4.17Å; F193-D195 HydrophobicContact CE1-CB 3.63Å; F193-D195 HydrophobicContact CE2-CB 4.11Å; F193-D195 HydrophobicContact CZ-CB 3.59Å; F193-D195 PolarHBondContact O-N 3.33Å; D195-R197 WeakPolarHBondContact OD1-CB 3.31Å; D195-R197 PolarHBondContact OD1-N 3.26Å
196I98.5Very high97.9Very high1 Ų141.5 Ų41.51%0.00523%0.231CC..  trans-122.29.917970.3168.8000112.2I168 V182 H198 A199 A210 Y211 V214 I220 F224I168-I196 HydrophobicContact CD1-CD1 3.58Å; I168-I196 HydrophobicContact CD1-CG2 3.94Å; I168-I196 HydrophobicContact CG1-CD1 4.45Å; I168-I196 HydrophobicContact CG1-CG2 3.87Å; V182-I196 HydrophobicContact CG1-CG2 4.08Å; I196-H198 PolarHBondContact O-N 3.16Å; I196-A199 HydrophobicContact CB-CB 3.94Å; I196-A199 WeakPolarHBondContact O-CB 3.42Å; I196-A199 PolarHBondContact O-N 3.18Å; I196-A199 VanDerWaalsContact O-N 3.07Å; I196-A210 HydrophobicContact CB-CB 4.13Å; I196-A210 HydrophobicContact CD1-CB 4.23Å; I196-A210 HydrophobicContact CG1-CB 4.45Å; I196-Y211 HydrophobicContact CD1-CD2 4.31Å; I196-Y211 HydrophobicContact CD1-CE2 4.5Å; I196-Y211 HydrophobicContact CG1-CD2 3.7Å; I196-Y211 HydrophobicContact CG1-CE2 3.61Å; I196-V214 HydrophobicContact CD1-CG2 4.22Å; I196-I220 HydrophobicContact CD1-CD1 4.04Å; I196-I220 HydrophobicContact CD1-CG1 3.85Å; I196-I220 HydrophobicContact CD1-CG2 3.96Å; I196-I220 HydrophobicContact CG1-CG2 3.92Å; I196-F224 HydrophobicContact CG2-CE1 3.63Å; I196-F224 HydrophobicContact CG2-CZ 3.63Å
197R98Very high97.8Very high88 Ų8846.1 Ų46.133%0.33225%0.253SS..THydrogen-bonded Turntrans-57.4-39-176.7176.66689.9-1758.2111.7D195 Y211 D308D195-R197 WeakPolarHBondContact OD1-CB 3.31Å; D195-R197 PolarHBondContact OD1-N 3.26Å; R197-Y211 VanDerWaalsContact CA-CD2 3.47Å; R197-Y211 HydrophobicContact CB-CD2 4.35Å; R197-Y211 HydrophobicContact CB-CE2 3.8Å; R197-Y211 VanDerWaalsContact N-CE2 3.33Å; R197-D308 IonicContact CZ-OD2 3.25Å; R197-D308 IonicContact NE-OD2 3.78Å; R197-D308 PolarHBondContact NE-OD2 3.25Å; R197-D308 IonicContact NH2-OD2 2.71Å; R197-D308 PolarHBondContact NH2-OD2 3.45Å
198H98.3Very high97.8Very high36 Ų3649 Ų4917%0.16727%0.267CS..THydrogen-bonded Turntrans-102.21.3-179.9-56.3-69.3000112.9I183 I196 W267 L305 T306I183-H198 HydrophobicContact CD1-CB 4.3Å; I196-H198 PolarHBondContact O-N 3.16Å; H198-W267 HydrophobicContact CB-CH2 4.12Å; H198-W267 HydrophobicContact CB-CZ3 3.79Å; H198-L305 HydrophobicContact CB-CD2 4.27Å; H198-T306 PolarHBondContact NE2-O 2.68Å
199A98.6Very high97.8Very high0 Ų051 Ų510%028%0.279CS..  trans-74.5152.8178.500000110.9K180 N181 V182 I196 A210K180-A199 WeakPolarHBondContact O-CA 3.31Å; K180-A199 WeakPolarHBondContact O-CB 3.5Å; N181-A199 WeakPolarHBondContact O-CA 3.34Å; N181-A199 WeakPolarHBondContact O-CB 3.3Å; V182-A199 HydrophobicContact CG1-CB 3.87Å; I196-A199 HydrophobicContact CB-CB 3.94Å; I196-A199 WeakPolarHBondContact O-CB 3.42Å; I196-A199 PolarHBondContact O-N 3.18Å; I196-A199 VanDerWaalsContact O-N 3.07Å; A199-A210 HydrophobicContact CB-CB 3.67Å; A199-A210 WeakPolarHBondContact O-CB 3.49Å; A199-A210 PolarHBondContact O-N 3.43Å
200K98.7Very high97.9Very high66 Ų6649.7 Ų49.729%0.28727%0.27SS..EExtended strand (participates in β ladder)trans-119.5145.9179.4-60.3-65.8-174176.50110.6V179 K180 E207 I208 D209V179-K200 WeakPolarHBondContact CA-O 3.44Å; K180-K200 HydrophobicContact CG-CB 3.95Å; K180-K200 PolarHBondContact N-O 3.44Å; K180-K200 PolarHBondContact O-N 3.23Å; K200-E207 HydrophobicContact CB-CG 3.78Å; K200-E207 HydrophobicContact CD-CG 4.24Å; K200-E207 HydrophobicContact CG-CG 4.19Å; K200-I208 WeakPolarHBondContact CA-O 3.4Å; K200-D209 IonicContact NZ-OD1 3.4Å; K200-D209 PolarHBondContact NZ-OD1 3.21Å
201V98.7Very high98Very high0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-125.8125175.2176.60000108.9I168 C172 V174 N178 V179 K203 I208 A210 A213I168-V201 HydrophobicContact CG2-CG2 3.86Å; C172-V201 HydrophobicContact CB-CG1 4.15Å; V174-V201 HydrophobicContact CG1-CG1 4.43Å; V174-V201 HydrophobicContact CG2-CG1 4.03Å; N178-V201 CarbonylContact O-C 3.52Å; N178-V201 VanDerWaalsContact O-CA 3.29Å; N178-V201 WeakPolarHBondContact O-CA 3.3Å; V179-V201 HydrophobicContact CG1-CG2 4.47Å; V179-V201 HydrophobicContact CG2-CG2 4.37Å; V201-K203 HydrophobicContact CG1-CB 4.38Å; V201-I208 PolarHBondContact N-O 3.27Å; V201-I208 VanDerWaalsContact O-CG1 3.3Å; V201-I208 WeakPolarHBondContact O-CG1 3.29Å; V201-I208 PolarHBondContact O-N 3.47Å; V201-A210 HydrophobicContact CG2-CB 3.83Å; V201-A213 HydrophobicContact CB-CB 3.68Å; V201-A213 HydrophobicContact CG1-CB 3.94Å; V201-A213 HydrophobicContact CG2-CB 3.9Å
202T98.5Very high98Very high39 Ų3949.9 Ų49.924%0.23927%0.268CS..EExtended strand (participates in β ladder)trans-89.7108.3169.3-62.90000109.9N178 K206N178-T202 WeakPolarHBondContact CB-O 3.38Å; N178-T202 PolarHBondContact ND2-O 3.09Å; N178-T202 PolarHBondContact O-N 2.91Å; T202-K206 CarbonylContact C-O 3.37Å; T202-K206 VanDerWaalsContact CA-O 3.31Å; T202-K206 WeakPolarHBondContact CA-O 3.21Å
203K96.5Very high98Very high77 Ų7750.5 Ų50.534%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-126.3129.8179.1-173.2166.6178.7165.50109.3C172 V174 V201 G205 K206C172-K203 PolarHBondContact O-NZ 3.45Å; V174-K203 HydrophobicContact CG1-CB 4.1Å; V174-K203 HydrophobicContact CG1-CD 4.32Å; V174-K203 HydrophobicContact CG1-CG 4.04Å; V201-K203 HydrophobicContact CG1-CB 4.38Å; K203-G205 VanDerWaalsContact C-N 3.26Å; K203-G205 PolarHBondContact O-N 3.49Å; K203-K206 PolarHBondContact N-O 3.23Å; K203-K206 PolarHBondContact O-N 3.3Å; K203-K206 VanDerWaalsContact O-N 3.08Å
204N95Very high97.9Very high156 Ų15651 Ų5183%0.83428%0.277SS*.THydrogen-bonded Turntrans52.342.6-177.3-56-21.2000113.1K206N204-K206 PolarHBondContact O-N 2.87Å
205G95.3Very high97.9Very high76 Ų7654 Ų5478%0.78431%0.308SS*.THydrogen-bonded Turntrans73.83.8179.400000115.6K203K203-G205 VanDerWaalsContact C-N 3.26Å; K203-G205 PolarHBondContact O-N 3.49Å
206K97.5Very high97.8Very high155 Ų15556.6 Ų56.667%0.67432%0.322SS*.EExtended strand (participates in β ladder)trans-115.3133.3177.6-64.9-175.6-179.6-177.70111T202 K203 N204T202-K206 CarbonylContact C-O 3.37Å; T202-K206 VanDerWaalsContact CA-O 3.31Å; T202-K206 WeakPolarHBondContact CA-O 3.21Å; K203-K206 PolarHBondContact N-O 3.23Å; K203-K206 PolarHBondContact O-N 3.3Å; K203-K206 VanDerWaalsContact O-N 3.08Å; N204-K206 PolarHBondContact O-N 2.87Å
207E98.1Very high97.8Very high97 Ų9761.5 Ų61.545%0.45335%0.345SS..EExtended strand (participates in β ladder)trans-82.3124.7170.1-174.116411300109.9K180 K200K180-E207 WeakPolarHBondContact CE-OE1 3.46Å; K180-E207 WeakPolarHBondContact CE-OE2 3.27Å; K180-E207 IonicContact NZ-OE1 2.72Å; K180-E207 PolarHBondContact NZ-OE1 3.41Å; K180-E207 IonicContact NZ-OE2 2.77Å; K180-E207 PolarHBondContact NZ-OE2 3.36Å; K200-E207 HydrophobicContact CB-CG 3.78Å; K200-E207 HydrophobicContact CD-CG 4.24Å; K200-E207 HydrophobicContact CG-CG 4.19Å
208I98Very high97.8Very high63 Ų6360 Ų6032%0.32336%0.357SS..EExtended strand (participates in β ladder)trans-133.1161.8179.855.9169.8000110.2K200 V201 A213K200-I208 WeakPolarHBondContact CA-O 3.4Å; V201-I208 PolarHBondContact N-O 3.27Å; V201-I208 VanDerWaalsContact O-CG1 3.3Å; V201-I208 WeakPolarHBondContact O-CG1 3.29Å; V201-I208 PolarHBondContact O-N 3.47Å; I208-A213 HydrophobicContact CD1-CB 3.57Å; I208-A213 HydrophobicContact CG1-CB 3.96Å
209D98.4Very high97.8Very high75 Ų7559 Ų5940%0.40135%0.352SS..EExtended strand (participates in β ladder)trans-62.5137.2175-64.8-33.8000111K200 Y211 A212 A213K200-D209 IonicContact NZ-OD1 3.4Å; K200-D209 PolarHBondContact NZ-OD1 3.21Å; D209-Y211 PolarHBondContact O-N 3.37Å; D209-A212 HydrophobicContact CB-CB 4.39Å; D209-A212 PolarHBondContact O-N 3.41Å; D209-A213 PolarHBondContact O-N 2.93Å
210A98.4Very high97.8Very high0 Ų059.3 Ų59.30%035%0.354CS..Hα-helixtrans-60.9-34.9-179.200000112.2I196 A199 V201 A212 A213 V214I196-A210 HydrophobicContact CB-CB 4.13Å; I196-A210 HydrophobicContact CD1-CB 4.23Å; I196-A210 HydrophobicContact CG1-CB 4.45Å; A199-A210 HydrophobicContact CB-CB 3.67Å; A199-A210 WeakPolarHBondContact O-CB 3.49Å; A199-A210 PolarHBondContact O-N 3.43Å; V201-A210 HydrophobicContact CG2-CB 3.83Å; A210-A212 PolarHBondContact O-N 2.9Å; A210-A213 PolarHBondContact O-N 3.38Å; A210-V214 WeakPolarHBondContact O-CB 3.36Å; A210-V214 VanDerWaalsContact O-CG2 3.3Å; A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 2.85Å
211Y97.8Very high97.8Very high30 Ų3059.1 Ų59.112%0.11835%0.353CS..Hα-helixtrans-56.4-48.1172.4-97.7-112.2000111.9I196 R197 D209 G215 I220I196-Y211 HydrophobicContact CD1-CD2 4.31Å; I196-Y211 HydrophobicContact CD1-CE2 4.5Å; I196-Y211 HydrophobicContact CG1-CD2 3.7Å; I196-Y211 HydrophobicContact CG1-CE2 3.61Å; R197-Y211 VanDerWaalsContact CA-CD2 3.47Å; R197-Y211 HydrophobicContact CB-CD2 4.35Å; R197-Y211 HydrophobicContact CB-CE2 3.8Å; R197-Y211 VanDerWaalsContact N-CE2 3.33Å; D209-Y211 PolarHBondContact O-N 3.37Å; Y211-G215 PolarHBondContact O-N 3.29Å; Y211-I220 HydrophobicContact CD1-CD1 3.79Å; Y211-I220 HydrophobicContact CD2-CD1 4.24Å; Y211-I220 HydrophobicContact CE1-CD1 4.12Å; Y211-I220 HydrophobicContact CE1-CG2 4.05Å; Y211-I220 HydrophobicContact CE2-CG2 3.81Å; Y211-I220 HydrophobicContact CG-CD1 3.87Å
212A98Very high97.8Very high72 Ų7260.5 Ų60.560%0.59537%0.367SS*.Hα-helixtrans-70.2-37.7178.900000112.1D209 A210 V214 G215D209-A212 HydrophobicContact CB-CB 4.39Å; D209-A212 PolarHBondContact O-N 3.41Å; A210-A212 PolarHBondContact O-N 2.9Å; A212-V214 VanDerWaalsContact C-N 3.33Å; A212-V214 PolarHBondContact O-N 3.22Å; A212-G215 PolarHBondContact O-N 3.43Å
213A98.2Very high97.7Very high16 Ų1663.9 Ų63.913%0.13238%0.38CS..Hα-helixtrans-64.5-37178.100000113V201 I208 D209 A210V201-A213 HydrophobicContact CB-CB 3.68Å; V201-A213 HydrophobicContact CG1-CB 3.94Å; V201-A213 HydrophobicContact CG2-CB 3.9Å; I208-A213 HydrophobicContact CD1-CB 3.57Å; I208-A213 HydrophobicContact CG1-CB 3.96Å; D209-A213 PolarHBondContact O-N 2.93Å; A210-A213 PolarHBondContact O-N 3.38Å
214V98.3Very high97.8Very high16 Ų1660.2 Ų60.210%0.09737%0.365CS..Hα-helixtrans-76.3-40.8175.2170.40000111I168 R171 I196 A210 A212 D216 W219 I220I168-V214 HydrophobicContact CD1-CG2 4.18Å; I168-V214 HydrophobicContact CG2-CG2 4.49Å; R171-V214 HydrophobicContact CG-CG1 4.05Å; R171-V214 HydrophobicContact CG-CG2 4.23Å; I196-V214 HydrophobicContact CD1-CG2 4.22Å; A210-V214 WeakPolarHBondContact O-CB 3.36Å; A210-V214 VanDerWaalsContact O-CG2 3.3Å; A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 2.85Å; A212-V214 VanDerWaalsContact C-N 3.33Å; A212-V214 PolarHBondContact O-N 3.22Å; V214-D216 VanDerWaalsContact C-N 3.26Å; V214-D216 HydrophobicContact CG1-CB 4.32Å; V214-D216 PolarHBondContact O-N 3.34Å; V214-W219 HydrophobicContact CG1-CE3 3.6Å; V214-W219 HydrophobicContact CG1-CZ3 3.9Å; V214-W219 HydrophobicContact CG2-CZ3 4.31Å; V214-I220 HydrophobicContact CB-CD1 4.07Å; V214-I220 HydrophobicContact CB-CG1 4.31Å; V214-I220 HydrophobicContact CG1-CD1 3.93Å; V214-I220 HydrophobicContact CG1-CG1 3.75Å
215G97.6Very high98Very high65 Ų6553.2 Ų53.267%0.6733%0.327SS*.  trans68.318.417300000115.3Y211 A212Y211-G215 PolarHBondContact O-N 3.29Å; A212-G215 PolarHBondContact O-N 3.43Å
216D98.2Very high98.2Very high61 Ų6152.3 Ų52.333%0.32631%0.306SS..  trans-144.990.7-175.4-175.3-15.3000110.4R171 V214 G218 W219 I220R171-D216 IonicContact NH2-OD2 3.74Å; R171-D216 PolarHBondContact NH2-OD2 3.44Å; V214-D216 VanDerWaalsContact C-N 3.26Å; V214-D216 HydrophobicContact CG1-CB 4.32Å; V214-D216 PolarHBondContact O-N 3.34Å; D216-G218 VanDerWaalsContact C-N 3.28Å; D216-G218 PolarHBondContact O-N 3.43Å; D216-G218 PolarHBondContact OD1-N 2.81Å; D216-W219 HydrophobicContact CB-CB 3.94Å; D216-W219 PolarHBondContact O-N 2.87Å; D216-W219 PolarHBondContact OD1-N 3.38Å; D216-W219 WeakPolarHBondContact OD2-CB 3.48Å; D216-I220 VanDerWaalsContact O-CG1 3.24Å; D216-I220 WeakPolarHBondContact O-CG1 3.44Å; D216-I220 PolarHBondContact O-N 3.03Å
217E97.4Very high98.2Very high103 Ų10348 Ų4848%0.48129%0.29SS..Hα-helixtrans-65-31.8-178-173.7170178.200112.7I220 K221E217-I220 PolarHBondContact O-N 3.32Å; E217-K221 HydrophobicContact CG-CD 3.92Å; E217-K221 HydrophobicContact CG-CG 4.24Å; E217-K221 WeakPolarHBondContact O-CB 3.3Å; E217-K221 PolarHBondContact O-N 2.98Å; E217-K221 WeakPolarHBondContact OE1-CE 3.39Å; E217-K221 IonicContact OE1-NZ 2.64Å; E217-K221 PolarHBondContact OE1-NZ 3.36Å
218G98.4Very high98.2Very high57 Ų5743.4 Ų43.459%0.58827%0.269SS*.Hα-helixtrans-64.5-43.8176.100000111.6D216 G222D216-G218 VanDerWaalsContact C-N 3.28Å; D216-G218 PolarHBondContact O-N 3.43Å; D216-G218 PolarHBondContact OD1-N 2.81Å; G218-G222 PolarHBondContact O-N 3.5Å; G218-G222 VanDerWaalsContact O-N 3.07Å
219W98.6Very high98.2Very high16 Ų1643 Ų436%0.06127%0.265CS..Iπ-helixtrans-63.7-44173.3-176.587.7000112I168 R171 V214 D216 G222 E223 F224 L227I168-W219 HydrophobicContact CD1-CH2 4.01Å; I168-W219 HydrophobicContact CD1-CZ3 3.82Å; R171-W219 HydrophobicContact CB-CH2 3.9Å; R171-W219 HydrophobicContact CB-CZ2 4.26Å; R171-W219 HydrophobicContact CB-CZ3 4.38Å; R171-W219 HydrophobicContact CG-CE3 4.3Å; R171-W219 HydrophobicContact CG-CH2 3.87Å; R171-W219 HydrophobicContact CG-CZ2 4.15Å; R171-W219 HydrophobicContact CG-CZ3 3.96Å; V214-W219 HydrophobicContact CG1-CE3 3.6Å; V214-W219 HydrophobicContact CG1-CZ3 3.9Å; V214-W219 HydrophobicContact CG2-CZ3 4.31Å; D216-W219 HydrophobicContact CB-CB 3.94Å; D216-W219 PolarHBondContact O-N 2.87Å; D216-W219 PolarHBondContact OD1-N 3.38Å; D216-W219 WeakPolarHBondContact OD2-CB 3.48Å; W219-G222 PolarHBondContact O-N 3.1Å; W219-E223 VanDerWaalsContact CD1-CD 3.49Å; W219-E223 HydrophobicContact CG-CB 4.32Å; W219-E223 PolarHBondContact NE1-OE1 3.26Å; W219-E223 PolarHBondContact O-N 2.87Å; W219-E223 VanDerWaalsContact O-N 3.13Å; W219-F224 HydrophobicContact CD2-CB 4.11Å; W219-F224 HydrophobicContact CE3-CB 3.8Å; W219-F224 HydrophobicContact CH2-CB 3.75Å; W219-F224 AromaticContact CH2-CD2 3.6Å; W219-F224 HydrophobicContact CH2-CD2 3.6Å; W219-F224 AromaticContact CH2-CG 3.97Å; W219-F224 HydrophobicContact CH2-CG 3.97Å; W219-F224 HydrophobicContact CZ2-CB 4.03Å; W219-F224 HydrophobicContact CZ2-CD2 4.32Å; W219-F224 HydrophobicContact CZ3-CB 3.62Å; W219-F224 AromaticContact CZ3-CD2 3.95Å; W219-F224 HydrophobicContact CZ3-CD2 3.95Å; W219-F224 AromaticContact CZ3-CG 3.91Å; W219-F224 HydrophobicContact CZ3-CG 3.91Å; W219-F224 WeakPolarHBondContact O-CB 3.2Å; W219-F224 PolarHBondContact O-N 3.08Å; W219-L227 HydrophobicContact CZ2-CD1 4.41Å
220I98.6Very high98.1Very high6 Ų645.4 Ų45.43%0.03127%0.272CS..Iπ-helixtrans-61.8-48.6-179.5-65.4164.9000111.4I196 Y211 V214 D216 E217 G222I196-I220 HydrophobicContact CD1-CD1 4.04Å; I196-I220 HydrophobicContact CD1-CG1 3.85Å; I196-I220 HydrophobicContact CD1-CG2 3.96Å; I196-I220 HydrophobicContact CG1-CG2 3.92Å; Y211-I220 HydrophobicContact CD1-CD1 3.79Å; Y211-I220 HydrophobicContact CD2-CD1 4.24Å; Y211-I220 HydrophobicContact CE1-CD1 4.12Å; Y211-I220 HydrophobicContact CE1-CG2 4.05Å; Y211-I220 HydrophobicContact CE2-CG2 3.81Å; Y211-I220 HydrophobicContact CG-CD1 3.87Å; V214-I220 HydrophobicContact CB-CD1 4.07Å; V214-I220 HydrophobicContact CB-CG1 4.31Å; V214-I220 HydrophobicContact CG1-CD1 3.93Å; V214-I220 HydrophobicContact CG1-CG1 3.75Å; D216-I220 VanDerWaalsContact O-CG1 3.24Å; D216-I220 WeakPolarHBondContact O-CG1 3.44Å; D216-I220 PolarHBondContact O-N 3.03Å; E217-I220 PolarHBondContact O-N 3.32Å; I220-G222 VanDerWaalsContact C-N 3.34Å
221K98Very high98.1Very high61 Ų6150.6 Ų50.627%0.26529%0.292SS..Iπ-helixtrans-81.4-11.6-175.3-69.5-173.9168.1173.30114E217 F310E217-K221 HydrophobicContact CG-CD 3.92Å; E217-K221 HydrophobicContact CG-CG 4.24Å; E217-K221 WeakPolarHBondContact O-CB 3.3Å; E217-K221 PolarHBondContact O-N 2.98Å; E217-K221 WeakPolarHBondContact OE1-CE 3.39Å; E217-K221 IonicContact OE1-NZ 2.64Å; E217-K221 PolarHBondContact OE1-NZ 3.36Å; K221-F310 HydrophobicContact CB-CE1 4.11Å; K221-F310 HydrophobicContact CB-CE2 4.02Å; K221-F310 HydrophobicContact CB-CZ 3.65Å; K221-F310 HydrophobicContact CD-CD1 4.16Å; K221-F310 HydrophobicContact CD-CD2 4.17Å; K221-F310 HydrophobicContact CD-CE1 4.24Å; K221-F310 HydrophobicContact CD-CE2 4.23Å; K221-F310 HydrophobicContact CD-CG 4.12Å; K221-F310 HydrophobicContact CD-CZ 4.27Å; K221-F310 HydrophobicContact CG-CD1 4.1Å; K221-F310 HydrophobicContact CG-CE1 3.72Å; K221-F310 HydrophobicContact CG-CE2 4.21Å; K221-F310 HydrophobicContact CG-CG 4.5Å; K221-F310 HydrophobicContact CG-CZ 3.78Å
222G98.3Very high98Very high30 Ų3050 Ų5031%0.30930%0.296SS..Iπ-helixtrans-120.8-83-17800000113.3G218 W219 I220 F224 I225 T226G218-G222 PolarHBondContact O-N 3.5Å; G218-G222 VanDerWaalsContact O-N 3.07Å; W219-G222 PolarHBondContact O-N 3.1Å; I220-G222 VanDerWaalsContact C-N 3.34Å; G222-F224 PolarHBondContact O-N 3.28Å; G222-I225 PolarHBondContact O-N 2.89Å; G222-T226 PolarHBondContact O-N 2.88Å; G222-T226 PolarHBondContact O-OG1 2.63Å; G222-T226 VanDerWaalsContact O-OG1 3.07Å
223E98.2Very high97.8Very high109 Ų10949.5 Ų49.551%0.50929%0.291SS..Iπ-helixtrans-62.4-45.3-169.3-168.2-171.4142.800112.3W219 I225 T226 L227W219-E223 VanDerWaalsContact CD1-CD 3.49Å; W219-E223 HydrophobicContact CG-CB 4.32Å; W219-E223 PolarHBondContact NE1-OE1 3.26Å; W219-E223 PolarHBondContact O-N 2.87Å; W219-E223 VanDerWaalsContact O-N 3.13Å; E223-I225 PolarHBondContact O-N 3.29Å; E223-T226 PolarHBondContact O-N 3.16Å; E223-L227 HydrophobicContact CG-CD1 3.9Å; E223-L227 HydrophobicContact CG-CG 4.12Å; E223-L227 WeakPolarHBondContact O-CB 3.44Å; E223-L227 VanDerWaalsContact O-CG 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.25Å; E223-L227 PolarHBondContact O-N 3.49Å
224F98.7Very high97.8Very high1 Ų152.4 Ų52.40%0.00430%0.302CS..Iπ-helixtrans-56.2-50.5179.6168.7-113.3000112.5A164 M167 I168 P194 I196 W219 G222 T226 L227 V228A164-F224 HydrophobicContact CB-CE2 4.27Å; A164-F224 HydrophobicContact CB-CZ 3.9Å; M167-F224 HydrophobicContact CB-CD2 4.26Å; M167-F224 HydrophobicContact CB-CE2 4.1Å; I168-F224 HydrophobicContact CD1-CD2 3.94Å; I168-F224 HydrophobicContact CD1-CE2 3.65Å; I168-F224 HydrophobicContact CD1-CZ 3.99Å; I168-F224 HydrophobicContact CG1-CE2 3.96Å; I168-F224 HydrophobicContact CG1-CZ 4.19Å; P194-F224 HydrophobicContact CB-CE1 3.74Å; P194-F224 HydrophobicContact CB-CZ 3.92Å; I196-F224 HydrophobicContact CG2-CE1 3.63Å; I196-F224 HydrophobicContact CG2-CZ 3.63Å; W219-F224 HydrophobicContact CD2-CB 4.11Å; W219-F224 HydrophobicContact CE3-CB 3.8Å; W219-F224 HydrophobicContact CH2-CB 3.75Å; W219-F224 AromaticContact CH2-CD2 3.6Å; W219-F224 HydrophobicContact CH2-CD2 3.6Å; W219-F224 AromaticContact CH2-CG 3.97Å; W219-F224 HydrophobicContact CH2-CG 3.97Å; W219-F224 HydrophobicContact CZ2-CB 4.03Å; W219-F224 HydrophobicContact CZ2-CD2 4.32Å; W219-F224 HydrophobicContact CZ3-CB 3.62Å; W219-F224 AromaticContact CZ3-CD2 3.95Å; W219-F224 HydrophobicContact CZ3-CD2 3.95Å; W219-F224 AromaticContact CZ3-CG 3.91Å; W219-F224 HydrophobicContact CZ3-CG 3.91Å; W219-F224 WeakPolarHBondContact O-CB 3.2Å; W219-F224 PolarHBondContact O-N 3.08Å; G222-F224 PolarHBondContact O-N 3.28Å; F224-T226 VanDerWaalsContact C-N 3.31Å; F224-T226 PolarHBondContact O-N 3.17Å; F224-L227 PolarHBondContact O-N 3.01Å; F224-V228 HydrophobicContact CD2-CG2 4.23Å; F224-V228 HydrophobicContact CE2-CG2 3.79Å; F224-V228 HydrophobicContact CZ-CG2 4.12Å; F224-V228 WeakPolarHBondContact O-CG2 3.37Å; F224-V228 PolarHBondContact O-N 2.98Å; F224-V228 VanDerWaalsContact O-N 3.08Å
225I98.7Very high97.8Very high9 Ų953.1 Ų53.15%0.04631%0.305CS..Hα-helixtrans-58.2-47.8178.5-67.3173.7000109.8F193 G222 E223 L227 V228 Q229 F310F193-I225 HydrophobicContact CD2-CD1 3.97Å; F193-I225 HydrophobicContact CD2-CG1 4.45Å; F193-I225 HydrophobicContact CE2-CD1 3.82Å; F193-I225 HydrophobicContact CE2-CG1 4.47Å; G222-I225 PolarHBondContact O-N 2.89Å; E223-I225 PolarHBondContact O-N 3.29Å; I225-L227 PolarHBondContact O-N 2.68Å; I225-V228 PolarHBondContact O-N 3.39Å; I225-Q229 HydrophobicContact CG2-CG 4.29Å; I225-Q229 VanDerWaalsContact CG2-NE2 3.31Å; I225-Q229 WeakPolarHBondContact O-CB 3.3Å; I225-Q229 VanDerWaalsContact O-CG 3.26Å; I225-Q229 WeakPolarHBondContact O-CG 3.44Å; I225-Q229 PolarHBondContact O-N 2.81Å; I225-F310 HydrophobicContact CD1-CE1 3.96Å; I225-F310 HydrophobicContact CD1-CZ 3.74Å
226T98.3Very high97.6Very high56 Ų5654.2 Ų54.234%0.34430%0.295SS..Hα-helixtrans-62-41.7179.6-58.80000112G222 E223 F224 Q229 K230G222-T226 PolarHBondContact O-N 2.88Å; G222-T226 PolarHBondContact O-OG1 2.63Å; G222-T226 VanDerWaalsContact O-OG1 3.07Å; E223-T226 PolarHBondContact O-N 3.16Å; F224-T226 VanDerWaalsContact C-N 3.31Å; F224-T226 PolarHBondContact O-N 3.17Å; T226-Q229 PolarHBondContact O-N 3.26Å; T226-K230 HydrophobicContact CG2-CD 3.76Å; T226-K230 HydrophobicContact CG2-CG 4.34Å; T226-K230 WeakPolarHBondContact O-CB 3.45Å; T226-K230 WeakPolarHBondContact O-CG 3.24Å; T226-K230 PolarHBondContact O-N 2.92Å
227L98Very high97.6Very high66 Ų6657.9 Ų57.935%0.34631%0.308SS..Hα-helixtrans-62-44.4179.3-77.8171.6000111.5M167 W219 E223 F224 I225 R231M167-L227 HydrophobicContact CE-CB 3.99Å; M167-L227 HydrophobicContact SD-CB 3.75Å; W219-L227 HydrophobicContact CZ2-CD1 4.41Å; E223-L227 HydrophobicContact CG-CD1 3.9Å; E223-L227 HydrophobicContact CG-CG 4.12Å; E223-L227 WeakPolarHBondContact O-CB 3.44Å; E223-L227 VanDerWaalsContact O-CG 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.25Å; E223-L227 PolarHBondContact O-N 3.49Å; F224-L227 PolarHBondContact O-N 3.01Å; I225-L227 PolarHBondContact O-N 2.68Å; L227-R231 WeakPolarHBondContact O-CA 3.33Å; L227-R231 WeakPolarHBondContact O-CB 3.09Å; L227-R231 PolarHBondContact O-N 3.04Å
228V98.4Very high97.6Very high0 Ų061 Ų610%032%0.32CS..Hα-helixtrans-66.6-51.2177.51790000110.2D160 R163 A164 M167 P194 F224 I225 K230 R231D160-V228 HydrophobicContact CB-CG1 4.4Å; R163-V228 HydrophobicContact CB-CG1 4.46Å; A164-V228 HydrophobicContact CB-CG2 4.24Å; M167-V228 HydrophobicContact CE-CG2 4.3Å; M167-V228 HydrophobicContact SD-CB 4.4Å; M167-V228 HydrophobicContact SD-CG2 3.44Å; M167-V228 WeakPolarHBondContact SD-CG2 3.47Å; P194-V228 HydrophobicContact CB-CB 4.21Å; P194-V228 HydrophobicContact CB-CG1 4.18Å; P194-V228 HydrophobicContact CB-CG2 4.08Å; P194-V228 HydrophobicContact CG-CB 3.56Å; P194-V228 HydrophobicContact CG-CG1 3.62Å; P194-V228 HydrophobicContact CG-CG2 3.97Å; F224-V228 HydrophobicContact CD2-CG2 4.23Å; F224-V228 HydrophobicContact CE2-CG2 3.79Å; F224-V228 HydrophobicContact CZ-CG2 4.12Å; F224-V228 WeakPolarHBondContact O-CG2 3.37Å; F224-V228 PolarHBondContact O-N 2.98Å; F224-V228 VanDerWaalsContact O-N 3.08Å; I225-V228 PolarHBondContact O-N 3.39Å; V228-K230 VanDerWaalsContact C-N 3.28Å; V228-K230 PolarHBondContact O-N 3.44Å; V228-R231 WeakPolarHBondContact O-CB 3.49Å; V228-R231 PolarHBondContact O-N 2.96Å; V228-R231 VanDerWaalsContact O-N 3.16Å
229Q98Very high97.5Very high54 Ų5464.4 Ų64.425%0.25232%0.315SS..Hα-helixtrans-56.2-39.8-179.6-74171.3-1600112.4A190 Q192 I225 T226A190-Q229 WeakPolarHBondContact O-CG 3.32Å; A190-Q229 PolarHBondContact O-NE2 3.21Å; A190-Q229 VanDerWaalsContact O-NE2 3.07Å; Q192-Q229 HydrophobicContact CG-CG 3.87Å; Q192-Q229 PolarHBondContact O-NE2 2.8Å; I225-Q229 HydrophobicContact CG2-CG 4.29Å; I225-Q229 VanDerWaalsContact CG2-NE2 3.31Å; I225-Q229 WeakPolarHBondContact O-CB 3.3Å; I225-Q229 VanDerWaalsContact O-CG 3.26Å; I225-Q229 WeakPolarHBondContact O-CG 3.44Å; I225-Q229 PolarHBondContact O-N 2.81Å; T226-Q229 PolarHBondContact O-N 3.26Å
230K97.1Very high97.3Very high125 Ų12571.5 Ų71.554%0.54335%0.346SS..Hα-helixtrans-95.11.4-177.1-62.8-176.5-178.4173.10114.1T226 V228 G232 A233 E234T226-K230 HydrophobicContact CG2-CD 3.76Å; T226-K230 HydrophobicContact CG2-CG 4.34Å; T226-K230 WeakPolarHBondContact O-CB 3.45Å; T226-K230 WeakPolarHBondContact O-CG 3.24Å; T226-K230 PolarHBondContact O-N 2.92Å; V228-K230 VanDerWaalsContact C-N 3.28Å; V228-K230 PolarHBondContact O-N 3.44Å; K230-G232 VanDerWaalsContact C-N 3.26Å; K230-G232 PolarHBondContact O-N 2.9Å; K230-A233 PolarHBondContact O-N 3.44Å; K230-E234 PolarHBondContact O-N 2.93Å; K230-E234 VanDerWaalsContact O-N 3.15Å
231R97.8Very high97Very high109 Ų10975.7 Ų75.741%0.41137%0.368SS..Hα-helixtrans-58.7-36.9-172.7-171.455.9173.4-173.7-0113.4R163 M167 L227 V228 E234 I235R163-R231 HydrophobicContact CG-CB 4.47Å; R163-R231 HydrophobicContact CG-CG 3.97Å; M167-R231 HydrophobicContact CE-CB 4.2Å; M167-R231 HydrophobicContact CE-CG 4.05Å; L227-R231 WeakPolarHBondContact O-CA 3.33Å; L227-R231 WeakPolarHBondContact O-CB 3.09Å; L227-R231 PolarHBondContact O-N 3.04Å; V228-R231 WeakPolarHBondContact O-CB 3.49Å; V228-R231 PolarHBondContact O-N 2.96Å; V228-R231 VanDerWaalsContact O-N 3.16Å; R231-E234 PolarHBondContact O-N 3.04Å; R231-I235 HydrophobicContact CG-CD1 4.2Å; R231-I235 WeakPolarHBondContact O-CG1 3.42Å; R231-I235 PolarHBondContact O-N 3.33Å; R231-I235 VanDerWaalsContact O-N 3.11Å
232G95Very high96.8Very high19 Ų1975.7 Ų75.720%0.19638%0.375CS..Hα-helixtrans-61-46.1176.700000112.6K230 E234 I235 I236K230-G232 VanDerWaalsContact C-N 3.26Å; K230-G232 PolarHBondContact O-N 2.9Å; G232-E234 PolarHBondContact O-N 2.88Å; G232-I235 PolarHBondContact O-N 2.93Å; G232-I236 WeakPolarHBondContact O-CG1 3.38Å; G232-I236 PolarHBondContact O-N 2.88Å
233A95.3Very high96.7Very high61 Ų6175 Ų7550%0.50437%0.366SS..Hα-helixtrans-63.7-40.9178.700000111.8K230 I235 I236 K237K230-A233 PolarHBondContact O-N 3.44Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-I235 PolarHBondContact O-N 3.04Å; A233-I236 PolarHBondContact O-N 2.61Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 2.77Å
234E97.2Very high96.6Very high77 Ų7770 Ų7036%0.3634%0.344SS..Hα-helixtrans-64-37.1176.3-71.8-56124.600112.8K230 R231 G232 K238K230-E234 PolarHBondContact O-N 2.93Å; K230-E234 VanDerWaalsContact O-N 3.15Å; R231-E234 PolarHBondContact O-N 3.04Å; G232-E234 PolarHBondContact O-N 2.88Å; E234-K238 WeakPolarHBondContact O-CG 3.39Å; E234-K238 PolarHBondContact O-N 2.77Å
235I97.3Very high96.6Very high31 Ų3176.5 Ų76.516%0.15938%0.375CS..Hα-helixtrans-66.6-44.9174.5-67.2167.2000110.6R231 G232 A233 K237 K238 R239R231-I235 HydrophobicContact CG-CD1 4.2Å; R231-I235 WeakPolarHBondContact O-CG1 3.42Å; R231-I235 PolarHBondContact O-N 3.33Å; R231-I235 VanDerWaalsContact O-N 3.11Å; G232-I235 PolarHBondContact O-N 2.93Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-I235 PolarHBondContact O-N 3.04Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 3.01Å; I235-K238 PolarHBondContact O-N 2.9Å; I235-R239 HydrophobicContact CG2-CG 4.33Å; I235-R239 WeakPolarHBondContact O-CB 3.45Å; I235-R239 PolarHBondContact O-N 3.07Å
236I95.3Very high96.6Very high88 Ų8878 Ų7845%0.45139%0.387SS..Hα-helixtrans-60.5-44.5177.4-69.5166.1000110.5G232 A233 K238 K240G232-I236 WeakPolarHBondContact O-CG1 3.38Å; G232-I236 PolarHBondContact O-N 2.88Å; A233-I236 PolarHBondContact O-N 2.61Å; I236-K238 VanDerWaalsContact C-N 3.25Å; I236-K238 PolarHBondContact O-N 3.4Å; I236-K240 WeakPolarHBondContact O-CA 3.31Å; I236-K240 PolarHBondContact O-N 2.96Å
237K96.6Very high96.6Very high138 Ų13875.7 Ų75.760%0.637%0.373SS*.Hα-helixtrans-54.9-42.5178-177.7178.5177.5-179.10112A233 I235 K240A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 2.77Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 3.01Å; K237-K240 PolarHBondContact O-NZ 3.46Å
238K97.5Very high96.6Very high169 Ų16972.5 Ų72.574%0.73536%0.357SS*.Hα-helixtrans-81.2-45.5-177.9-70.5179-179-75.10113.9E234 I235 I236E234-K238 WeakPolarHBondContact O-CG 3.39Å; E234-K238 PolarHBondContact O-N 2.77Å; I235-K238 PolarHBondContact O-N 2.9Å; I236-K238 VanDerWaalsContact C-N 3.25Å; I236-K238 PolarHBondContact O-N 3.4Å
239R96.5Very high96.7Very high127 Ų12776.6 Ų76.648%0.47937%0.374SS..Hα-helixtrans-93.4-15-173.8-68.4-175.768.3-136.32.8114.3I235 L241 S242I235-R239 HydrophobicContact CG2-CG 4.33Å; I235-R239 WeakPolarHBondContact O-CB 3.45Å; I235-R239 PolarHBondContact O-N 3.07Å; R239-L241 PolarHBondContact O-N 3.14Å; R239-S242 PolarHBondContact NH1-O 3.05Å
240K95.5Very high96.7Very high165 Ų16574 Ų7472%0.71736%0.362SS*.SBendtrans59.85.3-166.9-50.4-53.6-175.1-166.60114.8I236 K237I236-K240 WeakPolarHBondContact O-CA 3.31Å; I236-K240 PolarHBondContact O-N 2.96Å; K237-K240 PolarHBondContact O-NZ 3.46Å
241L92.1Very high96.8Very high95 Ų9568 Ų6850%0.49734%0.336SS..SBendtrans-130.4154.3179.6-67.1171.9000109.4R239R239-L241 PolarHBondContact O-N 3.14Å
242S92.2Very high96.8Very high60 Ų6063 Ų6342%0.4232%0.318SS..  trans-63163.7174.868.30000111.8R239 A244R239-S242 PolarHBondContact NH1-O 3.05Å; S242-A244 PolarHBondContact O-N 3.47Å
243S96.5Very high97Very high16 Ų1663.6 Ų63.611%0.11232%0.316CS..  trans-79.150.5-177.164.80000112.9R163 M245 S246 A247R163-S243 PolarHBondContact NH2-OG 3.21Å; S243-M245 PolarHBondContact O-N 2.84Å; S243-S246 WeakPolarHBondContact CB-OG 3.13Å; S243-S246 PolarHBondContact O-N 2.82Å; S243-S246 PolarHBondContact O-OG 2.85Å; S243-A247 WeakPolarHBondContact O-CB 3.4Å; S243-A247 PolarHBondContact O-N 2.89Å
244A97.3Very high97.2Very high5 Ų560.7 Ų60.74%0.04129%0.293CS..Hα-helixtrans-55.7-50.5-169.400000113.5Q15 I16 S242 S246 A247 A248Q15-A244 HydrophobicContact CB-CB 3.77Å; I16-A244 HydrophobicContact CG1-CB 4.05Å; S242-A244 PolarHBondContact O-N 3.47Å; A244-S246 PolarHBondContact O-N 3.21Å; A244-A247 PolarHBondContact O-N 2.74Å; A244-A248 WeakPolarHBondContact O-CB 3.47Å; A244-A248 PolarHBondContact O-N 3.44Å
245M97.9Very high97.3Very high136 Ų13657 Ų5767%0.6728%0.276SS*.Hα-helixtrans-54.6-51.4178.1-179.7-167.7-6900112.3S243 A247 A248 K249S243-M245 PolarHBondContact O-N 2.84Å; M245-A247 VanDerWaalsContact C-N 3.34Å; M245-A247 PolarHBondContact O-N 2.62Å; M245-A248 PolarHBondContact O-N 3Å; M245-K249 WeakPolarHBondContact O-CB 3.18Å; M245-K249 PolarHBondContact O-N 3.41Å
246S98.6Very high97.3Very high42 Ų4260.6 Ų60.629%0.29429%0.287SS..Hα-helixtrans-68.8-32.7-179.753.40000112.8S243 A244 A250S243-S246 WeakPolarHBondContact CB-OG 3.13Å; S243-S246 PolarHBondContact O-N 2.82Å; S243-S246 PolarHBondContact O-OG 2.85Å; A244-S246 PolarHBondContact O-N 3.21Å; S246-A250 WeakPolarHBondContact O-CB 3.3Å; S246-A250 PolarHBondContact O-N 3.47Å
247A98.6Very high97.5Very high6 Ų657.1 Ų57.15%0.0527%0.27CS..Hα-helixtrans-67.5-44.4175.500000111.2I16 L159 S243 A244 M245 A250 A251I16-A247 HydrophobicContact CD1-CB 4.07Å; I16-A247 HydrophobicContact CG1-CB 4.21Å; I16-A247 HydrophobicContact CG2-CB 4.49Å; L159-A247 HydrophobicContact CD2-CB 4.03Å; S243-A247 WeakPolarHBondContact O-CB 3.4Å; S243-A247 PolarHBondContact O-N 2.89Å; A244-A247 PolarHBondContact O-N 2.74Å; M245-A247 VanDerWaalsContact C-N 3.34Å; M245-A247 PolarHBondContact O-N 2.62Å; A247-A250 PolarHBondContact O-N 3.2Å; A247-A251 PolarHBondContact O-N 3Å
248A98.8Very high97.5Very high0 Ų050.6 Ų50.60%024%0.241CC..Hα-helixtrans-60.5-47.6175.200000112I16 C19 I20 A244 M245 A250 A251 C252I16-A248 HydrophobicContact CG2-CB 4.45Å; C19-A248 HydrophobicContact CB-CB 3.29Å; I20-A248 HydrophobicContact CB-CB 4.46Å; I20-A248 HydrophobicContact CD1-CB 4.47Å; I20-A248 HydrophobicContact CG1-CB 3.49Å; I20-A248 VanDerWaalsContact CG1-CB 3.49Å; A244-A248 WeakPolarHBondContact O-CB 3.47Å; A244-A248 PolarHBondContact O-N 3.44Å; M245-A248 PolarHBondContact O-N 3Å; A248-A250 VanDerWaalsContact C-N 3.28Å; A248-A250 PolarHBondContact O-N 2.8Å; A248-A251 PolarHBondContact O-N 3.05Å; A248-C252 WeakPolarHBondContact O-CB 3.33Å; A248-C252 PolarHBondContact O-N 3.34Å; A248-C252 PolarHBondContact O-SG 3.08Å
249K98.7Very high97.6Very high85 Ų8543.5 Ų43.537%0.3721%0.211SC..Hα-helixtrans-58.2-40.3174.5177.3-87.7126.495.60111.7N162 M245 D253N162-K249 WeakPolarHBondContact ND2-CE 3.31Å; M245-K249 WeakPolarHBondContact O-CB 3.18Å; M245-K249 PolarHBondContact O-N 3.41Å; K249-D253 WeakPolarHBondContact CE-OD1 3.45Å; K249-D253 WeakPolarHBondContact CE-OD2 3.33Å; K249-D253 IonicContact NZ-OD1 3.87Å; K249-D253 PolarHBondContact NZ-OD1 3Å; K249-D253 IonicContact NZ-OD2 2.61Å; K249-D253 PolarHBondContact NZ-OD2 3.41Å; K249-D253 VanDerWaalsContact O-CB 3.27Å; K249-D253 WeakPolarHBondContact O-CB 3.5Å; K249-D253 PolarHBondContact O-N 2.88Å
250A98.9Very high97.6Very high0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-68.6-38.317700000113.3M156 R158 L159 S246 A247 A248 D253 H254M156-A250 HydrophobicContact SD-CB 3.98Å; R158-A250 HydrophobicContact CB-CB 4.28Å; R158-A250 HydrophobicContact CG-CB 4.3Å; R158-A250 VanDerWaalsContact CG-O 3.3Å; R158-A250 WeakPolarHBondContact CG-O 3.39Å; L159-A250 VanDerWaalsContact CA-CB 3.48Å; L159-A250 HydrophobicContact CB-CB 3.66Å; L159-A250 HydrophobicContact CD1-CB 4.26Å; S246-A250 WeakPolarHBondContact O-CB 3.3Å; S246-A250 PolarHBondContact O-N 3.47Å; A247-A250 PolarHBondContact O-N 3.2Å; A248-A250 VanDerWaalsContact C-N 3.28Å; A248-A250 PolarHBondContact O-N 2.8Å; A250-D253 WeakPolarHBondContact O-CB 3.29Å; A250-D253 PolarHBondContact O-N 3.43Å; A250-H254 WeakPolarHBondContact O-CB 3.4Å; A250-H254 PolarHBondContact O-N 3.49Å
251A98.9Very high97.7Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-64.7-44.8176.100000110.8I20 F85 I127 V129 M156 A247 A248 H254 M255I20-A251 HydrophobicContact CD1-CB 3.82Å; I20-A251 HydrophobicContact CG1-CB 4.44Å; F85-A251 HydrophobicContact CD1-CB 4.08Å; F85-A251 HydrophobicContact CE1-CB 4.05Å; I127-A251 HydrophobicContact CD1-CB 4.24Å; V129-A251 HydrophobicContact CG2-CB 3.97Å; M156-A251 WeakPolarHBondContact SD-CA 3.46Å; M156-A251 HydrophobicContact SD-CB 3.58Å; M156-A251 VanDerWaalsContact SD-CB 3.58Å; M156-A251 PolarHBondContact SD-N 3.43Å; A247-A251 PolarHBondContact O-N 3Å; A248-A251 PolarHBondContact O-N 3.05Å; A251-H254 WeakPolarHBondContact O-CB 3.23Å; A251-H254 PolarHBondContact O-N 2.89Å; A251-M255 PolarHBondContact O-N 3.32Å
252C98.9Very high98Very high4 Ų429.9 Ų29.93%0.02717%0.165CC..Hα-helixtrans-64-44177.2-65.10000111.6Q23 V29 A248 H254 M255 R256Q23-C252 HydrophobicContact CB-CB 4.36Å; Q23-C252 VanDerWaalsContact CB-SG 3.55Å; V29-C252 HydrophobicContact CG2-CB 3.54Å; A248-C252 WeakPolarHBondContact O-CB 3.33Å; A248-C252 PolarHBondContact O-N 3.34Å; A248-C252 PolarHBondContact O-SG 3.08Å; C252-H254 PolarHBondContact O-N 2.94Å; C252-M255 PolarHBondContact O-N 2.99Å; C252-R256 VanDerWaalsContact O-CB 3.27Å; C252-R256 WeakPolarHBondContact O-CB 3.33Å; C252-R256 PolarHBondContact O-N 3.18Å
253D98.7Very high98.1Very high30 Ų3031.1 Ų31.116%0.1617%0.172CC..Hα-helixtrans-57.3-45.4172.9-102.631.4000112.8R158 N162 K249 A250 T257R158-D253 HydrophobicContact CG-CB 4.03Å; R158-D253 IonicContact CZ-OD2 2.92Å; R158-D253 IonicContact NE-OD2 2.77Å; R158-D253 PolarHBondContact NH1-O 3.24Å; R158-D253 IonicContact NH2-OD2 2.66Å; R158-D253 PolarHBondContact NH2-OD2 3.06Å; R158-D253 VanDerWaalsContact NH2-OD2 3.15Å; N162-D253 PolarHBondContact ND2-OD2 3.46Å; K249-D253 WeakPolarHBondContact CE-OD1 3.45Å; K249-D253 WeakPolarHBondContact CE-OD2 3.33Å; K249-D253 IonicContact NZ-OD1 3.87Å; K249-D253 PolarHBondContact NZ-OD1 3Å; K249-D253 IonicContact NZ-OD2 2.61Å; K249-D253 PolarHBondContact NZ-OD2 3.41Å; K249-D253 VanDerWaalsContact O-CB 3.27Å; K249-D253 WeakPolarHBondContact O-CB 3.5Å; K249-D253 PolarHBondContact O-N 2.88Å; A250-D253 WeakPolarHBondContact O-CB 3.29Å; A250-D253 PolarHBondContact O-N 3.43Å; D253-T257 WeakPolarHBondContact O-CB 3.4Å; D253-T257 PolarHBondContact O-N 2.98Å; D253-T257 PolarHBondContact O-OG1 3.22Å; D253-T257 VanDerWaalsContact O-OG1 3.05Å
254H98.9Very high98.1Very high1 Ų139.7 Ų39.71%0.00521%0.21CC..Hα-helixtrans-60.3-51.8179.3178.7120.3000110.2I127 S154 R158 A250 A251 C252 T257 W258 M270I127-H254 HydrophobicContact CD1-CB 3.64Å; I127-H254 VanDerWaalsContact CD1-CD2 3.44Å; I127-H254 WeakPolarHBondContact CD1-CD2 3.44Å; I127-H254 VanDerWaalsContact CD1-CG 3.45Å; S154-H254 PolarHBondContact OG-NE2 3.33Å; R158-H254 HydrophobicContact CB-CB 3.91Å; R158-H254 HydrophobicContact CG-CB 4.12Å; A250-H254 WeakPolarHBondContact O-CB 3.4Å; A250-H254 PolarHBondContact O-N 3.49Å; A251-H254 WeakPolarHBondContact O-CB 3.23Å; A251-H254 PolarHBondContact O-N 2.89Å; C252-H254 PolarHBondContact O-N 2.94Å; H254-T257 PolarHBondContact O-N 3.23Å; H254-W258 AromaticContact NE2-CE3 3.96Å; H254-W258 PolarHBondContact O-N 3.07Å; H254-M270 VanDerWaalsContact CE1-CG 3.49Å; H254-M270 WeakPolarHBondContact CE1-CG 3.38Å; H254-M270 VanDerWaalsContact NE2-CE 3.26Å; H254-M270 WeakPolarHBondContact NE2-CE 3.44Å
255M98.8Very high98Very high0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-68-38.7-179.2-171.758.466.400112.1V29 V83 F85 R125 I127 A251 C252 W258 L259V29-M255 HydrophobicContact CG1-CB 3.78Å; V29-M255 HydrophobicContact CG1-CG 3.53Å; V83-M255 HydrophobicContact CG1-CE 3.67Å; V83-M255 HydrophobicContact CG1-CG 3.79Å; V83-M255 HydrophobicContact CG1-SD 3.69Å; F85-M255 HydrophobicContact CE1-CB 3.99Å; F85-M255 HydrophobicContact CE2-CB 4.4Å; F85-M255 HydrophobicContact CE2-CG 4.13Å; F85-M255 HydrophobicContact CZ-CB 3.52Å; F85-M255 HydrophobicContact CZ-CG 3.72Å; R125-M255 HydrophobicContact CB-CE 4.45Å; R125-M255 HydrophobicContact CB-SD 4.25Å; I127-M255 HydrophobicContact CB-CE 3.84Å; I127-M255 HydrophobicContact CG2-CE 3.64Å; A251-M255 PolarHBondContact O-N 3.32Å; C252-M255 PolarHBondContact O-N 2.99Å; M255-W258 HydrophobicContact CE-CE3 4.19Å; M255-W258 PolarHBondContact O-N 2.9Å; M255-W258 HydrophobicContact SD-CE3 4.25Å; M255-L259 HydrophobicContact CG-CD1 3.84Å; M255-L259 HydrophobicContact CG-CG 4.3Å; M255-L259 WeakPolarHBondContact O-CB 3.37Å; M255-L259 VanDerWaalsContact O-CG 3.31Å; M255-L259 WeakPolarHBondContact O-CG 3.31Å; M255-L259 PolarHBondContact O-N 3.18Å; M255-L259 HydrophobicContact SD-CD1 4.11Å; M255-L259 HydrophobicContact SD-CG 4.08Å
256R98.5Very high98Very high106 Ų10636.6 Ų36.640%0.421%0.207SC..Hα-helixtrans-56.6-52.1172.4174.5-175.1-92.6-171.60110.6D28 C252 W258 L259 S260D28-R256 PolarHBondContact O-NE 3.37Å; D28-R256 PolarHBondContact O-NH2 2.85Å; C252-R256 VanDerWaalsContact O-CB 3.27Å; C252-R256 WeakPolarHBondContact O-CB 3.33Å; C252-R256 PolarHBondContact O-N 3.18Å; R256-W258 PolarHBondContact O-N 2.9Å; R256-L259 PolarHBondContact O-N 3.07Å; R256-L259 VanDerWaalsContact O-N 3.16Å; R256-S260 WeakPolarHBondContact O-CB 3.45Å; R256-S260 PolarHBondContact O-N 2.56Å; R256-S260 PolarHBondContact O-OG 2.59Å
257T98.4Very high97.9Very high14 Ų1437 Ų379%0.08620%0.202CC..Hα-helixtrans-60.3-37.7178.8-62.20000111.5R158 D253 H254 G261 T262 V268 V292R158-T257 PolarHBondContact NH1-OG1 2.97Å; R158-T257 PolarHBondContact NH2-OG1 3.29Å; D253-T257 WeakPolarHBondContact O-CB 3.4Å; D253-T257 PolarHBondContact O-N 2.98Å; D253-T257 PolarHBondContact O-OG1 3.22Å; D253-T257 VanDerWaalsContact O-OG1 3.05Å; H254-T257 PolarHBondContact O-N 3.23Å; T257-G261 CarbonylContact O-C 3.55Å; T257-G261 VanDerWaalsContact O-CA 3.28Å; T257-G261 WeakPolarHBondContact O-CA 3.37Å; T257-G261 PolarHBondContact O-N 2.96Å; T257-T262 HydrophobicContact CG2-CG2 3.44Å; T257-T262 VanDerWaalsContact CG2-CG2 3.44Å; T257-V268 HydrophobicContact CG2-CG1 4.03Å; T257-V268 HydrophobicContact CG2-CG2 3.75Å; T257-V292 HydrophobicContact CG2-CG2 4.27Å
258W98.5Very high97.9Very high1 Ų137.2 Ų37.20%0.00420%0.203CC..Hα-helixtrans-66.3-39.1176.5-162.9-3.7000112.8R125 V126 R151 N152 S154 H254 M255 R256 M270 V292 R297 W299R125-W258 HydrophobicContact CB-CE3 4.41Å; R125-W258 HydrophobicContact CB-CH2 4.46Å; R125-W258 HydrophobicContact CB-CZ3 4.34Å; R125-W258 HydrophobicContact CG-CD2 4.39Å; R125-W258 HydrophobicContact CG-CZ2 4.14Å; V126-W258 WeakPolarHBondContact O-CZ3 3.18Å; R151-W258 WeakPolarHBondContact O-CZ2 3.46Å; N152-W258 VanDerWaalsContact C-CH2 3.46Å; N152-W258 VanDerWaalsContact O-CH2 3.31Å; N152-W258 WeakPolarHBondContact O-CH2 3.38Å; S154-W258 WeakPolarHBondContact OG-CZ3 3.19Å; H254-W258 AromaticContact NE2-CE3 3.96Å; H254-W258 PolarHBondContact O-N 3.07Å; M255-W258 HydrophobicContact CE-CE3 4.19Å; M255-W258 PolarHBondContact O-N 2.9Å; M255-W258 HydrophobicContact SD-CE3 4.25Å; R256-W258 PolarHBondContact O-N 2.9Å; W258-M270 HydrophobicContact CB-CE 4.42Å; W258-M270 HydrophobicContact CD2-CE 3.82Å; W258-M270 HydrophobicContact CE3-CE 3.82Å; W258-M270 HydrophobicContact CG-CE 4.12Å; W258-M270 HydrophobicContact CZ3-CE 4.3Å; W258-V292 WeakPolarHBondContact O-CG1 3.43Å; W258-R297 VanDerWaalsContact CD1-O 3.32Å; W258-R297 PolarHBondContact NE1-O 3.07Å; W258-R297 WeakPolarHBondContact O-CB 3.46Å; W258-W299 AromaticContact CE2-CD1 3.86Å; W258-W299 AromaticContact CZ2-CD1 3.85Å; W258-W299 AromaticContact CZ2-NE1 3.91Å; W258-W299 AromaticContact NE1-CD1 3.72Å
259L97.7Very high98Very high21 Ų2137.2 Ų37.211%0.1120%0.203CC..Hα-helixtrans-83.6-25.8-177.2-66.6173.8000113.9V29 L30 V83 M255 R256V29-L259 HydrophobicContact CG1-CD1 4.22Å; L30-L259 HydrophobicContact CD2-CD1 4.42Å; L30-L259 HydrophobicContact CG-CD1 4.04Å; V83-L259 HydrophobicContact CG2-CD1 4.17Å; M255-L259 HydrophobicContact CG-CD1 3.84Å; M255-L259 HydrophobicContact CG-CG 4.3Å; M255-L259 WeakPolarHBondContact O-CB 3.37Å; M255-L259 VanDerWaalsContact O-CG 3.31Å; M255-L259 WeakPolarHBondContact O-CG 3.31Å; M255-L259 PolarHBondContact O-N 3.18Å; M255-L259 HydrophobicContact SD-CD1 4.11Å; M255-L259 HydrophobicContact SD-CG 4.08Å; R256-L259 PolarHBondContact O-N 3.07Å; R256-L259 VanDerWaalsContact O-N 3.16Å
260S97.1Very high98Very high69 Ų6933.2 Ų33.248%0.48319%0.186SC..Hα-helixtrans-115.9-3-172.7-52.80000114.1R256 P294R256-S260 WeakPolarHBondContact O-CB 3.45Å; R256-S260 PolarHBondContact O-N 2.56Å; R256-S260 PolarHBondContact O-OG 2.59Å; S260-P294 WeakPolarHBondContact O-CB 3.24Å
261G97.9Very high98Very high10 Ų1033.2 Ų33.210%0.10319%0.186CC..  trans86.9170.3-178.300000114.3T257 V292T257-G261 CarbonylContact O-C 3.55Å; T257-G261 VanDerWaalsContact O-CA 3.28Å; T257-G261 WeakPolarHBondContact O-CA 3.37Å; T257-G261 PolarHBondContact O-N 2.96Å; G261-V292 CarbonylContact C-O 3.57Å; G261-V292 WeakPolarHBondContact CA-O 3.47Å
262T97.9Very high98Very high22 Ų2233.2 Ų33.214%0.13519%0.186CC..PPolyproline II helixtrans-93.7137.8170.545.10000110.5T257 V268 T291 V292T257-T262 HydrophobicContact CG2-CG2 3.44Å; T257-T262 VanDerWaalsContact CG2-CG2 3.44Å; T262-V268 HydrophobicContact CG2-CG1 4.4Å; T262-V268 HydrophobicContact CG2-CG2 4.06Å; T262-T291 WeakPolarHBondContact OG1-CA 3.26Å; T262-V292 HydrophobicContact CG2-CB 4.3Å; T262-V292 HydrophobicContact CG2-CG2 4.28Å; T262-V292 PolarHBondContact N-O 3.48Å; T262-V292 PolarHBondContact OG1-N 2.99Å; T262-V292 PolarHBondContact OG1-O 3.41Å
263P95.8Very high98Very high86 Ų8634.1 Ų34.156%0.55819%0.191SC*.PPolyproline II helixtrans-53.7147.9168.3-2431.6000112.1G265 T266P263-G265 PolarHBondContact O-N 2.79Å; P263-T266 HydrophobicContact CB-CG2 3.98Å; P263-T266 WeakPolarHBondContact CB-OG1 3.42Å; P263-T266 VanDerWaalsContact CD-OG1 3.27Å; P263-T266 WeakPolarHBondContact CD-OG1 3.39Å; P263-T266 WeakPolarHBondContact O-CB 3.2Å; P263-T266 PolarHBondContact O-N 2.7Å; P263-T266 PolarHBondContact O-OG1 3.46Å
264E95.3Very high98Very high196 Ų19633 Ų3392%0.91619%0.186SC*.THydrogen-bonded Turntrans-55.5136.8179.7-171.4177.7178.300111.7T266E264-T266 PolarHBondContact O-N 3Å
265G95.8Very high97.9Very high45 Ų4537.1 Ų37.146%0.46421%0.208SC..THydrogen-bonded Turntrans69.65.6-178.300000115.1N181 P263N181-G265 PolarHBondContact ND2-O 2.95Å; N181-G265 PolarHBondContact OD1-O 3.13Å; P263-G265 PolarHBondContact O-N 2.79Å
266T97.7Very high97.9Very high31 Ų3138.6 Ų38.619%0.1922%0.223CC..  trans-110.5147.5177.873.50000112.9K180 N181 P263 E264K180-T266 HydrophobicContact CD-CG2 4.35Å; N181-T266 WeakPolarHBondContact OD1-CA 3.23Å; P263-T266 HydrophobicContact CB-CG2 3.98Å; P263-T266 WeakPolarHBondContact CB-OG1 3.42Å; P263-T266 VanDerWaalsContact CD-OG1 3.27Å; P263-T266 WeakPolarHBondContact CD-OG1 3.39Å; P263-T266 WeakPolarHBondContact O-CB 3.2Å; P263-T266 PolarHBondContact O-N 2.7Å; P263-T266 PolarHBondContact O-OG1 3.46Å; E264-T266 PolarHBondContact O-N 3Å
267W97.3Very high97.9Very high50 Ų5034 Ų3419%0.18921%0.207CC..  trans-123.1154.4174.6-43.5-31.1000110.5N181 I183 H198 P289 V302 L305N181-W267 HydrophobicContact CB-CD2 3.95Å; N181-W267 HydrophobicContact CB-CE3 3.69Å; N181-W267 HydrophobicContact CB-CG 4.43Å; N181-W267 HydrophobicContact CB-CZ3 4.07Å; N181-W267 PolarHBondContact OD1-N 3.36Å; I183-W267 HydrophobicContact CD1-CE3 4.33Å; I183-W267 HydrophobicContact CD1-CZ3 4.16Å; I183-W267 HydrophobicContact CG1-CE3 4.43Å; H198-W267 HydrophobicContact CB-CH2 4.12Å; H198-W267 HydrophobicContact CB-CZ3 3.79Å; W267-P289 HydrophobicContact CE3-CB 4.2Å; W267-V302 HydrophobicContact CB-CG2 4.27Å; W267-V302 HydrophobicContact CD2-CB 4.48Å; W267-V302 HydrophobicContact CD2-CG1 4.12Å; W267-V302 HydrophobicContact CD2-CG2 3.84Å; W267-V302 HydrophobicContact CE3-CG1 4.36Å; W267-V302 HydrophobicContact CE3-CG2 4.46Å; W267-V302 HydrophobicContact CG-CG2 3.69Å; W267-V302 HydrophobicContact CH2-CG1 4.11Å; W267-V302 HydrophobicContact CZ2-CG1 3.8Å; W267-V302 HydrophobicContact CZ3-CG1 4.35Å; W267-L305 HydrophobicContact CH2-CD2 3.43Å; W267-L305 VanDerWaalsContact CH2-CD2 3.43Å; W267-L305 HydrophobicContact CZ2-CD2 4.36Å; W267-L305 HydrophobicContact CZ3-CD1 4.12Å; W267-L305 HydrophobicContact CZ3-CD2 3.71Å
268V98.7Very high97.9Very high10 Ų1035 Ų356%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-124.3162.8169.6-64.20000110.3T257 T262 M270 V290T257-V268 HydrophobicContact CG2-CG1 4.03Å; T257-V268 HydrophobicContact CG2-CG2 3.75Å; T262-V268 HydrophobicContact CG2-CG1 4.4Å; T262-V268 HydrophobicContact CG2-CG2 4.06Å; V268-M270 HydrophobicContact CG2-CG 4.26Å; V268-M270 HydrophobicContact CG2-SD 4.34Å; V268-V290 HydrophobicContact CG2-CG2 3.89Å; V268-V290 PolarHBondContact N-O 2.88Å; V268-V290 PolarHBondContact O-N 2.94Å
269S98.9Very high97.9Very high0 Ų037.7 Ų37.70%024%0.238CC..EExtended strand (participates in β ladder)trans-97.5128.3173.4-50.70000111.2H161 I184 F288H161-S269 PolarHBondContact ND1-N 3.32Å; H161-S269 PolarHBondContact ND1-OG 3.46Å; I184-S269 PolarHBondContact N-OG 3.36Å; S269-F288 WeakPolarHBondContact CA-O 3.49Å
270M98.9Very high98Very high1 Ų136.8 Ų36.81%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-136.9137.4176.2-65.2177.863.300109.2H254 W258 V268 V272 S287 F288 V290 V292H254-M270 VanDerWaalsContact CE1-CG 3.49Å; H254-M270 WeakPolarHBondContact CE1-CG 3.38Å; H254-M270 VanDerWaalsContact NE2-CE 3.26Å; H254-M270 WeakPolarHBondContact NE2-CE 3.44Å; W258-M270 HydrophobicContact CB-CE 4.42Å; W258-M270 HydrophobicContact CD2-CE 3.82Å; W258-M270 HydrophobicContact CE3-CE 3.82Å; W258-M270 HydrophobicContact CG-CE 4.12Å; W258-M270 HydrophobicContact CZ3-CE 4.3Å; V268-M270 HydrophobicContact CG2-CG 4.26Å; V268-M270 HydrophobicContact CG2-SD 4.34Å; M270-V272 HydrophobicContact CB-CG1 3.99Å; M270-V272 PolarHBondContact O-N 3.24Å; M270-S287 WeakPolarHBondContact O-CA 3.36Å; M270-F288 PolarHBondContact N-O 3.4Å; M270-F288 PolarHBondContact O-N 3.31Å; M270-V290 HydrophobicContact CB-CG2 3.85Å; M270-V290 HydrophobicContact CG-CG2 3.62Å; M270-V290 HydrophobicContact SD-CG2 3.45Å; M270-V290 WeakPolarHBondContact SD-CG2 3.38Å; M270-V292 HydrophobicContact SD-CG2 4.3Å
271C98.9Very high98Very high0 Ų035.2 Ų35.20%022%0.222CC..EExtended strand (participates in β ladder)trans-79.3115.6166.5-58.70000109.2N134 S154 A155 T157 V285 Y286N134-C271 PolarHBondContact ND2-SG 3.37Å; N134-C271 PolarHBondContact OD1-SG 3.27Å; N134-C271 VanDerWaalsContact OD1-SG 3.33Å; S154-C271 CarbonylContact C-O 3.51Å; S154-C271 WeakPolarHBondContact CA-O 3.36Å; S154-C271 VanDerWaalsContact CB-O 3.29Å; S154-C271 WeakPolarHBondContact CB-O 3.35Å; A155-C271 HydrophobicContact CB-CB 3.6Å; A155-C271 PolarHBondContact N-O 3.34Å; A155-C271 VanDerWaalsContact O-CB 3.3Å; A155-C271 WeakPolarHBondContact O-CB 3.43Å; A155-C271 PolarHBondContact O-N 2.92Å; A155-C271 VanDerWaalsContact O-N 3.09Å; T157-C271 WeakPolarHBondContact CG2-SG 3.27Å; C271-V285 HydrophobicContact CB-CG1 3.84Å; C271-Y286 VanDerWaalsContact CA-O 3.31Å; C271-Y286 WeakPolarHBondContact CA-O 3.48Å
272V98.8Very high98Very high0 Ų040.4 Ų40.40%025%0.247CC..EExtended strand (participates in β ladder)trans-131.8157.4-177.2-65.60000110M270 S274 V285 Y286 F288 V290 W299 I301M270-V272 HydrophobicContact CB-CG1 3.99Å; M270-V272 PolarHBondContact O-N 3.24Å; V272-S274 PolarHBondContact O-N 3.32Å; V272-V285 WeakPolarHBondContact O-CA 3.4Å; V272-Y286 PolarHBondContact N-O 3.28Å; V272-Y286 PolarHBondContact O-N 3.42Å; V272-F288 HydrophobicContact CG2-CD2 3.83Å; V272-V290 HydrophobicContact CG2-CG1 4.46Å; V272-W299 HydrophobicContact CB-CD2 4.38Å; V272-W299 HydrophobicContact CB-CE3 4.32Å; V272-W299 HydrophobicContact CB-CH2 3.62Å; V272-W299 HydrophobicContact CB-CZ2 3.63Å; V272-W299 HydrophobicContact CB-CZ3 3.98Å; V272-W299 HydrophobicContact CG1-CD2 3.88Å; V272-W299 HydrophobicContact CG1-CE3 4.18Å; V272-W299 HydrophobicContact CG1-CG 4.42Å; V272-W299 HydrophobicContact CG1-CH2 4.19Å; V272-W299 HydrophobicContact CG1-CZ2 3.85Å; V272-W299 HydrophobicContact CG1-CZ3 4.34Å; V272-W299 HydrophobicContact CG2-CE3 4.16Å; V272-W299 HydrophobicContact CG2-CH2 3.81Å; V272-W299 HydrophobicContact CG2-CZ2 4.31Å; V272-W299 HydrophobicContact CG2-CZ3 3.72Å; V272-I301 HydrophobicContact CG2-CD1 4.27Å; V272-I301 HydrophobicContact CG2-CG1 4.26Å
273P98.6Very high98Very high23 Ų2340.9 Ų40.915%0.14926%0.257CS..EExtended strand (participates in β ladder)trans-59.1121.2171.7-20.131.6000110.1A150A150-P273 HydrophobicContact CB-CG 4.04Å; A150-P273 WeakPolarHBondContact O-CG 3.43Å
274S98.8Very high98.1Very high6 Ų637 Ų374%0.04223%0.231CC..  trans-60.8140.7178-178.90000111.5V272 G276 I280 P281 N282 G283 L284V272-S274 PolarHBondContact O-N 3.32Å; S274-G276 PolarHBondContact OG-N 3.11Å; S274-G276 VanDerWaalsContact OG-N 3.13Å; S274-I280 PolarHBondContact OG-O 3.38Å; S274-P281 VanDerWaalsContact CB-O 3.23Å; S274-P281 WeakPolarHBondContact CB-O 3.43Å; S274-P281 PolarHBondContact OG-O 3.47Å; S274-N282 WeakPolarHBondContact O-CA 3.21Å; S274-G283 PolarHBondContact O-N 3.34Å; S274-L284 WeakPolarHBondContact CB-O 3.42Å; S274-L284 PolarHBondContact N-O 3.1Å
275D98.2Very high98.3Very high89 Ų8928 Ų2848%0.47619%0.189SC..  trans-103.615.6171.663.90.6000112.5S277 N282D275-S277 VanDerWaalsContact C-N 3.33Å; D275-S277 WeakPolarHBondContact OD1-CB 3.35Å; D275-S277 PolarHBondContact OD1-N 2.88Å; D275-S277 PolarHBondContact OD1-OG 3.28Å; D275-N282 WeakPolarHBondContact CA-OD1 3.37Å; D275-N282 PolarHBondContact O-OD1 2.94Å
276G98.4Very high98.4Very high30 Ų3025.9 Ų25.931%0.30917%0.167SC..SBendtrans92.6-7-175.400000113.3S274 Y278 G279 I280 N282S274-G276 PolarHBondContact OG-N 3.11Å; S274-G276 VanDerWaalsContact OG-N 3.13Å; G276-Y278 PolarHBondContact O-N 2.87Å; G276-G279 PolarHBondContact O-N 3.07Å; G276-I280 VanDerWaalsContact CA-O 3.29Å; G276-I280 WeakPolarHBondContact CA-O 3.48Å; G276-N282 PolarHBondContact N-OD1 3.28Å
277S98.7Very high98.5Very high10 Ų1024.4 Ų24.47%0.0716%0.158CC..G310 helixtrans-48.8134.2177.2-72.70000111.4D275 G279 I280 Q303D275-S277 VanDerWaalsContact C-N 3.33Å; D275-S277 WeakPolarHBondContact OD1-CB 3.35Å; D275-S277 PolarHBondContact OD1-N 2.88Å; D275-S277 PolarHBondContact OD1-OG 3.28Å; S277-G279 PolarHBondContact O-N 3.33Å; S277-G279 VanDerWaalsContact O-N 3.13Å; S277-I280 PolarHBondContact O-N 3.06Å; S277-Q303 PolarHBondContact OG-NE2 3.2Å
278Y98.6Very high98.6Very high34 Ų3422 Ų2213%0.13315%0.149CC..G310 helixtrans5920.3179.5-54.9-73.9000115.5W185 G276 I280 F288 I301 V302 L305 I307 R312W185-Y278 AromaticContact CH2-CD2 3.83Å; W185-Y278 HydrophobicContact CH2-CD2 3.83Å; W185-Y278 HydrophobicContact CH2-CE1 4.47Å; W185-Y278 AromaticContact CH2-CE2 3.74Å; W185-Y278 HydrophobicContact CH2-CE2 3.74Å; W185-Y278 HydrophobicContact CH2-CG 4.23Å; W185-Y278 AromaticContact CZ3-CD2 3.68Å; W185-Y278 HydrophobicContact CZ3-CD2 3.68Å; W185-Y278 AromaticContact CZ3-CE2 3.98Å; W185-Y278 HydrophobicContact CZ3-CE2 3.98Å; W185-Y278 HydrophobicContact CZ3-CG 4.17Å; G276-Y278 PolarHBondContact O-N 2.87Å; Y278-I280 VanDerWaalsContact C-N 3.29Å; Y278-F288 HydrophobicContact CD2-CD1 4.13Å; Y278-F288 HydrophobicContact CD2-CE1 4.07Å; Y278-I301 HydrophobicContact CD2-CG2 4.41Å; Y278-I301 HydrophobicContact CE2-CG2 3.86Å; Y278-V302 WeakPolarHBondContact CE2-O 3.29Å; Y278-V302 PolarHBondContact OH-O 2.8Å; Y278-L305 HydrophobicContact CE1-CB 3.99Å; Y278-L305 WeakPolarHBondContact OH-CB 3.34Å; Y278-L305 VanDerWaalsContact OH-CG 3.23Å; Y278-L305 WeakPolarHBondContact OH-CG 3.42Å; Y278-L305 PolarHBondContact OH-N 3.04Å; Y278-I307 HydrophobicContact CD1-CD1 4.07Å; Y278-I307 HydrophobicContact CD1-CG1 3.78Å; Y278-I307 HydrophobicContact CE1-CD1 4.26Å; Y278-I307 HydrophobicContact CE1-CG1 4.25Å; Y278-R312 PolarHBondContact O-NH1 2.83Å; Y278-R312 PolarHBondContact O-NH2 2.84Å
279G98.3Very high98.6Very high59 Ų5921.6 Ų21.661%0.60815%0.147SC*.G310 helixtrans77.712.5-179.500000113.9G276 S277G276-G279 PolarHBondContact O-N 3.07Å; S277-G279 PolarHBondContact O-N 3.33Å; S277-G279 VanDerWaalsContact O-N 3.13Å
280I98.7Very high98.6Very high1 Ų121.6 Ų21.61%0.00515%0.147CC..PPolyproline II helixtrans-80128.3175.6-56.7-55.6000109.1S274 G276 S277 Y278 N282 L284 Y286 F288 M315 Q319S274-I280 PolarHBondContact OG-O 3.38Å; G276-I280 VanDerWaalsContact CA-O 3.29Å; G276-I280 WeakPolarHBondContact CA-O 3.48Å; S277-I280 PolarHBondContact O-N 3.06Å; Y278-I280 VanDerWaalsContact C-N 3.29Å; I280-N282 PolarHBondContact O-N 2.91Å; I280-L284 HydrophobicContact CG2-CD2 4.16Å; I280-Y286 HydrophobicContact CD1-CD2 4.42Å; I280-Y286 HydrophobicContact CD1-CE1 4.25Å; I280-Y286 HydrophobicContact CD1-CE2 3.88Å; I280-Y286 HydrophobicContact CG1-CD1 4.31Å; I280-Y286 HydrophobicContact CG1-CE1 4.18Å; I280-Y286 HydrophobicContact CG1-CE2 4.4Å; I280-Y286 HydrophobicContact CG2-CD1 4.34Å; I280-Y286 HydrophobicContact CG2-CD2 3.76Å; I280-Y286 HydrophobicContact CG2-CE2 4.3Å; I280-Y286 HydrophobicContact CG2-CG 3.8Å; I280-F288 HydrophobicContact CB-CE1 4.34Å; I280-F288 HydrophobicContact CB-CZ 3.79Å; I280-F288 HydrophobicContact CG1-CE1 3.93Å; I280-F288 HydrophobicContact CG1-CZ 3.82Å; I280-F288 HydrophobicContact CG2-CZ 3.96Å; I280-M315 HydrophobicContact CD1-CE 4.25Å; I280-Q319 HydrophobicContact CD1-CB 4.43Å; I280-Q319 HydrophobicContact CD1-CG 4.41Å
281P98.3Very high98.6Very high37 Ų3723.8 Ų23.824%0.2416%0.16CC..PPolyproline II helixtrans-53.8136.8-174.3-27.933.7000114.5S274 G283 L284 E323S274-P281 VanDerWaalsContact CB-O 3.23Å; S274-P281 WeakPolarHBondContact CB-O 3.43Å; S274-P281 PolarHBondContact OG-O 3.47Å; P281-G283 PolarHBondContact O-N 3.4Å; P281-L284 WeakPolarHBondContact O-CB 3.36Å; P281-L284 PolarHBondContact O-N 2.94Å; P281-E323 WeakPolarHBondContact CG-OE1 3.42Å
282N98.1Very high98.5Very high118 Ų11823.9 Ų23.963%0.63116%0.161SC*.THydrogen-bonded Turntrans-51.3136178.2-79.9-47.1000112.5S274 D275 G276 I280 L284S274-N282 WeakPolarHBondContact O-CA 3.21Å; D275-N282 WeakPolarHBondContact CA-OD1 3.37Å; D275-N282 PolarHBondContact O-OD1 2.94Å; G276-N282 PolarHBondContact N-OD1 3.28Å; I280-N282 PolarHBondContact O-N 2.91Å; N282-L284 PolarHBondContact O-N 3.47Å
283G96.9Very high98.5Very high33 Ų3327 Ų2734%0.3418%0.178SC..THydrogen-bonded Turntrans75.9-6.2177.300000115.6S274 P281 V285S274-G283 PolarHBondContact O-N 3.34Å; P281-G283 PolarHBondContact O-N 3.4Å; G283-V285 PolarHBondContact O-N 3.24Å
284L98.4Very high98.4Very high4 Ų430 Ų302%0.02120%0.197CC..  trans-67.9124.1170.2-167.167.2000109.1S274 I280 P281 N282 Y286 Q319 L322 E323 R326S274-L284 WeakPolarHBondContact CB-O 3.42Å; S274-L284 PolarHBondContact N-O 3.1Å; I280-L284 HydrophobicContact CG2-CD2 4.16Å; P281-L284 WeakPolarHBondContact O-CB 3.36Å; P281-L284 PolarHBondContact O-N 2.94Å; N282-L284 PolarHBondContact O-N 3.47Å; L284-Y286 HydrophobicContact CD2-CD2 4.27Å; L284-Y286 PolarHBondContact O-N 2.87Å; L284-Y286 VanDerWaalsContact O-N 3.15Å; L284-Q319 HydrophobicContact CD2-CG 4.02Å; L284-L322 HydrophobicContact CD1-CB 3.95Å; L284-L322 HydrophobicContact CD2-CB 3.95Å; L284-L322 HydrophobicContact CD2-CD1 4.46Å; L284-L322 HydrophobicContact CG-CB 4.14Å; L284-E323 HydrophobicContact CD1-CG 4.34Å; L284-E323 HydrophobicContact CD2-CG 4.04Å; L284-R326 HydrophobicContact CD1-CB 4.43Å
285V98.8Very high98.3Very high7 Ų734.1 Ų34.14%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-75.1106175.7177.10000108.5N134 A137 F138 A155 C271 V272 G283N134-V285 HydrophobicContact CB-CG1 4.28Å; N134-V285 PolarHBondContact ND2-O 3.45Å; A137-V285 HydrophobicContact CB-CG1 4.14Å; F138-V285 HydrophobicContact CB-CB 4.47Å; F138-V285 HydrophobicContact CB-CG2 3.85Å; A155-V285 HydrophobicContact CB-CG1 4.36Å; C271-V285 HydrophobicContact CB-CG1 3.84Å; V272-V285 WeakPolarHBondContact O-CA 3.4Å; G283-V285 PolarHBondContact O-N 3.24Å
286Y98.9Very high98.2Very high0 Ų033.4 Ų33.40%023%0.23CC..EExtended strand (participates in β ladder)trans-134.8143.2-168.7-171.2-79.6000109.5W185 G186 C271 V272 I280 L284 F288 M315 T318 Q319 L322W185-Y286 HydrophobicContact CB-CE1 4.07Å; W185-Y286 HydrophobicContact CE3-CE1 4.15Å; G186-Y286 VanDerWaalsContact CA-CE2 3.43Å; G186-Y286 VanDerWaalsContact N-CZ 3.27Å; C271-Y286 VanDerWaalsContact CA-O 3.31Å; C271-Y286 WeakPolarHBondContact CA-O 3.48Å; V272-Y286 PolarHBondContact N-O 3.28Å; V272-Y286 PolarHBondContact O-N 3.42Å; I280-Y286 HydrophobicContact CD1-CD2 4.42Å; I280-Y286 HydrophobicContact CD1-CE1 4.25Å; I280-Y286 HydrophobicContact CD1-CE2 3.88Å; I280-Y286 HydrophobicContact CG1-CD1 4.31Å; I280-Y286 HydrophobicContact CG1-CE1 4.18Å; I280-Y286 HydrophobicContact CG1-CE2 4.4Å; I280-Y286 HydrophobicContact CG2-CD1 4.34Å; I280-Y286 HydrophobicContact CG2-CD2 3.76Å; I280-Y286 HydrophobicContact CG2-CE2 4.3Å; I280-Y286 HydrophobicContact CG2-CG 3.8Å; L284-Y286 HydrophobicContact CD2-CD2 4.27Å; L284-Y286 PolarHBondContact O-N 2.87Å; L284-Y286 VanDerWaalsContact O-N 3.15Å; Y286-F288 HydrophobicContact CD1-CD1 4.38Å; Y286-F288 HydrophobicContact CD1-CD2 4.09Å; Y286-F288 HydrophobicContact CD1-CE1 4.02Å; Y286-F288 AromaticContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CG 4.4Å; Y286-F288 AromaticContact CD1-CZ 3.7Å; Y286-F288 HydrophobicContact CD1-CZ 3.7Å; Y286-F288 HydrophobicContact CE1-CE1 4.44Å; Y286-F288 HydrophobicContact CE1-CZ 4.49Å; Y286-F288 HydrophobicContact CG-CE2 4.11Å; Y286-F288 HydrophobicContact CG-CZ 4.2Å; Y286-F288 WeakPolarHBondContact O-CD2 3.41Å; Y286-F288 PolarHBondContact O-N 3.34Å; Y286-M315 WeakPolarHBondContact OH-CA 3.27Å; Y286-M315 PolarHBondContact OH-O 2.71Å; Y286-T318 HydrophobicContact CE2-CG2 3.96Å; Y286-T318 VanDerWaalsContact OH-CG2 3.29Å; Y286-T318 WeakPolarHBondContact OH-CG2 3.12Å; Y286-Q319 HydrophobicContact CE2-CB 4Å; Y286-L322 HydrophobicContact CD2-CD1 3.52Å; Y286-L322 HydrophobicContact CE2-CD1 4.22Å; Y286-L322 HydrophobicContact CG-CD1 4.24Å
287S99Very high98.1Very high0 Ų037.5 Ų37.50%024%0.236CC..EExtended strand (participates in β ladder)trans-74124.5177.8-171.30000111.3T157 I184 W185 G186 M270T157-S287 WeakPolarHBondContact CB-OG 3.47Å; T157-S287 PolarHBondContact OG1-OG 2.91Å; I184-S287 CarbonylContact O-C 3.57Å; I184-S287 WeakPolarHBondContact O-CB 3.19Å; I184-S287 PolarHBondContact O-OG 3.05Å; W185-S287 WeakPolarHBondContact CA-O 3.49Å; G186-S287 PolarHBondContact N-O 3.25Å; G186-S287 WeakPolarHBondContact O-CB 3.3Å; G186-S287 PolarHBondContact O-N 2.86Å; M270-S287 WeakPolarHBondContact O-CA 3.36Å
288F99Very high98.1Very high0 Ų039.4 Ų39.40%024%0.244CC..EExtended strand (participates in β ladder)trans-125.5158.2176.9-70.3-83.5000110.9W185 S269 M270 V272 Y278 I280 Y286 V290 I301W185-F288 HydrophobicContact CE3-CD1 4.12Å; W185-F288 AromaticContact CZ3-CD1 3.68Å; W185-F288 HydrophobicContact CZ3-CD1 3.68Å; W185-F288 HydrophobicContact CZ3-CE1 4.22Å; S269-F288 WeakPolarHBondContact CA-O 3.49Å; M270-F288 PolarHBondContact N-O 3.4Å; M270-F288 PolarHBondContact O-N 3.31Å; V272-F288 HydrophobicContact CG2-CD2 3.83Å; Y278-F288 HydrophobicContact CD2-CD1 4.13Å; Y278-F288 HydrophobicContact CD2-CE1 4.07Å; I280-F288 HydrophobicContact CB-CE1 4.34Å; I280-F288 HydrophobicContact CB-CZ 3.79Å; I280-F288 HydrophobicContact CG1-CE1 3.93Å; I280-F288 HydrophobicContact CG1-CZ 3.82Å; I280-F288 HydrophobicContact CG2-CZ 3.96Å; Y286-F288 HydrophobicContact CD1-CD1 4.38Å; Y286-F288 HydrophobicContact CD1-CD2 4.09Å; Y286-F288 HydrophobicContact CD1-CE1 4.02Å; Y286-F288 AromaticContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CG 4.4Å; Y286-F288 AromaticContact CD1-CZ 3.7Å; Y286-F288 HydrophobicContact CD1-CZ 3.7Å; Y286-F288 HydrophobicContact CE1-CE1 4.44Å; Y286-F288 HydrophobicContact CE1-CZ 4.49Å; Y286-F288 HydrophobicContact CG-CE2 4.11Å; Y286-F288 HydrophobicContact CG-CZ 4.2Å; Y286-F288 WeakPolarHBondContact O-CD2 3.41Å; Y286-F288 PolarHBondContact O-N 3.34Å; F288-V290 HydrophobicContact CB-CG1 4.21Å; F288-V290 PolarHBondContact O-N 3.32Å; F288-I301 HydrophobicContact CB-CD1 4.31Å; F288-I301 HydrophobicContact CB-CG1 3.92Å; F288-I301 HydrophobicContact CB-CG2 4.12Å; F288-I301 HydrophobicContact CD1-CD1 4.11Å; F288-I301 HydrophobicContact CD1-CG1 4.45Å; F288-I301 HydrophobicContact CD1-CG2 3.93Å; F288-I301 HydrophobicContact CD2-CD1 3.71Å; F288-I301 HydrophobicContact CD2-CG1 4.21Å; F288-I301 HydrophobicContact CE1-CD1 4.36Å; F288-I301 HydrophobicContact CE2-CD1 3.94Å; F288-I301 HydrophobicContact CG-CD1 3.79Å; F288-I301 HydrophobicContact CG-CG1 3.97Å; F288-I301 HydrophobicContact CG-CG2 4.18Å; F288-I301 HydrophobicContact CZ-CD1 4.27Å
289P98.9Very high98Very high1 Ų138.9 Ų38.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-67.2126.2158.329.4-29.8000108.9I183 W185 W267 V302 L305I183-P289 HydrophobicContact CD1-CB 4.12Å; I183-P289 HydrophobicContact CD1-CG 4.1Å; I183-P289 HydrophobicContact CG1-CB 4.02Å; I183-P289 HydrophobicContact CG1-CG 4.43Å; I183-P289 HydrophobicContact CG2-CB 3.84Å; I183-P289 HydrophobicContact CG2-CG 3.83Å; W185-P289 VanDerWaalsContact CH2-CD 3.49Å; W185-P289 HydrophobicContact CH2-CG 3.73Å; W185-P289 HydrophobicContact CZ2-CG 4.03Å; W185-P289 HydrophobicContact CZ3-CG 4.28Å; W267-P289 HydrophobicContact CE3-CB 4.2Å; P289-V302 HydrophobicContact CB-CB 4.15Å; P289-V302 HydrophobicContact CB-CG2 4.12Å; P289-V302 HydrophobicContact CG-CB 4.15Å; P289-V302 PolarHBondContact O-N 3.24Å; P289-L305 HydrophobicContact CB-CD1 4.48Å; P289-L305 HydrophobicContact CG-CD1 3.68Å
290V98.9Very high98.1Very high0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-130.7151.3177.9-55.40000111.7V268 M270 V272 F288 W299 K300 I301V268-V290 HydrophobicContact CG2-CG2 3.89Å; V268-V290 PolarHBondContact N-O 2.88Å; V268-V290 PolarHBondContact O-N 2.94Å; M270-V290 HydrophobicContact CB-CG2 3.85Å; M270-V290 HydrophobicContact CG-CG2 3.62Å; M270-V290 HydrophobicContact SD-CG2 3.45Å; M270-V290 WeakPolarHBondContact SD-CG2 3.38Å; V272-V290 HydrophobicContact CG2-CG1 4.46Å; F288-V290 HydrophobicContact CB-CG1 4.21Å; F288-V290 PolarHBondContact O-N 3.32Å; V290-W299 HydrophobicContact CB-CB 4.5Å; V290-W299 HydrophobicContact CG1-CE3 4.49Å; V290-K300 WeakPolarHBondContact CA-O 3.49Å; V290-K300 WeakPolarHBondContact CB-O 3.32Å; V290-I301 HydrophobicContact CG1-CG1 4.25Å
291T98.7Very high98.1Very high47 Ų4743.2 Ų43.229%0.28824%0.244SC..EExtended strand (participates in β ladder)trans-107.8149.8161.853.30000109.1T262 W299 K300 V302T262-T291 WeakPolarHBondContact OG1-CA 3.26Å; T291-W299 CarbonylContact O-C 3.59Å; T291-W299 VanDerWaalsContact O-CA 3.23Å; T291-W299 WeakPolarHBondContact O-CA 3.29Å; T291-K300 PolarHBondContact N-O 3.44Å; T291-K300 PolarHBondContact O-N 2.76Å; T291-V302 HydrophobicContact CG2-CG2 4.09Å
292V98.7Very high98.1Very high3 Ų342.2 Ų42.22%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-120.4126175.6-174.50000109.2T257 W258 G261 T262 M270 E298 W299T257-V292 HydrophobicContact CG2-CG2 4.27Å; W258-V292 WeakPolarHBondContact O-CG1 3.43Å; G261-V292 CarbonylContact C-O 3.57Å; G261-V292 WeakPolarHBondContact CA-O 3.47Å; T262-V292 HydrophobicContact CG2-CB 4.3Å; T262-V292 HydrophobicContact CG2-CG2 4.28Å; T262-V292 PolarHBondContact N-O 3.48Å; T262-V292 PolarHBondContact OG1-N 2.99Å; T262-V292 PolarHBondContact OG1-O 3.41Å; M270-V292 HydrophobicContact SD-CG2 4.3Å; V292-E298 WeakPolarHBondContact CA-O 3.28Å; V292-W299 HydrophobicContact CG2-CB 4.03Å
293D97.9Very high98.1Very high66 Ų6641.9 Ų41.935%0.35323%0.232SC..  trans-73.3124.3174.4178.1-72.9000110A295 T296 R297 E298D293-A295 VanDerWaalsContact C-N 3.32Å; D293-A295 PolarHBondContact O-N 3.48Å; D293-A295 WeakPolarHBondContact OD1-CA 3.46Å; D293-A295 WeakPolarHBondContact OD1-CB 3.36Å; D293-A295 PolarHBondContact OD1-N 3.3Å; D293-T296 VanDerWaalsContact CB-OG1 3.31Å; D293-T296 WeakPolarHBondContact CB-OG1 3.44Å; D293-T296 VanDerWaalsContact CG-OG1 3.23Å; D293-T296 PolarHBondContact OD1-N 3.01Å; D293-T296 PolarHBondContact OD1-OG1 2.89Å; D293-R297 WeakPolarHBondContact O-CA 3.36Å; D293-R297 PolarHBondContact O-N 3.11Å; D293-E298 PolarHBondContact N-O 2.9Å
294P96.1Very high98.2Very high86 Ų8643.9 Ų43.956%0.55825%0.253SS*.THydrogen-bonded Turntrans-69.4-26.2-175.227-35000113.9S260S260-P294 WeakPolarHBondContact O-CB 3.24Å
295A96Very high98.1Very high91 Ų9144.7 Ų44.775%0.75226%0.257SS*.THydrogen-bonded Turntrans-81.9-43.5-176.100000111.6D293D293-A295 VanDerWaalsContact C-N 3.32Å; D293-A295 PolarHBondContact O-N 3.48Å; D293-A295 WeakPolarHBondContact OD1-CA 3.46Å; D293-A295 WeakPolarHBondContact OD1-CB 3.36Å; D293-A295 PolarHBondContact OD1-N 3.3Å
296T96.6Very high98.1Very high75 Ų7549.6 Ų49.646%0.4629%0.287SS..THydrogen-bonded Turntrans-95.5-18.2-176.962.70000112.5D293 E298D293-T296 VanDerWaalsContact CB-OG1 3.31Å; D293-T296 WeakPolarHBondContact CB-OG1 3.44Å; D293-T296 VanDerWaalsContact CG-OG1 3.23Å; D293-T296 PolarHBondContact OD1-N 3.01Å; D293-T296 PolarHBondContact OD1-OG1 2.89Å; T296-E298 PolarHBondContact O-N 3.19Å; T296-E298 WeakPolarHBondContact OG1-CB 3.13Å; T296-E298 WeakPolarHBondContact OG1-CG 3.43Å; T296-E298 PolarHBondContact OG1-N 3.13Å
297R96.9Very high98.1Very high115 Ų11551.3 Ų51.343%0.43430%0.296SS..  trans59.528.6-173.2-52.2171.5-168.8172.53.1112.4R125 W258 D293R125-R297 VanDerWaalsContact NH2-CB 3.27Å; R125-R297 PolarHBondContact NH2-O 3.47Å; W258-R297 VanDerWaalsContact CD1-O 3.32Å; W258-R297 PolarHBondContact NE1-O 3.07Å; W258-R297 WeakPolarHBondContact O-CB 3.46Å; D293-R297 WeakPolarHBondContact O-CA 3.36Å; D293-R297 PolarHBondContact O-N 3.11Å
298E97.7Very high98Very high51 Ų5153.3 Ų53.324%0.23831%0.307CS..  trans-95.5126.5-179.1-59.3-61.5-167.600110.7R151 V292 D293 T296R151-E298 IonicContact CZ-OE1 3.7Å; R151-E298 IonicContact CZ-OE2 3.13Å; R151-E298 IonicContact NH1-OE1 3.92Å; R151-E298 PolarHBondContact NH1-OE1 2.93Å; R151-E298 IonicContact NH1-OE2 2.7Å; R151-E298 PolarHBondContact NH1-OE2 2.83Å; R151-E298 VanDerWaalsContact NH2-CD 3.27Å; R151-E298 IonicContact NH2-OE1 3.7Å; R151-E298 IonicContact NH2-OE2 2.89Å; R151-E298 PolarHBondContact NH2-OE2 2.95Å; V292-E298 WeakPolarHBondContact CA-O 3.28Å; D293-E298 PolarHBondContact N-O 2.9Å; T296-E298 PolarHBondContact O-N 3.19Å; T296-E298 WeakPolarHBondContact OG1-CB 3.13Å; T296-E298 WeakPolarHBondContact OG1-CG 3.43Å; T296-E298 PolarHBondContact OG1-N 3.13Å
299W98.4Very high98Very high22 Ų2258.4 Ų58.48%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-83.5149.5172.460-102.6000110.4R151 W258 V272 V290 T291 V292 I301R151-W299 HydrophobicContact CB-CZ2 3.67Å; R151-W299 PolarHBondContact O-NE1 3.15Å; W258-W299 AromaticContact CE2-CD1 3.86Å; W258-W299 AromaticContact CZ2-CD1 3.85Å; W258-W299 AromaticContact CZ2-NE1 3.91Å; W258-W299 AromaticContact NE1-CD1 3.72Å; V272-W299 HydrophobicContact CB-CD2 4.38Å; V272-W299 HydrophobicContact CB-CE3 4.32Å; V272-W299 HydrophobicContact CB-CH2 3.62Å; V272-W299 HydrophobicContact CB-CZ2 3.63Å; V272-W299 HydrophobicContact CB-CZ3 3.98Å; V272-W299 HydrophobicContact CG1-CD2 3.88Å; V272-W299 HydrophobicContact CG1-CE3 4.18Å; V272-W299 HydrophobicContact CG1-CG 4.42Å; V272-W299 HydrophobicContact CG1-CH2 4.19Å; V272-W299 HydrophobicContact CG1-CZ2 3.85Å; V272-W299 HydrophobicContact CG1-CZ3 4.34Å; V272-W299 HydrophobicContact CG2-CE3 4.16Å; V272-W299 HydrophobicContact CG2-CH2 3.81Å; V272-W299 HydrophobicContact CG2-CZ2 4.31Å; V272-W299 HydrophobicContact CG2-CZ3 3.72Å; V290-W299 HydrophobicContact CB-CB 4.5Å; V290-W299 HydrophobicContact CG1-CE3 4.49Å; T291-W299 CarbonylContact O-C 3.59Å; T291-W299 VanDerWaalsContact O-CA 3.23Å; T291-W299 WeakPolarHBondContact O-CA 3.29Å; V292-W299 HydrophobicContact CG2-CB 4.03Å; W299-I301 HydrophobicContact CZ3-CD1 4.46Å; W299-I301 HydrophobicContact CZ3-CG1 4.14Å
300K98.5Very high97.9Very high143 Ų14360 Ų6062%0.62235%0.349SS*.EExtended strand (participates in β ladder)trans-135.1137.2170.7-65.7-179.5-178.3174.90108.9V290 T291 V302V290-K300 WeakPolarHBondContact CA-O 3.49Å; V290-K300 WeakPolarHBondContact CB-O 3.32Å; T291-K300 PolarHBondContact N-O 3.44Å; T291-K300 PolarHBondContact O-N 2.76Å; K300-V302 PolarHBondContact O-N 3.22Å
301I98.9Very high97.9Very high8 Ų860.2 Ų60.24%0.04135%0.351CS..EExtended strand (participates in β ladder)trans-65.2127.7170.1-65.5169.4000107.8V272 Y278 F288 V290 W299 Q303V272-I301 HydrophobicContact CG2-CD1 4.27Å; V272-I301 HydrophobicContact CG2-CG1 4.26Å; Y278-I301 HydrophobicContact CD2-CG2 4.41Å; Y278-I301 HydrophobicContact CE2-CG2 3.86Å; F288-I301 HydrophobicContact CB-CD1 4.31Å; F288-I301 HydrophobicContact CB-CG1 3.92Å; F288-I301 HydrophobicContact CB-CG2 4.12Å; F288-I301 HydrophobicContact CD1-CD1 4.11Å; F288-I301 HydrophobicContact CD1-CG1 4.45Å; F288-I301 HydrophobicContact CD1-CG2 3.93Å; F288-I301 HydrophobicContact CD2-CD1 3.71Å; F288-I301 HydrophobicContact CD2-CG1 4.21Å; F288-I301 HydrophobicContact CE1-CD1 4.36Å; F288-I301 HydrophobicContact CE2-CD1 3.94Å; F288-I301 HydrophobicContact CG-CD1 3.79Å; F288-I301 HydrophobicContact CG-CG1 3.97Å; F288-I301 HydrophobicContact CG-CG2 4.18Å; F288-I301 HydrophobicContact CZ-CD1 4.27Å; V290-I301 HydrophobicContact CG1-CG1 4.25Å; W299-I301 HydrophobicContact CZ3-CD1 4.46Å; W299-I301 HydrophobicContact CZ3-CG1 4.14Å; I301-Q303 PolarHBondContact O-N 3.28Å; I301-Q303 PolarHBondContact O-NE2 3.37Å
302V98.7Very high97.9Very high17 Ų1761.7 Ų61.710%0.10335%0.351CS..  trans-60131.6173176.90000107.6W267 Y278 P289 T291 K300 L305W267-V302 HydrophobicContact CB-CG2 4.27Å; W267-V302 HydrophobicContact CD2-CB 4.48Å; W267-V302 HydrophobicContact CD2-CG1 4.12Å; W267-V302 HydrophobicContact CD2-CG2 3.84Å; W267-V302 HydrophobicContact CE3-CG1 4.36Å; W267-V302 HydrophobicContact CE3-CG2 4.46Å; W267-V302 HydrophobicContact CG-CG2 3.69Å; W267-V302 HydrophobicContact CH2-CG1 4.11Å; W267-V302 HydrophobicContact CZ2-CG1 3.8Å; W267-V302 HydrophobicContact CZ3-CG1 4.35Å; Y278-V302 WeakPolarHBondContact CE2-O 3.29Å; Y278-V302 PolarHBondContact OH-O 2.8Å; P289-V302 HydrophobicContact CB-CB 4.15Å; P289-V302 HydrophobicContact CB-CG2 4.12Å; P289-V302 HydrophobicContact CG-CB 4.15Å; P289-V302 PolarHBondContact O-N 3.24Å; T291-V302 HydrophobicContact CG2-CG2 4.09Å; K300-V302 PolarHBondContact O-N 3.22Å; V302-L305 HydrophobicContact CG1-CD1 4.18Å; V302-L305 HydrophobicContact CG1-CD2 4.1Å; V302-L305 HydrophobicContact CG1-CG 4.13Å
303Q98.5Very high97.9Very high111 Ų11167.1 Ų67.152%0.51938%0.377SS..  trans-107.1167.9-176.9-61.9-61-40.700111.4S277 I301 L305S277-Q303 PolarHBondContact OG-NE2 3.2Å; I301-Q303 PolarHBondContact O-N 3.28Å; I301-Q303 PolarHBondContact O-NE2 3.37Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; Q303-L305 PolarHBondContact O-N 3.47Å
304G97.9Very high98Very high75 Ų7566.4 Ų66.477%0.77337%0.37SS*.  trans77.94.4170.200000115.8
305L98.3Very high98.1Very high21 Ų2162.3 Ų62.311%0.1134%0.344CS..  trans-69.1130.8175.1-54.8179.5000111.8I183 W185 H198 W267 Y278 P289 V302 Q303I183-L305 HydrophobicContact CD1-CD1 3.74Å; W185-L305 HydrophobicContact CH2-CD1 4.19Å; W185-L305 HydrophobicContact CZ2-CD1 4.09Å; H198-L305 HydrophobicContact CB-CD2 4.27Å; W267-L305 HydrophobicContact CH2-CD2 3.43Å; W267-L305 VanDerWaalsContact CH2-CD2 3.43Å; W267-L305 HydrophobicContact CZ2-CD2 4.36Å; W267-L305 HydrophobicContact CZ3-CD1 4.12Å; W267-L305 HydrophobicContact CZ3-CD2 3.71Å; Y278-L305 HydrophobicContact CE1-CB 3.99Å; Y278-L305 WeakPolarHBondContact OH-CB 3.34Å; Y278-L305 VanDerWaalsContact OH-CG 3.23Å; Y278-L305 WeakPolarHBondContact OH-CG 3.42Å; Y278-L305 PolarHBondContact OH-N 3.04Å; P289-L305 HydrophobicContact CB-CD1 4.48Å; P289-L305 HydrophobicContact CG-CD1 3.68Å; V302-L305 HydrophobicContact CG1-CD1 4.18Å; V302-L305 HydrophobicContact CG1-CD2 4.1Å; V302-L305 HydrophobicContact CG1-CG 4.13Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; Q303-L305 PolarHBondContact O-N 3.47Å
306T97.9Very high98.2Very high109 Ų10961.2 Ų61.267%0.66933%0.328SS*.  trans-69.8130.2171.7-48.40000110.4H198H198-T306 PolarHBondContact NE2-O 2.68Å
307I98.4Very high98.3Very high36 Ų3662.2 Ų62.219%0.18533%0.33CS..  trans-113.8107.2174.2-49.6-59.6000108.3W185 Y278 A311 R312 M315W185-I307 HydrophobicContact CH2-CD1 4.25Å; W185-I307 HydrophobicContact CZ2-CD1 4.05Å; Y278-I307 HydrophobicContact CD1-CD1 4.07Å; Y278-I307 HydrophobicContact CD1-CG1 3.78Å; Y278-I307 HydrophobicContact CE1-CD1 4.26Å; Y278-I307 HydrophobicContact CE1-CG1 4.25Å; I307-A311 HydrophobicContact CG2-CB 3.77Å; I307-R312 HydrophobicContact CG2-CB 4.19Å; I307-M315 HydrophobicContact CD1-SD 4.02Å; I307-M315 HydrophobicContact CG1-SD 4.4Å; I307-M315 HydrophobicContact CG2-SD 3.71Å
308D97.6Very high98.4Very high43 Ų4356.7 Ų56.723%0.2331%0.309CS..  trans-77175.8175.567.532000112.1R197 F310 A311 R312R197-D308 IonicContact CZ-OD2 3.25Å; R197-D308 IonicContact NE-OD2 3.78Å; R197-D308 PolarHBondContact NE-OD2 3.25Å; R197-D308 IonicContact NH2-OD2 2.71Å; R197-D308 PolarHBondContact NH2-OD2 3.45Å; D308-F310 VanDerWaalsContact C-N 3.3Å; D308-F310 PolarHBondContact O-N 3.4Å; D308-F310 WeakPolarHBondContact OD1-CB 3.46Å; D308-F310 PolarHBondContact OD1-N 2.91Å; D308-F310 VanDerWaalsContact OD1-N 3.1Å; D308-A311 PolarHBondContact O-N 2.93Å; D308-A311 WeakPolarHBondContact OD1-CB 3.35Å; D308-A311 PolarHBondContact OD1-N 2.91Å; D308-R312 VanDerWaalsContact O-CB 3.32Å; D308-R312 WeakPolarHBondContact O-CB 3.21Å; D308-R312 PolarHBondContact O-N 3.29Å
309S98.1Very high98.5Very high106 Ų10655.6 Ų55.674%0.74130%0.304SS*.Hα-helixtrans-61.1-36.7-177.753.50000113.2R312 E313S309-R312 PolarHBondContact O-N 3.41Å; S309-E313 PolarHBondContact O-N 2.63Å
310F98.3Very high98.5Very high34 Ų3460.3 Ų60.315%0.14933%0.325CS..Hα-helixtrans-68.3-48.4178.3174.6-97.5000111.1F193 K221 I225 D308 R312 E313 K314F193-F310 HydrophobicContact CE2-CE1 4.01Å; F193-F310 HydrophobicContact CZ-CD1 4.49Å; F193-F310 HydrophobicContact CZ-CE1 4.27Å; K221-F310 HydrophobicContact CB-CE1 4.11Å; K221-F310 HydrophobicContact CB-CE2 4.02Å; K221-F310 HydrophobicContact CB-CZ 3.65Å; K221-F310 HydrophobicContact CD-CD1 4.16Å; K221-F310 HydrophobicContact CD-CD2 4.17Å; K221-F310 HydrophobicContact CD-CE1 4.24Å; K221-F310 HydrophobicContact CD-CE2 4.23Å; K221-F310 HydrophobicContact CD-CG 4.12Å; K221-F310 HydrophobicContact CD-CZ 4.27Å; K221-F310 HydrophobicContact CG-CD1 4.1Å; K221-F310 HydrophobicContact CG-CE1 3.72Å; K221-F310 HydrophobicContact CG-CE2 4.21Å; K221-F310 HydrophobicContact CG-CG 4.5Å; K221-F310 HydrophobicContact CG-CZ 3.78Å; I225-F310 HydrophobicContact CD1-CE1 3.96Å; I225-F310 HydrophobicContact CD1-CZ 3.74Å; D308-F310 VanDerWaalsContact C-N 3.3Å; D308-F310 PolarHBondContact O-N 3.4Å; D308-F310 WeakPolarHBondContact OD1-CB 3.46Å; D308-F310 PolarHBondContact OD1-N 2.91Å; D308-F310 VanDerWaalsContact OD1-N 3.1Å; F310-R312 VanDerWaalsContact C-N 3.29Å; F310-R312 PolarHBondContact O-N 3.48Å; F310-E313 PolarHBondContact O-N 3.31Å; F310-K314 HydrophobicContact CE1-CG 4.22Å; F310-K314 HydrophobicContact CE2-CG 4.45Å; F310-K314 HydrophobicContact CZ-CG 4.13Å; F310-K314 WeakPolarHBondContact O-CG 3.35Å; F310-K314 PolarHBondContact O-N 3.3Å; F310-K314 VanDerWaalsContact O-N 3.14Å
311A98.5Very high98.5Very high5 Ų555 Ų554%0.04130%0.302CS..Hα-helixtrans-60.1-42.1175.400000110.9F193 I307 D308 E313 K314 M315F193-A311 HydrophobicContact CE1-CB 3.7Å; F193-A311 HydrophobicContact CZ-CB 4.16Å; I307-A311 HydrophobicContact CG2-CB 3.77Å; D308-A311 PolarHBondContact O-N 2.93Å; D308-A311 WeakPolarHBondContact OD1-CB 3.35Å; D308-A311 PolarHBondContact OD1-N 2.91Å; A311-E313 PolarHBondContact O-N 3.05Å; A311-K314 PolarHBondContact O-N 3.4Å; A311-M315 WeakPolarHBondContact O-CB 3.45Å; A311-M315 WeakPolarHBondContact O-CG 3.21Å; A311-M315 PolarHBondContact O-N 2.82Å
312R98.7Very high98.4Very high78 Ų7854.7 Ų54.729%0.29430%0.3SS..Hα-helixtrans-59-48.3177.1-175.350.646.5-179.90112.1Y278 I307 D308 S309 F310 K314 M315 T316Y278-R312 PolarHBondContact O-NH1 2.83Å; Y278-R312 PolarHBondContact O-NH2 2.84Å; I307-R312 HydrophobicContact CG2-CB 4.19Å; D308-R312 VanDerWaalsContact O-CB 3.32Å; D308-R312 WeakPolarHBondContact O-CB 3.21Å; D308-R312 PolarHBondContact O-N 3.29Å; S309-R312 PolarHBondContact O-N 3.41Å; F310-R312 VanDerWaalsContact C-N 3.29Å; F310-R312 PolarHBondContact O-N 3.48Å; R312-K314 PolarHBondContact O-N 3.2Å; R312-M315 PolarHBondContact O-N 2.95Å; R312-T316 WeakPolarHBondContact O-CB 3.49Å; R312-T316 PolarHBondContact O-N 3.02Å; R312-T316 PolarHBondContact O-OG1 2.96Å; R312-T316 VanDerWaalsContact O-OG1 3.09Å
313E98.6Very high98.4Very high118 Ų11856.2 Ų56.255%0.55131%0.306SS*.Hα-helixtrans-56.1-49176.9-174.4-158.1125.800111.4S309 F310 A311 T316 L317S309-E313 PolarHBondContact O-N 2.63Å; F310-E313 PolarHBondContact O-N 3.31Å; A311-E313 PolarHBondContact O-N 3.05Å; E313-T316 PolarHBondContact O-N 2.55Å; E313-L317 PolarHBondContact O-N 2.96Å
314K98.7Very high98.3Very high51 Ų5155.3 Ų55.322%0.22230%0.302CS..Hα-helixtrans-65.2-41.7179.4-62.4-54.7-179.1-155.30112.5F193 F310 A311 R312 L317 T318F193-K314 HydrophobicContact CB-CB 3.89Å; F193-K314 HydrophobicContact CD1-CB 3.89Å; F193-K314 HydrophobicContact CD2-CB 3.91Å; F193-K314 HydrophobicContact CD2-CG 4.1Å; F193-K314 HydrophobicContact CE1-CB 4.44Å; F193-K314 HydrophobicContact CE2-CB 4.47Å; F193-K314 HydrophobicContact CE2-CG 4.38Å; F193-K314 HydrophobicContact CG-CB 3.61Å; F193-K314 HydrophobicContact CG-CG 4.31Å; F310-K314 HydrophobicContact CE1-CG 4.22Å; F310-K314 HydrophobicContact CE2-CG 4.45Å; F310-K314 HydrophobicContact CZ-CG 4.13Å; F310-K314 WeakPolarHBondContact O-CG 3.35Å; F310-K314 PolarHBondContact O-N 3.3Å; F310-K314 VanDerWaalsContact O-N 3.14Å; A311-K314 PolarHBondContact O-N 3.4Å; R312-K314 PolarHBondContact O-N 3.2Å; K314-L317 PolarHBondContact O-N 3.17Å; K314-T318 PolarHBondContact O-N 2.79Å
315M98.9Very high98.3Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-62.7-41.1176.2-72.817571.500111.9W185 F193 I280 Y286 I307 A311 R312 T318 Q319W185-M315 HydrophobicContact CB-CG 4.11Å; W185-M315 HydrophobicContact CD2-CE 4.06Å; W185-M315 HydrophobicContact CD2-CG 4.45Å; W185-M315 HydrophobicContact CD2-SD 4.2Å; W185-M315 HydrophobicContact CE3-CE 3.62Å; W185-M315 HydrophobicContact CE3-SD 4.36Å; W185-M315 HydrophobicContact CG-CG 4.17Å; W185-M315 HydrophobicContact CG-SD 4.48Å; W185-M315 HydrophobicContact CH2-CE 4.47Å; W185-M315 HydrophobicContact CZ3-CE 3.82Å; F193-M315 HydrophobicContact CD1-CG 4.17Å; I280-M315 HydrophobicContact CD1-CE 4.25Å; Y286-M315 WeakPolarHBondContact OH-CA 3.27Å; Y286-M315 PolarHBondContact OH-O 2.71Å; I307-M315 HydrophobicContact CD1-SD 4.02Å; I307-M315 HydrophobicContact CG1-SD 4.4Å; I307-M315 HydrophobicContact CG2-SD 3.71Å; A311-M315 WeakPolarHBondContact O-CB 3.45Å; A311-M315 WeakPolarHBondContact O-CG 3.21Å; A311-M315 PolarHBondContact O-N 2.82Å; R312-M315 PolarHBondContact O-N 2.95Å; M315-T318 VanDerWaalsContact O-CG2 3.28Å; M315-T318 WeakPolarHBondContact O-CG2 3.47Å; M315-Q319 VanDerWaalsContact O-CB 3.26Å; M315-Q319 WeakPolarHBondContact O-CB 3.44Å; M315-Q319 PolarHBondContact O-N 2.92Å
316T98.8Very high98.2Very high68 Ų6853.8 Ų53.842%0.41727%0.272SS..Hα-helixtrans-66.5-39.3177-65.40000111.9R312 E313 T318 Q319 K320R312-T316 WeakPolarHBondContact O-CB 3.49Å; R312-T316 PolarHBondContact O-N 3.02Å; R312-T316 PolarHBondContact O-OG1 2.96Å; R312-T316 VanDerWaalsContact O-OG1 3.09Å; E313-T316 PolarHBondContact O-N 2.55Å; T316-T318 PolarHBondContact O-N 3.13Å; T316-Q319 PolarHBondContact O-N 3.2Å; T316-K320 WeakPolarHBondContact O-CB 3.23Å; T316-K320 PolarHBondContact O-N 3.14Å
317L98.6Very high98.1Very high95 Ų9553.6 Ų53.650%0.49726%0.264SS..Hα-helixtrans-58.4-49.3177177.764.9000111.9E313 K314 K320 E321E313-L317 PolarHBondContact O-N 2.96Å; K314-L317 PolarHBondContact O-N 3.17Å; L317-K320 PolarHBondContact O-N 3.13Å; L317-E321 PolarHBondContact O-N 3.5Å
318T98.8Very high97.9Very high0 Ų054.7 Ų54.70%027%0.269CS..Hα-helixtrans-75.6-29.8-179-167.40000113G186 N187 T191 Y286 K314 M315 T316 L322G186-T318 VanDerWaalsContact CA-CG2 3.44Å; G186-T318 WeakPolarHBondContact CA-OG1 3.26Å; N187-T318 PolarHBondContact N-OG1 3.17Å; T191-T318 WeakPolarHBondContact O-CB 3.38Å; T191-T318 WeakPolarHBondContact OG1-CA 3.32Å; T191-T318 VanDerWaalsContact OG1-CB 3.29Å; T191-T318 WeakPolarHBondContact OG1-CB 3.09Å; T191-T318 PolarHBondContact OG1-OG1 3.01Å; Y286-T318 HydrophobicContact CE2-CG2 3.96Å; Y286-T318 VanDerWaalsContact OH-CG2 3.29Å; Y286-T318 WeakPolarHBondContact OH-CG2 3.12Å; K314-T318 PolarHBondContact O-N 2.79Å; M315-T318 VanDerWaalsContact O-CG2 3.28Å; M315-T318 WeakPolarHBondContact O-CG2 3.47Å; T316-T318 PolarHBondContact O-N 3.13Å; T318-L322 PolarHBondContact O-N 2.85Å
319Q98.7Very high97.8Very high27 Ų2752.7 Ų52.713%0.12626%0.258CS..Hα-helixtrans-60.2-49.4169.8-178.4-164.8-4700110.7I280 L284 Y286 M315 T316 E321 L322 E323I280-Q319 HydrophobicContact CD1-CB 4.43Å; I280-Q319 HydrophobicContact CD1-CG 4.41Å; L284-Q319 HydrophobicContact CD2-CG 4.02Å; Y286-Q319 HydrophobicContact CE2-CB 4Å; M315-Q319 VanDerWaalsContact O-CB 3.26Å; M315-Q319 WeakPolarHBondContact O-CB 3.44Å; M315-Q319 PolarHBondContact O-N 2.92Å; T316-Q319 PolarHBondContact O-N 3.2Å; Q319-E321 VanDerWaalsContact C-N 3.31Å; Q319-E321 PolarHBondContact O-N 2.86Å; Q319-L322 WeakPolarHBondContact O-CB 3.44Å; Q319-L322 PolarHBondContact O-N 3.32Å; Q319-E323 HydrophobicContact CG-CG 4.4Å; Q319-E323 PolarHBondContact NE2-OE2 3.36Å; Q319-E323 WeakPolarHBondContact O-CG 3.29Å; Q319-E323 PolarHBondContact O-N 3.48Å
320K98.6Very high97.7Very high121 Ų12150.5 Ų50.553%0.52624%0.237SC..Hα-helixtrans-57.3-44.6-179.5-178.2178.5173.8179.90111.7T316 L317 L322 E323 E324T316-K320 WeakPolarHBondContact O-CB 3.23Å; T316-K320 PolarHBondContact O-N 3.14Å; L317-K320 PolarHBondContact O-N 3.13Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3.49Å; K320-E323 PolarHBondContact O-N 3.31Å; K320-E324 WeakPolarHBondContact CE-OE1 3.23Å; K320-E324 WeakPolarHBondContact O-CG 3.49Å; K320-E324 PolarHBondContact O-N 3.03Å
321E98.2Very high97.6Very high31 Ų3155.2 Ų55.215%0.14526%0.258CS..Hα-helixtrans-58.2-43.8175.2-178.6-177.4-132.200112R98 N187 S189 T191 L317 Q319 E324 E325R98-E321 IonicContact NH2-OE1 2.84Å; R98-E321 PolarHBondContact NH2-OE1 3.34Å; R98-E321 VanDerWaalsContact NH2-OE1 3.13Å; N187-E321 PolarHBondContact ND2-OE2 3.42Å; S189-E321 WeakPolarHBondContact CB-OE2 3.41Å; S189-E321 PolarHBondContact OG-OE2 2.95Å; T191-E321 WeakPolarHBondContact CB-OE2 3.36Å; T191-E321 HydrophobicContact CG2-CB 4.26Å; T191-E321 HydrophobicContact CG2-CG 4.45Å; T191-E321 VanDerWaalsContact CG2-OE2 3.27Å; T191-E321 WeakPolarHBondContact CG2-OE2 3.48Å; T191-E321 PolarHBondContact OG1-OE2 3.28Å; L317-E321 PolarHBondContact O-N 3.5Å; Q319-E321 VanDerWaalsContact C-N 3.31Å; Q319-E321 PolarHBondContact O-N 2.86Å; E321-E324 PolarHBondContact O-N 3.44Å; E321-E325 HydrophobicContact CG-CG 4.5Å; E321-E325 WeakPolarHBondContact O-CB 3.36Å; E321-E325 WeakPolarHBondContact O-CG 3.43Å; E321-E325 PolarHBondContact O-N 3.31Å
322L98.3Very high97.3Very high2 Ų256.9 Ų56.91%0.0127%0.269CS..Hα-helixtrans-67.3-37.3179.3-79.2169.3000112.8N134 N187 L284 Y286 T318 Q319 K320 R326N134-L322 HydrophobicContact CB-CD2 3.42Å; N134-L322 VanDerWaalsContact CB-CD2 3.42Å; N187-L322 HydrophobicContact CB-CD1 4.03Å; N187-L322 HydrophobicContact CB-CD2 3.84Å; N187-L322 HydrophobicContact CB-CG 3.72Å; N187-L322 VanDerWaalsContact CG-CD2 3.41Å; N187-L322 WeakPolarHBondContact OD1-CD2 3.2Å; L284-L322 HydrophobicContact CD1-CB 3.95Å; L284-L322 HydrophobicContact CD2-CB 3.95Å; L284-L322 HydrophobicContact CD2-CD1 4.46Å; L284-L322 HydrophobicContact CG-CB 4.14Å; Y286-L322 HydrophobicContact CD2-CD1 3.52Å; Y286-L322 HydrophobicContact CE2-CD1 4.22Å; Y286-L322 HydrophobicContact CG-CD1 4.24Å; T318-L322 PolarHBondContact O-N 2.85Å; Q319-L322 WeakPolarHBondContact O-CB 3.44Å; Q319-L322 PolarHBondContact O-N 3.32Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3.49Å; L322-R326 WeakPolarHBondContact O-CB 3.47Å; L322-R326 PolarHBondContact O-N 3.47Å
323E98.4Very high96.8Very high49 Ų4953.7 Ų53.723%0.22926%0.259CS..Hα-helixtrans-64.2-46.1175.6-69.7-178.6111.800110.9P281 L284 Q319 K320 R326 E327P281-E323 WeakPolarHBondContact CG-OE1 3.42Å; L284-E323 HydrophobicContact CD1-CG 4.34Å; L284-E323 HydrophobicContact CD2-CG 4.04Å; Q319-E323 HydrophobicContact CG-CG 4.4Å; Q319-E323 PolarHBondContact NE2-OE2 3.36Å; Q319-E323 WeakPolarHBondContact O-CG 3.29Å; Q319-E323 PolarHBondContact O-N 3.48Å; K320-E323 PolarHBondContact O-N 3.31Å; E323-R326 PolarHBondContact O-N 3.38Å; E323-E327 WeakPolarHBondContact O-CG 3.26Å; E323-E327 PolarHBondContact O-N 3.48Å
324E97.2Very high95.7Very high92 Ų9255 Ų5543%0.4329%0.29SS..Hα-helixtrans-61.3-46.1175.6-70.4172.2179.700111.9K320 E321 R326 E327 E328K320-E324 WeakPolarHBondContact CE-OE1 3.23Å; K320-E324 WeakPolarHBondContact O-CG 3.49Å; K320-E324 PolarHBondContact O-N 3.03Å; E321-E324 PolarHBondContact O-N 3.44Å; E324-R326 PolarHBondContact O-N 3.43Å; E324-E327 PolarHBondContact O-N 3.36Å; E324-E328 WeakPolarHBondContact O-CB 3.36Å; E324-E328 PolarHBondContact O-N 2.94Å
325E96.3Very high95.6Very high18 Ų1855.2 Ų55.28%0.08429%0.293CS..Hα-helixtrans-62.4-41.8176.2-77.8-169.7-177.900112.1R98 T135 E321 E328 A329R98-E325 IonicContact CZ-OE1 3.5Å; R98-E325 IonicContact NE-OE1 3.43Å; R98-E325 IonicContact NH2-OE1 2.63Å; R98-E325 PolarHBondContact NH2-OE1 2.92Å; T135-E325 HydrophobicContact CG2-CB 4.33Å; T135-E325 WeakPolarHBondContact OG1-CB 3.44Å; T135-E325 PolarHBondContact OG1-OE2 2.87Å; E321-E325 HydrophobicContact CG-CG 4.5Å; E321-E325 WeakPolarHBondContact O-CB 3.36Å; E321-E325 WeakPolarHBondContact O-CG 3.43Å; E321-E325 PolarHBondContact O-N 3.31Å; E325-E328 PolarHBondContact O-N 3.36Å; E325-A329 WeakPolarHBondContact O-CB 3.49Å; E325-A329 PolarHBondContact O-N 3.4Å
326R96Very high95.4Very high46 Ų4658.1 Ų58.117%0.17431%0.309CS..Hα-helixtrans-62.5-46.3178-178.5-175.765.6-176.9-3.9111.1F138 L284 L322 E323 E324 A329 L330F138-R326 HydrophobicContact CD1-CG 3.86Å; F138-R326 HydrophobicContact CE1-CG 3.52Å; F138-R326 HydrophobicContact CE2-CG 4.24Å; F138-R326 HydrophobicContact CG-CG 4.36Å; F138-R326 HydrophobicContact CZ-CG 3.73Å; L284-R326 HydrophobicContact CD1-CB 4.43Å; L322-R326 WeakPolarHBondContact O-CB 3.47Å; L322-R326 PolarHBondContact O-N 3.47Å; E323-R326 PolarHBondContact O-N 3.38Å; E324-R326 PolarHBondContact O-N 3.43Å; R326-A329 PolarHBondContact O-N 2.83Å; R326-L330 HydrophobicContact CG-CD1 4.13Å; R326-L330 WeakPolarHBondContact O-CB 2.97Å; R326-L330 VanDerWaalsContact O-CG 3.27Å; R326-L330 WeakPolarHBondContact O-CG 3.49Å; R326-L330 PolarHBondContact O-N 3.37Å
327E96Very high95.2Very high105 Ų10557.6 Ų57.649%0.49130%0.303SS..Hα-helixtrans-61.3-45.1178.8-74.8175.2-171.100111.6E323 E324 L330 K331E323-E327 WeakPolarHBondContact O-CG 3.26Å; E323-E327 PolarHBondContact O-N 3.48Å; E324-E327 PolarHBondContact O-N 3.36Å; E327-L330 PolarHBondContact O-N 3.2Å; E327-K331 WeakPolarHBondContact O-CG 3.32Å; E327-K331 PolarHBondContact O-N 2.77Å; E327-K331 VanDerWaalsContact O-N 3.11Å
328E95.2Very high95Very high60 Ų6055.4 Ų55.428%0.2829%0.291SS..Hα-helixtrans-66.8-38.5177.9-167.663.1-165.600112.3L102 E324 E325 L330 K331 S332L102-E328 HydrophobicContact CD2-CB 3.7Å; L102-E328 HydrophobicContact CD2-CG 3.76Å; E324-E328 WeakPolarHBondContact O-CB 3.36Å; E324-E328 PolarHBondContact O-N 2.94Å; E325-E328 PolarHBondContact O-N 3.36Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.04Å; E328-K331 PolarHBondContact O-N 2.64Å; E328-K331 IonicContact OE2-NZ 3.07Å; E328-K331 PolarHBondContact OE2-NZ 3.36Å; E328-S332 PolarHBondContact O-N 2.71Å; E328-S332 PolarHBondContact O-OG 3.46Å
329A95.9Very high94.8Very high0 Ų058.8 Ų58.80%031%0.309CS..Hα-helixtrans-64.4-37.8175.400000112.1L102 V106 T135 I139 E325 R326 S332 C333L102-A329 HydrophobicContact CD1-CB 4.22Å; L102-A329 HydrophobicContact CD2-CB 4.16Å; L102-A329 HydrophobicContact CG-CB 4.27Å; V106-A329 HydrophobicContact CG2-CB 3.73Å; T135-A329 HydrophobicContact CG2-CB 3.51Å; I139-A329 HydrophobicContact CD1-CB 3.91Å; I139-A329 HydrophobicContact CG1-CB 4.14Å; E325-A329 WeakPolarHBondContact O-CB 3.49Å; E325-A329 PolarHBondContact O-N 3.4Å; R326-A329 PolarHBondContact O-N 2.83Å; A329-S332 PolarHBondContact O-N 3.1Å; A329-C333 PolarHBondContact O-N 2.87Å; A329-C333 PolarHBondContact O-SG 3.38Å
330L95.6Very high94.5Very high60 Ų6060.9 Ų60.931%0.31432%0.321SS..Hα-helixtrans-67.4-36.5176.1-75.5170.7000112.5F138 K142 R326 E327 E328 S332 C333F138-L330 HydrophobicContact CE1-CD1 4.26Å; F138-L330 HydrophobicContact CE1-CD2 3.81Å; F138-L330 HydrophobicContact CE1-CG 3.94Å; F138-L330 HydrophobicContact CZ-CD1 4.26Å; F138-L330 HydrophobicContact CZ-CD2 4.12Å; F138-L330 HydrophobicContact CZ-CG 4.37Å; K142-L330 HydrophobicContact CD-CD2 4.06Å; R326-L330 HydrophobicContact CG-CD1 4.13Å; R326-L330 WeakPolarHBondContact O-CB 2.97Å; R326-L330 VanDerWaalsContact O-CG 3.27Å; R326-L330 WeakPolarHBondContact O-CG 3.49Å; R326-L330 PolarHBondContact O-N 3.37Å; E327-L330 PolarHBondContact O-N 3.2Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.04Å; L330-S332 PolarHBondContact O-N 3Å; L330-C333 WeakPolarHBondContact O-CB 3.43Å; L330-C333 PolarHBondContact O-N 3.09Å; L330-C333 VanDerWaalsContact O-N 3.1Å
331K94.9Very high94.2Very high133 Ų13356.6 Ų56.658%0.57831%0.307SS*.Hα-helixtrans-61.5-33.1172.7-66.7173.6-156.4159.10112E327 E328 C333E327-K331 WeakPolarHBondContact O-CG 3.32Å; E327-K331 PolarHBondContact O-N 2.77Å; E327-K331 VanDerWaalsContact O-N 3.11Å; E328-K331 PolarHBondContact O-N 2.64Å; E328-K331 IonicContact OE2-NZ 3.07Å; E328-K331 PolarHBondContact OE2-NZ 3.36Å; K331-C333 VanDerWaalsContact C-N 3.25Å; K331-C333 PolarHBondContact O-N 2.89Å
332S92.4Very high93.9Very high40 Ų4058.6 Ų58.628%0.2832%0.319SS..THydrogen-bonded Turntrans-79-5177.6-56.80000113.9E328 A329 L330E328-S332 PolarHBondContact O-N 2.71Å; E328-S332 PolarHBondContact O-OG 3.46Å; A329-S332 PolarHBondContact O-N 3.1Å; L330-S332 PolarHBondContact O-N 3Å
333C88.6Confident93.6Very high11 Ų1163.3 Ų63.37%0.07435%0.345CS..THydrogen-bonded Turntrans-89.8-23.3178-75.30000113.9V106 K110 Y143 A329 L330 K331V106-C333 WeakPolarHBondContact CG1-SG 3.34Å; K110-C333 PolarHBondContact NZ-O 2.58Å; Y143-C333 WeakPolarHBondContact OH-CB 3.22Å; A329-C333 PolarHBondContact O-N 2.87Å; A329-C333 PolarHBondContact O-SG 3.38Å; L330-C333 WeakPolarHBondContact O-CB 3.43Å; L330-C333 PolarHBondContact O-N 3.09Å; L330-C333 VanDerWaalsContact O-N 3.1Å; K331-C333 VanDerWaalsContact C-N 3.25Å; K331-C333 PolarHBondContact O-N 2.89Å
334A76.6Confident93.1Very high146 Ų14664.6 Ų64.6100%1.20736%0.356SS*.  trans-66.30175.100000110.4

Retrieved 334 of 334 residues in 131.8 ms (Link to these results)

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