A0A077Z5U7_TRITR Loading...

Glutamine--fructose-6-phosphate aminotransferase [isomerizing]

AlphaFold DB , UniProt , Accession A0A077Z5U7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 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
1M68.1Low93.6Very high1 Ų128.3 Ų28.31%0.00513%0.127CC..  0114.60-62.6142.882.300107.8R27 W75 A603 S605 V606 T607 V608M1-R27 CarbonylContact C-O 3.55Å; M1-R27 WeakPolarHBondContact CB-O 3.48Å; M1-W75 HydrophobicContact CB-CB 3.85Å; M1-W75 HydrophobicContact CB-CD2 4.24Å; M1-W75 HydrophobicContact CB-CE3 4.07Å; M1-W75 HydrophobicContact CB-CG 4.23Å; M1-W75 HydrophobicContact CG-CD2 4.31Å; M1-W75 HydrophobicContact CG-CE3 3.98Å; M1-W75 HydrophobicContact CG-CZ3 4.34Å; M1-W75 WeakPolarHBondContact O-CA 3.4Å; M1-W75 WeakPolarHBondContact O-CB 3.43Å; M1-W75 PolarHBondContact O-N 2.87Å; M1-W75 HydrophobicContact SD-CD2 3.59Å; M1-W75 VanDerWaalsContact SD-CD2 3.59Å; M1-W75 HydrophobicContact SD-CE3 3.66Å; M1-W75 HydrophobicContact SD-CG 4.12Å; M1-W75 HydrophobicContact SD-CH2 4.06Å; M1-W75 HydrophobicContact SD-CZ2 4.06Å; M1-W75 HydrophobicContact SD-CZ3 3.87Å; M1-A603 HydrophobicContact CE-CB 3.13Å; M1-A603 VanDerWaalsContact CE-O 3.29Å; M1-A603 WeakPolarHBondContact CE-O 3.34Å; M1-A603 HydrophobicContact SD-CB 4.12Å; M1-S605 WeakPolarHBondContact CE-O 3.5Å; M1-S605 WeakPolarHBondContact CG-O 3.33Å; M1-V606 HydrophobicContact CE-CB 4.15Å; M1-V606 HydrophobicContact CE-CG2 3.64Å; M1-V606 VanDerWaalsContact CG-CA 3.47Å; M1-V606 HydrophobicContact CG-CB 4.4Å; M1-V606 HydrophobicContact CG-CG1 4.34Å; M1-V606 VanDerWaalsContact SD-CA 3.5Å; M1-V606 HydrophobicContact SD-CB 3.95Å; M1-V606 HydrophobicContact SD-CG1 3.97Å; M1-V606 HydrophobicContact SD-CG2 3.77Å; M1-T607 VanDerWaalsContact CA-OG1 3.32Å; M1-T607 WeakPolarHBondContact CA-OG1 3.43Å; M1-V608 HydrophobicContact CG-CG2 4.41Å; M1-V608 VanDerWaalsContact N-CG2 3.32Å
2C85.4Confident93.9Very high8 Ų832.6 Ų32.65%0.05415%0.152CC..EExtended strand (participates in β ladder)trans-142.9159.5-176.6-610000110.2R27 H72 T73 N99C2-R27 WeakPolarHBondContact O-CD 3.3Å; C2-H72 WeakPolarHBondContact CB-NE2 3.33Å; C2-H72 PolarHBondContact SG-CE1 2.95Å; C2-H72 PolarHBondContact SG-NE2 3.02Å; C2-H72 VanDerWaalsContact SG-NE2 3.43Å; C2-T73 CarbonylContact C-O 3.46Å; C2-T73 WeakPolarHBondContact CA-O 3.33Å; C2-T73 VanDerWaalsContact CB-O 3.25Å; C2-T73 WeakPolarHBondContact CB-O 3.48Å; C2-N99 HydrophobicContact CB-CB 3.87Å; C2-N99 PolarHBondContact N-OD1 3.06Å; C2-N99 PolarHBondContact O-ND2 3.07Å
3G92.4Very high94.2Very high0 Ų030.1 Ų30.10%014%0.14CC..EExtended strand (participates in β ladder)trans-111.1128.8168.700000109.8H72 T73G3-H72 CarbonylContact O-C 3.47Å; G3-H72 VanDerWaalsContact O-CA 3.23Å; G3-H72 WeakPolarHBondContact O-CA 3.49Å; G3-T73 PolarHBondContact N-O 2.92Å; G3-T73 PolarHBondContact O-N 2.76Å
4I97.7Very high94.5Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-108.7142.3170.9-66.5164.8000109.5L24 V97 N99 G158 V160 A191 S192I4-L24 VanDerWaalsContact O-CD1 3.32Å; I4-L24 WeakPolarHBondContact O-CD1 3.14Å; I4-V97 HydrophobicContact CB-CG2 4.4Å; I4-V97 HydrophobicContact CD1-CG2 4.36Å; I4-V97 HydrophobicContact CG1-CB 4.28Å; I4-V97 HydrophobicContact CG1-CG2 4.07Å; I4-V97 HydrophobicContact CG2-CG2 3.52Å; I4-N99 HydrophobicContact CD1-CB 3.84Å; I4-N99 HydrophobicContact CG1-CB 4.36Å; I4-G158 WeakPolarHBondContact CD1-O 3.35Å; I4-V160 HydrophobicContact CG2-CB 4.3Å; I4-V160 HydrophobicContact CG2-CG2 3.68Å; I4-A191 CarbonylContact O-C 3.54Å; I4-A191 WeakPolarHBondContact O-CA 3.5Å; I4-A191 WeakPolarHBondContact O-CB 3.31Å; I4-S192 WeakPolarHBondContact CB-OG 3.37Å; I4-S192 PolarHBondContact N-OG 3.44Å; I4-S192 PolarHBondContact O-N 3.11Å
5V98.6Very high94.7Very high0 Ų035.7 Ų35.70%017%0.169CC..EExtended strand (participates in β ladder)trans-134.1140.6164.6-166.30000108.5L17 L21 L24 I70 A71 I190 A196 L197V5-L17 HydrophobicContact CB-CD2 4.07Å; V5-L17 HydrophobicContact CG1-CD2 3.82Å; V5-L21 HydrophobicContact CG2-CD2 4Å; V5-L21 HydrophobicContact CG2-CG 4.5Å; V5-L24 HydrophobicContact CG2-CD1 3.71Å; V5-I70 CarbonylContact O-C 3.49Å; V5-I70 WeakPolarHBondContact O-CA 3.45Å; V5-A71 PolarHBondContact N-O 3.07Å; V5-A71 PolarHBondContact O-N 3.17Å; V5-I190 CarbonylContact C-O 3.59Å; V5-I190 WeakPolarHBondContact CA-O 3.31Å; V5-A196 HydrophobicContact CG2-CB 4.27Å; V5-L197 HydrophobicContact CG1-CD2 4.19Å
6G98.7Very high94.9Very high0 Ų034.8 Ų34.80%017%0.165CC..EExtended strand (participates in β ladder)trans-138.4146.5172.200000110.1G69 F189 I190G6-G69 WeakPolarHBondContact CA-O 3.5Å; G6-F189 CarbonylContact O-C 3.18Å; G6-F189 VanDerWaalsContact O-CA 3.31Å; G6-F189 WeakPolarHBondContact O-CA 3.46Å; G6-I190 PolarHBondContact N-O 3.1Å; G6-I190 PolarHBondContact O-N 3.41Å
7A98.8Very high95.1Very high0 Ų032.8 Ų32.80%016%0.156CC..EExtended strand (participates in β ladder)trans-144.8140.2-17800000110.3V13 L17 T68 G69 F189A7-V13 HydrophobicContact CB-CB 3.73Å; A7-V13 HydrophobicContact CB-CG1 3.72Å; A7-V13 HydrophobicContact CB-CG2 4.17Å; A7-L17 HydrophobicContact CB-CD2 3.97Å; A7-L17 HydrophobicContact CB-CG 4.48Å; A7-T68 WeakPolarHBondContact O-CA 3.46Å; A7-G69 PolarHBondContact N-O 3Å; A7-G69 PolarHBondContact O-N 3.22Å; A7-F189 HydrophobicContact CB-CD1 3.71Å; A7-F189 HydrophobicContact CB-CE1 4.03Å
8I98.6Very high95.2Very high4 Ų431.2 Ų31.22%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-135.8110.4171.6-177.2162000109.8G67 P167 D168 L170 E187 N188 I215 R217I8-G67 WeakPolarHBondContact CA-O 3.46Å; I8-P167 WeakPolarHBondContact CD1-O 3.36Å; I8-D168 VanDerWaalsContact CD1-O 3.26Å; I8-D168 WeakPolarHBondContact CD1-O 3.47Å; I8-L170 HydrophobicContact CB-CD1 4.35Å; I8-E187 VanDerWaalsContact O-CA 3.28Å; I8-E187 WeakPolarHBondContact O-CA 3.49Å; I8-E187 WeakPolarHBondContact O-CB 3.19Å; I8-N188 HydrophobicContact CG2-CB 4.06Å; I8-N188 WeakPolarHBondContact CG2-O 3.45Å; I8-N188 PolarHBondContact N-O 3.24Å; I8-N188 PolarHBondContact O-N 3.02Å; I8-I215 HydrophobicContact CG2-CG2 4.06Å; I8-R217 HydrophobicContact CG1-CB 4.12Å
9A98.2Very high95.3Very high9 Ų932.4 Ų32.47%0.07415%0.154CC..  trans-143.9177.3-17100000111.7R11 V13 G67 E187A9-R11 HydrophobicContact CB-CG 4.11Å; A9-V13 HydrophobicContact CB-CG1 3.73Å; A9-G67 PolarHBondContact N-O 3.24Å; A9-E187 HydrophobicContact CB-CB 3.67Å; A9-E187 WeakPolarHBondContact CB-OE2 3.43Å
10Q95.9Very high95.3Very high166 Ų16630.8 Ų30.878%0.77615%0.146SC*.SBendtrans-86-29.6169.7-169.6168.9-16.800113
11R97.2Very high95.4Very high123 Ų12329.3 Ų29.346%0.46414%0.139SC..SBendtrans-88.3164.1-179.958.5176.4170.4154.2-4.9110.5A9 V13 G67 E187A9-R11 HydrophobicContact CB-CG 4.11Å; R11-V13 PolarHBondContact O-N 3.47Å; R11-G67 WeakPolarHBondContact O-CA 3.24Å; R11-E187 IonicContact CZ-OE1 3.7Å; R11-E187 IonicContact CZ-OE2 2.6Å; R11-E187 IonicContact NE-OE1 2.8Å; R11-E187 IonicContact NE-OE2 3.51Å; R11-E187 PolarHBondContact NE-OE2 2.81Å; R11-E187 IonicContact NH2-OE1 3.41Å; R11-E187 PolarHBondContact NH2-OE1 3.47Å; R11-E187 IonicContact NH2-OE2 3.65Å; R11-E187 PolarHBondContact NH2-OE2 3.13Å
12D97.3Very high96.5Very high80 Ų8033.3 Ų33.343%0.42815%0.154SC..  trans-55.5132.9170.1-75.1-21.8000111H65 G66D12-H65 WeakPolarHBondContact OD1-CA 3.24Å; D12-H65 IonicContact OD2-CE1 2.69Å; D12-H65 IonicContact OD2-CG 3.47Å; D12-H65 IonicContact OD2-ND1 3.35Å; D12-H65 PolarHBondContact OD2-ND1 3.34Å; D12-G66 WeakPolarHBondContact CA-O 2.85Å; D12-G66 PolarHBondContact OD1-N 3.44Å
13V98.4Very high96.7Very high0 Ų034.7 Ų34.70%016%0.158CC..  trans-104.5-5.2-177.3-62.40000114.1A7 A9 R11 E15 I16 L17 V36 G66 G67A7-V13 HydrophobicContact CB-CB 3.73Å; A7-V13 HydrophobicContact CB-CG1 3.72Å; A7-V13 HydrophobicContact CB-CG2 4.17Å; A9-V13 HydrophobicContact CB-CG1 3.73Å; R11-V13 PolarHBondContact O-N 3.47Å; V13-E15 PolarHBondContact O-N 3.06Å; V13-I16 WeakPolarHBondContact O-CB 3.38Å; V13-I16 PolarHBondContact O-N 2.91Å; V13-I16 VanDerWaalsContact O-N 3.07Å; V13-L17 HydrophobicContact CB-CG 4.48Å; V13-L17 HydrophobicContact CG2-CD1 3.9Å; V13-L17 HydrophobicContact CG2-CG 4.33Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.12Å; V13-V36 HydrophobicContact CG2-CG1 4.28Å; V13-G66 PolarHBondContact N-O 2.94Å; V13-G66 VanDerWaalsContact N-O 3.11Å; V13-G67 VanDerWaalsContact CG1-O 3.29Å; V13-G67 WeakPolarHBondContact CG1-O 3.48Å
14A97.9Very high96.6Very high11 Ų1134.7 Ų34.79%0.09116%0.158CC..Hα-helixtrans-55-47-173.600000113.4I16 L17 L18 L34 L64A14-I16 PolarHBondContact O-N 3.32Å; A14-L17 PolarHBondContact O-N 3.49Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 3.4Å; A14-L34 HydrophobicContact CB-CD1 4.27Å; A14-L64 HydrophobicContact CB-CB 4.15Å
15E97.4Very high96.2Very high134 Ų13436.6 Ų36.663%0.62617%0.167SC*.Hα-helixtrans-63.9-38.5177.4-75.3-63.1148.700112.8V13 L18 E19V13-E15 PolarHBondContact O-N 3.06Å; E15-L18 PolarHBondContact O-N 2.78Å; E15-E19 VanDerWaalsContact O-CB 3.32Å; E15-E19 WeakPolarHBondContact O-CB 3.35Å; E15-E19 PolarHBondContact O-N 3.17Å
16I97.7Very high95.3Very high21 Ų2139 Ų3911%0.10818%0.177CC..Hα-helixtrans-65.9-43.1177.7-64162.5000110V13 A14 G20 F189 V200V13-I16 WeakPolarHBondContact O-CB 3.38Å; V13-I16 PolarHBondContact O-N 2.91Å; V13-I16 VanDerWaalsContact O-N 3.07Å; A14-I16 PolarHBondContact O-N 3.32Å; I16-G20 PolarHBondContact O-N 3.33Å; I16-F189 HydrophobicContact CD1-CE1 4.25Å; I16-F189 HydrophobicContact CG2-CD1 4.31Å; I16-F189 HydrophobicContact CG2-CE1 4.04Å; I16-V200 HydrophobicContact CD1-CG1 4.08Å; I16-V200 HydrophobicContact CG1-CG1 3.99Å; I16-V200 HydrophobicContact CG2-CG1 4Å; I16-V200 HydrophobicContact CG2-CG2 4.33Å
17L98.6Very high94.5Very high0 Ų039 Ų390%018%0.177CC..Hα-helixtrans-62.3-47.7176.8-67.9176.6000111.1V5 A7 V13 A14 G20 L21 L34 V36 A71V5-L17 HydrophobicContact CB-CD2 4.07Å; V5-L17 HydrophobicContact CG1-CD2 3.82Å; A7-L17 HydrophobicContact CB-CD2 3.97Å; A7-L17 HydrophobicContact CB-CG 4.48Å; V13-L17 HydrophobicContact CB-CG 4.48Å; V13-L17 HydrophobicContact CG2-CD1 3.9Å; V13-L17 HydrophobicContact CG2-CG 4.33Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.12Å; A14-L17 PolarHBondContact O-N 3.49Å; L17-G20 PolarHBondContact O-N 2.92Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.49Å; L17-L34 HydrophobicContact CB-CD1 4.45Å; L17-L34 HydrophobicContact CD1-CD1 4.26Å; L17-V36 HydrophobicContact CD1-CG1 4.04Å; L17-A71 HydrophobicContact CB-CB 3.81Å; L17-A71 HydrophobicContact CD1-CB 4.37Å; L17-A71 HydrophobicContact CD2-CB 4.16Å; L17-A71 HydrophobicContact CG-CB 4.33Å
18L97.8Very high93.9Very high4 Ų439 Ų392%0.02118%0.177CC..Hα-helixtrans-62.1-44.8177.9-75.5170.3000112.1A14 E15 G20 L21 R22 L34 L55 A56 A59A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 3.4Å; E15-L18 PolarHBondContact O-N 2.78Å; L18-G20 VanDerWaalsContact C-N 3.34Å; L18-G20 PolarHBondContact O-N 2.95Å; L18-L21 WeakPolarHBondContact O-CB 3.45Å; L18-L21 PolarHBondContact O-N 2.95Å; L18-L21 VanDerWaalsContact O-N 3.17Å; L18-R22 WeakPolarHBondContact O-CG 3.37Å; L18-R22 PolarHBondContact O-N 3.39Å; L18-L34 HydrophobicContact CD2-CD2 4.3Å; L18-L55 HydrophobicContact CD2-CD2 3.89Å; L18-L55 HydrophobicContact CD2-CG 3.98Å; L18-A56 HydrophobicContact CD2-CB 4.38Å; L18-A59 HydrophobicContact CD1-CB 3.89Å
19E96.1Very high93.4Very high55 Ų5539.7 Ų39.726%0.25718%0.179SC..Hα-helixtrans-62.5-42.9176.2178.657.3-16400111.5E15 L21 R22 R23 P199E15-E19 VanDerWaalsContact O-CB 3.32Å; E15-E19 WeakPolarHBondContact O-CB 3.35Å; E15-E19 PolarHBondContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.28Å; E19-L21 PolarHBondContact O-N 2.94Å; E19-R22 PolarHBondContact O-N 2.98Å; E19-R22 IonicContact OE2-NH1 3.58Å; E19-R22 PolarHBondContact OE2-NH1 3.21Å; E19-R23 WeakPolarHBondContact O-CG 3.27Å; E19-R23 PolarHBondContact O-N 2.88Å; E19-R23 IonicContact OE1-CZ 3.13Å; E19-R23 IonicContact OE1-NE 2.69Å; E19-R23 PolarHBondContact OE1-NE 3.23Å; E19-R23 IonicContact OE1-NH2 3.54Å; E19-R23 PolarHBondContact OE1-NH2 2.94Å; E19-P199 HydrophobicContact CG-CG 4.08Å
20G95.9Very high93.1Very high0 Ų040.7 Ų40.70%018%0.183CC..Hα-helixtrans-58.5-39.8173.300000112.4I16 L17 L18 R23 L24I16-G20 PolarHBondContact O-N 3.33Å; L17-G20 PolarHBondContact O-N 2.92Å; L18-G20 VanDerWaalsContact C-N 3.34Å; L18-G20 PolarHBondContact O-N 2.95Å; G20-R23 PolarHBondContact O-N 3.41Å; G20-L24 WeakPolarHBondContact O-CG 3.48Å; G20-L24 PolarHBondContact O-N 3.44Å
21L96.3Very high93.1Very high0 Ų032.8 Ų32.80%015%0.146CC..Hα-helixtrans-65.7-41.4175.4-70.5-170.4000113.1V5 L17 L18 E19 R23 L24 E25 A32 V52 L55 A71 H72 T73V5-L21 HydrophobicContact CG2-CD2 4Å; V5-L21 HydrophobicContact CG2-CG 4.5Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.49Å; L18-L21 WeakPolarHBondContact O-CB 3.45Å; L18-L21 PolarHBondContact O-N 2.95Å; L18-L21 VanDerWaalsContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.28Å; E19-L21 PolarHBondContact O-N 2.94Å; L21-R23 PolarHBondContact O-N 3.12Å; L21-L24 CarbonylContact O-C 3.51Å; L21-L24 WeakPolarHBondContact O-CA 3.25Å; L21-L24 PolarHBondContact O-N 3.45Å; L21-E25 PolarHBondContact O-N 3.27Å; L21-A32 HydrophobicContact CD1-CB 4.39Å; L21-V52 HydrophobicContact CB-CG1 3.7Å; L21-V52 HydrophobicContact CB-CG2 4.04Å; L21-L55 HydrophobicContact CD1-CD2 3.92Å; L21-A71 HydrophobicContact CD1-CB 3.91Å; L21-A71 HydrophobicContact CD2-CB 4.21Å; L21-A71 HydrophobicContact CG-CB 4.01Å; L21-H72 VanDerWaalsContact CD2-C 3.46Å; L21-T73 HydrophobicContact CD2-CG2 4.46Å
22R92.7Very high93.1Very high85 Ų8527 Ų2732%0.32113%0.125SC..Hα-helixtrans-56.2-41.1175.1-67.4-177.2-167.2103.55.1110.8L18 E19 L24 E25 V52L18-R22 WeakPolarHBondContact O-CG 3.37Å; L18-R22 PolarHBondContact O-N 3.39Å; E19-R22 PolarHBondContact O-N 2.98Å; E19-R22 IonicContact OE2-NH1 3.58Å; E19-R22 PolarHBondContact OE2-NH1 3.21Å; R22-L24 VanDerWaalsContact C-N 3.25Å; R22-L24 PolarHBondContact O-N 2.94Å; R22-E25 WeakPolarHBondContact O-CB 3.48Å; R22-E25 PolarHBondContact O-N 3.34Å; R22-V52 HydrophobicContact CG-CG1 3.93Å
23R89.6Confident93.1Very high37 Ų3723.2 Ų23.214%0.1410%0.104CC..Hα-helixtrans-71.8-17.1178.2-61-176.8178.7-124.5-14.8113.9E19 G20 L21 Y26 L195 Y241E19-R23 WeakPolarHBondContact O-CG 3.27Å; E19-R23 PolarHBondContact O-N 2.88Å; E19-R23 IonicContact OE1-CZ 3.13Å; E19-R23 IonicContact OE1-NE 2.69Å; E19-R23 PolarHBondContact OE1-NE 3.23Å; E19-R23 IonicContact OE1-NH2 3.54Å; E19-R23 PolarHBondContact OE1-NH2 2.94Å; G20-R23 PolarHBondContact O-N 3.41Å; L21-R23 PolarHBondContact O-N 3.12Å; R23-Y26 WeakPolarHBondContact O-CD1 3.43Å; R23-Y26 VanDerWaalsContact O-CE1 3.26Å; R23-Y26 WeakPolarHBondContact O-CE1 3.35Å; R23-L195 WeakPolarHBondContact CD-O 3.18Å; R23-Y241 HydrophobicContact CB-CE2 4.06Å; R23-Y241 HydrophobicContact CG-CE1 4.06Å; R23-Y241 HydrophobicContact CG-CE2 3.87Å; R23-Y241 VanDerWaalsContact CZ-CE1 3.45Å; R23-Y241 VanDerWaalsContact NH1-CB 3.26Å
24L90.4Very high93.2Very high0 Ų023.2 Ų23.20%010%0.104CC..Hα-helixtrans-105.22.6177-63.5175.8000113.2I4 V5 G20 L21 R22 Y26 R27 T73 D193 A196I4-L24 VanDerWaalsContact O-CD1 3.32Å; I4-L24 WeakPolarHBondContact O-CD1 3.14Å; V5-L24 HydrophobicContact CG2-CD1 3.71Å; G20-L24 WeakPolarHBondContact O-CG 3.48Å; G20-L24 PolarHBondContact O-N 3.44Å; L21-L24 CarbonylContact O-C 3.51Å; L21-L24 WeakPolarHBondContact O-CA 3.25Å; L21-L24 PolarHBondContact O-N 3.45Å; R22-L24 VanDerWaalsContact C-N 3.25Å; R22-L24 PolarHBondContact O-N 2.94Å; L24-Y26 HydrophobicContact CD2-CE1 4.16Å; L24-Y26 PolarHBondContact O-N 3.37Å; L24-Y26 VanDerWaalsContact O-N 3.12Å; L24-R27 VanDerWaalsContact O-CB 3.32Å; L24-R27 WeakPolarHBondContact O-CB 3.38Å; L24-R27 PolarHBondContact O-N 3.23Å; L24-T73 HydrophobicContact CB-CG2 4.29Å; L24-D193 HydrophobicContact CD2-CB 3.55Å; L24-A196 HydrophobicContact CD1-CB 3.85Å; L24-A196 HydrophobicContact CD2-CB 4.15Å; L24-A196 HydrophobicContact CG-CB 3.84Å
25E88.9Confident93.2Very high39 Ų3922.7 Ų22.718%0.18210%0.1CC..G310 helixtrans-61.7-24.5-175.9-167.2174.3-104.900112.5L21 R22 R27 G28 V52 Q598L21-E25 PolarHBondContact O-N 3.27Å; R22-E25 WeakPolarHBondContact O-CB 3.48Å; R22-E25 PolarHBondContact O-N 3.34Å; E25-R27 PolarHBondContact O-N 3.25Å; E25-R27 VanDerWaalsContact O-N 3.14Å; E25-G28 CarbonylContact O-C 3.43Å; E25-G28 PolarHBondContact O-N 3.49Å; E25-G28 VanDerWaalsContact O-O 3.09Å; E25-V52 HydrophobicContact CB-CG2 4.21Å; E25-V52 HydrophobicContact CG-CG2 4.06Å; E25-V52 VanDerWaalsContact OE1-CB 3.26Å; E25-V52 WeakPolarHBondContact OE1-CB 3.19Å; E25-V52 WeakPolarHBondContact OE1-CG2 3.14Å; E25-V52 PolarHBondContact OE1-N 3.31Å; E25-Q598 PolarHBondContact OE2-NE2 3Å
26Y78.8Confident93.3Very high51 Ų5116.3 Ų16.320%0.27%0.07CC..G310 helixtrans-59-23.9171.376.1-83.6000113.3R23 L24 D193 K604R23-Y26 WeakPolarHBondContact O-CD1 3.43Å; R23-Y26 VanDerWaalsContact O-CE1 3.26Å; R23-Y26 WeakPolarHBondContact O-CE1 3.35Å; L24-Y26 HydrophobicContact CD2-CE1 4.16Å; L24-Y26 PolarHBondContact O-N 3.37Å; L24-Y26 VanDerWaalsContact O-N 3.12Å; Y26-D193 PolarHBondContact OH-OD2 3.17Å; Y26-K604 HydrophobicContact CD2-CB 4.22Å; Y26-K604 HydrophobicContact CD2-CG 4.32Å; Y26-K604 VanDerWaalsContact O-CB 3.22Å; Y26-K604 WeakPolarHBondContact O-CB 3.34Å; Y26-K604 PolarHBondContact O-N 2.97Å
27R83.2Confident93.3Very high0 Ų015.3 Ų15.30%07%0.065CC..G310 helixtrans-82.7-13.5176.9-60.7-175.9173.5-108.10.8113.1M1 C2 L24 E25 D193 T607M1-R27 CarbonylContact C-O 3.55Å; M1-R27 WeakPolarHBondContact CB-O 3.48Å; C2-R27 WeakPolarHBondContact O-CD 3.3Å; L24-R27 VanDerWaalsContact O-CB 3.32Å; L24-R27 WeakPolarHBondContact O-CB 3.38Å; L24-R27 PolarHBondContact O-N 3.23Å; E25-R27 PolarHBondContact O-N 3.25Å; E25-R27 VanDerWaalsContact O-N 3.14Å; R27-D193 IonicContact CZ-OD2 3.66Å; R27-D193 IonicContact NH2-OD2 3.73Å; R27-D193 PolarHBondContact NH2-OD2 3.26Å; R27-T607 VanDerWaalsContact NH1-CG2 3.26Å
28G85.1Confident93.3Very high0 Ų017.1 Ų17.10%08%0.075CC..  trans164.9144.4-179.900000112.2E25 T73E25-G28 CarbonylContact O-C 3.43Å; E25-G28 PolarHBondContact O-N 3.49Å; E25-G28 VanDerWaalsContact O-O 3.09Å; G28-T73 PolarHBondContact O-OG1 3.43Å
29Y88.5Confident93.1Very high19 Ų1921.1 Ų21.18%0.07511%0.109CC..  trans-143.916.6-173.246.1-104.1000113.3G50 R74 V400 Q598 P599 L602 A603Y29-G50 CarbonylContact O-C 3.56Å; Y29-R74 PolarHBondContact N-O 3.2Å; Y29-V400 HydrophobicContact CE1-CG2 4.32Å; Y29-Q598 HydrophobicContact CD1-CB 4.48Å; Y29-Q598 HydrophobicContact CD1-CG 4.2Å; Y29-Q598 HydrophobicContact CE1-CB 3.98Å; Y29-Q598 HydrophobicContact CE1-CG 3.94Å; Y29-Q598 HydrophobicContact CE2-CB 4.17Å; Y29-Q598 VanDerWaalsContact OH-C 3.3Å; Y29-P599 PolarHBondContact OH-O 3.05Å; Y29-L602 PolarHBondContact OH-O 3.07Å; Y29-A603 HydrophobicContact CE1-CB 4.28Å
30D91.1Very high93Very high29 Ų2925.2 Ų25.216%0.15513%0.128CC..SBendtrans-75.3-37.5179.2-68.9-30.7000111.6L49 G50 R74 W75 A76 P81D30-L49 VanDerWaalsContact O-CD1 3.23Å; D30-L49 WeakPolarHBondContact O-CD1 3.39Å; D30-G50 WeakPolarHBondContact O-CA 3.41Å; D30-G50 PolarHBondContact O-N 2.96Å; D30-R74 WeakPolarHBondContact CB-O 3.49Å; D30-R74 PolarHBondContact N-O 2.8Å; D30-W75 WeakPolarHBondContact OD2-CA 3.38Å; D30-A76 PolarHBondContact OD2-N 3.42Å; D30-P81 HydrophobicContact CB-CB 4.04Å; D30-P81 HydrophobicContact CB-CG 4Å
31S95.7Very high93Very high1 Ų126.1 Ų26.11%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-160.5159.3176.454.70000110.7R48 G50 R74S31-R48 WeakPolarHBondContact CA-O 3.32Å; S31-R48 VanDerWaalsContact CB-O 3.32Å; S31-R48 WeakPolarHBondContact CB-O 3.24Å; S31-G50 VanDerWaalsContact CA-O 3.29Å; S31-G50 WeakPolarHBondContact CA-O 3.33Å; S31-R74 PolarHBondContact O-N 2.86Å; S31-R74 WeakPolarHBondContact OG-CB 3.49Å
32A97.7Very high93.1Very high1 Ų132 Ų321%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-142.2156.6175.300000111.6L21 R47 R48 V52 L55 H72L21-A32 HydrophobicContact CD1-CB 4.39Å; A32-R47 WeakPolarHBondContact O-CA 3.48Å; A32-R48 PolarHBondContact N-O 3.05Å; A32-R48 PolarHBondContact O-N 2.94Å; A32-V52 HydrophobicContact CB-CG2 4.24Å; A32-L55 HydrophobicContact CB-CB 4.22Å; A32-L55 HydrophobicContact CB-CD2 3.82Å; A32-H72 CarbonylContact C-O 3.53Å; A32-H72 VanDerWaalsContact CA-O 3.22Å; A32-H72 WeakPolarHBondContact CA-O 3.49Å
33G98.3Very high93.3Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-162.2164.3173.400000113.6L46 A71 H72 H87G33-L46 CarbonylContact C-O 3.55Å; G33-L46 WeakPolarHBondContact CA-O 3.46Å; G33-A71 CarbonylContact O-C 3.38Å; G33-A71 VanDerWaalsContact O-CA 3.3Å; G33-A71 WeakPolarHBondContact O-CA 3.47Å; G33-H72 PolarHBondContact N-O 2.77Å; G33-H72 PolarHBondContact O-N 3.09Å; G33-H87 VanDerWaalsContact CA-O 3.29Å; G33-H87 WeakPolarHBondContact CA-O 3.33Å
34L98.7Very high93.7Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-142.8157172.573.4157.7000111.5A14 L17 L18 V36 R45 L46 L55 L64 I70 A71A14-L34 HydrophobicContact CB-CD1 4.27Å; L17-L34 HydrophobicContact CB-CD1 4.45Å; L17-L34 HydrophobicContact CD1-CD1 4.26Å; L18-L34 HydrophobicContact CD2-CD2 4.3Å; L34-V36 HydrophobicContact CD1-CG1 4.22Å; L34-R45 WeakPolarHBondContact O-CA 3.39Å; L34-L46 HydrophobicContact CD2-CB 4.3Å; L34-L46 PolarHBondContact N-O 2.93Å; L34-L46 PolarHBondContact O-N 3.25Å; L34-L46 VanDerWaalsContact O-O 3.12Å; L34-L55 HydrophobicContact CD2-CD1 3.87Å; L34-L55 HydrophobicContact CD2-CD2 3.67Å; L34-L55 HydrophobicContact CD2-CG 3.81Å; L34-L64 HydrophobicContact CD1-CD2 4.12Å; L34-L64 HydrophobicContact CD2-CD2 4.43Å; L34-L64 HydrophobicContact CG-CD2 4.03Å; L34-I70 CarbonylContact C-O 3.57Å; L34-I70 VanDerWaalsContact CA-O 3.32Å; L34-I70 WeakPolarHBondContact CA-O 3.45Å; L34-A71 HydrophobicContact CB-CB 3.65Å
35A98.8Very high94.1Very high0 Ų036.3 Ų36.30%019%0.191CC..EExtended strand (participates in β ladder)trans-133.3135.7167.400000109.4M43 T44 R45 G69 I70 P88 V95 M162A35-M43 HydrophobicContact CB-SD 4.34Å; A35-T44 CarbonylContact C-O 3.47Å; A35-T44 VanDerWaalsContact CA-O 3.28Å; A35-T44 WeakPolarHBondContact CA-O 3.26Å; A35-R45 HydrophobicContact CB-CB 4.17Å; A35-R45 HydrophobicContact CB-CG 4.21Å; A35-G69 CarbonylContact O-C 3.45Å; A35-G69 WeakPolarHBondContact O-CA 3.16Å; A35-I70 PolarHBondContact N-O 3.26Å; A35-I70 PolarHBondContact O-N 3.44Å; A35-P88 HydrophobicContact CB-CB 4.47Å; A35-P88 HydrophobicContact CB-CG 3.95Å; A35-V95 HydrophobicContact CB-CG1 3.89Å; A35-M162 HydrophobicContact CB-CE 3.87Å
36V98.7Very high94.6Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-126.3155.7174.9-56.10000110.7V13 L17 L34 M43 T44 L64 H65 T68V13-V36 HydrophobicContact CG2-CG1 4.28Å; L17-V36 HydrophobicContact CD1-CG1 4.04Å; L34-V36 HydrophobicContact CD1-CG1 4.22Å; V36-M43 WeakPolarHBondContact O-CA 3.37Å; V36-T44 PolarHBondContact N-O 2.84Å; V36-T44 PolarHBondContact O-N 2.79Å; V36-L64 HydrophobicContact CG2-CB 3.65Å; V36-L64 HydrophobicContact CG2-CD2 4.16Å; V36-H65 WeakPolarHBondContact CG2-O 3.5Å; V36-T68 CarbonylContact C-O 3.59Å; V36-T68 VanDerWaalsContact CA-O 3.23Å; V36-T68 WeakPolarHBondContact CA-O 3.21Å
37V98.6Very high95.5Very high1 Ų134.6 Ų34.61%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-132.1132.1180-166.90000109.2H42 M43 G66 G67 T68 M162 S164 P167V37-H42 WeakPolarHBondContact CA-O 3.4Å; V37-M43 HydrophobicContact CG2-CB 4.16Å; V37-M43 HydrophobicContact CG2-CG 4.05Å; V37-G66 CarbonylContact O-C 3.55Å; V37-G66 WeakPolarHBondContact O-CA 3.23Å; V37-G67 PolarHBondContact O-N 3.38Å; V37-T68 PolarHBondContact N-O 3.28Å; V37-T68 PolarHBondContact O-N 3.27Å; V37-M162 HydrophobicContact CG2-CE 3.3Å; V37-M162 HydrophobicContact CG2-SD 3.69Å; V37-S164 WeakPolarHBondContact CG1-O 3.45Å; V37-P167 HydrophobicContact CB-CB 4.16Å; V37-P167 HydrophobicContact CG1-CB 3.89Å; V37-P167 HydrophobicContact CG1-CG 4.44Å
38D97.7Very high96.2Very high37 Ų3737.8 Ų37.820%0.19820%0.196CC..  trans-81.2-178.9172.570.112.6000112.5E40 G41 H42D38-E40 PolarHBondContact O-N 3.38Å; D38-E40 WeakPolarHBondContact OD1-CA 3.31Å; D38-E40 WeakPolarHBondContact OD1-CB 3.46Å; D38-E40 PolarHBondContact OD1-N 2.82Å; D38-G41 PolarHBondContact O-N 2.79Å; D38-G41 PolarHBondContact OD1-N 3.12Å; D38-H42 PolarHBondContact N-O 3.18Å; D38-H42 IonicContact OD1-CG 3.54Å; D38-H42 PolarHBondContact OD1-N 3.4Å; D38-H42 IonicContact OD1-ND1 2.76Å; D38-H42 WeakPolarHBondContact OD2-CB 3.42Å; D38-H42 IonicContact OD2-CG 3.51Å; D38-H42 IonicContact OD2-ND1 3.51Å; D38-H42 PolarHBondContact OD2-ND1 3.31Å
39A94.6Very high96.7Very high89 Ų8941.8 Ų41.874%0.73622%0.217SC*.THydrogen-bonded Turntrans-69.2-24-178.500000112.6G41A39-G41 VanDerWaalsContact C-N 3.32Å
40E94.7Very high97Very high141 Ų14141.7 Ų41.766%0.65922%0.222SC*.THydrogen-bonded Turntrans-83.1-9.2178.4-66.570.2-153.800112.8D38D38-E40 PolarHBondContact O-N 3.38Å; D38-E40 WeakPolarHBondContact OD1-CA 3.31Å; D38-E40 WeakPolarHBondContact OD1-CB 3.46Å; D38-E40 PolarHBondContact OD1-N 2.82Å
41G94.9Very high97.1Very high19 Ų1944 Ų4420%0.19623%0.231CC..  trans87.412.6-178.800000113.9D38 A39 M43 S164D38-G41 PolarHBondContact O-N 2.79Å; D38-G41 PolarHBondContact OD1-N 3.12Å; A39-G41 VanDerWaalsContact C-N 3.32Å; G41-M43 PolarHBondContact O-N 2.89Å; G41-S164 VanDerWaalsContact CA-O 3.28Å; G41-S164 WeakPolarHBondContact CA-O 3.49Å
42H97.6Very high97Very high122 Ų12244 Ų4457%0.56523%0.23SC*.  trans-73.8120.8172.1-51119.9000109.5V37 D38V37-H42 WeakPolarHBondContact CA-O 3.4Å; D38-H42 PolarHBondContact N-O 3.18Å; D38-H42 IonicContact OD1-CG 3.54Å; D38-H42 PolarHBondContact OD1-N 3.4Å; D38-H42 IonicContact OD1-ND1 2.76Å; D38-H42 WeakPolarHBondContact OD2-CB 3.42Å; D38-H42 IonicContact OD2-CG 3.51Å; D38-H42 IonicContact OD2-ND1 3.51Å; D38-H42 PolarHBondContact OD2-ND1 3.31Å
43M98.2Very high96.9Very high62 Ų6248.7 Ų48.731%0.30525%0.253SS..EExtended strand (participates in β ladder)trans-100128.5-179.8-175.9-85.4-68.700110.5A35 V36 V37 G41 R45 V90 V95 M162A35-M43 HydrophobicContact CB-SD 4.34Å; V36-M43 WeakPolarHBondContact O-CA 3.37Å; V37-M43 HydrophobicContact CG2-CB 4.16Å; V37-M43 HydrophobicContact CG2-CG 4.05Å; G41-M43 PolarHBondContact O-N 2.89Å; M43-R45 HydrophobicContact SD-CB 3.6Å; M43-V90 HydrophobicContact CE-CG1 4.47Å; M43-V95 HydrophobicContact CG-CG2 4.49Å; M43-M162 HydrophobicContact CG-CE 4.01Å
44T98.4Very high96.8Very high66 Ų6653.2 Ų53.241%0.40528%0.275SS..EExtended strand (participates in β ladder)trans-112.6122.2170.1-570000108.8A35 V36 L64A35-T44 CarbonylContact C-O 3.47Å; A35-T44 VanDerWaalsContact CA-O 3.28Å; A35-T44 WeakPolarHBondContact CA-O 3.26Å; V36-T44 PolarHBondContact N-O 2.84Å; V36-T44 PolarHBondContact O-N 2.79Å; T44-L64 HydrophobicContact CG2-CD2 3.86Å; T44-L64 HydrophobicContact CG2-CG 4.05Å
45R98.4Very high96.7Very high86 Ų8653.2 Ų53.233%0.32528%0.275SS..EExtended strand (participates in β ladder)trans-116.4130.6176.9-176.6176.571.4156.6-2.2110.3L34 A35 M43 R47 P88L34-R45 WeakPolarHBondContact O-CA 3.39Å; A35-R45 HydrophobicContact CB-CB 4.17Å; A35-R45 HydrophobicContact CB-CG 4.21Å; M43-R45 HydrophobicContact SD-CB 3.6Å; R45-R47 HydrophobicContact CG-CG 4.26Å; R45-P88 WeakPolarHBondContact CD-O 3.41Å; R45-P88 PolarHBondContact NH1-O 2.87Å
46L98.5Very high96.6Very high21 Ų2153.8 Ų53.811%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-130.3131177.7-173.966.3000109.9G33 L34 L55 A58 A59 L64G33-L46 CarbonylContact C-O 3.55Å; G33-L46 WeakPolarHBondContact CA-O 3.46Å; L34-L46 HydrophobicContact CD2-CB 4.3Å; L34-L46 PolarHBondContact N-O 2.93Å; L34-L46 PolarHBondContact O-N 3.25Å; L34-L46 VanDerWaalsContact O-O 3.12Å; L46-L55 HydrophobicContact CB-CD1 4.39Å; L46-L55 HydrophobicContact CD2-CD1 4.07Å; L46-L55 HydrophobicContact CG-CD1 3.87Å; L46-A58 HydrophobicContact CD1-CB 4.35Å; L46-A58 HydrophobicContact CD2-CB 3.93Å; L46-A58 HydrophobicContact CG-CB 4.48Å; L46-A59 HydrophobicContact CD2-CB 3.94Å; L46-L64 HydrophobicContact CB-CD2 4.09Å; L46-L64 HydrophobicContact CD2-CD1 4.05Å
47R98.4Very high96.6Very high32 Ų3258.6 Ų58.612%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-138.7147-179.4-57.6-175-63.8166.87109.6A32 R45 E83 A84 A86A32-R47 WeakPolarHBondContact O-CA 3.48Å; R45-R47 HydrophobicContact CG-CG 4.26Å; R47-E83 HydrophobicContact CB-CG 3.95Å; R47-E83 PolarHBondContact NE-O 3.2Å; R47-E83 PolarHBondContact NH1-O 2.83Å; R47-E83 PolarHBondContact NH2-O 3.1Å; R47-E83 VanDerWaalsContact NH2-O 3.13Å; R47-A84 PolarHBondContact NH1-O 3.25Å; R47-A86 HydrophobicContact CB-CB 4.1Å; R47-A86 WeakPolarHBondContact CD-O 3.49Å; R47-A86 PolarHBondContact NH1-O 2.82Å
48R97.8Very high96.5Very high68 Ų6858.8 Ų58.826%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-143.5142.7176.6-69.1-64.3178.5-102.63.5110.8S31 A32 M54 L55 A58 E83S31-R48 WeakPolarHBondContact CA-O 3.32Å; S31-R48 VanDerWaalsContact CB-O 3.32Å; S31-R48 WeakPolarHBondContact CB-O 3.24Å; A32-R48 PolarHBondContact N-O 3.05Å; A32-R48 PolarHBondContact O-N 2.94Å; R48-M54 HydrophobicContact CB-CB 4.44Å; R48-L55 HydrophobicContact CG-CD1 4.25Å; R48-A58 HydrophobicContact CG-CB 4.08Å; R48-E83 IonicContact NH1-OE1 2.63Å; R48-E83 IonicContact NH1-OE2 3.47Å
49L96.5Very high96.5Very high84 Ų8457.5 Ų57.544%0.4430%0.298SS..EExtended strand (participates in β ladder)trans-70.9140.3162.2177.970000109.1D30 P81D30-L49 VanDerWaalsContact O-CD1 3.23Å; D30-L49 WeakPolarHBondContact O-CD1 3.39Å; L49-P81 HydrophobicContact CD1-CB 3.67Å; L49-P81 WeakPolarHBondContact CD1-O 3.38Å
50G93.7Very high96.5Very high17 Ų1760.9 Ų60.918%0.17530%0.298CS..SBendtrans103.2-167.9178.500000114.8Y29 D30 S31Y29-G50 CarbonylContact O-C 3.56Å; D30-G50 WeakPolarHBondContact O-CA 3.41Å; D30-G50 PolarHBondContact O-N 2.96Å; S31-G50 VanDerWaalsContact CA-O 3.29Å; S31-G50 WeakPolarHBondContact CA-O 3.33Å
51K92.5Very high96.6Very high77 Ų7760.9 Ų60.934%0.33530%0.298SS..  trans-64.2159.7-175.1-55.1-170.8-177.8-175.30111.6Q53 M54 D595K51-Q53 PolarHBondContact O-N 2.99Å; K51-M54 WeakPolarHBondContact O-CB 3.49Å; K51-M54 PolarHBondContact O-N 3.23Å; K51-D595 IonicContact NZ-OD2 3.56Å; K51-D595 PolarHBondContact NZ-OD2 3.46Å
52V95Very high96.5Very high0 Ų066 Ų660%032%0.317CS..Hα-helixtrans-56.8-30.6-178.5177.40000111.5L21 R22 E25 A32 M54 L55 A56L21-V52 HydrophobicContact CB-CG1 3.7Å; L21-V52 HydrophobicContact CB-CG2 4.04Å; R22-V52 HydrophobicContact CG-CG1 3.93Å; E25-V52 HydrophobicContact CB-CG2 4.21Å; E25-V52 HydrophobicContact CG-CG2 4.06Å; E25-V52 VanDerWaalsContact OE1-CB 3.26Å; E25-V52 WeakPolarHBondContact OE1-CB 3.19Å; E25-V52 WeakPolarHBondContact OE1-CG2 3.14Å; E25-V52 PolarHBondContact OE1-N 3.31Å; A32-V52 HydrophobicContact CB-CG2 4.24Å; V52-M54 VanDerWaalsContact C-N 3.26Å; V52-M54 PolarHBondContact O-N 2.84Å; V52-L55 WeakPolarHBondContact O-CB 3.27Å; V52-L55 PolarHBondContact O-N 2.9Å; V52-L55 VanDerWaalsContact O-N 3.09Å; V52-A56 PolarHBondContact O-N 3.34Å
53Q94.9Very high96.4Very high101 Ų10164.3 Ų64.347%0.47232%0.317SS..Hα-helixtrans-58.1-34.3175.7-172.358.730.900113.5K51 L55 A56 Q57K51-Q53 PolarHBondContact O-N 2.99Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-A56 PolarHBondContact O-N 3.14Å; Q53-Q57 WeakPolarHBondContact O-CG 3.45Å; Q53-Q57 PolarHBondContact O-N 3.39Å
54M96.1Very high96.3Very high95 Ų9561.8 Ų61.847%0.46830%0.304SS..Hα-helixtrans-67.9-36.9176.9-65.6-17167.700111.6R48 K51 V52 A58R48-M54 HydrophobicContact CB-CB 4.44Å; K51-M54 WeakPolarHBondContact O-CB 3.49Å; K51-M54 PolarHBondContact O-N 3.23Å; V52-M54 VanDerWaalsContact C-N 3.26Å; V52-M54 PolarHBondContact O-N 2.84Å; M54-A58 PolarHBondContact O-N 3.14Å
55L97.7Very high96.3Very high0 Ų064.2 Ų64.20%031%0.311CS..Hα-helixtrans-67-42.3173.4-17667.5000111.3L18 L21 A32 L34 L46 R48 V52 Q53 Q57 A58 A59L18-L55 HydrophobicContact CD2-CD2 3.89Å; L18-L55 HydrophobicContact CD2-CG 3.98Å; L21-L55 HydrophobicContact CD1-CD2 3.92Å; A32-L55 HydrophobicContact CB-CB 4.22Å; A32-L55 HydrophobicContact CB-CD2 3.82Å; L34-L55 HydrophobicContact CD2-CD1 3.87Å; L34-L55 HydrophobicContact CD2-CD2 3.67Å; L34-L55 HydrophobicContact CD2-CG 3.81Å; L46-L55 HydrophobicContact CB-CD1 4.39Å; L46-L55 HydrophobicContact CD2-CD1 4.07Å; L46-L55 HydrophobicContact CG-CD1 3.87Å; R48-L55 HydrophobicContact CG-CD1 4.25Å; V52-L55 WeakPolarHBondContact O-CB 3.27Å; V52-L55 PolarHBondContact O-N 2.9Å; V52-L55 VanDerWaalsContact O-N 3.09Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.04Å; L55-A58 PolarHBondContact O-N 3.39Å; L55-A59 WeakPolarHBondContact O-CB 3.29Å; L55-A59 PolarHBondContact O-N 2.83Å
56A96.9Very high96.2Very high11 Ų1160.3 Ų60.39%0.09130%0.297CS..Hα-helixtrans-61.2-43.8178.200000112L18 V52 Q53 A58 A59 E60L18-A56 HydrophobicContact CD2-CB 4.38Å; V52-A56 PolarHBondContact O-N 3.34Å; Q53-A56 PolarHBondContact O-N 3.14Å; A56-A58 PolarHBondContact O-N 3.02Å; A56-A59 PolarHBondContact O-N 3.49Å; A56-E60 PolarHBondContact O-N 3.21Å
57Q97.2Very high96.2Very high101 Ų10160 Ų6047%0.47230%0.299SS..Hα-helixtrans-60.6-45.2175.1-74.1171.6-20.100111.9Q53 L55 A59 E60 E61Q53-Q57 WeakPolarHBondContact O-CG 3.45Å; Q53-Q57 PolarHBondContact O-N 3.39Å; L55-Q57 PolarHBondContact O-N 3.04Å; Q57-A59 VanDerWaalsContact C-N 3.28Å; Q57-A59 PolarHBondContact O-N 3.16Å; Q57-E60 WeakPolarHBondContact O-CB 3.3Å; Q57-E60 PolarHBondContact O-N 3.12Å; Q57-E61 PolarHBondContact O-N 2.88Å
58A96.9Very high96.2Very high5 Ų558.8 Ų58.84%0.04130%0.296CS..Hα-helixtrans-65.3-31.5177.800000113.1L46 R48 M54 L55 A56 H62L46-A58 HydrophobicContact CD1-CB 4.35Å; L46-A58 HydrophobicContact CD2-CB 3.93Å; L46-A58 HydrophobicContact CG-CB 4.48Å; R48-A58 HydrophobicContact CG-CB 4.08Å; M54-A58 PolarHBondContact O-N 3.14Å; L55-A58 PolarHBondContact O-N 3.39Å; A56-A58 PolarHBondContact O-N 3.02Å; A58-H62 PolarHBondContact O-N 3.3Å
59A97Very high96.3Very high10 Ų1055.6 Ų55.68%0.08328%0.283CS..Hα-helixtrans-73.9-27.3175.900000112.7L18 L46 L55 A56 Q57 H62 P63 L64L18-A59 HydrophobicContact CD1-CB 3.89Å; L46-A59 HydrophobicContact CD2-CB 3.94Å; L55-A59 WeakPolarHBondContact O-CB 3.29Å; L55-A59 PolarHBondContact O-N 2.83Å; A56-A59 PolarHBondContact O-N 3.49Å; Q57-A59 VanDerWaalsContact C-N 3.28Å; Q57-A59 PolarHBondContact O-N 3.16Å; A59-H62 CarbonylContact O-C 3.6Å; A59-P63 WeakPolarHBondContact O-CA 3.34Å; A59-L64 HydrophobicContact CB-CD1 3.64Å
60E96.1Very high96.4Very high160 Ų16051.6 Ų51.675%0.74826%0.263SS*.Hα-helixtrans-70.6-38.4173.6-169.9176.2-169.600111.5A56 Q57A56-E60 PolarHBondContact O-N 3.21Å; Q57-E60 WeakPolarHBondContact O-CB 3.3Å; Q57-E60 PolarHBondContact O-N 3.12Å
61E95.6Very high96.6Very high141 Ų14150.8 Ų50.866%0.65925%0.254SS*.Hα-helixtrans-67.4-36175.4-67.2176.5178.600112.6Q57Q57-E61 PolarHBondContact O-N 2.88Å
62H93.9Very high96.9Very high127 Ų12747.1 Ų47.159%0.58824%0.238SC*.SBendtrans-132.383.9-179.8-65.1-55.6000110.7A58 A59 L64A58-H62 PolarHBondContact O-N 3.3Å; A59-H62 CarbonylContact O-C 3.6Å; H62-L64 WeakPolarHBondContact O-CD1 3.31Å; H62-L64 PolarHBondContact O-N 2.96Å
63P94.1Very high96.9Very high86 Ų8647.1 Ų47.156%0.55824%0.238SC*.PPolyproline II helixtrans-54.5136.1-179.1-28.536000112.7A59A59-P63 WeakPolarHBondContact O-CA 3.34Å
64L97.3Very high96.8Very high9 Ų942.5 Ų42.55%0.04722%0.216CC..PPolyproline II helixtrans-101.7117.1179.9-60.692.3000109.9A14 L34 V36 T44 L46 A59 H62A14-L64 HydrophobicContact CB-CB 4.15Å; L34-L64 HydrophobicContact CD1-CD2 4.12Å; L34-L64 HydrophobicContact CD2-CD2 4.43Å; L34-L64 HydrophobicContact CG-CD2 4.03Å; V36-L64 HydrophobicContact CG2-CB 3.65Å; V36-L64 HydrophobicContact CG2-CD2 4.16Å; T44-L64 HydrophobicContact CG2-CD2 3.86Å; T44-L64 HydrophobicContact CG2-CG 4.05Å; L46-L64 HydrophobicContact CB-CD2 4.09Å; L46-L64 HydrophobicContact CD2-CD1 4.05Å; A59-L64 HydrophobicContact CB-CD1 3.64Å; H62-L64 WeakPolarHBondContact O-CD1 3.31Å; H62-L64 PolarHBondContact O-N 2.96Å
65H97.4Very high96.3Very high117 Ų11740.5 Ų40.554%0.54220%0.204SC..PPolyproline II helixtrans-98.8136.7176.7-61.9-61.9000110.9D12 V36D12-H65 WeakPolarHBondContact OD1-CA 3.24Å; D12-H65 IonicContact OD2-CE1 2.69Å; D12-H65 IonicContact OD2-CG 3.47Å; D12-H65 IonicContact OD2-ND1 3.35Å; D12-H65 PolarHBondContact OD2-ND1 3.34Å; V36-H65 WeakPolarHBondContact CG2-O 3.5Å
66G97.4Very high95.7Very high4 Ų441.6 Ų41.64%0.04121%0.213CC..  trans154.8140.2-179.800000113.9D12 V13 V37D12-G66 WeakPolarHBondContact CA-O 2.85Å; D12-G66 PolarHBondContact OD1-N 3.44Å; V13-G66 PolarHBondContact N-O 2.94Å; V13-G66 VanDerWaalsContact N-O 3.11Å; V37-G66 CarbonylContact O-C 3.55Å; V37-G66 WeakPolarHBondContact O-CA 3.23Å
67G97.9Very high94.9Very high14 Ų1443.6 Ų43.614%0.14422%0.224CC..SBendtrans-86.7-14.4-17900000114.5I8 A9 R11 V13 V37I8-G67 WeakPolarHBondContact CA-O 3.46Å; A9-G67 PolarHBondContact N-O 3.24Å; R11-G67 WeakPolarHBondContact O-CA 3.24Å; V13-G67 VanDerWaalsContact CG1-O 3.29Å; V13-G67 WeakPolarHBondContact CG1-O 3.48Å; V37-G67 PolarHBondContact O-N 3.38Å
68T98.7Very high94.1Very high8 Ų841.2 Ų41.25%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-122.3133.6178.7-61.40000109.4A7 V36 V37 P167 L170A7-T68 WeakPolarHBondContact O-CA 3.46Å; V36-T68 CarbonylContact C-O 3.59Å; V36-T68 VanDerWaalsContact CA-O 3.23Å; V36-T68 WeakPolarHBondContact CA-O 3.21Å; V37-T68 PolarHBondContact N-O 3.28Å; V37-T68 PolarHBondContact O-N 3.27Å; T68-P167 WeakPolarHBondContact CB-O 3.42Å; T68-P167 WeakPolarHBondContact CG2-O 3.29Å; T68-P167 PolarHBondContact OG1-O 3.1Å; T68-L170 HydrophobicContact CG2-CD2 3.9Å; T68-L170 HydrophobicContact CG2-CG 4.15Å
69G98.7Very high93.6Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-167.2163.3176.500000114.6G6 A7 A35G6-G69 WeakPolarHBondContact CA-O 3.5Å; A7-G69 PolarHBondContact N-O 3Å; A7-G69 PolarHBondContact O-N 3.22Å; A35-G69 CarbonylContact O-C 3.45Å; A35-G69 WeakPolarHBondContact O-CA 3.16Å
70I98.9Very high93.3Very high0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-133.6145.517757.7179.5000109.6V5 L34 A35 P88 V95 V97 V160 M162 L170V5-I70 CarbonylContact O-C 3.49Å; V5-I70 WeakPolarHBondContact O-CA 3.45Å; L34-I70 CarbonylContact C-O 3.57Å; L34-I70 VanDerWaalsContact CA-O 3.32Å; L34-I70 WeakPolarHBondContact CA-O 3.45Å; A35-I70 PolarHBondContact N-O 3.26Å; A35-I70 PolarHBondContact O-N 3.44Å; I70-P88 HydrophobicContact CD1-CB 4.49Å; I70-P88 HydrophobicContact CG1-CG 4.31Å; I70-V95 HydrophobicContact CD1-CB 4.2Å; I70-V95 HydrophobicContact CD1-CG1 3.98Å; I70-V95 HydrophobicContact CG1-CG1 4.46Å; I70-V97 HydrophobicContact CB-CG1 4.22Å; I70-V97 HydrophobicContact CB-CG2 3.99Å; I70-V97 HydrophobicContact CD1-CG1 4.01Å; I70-V97 HydrophobicContact CD1-CG2 4.15Å; I70-V97 HydrophobicContact CG1-CG1 4.05Å; I70-V97 HydrophobicContact CG1-CG2 4.45Å; I70-V160 HydrophobicContact CG2-CB 4.23Å; I70-V160 HydrophobicContact CG2-CG1 3.62Å; I70-M162 HydrophobicContact CG1-SD 4.37Å; I70-L170 HydrophobicContact CG2-CD1 4.45Å; I70-L170 HydrophobicContact CG2-CD2 3.92Å
71A98.7Very high93.1Very high0 Ų043.2 Ų43.20%023%0.231CC..EExtended strand (participates in β ladder)trans-141.8157-175.200000111.1V5 L17 L21 G33 L34V5-A71 PolarHBondContact N-O 3.07Å; V5-A71 PolarHBondContact O-N 3.17Å; L17-A71 HydrophobicContact CB-CB 3.81Å; L17-A71 HydrophobicContact CD1-CB 4.37Å; L17-A71 HydrophobicContact CD2-CB 4.16Å; L17-A71 HydrophobicContact CG-CB 4.33Å; L21-A71 HydrophobicContact CD1-CB 3.91Å; L21-A71 HydrophobicContact CD2-CB 4.21Å; L21-A71 HydrophobicContact CG-CB 4.01Å; G33-A71 CarbonylContact O-C 3.38Å; G33-A71 VanDerWaalsContact O-CA 3.3Å; G33-A71 WeakPolarHBondContact O-CA 3.47Å; L34-A71 HydrophobicContact CB-CB 3.65Å
72H98.4Very high93.1Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-149.9141.8-173.1-174.1-89000113C2 G3 L21 A32 G33 H87 V97 H98C2-H72 WeakPolarHBondContact CB-NE2 3.33Å; C2-H72 PolarHBondContact SG-CE1 2.95Å; C2-H72 PolarHBondContact SG-NE2 3.02Å; C2-H72 VanDerWaalsContact SG-NE2 3.43Å; G3-H72 CarbonylContact O-C 3.47Å; G3-H72 VanDerWaalsContact O-CA 3.23Å; G3-H72 WeakPolarHBondContact O-CA 3.49Å; L21-H72 VanDerWaalsContact CD2-C 3.46Å; A32-H72 CarbonylContact C-O 3.53Å; A32-H72 VanDerWaalsContact CA-O 3.22Å; A32-H72 WeakPolarHBondContact CA-O 3.49Å; G33-H72 PolarHBondContact N-O 2.77Å; G33-H72 PolarHBondContact O-N 3.09Å; H72-H87 HydrophobicContact CB-CB 3.67Å; H72-H87 AromaticContact CD2-ND1 3.42Å; H72-H87 PolarHBondContact CD2-ND1 3.34Å; H72-H87 AromaticContact CE1-CE1 3.93Å; H72-H87 AromaticContact CE1-CG 3.74Å; H72-H87 AromaticContact CE1-ND1 3.32Å; H72-H87 PolarHBondContact CE1-ND1 3.3Å; H72-H87 VanDerWaalsContact CE1-ND1 3.32Å; H72-H87 AromaticContact CG-CG 3.95Å; H72-H87 AromaticContact CG-ND1 3.76Å; H72-H87 AromaticContact ND1-CG 3.77Å; H72-H87 AromaticContact ND1-ND1 3.72Å; H72-H87 AromaticContact NE2-CE1 3.73Å; H72-H87 AromaticContact NE2-CG 3.91Å; H72-H87 AromaticContact NE2-ND1 3.08Å; H72-H87 PolarHBondContact NE2-ND1 3.4Å; H72-V97 HydrophobicContact CB-CB 4.12Å; H72-V97 HydrophobicContact CB-CG1 3.77Å; H72-H98 PolarHBondContact NE2-O 2.89Å
73T95.5Very high93.3Very high0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-118.5137161.7-167.10000109.7C2 G3 L21 L24 G28C2-T73 CarbonylContact C-O 3.46Å; C2-T73 WeakPolarHBondContact CA-O 3.33Å; C2-T73 VanDerWaalsContact CB-O 3.25Å; C2-T73 WeakPolarHBondContact CB-O 3.48Å; G3-T73 PolarHBondContact N-O 2.92Å; G3-T73 PolarHBondContact O-N 2.76Å; L21-T73 HydrophobicContact CD2-CG2 4.46Å; L24-T73 HydrophobicContact CB-CG2 4.29Å; G28-T73 PolarHBondContact O-OG1 3.43Å
74R92.3Very high93.4Very high4 Ų433.8 Ų33.82%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-117139.2-165.2-168174-172.6-106.3-3.4112Y29 D30 S31 A76 H78 G79 N85Y29-R74 PolarHBondContact N-O 3.2Å; D30-R74 WeakPolarHBondContact CB-O 3.49Å; D30-R74 PolarHBondContact N-O 2.8Å; S31-R74 PolarHBondContact O-N 2.86Å; S31-R74 WeakPolarHBondContact OG-CB 3.49Å; R74-A76 VanDerWaalsContact NH1-CB 3.27Å; R74-H78 PolarHBondContact NH2-O 2.87Å; R74-G79 PolarHBondContact NH1-O 3.28Å; R74-N85 WeakPolarHBondContact CD-O 3.33Å; R74-N85 PolarHBondContact NE-O 3.09Å
75W86.4Confident93.4Very high54 Ų5433.4 Ų33.421%0.20519%0.189CC..  trans-110.6122152.3-179.476.9000107.8M1 D30 T77 N601 A603 V608M1-W75 HydrophobicContact CB-CB 3.85Å; M1-W75 HydrophobicContact CB-CD2 4.24Å; M1-W75 HydrophobicContact CB-CE3 4.07Å; M1-W75 HydrophobicContact CB-CG 4.23Å; M1-W75 HydrophobicContact CG-CD2 4.31Å; M1-W75 HydrophobicContact CG-CE3 3.98Å; M1-W75 HydrophobicContact CG-CZ3 4.34Å; M1-W75 WeakPolarHBondContact O-CA 3.4Å; M1-W75 WeakPolarHBondContact O-CB 3.43Å; M1-W75 PolarHBondContact O-N 2.87Å; M1-W75 HydrophobicContact SD-CD2 3.59Å; M1-W75 VanDerWaalsContact SD-CD2 3.59Å; M1-W75 HydrophobicContact SD-CE3 3.66Å; M1-W75 HydrophobicContact SD-CG 4.12Å; M1-W75 HydrophobicContact SD-CH2 4.06Å; M1-W75 HydrophobicContact SD-CZ2 4.06Å; M1-W75 HydrophobicContact SD-CZ3 3.87Å; D30-W75 WeakPolarHBondContact OD2-CA 3.38Å; W75-T77 HydrophobicContact CE3-CG2 3.67Å; W75-T77 HydrophobicContact CZ3-CG2 3.49Å; W75-T77 VanDerWaalsContact CZ3-CG2 3.49Å; W75-T77 PolarHBondContact O-N 2.76Å; W75-N601 PolarHBondContact NE1-O 2.91Å; W75-N601 VanDerWaalsContact NE1-O 3.13Å; W75-A603 HydrophobicContact CG-CB 4.44Å; W75-V608 HydrophobicContact CE3-CG2 4.18Å; W75-V608 HydrophobicContact CZ3-CG2 3.74Å
76A84.8Confident93.4Very high23 Ų2327.9 Ų27.919%0.1916%0.163CC..  trans-74.8123.8-169.100000112.4D30 R74 P81D30-A76 PolarHBondContact OD2-N 3.42Å; R74-A76 VanDerWaalsContact NH1-CB 3.27Å; A76-P81 HydrophobicContact CB-CG 3.81Å
77T78.9Confident93.5Very high53 Ų5327.8 Ų27.833%0.32516%0.161SC..SBendtrans-107.6-48.7170.654.30000112.1W75 I101 V608W75-T77 HydrophobicContact CE3-CG2 3.67Å; W75-T77 HydrophobicContact CZ3-CG2 3.49Å; W75-T77 VanDerWaalsContact CZ3-CG2 3.49Å; W75-T77 PolarHBondContact O-N 2.76Å; T77-I101 HydrophobicContact CG2-CD1 4.24Å; T77-I101 HydrophobicContact CG2-CG1 4.47Å; T77-V608 HydrophobicContact CG2-CG2 3.86Å
78H81.5Confident93.5Very high51 Ų5127.1 Ų27.124%0.23616%0.155CC..SBendtrans-114.2120177.5-68.275.3000110.5R74 H105 D124R74-H78 PolarHBondContact NH2-O 2.87Å; H78-H105 AromaticContact CD2-CE1 3.49Å; H78-H105 PolarHBondContact CD2-CE1 2.87Å; H78-H105 VanDerWaalsContact CD2-CE1 3.49Å; H78-H105 AromaticContact NE2-CE1 3.52Å; H78-D124 HydrophobicContact CB-CB 4.48Å
79G86.8Confident93.5Very high25 Ų2526.9 Ų26.926%0.25815%0.153SC..SBendtrans79.7140.1-174.700000112.7R74R74-G79 PolarHBondContact NH1-O 3.28Å
80E89.8Confident93.5Very high133 Ų13328.5 Ų28.562%0.62116%0.163SC*.  trans-59.5153.8-177.864.4176.8-167.800112.2S82 N85E80-S82 PolarHBondContact O-N 2.87Å; E80-N85 PolarHBondContact O-ND2 2.94Å
81P92.5Very high93.5Very high58 Ų5828.7 Ų28.738%0.37716%0.164SC..SBendtrans-52.1109.2165.8-28.737.3000111.5D30 L49 A76D30-P81 HydrophobicContact CB-CB 4.04Å; D30-P81 HydrophobicContact CB-CG 4Å; L49-P81 HydrophobicContact CD1-CB 3.67Å; L49-P81 WeakPolarHBondContact CD1-O 3.38Å; A76-P81 HydrophobicContact CB-CG 3.81Å
82S95.8Very high93.5Very high21 Ų2134.9 Ų34.915%0.14719%0.193CC..  trans-152.4158.917774.60000110.3E80 A84 N85 A86E80-S82 PolarHBondContact O-N 2.87Å; S82-A84 PolarHBondContact O-N 2.92Å; S82-A84 PolarHBondContact OG-N 2.83Å; S82-N85 PolarHBondContact O-N 3.06Å; S82-N85 WeakPolarHBondContact OG-CB 3.46Å; S82-N85 PolarHBondContact OG-N 2.72Å; S82-N85 VanDerWaalsContact OG-N 3.12Å; S82-N85 PolarHBondContact OG-ND2 3.13Å; S82-A86 PolarHBondContact O-N 3.07Å
83E96.9Very high93.5Very high89 Ų8936 Ų3642%0.41620%0.198SC..THydrogen-bonded Turntrans-63.5-29.3174.7-170173.614100111.7R47 R48 A86R47-E83 HydrophobicContact CB-CG 3.95Å; R47-E83 PolarHBondContact NE-O 3.2Å; R47-E83 PolarHBondContact NH1-O 2.83Å; R47-E83 PolarHBondContact NH2-O 3.1Å; R47-E83 VanDerWaalsContact NH2-O 3.13Å; R48-E83 IonicContact NH1-OE1 2.63Å; R48-E83 IonicContact NH1-OE2 3.47Å; E83-A86 PolarHBondContact O-N 2.79Å
84A97.2Very high93.6Very high47 Ų4736 Ų3639%0.38820%0.198SC..THydrogen-bonded Turntrans-64.7-42.9175.400000112R47 S82R47-A84 PolarHBondContact NH1-O 3.25Å; S82-A84 PolarHBondContact O-N 2.92Å; S82-A84 PolarHBondContact OG-N 2.83Å
85N97.7Very high93.9Very high1 Ų135.8 Ų35.81%0.00520%0.197CC..THydrogen-bonded Turntrans-84.7-4.6-179.9-66-29.9000113.5R74 E80 S82 S121 E122 T123R74-N85 WeakPolarHBondContact CD-O 3.33Å; R74-N85 PolarHBondContact NE-O 3.09Å; E80-N85 PolarHBondContact O-ND2 2.94Å; S82-N85 PolarHBondContact O-N 3.06Å; S82-N85 WeakPolarHBondContact OG-CB 3.46Å; S82-N85 PolarHBondContact OG-N 2.72Å; S82-N85 VanDerWaalsContact OG-N 3.12Å; S82-N85 PolarHBondContact OG-ND2 3.13Å; N85-S121 WeakPolarHBondContact OD1-CB 3.36Å; N85-E122 PolarHBondContact ND2-OE1 3.41Å; N85-E122 PolarHBondContact OD1-N 3Å; N85-T123 HydrophobicContact CB-CG2 3.72Å
86A97.6Very high94.5Very high0 Ų033.2 Ų33.20%019%0.188CC..SBendtrans-71.8143175.200000111.4R47 S82 E83R47-A86 HydrophobicContact CB-CB 4.1Å; R47-A86 WeakPolarHBondContact CD-O 3.49Å; R47-A86 PolarHBondContact NH1-O 2.82Å; S82-A86 PolarHBondContact O-N 3.07Å; E83-A86 PolarHBondContact O-N 2.79Å
87H98.4Very high95.2Very high3 Ų332.1 Ų32.11%0.01418%0.179CC..SBendtrans-81.9157172.7-62.6-175.6000109.7G33 H72 H89 V97 H98 T125G33-H87 VanDerWaalsContact CA-O 3.29Å; G33-H87 WeakPolarHBondContact CA-O 3.33Å; H72-H87 HydrophobicContact CB-CB 3.67Å; H72-H87 AromaticContact CD2-ND1 3.42Å; H72-H87 PolarHBondContact CD2-ND1 3.34Å; H72-H87 AromaticContact CE1-CE1 3.93Å; H72-H87 AromaticContact CE1-CG 3.74Å; H72-H87 AromaticContact CE1-ND1 3.32Å; H72-H87 PolarHBondContact CE1-ND1 3.3Å; H72-H87 VanDerWaalsContact CE1-ND1 3.32Å; H72-H87 AromaticContact CG-CG 3.95Å; H72-H87 AromaticContact CG-ND1 3.76Å; H72-H87 AromaticContact ND1-CG 3.77Å; H72-H87 AromaticContact ND1-ND1 3.72Å; H72-H87 AromaticContact NE2-CE1 3.73Å; H72-H87 AromaticContact NE2-CG 3.91Å; H72-H87 AromaticContact NE2-ND1 3.08Å; H72-H87 PolarHBondContact NE2-ND1 3.4Å; H87-H89 AromaticContact CD2-CD2 3.2Å; H87-H89 PolarHBondContact CD2-CD2 3.06Å; H87-H89 AromaticContact CD2-NE2 3.31Å; H87-H89 PolarHBondContact CD2-NE2 2.96Å; H87-H89 VanDerWaalsContact CD2-NE2 3.31Å; H87-H89 AromaticContact NE2-CD2 3.61Å; H87-H89 AromaticContact NE2-NE2 3.7Å; H87-V97 HydrophobicContact CB-CG1 4.33Å; H87-H98 PolarHBondContact CE1-O 2.88Å; H87-H98 PolarHBondContact ND1-N 3.26Å; H87-H98 PolarHBondContact ND1-O 3.5Å; H87-T125 PolarHBondContact CE1-OG1 3.35Å; H87-T125 WeakPolarHBondContact NE2-CB 3.31Å; H87-T125 PolarHBondContact NE2-OG1 2.69Å
88P98.7Very high96.1Very high0 Ų029.7 Ų29.70%016%0.163CC..PPolyproline II helixcis-75138.62.3-1731.7000114.7A35 R45 I70 V95 V96 V97A35-P88 HydrophobicContact CB-CB 4.47Å; A35-P88 HydrophobicContact CB-CG 3.95Å; R45-P88 WeakPolarHBondContact CD-O 3.41Å; R45-P88 PolarHBondContact NH1-O 2.87Å; I70-P88 HydrophobicContact CD1-CB 4.49Å; I70-P88 HydrophobicContact CG1-CG 4.31Å; P88-V95 HydrophobicContact CB-CG1 3.44Å; P88-V95 VanDerWaalsContact CB-CG1 3.44Å; P88-V95 HydrophobicContact CG-CG1 4.31Å; P88-V96 CarbonylContact C-O 3.46Å; P88-V96 VanDerWaalsContact CA-O 3.22Å; P88-V96 WeakPolarHBondContact CA-O 3.49Å; P88-V96 WeakPolarHBondContact CB-O 3.33Å; P88-V97 HydrophobicContact CB-CG1 3.76Å; P88-V97 HydrophobicContact CG-CG1 3.64Å
89H98.7Very high96.6Very high2 Ų227.2 Ų27.21%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-81.2154.6167.8-77.3-76000110.7H87 V95 V96 S121 T123 T125H87-H89 AromaticContact CD2-CD2 3.2Å; H87-H89 PolarHBondContact CD2-CD2 3.06Å; H87-H89 AromaticContact CD2-NE2 3.31Å; H87-H89 PolarHBondContact CD2-NE2 2.96Å; H87-H89 VanDerWaalsContact CD2-NE2 3.31Å; H87-H89 AromaticContact NE2-CD2 3.61Å; H87-H89 AromaticContact NE2-NE2 3.7Å; H89-V95 WeakPolarHBondContact O-CA 3.47Å; H89-V96 PolarHBondContact N-O 3.02Å; H89-V96 PolarHBondContact O-N 3.02Å; H89-S121 VanDerWaalsContact CE1-CB 3.47Å; H89-S121 WeakPolarHBondContact CE1-CB 3.46Å; H89-S121 PolarHBondContact CE1-OG 3.47Å; H89-T123 PolarHBondContact CE1-OG1 2.86Å; H89-T123 VanDerWaalsContact CE1-OG1 3.25Å; H89-T123 WeakPolarHBondContact NE2-CG2 3.36Å; H89-T123 PolarHBondContact NE2-OG1 3.13Å; H89-T125 HydrophobicContact CB-CG2 4.48Å
90V98.8Very high96.9Very high34 Ų3426.3 Ų26.321%0.20614%0.143CC..EExtended strand (participates in β ladder)trans-132.5145.9-175.8-63.10000111.8M43 I94 V95M43-V90 HydrophobicContact CE-CG1 4.47Å; V90-I94 CarbonylContact C-O 3.54Å; V90-I94 WeakPolarHBondContact CA-O 3.42Å; V90-V95 HydrophobicContact CG1-CB 4.36Å; V90-V95 HydrophobicContact CG1-CG1 3.93Å; V90-V95 HydrophobicContact CG1-CG2 4.08Å
91S98.7Very high97.1Very high4 Ų421.3 Ų21.33%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-13089.4162-177.10000107.8H93 I94 A129 H130 N133S91-H93 PolarHBondContact O-N 2.99Å; S91-I94 PolarHBondContact N-O 2.65Å; S91-I94 PolarHBondContact O-N 3.27Å; S91-A129 VanDerWaalsContact CB-C 3.48Å; S91-A129 VanDerWaalsContact CB-O 3.28Å; S91-A129 WeakPolarHBondContact CB-O 3.23Å; S91-H130 VanDerWaalsContact CB-ND1 3.25Å; S91-H130 WeakPolarHBondContact CB-ND1 3.44Å; S91-H130 PolarHBondContact OG-ND1 3.16Å; S91-N133 PolarHBondContact O-ND2 3.38Å; S91-N133 VanDerWaalsContact OG-CB 3.27Å; S91-N133 WeakPolarHBondContact OG-CB 3.33Å; S91-N133 PolarHBondContact OG-ND2 2.78Å
92E97.4Very high97.3Very high131 Ų13118.6 Ų18.661%0.61210%0.102SC*.THydrogen-bonded Turntrans56.6-103.6-170.9-54.7171.912100111.2N133 K137E92-N133 PolarHBondContact OE2-ND2 3.12Å; E92-K137 IonicContact OE2-NZ 3.65Å; E92-K137 PolarHBondContact OE2-NZ 3.24Å
93H98.2Very high97.3Very high23 Ų2323.1 Ų23.111%0.10612%0.121CC..THydrogen-bonded Turntrans-88.8-15.9-178.349.2-85.6000113.3S91 N133 D163 S164 R165S91-H93 PolarHBondContact O-N 2.99Å; H93-N133 PolarHBondContact CE1-ND2 3.28Å; H93-D163 IonicContact CD2-OD1 3.83Å; H93-D163 PolarHBondContact CD2-OD1 3.39Å; H93-D163 IonicContact CD2-OD2 3.13Å; H93-D163 IonicContact CG-OD1 3.61Å; H93-D163 CarbonylContact O-C 3.39Å; H93-D163 WeakPolarHBondContact O-CA 3.5Å; H93-S164 PolarHBondContact O-N 3.47Å; H93-R165 HydrophobicContact CB-CG 3.91Å; H93-R165 PolarHBondContact CD2-NE 3.09Å; H93-R165 VanDerWaalsContact CD2-NE 3.29Å; H93-R165 PolarHBondContact CD2-NH2 3.16Å; H93-R165 VanDerWaalsContact CG-NE 3.31Å; H93-R165 VanDerWaalsContact NE2-CZ 3.31Å; H93-R165 PolarHBondContact NE2-NH2 2.77Å
94I98.8Very high97.4Very high0 Ų020.3 Ų20.30%011%0.109CC..EExtended strand (participates in β ladder)trans-81.6129175.6-60.9-57.4000109.1V90 S91 V96 V132 N133 L142 I161 M162 D163V90-I94 CarbonylContact C-O 3.54Å; V90-I94 WeakPolarHBondContact CA-O 3.42Å; S91-I94 PolarHBondContact N-O 2.65Å; S91-I94 PolarHBondContact O-N 3.27Å; I94-V96 HydrophobicContact CG2-CG2 3.89Å; I94-V132 HydrophobicContact CD1-CG1 4.06Å; I94-V132 HydrophobicContact CG1-CG1 4.31Å; I94-V132 HydrophobicContact CG2-CB 4.19Å; I94-V132 HydrophobicContact CG2-CG1 4.1Å; I94-N133 HydrophobicContact CB-CB 4.5Å; I94-N133 HydrophobicContact CG1-CB 3.91Å; I94-L142 HydrophobicContact CD1-CD1 4.1Å; I94-I161 HydrophobicContact CG2-CG2 4.2Å; I94-M162 WeakPolarHBondContact CA-O 3.41Å; I94-D163 HydrophobicContact CD1-CB 4.12Å
95V98.9Very high97.4Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-125.9133.5176.9-164.70000109.2A35 M43 I70 P88 H89 V90 I161 M162A35-V95 HydrophobicContact CB-CG1 3.89Å; M43-V95 HydrophobicContact CG-CG2 4.49Å; I70-V95 HydrophobicContact CD1-CB 4.2Å; I70-V95 HydrophobicContact CD1-CG1 3.98Å; I70-V95 HydrophobicContact CG1-CG1 4.46Å; P88-V95 HydrophobicContact CB-CG1 3.44Å; P88-V95 VanDerWaalsContact CB-CG1 3.44Å; P88-V95 HydrophobicContact CG-CG1 4.31Å; H89-V95 WeakPolarHBondContact O-CA 3.47Å; V90-V95 HydrophobicContact CG1-CB 4.36Å; V90-V95 HydrophobicContact CG1-CG1 3.93Å; V90-V95 HydrophobicContact CG1-CG2 4.08Å; V95-I161 WeakPolarHBondContact O-CA 3.36Å; V95-M162 HydrophobicContact CB-CE 3.68Å; V95-M162 HydrophobicContact CB-CG 3.92Å; V95-M162 HydrophobicContact CG1-CE 4.03Å; V95-M162 HydrophobicContact CG2-CE 3.46Å; V95-M162 VanDerWaalsContact CG2-CE 3.46Å; V95-M162 HydrophobicContact CG2-CG 4.15Å; V95-M162 PolarHBondContact N-O 3.05Å; V95-M162 PolarHBondContact O-N 3.49Å
96V98.9Very high97.4Very high0 Ų025 Ų250%012%0.123CC..EExtended strand (participates in β ladder)trans-134.3136.9-170.9-178.90000111.4P88 H89 I94 T125 I128 A129 T159 V160 I161P88-V96 CarbonylContact C-O 3.46Å; P88-V96 VanDerWaalsContact CA-O 3.22Å; P88-V96 WeakPolarHBondContact CA-O 3.49Å; P88-V96 WeakPolarHBondContact CB-O 3.33Å; H89-V96 PolarHBondContact N-O 3.02Å; H89-V96 PolarHBondContact O-N 3.02Å; I94-V96 HydrophobicContact CG2-CG2 3.89Å; V96-T125 HydrophobicContact CG1-CG2 4.48Å; V96-I128 HydrophobicContact CG1-CB 4.23Å; V96-I128 HydrophobicContact CG1-CG2 3.92Å; V96-I128 HydrophobicContact CG2-CG2 4.37Å; V96-A129 HydrophobicContact CB-CB 4.36Å; V96-A129 HydrophobicContact CG2-CB 3.86Å; V96-T159 WeakPolarHBondContact CG1-OG1 3.48Å; V96-V160 WeakPolarHBondContact CA-O 3.45Å; V96-I161 HydrophobicContact CG1-CG1 4.43Å; V96-I161 HydrophobicContact CG2-CG1 4.19Å; V96-I161 HydrophobicContact CG2-CG2 4.23Å
97V98.7Very high97.4Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-120.9141.5163.4-65.60000109.2I4 I70 H72 H87 P88 T159 V160I4-V97 HydrophobicContact CB-CG2 4.4Å; I4-V97 HydrophobicContact CD1-CG2 4.36Å; I4-V97 HydrophobicContact CG1-CB 4.28Å; I4-V97 HydrophobicContact CG1-CG2 4.07Å; I4-V97 HydrophobicContact CG2-CG2 3.52Å; I70-V97 HydrophobicContact CB-CG1 4.22Å; I70-V97 HydrophobicContact CB-CG2 3.99Å; I70-V97 HydrophobicContact CD1-CG1 4.01Å; I70-V97 HydrophobicContact CD1-CG2 4.15Å; I70-V97 HydrophobicContact CG1-CG1 4.05Å; I70-V97 HydrophobicContact CG1-CG2 4.45Å; H72-V97 HydrophobicContact CB-CB 4.12Å; H72-V97 HydrophobicContact CB-CG1 3.77Å; H87-V97 HydrophobicContact CB-CG1 4.33Å; P88-V97 HydrophobicContact CB-CG1 3.76Å; P88-V97 HydrophobicContact CG-CG1 3.64Å; V97-T159 VanDerWaalsContact O-CA 3.28Å; V97-T159 WeakPolarHBondContact O-CA 3.22Å; V97-T159 PolarHBondContact O-OG1 3.2Å; V97-T159 VanDerWaalsContact O-OG1 3.08Å; V97-V160 HydrophobicContact CG2-CB 3.82Å; V97-V160 HydrophobicContact CG2-CG2 4.48Å; V97-V160 PolarHBondContact N-O 2.67Å; V97-V160 PolarHBondContact O-N 2.94Å
98H97.5Very high97.4Very high1 Ų129.2 Ų29.21%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-144.6132.5-169.1167.7-123.5000111.7H72 H87 G100 D124 T125 I128 Y157 G158H72-H98 PolarHBondContact NE2-O 2.89Å; H87-H98 PolarHBondContact CE1-O 2.88Å; H87-H98 PolarHBondContact ND1-N 3.26Å; H87-H98 PolarHBondContact ND1-O 3.5Å; H98-G100 PolarHBondContact CE1-O 3.02Å; H98-G100 VanDerWaalsContact CE1-O 3.26Å; H98-G100 WeakPolarHBondContact NE2-CA 3.29Å; H98-D124 IonicContact CE1-OD2 3.44Å; H98-T125 HydrophobicContact CB-CG2 3.52Å; H98-T125 PolarHBondContact ND1-OG1 3.19Å; H98-I128 HydrophobicContact CB-CD1 4.12Å; H98-Y157 VanDerWaalsContact NE2-CB 3.27Å; H98-Y157 WeakPolarHBondContact NE2-CB 3.49Å; H98-G158 WeakPolarHBondContact CA-O 3.36Å
99N93.4Very high97.4Very high0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-115.8115.7168.7178.926.9000107.8C2 I4 Y157 G158 S177 T607C2-N99 HydrophobicContact CB-CB 3.87Å; C2-N99 PolarHBondContact N-OD1 3.06Å; C2-N99 PolarHBondContact O-ND2 3.07Å; I4-N99 HydrophobicContact CD1-CB 3.84Å; I4-N99 HydrophobicContact CG1-CB 4.36Å; N99-Y157 CarbonylContact O-C 3.59Å; N99-Y157 WeakPolarHBondContact O-CA 3.32Å; N99-G158 PolarHBondContact N-O 2.96Å; N99-G158 PolarHBondContact O-N 3.39Å; N99-S177 VanDerWaalsContact O-CB 3.25Å; N99-S177 WeakPolarHBondContact O-CB 3.35Å; N99-S177 PolarHBondContact O-OG 3.13Å; N99-S177 VanDerWaalsContact O-OG 3.06Å; N99-T607 PolarHBondContact OD1-OG1 3.24Å
100G92.4Very high97.4Very high6 Ų636.1 Ų36.16%0.06218%0.18CC..EExtended strand (participates in β ladder)trans145.7-168.2-171.700000112.9H98 A156H98-G100 PolarHBondContact CE1-O 3.02Å; H98-G100 VanDerWaalsContact CE1-O 3.26Å; H98-G100 WeakPolarHBondContact NE2-CA 3.29Å; G100-A156 CarbonylContact C-O 3.46Å; G100-A156 WeakPolarHBondContact CA-O 3.48Å
101I94.6Very high97.4Very high28 Ų2838.2 Ų38.214%0.14419%0.188CC..EExtended strand (participates in β ladder)trans-136.8126173.3-65.2172.8000108.3T77 E103 D124 A156 V608 E609T77-I101 HydrophobicContact CG2-CD1 4.24Å; T77-I101 HydrophobicContact CG2-CG1 4.47Å; I101-E103 HydrophobicContact CG2-CG 4.4Å; I101-E103 PolarHBondContact O-N 3.33Å; I101-D124 WeakPolarHBondContact CA-OD2 3.27Å; I101-A156 CarbonylContact C-O 3.41Å; I101-A156 PolarHBondContact N-O 3.43Å; I101-A156 PolarHBondContact O-N 3.23Å; I101-A156 VanDerWaalsContact O-O 3.13Å; I101-V608 HydrophobicContact CD1-CB 4.24Å; I101-V608 HydrophobicContact CD1-CG2 4.4Å; I101-V608 HydrophobicContact CG1-CB 4.36Å; I101-E609 WeakPolarHBondContact CD1-O 3.33Å
102I97.2Very high97.4Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-86.796.8166.8-51.7-53.4000108.3N104 H105 L108 D124 V127 I128 L153 R154 Y157I102-N104 WeakPolarHBondContact CG2-OD1 2.85Å; I102-N104 PolarHBondContact O-N 2.95Å; I102-H105 HydrophobicContact CB-CB 4.21Å; I102-H105 HydrophobicContact CG2-CB 4.17Å; I102-H105 VanDerWaalsContact O-CB 3.26Å; I102-H105 WeakPolarHBondContact O-CB 3.4Å; I102-H105 PolarHBondContact O-N 3.12Å; I102-H105 VanDerWaalsContact O-N 3.14Å; I102-H105 PolarHBondContact O-ND1 2.81Å; I102-L108 HydrophobicContact CG2-CD1 4.14Å; I102-D124 HydrophobicContact CB-CB 4.25Å; I102-D124 PolarHBondContact N-OD2 3.04Å; I102-V127 HydrophobicContact CG2-CG2 4.07Å; I102-I128 HydrophobicContact CD1-CD1 3.94Å; I102-I128 HydrophobicContact CD1-CG1 4.3Å; I102-I128 HydrophobicContact CG1-CD1 3.88Å; I102-I128 HydrophobicContact CG1-CG1 4.02Å; I102-L153 HydrophobicContact CD1-CB 4.37Å; I102-L153 HydrophobicContact CD1-CD1 4.25Å; I102-L153 HydrophobicContact CD1-CD2 4.49Å; I102-L153 HydrophobicContact CG2-CD2 4.1Å; I102-R154 CarbonylContact C-O 3.54Å; I102-R154 WeakPolarHBondContact CA-O 3.49Å; I102-Y157 HydrophobicContact CD1-CD1 3.77Å; I102-Y157 HydrophobicContact CD1-CG 4.18Å
103E95Very high97.5Very high117 Ų11736.1 Ų36.155%0.54718%0.176SC..THydrogen-bonded Turntrans-62.4-32.3-175.1-69.4171.1-173.400112.6I101 H105 R154 G155I101-E103 HydrophobicContact CG2-CG 4.4Å; I101-E103 PolarHBondContact O-N 3.33Å; E103-H105 VanDerWaalsContact C-N 3.35Å; E103-R154 PolarHBondContact N-O 2.93Å; E103-G155 VanDerWaalsContact CD-CA 3.46Å; E103-G155 WeakPolarHBondContact OE1-CA 3.33Å
104N98Very high97.5Very high29 Ų2939.4 Ų39.416%0.15521%0.207CC..THydrogen-bonded Turntrans-97.328.8178.271.3-35.5000113I102 E106 P107 L108 Q152 R154I102-N104 WeakPolarHBondContact CG2-OD1 2.85Å; I102-N104 PolarHBondContact O-N 2.95Å; N104-E106 VanDerWaalsContact C-N 3.33Å; N104-E106 PolarHBondContact O-N 3.22Å; N104-P107 HydrophobicContact CB-CG 4.09Å; N104-P107 VanDerWaalsContact O-CD 3.23Å; N104-P107 WeakPolarHBondContact O-CD 3.46Å; N104-P107 VanDerWaalsContact O-CG 3.25Å; N104-P107 WeakPolarHBondContact O-CG 3.35Å; N104-L108 WeakPolarHBondContact O-CG 3.28Å; N104-L108 PolarHBondContact O-N 2.92Å; N104-Q152 PolarHBondContact ND2-O 3.47Å; N104-R154 HydrophobicContact CB-CB 4.12Å; N104-R154 HydrophobicContact CB-CG 4.38Å; N104-R154 PolarHBondContact OD1-N 2.68Å
105H97.8Very high97.5Very high14 Ų1443.3 Ų43.37%0.06522%0.222CC..Hα-helixtrans-65.5-32.5-178.472.2-89.2000113.2H78 I102 E103 L108 R109 D124 V127H78-H105 AromaticContact CD2-CE1 3.49Å; H78-H105 PolarHBondContact CD2-CE1 2.87Å; H78-H105 VanDerWaalsContact CD2-CE1 3.49Å; H78-H105 AromaticContact NE2-CE1 3.52Å; I102-H105 HydrophobicContact CB-CB 4.21Å; I102-H105 HydrophobicContact CG2-CB 4.17Å; I102-H105 VanDerWaalsContact O-CB 3.26Å; I102-H105 WeakPolarHBondContact O-CB 3.4Å; I102-H105 PolarHBondContact O-N 3.12Å; I102-H105 VanDerWaalsContact O-N 3.14Å; I102-H105 PolarHBondContact O-ND1 2.81Å; E103-H105 VanDerWaalsContact C-N 3.35Å; H105-L108 PolarHBondContact O-N 3.28Å; H105-R109 PolarHBondContact CD2-NH1 3.42Å; H105-R109 PolarHBondContact CD2-NH2 3.34Å; H105-R109 PolarHBondContact NE2-NH1 3Å; H105-R109 WeakPolarHBondContact O-CB 3.48Å; H105-R109 PolarHBondContact O-N 3.27Å; H105-D124 HydrophobicContact CB-CB 3.75Å; H105-V127 HydrophobicContact CB-CG1 4.1Å; H105-V127 HydrophobicContact CB-CG2 4.37Å
106E98Very high97.4Very high133 Ų13346.4 Ų46.462%0.62125%0.254SS*.Hα-helixtrans-59.5-56.4178.4-68-178.3-174.800113.1N104 L108 R109 E110N104-E106 VanDerWaalsContact C-N 3.33Å; N104-E106 PolarHBondContact O-N 3.22Å; E106-L108 VanDerWaalsContact C-N 3.31Å; E106-L108 PolarHBondContact O-N 3.24Å; E106-R109 PolarHBondContact O-N 3.18Å; E106-E110 PolarHBondContact O-N 2.87Å; E106-E110 VanDerWaalsContact O-N 3.12Å
107P98.2Very high97.4Very high83 Ų8347.5 Ų47.554%0.53926%0.258SS..Hα-helixtrans-62.8-37.5178.322.7-33.1000112.4N104 E110 E111N104-P107 HydrophobicContact CB-CG 4.09Å; N104-P107 VanDerWaalsContact O-CD 3.23Å; N104-P107 WeakPolarHBondContact O-CD 3.46Å; N104-P107 VanDerWaalsContact O-CG 3.25Å; N104-P107 WeakPolarHBondContact O-CG 3.35Å; P107-E110 PolarHBondContact O-N 3.4Å; P107-E111 WeakPolarHBondContact O-CB 3.28Å; P107-E111 PolarHBondContact O-N 3.49Å
108L98.6Very high97.4Very high8 Ų852.5 Ų52.54%0.04229%0.289CS..Hα-helixtrans-64.2-42.2176.4-69.7173.7000112I102 N104 H105 E106 E111 L112 V127 Q152 L153I102-L108 HydrophobicContact CG2-CD1 4.14Å; N104-L108 WeakPolarHBondContact O-CG 3.28Å; N104-L108 PolarHBondContact O-N 2.92Å; H105-L108 PolarHBondContact O-N 3.28Å; E106-L108 VanDerWaalsContact C-N 3.31Å; E106-L108 PolarHBondContact O-N 3.24Å; L108-E111 PolarHBondContact O-N 2.61Å; L108-L112 WeakPolarHBondContact O-CB 3.34Å; L108-L112 WeakPolarHBondContact O-CD1 3.35Å; L108-L112 VanDerWaalsContact O-CG 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.08Å; L108-L112 PolarHBondContact O-N 2.58Å; L108-V127 HydrophobicContact CB-CB 4.27Å; L108-V127 HydrophobicContact CB-CG1 4.4Å; L108-V127 HydrophobicContact CB-CG2 4.45Å; L108-V127 HydrophobicContact CD1-CG2 4.1Å; L108-Q152 HydrophobicContact CD2-CB 4.47Å; L108-L153 HydrophobicContact CD1-CD2 3.82Å
109R98.6Very high97.4Very high35 Ų3553.9 Ų53.913%0.13230%0.295CS..Hα-helixtrans-61.1-46.9178.9-179179.4-66.4137.6-5.8110.9H105 E106 L112 K113 F119 E122 T123 V127H105-R109 PolarHBondContact CD2-NH1 3.42Å; H105-R109 PolarHBondContact CD2-NH2 3.34Å; H105-R109 PolarHBondContact NE2-NH1 3Å; H105-R109 WeakPolarHBondContact O-CB 3.48Å; H105-R109 PolarHBondContact O-N 3.27Å; E106-R109 PolarHBondContact O-N 3.18Å; R109-L112 PolarHBondContact O-N 3.05Å; R109-K113 HydrophobicContact CG-CD 4.43Å; R109-K113 WeakPolarHBondContact O-CB 3.36Å; R109-K113 WeakPolarHBondContact O-CG 3.31Å; R109-K113 PolarHBondContact O-N 3.26Å; R109-F119 HydrophobicContact CB-CE1 4.22Å; R109-F119 HydrophobicContact CB-CE2 4.37Å; R109-F119 HydrophobicContact CB-CZ 4.01Å; R109-F119 HydrophobicContact CG-CD1 3.9Å; R109-F119 HydrophobicContact CG-CD2 3.86Å; R109-F119 HydrophobicContact CG-CE1 3.79Å; R109-F119 HydrophobicContact CG-CE2 3.75Å; R109-F119 HydrophobicContact CG-CG 3.94Å; R109-F119 HydrophobicContact CG-CZ 3.72Å; R109-E122 PolarHBondContact NH2-O 3.04Å; R109-T123 VanDerWaalsContact NH2-C 3.32Å; R109-T123 PolarHBondContact NH2-O 3.49Å; R109-V127 HydrophobicContact CB-CG1 4Å
110E98.6Very high97.7Very high112 Ų11259.1 Ų59.152%0.52333%0.327SS..Hα-helixtrans-66.7-39.5178.8-65.6-53.6117.800112.1E106 P107 K113 A114E106-E110 PolarHBondContact O-N 2.87Å; E106-E110 VanDerWaalsContact O-N 3.12Å; P107-E110 PolarHBondContact O-N 3.4Å; E110-K113 PolarHBondContact O-N 3.46Å; E110-K113 IonicContact OE1-NZ 3.04Å; E110-K113 PolarHBondContact OE1-NZ 2.97Å; E110-A114 PolarHBondContact O-N 2.99Å
111E98.6Very high97.9Very high78 Ų7859.5 Ų59.536%0.36433%0.328SS..Hα-helixtrans-61.3-45173.7-178.7177.3-177.500112.4P107 L108 A114 R115P107-E111 WeakPolarHBondContact O-CB 3.28Å; P107-E111 PolarHBondContact O-N 3.49Å; L108-E111 PolarHBondContact O-N 2.61Å; E111-A114 WeakPolarHBondContact O-CB 3.38Å; E111-A114 PolarHBondContact O-N 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.43Å; E111-R115 PolarHBondContact O-N 3.41Å; E111-R115 IonicContact OE1-CZ 3.42Å; E111-R115 IonicContact OE1-NE 3.55Å; E111-R115 IonicContact OE1-NH1 2.83Å; E111-R115 IonicContact OE1-NH2 3.01Å; E111-R115 PolarHBondContact OE1-NH2 2.82Å
112L98.7Very high98Very high1 Ų163.5 Ų63.51%0.00535%0.346CS..Hα-helixtrans-70.8-35.8-179.7-69.6163.8000111.9L108 R109 A114 R115 G116 Y117 F119 V127 H130 L131 W134L108-L112 WeakPolarHBondContact O-CB 3.34Å; L108-L112 WeakPolarHBondContact O-CD1 3.35Å; L108-L112 VanDerWaalsContact O-CG 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.08Å; L108-L112 PolarHBondContact O-N 2.58Å; R109-L112 PolarHBondContact O-N 3.05Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 3.48Å; L112-R115 CarbonylContact O-C 3.56Å; L112-R115 WeakPolarHBondContact O-CB 3.4Å; L112-R115 PolarHBondContact O-N 3.08Å; L112-R115 VanDerWaalsContact O-N 3.11Å; L112-G116 PolarHBondContact O-N 2.75Å; L112-Y117 HydrophobicContact CB-CD2 4.16Å; L112-Y117 HydrophobicContact CD2-CD2 4.05Å; L112-Y117 HydrophobicContact CD2-CE2 4.16Å; L112-Y117 WeakPolarHBondContact O-CD2 3.32Å; L112-Y117 PolarHBondContact O-N 2.86Å; L112-Y117 VanDerWaalsContact O-N 3.16Å; L112-F119 HydrophobicContact CB-CE2 3.95Å; L112-F119 HydrophobicContact CB-CZ 4.1Å; L112-F119 HydrophobicContact CD1-CZ 4.17Å; L112-V127 HydrophobicContact CD1-CB 4.24Å; L112-H130 HydrophobicContact CD1-CB 3.96Å; L112-H130 HydrophobicContact CD2-CB 4.39Å; L112-L131 HydrophobicContact CD1-CB 4.2Å; L112-L131 HydrophobicContact CD2-CD1 4.47Å; L112-W134 HydrophobicContact CD2-CB 4.32Å
113K98.5Very high98Very high91 Ų9163.5 Ų63.540%0.39635%0.346SS..Hα-helixtrans-59.7-43.2169.9-76.9175.1-176167.70111.7R109 E110 R115 G116 Y117 F119R109-K113 HydrophobicContact CG-CD 4.43Å; R109-K113 WeakPolarHBondContact O-CB 3.36Å; R109-K113 WeakPolarHBondContact O-CG 3.31Å; R109-K113 PolarHBondContact O-N 3.26Å; E110-K113 PolarHBondContact O-N 3.46Å; E110-K113 IonicContact OE1-NZ 3.04Å; E110-K113 PolarHBondContact OE1-NZ 2.97Å; K113-R115 PolarHBondContact O-N 3.32Å; K113-G116 PolarHBondContact O-N 3.35Å; K113-Y117 WeakPolarHBondContact CA-O 3.49Å; K113-F119 HydrophobicContact CG-CD2 3.75Å; K113-F119 HydrophobicContact CG-CE2 4.03Å
114A98.4Very high98.1Very high91 Ų9158 Ų5875%0.75232%0.321SS*.Hα-helixtrans-62.9-24.4176.300000113E110 E111 L112 G116E110-A114 PolarHBondContact O-N 2.99Å; E111-A114 WeakPolarHBondContact O-CB 3.38Å; E111-A114 PolarHBondContact O-N 3.49Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 3.48Å; A114-G116 VanDerWaalsContact C-N 3.31Å
115R98.1Very high98.1Very high83 Ų8356.7 Ų56.731%0.31331%0.314SS..THydrogen-bonded Turntrans-85.63.1173.3-66.7168.5175.8-176.7-0.7113.8E111 L112 K113 Y117 W134E111-R115 WeakPolarHBondContact O-CG 3.43Å; E111-R115 PolarHBondContact O-N 3.41Å; E111-R115 IonicContact OE1-CZ 3.42Å; E111-R115 IonicContact OE1-NE 3.55Å; E111-R115 IonicContact OE1-NH1 2.83Å; E111-R115 IonicContact OE1-NH2 3.01Å; E111-R115 PolarHBondContact OE1-NH2 2.82Å; L112-R115 CarbonylContact O-C 3.56Å; L112-R115 WeakPolarHBondContact O-CB 3.4Å; L112-R115 PolarHBondContact O-N 3.08Å; L112-R115 VanDerWaalsContact O-N 3.11Å; K113-R115 PolarHBondContact O-N 3.32Å; R115-Y117 HydrophobicContact CB-CD2 4.34Å; R115-Y117 HydrophobicContact CB-CE2 4.44Å; R115-W134 HydrophobicContact CB-CE3 4.05Å; R115-W134 HydrophobicContact CB-CH2 4.36Å; R115-W134 HydrophobicContact CB-CZ3 3.83Å; R115-W134 HydrophobicContact CG-CE3 4.29Å; R115-W134 HydrophobicContact CG-CH2 4.01Å; R115-W134 HydrophobicContact CG-CZ2 4.37Å; R115-W134 HydrophobicContact CG-CZ3 3.98Å
116G98.2Very high98.1Very high64 Ų6456.1 Ų56.166%0.6631%0.311SS*.THydrogen-bonded Turntrans96.84.5173.900000115.7L112 K113 A114L112-G116 PolarHBondContact O-N 2.75Å; K113-G116 PolarHBondContact O-N 3.35Å; A114-G116 VanDerWaalsContact C-N 3.31Å
117Y98.5Very high98.2Very high23 Ų2349.8 Ų49.89%0.0928%0.282CS..  trans-75.4141.1173.6-66.1-77.9000111.3L112 K113 R115 H130 N133 W134 K137L112-Y117 HydrophobicContact CB-CD2 4.16Å; L112-Y117 HydrophobicContact CD2-CD2 4.05Å; L112-Y117 HydrophobicContact CD2-CE2 4.16Å; L112-Y117 WeakPolarHBondContact O-CD2 3.32Å; L112-Y117 PolarHBondContact O-N 2.86Å; L112-Y117 VanDerWaalsContact O-N 3.16Å; K113-Y117 WeakPolarHBondContact CA-O 3.49Å; R115-Y117 HydrophobicContact CB-CD2 4.34Å; R115-Y117 HydrophobicContact CB-CE2 4.44Å; Y117-H130 HydrophobicContact CD1-CB 4.12Å; Y117-H130 AromaticContact CD1-CG 3.83Å; Y117-H130 AromaticContact CD1-ND1 3.33Å; Y117-H130 VanDerWaalsContact CD1-ND1 3.33Å; Y117-H130 WeakPolarHBondContact CD1-ND1 3.45Å; Y117-H130 HydrophobicContact CD2-CB 4.36Å; Y117-H130 HydrophobicContact CG-CB 4.02Å; Y117-H130 AromaticContact CG-CG 3.92Å; Y117-H130 AromaticContact CG-ND1 3.88Å; Y117-N133 HydrophobicContact CE1-CB 4.33Å; Y117-N133 PolarHBondContact OH-OD1 3.21Å; Y117-W134 HydrophobicContact CE2-CB 3.97Å; Y117-W134 AromaticContact CE2-CE3 3.97Å; Y117-W134 HydrophobicContact CE2-CE3 3.97Å; Y117-W134 VanDerWaalsContact OH-CA 3.29Å; Y117-W134 WeakPolarHBondContact OH-CA 3.36Å; Y117-W134 PolarHBondContact OH-N 2.96Å; Y117-K137 PolarHBondContact OH-NZ 3.2Å
118T98.5Very high98.2Very high106 Ų10646 Ų4665%0.6526%0.257SS*.  trans-105.2124.2172-59.30000108.7V120 H130T118-V120 HydrophobicContact CG2-CG1 4.48Å; T118-H130 PolarHBondContact O-NE2 3.47Å
119F98.4Very high98.2Very high29 Ų2945.6 Ų45.613%0.12726%0.255CS..  trans-85.5128.8173.6-76.1-103.9000109.2R109 L112 K113 E126 V127 H130R109-F119 HydrophobicContact CB-CE1 4.22Å; R109-F119 HydrophobicContact CB-CE2 4.37Å; R109-F119 HydrophobicContact CB-CZ 4.01Å; R109-F119 HydrophobicContact CG-CD1 3.9Å; R109-F119 HydrophobicContact CG-CD2 3.86Å; R109-F119 HydrophobicContact CG-CE1 3.79Å; R109-F119 HydrophobicContact CG-CE2 3.75Å; R109-F119 HydrophobicContact CG-CG 3.94Å; R109-F119 HydrophobicContact CG-CZ 3.72Å; L112-F119 HydrophobicContact CB-CE2 3.95Å; L112-F119 HydrophobicContact CB-CZ 4.1Å; L112-F119 HydrophobicContact CD1-CZ 4.17Å; K113-F119 HydrophobicContact CG-CD2 3.75Å; K113-F119 HydrophobicContact CG-CE2 4.03Å; F119-E126 HydrophobicContact CD1-CB 3.98Å; F119-E126 HydrophobicContact CD1-CG 3.73Å; F119-E126 WeakPolarHBondContact CD1-OE2 3.13Å; F119-E126 HydrophobicContact CE1-CB 4.12Å; F119-E126 HydrophobicContact CE1-CG 4.03Å; F119-V127 HydrophobicContact CE1-CB 4.3Å; F119-V127 HydrophobicContact CE1-CG1 3.6Å; F119-V127 HydrophobicContact CZ-CB 4.46Å; F119-V127 HydrophobicContact CZ-CG1 3.93Å; F119-H130 AromaticContact CE1-CD2 3.76Å; F119-H130 AromaticContact CE2-CD2 3.8Å; F119-H130 AromaticContact CZ-CD2 3.6Å
120V97.9Very high98.2Very high111 Ų11144.4 Ų44.467%0.67325%0.251SS*.  trans-110.51.8-179.3-59.80000112.8T118 E126T118-V120 HydrophobicContact CG2-CG1 4.48Å; V120-E126 VanDerWaalsContact CG2-OE1 3.3Å; V120-E126 WeakPolarHBondContact CG2-OE1 3.39Å; V120-E126 PolarHBondContact N-OE1 3.15Å; V120-E126 PolarHBondContact N-OE2 3.01Å
121S97.7Very high98.2Very high14 Ų1439.2 Ų39.210%0.09823%0.226CC..SBendtrans-132.7169.5176.277.40000111.8N85 H89 T123 E126N85-S121 WeakPolarHBondContact OD1-CB 3.36Å; H89-S121 VanDerWaalsContact CE1-CB 3.47Å; H89-S121 WeakPolarHBondContact CE1-CB 3.46Å; H89-S121 PolarHBondContact CE1-OG 3.47Å; S121-T123 PolarHBondContact OG-N 3.27Å; S121-T123 PolarHBondContact OG-OG1 3.1Å; S121-E126 WeakPolarHBondContact CA-OE2 3.49Å; S121-E126 WeakPolarHBondContact CB-OE2 3.36Å; S121-E126 PolarHBondContact N-OE2 3.37Å; S121-E126 PolarHBondContact OG-OE2 3.23Å
122E96.3Very high98.2Very high111 Ų11135.5 Ų35.552%0.51921%0.209SC..SBendtrans-93.9-2.2176.1-63.5161.1-83.800112N85 R109N85-E122 PolarHBondContact ND2-OE1 3.41Å; N85-E122 PolarHBondContact OD1-N 3Å; R109-E122 PolarHBondContact NH2-O 3.04Å
123T97.6Very high98.2Very high0 Ų035.5 Ų35.50%021%0.209CC..  trans-74.4144.9-171.475.40000111.3N85 H89 R109 S121 T125 E126N85-T123 HydrophobicContact CB-CG2 3.72Å; H89-T123 PolarHBondContact CE1-OG1 2.86Å; H89-T123 VanDerWaalsContact CE1-OG1 3.25Å; H89-T123 WeakPolarHBondContact NE2-CG2 3.36Å; H89-T123 PolarHBondContact NE2-OG1 3.13Å; R109-T123 VanDerWaalsContact NH2-C 3.32Å; R109-T123 PolarHBondContact NH2-O 3.49Å; S121-T123 PolarHBondContact OG-N 3.27Å; S121-T123 PolarHBondContact OG-OG1 3.1Å; T123-T125 PolarHBondContact O-N 3.02Å; T123-E126 PolarHBondContact OG1-N 3.21Å
124D96.9Very high98.2Very high2 Ų234.3 Ų34.31%0.01120%0.202CC..SBendtrans-58.7-35.4164.865.8-43.2000110.9H78 H98 I101 I102 H105 E126 V127H78-D124 HydrophobicContact CB-CB 4.48Å; H98-D124 IonicContact CE1-OD2 3.44Å; I101-D124 WeakPolarHBondContact CA-OD2 3.27Å; I102-D124 HydrophobicContact CB-CB 4.25Å; I102-D124 PolarHBondContact N-OD2 3.04Å; H105-D124 HydrophobicContact CB-CB 3.75Å; D124-E126 VanDerWaalsContact C-N 3.32Å; D124-E126 PolarHBondContact O-N 2.6Å; D124-V127 WeakPolarHBondContact O-CG2 3.33Å; D124-V127 PolarHBondContact O-N 3.46Å
125T97.8Very high98.2Very high2 Ų230.9 Ų30.91%0.01217%0.171CC..THydrogen-bonded Turntrans-59-35.5-176.4-61.10000114.1H87 H89 V96 H98 T123 V127 I128H87-T125 PolarHBondContact CE1-OG1 3.35Å; H87-T125 WeakPolarHBondContact NE2-CB 3.31Å; H87-T125 PolarHBondContact NE2-OG1 2.69Å; H89-T125 HydrophobicContact CB-CG2 4.48Å; V96-T125 HydrophobicContact CG1-CG2 4.48Å; H98-T125 HydrophobicContact CB-CG2 3.52Å; H98-T125 PolarHBondContact ND1-OG1 3.19Å; T123-T125 PolarHBondContact O-N 3.02Å; T125-V127 PolarHBondContact O-N 3.39Å; T125-V127 VanDerWaalsContact O-N 3.13Å; T125-I128 WeakPolarHBondContact O-CB 3.44Å; T125-I128 PolarHBondContact O-N 2.89Å
126E98.5Very high98.2Very high2 Ų228.1 Ų28.11%0.00916%0.162CC..Hα-helixtrans-59.8-26.3-178-171.9172.1-156.500112.7F119 V120 S121 T123 D124 I128 A129 H130F119-E126 HydrophobicContact CD1-CB 3.98Å; F119-E126 HydrophobicContact CD1-CG 3.73Å; F119-E126 WeakPolarHBondContact CD1-OE2 3.13Å; F119-E126 HydrophobicContact CE1-CB 4.12Å; F119-E126 HydrophobicContact CE1-CG 4.03Å; V120-E126 VanDerWaalsContact CG2-OE1 3.3Å; V120-E126 WeakPolarHBondContact CG2-OE1 3.39Å; V120-E126 PolarHBondContact N-OE1 3.15Å; V120-E126 PolarHBondContact N-OE2 3.01Å; S121-E126 WeakPolarHBondContact CA-OE2 3.49Å; S121-E126 WeakPolarHBondContact CB-OE2 3.36Å; S121-E126 PolarHBondContact N-OE2 3.37Å; S121-E126 PolarHBondContact OG-OE2 3.23Å; T123-E126 PolarHBondContact OG1-N 3.21Å; D124-E126 VanDerWaalsContact C-N 3.32Å; D124-E126 PolarHBondContact O-N 2.6Å; E126-I128 PolarHBondContact O-N 3.07Å; E126-A129 PolarHBondContact O-N 2.93Å; E126-H130 PolarHBondContact O-N 3.07Å; E126-H130 IonicContact OE1-NE2 3.37Å
127V98.6Very high98.2Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-63.1-32.5175.9-50.70000111.8I102 H105 L108 R109 L112 F119 D124 T125 L131I102-V127 HydrophobicContact CG2-CG2 4.07Å; H105-V127 HydrophobicContact CB-CG1 4.1Å; H105-V127 HydrophobicContact CB-CG2 4.37Å; L108-V127 HydrophobicContact CB-CB 4.27Å; L108-V127 HydrophobicContact CB-CG1 4.4Å; L108-V127 HydrophobicContact CB-CG2 4.45Å; L108-V127 HydrophobicContact CD1-CG2 4.1Å; R109-V127 HydrophobicContact CB-CG1 4Å; L112-V127 HydrophobicContact CD1-CB 4.24Å; F119-V127 HydrophobicContact CE1-CB 4.3Å; F119-V127 HydrophobicContact CE1-CG1 3.6Å; F119-V127 HydrophobicContact CZ-CB 4.46Å; F119-V127 HydrophobicContact CZ-CG1 3.93Å; D124-V127 WeakPolarHBondContact O-CG2 3.33Å; D124-V127 PolarHBondContact O-N 3.46Å; T125-V127 PolarHBondContact O-N 3.39Å; T125-V127 VanDerWaalsContact O-N 3.13Å; V127-L131 WeakPolarHBondContact O-CB 3.05Å; V127-L131 PolarHBondContact O-N 3.42Å
128I98.7Very high98.1Very high2 Ų235 Ų351%0.0118%0.176CC..Hα-helixtrans-64.7-46.2178.9-55.6171.4000109.5V96 H98 I102 T125 E126 H130 L131 V132 L153 I161V96-I128 HydrophobicContact CG1-CB 4.23Å; V96-I128 HydrophobicContact CG1-CG2 3.92Å; V96-I128 HydrophobicContact CG2-CG2 4.37Å; H98-I128 HydrophobicContact CB-CD1 4.12Å; I102-I128 HydrophobicContact CD1-CD1 3.94Å; I102-I128 HydrophobicContact CD1-CG1 4.3Å; I102-I128 HydrophobicContact CG1-CD1 3.88Å; I102-I128 HydrophobicContact CG1-CG1 4.02Å; T125-I128 WeakPolarHBondContact O-CB 3.44Å; T125-I128 PolarHBondContact O-N 2.89Å; E126-I128 PolarHBondContact O-N 3.07Å; I128-H130 PolarHBondContact O-N 2.97Å; I128-L131 PolarHBondContact O-N 3.03Å; I128-V132 HydrophobicContact CG2-CG2 4.36Å; I128-V132 WeakPolarHBondContact O-CB 3.35Å; I128-V132 VanDerWaalsContact O-CG2 3.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.48Å; I128-V132 PolarHBondContact O-N 3.23Å; I128-L153 HydrophobicContact CG1-CD1 4.15Å; I128-L153 HydrophobicContact CG1-CD2 4.39Å; I128-I161 HydrophobicContact CG2-CD1 4.45Å
129A98.8Very high98Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-61.5-47.2-179.200000111.6S91 V96 E126 N133S91-A129 VanDerWaalsContact CB-C 3.48Å; S91-A129 VanDerWaalsContact CB-O 3.28Å; S91-A129 WeakPolarHBondContact CB-O 3.23Å; V96-A129 HydrophobicContact CB-CB 4.36Å; V96-A129 HydrophobicContact CG2-CB 3.86Å; E126-A129 PolarHBondContact O-N 2.93Å; A129-N133 WeakPolarHBondContact O-CB 3.38Å; A129-N133 PolarHBondContact O-N 3.27Å; A129-N133 VanDerWaalsContact O-N 3.1Å
130H98.9Very high97.9Very high11 Ų1132.8 Ų32.85%0.05118%0.183CC..Hα-helixtrans-69.6-37.8178.5-70.3-39.9000113.1S91 L112 Y117 T118 F119 E126 I128 N133 W134S91-H130 VanDerWaalsContact CB-ND1 3.25Å; S91-H130 WeakPolarHBondContact CB-ND1 3.44Å; S91-H130 PolarHBondContact OG-ND1 3.16Å; L112-H130 HydrophobicContact CD1-CB 3.96Å; L112-H130 HydrophobicContact CD2-CB 4.39Å; Y117-H130 HydrophobicContact CD1-CB 4.12Å; Y117-H130 AromaticContact CD1-CG 3.83Å; Y117-H130 AromaticContact CD1-ND1 3.33Å; Y117-H130 VanDerWaalsContact CD1-ND1 3.33Å; Y117-H130 WeakPolarHBondContact CD1-ND1 3.45Å; Y117-H130 HydrophobicContact CD2-CB 4.36Å; Y117-H130 HydrophobicContact CG-CB 4.02Å; Y117-H130 AromaticContact CG-CG 3.92Å; Y117-H130 AromaticContact CG-ND1 3.88Å; T118-H130 PolarHBondContact O-NE2 3.47Å; F119-H130 AromaticContact CE1-CD2 3.76Å; F119-H130 AromaticContact CE2-CD2 3.8Å; F119-H130 AromaticContact CZ-CD2 3.6Å; E126-H130 PolarHBondContact O-N 3.07Å; E126-H130 IonicContact OE1-NE2 3.37Å; I128-H130 PolarHBondContact O-N 2.97Å; H130-N133 PolarHBondContact O-N 3.25Å; H130-W134 WeakPolarHBondContact O-CB 3.42Å; H130-W134 PolarHBondContact O-N 3.4Å
131L98.8Very high97.9Very high2 Ų230.7 Ų30.71%0.0117%0.17CC..Hα-helixtrans-63.8-46177.7-17861000111.3L112 V127 I128 N133 W134 E135 A149 Q152 L153L112-L131 HydrophobicContact CD1-CB 4.2Å; L112-L131 HydrophobicContact CD2-CD1 4.47Å; V127-L131 WeakPolarHBondContact O-CB 3.05Å; V127-L131 PolarHBondContact O-N 3.42Å; I128-L131 PolarHBondContact O-N 3.03Å; L131-N133 PolarHBondContact O-N 2.91Å; L131-W134 WeakPolarHBondContact O-CB 3.41Å; L131-W134 PolarHBondContact O-N 3.24Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.04Å; L131-A149 HydrophobicContact CD2-CB 3.88Å; L131-A149 HydrophobicContact CG-CB 3.89Å; L131-Q152 HydrophobicContact CD2-CB 4.02Å; L131-L153 HydrophobicContact CD2-CD2 3.83Å; L131-L153 HydrophobicContact CD2-CG 4.42Å
132V98.8Very high97.9Very high1 Ų131 Ų311%0.00617%0.171CC..Hα-helixtrans-64.2-42177174.20000111I94 I128 W134 E135 L136 L142 V146 A149 I161I94-V132 HydrophobicContact CD1-CG1 4.06Å; I94-V132 HydrophobicContact CG1-CG1 4.31Å; I94-V132 HydrophobicContact CG2-CB 4.19Å; I94-V132 HydrophobicContact CG2-CG1 4.1Å; I128-V132 HydrophobicContact CG2-CG2 4.36Å; I128-V132 WeakPolarHBondContact O-CB 3.35Å; I128-V132 VanDerWaalsContact O-CG2 3.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.48Å; I128-V132 PolarHBondContact O-N 3.23Å; V132-W134 VanDerWaalsContact C-N 3.31Å; V132-W134 PolarHBondContact O-N 2.88Å; V132-E135 PolarHBondContact O-N 3.31Å; V132-L136 WeakPolarHBondContact O-CB 3.46Å; V132-L136 PolarHBondContact O-N 3.03Å; V132-L142 HydrophobicContact CG1-CD1 3.77Å; V132-V146 HydrophobicContact CG1-CG2 4.4Å; V132-V146 HydrophobicContact CG2-CG2 4.47Å; V132-A149 HydrophobicContact CG2-CB 4.04Å; V132-I161 HydrophobicContact CG1-CG2 4.16Å; V132-I161 HydrophobicContact CG2-CD1 4.08Å
133N98.8Very high98Very high0 Ų028.5 Ų28.50%016%0.156CC..Hα-helixtrans-59.2-43.8174.9-179-60.9000111.3S91 E92 H93 I94 Y117 A129 H130 L131 L136 K137S91-N133 PolarHBondContact O-ND2 3.38Å; S91-N133 VanDerWaalsContact OG-CB 3.27Å; S91-N133 WeakPolarHBondContact OG-CB 3.33Å; S91-N133 PolarHBondContact OG-ND2 2.78Å; E92-N133 PolarHBondContact OE2-ND2 3.12Å; H93-N133 PolarHBondContact CE1-ND2 3.28Å; I94-N133 HydrophobicContact CB-CB 4.5Å; I94-N133 HydrophobicContact CG1-CB 3.91Å; Y117-N133 HydrophobicContact CE1-CB 4.33Å; Y117-N133 PolarHBondContact OH-OD1 3.21Å; A129-N133 WeakPolarHBondContact O-CB 3.38Å; A129-N133 PolarHBondContact O-N 3.27Å; A129-N133 VanDerWaalsContact O-N 3.1Å; H130-N133 PolarHBondContact O-N 3.25Å; L131-N133 PolarHBondContact O-N 2.91Å; N133-L136 PolarHBondContact O-N 2.88Å; N133-K137 WeakPolarHBondContact O-CG 3.36Å; N133-K137 PolarHBondContact O-N 2.96Å; N133-K137 WeakPolarHBondContact OD1-CD 3.26Å; N133-K137 WeakPolarHBondContact OD1-CE 3.49Å; N133-K137 PolarHBondContact OD1-NZ 3.14Å
134W98.7Very high98Very high66 Ų6631.8 Ų31.825%0.2517%0.172CC..Hα-helixtrans-60.5-48.4175.9175.1-93.9000112.7L112 R115 Y117 H130 L131 V132 L136 K137 Q138L112-W134 HydrophobicContact CD2-CB 4.32Å; R115-W134 HydrophobicContact CB-CE3 4.05Å; R115-W134 HydrophobicContact CB-CH2 4.36Å; R115-W134 HydrophobicContact CB-CZ3 3.83Å; R115-W134 HydrophobicContact CG-CE3 4.29Å; R115-W134 HydrophobicContact CG-CH2 4.01Å; R115-W134 HydrophobicContact CG-CZ2 4.37Å; R115-W134 HydrophobicContact CG-CZ3 3.98Å; Y117-W134 HydrophobicContact CE2-CB 3.97Å; Y117-W134 AromaticContact CE2-CE3 3.97Å; Y117-W134 HydrophobicContact CE2-CE3 3.97Å; Y117-W134 VanDerWaalsContact OH-CA 3.29Å; Y117-W134 WeakPolarHBondContact OH-CA 3.36Å; Y117-W134 PolarHBondContact OH-N 2.96Å; H130-W134 WeakPolarHBondContact O-CB 3.42Å; H130-W134 PolarHBondContact O-N 3.4Å; L131-W134 WeakPolarHBondContact O-CB 3.41Å; L131-W134 PolarHBondContact O-N 3.24Å; V132-W134 VanDerWaalsContact C-N 3.31Å; V132-W134 PolarHBondContact O-N 2.88Å; W134-L136 VanDerWaalsContact C-N 3.27Å; W134-L136 PolarHBondContact O-N 3.32Å; W134-K137 WeakPolarHBondContact O-CB 3.48Å; W134-K137 PolarHBondContact O-N 3.23Å; W134-Q138 PolarHBondContact O-N 3.1Å; W134-Q138 PolarHBondContact O-NE2 3.13Å
135E98.6Very high98Very high20 Ų2031.7 Ų31.79%0.09317%0.171CC..Hα-helixtrans-62.5-36.5179.2-72.6-60.3157.500111.8L131 V132 Q138 A145 R148 A149 Q152L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.04Å; V132-E135 PolarHBondContact O-N 3.31Å; E135-Q138 WeakPolarHBondContact O-CB 3.44Å; E135-Q138 PolarHBondContact O-N 3.17Å; E135-A145 HydrophobicContact CB-CB 3.88Å; E135-R148 HydrophobicContact CG-CB 4.07Å; E135-R148 PolarHBondContact O-NH2 3.09Å; E135-R148 WeakPolarHBondContact OE2-CB 3.18Å; E135-R148 WeakPolarHBondContact OE2-CD 3.27Å; E135-R148 IonicContact OE2-CZ 3.35Å; E135-R148 IonicContact OE2-NE 2.74Å; E135-R148 PolarHBondContact OE2-NE 3.15Å; E135-A149 HydrophobicContact CG-CB 4.31Å; E135-Q152 PolarHBondContact OE1-NE2 3.39Å
136L98.2Very high98Very high25 Ų2531.6 Ų31.613%0.13117%0.171CC..Hα-helixtrans-71.9-31178.6-157121.5000112.5V132 N133 W134 Q138 G139 L142 A145V132-L136 WeakPolarHBondContact O-CB 3.46Å; V132-L136 PolarHBondContact O-N 3.03Å; N133-L136 PolarHBondContact O-N 2.88Å; W134-L136 VanDerWaalsContact C-N 3.27Å; W134-L136 PolarHBondContact O-N 3.32Å; L136-Q138 PolarHBondContact O-N 2.89Å; L136-G139 PolarHBondContact O-N 3.32Å; L136-L142 HydrophobicContact CD1-CB 4.16Å; L136-L142 HydrophobicContact CD1-CD1 3.83Å; L136-A145 HydrophobicContact CB-CB 4.04Å; L136-A145 HydrophobicContact CD1-CB 3.97Å; L136-A145 HydrophobicContact CG-CB 4.45Å
137K98Very high97.9Very high111 Ų11133.5 Ų33.548%0.48318%0.181SC..Hα-helixtrans-63.6-22.9171.4-79.2173176.4152.80113.2E92 Y117 N133 W134 G139E92-K137 IonicContact OE2-NZ 3.65Å; E92-K137 PolarHBondContact OE2-NZ 3.24Å; Y117-K137 PolarHBondContact OH-NZ 3.2Å; N133-K137 WeakPolarHBondContact O-CG 3.36Å; N133-K137 PolarHBondContact O-N 2.96Å; N133-K137 WeakPolarHBondContact OD1-CD 3.26Å; N133-K137 WeakPolarHBondContact OD1-CE 3.49Å; N133-K137 PolarHBondContact OD1-NZ 3.14Å; W134-K137 WeakPolarHBondContact O-CB 3.48Å; W134-K137 PolarHBondContact O-N 3.23Å; K137-G139 PolarHBondContact O-N 3.03Å
138Q96.2Very high97.9Very high119 Ų11937.7 Ų37.756%0.55620%0.197SC*.THydrogen-bonded Turntrans-75.5-6.5172.8-49.3-50.7-51.600112.8W134 E135 L136W134-Q138 PolarHBondContact O-N 3.1Å; W134-Q138 PolarHBondContact O-NE2 3.13Å; E135-Q138 WeakPolarHBondContact O-CB 3.44Å; E135-Q138 PolarHBondContact O-N 3.17Å; L136-Q138 PolarHBondContact O-N 2.89Å
139G96.1Very high97.8Very high36 Ų3637.7 Ų37.737%0.37120%0.197SC..SBendtrans97.5168.4-178.500000113.8L136 K137 R148L136-G139 PolarHBondContact O-N 3.32Å; K137-G139 PolarHBondContact O-N 3.03Å; G139-R148 PolarHBondContact O-NH2 3.14Å
140G97.1Very high97.8Very high54 Ų5438.8 Ų38.856%0.55720%0.203SC*.SBendtrans98.3-173.1-176.800000113.5E144G140-E144 WeakPolarHBondContact CA-OE2 3.4Å
141T97.5Very high97.7Very high67 Ų6743.2 Ų43.241%0.41123%0.232SC..  trans-84.1163.5178.6590000111.8R143 E144 A145T141-R143 PolarHBondContact O-N 3.3Å; T141-E144 PolarHBondContact N-OE2 3.32Å; T141-E144 PolarHBondContact O-N 3.02Å; T141-E144 VanDerWaalsContact O-N 3.12Å; T141-E144 VanDerWaalsContact OG1-CD 3.32Å; T141-E144 WeakPolarHBondContact OG1-CG 3.41Å; T141-E144 PolarHBondContact OG1-N 3.04Å; T141-E144 PolarHBondContact OG1-OE2 2.96Å; T141-E144 VanDerWaalsContact OG1-OE2 3.12Å; T141-A145 PolarHBondContact O-N 3.13Å
142L98.1Very high97.6Very high20 Ų2045.7 Ų45.711%0.10524%0.244CC..Hα-helixtrans-57.5-39.3173.9-176.959.2000111.9I94 V132 L136 E144 A145 V146 I161 D163 L171I94-L142 HydrophobicContact CD1-CD1 4.1Å; V132-L142 HydrophobicContact CG1-CD1 3.77Å; L136-L142 HydrophobicContact CD1-CB 4.16Å; L136-L142 HydrophobicContact CD1-CD1 3.83Å; L142-E144 VanDerWaalsContact C-N 3.34Å; L142-E144 PolarHBondContact O-N 3.31Å; L142-A145 PolarHBondContact O-N 3.06Å; L142-V146 HydrophobicContact CD1-CG2 4.26Å; L142-V146 HydrophobicContact CG-CG2 4.45Å; L142-V146 WeakPolarHBondContact O-CG2 3.28Å; L142-V146 PolarHBondContact O-N 2.86Å; L142-I161 HydrophobicContact CD1-CG2 4.18Å; L142-D163 HydrophobicContact CD2-CB 4.18Å; L142-L171 HydrophobicContact CB-CD2 4.25Å; L142-L171 HydrophobicContact CD2-CB 4.42Å; L142-L171 HydrophobicContact CD2-CD2 4.01Å; L142-L171 HydrophobicContact CD2-CG 4.42Å; L142-L171 HydrophobicContact CG-CB 4.44Å; L142-L171 HydrophobicContact CG-CD2 3.97Å; L142-L171 HydrophobicContact CG-CG 4.11Å
143R97.2Very high97.6Very high58 Ų5846.2 Ų46.222%0.21925%0.246CC..Hα-helixtrans-55.8-47.1174.1-178.6-171.763.383.98.3112.2T141 V146 L147 L171 F223T141-R143 PolarHBondContact O-N 3.3Å; R143-V146 PolarHBondContact O-N 3.34Å; R143-L147 HydrophobicContact CG-CD1 4.12Å; R143-L147 WeakPolarHBondContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CG 3.34Å; R143-L147 PolarHBondContact O-N 3.26Å; R143-L171 HydrophobicContact CB-CD1 4.23Å; R143-L171 HydrophobicContact CG-CD1 4.38Å; R143-F223 HydrophobicContact CG-CE2 4.34Å
144E97.1Very high97.5Very high69 Ų6954.4 Ų54.432%0.32228%0.277SS..Hα-helixtrans-68.4-38179.8-69.6163160.900112.1G140 T141 L142 L147 R148G140-E144 WeakPolarHBondContact CA-OE2 3.4Å; T141-E144 PolarHBondContact N-OE2 3.32Å; T141-E144 PolarHBondContact O-N 3.02Å; T141-E144 VanDerWaalsContact O-N 3.12Å; T141-E144 VanDerWaalsContact OG1-CD 3.32Å; T141-E144 WeakPolarHBondContact OG1-CG 3.41Å; T141-E144 PolarHBondContact OG1-N 3.04Å; T141-E144 PolarHBondContact OG1-OE2 2.96Å; T141-E144 VanDerWaalsContact OG1-OE2 3.12Å; L142-E144 VanDerWaalsContact C-N 3.34Å; L142-E144 PolarHBondContact O-N 3.31Å; E144-L147 PolarHBondContact O-N 3.32Å; E144-R148 WeakPolarHBondContact O-CG 3.44Å; E144-R148 PolarHBondContact O-N 2.95Å; E144-R148 VanDerWaalsContact O-N 3.12Å
145A98.3Very high97.2Very high0 Ų052.4 Ų52.40%028%0.277CS..Hα-helixtrans-62.9-44.7174.800000111.5E135 L136 T141 L142 R148 A149E135-A145 HydrophobicContact CB-CB 3.88Å; L136-A145 HydrophobicContact CB-CB 4.04Å; L136-A145 HydrophobicContact CD1-CB 3.97Å; L136-A145 HydrophobicContact CG-CB 4.45Å; T141-A145 PolarHBondContact O-N 3.13Å; L142-A145 PolarHBondContact O-N 3.06Å; A145-R148 PolarHBondContact O-N 2.96Å; A145-A149 WeakPolarHBondContact O-CB 3.41Å; A145-A149 PolarHBondContact O-N 3.14Å
146V97.8Very high96.8Very high0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-63.4-45.2176173.10000110.9V132 L142 R143 R148 A149 I150 I161 L171 I212V132-V146 HydrophobicContact CG1-CG2 4.4Å; V132-V146 HydrophobicContact CG2-CG2 4.47Å; L142-V146 HydrophobicContact CD1-CG2 4.26Å; L142-V146 HydrophobicContact CG-CG2 4.45Å; L142-V146 WeakPolarHBondContact O-CG2 3.28Å; L142-V146 PolarHBondContact O-N 2.86Å; R143-V146 PolarHBondContact O-N 3.34Å; V146-R148 PolarHBondContact O-N 3.11Å; V146-A149 PolarHBondContact O-N 3.35Å; V146-I150 HydrophobicContact CG1-CD1 4.32Å; V146-I150 HydrophobicContact CG1-CG1 3.77Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.38Å; V146-I150 PolarHBondContact O-N 3.1Å; V146-I161 HydrophobicContact CG1-CD1 4.25Å; V146-I161 HydrophobicContact CG2-CD1 3.67Å; V146-L171 HydrophobicContact CG2-CB 4.07Å; V146-L171 HydrophobicContact CG2-CG 4.12Å; V146-I212 HydrophobicContact CG1-CG2 4.26Å
147L96.3Very high96.6Very high42 Ų4252.3 Ų52.322%0.2228%0.28CS..Hα-helixtrans-58.5-29.2176.3-79.9165.5000113.4R143 E144 P151 I212R143-L147 HydrophobicContact CG-CD1 4.12Å; R143-L147 WeakPolarHBondContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CG 3.34Å; R143-L147 PolarHBondContact O-N 3.26Å; E144-L147 PolarHBondContact O-N 3.32Å; L147-P151 WeakPolarHBondContact O-CD 3.23Å; L147-P151 WeakPolarHBondContact O-CG 3.43Å; L147-I212 HydrophobicContact CD2-CD1 3.45Å; L147-I212 VanDerWaalsContact CD2-CD1 3.45Å; L147-I212 HydrophobicContact CG-CD1 4.15Å
148R97.4Very high96.5Very high89 Ų8947 Ų4734%0.33626%0.257SS..Hα-helixtrans-82.6-33.9173.1-69.2-170.3-61.7-92.98.2113.3E135 G139 E144 A145 V146 Q152E135-R148 HydrophobicContact CG-CB 4.07Å; E135-R148 PolarHBondContact O-NH2 3.09Å; E135-R148 WeakPolarHBondContact OE2-CB 3.18Å; E135-R148 WeakPolarHBondContact OE2-CD 3.27Å; E135-R148 IonicContact OE2-CZ 3.35Å; E135-R148 IonicContact OE2-NE 2.74Å; E135-R148 PolarHBondContact OE2-NE 3.15Å; G139-R148 PolarHBondContact O-NH2 3.14Å; E144-R148 WeakPolarHBondContact O-CG 3.44Å; E144-R148 PolarHBondContact O-N 2.95Å; E144-R148 VanDerWaalsContact O-N 3.12Å; A145-R148 PolarHBondContact O-N 2.96Å; V146-R148 PolarHBondContact O-N 3.11Å; R148-Q152 PolarHBondContact O-NE2 2.9Å
149A98.1Very high96.6Very high2 Ų241.4 Ų41.42%0.01723%0.23CC..Hα-helixtrans-72.2-44.2179.900000112.3L131 V132 E135 A145 V146 Q152L131-A149 HydrophobicContact CD2-CB 3.88Å; L131-A149 HydrophobicContact CG-CB 3.89Å; V132-A149 HydrophobicContact CG2-CB 4.04Å; E135-A149 HydrophobicContact CG-CB 4.31Å; A145-A149 WeakPolarHBondContact O-CB 3.41Å; A145-A149 PolarHBondContact O-N 3.14Å; V146-A149 PolarHBondContact O-N 3.35Å; A149-Q152 WeakPolarHBondContact O-CB 3.24Å; A149-Q152 PolarHBondContact O-N 3.45Å
150I97.5Very high96.8Very high23 Ų2339.7 Ų39.712%0.11821%0.213CC..G310 helixtrans-54.2-46.5-174.6-72-53.1000113.4V146 Q152 L153 Y157 A173 I212V146-I150 HydrophobicContact CG1-CD1 4.32Å; V146-I150 HydrophobicContact CG1-CG1 3.77Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.38Å; V146-I150 PolarHBondContact O-N 3.1Å; I150-Q152 PolarHBondContact O-N 3.34Å; I150-Q152 VanDerWaalsContact O-N 3.09Å; I150-L153 HydrophobicContact CD1-CD1 4.03Å; I150-L153 PolarHBondContact O-N 3.01Å; I150-Y157 HydrophobicContact CD1-CD2 4.41Å; I150-Y157 HydrophobicContact CD1-CE2 3.78Å; I150-Y157 HydrophobicContact CG2-CE2 4.42Å; I150-Y157 WeakPolarHBondContact CG2-OH 3.35Å; I150-A173 HydrophobicContact CD1-CB 3.61Å; I150-A173 HydrophobicContact CG1-CB 4.07Å; I150-I212 HydrophobicContact CB-CD1 4.36Å; I150-I212 HydrophobicContact CG1-CD1 4.05Å; I150-I212 HydrophobicContact CG2-CD1 4.38Å
151P96.7Very high96.8Very high104 Ų10437.1 Ų37.168%0.67519%0.186SC*.G310 helixtrans-61.1-18.2176.7-26.335.6000115.3L147L147-P151 WeakPolarHBondContact O-CD 3.23Å; L147-P151 WeakPolarHBondContact O-CG 3.43Å
152Q98.1Very high96.9Very high53 Ų5334 Ų3425%0.24817%0.167CC..G310 helixtrans-86.9-14.7178.6-57.1174.665.600111.9N104 L108 L131 E135 R148 A149 I150N104-Q152 PolarHBondContact ND2-O 3.47Å; L108-Q152 HydrophobicContact CD2-CB 4.47Å; L131-Q152 HydrophobicContact CD2-CB 4.02Å; E135-Q152 PolarHBondContact OE1-NE2 3.39Å; R148-Q152 PolarHBondContact O-NE2 2.9Å; A149-Q152 WeakPolarHBondContact O-CB 3.24Å; A149-Q152 PolarHBondContact O-N 3.45Å; I150-Q152 PolarHBondContact O-N 3.34Å; I150-Q152 VanDerWaalsContact O-N 3.09Å
153L98.1Very high96.9Very high12 Ų1233.2 Ų33.26%0.06316%0.163CC..  trans-87.9138.3178-55.9-178.5000110.9I102 L108 I128 L131 I150 Y157I102-L153 HydrophobicContact CD1-CB 4.37Å; I102-L153 HydrophobicContact CD1-CD1 4.25Å; I102-L153 HydrophobicContact CD1-CD2 4.49Å; I102-L153 HydrophobicContact CG2-CD2 4.1Å; L108-L153 HydrophobicContact CD1-CD2 3.82Å; I128-L153 HydrophobicContact CG1-CD1 4.15Å; I128-L153 HydrophobicContact CG1-CD2 4.39Å; L131-L153 HydrophobicContact CD2-CD2 3.83Å; L131-L153 HydrophobicContact CD2-CG 4.42Å; I150-L153 HydrophobicContact CD1-CD1 4.03Å; I150-L153 PolarHBondContact O-N 3.01Å; L153-Y157 HydrophobicContact CB-CD1 4.3Å; L153-Y157 HydrophobicContact CB-CE1 3.8Å; L153-Y157 HydrophobicContact CD1-CE1 4.48Å
154R96.3Very high97Very high173 Ų17331 Ų3165%0.65316%0.157SC*.  trans-121.4149.7171.4-64.8-174.6177.6-175.9-0.6110.6I102 E103 N104I102-R154 CarbonylContact C-O 3.54Å; I102-R154 WeakPolarHBondContact CA-O 3.49Å; E103-R154 PolarHBondContact N-O 2.93Å; N104-R154 HydrophobicContact CB-CB 4.12Å; N104-R154 HydrophobicContact CB-CG 4.38Å; N104-R154 PolarHBondContact OD1-N 2.68Å
155G92.6Very high97Very high24 Ų2433.5 Ų33.525%0.24716%0.163CC..EExtended strand (participates in β ladder)trans102.1-164.2-174.600000112.4E103E103-G155 VanDerWaalsContact CD-CA 3.46Å; E103-G155 WeakPolarHBondContact OE1-CA 3.33Å
156A89.7Confident96.9Very high25 Ų2539 Ų3921%0.20719%0.189CC..EExtended strand (participates in β ladder)trans-99.5134.1178.800000110.3G100 I101 S175G100-A156 CarbonylContact C-O 3.46Å; G100-A156 WeakPolarHBondContact CA-O 3.48Å; I101-A156 CarbonylContact C-O 3.41Å; I101-A156 PolarHBondContact N-O 3.43Å; I101-A156 PolarHBondContact O-N 3.23Å; I101-A156 VanDerWaalsContact O-O 3.13Å; A156-S175 CarbonylContact C-O 3.58Å; A156-S175 WeakPolarHBondContact CA-O 3.45Å
157Y94.5Very high96.9Very high18 Ų1839.8 Ų39.87%0.07119%0.194CC..EExtended strand (participates in β ladder)trans-149133.4175.348.6-93.6000111.6H98 N99 I102 I150 L153 T159 S175H98-Y157 VanDerWaalsContact NE2-CB 3.27Å; H98-Y157 WeakPolarHBondContact NE2-CB 3.49Å; N99-Y157 CarbonylContact O-C 3.59Å; N99-Y157 WeakPolarHBondContact O-CA 3.32Å; I102-Y157 HydrophobicContact CD1-CD1 3.77Å; I102-Y157 HydrophobicContact CD1-CG 4.18Å; I150-Y157 HydrophobicContact CD1-CD2 4.41Å; I150-Y157 HydrophobicContact CD1-CE2 3.78Å; I150-Y157 HydrophobicContact CG2-CE2 4.42Å; I150-Y157 WeakPolarHBondContact CG2-OH 3.35Å; L153-Y157 HydrophobicContact CB-CD1 4.3Å; L153-Y157 HydrophobicContact CB-CE1 3.8Å; L153-Y157 HydrophobicContact CD1-CE1 4.48Å; Y157-T159 HydrophobicContact CD2-CG2 4.41Å; Y157-S175 CarbonylContact C-O 3.31Å; Y157-S175 VanDerWaalsContact CZ-CB 3.48Å; Y157-S175 PolarHBondContact N-O 3.33Å; Y157-S175 CarbonylContact O-C 3.54Å; Y157-S175 PolarHBondContact O-N 3.38Å
158G96.2Very high97Very high0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-112.9112.6157.100000105I4 H98 N99I4-G158 WeakPolarHBondContact CD1-O 3.35Å; H98-G158 WeakPolarHBondContact CA-O 3.36Å; N99-G158 PolarHBondContact N-O 2.96Å; N99-G158 PolarHBondContact O-N 3.39Å
159T98.6Very high97Very high0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-128.5143.2-173.9-174.20000111.3V96 V97 Y157 I161 A172 A173V96-T159 WeakPolarHBondContact CG1-OG1 3.48Å; V97-T159 VanDerWaalsContact O-CA 3.28Å; V97-T159 WeakPolarHBondContact O-CA 3.22Å; V97-T159 PolarHBondContact O-OG1 3.2Å; V97-T159 VanDerWaalsContact O-OG1 3.08Å; Y157-T159 HydrophobicContact CD2-CG2 4.41Å; T159-I161 HydrophobicContact CG2-CD1 4.15Å; T159-I161 HydrophobicContact CG2-CG1 4.4Å; T159-A172 WeakPolarHBondContact O-CA 3.42Å; T159-A173 HydrophobicContact CG2-CB 3.91Å; T159-A173 PolarHBondContact N-O 3.44Å; T159-A173 PolarHBondContact O-N 3.25Å
160V98.9Very high97.1Very high0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-122.7131170.4-171.80000108.4I4 I70 V96 V97 L170 L171 A172 L179 I190I4-V160 HydrophobicContact CG2-CB 4.3Å; I4-V160 HydrophobicContact CG2-CG2 3.68Å; I70-V160 HydrophobicContact CG2-CB 4.23Å; I70-V160 HydrophobicContact CG2-CG1 3.62Å; V96-V160 WeakPolarHBondContact CA-O 3.45Å; V97-V160 HydrophobicContact CG2-CB 3.82Å; V97-V160 HydrophobicContact CG2-CG2 4.48Å; V97-V160 PolarHBondContact N-O 2.67Å; V97-V160 PolarHBondContact O-N 2.94Å; V160-L170 HydrophobicContact CG1-CB 4.47Å; V160-L170 HydrophobicContact CG1-CD2 4.46Å; V160-L171 CarbonylContact C-O 3.58Å; V160-L171 WeakPolarHBondContact CA-O 3.35Å; V160-A172 HydrophobicContact CG2-CB 4.45Å; V160-L179 HydrophobicContact CG2-CD2 4.28Å; V160-I190 HydrophobicContact CG1-CG2 4.1Å; V160-I190 HydrophobicContact CG2-CD1 4.03Å; V160-I190 HydrophobicContact CG2-CG1 4.42Å; V160-I190 HydrophobicContact CG2-CG2 3.89Å
161I98.9Very high97.1Very high1 Ų139.7 Ų39.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-127.3132.6-167.7-55.4168000107.7I94 V95 V96 I128 V132 L142 V146 T159 L171I94-I161 HydrophobicContact CG2-CG2 4.2Å; V95-I161 WeakPolarHBondContact O-CA 3.36Å; V96-I161 HydrophobicContact CG1-CG1 4.43Å; V96-I161 HydrophobicContact CG2-CG1 4.19Å; V96-I161 HydrophobicContact CG2-CG2 4.23Å; I128-I161 HydrophobicContact CG2-CD1 4.45Å; V132-I161 HydrophobicContact CG1-CG2 4.16Å; V132-I161 HydrophobicContact CG2-CD1 4.08Å; L142-I161 HydrophobicContact CD1-CG2 4.18Å; V146-I161 HydrophobicContact CG1-CD1 4.25Å; V146-I161 HydrophobicContact CG2-CD1 3.67Å; T159-I161 HydrophobicContact CG2-CD1 4.15Å; T159-I161 HydrophobicContact CG2-CG1 4.4Å; I161-L171 HydrophobicContact CB-CB 4.33Å; I161-L171 PolarHBondContact N-O 3.06Å; I161-L171 PolarHBondContact O-N 2.68Å
162M98.4Very high97.2Very high2 Ų234.7 Ų34.71%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-129.2153.617192-173.2171.700111.3A35 V37 M43 I70 I94 V95 L170A35-M162 HydrophobicContact CB-CE 3.87Å; V37-M162 HydrophobicContact CG2-CE 3.3Å; V37-M162 HydrophobicContact CG2-SD 3.69Å; M43-M162 HydrophobicContact CG-CE 4.01Å; I70-M162 HydrophobicContact CG1-SD 4.37Å; I94-M162 WeakPolarHBondContact CA-O 3.41Å; V95-M162 HydrophobicContact CB-CE 3.68Å; V95-M162 HydrophobicContact CB-CG 3.92Å; V95-M162 HydrophobicContact CG1-CE 4.03Å; V95-M162 HydrophobicContact CG2-CE 3.46Å; V95-M162 VanDerWaalsContact CG2-CE 3.46Å; V95-M162 HydrophobicContact CG2-CG 4.15Å; V95-M162 PolarHBondContact N-O 3.05Å; V95-M162 PolarHBondContact O-N 3.49Å; M162-L170 HydrophobicContact CB-CD2 3.46Å; M162-L170 VanDerWaalsContact CB-CD2 3.46Å
163D98.6Very high97.2Very high2 Ų232.2 Ų32.21%0.01116%0.158CC..EExtended strand (participates in β ladder)trans-109.4116166.3-177-19.4000108.3H93 I94 L142 R165 H166H93-D163 IonicContact CD2-OD1 3.83Å; H93-D163 PolarHBondContact CD2-OD1 3.39Å; H93-D163 IonicContact CD2-OD2 3.13Å; H93-D163 IonicContact CG-OD1 3.61Å; H93-D163 CarbonylContact O-C 3.39Å; H93-D163 WeakPolarHBondContact O-CA 3.5Å; I94-D163 HydrophobicContact CD1-CB 4.12Å; L142-D163 HydrophobicContact CD2-CB 4.18Å; D163-R165 PolarHBondContact O-N 2.97Å; D163-R165 WeakPolarHBondContact OD1-CB 3.2Å; D163-R165 IonicContact OD1-CZ 3.53Å; D163-R165 PolarHBondContact OD1-N 3.31Å; D163-R165 IonicContact OD1-NE 3.7Å; D163-R165 PolarHBondContact OD1-NE 2.96Å; D163-R165 IonicContact OD1-NH2 2.86Å; D163-R165 IonicContact OD2-CZ 3.68Å; D163-R165 IonicContact OD2-NE 3.71Å; D163-R165 PolarHBondContact OD2-NE 3.43Å; D163-R165 IonicContact OD2-NH2 2.8Å; D163-R165 PolarHBondContact OD2-NH2 2.95Å; D163-H166 CarbonylContact O-C 3.51Å; D163-H166 VanDerWaalsContact O-C 3.31Å; D163-H166 PolarHBondContact O-N 2.78Å; D163-H166 IonicContact OD2-CD2 3.79Å
164S98.1Very high97.1Very high13 Ų1332 Ų329%0.09116%0.156CC..THydrogen-bonded Turntrans-63-16.4-176.368.30000114V37 G41 H93 H166V37-S164 WeakPolarHBondContact CG1-O 3.45Å; G41-S164 VanDerWaalsContact CA-O 3.28Å; G41-S164 WeakPolarHBondContact CA-O 3.49Å; H93-S164 PolarHBondContact O-N 3.47Å; S164-H166 VanDerWaalsContact C-N 3.32Å
165R97.8Very high97Very high121 Ų12124.7 Ų24.746%0.45713%0.131SC..THydrogen-bonded Turntrans-81.5-16.8176-55.4169.2-60.31738.4112.5H93 D163H93-R165 HydrophobicContact CB-CG 3.91Å; H93-R165 PolarHBondContact CD2-NE 3.09Å; H93-R165 VanDerWaalsContact CD2-NE 3.29Å; H93-R165 PolarHBondContact CD2-NH2 3.16Å; H93-R165 VanDerWaalsContact CG-NE 3.31Å; H93-R165 VanDerWaalsContact NE2-CZ 3.31Å; H93-R165 PolarHBondContact NE2-NH2 2.77Å; D163-R165 PolarHBondContact O-N 2.97Å; D163-R165 WeakPolarHBondContact OD1-CB 3.2Å; D163-R165 IonicContact OD1-CZ 3.53Å; D163-R165 PolarHBondContact OD1-N 3.31Å; D163-R165 IonicContact OD1-NE 3.7Å; D163-R165 PolarHBondContact OD1-NE 2.96Å; D163-R165 IonicContact OD1-NH2 2.86Å; D163-R165 IonicContact OD2-CZ 3.68Å; D163-R165 IonicContact OD2-NE 3.71Å; D163-R165 PolarHBondContact OD2-NE 3.43Å; D163-R165 IonicContact OD2-NH2 2.8Å; D163-R165 PolarHBondContact OD2-NH2 2.95Å
166H97.4Very high96.8Very high116 Ų11624.3 Ų24.354%0.53713%0.128SC..  trans-132.168.7-177.2-60.5-55.6000109.8D163 S164 D168 T169D163-H166 CarbonylContact O-C 3.51Å; D163-H166 VanDerWaalsContact O-C 3.31Å; D163-H166 PolarHBondContact O-N 2.78Å; D163-H166 IonicContact OD2-CD2 3.79Å; S164-H166 VanDerWaalsContact C-N 3.32Å; H166-D168 PolarHBondContact O-N 2.98Å; H166-T169 PolarHBondContact O-N 3.46Å
167P97.3Very high96.8Very high16 Ų1623.3 Ų23.310%0.10412%0.119CC..THydrogen-bonded Turntrans-64.7-11.1-174.127.6-35.8000113.6I8 V37 T68 T169I8-P167 WeakPolarHBondContact CD1-O 3.36Å; V37-P167 HydrophobicContact CB-CB 4.16Å; V37-P167 HydrophobicContact CG1-CB 3.89Å; V37-P167 HydrophobicContact CG1-CG 4.44Å; T68-P167 WeakPolarHBondContact CB-O 3.42Å; T68-P167 WeakPolarHBondContact CG2-O 3.29Å; T68-P167 PolarHBondContact OG1-O 3.1Å; P167-T169 PolarHBondContact O-N 2.92Å
168D97.5Very high96.7Very high118 Ų11823 Ų2363%0.63112%0.119SC*.THydrogen-bonded Turntrans-73.8-0.6-178.8-63.5-47000114.4I8 H166I8-D168 VanDerWaalsContact CD1-O 3.26Å; I8-D168 WeakPolarHBondContact CD1-O 3.47Å; H166-D168 PolarHBondContact O-N 2.98Å
169T98.3Very high96.6Very high34 Ų3423.1 Ų23.121%0.20912%0.12CC..  trans-144.7133.2-174.3-560000112.8H166 P167 L171 E214H166-T169 PolarHBondContact O-N 3.46Å; P167-T169 PolarHBondContact O-N 2.92Å; T169-L171 HydrophobicContact CG2-CD2 3.68Å; T169-E214 HydrophobicContact CG2-CG 3.8Å
170L98.7Very high96.5Very high1 Ų123.2 Ų23.21%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-110.7142.4163.8-68.6177.7000109.5I8 T68 I70 V160 M162 I215I8-L170 HydrophobicContact CB-CD1 4.35Å; T68-L170 HydrophobicContact CG2-CD2 3.9Å; T68-L170 HydrophobicContact CG2-CG 4.15Å; I70-L170 HydrophobicContact CG2-CD1 4.45Å; I70-L170 HydrophobicContact CG2-CD2 3.92Å; V160-L170 HydrophobicContact CG1-CB 4.47Å; V160-L170 HydrophobicContact CG1-CD2 4.46Å; M162-L170 HydrophobicContact CB-CD2 3.46Å; M162-L170 VanDerWaalsContact CB-CD2 3.46Å; L170-I215 HydrophobicContact CB-CB 4.35Å; L170-I215 PolarHBondContact N-O 3.5Å; L170-I215 PolarHBondContact O-N 3.19Å
171L98.7Very high96.5Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-109.3135168.7-95.9-67.5000109.6L142 R143 V146 V160 I161 T169 I212 A213 E214L142-L171 HydrophobicContact CB-CD2 4.25Å; L142-L171 HydrophobicContact CD2-CB 4.42Å; L142-L171 HydrophobicContact CD2-CD2 4.01Å; L142-L171 HydrophobicContact CD2-CG 4.42Å; L142-L171 HydrophobicContact CG-CB 4.44Å; L142-L171 HydrophobicContact CG-CD2 3.97Å; L142-L171 HydrophobicContact CG-CG 4.11Å; R143-L171 HydrophobicContact CB-CD1 4.23Å; R143-L171 HydrophobicContact CG-CD1 4.38Å; V146-L171 HydrophobicContact CG2-CB 4.07Å; V146-L171 HydrophobicContact CG2-CG 4.12Å; V160-L171 CarbonylContact C-O 3.58Å; V160-L171 WeakPolarHBondContact CA-O 3.35Å; I161-L171 HydrophobicContact CB-CB 4.33Å; I161-L171 PolarHBondContact N-O 3.06Å; I161-L171 PolarHBondContact O-N 2.68Å; T169-L171 HydrophobicContact CG2-CD2 3.68Å; L171-I212 HydrophobicContact CD1-CG2 3.86Å; L171-A213 WeakPolarHBondContact CA-O 3.46Å; L171-E214 HydrophobicContact CD1-CB 4.29Å; L171-E214 HydrophobicContact CD2-CB 4.45Å; L171-E214 HydrophobicContact CD2-CG 4.22Å
172A98.7Very high96.5Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-122.6143.4174.500000110.2T159 V160 L179 I190 L207 I212 A213 I215T159-A172 WeakPolarHBondContact O-CA 3.42Å; V160-A172 HydrophobicContact CG2-CB 4.45Å; A172-L179 HydrophobicContact CB-CD1 4.33Å; A172-I190 HydrophobicContact CB-CD1 3.17Å; A172-L207 HydrophobicContact CB-CD1 4.29Å; A172-I212 CarbonylContact O-C 3.6Å; A172-I212 VanDerWaalsContact O-CA 3.25Å; A172-I212 WeakPolarHBondContact O-CA 3.45Å; A172-A213 HydrophobicContact CB-CB 4.38Å; A172-A213 PolarHBondContact N-O 3.34Å; A172-A213 PolarHBondContact O-N 3.13Å; A172-I215 HydrophobicContact CB-CD1 4.2Å
173A98.4Very high96.5Very high1 Ų124.1 Ų24.11%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-138.9132.2174.700000110.5I150 T159 L179 I212I150-A173 HydrophobicContact CD1-CB 3.61Å; I150-A173 HydrophobicContact CG1-CB 4.07Å; T159-A173 HydrophobicContact CG2-CB 3.91Å; T159-A173 PolarHBondContact N-O 3.44Å; T159-A173 PolarHBondContact O-N 3.25Å; A173-L179 WeakPolarHBondContact O-CD1 3.5Å; A173-I212 HydrophobicContact CB-CG1 4.02Å
174R96.5Very high96.4Very high7 Ų724.9 Ų24.93%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-112.7125.4178.7172.1172.8-171.5-138.1-1.7110.6S177 L179 L207 E208 G210 D211 E385R174-S177 WeakPolarHBondContact CG-O 3.45Å; R174-L179 HydrophobicContact CB-CD1 4.38Å; R174-L207 HydrophobicContact CB-CB 4.18Å; R174-L207 HydrophobicContact CB-CD1 4.49Å; R174-L207 WeakPolarHBondContact CD-O 3.47Å; R174-L207 PolarHBondContact NH1-O 3.01Å; R174-E208 WeakPolarHBondContact CD-O 3.3Å; R174-G210 CarbonylContact O-C 3.57Å; R174-G210 WeakPolarHBondContact O-CA 3.4Å; R174-G210 PolarHBondContact O-N 3.5Å; R174-D211 PolarHBondContact N-O 3.04Å; R174-E385 IonicContact NH2-OE1 3.46Å; R174-E385 PolarHBondContact NH2-OE1 3.28Å
175S93.3Very high96.3Very high19 Ų1933.2 Ų33.213%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-143119.2155.8-165.40000109.9A156 Y157 S177 E209A156-S175 CarbonylContact C-O 3.58Å; A156-S175 WeakPolarHBondContact CA-O 3.45Å; Y157-S175 CarbonylContact C-O 3.31Å; Y157-S175 VanDerWaalsContact CZ-CB 3.48Å; Y157-S175 PolarHBondContact N-O 3.33Å; Y157-S175 CarbonylContact O-C 3.54Å; Y157-S175 PolarHBondContact O-N 3.38Å; S175-S177 VanDerWaalsContact C-N 3.33Å; S175-S177 PolarHBondContact O-N 3.44Å; S175-E209 VanDerWaalsContact C-OE1 3.31Å; S175-E209 WeakPolarHBondContact CA-OE1 3.29Å; S175-E209 WeakPolarHBondContact CB-OE1 3.4Å; S175-E209 PolarHBondContact OG-OE1 2.89Å
176G87.8Confident96.3Very high17 Ų1729.8 Ų29.818%0.17518%0.176CC..SBendtrans76.4-77.8-172.600000112.5E209G176-E209 WeakPolarHBondContact CA-OE2 3.43Å; G176-E209 PolarHBondContact N-OE1 2.93Å; G176-E209 PolarHBondContact N-OE2 3Å
177S90.7Very high96.3Very high4 Ų425.5 Ų25.53%0.02816%0.156CC..SBendtrans-66.2138.3-173.1-77.60000112.9N99 R174 S175N99-S177 VanDerWaalsContact O-CB 3.25Å; N99-S177 WeakPolarHBondContact O-CB 3.35Å; N99-S177 PolarHBondContact O-OG 3.13Å; N99-S177 VanDerWaalsContact O-OG 3.06Å; R174-S177 WeakPolarHBondContact CG-O 3.45Å; S175-S177 VanDerWaalsContact C-N 3.33Å; S175-S177 PolarHBondContact O-N 3.44Å
178P91.1Very high96.4Very high10 Ų1025.2 Ų25.27%0.06515%0.153CC..  trans-70.1145-173.629.3-36.7000112.8S192P178-S192 WeakPolarHBondContact O-CA 3.36Å
179L95.6Very high96.5Very high3 Ų319.7 Ų19.72%0.01612%0.124CC..  trans-140.5134.8167.4-78173.6000109.6V160 A172 A173 R174 I190 A191 L207V160-L179 HydrophobicContact CG2-CD2 4.28Å; A172-L179 HydrophobicContact CB-CD1 4.33Å; A173-L179 WeakPolarHBondContact O-CD1 3.5Å; R174-L179 HydrophobicContact CB-CD1 4.38Å; L179-I190 HydrophobicContact CB-CD1 4.33Å; L179-I190 HydrophobicContact CD1-CD1 4.27Å; L179-I190 HydrophobicContact CD2-CD1 4.04Å; L179-I190 HydrophobicContact CD2-CG1 4.09Å; L179-I190 HydrophobicContact CG-CD1 4.46Å; L179-A191 WeakPolarHBondContact CA-O 3.28Å; L179-L207 HydrophobicContact CB-CD1 3.97Å; L179-L207 HydrophobicContact CB-CG 4.46Å; L179-L207 HydrophobicContact CD1-CD1 4.34Å; L179-L207 PolarHBondContact O-N 3.17Å
180V96.4Very high96.5Very high3 Ų318.1 Ų18.12%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-129.4131.9177.361.40000109.7I190 A191 Q194 F204 I205 F206V180-I190 CarbonylContact O-C 3.58Å; V180-I190 WeakPolarHBondContact O-CA 3.49Å; V180-I190 WeakPolarHBondContact O-CG1 3.44Å; V180-A191 WeakPolarHBondContact CG1-O 3.44Å; V180-A191 PolarHBondContact N-O 3.25Å; V180-A191 PolarHBondContact O-N 2.95Å; V180-Q194 HydrophobicContact CG1-CB 4.28Å; V180-F204 HydrophobicContact CG2-CB 3.74Å; V180-F204 HydrophobicContact CG2-CD1 3.83Å; V180-F204 HydrophobicContact CG2-CG 4.07Å; V180-I205 WeakPolarHBondContact CA-O 3.32Å; V180-F206 HydrophobicContact CB-CD1 3.95Å; V180-F206 HydrophobicContact CB-CE1 4.08Å; V180-F206 HydrophobicContact CG2-CD1 3.8Å; V180-F206 HydrophobicContact CG2-CE1 3.77Å; V180-F206 HydrophobicContact CG2-CG 4.36Å; V180-F206 HydrophobicContact CG2-CZ 4.3Å
181I98.7Very high96.4Very high0 Ų018 Ų180%011%0.114CC..EExtended strand (participates in β ladder)trans-92.8128.8177.4-62.8177.2000108.3L183 F189 I190 F204 I205 L207 A213 I215 V220I181-L183 HydrophobicContact CG2-CD2 4.05Å; I181-F189 CarbonylContact C-O 3.52Å; I181-F189 WeakPolarHBondContact CA-O 3.11Å; I181-F189 WeakPolarHBondContact CG2-O 3.25Å; I181-I190 HydrophobicContact CG1-CD1 4.19Å; I181-I190 HydrophobicContact CG1-CG1 4.33Å; I181-F204 CarbonylContact O-C 3.55Å; I181-F204 VanDerWaalsContact O-CA 3.25Å; I181-F204 WeakPolarHBondContact O-CA 3.49Å; I181-I205 HydrophobicContact CB-CB 4.27Å; I181-I205 PolarHBondContact N-O 3.1Å; I181-I205 PolarHBondContact O-N 3.22Å; I181-L207 HydrophobicContact CD1-CD2 3.72Å; I181-L207 HydrophobicContact CD1-CG 4.29Å; I181-L207 HydrophobicContact CG1-CD2 4.34Å; I181-L207 HydrophobicContact CG1-CG 4.43Å; I181-A213 HydrophobicContact CD1-CB 3.69Å; I181-I215 HydrophobicContact CD1-CD1 3.74Å; I181-I215 HydrophobicContact CD1-CG1 4.1Å; I181-I215 HydrophobicContact CG1-CD1 3.9Å; I181-V220 HydrophobicContact CD1-CG1 3.62Å; I181-V220 HydrophobicContact CG2-CG1 4.31Å; I181-V220 HydrophobicContact CG2-CG2 4.06Å
182G98.5Very high96.1Very high0 Ų018.2 Ų18.20%012%0.115CC..EExtended strand (participates in β ladder)trans-98.5126.4171.400000111.1F189 R203G182-F189 PolarHBondContact N-O 3.03Å; G182-F189 PolarHBondContact O-N 3.5Å; G182-R203 WeakPolarHBondContact CA-O 3.35Å
183L98.6Very high95.7Very high22 Ų2218.9 Ų18.912%0.11512%0.118CC..EExtended strand (participates in β ladder)trans-94.1110.6-179.2-56.9178.5000110.5I181 T201 R203 I205 V220 D234I181-L183 HydrophobicContact CG2-CD2 4.05Å; L183-T201 WeakPolarHBondContact O-CB 3.44Å; L183-T201 PolarHBondContact O-OG1 3.01Å; L183-R203 HydrophobicContact CB-CB 3.98Å; L183-R203 HydrophobicContact CD1-CB 4.46Å; L183-R203 PolarHBondContact N-O 2.61Å; L183-I205 HydrophobicContact CD1-CD1 4Å; L183-I205 HydrophobicContact CD1-CG1 4.22Å; L183-I205 HydrophobicContact CD2-CD1 4.14Å; L183-I205 HydrophobicContact CG-CD1 4.39Å; L183-V220 HydrophobicContact CD2-CG2 3.8Å; L183-D234 HydrophobicContact CD1-CB 3.86Å
184G97Very high95.3Very high18 Ų1819.2 Ų19.219%0.18612%0.12CC..  trans-93.4-173.2174.500000112.9E187G184-E187 CarbonylContact C-O 3.55Å; G184-E187 VanDerWaalsContact C-O 3.29Å; G184-E187 WeakPolarHBondContact CA-O 3.24Å; G184-E187 PolarHBondContact N-O 3.04Å
185M96Very high94.7Very high188 Ų18820.4 Ų20.493%0.92613%0.127SC*.SBendtrans-97.596.1173.7-69.4-169.670.200110.4E187M185-E187 PolarHBondContact O-N 2.87Å
186G96.9Very high94.7Very high49 Ų4919.6 Ų19.651%0.50512%0.121SC..SBendtrans69.524.8-17500000113R217G186-R217 CarbonylContact C-O 3.54Å; G186-R217 VanDerWaalsContact O-CD 3.31Å; G186-R217 WeakPolarHBondContact O-CD 3.48Å; G186-R217 WeakPolarHBondContact O-CG 3.43Å
187E98.3Very high95.1Very high26 Ų2618.8 Ų18.812%0.12111%0.113CC..  trans-153153.2172.654.7-174.1-167.900107.8I8 A9 R11 G184 M185 F189 R217I8-E187 VanDerWaalsContact O-CA 3.28Å; I8-E187 WeakPolarHBondContact O-CA 3.49Å; I8-E187 WeakPolarHBondContact O-CB 3.19Å; A9-E187 HydrophobicContact CB-CB 3.67Å; A9-E187 WeakPolarHBondContact CB-OE2 3.43Å; R11-E187 IonicContact CZ-OE1 3.7Å; R11-E187 IonicContact CZ-OE2 2.6Å; R11-E187 IonicContact NE-OE1 2.8Å; R11-E187 IonicContact NE-OE2 3.51Å; R11-E187 PolarHBondContact NE-OE2 2.81Å; R11-E187 IonicContact NH2-OE1 3.41Å; R11-E187 PolarHBondContact NH2-OE1 3.47Å; R11-E187 IonicContact NH2-OE2 3.65Å; R11-E187 PolarHBondContact NH2-OE2 3.13Å; G184-E187 CarbonylContact C-O 3.55Å; G184-E187 VanDerWaalsContact C-O 3.29Å; G184-E187 WeakPolarHBondContact CA-O 3.24Å; G184-E187 PolarHBondContact N-O 3.04Å; M185-E187 PolarHBondContact O-N 2.87Å; E187-F189 HydrophobicContact CB-CZ 4.28Å; E187-F189 VanDerWaalsContact CD-CZ 3.47Å; E187-F189 HydrophobicContact CG-CE2 3.86Å; E187-F189 HydrophobicContact CG-CZ 3.72Å; E187-F189 WeakPolarHBondContact OE1-CZ 3.45Å; E187-R217 PolarHBondContact N-O 3.31Å
188N98.8Very high95.2Very high10 Ų1019.5 Ų19.55%0.05312%0.116CC..EExtended strand (participates in β ladder)trans-134.7153.5175.9-76.1-46.2000110.2I8 I215 T216I8-N188 HydrophobicContact CG2-CB 4.06Å; I8-N188 WeakPolarHBondContact CG2-O 3.45Å; I8-N188 PolarHBondContact N-O 3.24Å; I8-N188 PolarHBondContact O-N 3.02Å; N188-I215 HydrophobicContact CB-CG2 3.65Å; N188-T216 PolarHBondContact ND2-O 2.63Å
189F98.8Very high95.3Very high1 Ų122.2 Ų22.20%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-132.9159.9-175.4-51.3-79.4000110.7G6 A7 I16 I181 G182 E187 L197 V200 T201G6-F189 CarbonylContact O-C 3.18Å; G6-F189 VanDerWaalsContact O-CA 3.31Å; G6-F189 WeakPolarHBondContact O-CA 3.46Å; A7-F189 HydrophobicContact CB-CD1 3.71Å; A7-F189 HydrophobicContact CB-CE1 4.03Å; I16-F189 HydrophobicContact CD1-CE1 4.25Å; I16-F189 HydrophobicContact CG2-CD1 4.31Å; I16-F189 HydrophobicContact CG2-CE1 4.04Å; I181-F189 CarbonylContact C-O 3.52Å; I181-F189 WeakPolarHBondContact CA-O 3.11Å; I181-F189 WeakPolarHBondContact CG2-O 3.25Å; G182-F189 PolarHBondContact N-O 3.03Å; G182-F189 PolarHBondContact O-N 3.5Å; E187-F189 HydrophobicContact CB-CZ 4.28Å; E187-F189 VanDerWaalsContact CD-CZ 3.47Å; E187-F189 HydrophobicContact CG-CE2 3.86Å; E187-F189 HydrophobicContact CG-CZ 3.72Å; E187-F189 WeakPolarHBondContact OE1-CZ 3.45Å; F189-L197 HydrophobicContact CB-CD1 3.96Å; F189-L197 HydrophobicContact CB-CD2 3.68Å; F189-L197 HydrophobicContact CB-CG 4.38Å; F189-L197 HydrophobicContact CG-CD2 4.39Å; F189-V200 HydrophobicContact CD1-CG2 4.06Å; F189-V200 HydrophobicContact CD2-CB 4.5Å; F189-V200 HydrophobicContact CD2-CG2 3.73Å; F189-V200 HydrophobicContact CE1-CB 4.34Å; F189-V200 HydrophobicContact CE1-CG2 3.88Å; F189-V200 HydrophobicContact CE2-CB 3.81Å; F189-V200 HydrophobicContact CE2-CG2 3.52Å; F189-V200 HydrophobicContact CG-CG2 3.99Å; F189-V200 HydrophobicContact CZ-CB 3.71Å; F189-V200 HydrophobicContact CZ-CG1 4.25Å; F189-V200 HydrophobicContact CZ-CG2 3.59Å; F189-T201 HydrophobicContact CD2-CG2 4.09Å
190I98.7Very high95.3Very high1 Ų123.8 Ų23.81%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-144.2144.4170.2-174.2166.7000109.6V5 G6 V160 A172 L179 V180 I181 I215V5-I190 CarbonylContact C-O 3.59Å; V5-I190 WeakPolarHBondContact CA-O 3.31Å; G6-I190 PolarHBondContact N-O 3.1Å; G6-I190 PolarHBondContact O-N 3.41Å; V160-I190 HydrophobicContact CG1-CG2 4.1Å; V160-I190 HydrophobicContact CG2-CD1 4.03Å; V160-I190 HydrophobicContact CG2-CG1 4.42Å; V160-I190 HydrophobicContact CG2-CG2 3.89Å; A172-I190 HydrophobicContact CB-CD1 3.17Å; L179-I190 HydrophobicContact CB-CD1 4.33Å; L179-I190 HydrophobicContact CD1-CD1 4.27Å; L179-I190 HydrophobicContact CD2-CD1 4.04Å; L179-I190 HydrophobicContact CD2-CG1 4.09Å; L179-I190 HydrophobicContact CG-CD1 4.46Å; V180-I190 CarbonylContact O-C 3.58Å; V180-I190 WeakPolarHBondContact O-CA 3.49Å; V180-I190 WeakPolarHBondContact O-CG1 3.44Å; I181-I190 HydrophobicContact CG1-CD1 4.19Å; I181-I190 HydrophobicContact CG1-CG1 4.33Å; I190-I215 HydrophobicContact CB-CD1 4.11Å; I190-I215 HydrophobicContact CD1-CD1 3.89Å; I190-I215 HydrophobicContact CG2-CD1 4.44Å
191A97.4Very high95.3Very high0 Ų024.4 Ų24.40%015%0.147CC..EExtended strand (participates in β ladder)trans-150.2167.7174.100000111.7I4 L179 V180 D193 A196 L197I4-A191 CarbonylContact O-C 3.54Å; I4-A191 WeakPolarHBondContact O-CA 3.5Å; I4-A191 WeakPolarHBondContact O-CB 3.31Å; L179-A191 WeakPolarHBondContact CA-O 3.28Å; V180-A191 WeakPolarHBondContact CG1-O 3.44Å; V180-A191 PolarHBondContact N-O 3.25Å; V180-A191 PolarHBondContact O-N 2.95Å; A191-D193 WeakPolarHBondContact CB-O 3.42Å; A191-A196 HydrophobicContact CB-CB 3.86Å; A191-L197 HydrophobicContact CB-CD1 3.86Å; A191-L197 HydrophobicContact CB-CD2 3.93Å; A191-L197 HydrophobicContact CB-CG 3.7Å
192S92.7Very high95.2Very high3 Ų328.4 Ų28.42%0.02116%0.162CC..SBendtrans-71.2-21.5169.2-57.70000113.1I4 P178I4-S192 WeakPolarHBondContact CB-OG 3.37Å; I4-S192 PolarHBondContact N-OG 3.44Å; I4-S192 PolarHBondContact O-N 3.11Å; P178-S192 WeakPolarHBondContact O-CA 3.36Å
193D89Confident95.1Very high14 Ų1433.3 Ų33.38%0.07518%0.181CC..SBendtrans-145.7143.2180-156.4-53.1000110.4L24 Y26 R27 A191 L195 A196L24-D193 HydrophobicContact CD2-CB 3.55Å; Y26-D193 PolarHBondContact OH-OD2 3.17Å; R27-D193 IonicContact CZ-OD2 3.66Å; R27-D193 IonicContact NH2-OD2 3.73Å; R27-D193 PolarHBondContact NH2-OD2 3.26Å; A191-D193 WeakPolarHBondContact CB-O 3.42Å; D193-L195 PolarHBondContact O-N 3.07Å; D193-L195 WeakPolarHBondContact OD1-CG 3.33Å; D193-L195 PolarHBondContact OD1-N 2.9Å; D193-A196 WeakPolarHBondContact O-CB 2.9Å; D193-A196 PolarHBondContact O-N 3.09Å
194Q89.9Confident95Very high8 Ų832.3 Ų32.34%0.03718%0.175CC..G310 helixtrans-62.8-27.5179.965.4-175.9-34.300112V180 A196 L197 L198 F204 S237V180-Q194 HydrophobicContact CG1-CB 4.28Å; Q194-A196 PolarHBondContact O-N 3.06Å; Q194-A196 VanDerWaalsContact O-N 3.16Å; Q194-L197 PolarHBondContact O-N 3.33Å; Q194-L198 PolarHBondContact O-N 3.32Å; Q194-F204 HydrophobicContact CB-CD1 4.2Å; Q194-F204 HydrophobicContact CB-CD2 4.2Å; Q194-F204 HydrophobicContact CB-CE1 4.04Å; Q194-F204 HydrophobicContact CB-CE2 4Å; Q194-F204 HydrophobicContact CB-CG 4.28Å; Q194-F204 HydrophobicContact CB-CZ 3.92Å; Q194-S237 PolarHBondContact OE1-OG 3.24Å
195L85.8Confident95.1Very high33 Ų3332.1 Ų32.117%0.17317%0.17CC..G310 helixtrans-55.1-36-179.5-64.5177.9000112.2R23 D193 L197 L198 L239 Y241R23-L195 WeakPolarHBondContact CD-O 3.18Å; D193-L195 PolarHBondContact O-N 3.07Å; D193-L195 WeakPolarHBondContact OD1-CG 3.33Å; D193-L195 PolarHBondContact OD1-N 2.9Å; L195-L197 PolarHBondContact O-N 3.39Å; L195-L198 HydrophobicContact CD2-CD1 3.9Å; L195-L239 HydrophobicContact CD2-CD2 4.33Å; L195-Y241 HydrophobicContact CB-CD2 4.18Å; L195-Y241 HydrophobicContact CB-CE2 4.49Å; L195-Y241 HydrophobicContact CD2-CD2 4.17Å
196A92.4Very high95Very high2 Ų224.8 Ų24.82%0.01713%0.133CC..G310 helixtrans-64.1-24.7178.800000113.5V5 L24 A191 D193 Q194V5-A196 HydrophobicContact CG2-CB 4.27Å; L24-A196 HydrophobicContact CD1-CB 3.85Å; L24-A196 HydrophobicContact CD2-CB 4.15Å; L24-A196 HydrophobicContact CG-CB 3.84Å; A191-A196 HydrophobicContact CB-CB 3.86Å; D193-A196 WeakPolarHBondContact O-CB 2.9Å; D193-A196 PolarHBondContact O-N 3.09Å; Q194-A196 PolarHBondContact O-N 3.06Å; Q194-A196 VanDerWaalsContact O-N 3.16Å
197L95.9Very high95Very high0 Ų022.5 Ų22.50%011%0.109CC..THydrogen-bonded Turntrans-107-10.7-170.2-58.8-175.4000113.4V5 F189 A191 Q194 L195 P199 V200 T201 F204V5-L197 HydrophobicContact CG1-CD2 4.19Å; F189-L197 HydrophobicContact CB-CD1 3.96Å; F189-L197 HydrophobicContact CB-CD2 3.68Å; F189-L197 HydrophobicContact CB-CG 4.38Å; F189-L197 HydrophobicContact CG-CD2 4.39Å; A191-L197 HydrophobicContact CB-CD1 3.86Å; A191-L197 HydrophobicContact CB-CD2 3.93Å; A191-L197 HydrophobicContact CB-CG 3.7Å; Q194-L197 PolarHBondContact O-N 3.33Å; L195-L197 PolarHBondContact O-N 3.39Å; L197-P199 VanDerWaalsContact C-N 3.25Å; L197-P199 VanDerWaalsContact O-N 3.14Å; L197-V200 VanDerWaalsContact O-CG2 3.24Å; L197-V200 WeakPolarHBondContact O-CG2 3.39Å; L197-V200 PolarHBondContact O-N 3.01Å; L197-T201 HydrophobicContact CB-CG2 4.38Å; L197-T201 PolarHBondContact O-N 3.46Å; L197-F204 HydrophobicContact CB-CE1 3.69Å; L197-F204 HydrophobicContact CB-CZ 4.17Å; L197-F204 HydrophobicContact CD1-CE1 4.05Å; L197-F204 HydrophobicContact CG-CE1 4.48Å
198L92.7Very high94.7Very high18 Ų1825.8 Ų25.89%0.09413%0.125CC..THydrogen-bonded Turntrans-52.4-29.9177.6-70.6176.3000115.4Q194 L195 V200 T201 R202 F204 L239Q194-L198 PolarHBondContact O-N 3.32Å; L195-L198 HydrophobicContact CD2-CD1 3.9Å; L198-V200 PolarHBondContact O-N 3.14Å; L198-T201 WeakPolarHBondContact CA-O 3.47Å; L198-R202 HydrophobicContact CD2-CG 4.45Å; L198-F204 HydrophobicContact CD2-CE2 4Å; L198-F204 HydrophobicContact CD2-CZ 4.07Å; L198-L239 HydrophobicContact CD1-CB 4.45Å
199P93.9Very high94.3Very high68 Ų6829 Ų2944%0.44214%0.139SC..THydrogen-bonded Turntrans-64-23.3174-26.937.7000115.1E19 L197E19-P199 HydrophobicContact CG-CG 4.08Å; L197-P199 VanDerWaalsContact C-N 3.25Å; L197-P199 VanDerWaalsContact O-N 3.14Å
200V96.2Very high94.1Very high35 Ų3529.4 Ų29.421%0.21214%0.144CC..THydrogen-bonded Turntrans-121.3-21.5-170.9-65.90000113.6I16 F189 L197 L198I16-V200 HydrophobicContact CD1-CG1 4.08Å; I16-V200 HydrophobicContact CG1-CG1 3.99Å; I16-V200 HydrophobicContact CG2-CG1 4Å; I16-V200 HydrophobicContact CG2-CG2 4.33Å; F189-V200 HydrophobicContact CD1-CG2 4.06Å; F189-V200 HydrophobicContact CD2-CB 4.5Å; F189-V200 HydrophobicContact CD2-CG2 3.73Å; F189-V200 HydrophobicContact CE1-CB 4.34Å; F189-V200 HydrophobicContact CE1-CG2 3.88Å; F189-V200 HydrophobicContact CE2-CB 3.81Å; F189-V200 HydrophobicContact CE2-CG2 3.52Å; F189-V200 HydrophobicContact CG-CG2 3.99Å; F189-V200 HydrophobicContact CZ-CB 3.71Å; F189-V200 HydrophobicContact CZ-CG1 4.25Å; F189-V200 HydrophobicContact CZ-CG2 3.59Å; L197-V200 VanDerWaalsContact O-CG2 3.24Å; L197-V200 WeakPolarHBondContact O-CG2 3.39Å; L197-V200 PolarHBondContact O-N 3.01Å; L198-V200 PolarHBondContact O-N 3.14Å
201T96.4Very high94Very high17 Ų1729.4 Ų29.410%0.10414%0.144CC..  trans-158.5161.7175.5-174.10000112.9L183 F189 L197 L198 R203 F204L183-T201 WeakPolarHBondContact O-CB 3.44Å; L183-T201 PolarHBondContact O-OG1 3.01Å; F189-T201 HydrophobicContact CD2-CG2 4.09Å; L197-T201 HydrophobicContact CB-CG2 4.38Å; L197-T201 PolarHBondContact O-N 3.46Å; L198-T201 WeakPolarHBondContact CA-O 3.47Å; T201-R203 PolarHBondContact OG1-N 2.73Å; T201-R203 VanDerWaalsContact OG1-N 3.14Å; T201-F204 HydrophobicContact CG2-CE1 4.04Å; T201-F204 HydrophobicContact CG2-CZ 4.38Å; T201-F204 WeakPolarHBondContact O-CZ 3.48Å
202R95.2Very high94.1Very high84 Ų8429.7 Ų29.732%0.31715%0.145SC..  trans-121.5-1.5171.7-72.6-175.9168.9-78.8-6.4113.5L198 F204 E236 S237 L239L198-R202 HydrophobicContact CD2-CG 4.45Å; R202-F204 VanDerWaalsContact O-CD2 3.28Å; R202-F204 WeakPolarHBondContact O-CD2 3.4Å; R202-F204 WeakPolarHBondContact O-CE2 3.39Å; R202-E236 WeakPolarHBondContact CB-OE1 3.13Å; R202-S237 PolarHBondContact NH1-O 3.05Å; R202-S237 PolarHBondContact O-N 3.41Å; R202-L239 PolarHBondContact NH1-O 2.69Å; R202-L239 PolarHBondContact NH2-O 2.95Å
203R97.5Very high94.4Very high103 Ų10329.6 Ų29.639%0.38914%0.144SC..EExtended strand (participates in β ladder)trans-95.4120.3178.7-74.2179.362.3-146.90.5110G182 L183 T201 D234 I235 E236G182-R203 WeakPolarHBondContact CA-O 3.35Å; L183-R203 HydrophobicContact CB-CB 3.98Å; L183-R203 HydrophobicContact CD1-CB 4.46Å; L183-R203 PolarHBondContact N-O 2.61Å; T201-R203 PolarHBondContact OG1-N 2.73Å; T201-R203 VanDerWaalsContact OG1-N 3.14Å; R203-D234 IonicContact CZ-OD2 3.5Å; R203-D234 IonicContact NE-OD2 3Å; R203-D234 PolarHBondContact NE-OD2 3.34Å; R203-D234 VanDerWaalsContact NE-OD2 3.08Å; R203-D234 IonicContact NH2-OD2 3.51Å; R203-D234 PolarHBondContact NH2-OD2 3.36Å; R203-I235 CarbonylContact C-O 3.17Å; R203-I235 WeakPolarHBondContact CA-O 2.95Å; R203-E236 WeakPolarHBondContact CG-OE2 3.47Å
204F96.7Very high94.8Very high0 Ų030.7 Ų30.70%015%0.149CC..EExtended strand (participates in β ladder)trans-127.7140.3-171.6-63.4-65.4000113V180 I181 Q194 L197 L198 T201 R202 D234 I235 S237V180-F204 HydrophobicContact CG2-CB 3.74Å; V180-F204 HydrophobicContact CG2-CD1 3.83Å; V180-F204 HydrophobicContact CG2-CG 4.07Å; I181-F204 CarbonylContact O-C 3.55Å; I181-F204 VanDerWaalsContact O-CA 3.25Å; I181-F204 WeakPolarHBondContact O-CA 3.49Å; Q194-F204 HydrophobicContact CB-CD1 4.2Å; Q194-F204 HydrophobicContact CB-CD2 4.2Å; Q194-F204 HydrophobicContact CB-CE1 4.04Å; Q194-F204 HydrophobicContact CB-CE2 4Å; Q194-F204 HydrophobicContact CB-CG 4.28Å; Q194-F204 HydrophobicContact CB-CZ 3.92Å; L197-F204 HydrophobicContact CB-CE1 3.69Å; L197-F204 HydrophobicContact CB-CZ 4.17Å; L197-F204 HydrophobicContact CD1-CE1 4.05Å; L197-F204 HydrophobicContact CG-CE1 4.48Å; L198-F204 HydrophobicContact CD2-CE2 4Å; L198-F204 HydrophobicContact CD2-CZ 4.07Å; T201-F204 HydrophobicContact CG2-CE1 4.04Å; T201-F204 HydrophobicContact CG2-CZ 4.38Å; T201-F204 WeakPolarHBondContact O-CZ 3.48Å; R202-F204 VanDerWaalsContact O-CD2 3.28Å; R202-F204 WeakPolarHBondContact O-CD2 3.4Å; R202-F204 WeakPolarHBondContact O-CE2 3.39Å; F204-D234 CarbonylContact O-C 3.5Å; F204-D234 VanDerWaalsContact O-CA 3.3Å; F204-D234 WeakPolarHBondContact O-CA 3.43Å; F204-I235 HydrophobicContact CB-CG1 4.27Å; F204-I235 PolarHBondContact N-O 3.24Å; F204-I235 PolarHBondContact O-N 2.69Å; F204-S237 VanDerWaalsContact CD2-CB 3.43Å
205I97.5Very high95.3Very high14 Ų1430.4 Ų30.47%0.07215%0.148CC..EExtended strand (participates in β ladder)trans-116119.8166.1-61.7172.9000107.6V180 I181 L183 I222 R232 D234V180-I205 WeakPolarHBondContact CA-O 3.32Å; I181-I205 HydrophobicContact CB-CB 4.27Å; I181-I205 PolarHBondContact N-O 3.1Å; I181-I205 PolarHBondContact O-N 3.22Å; L183-I205 HydrophobicContact CD1-CD1 4Å; L183-I205 HydrophobicContact CD1-CG1 4.22Å; L183-I205 HydrophobicContact CD2-CD1 4.14Å; L183-I205 HydrophobicContact CG-CD1 4.39Å; I205-I222 HydrophobicContact CG2-CD1 3.75Å; I205-R232 HydrophobicContact CG2-CB 3.48Å; I205-R232 VanDerWaalsContact CG2-CB 3.48Å; I205-R232 HydrophobicContact CG2-CG 4.34Å; I205-D234 HydrophobicContact CD1-CB 4.37Å; I205-D234 HydrophobicContact CG1-CB 3.73Å
206F94.6Very high95.9Very high34 Ų3430.1 Ų30.115%0.14915%0.148CC..EExtended strand (participates in β ladder)trans-82.1125.8170.3-63.7-81.2000109.2V180 I235V180-F206 HydrophobicContact CB-CD1 3.95Å; V180-F206 HydrophobicContact CB-CE1 4.08Å; V180-F206 HydrophobicContact CG2-CD1 3.8Å; V180-F206 HydrophobicContact CG2-CE1 3.77Å; V180-F206 HydrophobicContact CG2-CG 4.36Å; V180-F206 HydrophobicContact CG2-CZ 4.3Å; F206-I235 HydrophobicContact CD2-CD1 4.46Å; F206-I235 HydrophobicContact CE2-CD1 3.58Å; F206-I235 HydrophobicContact CE2-CG1 4.06Å; F206-I235 HydrophobicContact CZ-CD1 4.42Å
207L95.9Very high96.2Very high1 Ų133.3 Ų33.31%0.00516%0.159CC..PPolyproline II helixtrans-70.1138.8170.6-65.6-171.2000108.8A172 R174 L179 I181 D211 A213 I222A172-L207 HydrophobicContact CB-CD1 4.29Å; R174-L207 HydrophobicContact CB-CB 4.18Å; R174-L207 HydrophobicContact CB-CD1 4.49Å; R174-L207 WeakPolarHBondContact CD-O 3.47Å; R174-L207 PolarHBondContact NH1-O 3.01Å; L179-L207 HydrophobicContact CB-CD1 3.97Å; L179-L207 HydrophobicContact CB-CG 4.46Å; L179-L207 HydrophobicContact CD1-CD1 4.34Å; L179-L207 PolarHBondContact O-N 3.17Å; I181-L207 HydrophobicContact CD1-CD2 3.72Å; I181-L207 HydrophobicContact CD1-CG 4.29Å; I181-L207 HydrophobicContact CG1-CD2 4.34Å; I181-L207 HydrophobicContact CG1-CG 4.43Å; L207-D211 HydrophobicContact CB-CB 4.07Å; L207-D211 HydrophobicContact CD2-CB 4.32Å; L207-A213 HydrophobicContact CD1-CB 4.21Å; L207-A213 HydrophobicContact CD2-CB 3.98Å; L207-I222 HydrophobicContact CD2-CD1 3.86Å; L207-I222 HydrophobicContact CD2-CG1 4.22Å; L207-I222 HydrophobicContact CD2-CG2 4.3Å
208E92.4Very high96.3Very high96 Ų9643.1 Ų43.145%0.44920%0.196SC..PPolyproline II helixtrans-80.5168.6172.9-66.6-63.6163.800111.5R174 G210 D211R174-E208 WeakPolarHBondContact CD-O 3.3Å; E208-G210 PolarHBondContact O-N 3.5Å; E208-D211 WeakPolarHBondContact CB-OD2 3.39Å; E208-D211 PolarHBondContact N-OD2 2.83Å; E208-D211 WeakPolarHBondContact O-CB 3.49Å; E208-D211 PolarHBondContact O-N 3.15Å; E208-D211 VanDerWaalsContact O-N 3.1Å
209E90.1Very high96.5Very high77 Ų7744.3 Ų44.336%0.3621%0.206SC..THydrogen-bonded Turntrans-60.4119.7175.7-176.463.6-13900110.9S175 G176 R361S175-E209 VanDerWaalsContact C-OE1 3.31Å; S175-E209 WeakPolarHBondContact CA-OE1 3.29Å; S175-E209 WeakPolarHBondContact CB-OE1 3.4Å; S175-E209 PolarHBondContact OG-OE1 2.89Å; G176-E209 WeakPolarHBondContact CA-OE2 3.43Å; G176-E209 PolarHBondContact N-OE1 2.93Å; G176-E209 PolarHBondContact N-OE2 3Å; E209-R361 IonicContact OE2-CZ 3.92Å; E209-R361 IonicContact OE2-NH1 2.83Å; E209-R361 PolarHBondContact OE2-NH1 2.95Å; E209-R361 IonicContact OE2-NH2 2.79Å
210G95.1Very high96.7Very high10 Ų1042.3 Ų42.310%0.10319%0.193CC..THydrogen-bonded Turntrans88.50.6-177.900000115.1R174 E208 K225R174-G210 CarbonylContact O-C 3.57Å; R174-G210 WeakPolarHBondContact O-CA 3.4Å; R174-G210 PolarHBondContact O-N 3.5Å; E208-G210 PolarHBondContact O-N 3.5Å; G210-K225 WeakPolarHBondContact O-CA 3.27Å; G210-K225 PolarHBondContact O-N 3.4Å
211D97.9Very high96.8Very high1 Ų142.8 Ų42.81%0.00519%0.194CC..  trans-69.1143.3177.6-81.2-1000112.1R174 L207 E208 I222 F223 R232R174-D211 PolarHBondContact N-O 3.04Å; L207-D211 HydrophobicContact CB-CB 4.07Å; L207-D211 HydrophobicContact CD2-CB 4.32Å; E208-D211 WeakPolarHBondContact CB-OD2 3.39Å; E208-D211 PolarHBondContact N-OD2 2.83Å; E208-D211 WeakPolarHBondContact O-CB 3.49Å; E208-D211 PolarHBondContact O-N 3.15Å; E208-D211 VanDerWaalsContact O-N 3.1Å; D211-I222 HydrophobicContact CB-CG2 4.02Å; D211-F223 CarbonylContact C-O 3.53Å; D211-F223 WeakPolarHBondContact CA-O 3.47Å; D211-R232 IonicContact OD1-CZ 3.33Å; D211-R232 IonicContact OD1-NE 3.08Å; D211-R232 IonicContact OD1-NH2 2.72Å; D211-R232 PolarHBondContact OD1-NH2 2.99Å; D211-R232 IonicContact OD2-CZ 2.98Å; D211-R232 IonicContact OD2-NE 3.33Å; D211-R232 PolarHBondContact OD2-NE 3.38Å; D211-R232 IonicContact OD2-NH2 2.81Å; D211-R232 PolarHBondContact OD2-NH2 3.36Å
212I98.5Very high97Very high6 Ų642.2 Ų42.23%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-120130.6168.9-64.2164.2000108V146 L147 I150 L171 A172 A173 I222 F223V146-I212 HydrophobicContact CG1-CG2 4.26Å; L147-I212 HydrophobicContact CD2-CD1 3.45Å; L147-I212 VanDerWaalsContact CD2-CD1 3.45Å; L147-I212 HydrophobicContact CG-CD1 4.15Å; I150-I212 HydrophobicContact CB-CD1 4.36Å; I150-I212 HydrophobicContact CG1-CD1 4.05Å; I150-I212 HydrophobicContact CG2-CD1 4.38Å; L171-I212 HydrophobicContact CD1-CG2 3.86Å; A172-I212 CarbonylContact O-C 3.6Å; A172-I212 VanDerWaalsContact O-CA 3.25Å; A172-I212 WeakPolarHBondContact O-CA 3.45Å; A173-I212 HydrophobicContact CB-CG1 4.02Å; I212-I222 CarbonylContact O-C 3.55Å; I212-I222 WeakPolarHBondContact O-CA 3.33Å; I212-F223 PolarHBondContact N-O 3.27Å; I212-F223 PolarHBondContact O-N 3.04Å
213A98.7Very high97.1Very high0 Ų039.1 Ų39.10%018%0.179CC..EExtended strand (participates in β ladder)trans-120.8127.3-179.900000111.7L171 A172 I181 L207 I215 N221 I222L171-A213 WeakPolarHBondContact CA-O 3.46Å; A172-A213 HydrophobicContact CB-CB 4.38Å; A172-A213 PolarHBondContact N-O 3.34Å; A172-A213 PolarHBondContact O-N 3.13Å; I181-A213 HydrophobicContact CD1-CB 3.69Å; L207-A213 HydrophobicContact CD1-CB 4.21Å; L207-A213 HydrophobicContact CD2-CB 3.98Å; A213-I215 HydrophobicContact CB-CD1 4.4Å; A213-I215 HydrophobicContact CB-CG1 4.14Å; A213-N221 CarbonylContact C-O 3.33Å; A213-N221 WeakPolarHBondContact CA-O 3.34Å; A213-I222 HydrophobicContact CB-CG1 4.09Å
214E98.8Very high97Very high38 Ų3836.1 Ų36.118%0.17817%0.171CC..EExtended strand (participates in β ladder)trans-91.9115.1166.4-177.3-176.5-10600108.5T169 L171 N221 F223T169-E214 HydrophobicContact CG2-CG 3.8Å; L171-E214 HydrophobicContact CD1-CB 4.29Å; L171-E214 HydrophobicContact CD2-CB 4.45Å; L171-E214 HydrophobicContact CD2-CG 4.22Å; E214-N221 HydrophobicContact CB-CB 4.49Å; E214-N221 PolarHBondContact N-O 3.33Å; E214-N221 PolarHBondContact O-N 2.66Å; E214-F223 HydrophobicContact CB-CE2 4.33Å
215I98.8Very high96.8Very high1 Ų144.2 Ų44.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-116.5115.3-171.6-54.5173.2000108I8 L170 A172 I181 N188 I190 A213 V220I8-I215 HydrophobicContact CG2-CG2 4.06Å; L170-I215 HydrophobicContact CB-CB 4.35Å; L170-I215 PolarHBondContact N-O 3.5Å; L170-I215 PolarHBondContact O-N 3.19Å; A172-I215 HydrophobicContact CB-CD1 4.2Å; I181-I215 HydrophobicContact CD1-CD1 3.74Å; I181-I215 HydrophobicContact CD1-CG1 4.1Å; I181-I215 HydrophobicContact CG1-CD1 3.9Å; N188-I215 HydrophobicContact CB-CG2 3.65Å; I190-I215 HydrophobicContact CB-CD1 4.11Å; I190-I215 HydrophobicContact CD1-CD1 3.89Å; I190-I215 HydrophobicContact CG2-CD1 4.44Å; A213-I215 HydrophobicContact CB-CD1 4.4Å; A213-I215 HydrophobicContact CB-CG1 4.14Å; I215-V220 HydrophobicContact CG2-CG2 4.4Å
216T98.7Very high96.6Very high28 Ų2849.3 Ų49.317%0.17224%0.238CC..  trans-107.6175.5170.178.50000109.4N188 R218 S219N188-T216 PolarHBondContact ND2-O 2.63Å; T216-R218 PolarHBondContact O-N 2.96Å; T216-R218 VanDerWaalsContact O-N 3.13Å; T216-R218 PolarHBondContact OG1-N 2.89Å; T216-S219 PolarHBondContact N-O 3.44Å; T216-S219 PolarHBondContact OG1-N 3.5Å; T216-S219 PolarHBondContact OG1-O 3.49Å; T216-S219 PolarHBondContact OG1-OG 3.04Å
217R97.9Very high96.5Very high69 Ų6949.1 Ų49.126%0.2625%0.245SC..SBendtrans-57.9-23.9170.5-171.1174.360.6167.3-3.9113.8I8 G186 E187I8-R217 HydrophobicContact CG1-CB 4.12Å; G186-R217 CarbonylContact C-O 3.54Å; G186-R217 VanDerWaalsContact O-CD 3.31Å; G186-R217 WeakPolarHBondContact O-CD 3.48Å; G186-R217 WeakPolarHBondContact O-CG 3.43Å; E187-R217 PolarHBondContact N-O 3.31Å
218R98Very high96.5Very high205 Ų20551.1 Ų51.177%0.77426%0.262SS*.SBendtrans-123-11.2-169.2-63.7-173.2178-173.31.3114.8T216T216-R218 PolarHBondContact O-N 2.96Å; T216-R218 VanDerWaalsContact O-N 3.13Å; T216-R218 PolarHBondContact OG1-N 2.89Å
219S98.1Very high96.7Very high44 Ų4452.2 Ų52.231%0.30827%0.267SS..  trans-146.9152.6-174.962.10000111.7T216T216-S219 PolarHBondContact N-O 3.44Å; T216-S219 PolarHBondContact OG1-N 3.5Å; T216-S219 PolarHBondContact OG1-O 3.49Å; T216-S219 PolarHBondContact OG1-OG 3.04Å
220V98.7Very high97.1Very high26 Ų2650 Ų5016%0.15826%0.259CS..EExtended strand (participates in β ladder)trans-130.2113.1171178.10000107.2I181 L183 I215 I222I181-V220 HydrophobicContact CD1-CG1 3.62Å; I181-V220 HydrophobicContact CG2-CG1 4.31Å; I181-V220 HydrophobicContact CG2-CG2 4.06Å; L183-V220 HydrophobicContact CD2-CG2 3.8Å; I215-V220 HydrophobicContact CG2-CG2 4.4Å; V220-I222 HydrophobicContact CG1-CD1 4.32Å; V220-I222 HydrophobicContact CG1-CG1 4.07Å
221N98.5Very high97.2Very high44 Ų4456.5 Ų56.524%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-112.9122.9177.4-63.9-31000108.6A213 E214 F223A213-N221 CarbonylContact C-O 3.33Å; A213-N221 WeakPolarHBondContact CA-O 3.34Å; E214-N221 HydrophobicContact CB-CB 4.49Å; E214-N221 PolarHBondContact N-O 3.33Å; E214-N221 PolarHBondContact O-N 2.66Å; N221-F223 HydrophobicContact CB-CE2 4.02Å; N221-F223 HydrophobicContact CB-CZ 4.2Å
222I98.7Very high97.2Very high5 Ų560.1 Ų60.13%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-111.7139-175.6-56.9172.9000108.8I205 L207 D211 I212 A213 V220 E229 V230 R232I205-I222 HydrophobicContact CG2-CD1 3.75Å; L207-I222 HydrophobicContact CD2-CD1 3.86Å; L207-I222 HydrophobicContact CD2-CG1 4.22Å; L207-I222 HydrophobicContact CD2-CG2 4.3Å; D211-I222 HydrophobicContact CB-CG2 4.02Å; I212-I222 CarbonylContact O-C 3.55Å; I212-I222 WeakPolarHBondContact O-CA 3.33Å; A213-I222 HydrophobicContact CB-CG1 4.09Å; V220-I222 HydrophobicContact CG1-CD1 4.32Å; V220-I222 HydrophobicContact CG1-CG1 4.07Å; I222-E229 WeakPolarHBondContact O-CA 3.35Å; I222-V230 HydrophobicContact CB-CG2 4.23Å; I222-V230 HydrophobicContact CG2-CG2 3.81Å; I222-V230 PolarHBondContact O-N 2.99Å; I222-R232 HydrophobicContact CD1-CB 3.91Å; I222-R232 HydrophobicContact CD1-CG 3.69Å; I222-R232 HydrophobicContact CG2-CG 4.24Å
223F98.3Very high97Very high20 Ų2067.7 Ų67.79%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-124.1135.3178-53.9-91.1000108.6R143 D211 I212 E214 N221 A228 E229R143-F223 HydrophobicContact CG-CE2 4.34Å; D211-F223 CarbonylContact C-O 3.53Å; D211-F223 WeakPolarHBondContact CA-O 3.47Å; I212-F223 PolarHBondContact N-O 3.27Å; I212-F223 PolarHBondContact O-N 3.04Å; E214-F223 HydrophobicContact CB-CE2 4.33Å; N221-F223 HydrophobicContact CB-CE2 4.02Å; N221-F223 HydrophobicContact CB-CZ 4.2Å; F223-A228 CarbonylContact C-O 3.29Å; F223-A228 WeakPolarHBondContact CA-O 3.44Å; F223-E229 HydrophobicContact CD1-CB 4.2Å; F223-E229 HydrophobicContact CE1-CB 4.11Å; F223-E229 HydrophobicContact CE1-CG 4.33Å
224D96Very high96.8Very high39 Ų3970.8 Ų70.821%0.20935%0.35CS..  trans-76.1179.6175.77121.6000111.9T226 G227 A228 V230D224-T226 PolarHBondContact O-N 2.83Å; D224-T226 WeakPolarHBondContact OD1-CA 3.44Å; D224-T226 WeakPolarHBondContact OD1-CB 3.4Å; D224-T226 PolarHBondContact OD1-N 2.83Å; D224-T226 PolarHBondContact OD1-OG1 3Å; D224-G227 WeakPolarHBondContact O-CA 3.42Å; D224-G227 PolarHBondContact O-N 3.48Å; D224-G227 PolarHBondContact OD1-N 3.33Å; D224-A228 PolarHBondContact N-O 3.06Å; D224-A228 PolarHBondContact OD1-N 2.82Å; D224-V230 HydrophobicContact CB-CG1 4.05Å; D224-V230 HydrophobicContact CB-CG2 4.34Å
225K91.5Very high96.6Very high171 Ų17172.1 Ų72.174%0.74336%0.357SS*.THydrogen-bonded Turntrans-57.4-21.3179.4-170.6170.2-177.1170.80114.4G210 G227G210-K225 WeakPolarHBondContact O-CA 3.27Å; G210-K225 PolarHBondContact O-N 3.4Å; K225-G227 VanDerWaalsContact C-N 3.35Å
226T93.1Very high96.3Very high121 Ų12178.1 Ų78.174%0.74239%0.385SS*.THydrogen-bonded Turntrans-87.4-8.8176.875.80000112.7D224D224-T226 PolarHBondContact O-N 2.83Å; D224-T226 WeakPolarHBondContact OD1-CA 3.44Å; D224-T226 WeakPolarHBondContact OD1-CB 3.4Å; D224-T226 PolarHBondContact OD1-N 2.83Å; D224-T226 PolarHBondContact OD1-OG1 3Å
227G92.1Very high95.7Very high29 Ų2977 Ų7730%0.29938%0.379SS..SBendtrans86.66.5-174.500000113.9D224 K225D224-G227 WeakPolarHBondContact O-CA 3.42Å; D224-G227 PolarHBondContact O-N 3.48Å; D224-G227 PolarHBondContact OD1-N 3.33Å; K225-G227 VanDerWaalsContact C-N 3.35Å
228A96.5Very high94.8Very high44 Ų4480.6 Ų80.636%0.36440%0.403SS..  trans-77139.5177.300000110.7F223 D224 V230F223-A228 CarbonylContact C-O 3.29Å; F223-A228 WeakPolarHBondContact CA-O 3.44Å; D224-A228 PolarHBondContact N-O 3.06Å; D224-A228 PolarHBondContact OD1-N 2.82Å; A228-V230 PolarHBondContact O-N 2.83Å
229E97.6Very high93.7Very high118 Ų11872 Ų7255%0.55137%0.373SS*.EExtended strand (participates in β ladder)trans-68.5131.3175.6-168.7-176.4172.900110.4I222 F223 K231I222-E229 WeakPolarHBondContact O-CA 3.35Å; F223-E229 HydrophobicContact CD1-CB 4.2Å; F223-E229 HydrophobicContact CE1-CB 4.11Å; F223-E229 HydrophobicContact CE1-CG 4.33Å; E229-K231 IonicContact OE1-NZ 3.4Å; E229-K231 PolarHBondContact OE1-NZ 2.99Å
230V98Very high92.6Very high30 Ų3077.4 Ų77.418%0.18239%0.393CS..EExtended strand (participates in β ladder)trans-132.7158.1-179.5-65.50000110.7I222 D224 A228I222-V230 HydrophobicContact CB-CG2 4.23Å; I222-V230 HydrophobicContact CG2-CG2 3.81Å; I222-V230 PolarHBondContact O-N 2.99Å; D224-V230 HydrophobicContact CB-CG1 4.05Å; D224-V230 HydrophobicContact CB-CG2 4.34Å; A228-V230 PolarHBondContact O-N 2.83Å
231K97.2Very high91.2Very high147 Ų14779.4 Ų79.464%0.63940%0.398SS*.  trans-112.2126.5170.4-63-60.4175.5-1550109.2E229E229-K231 IonicContact OE1-NZ 3.4Å; E229-K231 PolarHBondContact OE1-NZ 2.99Å
232R96.7Very high89.9Confident77 Ų7781.2 Ų81.229%0.29141%0.408SS..PPolyproline II helixtrans-100.8139.3169.9-56.8-57.7180-164.2-1.6108I205 D211 I222I205-R232 HydrophobicContact CG2-CB 3.48Å; I205-R232 VanDerWaalsContact CG2-CB 3.48Å; I205-R232 HydrophobicContact CG2-CG 4.34Å; D211-R232 IonicContact OD1-CZ 3.33Å; D211-R232 IonicContact OD1-NE 3.08Å; D211-R232 IonicContact OD1-NH2 2.72Å; D211-R232 PolarHBondContact OD1-NH2 2.99Å; D211-R232 IonicContact OD2-CZ 2.98Å; D211-R232 IonicContact OD2-NE 3.33Å; D211-R232 PolarHBondContact OD2-NE 3.38Å; D211-R232 IonicContact OD2-NH2 2.81Å; D211-R232 PolarHBondContact OD2-NH2 3.36Å; I222-R232 HydrophobicContact CD1-CB 3.91Å; I222-R232 HydrophobicContact CD1-CG 3.69Å; I222-R232 HydrophobicContact CG2-CG 4.24Å
233Q95Very high88.3Confident166 Ų16683.2 Ų83.278%0.77643%0.425SS*.PPolyproline II helixtrans-68.4134.9-179.8177.9175.5-9.500109.9
234D95.6Very high86.8Confident65 Ų6582.6 Ų82.635%0.34842%0.424SS..PPolyproline II helixtrans-83.2142.516667.6-51.6000110.6L183 R203 F204 I205L183-D234 HydrophobicContact CD1-CB 3.86Å; R203-D234 IonicContact CZ-OD2 3.5Å; R203-D234 IonicContact NE-OD2 3Å; R203-D234 PolarHBondContact NE-OD2 3.34Å; R203-D234 VanDerWaalsContact NE-OD2 3.08Å; R203-D234 IonicContact NH2-OD2 3.51Å; R203-D234 PolarHBondContact NH2-OD2 3.36Å; F204-D234 CarbonylContact O-C 3.5Å; F204-D234 VanDerWaalsContact O-CA 3.3Å; F204-D234 WeakPolarHBondContact O-CA 3.43Å; I205-D234 HydrophobicContact CD1-CB 4.37Å; I205-D234 HydrophobicContact CG1-CB 3.73Å
235I93.1Very high86Confident66 Ų6686.4 Ų86.434%0.33844%0.444SS..EExtended strand (participates in β ladder)trans-118.5150175.967153.2000110.2R203 F204 F206R203-I235 CarbonylContact C-O 3.17Å; R203-I235 WeakPolarHBondContact CA-O 2.95Å; F204-I235 HydrophobicContact CB-CG1 4.27Å; F204-I235 PolarHBondContact N-O 3.24Å; F204-I235 PolarHBondContact O-N 2.69Å; F206-I235 HydrophobicContact CD2-CD1 4.46Å; F206-I235 HydrophobicContact CE2-CD1 3.58Å; F206-I235 HydrophobicContact CE2-CG1 4.06Å; F206-I235 HydrophobicContact CZ-CD1 4.42Å
236E92.9Very high85.7Confident126 Ų12681.3 Ų81.359%0.58942%0.422SS*.EExtended strand (participates in β ladder)trans-91.8116.3167.4-169.672.8-154.100108.3R202 R203R202-E236 WeakPolarHBondContact CB-OE1 3.13Å; R203-E236 WeakPolarHBondContact CG-OE2 3.47Å
237S86.3Confident85.6Confident5 Ų578.1 Ų78.14%0.03541%0.413CS..  trans-85.6125.2179.8178.30000111.3Q194 R202 F204 L239Q194-S237 PolarHBondContact OE1-OG 3.24Å; R202-S237 PolarHBondContact NH1-O 3.05Å; R202-S237 PolarHBondContact O-N 3.41Å; F204-S237 VanDerWaalsContact CD2-CB 3.43Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 WeakPolarHBondContact OG-CD1 3.29Å; S237-L239 PolarHBondContact OG-N 3.17Å
238N79.9Confident85.7Confident144 Ų14484.2 Ų84.277%0.7744%0.437SS*.  trans-87.25171.864.1-9.6000112.7Q240N238-Q240 PolarHBondContact O-N 3.09Å
239L75Confident85.7Confident26 Ų2685.1 Ų85.114%0.13643%0.432CS..  trans-61.5134.6179-82.896.4000110.8L195 L198 R202 S237L195-L239 HydrophobicContact CD2-CD2 4.33Å; L198-L239 HydrophobicContact CD1-CB 4.45Å; R202-L239 PolarHBondContact NH1-O 2.69Å; R202-L239 PolarHBondContact NH2-O 2.95Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 WeakPolarHBondContact OG-CD1 3.29Å; S237-L239 PolarHBondContact OG-N 3.17Å
240Q73.7Confident85.6Confident156 Ų15688.2 Ų88.273%0.72944%0.438SS*.  trans-95.8127.8169.1-67.4-87.3-19.300106.5N238 D242N238-Q240 PolarHBondContact O-N 3.09Å; Q240-D242 PolarHBondContact O-N 3.3Å
241Y70.2Confident85.6Confident68 Ų6888 Ų8827%0.26744%0.435SS..  trans-76.4104.3168.3-179.4-109.2000108R23 L195 A243R23-Y241 HydrophobicContact CB-CE2 4.06Å; R23-Y241 HydrophobicContact CG-CE1 4.06Å; R23-Y241 HydrophobicContact CG-CE2 3.87Å; R23-Y241 VanDerWaalsContact CZ-CE1 3.45Å; R23-Y241 VanDerWaalsContact NH1-CB 3.26Å; L195-Y241 HydrophobicContact CB-CD2 4.18Å; L195-Y241 HydrophobicContact CB-CE2 4.49Å; L195-Y241 HydrophobicContact CD2-CD2 4.17Å; Y241-A243 HydrophobicContact CD1-CB 4.02Å; Y241-A243 VanDerWaalsContact CE1-CA 3.49Å; Y241-A243 HydrophobicContact CE1-CB 3.3Å
242D71.1Confident85.5Confident83 Ų8383.5 Ų83.544%0.44442%0.415SS..  trans-93.2102.7162-179.49.8000107.2Q240 G244 T396Q240-D242 PolarHBondContact O-N 3.3Å; D242-G244 PolarHBondContact O-N 3.1Å; D242-G244 PolarHBondContact OD1-N 3.12Å; D242-T396 PolarHBondContact O-OG1 2.91Å; D242-T396 VanDerWaalsContact O-OG1 3.09Å
243A65.4Low85.5Confident46 Ų4679.9 Ų79.938%0.3840%0.401SS..  trans-59.5-13.9176.600000112.5Y241Y241-A243 HydrophobicContact CD1-CB 4.02Å; Y241-A243 VanDerWaalsContact CE1-CA 3.49Å; Y241-A243 HydrophobicContact CE1-CB 3.3Å
244G66Low85.7Confident7 Ų773.7 Ų73.77%0.07237%0.372CS..  trans68.5119.5-163.500000109.5D242 Y252D242-G244 PolarHBondContact O-N 3.1Å; D242-G244 PolarHBondContact OD1-N 3.12Å; G244-Y252 WeakPolarHBondContact O-CE1 3.22Å; G244-Y252 PolarHBondContact O-OH 3.47Å
245D78.4Confident85.8Confident119 Ų11971.6 Ų71.664%0.63636%0.36SS*.  trans-94.3143.2160.8-171.8-4.8000108.5G247 K255D245-G247 PolarHBondContact O-N 3.49Å; D245-G247 PolarHBondContact OD1-N 3.32Å; D245-K255 WeakPolarHBondContact O-CD 2.88Å; D245-K255 WeakPolarHBondContact O-CE 3.38Å
246K85.5Confident86Confident65 Ų6568.5 Ų68.528%0.28334%0.344SS..  trans-68.9-24.3168.7-68.7-174169.6-161.70111.4I248 Y249 R250 Y252 D597K246-I248 PolarHBondContact O-N 3.21Å; K246-Y249 WeakPolarHBondContact O-CB 3.35Å; K246-Y249 WeakPolarHBondContact O-CD2 3.47Å; K246-Y249 PolarHBondContact O-N 3.04Å; K246-R250 WeakPolarHBondContact CD-O 3.29Å; K246-R250 PolarHBondContact NZ-O 2.92Å; K246-R250 VanDerWaalsContact NZ-O 3.13Å; K246-Y252 HydrophobicContact CD-CD2 4.36Å; K246-Y252 HydrophobicContact CD-CE2 4.25Å; K246-Y252 HydrophobicContact CG-CD1 4.03Å; K246-Y252 HydrophobicContact CG-CD2 4.07Å; K246-Y252 HydrophobicContact CG-CE1 3.86Å; K246-Y252 HydrophobicContact CG-CE2 3.9Å; K246-Y252 HydrophobicContact CG-CG 4.13Å; K246-D597 WeakPolarHBondContact CE-OD2 3.27Å; K246-D597 IonicContact NZ-OD2 3.51Å; K246-D597 PolarHBondContact NZ-OD2 3.24Å
247G90.9Very high86.3Confident53 Ų5362.5 Ų62.555%0.54632%0.316SS..THydrogen-bonded Turntrans58.7-125.3-179.100000111.2D245 Y249D245-G247 PolarHBondContact O-N 3.49Å; D245-G247 PolarHBondContact OD1-N 3.32Å; G247-Y249 VanDerWaalsContact C-N 3.28Å; G247-Y249 PolarHBondContact O-N 2.9Å
248I95.1Very high86.9Confident157 Ų15765.1 Ų65.181%0.80533%0.326SS*.THydrogen-bonded Turntrans-80.6-7.5178.466.4171.8000113.7K246K246-I248 PolarHBondContact O-N 3.21Å
249Y96.7Very high87.8Confident63 Ų6360.9 Ų60.925%0.24730%0.301CS..  trans-91.1154.7-173.1-55.4-79.4000111.3K246 G247 Q254 K255 Y258K246-Y249 WeakPolarHBondContact O-CB 3.35Å; K246-Y249 WeakPolarHBondContact O-CD2 3.47Å; K246-Y249 PolarHBondContact O-N 3.04Å; G247-Y249 VanDerWaalsContact C-N 3.28Å; G247-Y249 PolarHBondContact O-N 2.9Å; Y249-Q254 HydrophobicContact CD1-CG 3.95Å; Y249-K255 HydrophobicContact CD2-CB 3.38Å; Y249-K255 HydrophobicContact CD2-CD 4.24Å; Y249-K255 HydrophobicContact CD2-CG 3.66Å; Y249-K255 HydrophobicContact CE2-CB 4.03Å; Y249-K255 HydrophobicContact CE2-CG 3.93Å; Y249-K255 HydrophobicContact CG-CB 3.76Å; Y249-Y258 HydrophobicContact CE1-CD1 4.17Å; Y249-Y258 HydrophobicContact CE1-CD2 4.12Å; Y249-Y258 AromaticContact CE1-CG 3.72Å; Y249-Y258 HydrophobicContact CE1-CG 3.72Å; Y249-Y258 WeakPolarHBondContact OH-CB 3.45Å
250R96.2Very high88.9Confident184 Ų18459.7 Ų59.769%0.69430%0.295SS*.SBendtrans-79.5-34.4179.5-173.9-179.1171.4101-1.3112.4K246K246-R250 WeakPolarHBondContact CD-O 3.29Å; K246-R250 PolarHBondContact NZ-O 2.92Å; K246-R250 VanDerWaalsContact NZ-O 3.13Å
251H96.4Very high90.1Very high26 Ų2653.1 Ų53.112%0.1227%0.266CS..SBendtrans-128.5152.2-175.1-59.3105000110.4M253 Q254 K255 Y586 L590 V596 D597H251-M253 VanDerWaalsContact C-N 3.35Å; H251-Q254 HydrophobicContact CB-CB 4.16Å; H251-Q254 PolarHBondContact O-N 2.99Å; H251-K255 PolarHBondContact O-N 3.03Å; H251-K255 VanDerWaalsContact O-N 3.11Å; H251-Y586 HydrophobicContact CB-CE2 4.08Å; H251-Y586 AromaticContact ND1-CE2 3.48Å; H251-Y586 WeakPolarHBondContact ND1-CE2 3.32Å; H251-Y586 AromaticContact ND1-CZ 3.7Å; H251-Y586 PolarHBondContact ND1-OH 3.33Å; H251-L590 WeakPolarHBondContact CE1-CD2 3.25Å; H251-V596 HydrophobicContact CB-CG1 4.49Å; H251-D597 WeakPolarHBondContact CA-OD2 3.47Å; H251-D597 IonicContact CD2-OD2 3.77Å
252Y95.3Very high91.4Very high52 Ų5254.2 Ų54.220%0.20428%0.276CS..Hα-helixtrans-61.9-45.1172-76-73.5000110.7G244 K246 Q254 K255 E256 I398 D597G244-Y252 WeakPolarHBondContact O-CE1 3.22Å; G244-Y252 PolarHBondContact O-OH 3.47Å; K246-Y252 HydrophobicContact CD-CD2 4.36Å; K246-Y252 HydrophobicContact CD-CE2 4.25Å; K246-Y252 HydrophobicContact CG-CD1 4.03Å; K246-Y252 HydrophobicContact CG-CD2 4.07Å; K246-Y252 HydrophobicContact CG-CE1 3.86Å; K246-Y252 HydrophobicContact CG-CE2 3.9Å; K246-Y252 HydrophobicContact CG-CG 4.13Å; Y252-Q254 VanDerWaalsContact C-N 3.26Å; Y252-Q254 PolarHBondContact O-N 3.35Å; Y252-K255 WeakPolarHBondContact O-CB 3.39Å; Y252-K255 PolarHBondContact O-N 3.02Å; Y252-K255 VanDerWaalsContact O-N 3.1Å; Y252-E256 WeakPolarHBondContact O-CB 3.37Å; Y252-E256 VanDerWaalsContact O-CD 3.24Å; Y252-E256 WeakPolarHBondContact O-CG 3.47Å; Y252-E256 PolarHBondContact O-N 2.69Å; Y252-I398 HydrophobicContact CD1-CB 3.77Å; Y252-I398 HydrophobicContact CD1-CG1 3.88Å; Y252-I398 HydrophobicContact CD1-CG2 4.09Å; Y252-I398 HydrophobicContact CD2-CB 4.16Å; Y252-I398 HydrophobicContact CD2-CG2 3.62Å; Y252-I398 HydrophobicContact CE1-CB 4.22Å; Y252-I398 HydrophobicContact CE1-CG1 3.95Å; Y252-I398 HydrophobicContact CE1-CG2 4.3Å; Y252-I398 HydrophobicContact CE2-CG2 3.85Å; Y252-I398 HydrophobicContact CG-CB 3.73Å; Y252-I398 HydrophobicContact CG-CG1 4.35Å; Y252-I398 HydrophobicContact CG-CG2 3.74Å; Y252-D597 WeakPolarHBondContact CA-OD1 3.46Å; Y252-D597 WeakPolarHBondContact CB-OD1 3.2Å; Y252-D597 VanDerWaalsContact N-CG 3.33Å; Y252-D597 PolarHBondContact N-OD1 3.06Å; Y252-D597 PolarHBondContact N-OD2 2.82Å
253M97.8Very high92.7Very high0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-57.7-39.8177-174.9178.4178.900112.1H251 E256 I257 A401 T403 I490 V596 D597H251-M253 VanDerWaalsContact C-N 3.35Å; M253-E256 PolarHBondContact O-N 2.9Å; M253-I257 HydrophobicContact CE-CD1 4.16Å; M253-I257 HydrophobicContact CG-CD1 4.12Å; M253-I257 VanDerWaalsContact O-CG1 3.28Å; M253-I257 WeakPolarHBondContact O-CG1 3.44Å; M253-I257 PolarHBondContact O-N 2.68Å; M253-A401 HydrophobicContact CE-CB 4.07Å; M253-A401 HydrophobicContact SD-CB 4Å; M253-T403 HydrophobicContact CE-CG2 3.84Å; M253-T403 HydrophobicContact CG-CG2 4.02Å; M253-I490 HydrophobicContact CE-CD1 3.63Å; M253-I490 HydrophobicContact SD-CD1 3.55Å; M253-I490 VanDerWaalsContact SD-CD1 3.55Å; M253-I490 HydrophobicContact SD-CG2 4.38Å; M253-V596 HydrophobicContact CB-CG1 3.88Å; M253-V596 HydrophobicContact CG-CG1 4.38Å; M253-V596 HydrophobicContact SD-CG1 3.76Å; M253-D597 PolarHBondContact N-OD1 3.13Å
254Q98.5Very high94.3Very high36 Ų3648.2 Ų48.217%0.16824%0.238CC..Hα-helixtrans-61.5-50.9175.7-171.4-173.828.400110.8Y249 H251 Y252 E256 I257 Y258 Y586Y249-Q254 HydrophobicContact CD1-CG 3.95Å; H251-Q254 HydrophobicContact CB-CB 4.16Å; H251-Q254 PolarHBondContact O-N 2.99Å; Y252-Q254 VanDerWaalsContact C-N 3.26Å; Y252-Q254 PolarHBondContact O-N 3.35Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 PolarHBondContact O-N 3.49Å; Q254-I257 PolarHBondContact O-N 3.4Å; Q254-Y258 HydrophobicContact CG-CD2 4.21Å; Q254-Y258 HydrophobicContact CG-CE2 4.24Å; Q254-Y258 VanDerWaalsContact O-CD2 3.27Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.47Å; Q254-Y258 PolarHBondContact O-N 2.88Å; Q254-Y258 VanDerWaalsContact O-N 3.14Å; Q254-Y586 HydrophobicContact CB-CE1 4.24Å; Q254-Y586 HydrophobicContact CB-CE2 3.84Å; Q254-Y586 VanDerWaalsContact CD-OH 3.28Å; Q254-Y586 HydrophobicContact CG-CE1 3.95Å; Q254-Y586 HydrophobicContact CG-CE2 4.46Å; Q254-Y586 PolarHBondContact OE1-OH 2.87Å
255K97.6Very high95.9Very high22 Ų2254 Ų5410%0.09626%0.262CS..Hα-helixtrans-53.8-47.5175171.7174.9171.3-74.70111.1D245 Y249 H251 Y252 I257 Y258 E259D245-K255 WeakPolarHBondContact O-CD 2.88Å; D245-K255 WeakPolarHBondContact O-CE 3.38Å; Y249-K255 HydrophobicContact CD2-CB 3.38Å; Y249-K255 HydrophobicContact CD2-CD 4.24Å; Y249-K255 HydrophobicContact CD2-CG 3.66Å; Y249-K255 HydrophobicContact CE2-CB 4.03Å; Y249-K255 HydrophobicContact CE2-CG 3.93Å; Y249-K255 HydrophobicContact CG-CB 3.76Å; H251-K255 PolarHBondContact O-N 3.03Å; H251-K255 VanDerWaalsContact O-N 3.11Å; Y252-K255 WeakPolarHBondContact O-CB 3.39Å; Y252-K255 PolarHBondContact O-N 3.02Å; Y252-K255 VanDerWaalsContact O-N 3.1Å; K255-I257 VanDerWaalsContact C-N 3.35Å; K255-I257 PolarHBondContact O-N 2.96Å; K255-Y258 CarbonylContact O-C 3.59Å; K255-Y258 PolarHBondContact O-N 3.46Å; K255-Y258 VanDerWaalsContact O-N 3.14Å; K255-E259 WeakPolarHBondContact CE-OE1 3.49Å; K255-E259 HydrophobicContact CG-CG 4.07Å; K255-E259 IonicContact NZ-OE1 2.98Å; K255-E259 PolarHBondContact NZ-OE1 2.87Å; K255-E259 IonicContact NZ-OE2 3.73Å; K255-E259 PolarHBondContact NZ-OE2 3.44Å; K255-E259 WeakPolarHBondContact O-CB 3.43Å; K255-E259 WeakPolarHBondContact O-CG 3.3Å; K255-E259 PolarHBondContact O-N 2.85Å
256E98Very high96.8Very high1 Ų151.4 Ų51.41%0.00525%0.248CC..Hα-helixtrans-67.4-35-173.7-68.3157.7179.100112.2Y252 M253 Q254 E259 Q260 E397 I398 G399 T403 K404Y252-E256 WeakPolarHBondContact O-CB 3.37Å; Y252-E256 VanDerWaalsContact O-CD 3.24Å; Y252-E256 WeakPolarHBondContact O-CG 3.47Å; Y252-E256 PolarHBondContact O-N 2.69Å; M253-E256 PolarHBondContact O-N 2.9Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 PolarHBondContact O-N 3.49Å; E256-E259 PolarHBondContact O-N 3.37Å; E256-Q260 WeakPolarHBondContact O-CG 3.41Å; E256-E397 HydrophobicContact CG-CG 4.14Å; E256-E397 WeakPolarHBondContact OE1-CA 3.17Å; E256-E397 WeakPolarHBondContact OE2-CG 3.32Å; E256-I398 PolarHBondContact OE1-N 2.93Å; E256-G399 PolarHBondContact OE1-N 3.37Å; E256-G399 PolarHBondContact OE2-N 2.96Å; E256-T403 WeakPolarHBondContact CB-OG1 3.26Å; E256-K404 HydrophobicContact CB-CD 4.2Å; E256-K404 HydrophobicContact CB-CG 4.31Å; E256-K404 HydrophobicContact CG-CD 4.33Å
257I98.8Very high97.4Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-62.6-46.5170.3-69.2165.8000110.6M253 Q254 K255 E259 Q260 T403 L449 Q582 L583M253-I257 HydrophobicContact CE-CD1 4.16Å; M253-I257 HydrophobicContact CG-CD1 4.12Å; M253-I257 VanDerWaalsContact O-CG1 3.28Å; M253-I257 WeakPolarHBondContact O-CG1 3.44Å; M253-I257 PolarHBondContact O-N 2.68Å; Q254-I257 PolarHBondContact O-N 3.4Å; K255-I257 VanDerWaalsContact C-N 3.35Å; K255-I257 PolarHBondContact O-N 2.96Å; I257-E259 VanDerWaalsContact C-N 3.32Å; I257-E259 PolarHBondContact O-N 3.38Å; I257-Q260 WeakPolarHBondContact O-CB 3.15Å; I257-Q260 VanDerWaalsContact O-CG 3.24Å; I257-Q260 WeakPolarHBondContact O-CG 3.26Å; I257-Q260 PolarHBondContact O-N 3.3Å; I257-Q260 PolarHBondContact O-NE2 2.94Å; I257-T403 HydrophobicContact CD1-CG2 4.3Å; I257-T403 HydrophobicContact CG1-CG2 3.69Å; I257-L449 HydrophobicContact CG2-CD2 3.82Å; I257-Q582 HydrophobicContact CD1-CB 3.91Å; I257-Q582 HydrophobicContact CG1-CB 4.07Å; I257-L583 HydrophobicContact CD1-CD2 4.5Å; I257-L583 HydrophobicContact CG2-CD2 3.66Å; I257-L583 HydrophobicContact CG2-CG 4.13Å
258Y98.6Very high97.8Very high60 Ų6046.8 Ų46.824%0.23521%0.213CC..Hα-helixtrans-75.3-19-177.9-83.4-100000113.6Y249 Q254 K255 Q260 P261 L449 D452 L583Y249-Y258 HydrophobicContact CE1-CD1 4.17Å; Y249-Y258 HydrophobicContact CE1-CD2 4.12Å; Y249-Y258 AromaticContact CE1-CG 3.72Å; Y249-Y258 HydrophobicContact CE1-CG 3.72Å; Y249-Y258 WeakPolarHBondContact OH-CB 3.45Å; Q254-Y258 HydrophobicContact CG-CD2 4.21Å; Q254-Y258 HydrophobicContact CG-CE2 4.24Å; Q254-Y258 VanDerWaalsContact O-CD2 3.27Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.47Å; Q254-Y258 PolarHBondContact O-N 2.88Å; Q254-Y258 VanDerWaalsContact O-N 3.14Å; K255-Y258 CarbonylContact O-C 3.59Å; K255-Y258 PolarHBondContact O-N 3.46Å; K255-Y258 VanDerWaalsContact O-N 3.14Å; Y258-Q260 VanDerWaalsContact C-N 3.31Å; Y258-P261 WeakPolarHBondContact O-CD 3.44Å; Y258-L449 HydrophobicContact CD1-CD1 4.23Å; Y258-L449 HydrophobicContact CD1-CD2 4.38Å; Y258-L449 HydrophobicContact CD2-CD2 4.45Å; Y258-L449 HydrophobicContact CE1-CB 4.36Å; Y258-L449 HydrophobicContact CG-CD2 4.37Å; Y258-D452 WeakPolarHBondContact OH-CB 3.44Å; Y258-D452 PolarHBondContact OH-OD2 2.62Å; Y258-L583 HydrophobicContact CE2-CD2 4.15Å
259E98.2Very high98Very high55 Ų5543.8 Ų43.826%0.25720%0.202SC..THydrogen-bonded Turntrans-77.5-13174.5-82.8-174.4149.500113.6K255 E256 I257 N262 A263 K404K255-E259 WeakPolarHBondContact CE-OE1 3.49Å; K255-E259 HydrophobicContact CG-CG 4.07Å; K255-E259 IonicContact NZ-OE1 2.98Å; K255-E259 PolarHBondContact NZ-OE1 2.87Å; K255-E259 IonicContact NZ-OE2 3.73Å; K255-E259 PolarHBondContact NZ-OE2 3.44Å; K255-E259 WeakPolarHBondContact O-CB 3.43Å; K255-E259 WeakPolarHBondContact O-CG 3.3Å; K255-E259 PolarHBondContact O-N 2.85Å; E256-E259 PolarHBondContact O-N 3.37Å; I257-E259 VanDerWaalsContact C-N 3.32Å; I257-E259 PolarHBondContact O-N 3.38Å; E259-N262 PolarHBondContact O-N 3.17Å; E259-A263 PolarHBondContact O-N 3.11Å; E259-K404 HydrophobicContact CB-CD 4.42Å; E259-K404 IonicContact OE2-NZ 2.7Å; E259-K404 PolarHBondContact OE2-NZ 3.01Å
260Q98.8Very high98Very high0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-52.8-43-173.1-71.1-179.1100.200115.1E256 I257 Y258 N262 A263 I264 K404 T407 I445E256-Q260 WeakPolarHBondContact O-CG 3.41Å; I257-Q260 WeakPolarHBondContact O-CB 3.15Å; I257-Q260 VanDerWaalsContact O-CG 3.24Å; I257-Q260 WeakPolarHBondContact O-CG 3.26Å; I257-Q260 PolarHBondContact O-N 3.3Å; I257-Q260 PolarHBondContact O-NE2 2.94Å; Y258-Q260 VanDerWaalsContact C-N 3.31Å; Q260-N262 VanDerWaalsContact C-N 3.3Å; Q260-N262 PolarHBondContact O-N 2.87Å; Q260-A263 PolarHBondContact O-N 2.71Å; Q260-I264 WeakPolarHBondContact O-CB 3.45Å; Q260-I264 WeakPolarHBondContact O-CG1 3.43Å; Q260-I264 PolarHBondContact O-N 3.47Å; Q260-K404 HydrophobicContact CG-CB 3.83Å; Q260-T407 PolarHBondContact OE1-OG1 3Å; Q260-I445 HydrophobicContact CB-CG2 4.07Å
261P98.8Very high98.1Very high19 Ų1935 Ų3512%0.12319%0.188CC..Hα-helixtrans-54.5-45.7174.4-27.535.7000112.9Y258 K265 I445 E446 L449Y258-P261 WeakPolarHBondContact O-CD 3.44Å; P261-K265 WeakPolarHBondContact O-CB 3.32Å; P261-K265 PolarHBondContact O-N 2.9Å; P261-K265 VanDerWaalsContact O-N 3.1Å; P261-I445 HydrophobicContact CG-CB 4.23Å; P261-I445 HydrophobicContact CG-CG2 3.78Å; P261-E446 HydrophobicContact CG-CB 4.19Å; P261-L449 HydrophobicContact CG-CD1 3.9Å
262N98.4Very high98.2Very high90 Ų9035.7 Ų35.748%0.48119%0.193SC..Hα-helixtrans-75.8-37.6-179.3-168.664.6000112E259 Q260 I264 K265 N266E259-N262 PolarHBondContact O-N 3.17Å; Q260-N262 VanDerWaalsContact C-N 3.3Å; Q260-N262 PolarHBondContact O-N 2.87Å; N262-I264 VanDerWaalsContact C-N 3.35Å; N262-I264 PolarHBondContact O-N 3.38Å; N262-K265 WeakPolarHBondContact O-CB 3.28Å; N262-K265 PolarHBondContact O-N 3.28Å; N262-N266 VanDerWaalsContact O-CG 3.26Å; N262-N266 PolarHBondContact O-N 3.27Å; N262-N266 PolarHBondContact O-ND2 2.95Å
263A98.2Very high98.3Very high3 Ų335.4 Ų35.43%0.02520%0.198CC..Hα-helixtrans-58.5-47.317500000111E259 Q260 N266 T267 A394 K404 T408E259-A263 PolarHBondContact O-N 3.11Å; Q260-A263 PolarHBondContact O-N 2.71Å; A263-N266 WeakPolarHBondContact O-CB 3.39Å; A263-N266 PolarHBondContact O-N 3.02Å; A263-T267 PolarHBondContact O-N 3.21Å; A263-T267 PolarHBondContact O-OG1 2.89Å; A263-A394 HydrophobicContact CB-CB 4.2Å; A263-K404 HydrophobicContact CB-CB 4.2Å; A263-K404 HydrophobicContact CB-CD 4.43Å; A263-T408 HydrophobicContact CB-CG2 3.93Å
264I98.8Very high98.2Very high0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-65.1-41177.2-69.4164.3000111Q260 N262 N266 T267 L268 T408 T411 L441 P442 I445Q260-I264 WeakPolarHBondContact O-CB 3.45Å; Q260-I264 WeakPolarHBondContact O-CG1 3.43Å; Q260-I264 PolarHBondContact O-N 3.47Å; N262-I264 VanDerWaalsContact C-N 3.35Å; N262-I264 PolarHBondContact O-N 3.38Å; I264-N266 VanDerWaalsContact C-N 3.26Å; I264-N266 PolarHBondContact O-N 2.96Å; I264-T267 WeakPolarHBondContact O-CB 3.36Å; I264-T267 PolarHBondContact O-N 3.42Å; I264-T267 VanDerWaalsContact O-N 3.07Å; I264-L268 HydrophobicContact CG2-CD1 4.15Å; I264-L268 HydrophobicContact CG2-CG 4.46Å; I264-L268 WeakPolarHBondContact O-CG 3.09Å; I264-L268 PolarHBondContact O-N 3.32Å; I264-T408 HydrophobicContact CG1-CG2 4.04Å; I264-T411 HydrophobicContact CG2-CG2 4.23Å; I264-L441 HydrophobicContact CD1-CD2 4.08Å; I264-L441 HydrophobicContact CD1-CG 4.14Å; I264-L441 HydrophobicContact CG2-CD2 3.97Å; I264-L441 HydrophobicContact CG2-CG 4.23Å; I264-P442 HydrophobicContact CG2-CG 4.03Å; I264-I445 HydrophobicContact CD1-CD1 3.2Å
265K98.6Very high98Very high130 Ų13044.4 Ų44.457%0.56525%0.25SS*.Hα-helixtrans-56.7-41.5173.5-170.6-176.2-178.2-178.10112P261 N262 L268 T269P261-K265 WeakPolarHBondContact O-CB 3.32Å; P261-K265 PolarHBondContact O-N 2.9Å; P261-K265 VanDerWaalsContact O-N 3.1Å; N262-K265 WeakPolarHBondContact O-CB 3.28Å; N262-K265 PolarHBondContact O-N 3.28Å; K265-L268 PolarHBondContact O-N 3.29Å; K265-T269 PolarHBondContact O-N 3.35Å; K265-T269 PolarHBondContact O-OG1 2.93Å
266N98.1Very high98.1Very high64 Ų6447.9 Ų47.934%0.34227%0.267SS..Hα-helixtrans-67.3-39.2175-65.1-23.6000111.7N262 A263 I264 L268 T269 N393N262-N266 VanDerWaalsContact O-CG 3.26Å; N262-N266 PolarHBondContact O-N 3.27Å; N262-N266 PolarHBondContact O-ND2 2.95Å; A263-N266 WeakPolarHBondContact O-CB 3.39Å; A263-N266 PolarHBondContact O-N 3.02Å; I264-N266 VanDerWaalsContact C-N 3.26Å; I264-N266 PolarHBondContact O-N 2.96Å; N266-L268 VanDerWaalsContact C-N 3.26Å; N266-L268 PolarHBondContact O-N 2.87Å; N266-T269 WeakPolarHBondContact O-CB 3.47Å; N266-T269 PolarHBondContact O-N 3.39Å; N266-T269 VanDerWaalsContact O-N 3.17Å; N266-N393 HydrophobicContact CB-CB 4.49Å; N266-N393 WeakPolarHBondContact CB-O 3.48Å
267T98.7Very high98.1Very high0 Ų047.9 Ų47.90%027%0.267CS..Hα-helixtrans-59.3-36.5175.2-51.10000112.8A263 I264 R271 T392 T408 T411 V412 M415A263-T267 PolarHBondContact O-N 3.21Å; A263-T267 PolarHBondContact O-OG1 2.89Å; I264-T267 WeakPolarHBondContact O-CB 3.36Å; I264-T267 PolarHBondContact O-N 3.42Å; I264-T267 VanDerWaalsContact O-N 3.07Å; T267-R271 WeakPolarHBondContact O-CD 3.44Å; T267-R271 PolarHBondContact O-NH1 2.89Å; T267-T392 WeakPolarHBondContact CA-O 3.45Å; T267-T392 VanDerWaalsContact CB-O 3.3Å; T267-T392 WeakPolarHBondContact CB-O 3.34Å; T267-T392 WeakPolarHBondContact CG2-O 3.42Å; T267-T392 PolarHBondContact OG1-O 2.89Å; T267-T408 WeakPolarHBondContact OG1-CB 3.4Å; T267-T408 WeakPolarHBondContact OG1-CG2 3.45Å; T267-T411 HydrophobicContact CG2-CG2 3.75Å; T267-V412 HydrophobicContact CG2-CG2 3.43Å; T267-V412 VanDerWaalsContact CG2-CG2 3.43Å; T267-M415 HydrophobicContact CG2-CE 4.09Å
268L98.7Very high98.1Very high21 Ų2150.3 Ų50.311%0.1128%0.28CS..Hα-helixtrans-81.5-15179.4-62.5173.5000113.5I264 K265 N266 G270 R271 I272 T411 M415 L438I264-L268 HydrophobicContact CG2-CD1 4.15Å; I264-L268 HydrophobicContact CG2-CG 4.46Å; I264-L268 WeakPolarHBondContact O-CG 3.09Å; I264-L268 PolarHBondContact O-N 3.32Å; K265-L268 PolarHBondContact O-N 3.29Å; N266-L268 VanDerWaalsContact C-N 3.26Å; N266-L268 PolarHBondContact O-N 2.87Å; L268-G270 PolarHBondContact O-N 3.26Å; L268-R271 PolarHBondContact O-N 2.78Å; L268-I272 HydrophobicContact CD2-CG1 4.46Å; L268-T411 HydrophobicContact CD2-CG2 3.7Å; L268-T411 HydrophobicContact CG-CG2 4.2Å; L268-M415 HydrophobicContact CD2-CE 4.45Å; L268-M415 HydrophobicContact CD2-SD 3.88Å; L268-L438 VanDerWaalsContact CD1-O 3.29Å; L268-L438 WeakPolarHBondContact CD1-O 3.46Å; L268-L438 HydrophobicContact CD2-CB 4.06Å; L268-L438 HydrophobicContact CD2-CD1 4.23Å
269T98.3Very high98.1Very high94 Ų9447.6 Ų47.658%0.57727%0.27SS*.THydrogen-bonded Turntrans-61.5124.5-173.8-67.40000110.9K265 N266 R271K265-T269 PolarHBondContact O-N 3.35Å; K265-T269 PolarHBondContact O-OG1 2.93Å; N266-T269 WeakPolarHBondContact O-CB 3.47Å; N266-T269 PolarHBondContact O-N 3.39Å; N266-T269 VanDerWaalsContact O-N 3.17Å; T269-R271 PolarHBondContact O-N 3.13Å
270G97.6Very high98Very high63 Ų6348.9 Ų48.965%0.64929%0.285SS*.THydrogen-bonded Turntrans74.2-1.2-178.900000115.1L268L268-G270 PolarHBondContact O-N 3.26Å
271R98.7Very high98Very high0 Ų053.5 Ų53.50%031%0.306CS..THydrogen-bonded Turntrans-107.5-0.7-177.2-65.3-176.9179.7150.9-9.5115T267 L268 T269 V277 D278 E281 M391 M415T267-R271 WeakPolarHBondContact O-CD 3.44Å; T267-R271 PolarHBondContact O-NH1 2.89Å; L268-R271 PolarHBondContact O-N 2.78Å; T269-R271 PolarHBondContact O-N 3.13Å; R271-V277 WeakPolarHBondContact O-CA 3.4Å; R271-D278 VanDerWaalsContact CA-O 3.3Å; R271-D278 WeakPolarHBondContact CA-O 3.35Å; R271-D278 PolarHBondContact O-N 3.45Å; R271-E281 IonicContact CZ-OE1 3.13Å; R271-E281 IonicContact CZ-OE2 3.97Å; R271-E281 IonicContact NE-OE1 3.78Å; R271-E281 IonicContact NE-OE2 2.88Å; R271-E281 PolarHBondContact NE-OE2 3.43Å; R271-E281 IonicContact NH2-OE1 2.67Å; R271-E281 PolarHBondContact NH2-OE1 3.49Å; R271-E281 IonicContact NH2-OE2 3.03Å; R271-E281 PolarHBondContact NH2-OE2 2.92Å; R271-M391 VanDerWaalsContact CZ-O 3.22Å; R271-M391 PolarHBondContact NH1-O 2.95Å; R271-M391 PolarHBondContact NH2-O 3.16Å; R271-M415 HydrophobicContact CB-CE 4.47Å; R271-M415 HydrophobicContact CB-SD 3.73Å
272I98.2Very high98Very high40 Ų4053.6 Ų53.621%0.20531%0.305CS..EExtended strand (participates in β ladder)trans-120.2118.2171.7-53.2-64.4000107.8L268 Q276 V277 M415 V435L268-I272 HydrophobicContact CD2-CG1 4.46Å; I272-Q276 WeakPolarHBondContact CA-O 3.35Å; I272-V277 HydrophobicContact CD1-CG2 4.19Å; I272-M415 HydrophobicContact CD1-SD 4.47Å; I272-V435 HydrophobicContact CD1-CG1 4.31Å; I272-V435 HydrophobicContact CD1-CG2 4.18Å; I272-V435 HydrophobicContact CG2-CG1 3.8Å
273S97.4Very high97.8Very high46 Ų4650.6 Ų50.632%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-137.3125.9-177.4-175.50000109.7G275 Q276S273-G275 PolarHBondContact O-N 3.42Å; S273-G275 VanDerWaalsContact O-N 3.13Å; S273-Q276 PolarHBondContact N-O 3.11Å; S273-Q276 PolarHBondContact O-N 2.94Å
274H95.4Very high97.7Very high186 Ų18656.8 Ų56.886%0.86134%0.336SS*.THydrogen-bonded Turntrans51.236.7179.9-5881.5000114.1Q276H274-Q276 VanDerWaalsContact C-N 3.27Å; H274-Q276 PolarHBondContact O-N 3.14Å
275G95.1Very high97.5Very high39 Ų3962.6 Ų62.640%0.40237%0.367SS..THydrogen-bonded Turntrans75.59.8-179.100000115S273S273-G275 PolarHBondContact O-N 3.42Å; S273-G275 VanDerWaalsContact O-N 3.13Å
276Q97.8Very high97.5Very high94 Ų9456.6 Ų56.644%0.43934%0.342SS..EExtended strand (participates in β ladder)trans-119.4159176.8-63.5178.61600110.8I272 S273 H274I272-Q276 WeakPolarHBondContact CA-O 3.35Å; S273-Q276 PolarHBondContact N-O 3.11Å; S273-Q276 PolarHBondContact O-N 2.94Å; H274-Q276 VanDerWaalsContact C-N 3.27Å; H274-Q276 PolarHBondContact O-N 3.14Å
277V98.6Very high97.5Very high2 Ų256.5 Ų56.51%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-75.2127.1170.5178.40000109.7R271 I272 L279 M415 A418 K419 R422 E431 V435R271-V277 WeakPolarHBondContact O-CA 3.4Å; I272-V277 HydrophobicContact CD1-CG2 4.19Å; V277-L279 HydrophobicContact CG1-CD2 3.87Å; V277-L279 HydrophobicContact CG1-CG 3.86Å; V277-M415 HydrophobicContact CG1-CB 3.88Å; V277-M415 HydrophobicContact CG1-CG 4.3Å; V277-M415 HydrophobicContact CG2-CB 4.37Å; V277-M415 HydrophobicContact CG2-CG 4.31Å; V277-A418 HydrophobicContact CB-CB 4.5Å; V277-A418 HydrophobicContact CG2-CB 3.72Å; V277-K419 HydrophobicContact CG1-CB 4.5Å; V277-R422 PolarHBondContact O-NH2 2.85Å; V277-R422 VanDerWaalsContact O-NH2 3.15Å; V277-E431 PolarHBondContact N-OE1 3.31Å; V277-V435 HydrophobicContact CG2-CG2 3.81Å
278D98.5Very high97.4Very high51 Ų5161.8 Ų61.827%0.27337%0.366SS..  trans-112105.9176.3-173.5-2.6000110R271 S280R271-D278 VanDerWaalsContact CA-O 3.3Å; R271-D278 WeakPolarHBondContact CA-O 3.35Å; R271-D278 PolarHBondContact O-N 3.45Å; D278-S280 WeakPolarHBondContact OD1-CB 3.49Å; D278-S280 PolarHBondContact OD1-N 3.49Å; D278-S280 PolarHBondContact OD1-OG 2.89Å; D278-S280 PolarHBondContact OD2-OG 3.38Å
279L98.4Very high97.4Very high3 Ų362.7 Ų62.72%0.01637%0.371CS..  trans-107.330.1173.4-56.9-173.2000111.6V277 E281 L282 L390 L416 K419V277-L279 HydrophobicContact CG1-CD2 3.87Å; V277-L279 HydrophobicContact CG1-CG 3.86Å; L279-E281 PolarHBondContact O-N 3.26Å; L279-E281 VanDerWaalsContact O-N 3.1Å; L279-L282 HydrophobicContact CB-CD1 4.09Å; L279-L282 HydrophobicContact CB-CG 4.42Å; L279-L282 HydrophobicContact CD1-CD1 4.41Å; L279-L282 WeakPolarHBondContact O-CB 3.46Å; L279-L282 PolarHBondContact O-N 3.09Å; L279-L282 VanDerWaalsContact O-N 3.08Å; L279-L390 HydrophobicContact CD1-CD1 4.15Å; L279-L390 HydrophobicContact CD2-CD2 4.1Å; L279-L416 HydrophobicContact CD1-CD1 4.05Å; L279-K419 HydrophobicContact CD1-CB 3.92Å; L279-K419 HydrophobicContact CD1-CG 3.97Å; L279-K419 HydrophobicContact CG-CB 4.46Å; L279-K419 HydrophobicContact CG-CG 4.42Å
280S97.8Very high97.4Very high82 Ų8258.4 Ų58.457%0.57334%0.344SS*.G310 helixtrans-59.5-18.6178.855.60000113.9D278 L282 G283D278-S280 WeakPolarHBondContact OD1-CB 3.49Å; D278-S280 PolarHBondContact OD1-N 3.49Å; D278-S280 PolarHBondContact OD1-OG 2.89Å; D278-S280 PolarHBondContact OD2-OG 3.38Å; S280-L282 PolarHBondContact O-N 3.31Å; S280-G283 PolarHBondContact O-N 3.16Å
281E97.9Very high97.4Very high96 Ų9658.7 Ų58.745%0.44934%0.336SS..G310 helixtrans-58.1-23.717269.9-178.9-116.400113.7R271 L279 G283 L390R271-E281 IonicContact CZ-OE1 3.13Å; R271-E281 IonicContact CZ-OE2 3.97Å; R271-E281 IonicContact NE-OE1 3.78Å; R271-E281 IonicContact NE-OE2 2.88Å; R271-E281 PolarHBondContact NE-OE2 3.43Å; R271-E281 IonicContact NH2-OE1 2.67Å; R271-E281 PolarHBondContact NH2-OE1 3.49Å; R271-E281 IonicContact NH2-OE2 3.03Å; R271-E281 PolarHBondContact NH2-OE2 2.92Å; L279-E281 PolarHBondContact O-N 3.26Å; L279-E281 VanDerWaalsContact O-N 3.1Å; E281-G283 PolarHBondContact O-N 2.77Å; E281-L390 HydrophobicContact CG-CD2 4.07Å; E281-L390 WeakPolarHBondContact OE1-CD2 3.31Å
282L98.1Very high97.4Very high21 Ų2163.3 Ų63.311%0.1136%0.356CS..G310 helixtrans-71.1-9.9174.8-65.4-179.4000113.1L279 S280 A286 L290 L372 L388 A389 L390L279-L282 HydrophobicContact CB-CD1 4.09Å; L279-L282 HydrophobicContact CB-CG 4.42Å; L279-L282 HydrophobicContact CD1-CD1 4.41Å; L279-L282 WeakPolarHBondContact O-CB 3.46Å; L279-L282 PolarHBondContact O-N 3.09Å; L279-L282 VanDerWaalsContact O-N 3.08Å; S280-L282 PolarHBondContact O-N 3.31Å; L282-A286 HydrophobicContact CB-CB 3.4Å; L282-A286 HydrophobicContact CD1-CB 4.32Å; L282-L290 HydrophobicContact CD1-CD1 4.23Å; L282-L372 HydrophobicContact CD2-CD1 4.32Å; L282-L388 HydrophobicContact CB-CD2 4.29Å; L282-L388 HydrophobicContact CD2-CB 4.1Å; L282-L388 HydrophobicContact CD2-CD2 4.41Å; L282-A389 WeakPolarHBondContact CD2-O 3.48Å; L282-L390 HydrophobicContact CD1-CD2 4.27Å; L282-L390 HydrophobicContact CD1-CG 4.49Å; L282-L390 HydrophobicContact CD2-CD2 3.78Å; L282-L390 HydrophobicContact CD2-CG 3.97Å; L282-L390 HydrophobicContact CG-CD2 3.96Å; L282-L390 HydrophobicContact CG-CG 4.49Å
283G95.9Very high97.4Very high28 Ų2861.9 Ų61.929%0.28935%0.349SS..  trans94168.1177.700000114.2S280 E281 N285 A286S280-G283 PolarHBondContact O-N 3.16Å; E281-G283 PolarHBondContact O-N 2.77Å; G283-N285 PolarHBondContact O-N 3.48Å; G283-N285 VanDerWaalsContact O-N 3.11Å; G283-A286 WeakPolarHBondContact O-CB 3.42Å; G283-A286 PolarHBondContact O-N 3.2Å; G283-A286 VanDerWaalsContact O-N 3.16Å
284P95.3Very high97.5Very high132 Ų13263.4 Ų63.486%0.85735%0.351SS*.THydrogen-bonded Turntrans-62.2-25.4-167.8-24.734.3000115.5
285N95.3Very high97.6Very high122 Ų12254.9 Ų54.965%0.65231%0.312SS*.THydrogen-bonded Turntrans-96.6-1.1-175.9-60.7-25.1000113.1G283 D287 E288 L289G283-N285 PolarHBondContact O-N 3.48Å; G283-N285 VanDerWaalsContact O-N 3.11Å; N285-D287 PolarHBondContact O-N 3.03Å; N285-E288 WeakPolarHBondContact O-CB 3.46Å; N285-E288 PolarHBondContact O-N 3.41Å; N285-L289 PolarHBondContact O-N 3.35Å
286A97.5Very high97.8Very high5 Ų553 Ų534%0.04129%0.293CS..Hα-helixtrans-61.7-43.3-175.600000112.1L282 G283 E288 L289 L290L282-A286 HydrophobicContact CB-CB 3.4Å; L282-A286 HydrophobicContact CD1-CB 4.32Å; G283-A286 WeakPolarHBondContact O-CB 3.42Å; G283-A286 PolarHBondContact O-N 3.2Å; G283-A286 VanDerWaalsContact O-N 3.16Å; A286-E288 PolarHBondContact O-N 3Å; A286-L289 PolarHBondContact O-N 3.25Å; A286-L289 VanDerWaalsContact O-N 3.1Å; A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 VanDerWaalsContact O-CG 3.3Å; A286-L290 WeakPolarHBondContact O-CG 3.39Å; A286-L290 PolarHBondContact O-N 3.38Å
287D97.4Very high97.9Very high62 Ų6248.6 Ų48.633%0.33227%0.272SS..Hα-helixtrans-61.8-29.6179.1-78.17.8000112.5N285 S291 K419 L423N285-D287 PolarHBondContact O-N 3.03Å; D287-S291 WeakPolarHBondContact O-CB 3.47Å; D287-S291 PolarHBondContact O-N 3.37Å; D287-S291 PolarHBondContact O-OG 3.05Å; D287-K419 WeakPolarHBondContact OD1-CE 3.32Å; D287-K419 IonicContact OD1-NZ 3.87Å; D287-K419 PolarHBondContact OD1-NZ 3.31Å; D287-K419 IonicContact OD2-NZ 3.06Å; D287-K419 PolarHBondContact OD2-NZ 2.78Å; D287-L423 HydrophobicContact CB-CD2 4.31Å
288E97.3Very high97.9Very high110 Ų11048.5 Ų48.551%0.51427%0.272SS..Hα-helixtrans-69.1-37.7176.3-159.2-157.213800112N285 A286 S291 K292N285-E288 WeakPolarHBondContact O-CB 3.46Å; N285-E288 PolarHBondContact O-N 3.41Å; A286-E288 PolarHBondContact O-N 3Å; E288-S291 PolarHBondContact O-OG 2.92Å; E288-S291 VanDerWaalsContact O-OG 3.12Å; E288-K292 WeakPolarHBondContact O-CD 3.46Å; E288-K292 VanDerWaalsContact O-CE 3.29Å; E288-K292 WeakPolarHBondContact O-CE 3.22Å; E288-K292 WeakPolarHBondContact O-CG 3.29Å; E288-K292 IonicContact OE1-NZ 2.84Å; E288-K292 PolarHBondContact OE1-NZ 3.44Å
289L98.1Very high97.9Very high41 Ų4146.1 Ų46.122%0.21526%0.259CS..Hα-helixtrans-72.5-48.8174.4-176.5150.2000110.5N285 A286 S291 K292 L343 L388N285-L289 PolarHBondContact O-N 3.35Å; A286-L289 PolarHBondContact O-N 3.25Å; A286-L289 VanDerWaalsContact O-N 3.1Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.07Å; L289-K292 PolarHBondContact O-N 3.18Å; L289-K292 VanDerWaalsContact O-N 3.13Å; L289-L343 HydrophobicContact CD2-CD1 4Å; L289-L388 HydrophobicContact CD2-CD1 4.33Å
290L98.4Very high97.9Very high4 Ų446 Ų462%0.02126%0.258CS..Hα-helixtrans-65.1-33.2-175.6-66.1178000112.6L282 A286 K292 V293 L343 L420 L423L282-L290 HydrophobicContact CD1-CD1 4.23Å; A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 VanDerWaalsContact O-CG 3.3Å; A286-L290 WeakPolarHBondContact O-CG 3.39Å; A286-L290 PolarHBondContact O-N 3.38Å; L290-K292 PolarHBondContact O-N 3.05Å; L290-V293 WeakPolarHBondContact O-CB 3.36Å; L290-V293 WeakPolarHBondContact O-CG2 3.48Å; L290-V293 PolarHBondContact O-N 3.22Å; L290-L343 HydrophobicContact CD2-CD2 4.11Å; L290-L420 HydrophobicContact CB-CD2 3.94Å; L290-L420 HydrophobicContact CD2-CD2 4.27Å; L290-L423 HydrophobicContact CB-CD1 3.55Å; L290-L423 HydrophobicContact CD1-CD1 4.47Å
291S97.8Very high97.9Very high68 Ų6843.5 Ų43.548%0.47624%0.241SC..THydrogen-bonded Turntrans-68.5-18.2176560000114.3D287 E288 L289D287-S291 WeakPolarHBondContact O-CB 3.47Å; D287-S291 PolarHBondContact O-N 3.37Å; D287-S291 PolarHBondContact O-OG 3.05Å; E288-S291 PolarHBondContact O-OG 2.92Å; E288-S291 VanDerWaalsContact O-OG 3.12Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.07Å
292K98.4Very high97.9Very high97 Ų9741 Ų4142%0.42224%0.24SC..THydrogen-bonded Turntrans-86.1-8.7176.5-64.6168-169.6165.70112.8E288 L289 L290 E294 N341 L369E288-K292 WeakPolarHBondContact O-CD 3.46Å; E288-K292 VanDerWaalsContact O-CE 3.29Å; E288-K292 WeakPolarHBondContact O-CE 3.22Å; E288-K292 WeakPolarHBondContact O-CG 3.29Å; E288-K292 IonicContact OE1-NZ 2.84Å; E288-K292 PolarHBondContact OE1-NZ 3.44Å; L289-K292 PolarHBondContact O-N 3.18Å; L289-K292 VanDerWaalsContact O-N 3.13Å; L290-K292 PolarHBondContact O-N 3.05Å; K292-E294 PolarHBondContact O-N 3.43Å; K292-N341 WeakPolarHBondContact O-CB 3.37Å; K292-L369 HydrophobicContact CB-CD1 4.09Å
293V98.7Very high97.9Very high10 Ų1040.5 Ų40.56%0.06124%0.238CC..  trans-69.3120.1-173.2178.10000110.8L290 H295 I296 L343 L369L290-V293 WeakPolarHBondContact O-CB 3.36Å; L290-V293 WeakPolarHBondContact O-CG2 3.48Å; L290-V293 PolarHBondContact O-N 3.22Å; V293-H295 WeakPolarHBondContact CG1-O 3.49Å; V293-I296 HydrophobicContact CG1-CG1 3.97Å; V293-L343 HydrophobicContact CG1-CB 3.95Å; V293-L343 HydrophobicContact CG2-CB 3.9Å; V293-L343 HydrophobicContact CG2-CD2 4.32Å; V293-L369 HydrophobicContact CG2-CD1 4.18Å
294E98.7Very high98.1Very high78 Ų7839.7 Ų39.736%0.36423%0.228SC..SBendtrans-110.5-14.7174.2-64177-156.800112.5K292 P322 R340 N341K292-E294 PolarHBondContact O-N 3.43Å; E294-P322 WeakPolarHBondContact O-CD 3.02Å; E294-R340 IonicContact OE1-CZ 3.81Å; E294-R340 IonicContact OE1-NE 2.77Å; E294-R340 IonicContact OE1-NH2 3.66Å; E294-R340 PolarHBondContact OE1-NH2 3.3Å; E294-R340 IonicContact OE2-CZ 2.79Å; E294-R340 IonicContact OE2-NE 2.69Å; E294-R340 PolarHBondContact OE2-NE 3.3Å; E294-R340 IonicContact OE2-NH2 2.96Å; E294-R340 PolarHBondContact OE2-NH2 2.62Å; E294-N341 HydrophobicContact CB-CB 3.89Å; E294-N341 HydrophobicContact CG-CB 3.8Å; E294-N341 PolarHBondContact N-O 3.01Å; E294-N341 PolarHBondContact OE1-ND2 3.07Å
295H98.9Very high98.2Very high7 Ų735.6 Ų35.63%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-149.6146.5-178.1173.8-89.7000110.3V293 D324 R339 N341 S342 L343V293-H295 WeakPolarHBondContact CG1-O 3.49Å; H295-D324 IonicContact CD2-OD2 3.46Å; H295-D324 IonicContact CE1-OD2 3.79Å; H295-D324 IonicContact NE2-OD2 3.78Å; H295-D324 PolarHBondContact NE2-OD2 2.79Å; H295-R339 HydrophobicContact CB-CB 3.91Å; H295-R339 PolarHBondContact NE2-NE 3.32Å; H295-N341 PolarHBondContact N-O 3.34Å; H295-S342 WeakPolarHBondContact ND1-CB 3.48Å; H295-S342 PolarHBondContact ND1-OG 3.16Å; H295-S342 CarbonylContact O-C 3.55Å; H295-S342 VanDerWaalsContact O-CA 3.27Å; H295-S342 WeakPolarHBondContact O-CA 3.48Å; H295-L343 PolarHBondContact O-N 3.23Å
296I98.9Very high98.4Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-119125.5174.9-64.9169.9000109V293 I298 F315 I321 P322 C323 D324 I345 L420V293-I296 HydrophobicContact CG1-CG1 3.97Å; I296-I298 HydrophobicContact CG2-CD1 4.34Å; I296-I298 HydrophobicContact CG2-CG1 3.8Å; I296-F315 HydrophobicContact CD1-CB 4.44Å; I296-F315 HydrophobicContact CD1-CD1 3.41Å; I296-F315 VanDerWaalsContact CD1-CD1 3.41Å; I296-F315 HydrophobicContact CD1-CD2 4.21Å; I296-F315 HydrophobicContact CD1-CE1 3.59Å; I296-F315 HydrophobicContact CD1-CE2 4.35Å; I296-F315 HydrophobicContact CD1-CG 3.77Å; I296-F315 HydrophobicContact CD1-CZ 4.08Å; I296-I321 HydrophobicContact CD1-CB 4.49Å; I296-I321 HydrophobicContact CD1-CG2 3.87Å; I296-I321 HydrophobicContact CG1-CG2 3.92Å; I296-P322 PolarHBondContact N-O 3.12Å; I296-C323 HydrophobicContact CB-CB 4.39Å; I296-C323 WeakPolarHBondContact O-CA 3.42Å; I296-D324 PolarHBondContact O-N 2.97Å; I296-I345 HydrophobicContact CG2-CD1 3.6Å; I296-I345 HydrophobicContact CG2-CG1 4.1Å; I296-L420 HydrophobicContact CD1-CD1 3.74Å
297Q98.9Very high98.5Very high2 Ų230.1 Ų30.11%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-106126.3166.1179.167.966.500108.6L299 D324 L343 M344 I345 Y368Q297-L299 HydrophobicContact CG-CD2 4.26Å; Q297-L299 HydrophobicContact CG-CG 4.41Å; Q297-D324 CarbonylContact C-O 3.59Å; Q297-D324 WeakPolarHBondContact CA-O 3.32Å; Q297-D324 PolarHBondContact NE2-O 2.87Å; Q297-L343 PolarHBondContact N-O 3.33Å; Q297-M344 HydrophobicContact CB-CE 4.26Å; Q297-M344 HydrophobicContact CB-SD 4.47Å; Q297-M344 HydrophobicContact CG-CE 3.72Å; Q297-M344 HydrophobicContact CG-SD 4.15Å; Q297-I345 PolarHBondContact O-N 2.61Å; Q297-Y368 HydrophobicContact CB-CE1 3.72Å; Q297-Y368 HydrophobicContact CG-CE1 4.22Å
298I99Very high98.6Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-109.6130.3173.2-50.9-172.1000109.2I296 S311 F315 D324 V325 E326 I345 L347 L413I296-I298 HydrophobicContact CG2-CD1 4.34Å; I296-I298 HydrophobicContact CG2-CG1 3.8Å; I298-S311 VanDerWaalsContact CD1-OG 3.29Å; I298-S311 WeakPolarHBondContact CD1-OG 3.34Å; I298-F315 HydrophobicContact CD1-CE2 4.12Å; I298-D324 PolarHBondContact N-O 3.41Å; I298-V325 HydrophobicContact CB-CB 4.41Å; I298-V325 HydrophobicContact CB-CG1 4.14Å; I298-V325 HydrophobicContact CB-CG2 4.12Å; I298-V325 HydrophobicContact CD1-CG2 4.16Å; I298-V325 HydrophobicContact CG1-CG2 4.32Å; I298-V325 HydrophobicContact CG2-CG1 4.3Å; I298-V325 WeakPolarHBondContact O-CA 3.14Å; I298-E326 PolarHBondContact O-N 3.07Å; I298-I345 CarbonylContact C-O 3.54Å; I298-I345 VanDerWaalsContact CA-O 3.32Å; I298-I345 WeakPolarHBondContact CA-O 3.47Å; I298-I345 HydrophobicContact CG1-CB 4.23Å; I298-L347 HydrophobicContact CG2-CD1 3.61Å; I298-L347 HydrophobicContact CG2-CG 3.89Å; I298-L413 HydrophobicContact CD1-CD2 4.48Å
299L98.9Very high98.6Very high0 Ų023 Ų230%013%0.131CC..EExtended strand (participates in β ladder)trans-119.7130.3171.8-58.9-177.4000110.5Q297 E326 A328 F331 M344 I345 T346 L347Q297-L299 HydrophobicContact CG-CD2 4.26Å; Q297-L299 HydrophobicContact CG-CG 4.41Å; L299-E326 HydrophobicContact CD2-CB 4Å; L299-A328 HydrophobicContact CB-CB 4.33Å; L299-F331 HydrophobicContact CD1-CB 4.45Å; L299-F331 HydrophobicContact CD1-CD1 3.44Å; L299-F331 VanDerWaalsContact CD1-CD1 3.44Å; L299-F331 HydrophobicContact CD1-CD2 4.47Å; L299-F331 HydrophobicContact CD1-CE1 3.69Å; L299-F331 HydrophobicContact CD1-CG 3.88Å; L299-F331 HydrophobicContact CD1-CZ 4.3Å; L299-F331 HydrophobicContact CD2-CB 3.63Å; L299-F331 HydrophobicContact CD2-CD1 4.01Å; L299-F331 HydrophobicContact CD2-CD2 3.74Å; L299-F331 HydrophobicContact CD2-CE2 4.39Å; L299-F331 HydrophobicContact CD2-CG 3.51Å; L299-F331 HydrophobicContact CG-CD1 4.39Å; L299-F331 HydrophobicContact CG-CG 4.36Å; L299-M344 HydrophobicContact CB-SD 4.39Å; L299-M344 HydrophobicContact CD1-CE 3.52Å; L299-M344 HydrophobicContact CD1-SD 3.69Å; L299-M344 HydrophobicContact CG-CE 3.92Å; L299-M344 HydrophobicContact CG-SD 3.69Å; L299-I345 PolarHBondContact N-O 2.81Å; L299-T346 WeakPolarHBondContact O-CA 3.44Å; L299-L347 PolarHBondContact O-N 3.25Å
300A98.7Very high98.7Very high0 Ų021 Ų210%012%0.121CC..EExtended strand (participates in β ladder)trans-164177.5177.900000111.4S304 E326 I327 A328 L347A300-S304 VanDerWaalsContact CB-C 3.49Å; A300-S304 WeakPolarHBondContact CB-O 3.48Å; A300-E326 PolarHBondContact N-O 2.82Å; A300-I327 WeakPolarHBondContact O-CA 3.44Å; A300-A328 PolarHBondContact O-N 2.95Å; A300-L347 HydrophobicContact CB-CB 3.91Å; A300-L347 WeakPolarHBondContact CB-O 3.39Å
301C98.4Very high98.7Very high31 Ų3120.9 Ų20.921%0.20912%0.12CC..  trans-130.6153.9173.9-56.80000110.9T303 S304 Y305 T353C301-T303 PolarHBondContact O-N 2.93Å; C301-S304 PolarHBondContact O-N 3.08Å; C301-Y305 PolarHBondContact O-N 2.67Å; C301-T353 HydrophobicContact CB-CG2 4.31Å
302G97.5Very high98.7Very high43 Ų4321.4 Ų21.444%0.44311%0.111SC..Hα-helixtrans53.1-132.6172.300000114.2S304 Y305 N306G302-S304 PolarHBondContact O-N 3.3Å; G302-Y305 WeakPolarHBondContact O-CA 3.26Å; G302-Y305 VanDerWaalsContact O-CB 3.3Å; G302-Y305 WeakPolarHBondContact O-CB 3.39Å; G302-Y305 PolarHBondContact O-N 3.16Å; G302-N306 PolarHBondContact O-N 3.28Å; G302-N306 VanDerWaalsContact O-N 3.11Å
303T98.7Very high98.8Very high10 Ų1020.1 Ų20.16%0.06110%0.104CC..Hα-helixtrans-55.6-35.1178.5-70.30000113.4C301 Y305 N306 S307 F406 E482 L485 K486C301-T303 PolarHBondContact O-N 2.93Å; T303-Y305 VanDerWaalsContact C-N 3.33Å; T303-Y305 PolarHBondContact O-N 3.33Å; T303-N306 WeakPolarHBondContact O-CB 2.97Å; T303-N306 PolarHBondContact O-N 2.93Å; T303-S307 PolarHBondContact O-N 3.28Å; T303-S307 VanDerWaalsContact O-N 3.13Å; T303-F406 HydrophobicContact CG2-CB 3.64Å; T303-F406 HydrophobicContact CG2-CD2 3.42Å; T303-F406 VanDerWaalsContact CG2-CD2 3.42Å; T303-F406 HydrophobicContact CG2-CE2 4.36Å; T303-F406 HydrophobicContact CG2-CG 3.86Å; T303-F406 WeakPolarHBondContact O-CD2 3.32Å; T303-E482 WeakPolarHBondContact CA-OE2 3.45Å; T303-E482 WeakPolarHBondContact CB-OE2 3.33Å; T303-E482 WeakPolarHBondContact CG2-OE1 3.27Å; T303-E482 WeakPolarHBondContact CG2-OE2 3.25Å; T303-E482 PolarHBondContact OG1-OE1 2.96Å; T303-E482 PolarHBondContact OG1-OE2 3.03Å; T303-L485 WeakPolarHBondContact OG1-CD2 3.45Å; T303-K486 PolarHBondContact OG1-NZ 3.02Å
304S98.8Very high98.8Very high11 Ų1119.9 Ų19.98%0.07710%0.102CC..Hα-helixtrans-72.8-25.3176-69.10000113.2A300 C301 G302 S307 G308 L347 Q409A300-S304 VanDerWaalsContact CB-C 3.49Å; A300-S304 WeakPolarHBondContact CB-O 3.48Å; C301-S304 PolarHBondContact O-N 3.08Å; G302-S304 PolarHBondContact O-N 3.3Å; S304-S307 PolarHBondContact O-OG 3.25Å; S304-G308 PolarHBondContact O-N 3.2Å; S304-L347 WeakPolarHBondContact CB-O 3.39Å; S304-L347 WeakPolarHBondContact O-CD1 3.3Å; S304-Q409 PolarHBondContact OG-NE2 3.49Å; S304-Q409 PolarHBondContact OG-OE1 3.23Å
305Y98.9Very high98.8Very high47 Ų4716.2 Ų16.218%0.1849%0.085CC..Hα-helixtrans-68.2-42.2167.9168.1-95.5000110.9C301 G302 T303 S307 G308 M309 V325 I327C301-Y305 PolarHBondContact O-N 2.67Å; G302-Y305 WeakPolarHBondContact O-CA 3.26Å; G302-Y305 VanDerWaalsContact O-CB 3.3Å; G302-Y305 WeakPolarHBondContact O-CB 3.39Å; G302-Y305 PolarHBondContact O-N 3.16Å; T303-Y305 VanDerWaalsContact C-N 3.33Å; T303-Y305 PolarHBondContact O-N 3.33Å; Y305-S307 VanDerWaalsContact C-N 3.28Å; Y305-S307 PolarHBondContact O-N 2.81Å; Y305-G308 PolarHBondContact O-N 3.37Å; Y305-G308 VanDerWaalsContact O-N 3.17Å; Y305-M309 HydrophobicContact CD1-CG 4.04Å; Y305-M309 HydrophobicContact CD2-CG 4.42Å; Y305-M309 HydrophobicContact CE1-CG 3.57Å; Y305-M309 HydrophobicContact CE1-SD 4.23Å; Y305-M309 HydrophobicContact CE2-CG 3.98Å; Y305-M309 HydrophobicContact CE2-SD 4.05Å; Y305-M309 HydrophobicContact CG-CG 4.45Å; Y305-M309 WeakPolarHBondContact O-CG 3.05Å; Y305-M309 PolarHBondContact O-N 3.13Å; Y305-M309 PolarHBondContact OH-SD 3.48Å; Y305-M309 VanDerWaalsContact OH-SD 3.32Å; Y305-V325 HydrophobicContact CD2-CG1 3.84Å; Y305-V325 HydrophobicContact CE2-CG1 3.78Å; Y305-I327 HydrophobicContact CD2-CG1 4.05Å; Y305-I327 HydrophobicContact CE1-CG1 4.45Å; Y305-I327 HydrophobicContact CE2-CG1 3.92Å; Y305-I327 HydrophobicContact CG-CG1 4.38Å
306N98.9Very high98.8Very high11 Ų1119.6 Ų19.66%0.05910%0.101CC..Hα-helixtrans-59.4-38176.2-65.2-24.2000112G302 T303 M309 V310 F406 E482G302-N306 PolarHBondContact O-N 3.28Å; G302-N306 VanDerWaalsContact O-N 3.11Å; T303-N306 WeakPolarHBondContact O-CB 2.97Å; T303-N306 PolarHBondContact O-N 2.93Å; N306-M309 WeakPolarHBondContact O-CB 3.14Å; N306-M309 PolarHBondContact O-N 2.88Å; N306-V310 PolarHBondContact O-N 2.77Å; N306-F406 HydrophobicContact CB-CE2 3.9Å; N306-E482 HydrophobicContact CB-CB 4.32Å; N306-E482 PolarHBondContact ND2-OE2 2.84Å
307S98.9Very high98.7Very high0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-69.3-38.3177.562.90000112T303 S304 Y305 M309 V310 S311 Q409 L410T303-S307 PolarHBondContact O-N 3.28Å; T303-S307 VanDerWaalsContact O-N 3.13Å; S304-S307 PolarHBondContact O-OG 3.25Å; Y305-S307 VanDerWaalsContact C-N 3.28Å; Y305-S307 PolarHBondContact O-N 2.81Å; S307-M309 VanDerWaalsContact C-N 3.32Å; S307-M309 PolarHBondContact O-N 3.48Å; S307-V310 PolarHBondContact O-N 3.2Å; S307-S311 PolarHBondContact O-N 3Å; S307-S311 VanDerWaalsContact O-N 3.09Å; S307-Q409 PolarHBondContact OG-OE1 3.18Å; S307-L410 WeakPolarHBondContact O-CD2 3.3Å
308G98.9Very high98.7Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-56.8-46.1168.800000111.8S304 Y305 V310 S311 R312 V325 L347S304-G308 PolarHBondContact O-N 3.2Å; Y305-G308 PolarHBondContact O-N 3.37Å; Y305-G308 VanDerWaalsContact O-N 3.17Å; G308-V310 VanDerWaalsContact C-N 3.34Å; G308-V310 PolarHBondContact O-N 3.5Å; G308-S311 PolarHBondContact O-N 3.33Å; G308-S311 PolarHBondContact O-OG 3.29Å; G308-R312 PolarHBondContact O-N 3.27Å; G308-V325 WeakPolarHBondContact O-CG2 3.39Å; G308-L347 VanDerWaalsContact CA-CD1 3.43Å; G308-L347 VanDerWaalsContact N-CD1 3.35Å
309M98.9Very high98.7Very high23 Ų2326.1 Ų26.111%0.11314%0.143CC..Hα-helixtrans-61.7-37179.5-72.6-67.3-75.100113Y305 N306 S307 Y313 V325 P478Y305-M309 HydrophobicContact CD1-CG 4.04Å; Y305-M309 HydrophobicContact CD2-CG 4.42Å; Y305-M309 HydrophobicContact CE1-CG 3.57Å; Y305-M309 HydrophobicContact CE1-SD 4.23Å; Y305-M309 HydrophobicContact CE2-CG 3.98Å; Y305-M309 HydrophobicContact CE2-SD 4.05Å; Y305-M309 HydrophobicContact CG-CG 4.45Å; Y305-M309 WeakPolarHBondContact O-CG 3.05Å; Y305-M309 PolarHBondContact O-N 3.13Å; Y305-M309 PolarHBondContact OH-SD 3.48Å; Y305-M309 VanDerWaalsContact OH-SD 3.32Å; N306-M309 WeakPolarHBondContact O-CB 3.14Å; N306-M309 PolarHBondContact O-N 2.88Å; S307-M309 VanDerWaalsContact C-N 3.32Å; S307-M309 PolarHBondContact O-N 3.48Å; M309-Y313 WeakPolarHBondContact O-CD2 3.32Å; M309-V325 HydrophobicContact CG-CB 4.45Å; M309-V325 HydrophobicContact CG-CG1 4.03Å; M309-V325 HydrophobicContact SD-CB 3.77Å; M309-V325 HydrophobicContact SD-CG1 3.97Å; M309-V325 HydrophobicContact SD-CG2 4.42Å; M309-P478 HydrophobicContact CB-CB 3.77Å; M309-P478 HydrophobicContact CB-CG 3.72Å
310V98.9Very high98.7Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-62.1-51.5170.1179.60000109.8N306 S307 G308 R312 Y313 W314 F406 L410 P478 I479 P574N306-V310 PolarHBondContact O-N 2.77Å; S307-V310 PolarHBondContact O-N 3.2Å; G308-V310 VanDerWaalsContact C-N 3.34Å; G308-V310 PolarHBondContact O-N 3.5Å; V310-R312 PolarHBondContact O-N 2.95Å; V310-R312 VanDerWaalsContact O-N 3.14Å; V310-Y313 WeakPolarHBondContact O-CB 3.49Å; V310-Y313 PolarHBondContact O-N 3.5Å; V310-W314 HydrophobicContact CG1-CD2 4.16Å; V310-W314 HydrophobicContact CG1-CE3 4.29Å; V310-W314 HydrophobicContact CG1-CH2 3.47Å; V310-W314 VanDerWaalsContact CG1-CH2 3.47Å; V310-W314 HydrophobicContact CG1-CZ2 3.3Å; V310-W314 HydrophobicContact CG1-CZ3 3.96Å; V310-F406 HydrophobicContact CG2-CZ 4.5Å; V310-L410 HydrophobicContact CB-CD2 3.57Å; V310-L410 HydrophobicContact CG1-CD2 3.83Å; V310-L410 HydrophobicContact CG2-CD1 4.42Å; V310-L410 HydrophobicContact CG2-CD2 3.93Å; V310-P478 HydrophobicContact CG2-CB 3.63Å; V310-P478 HydrophobicContact CG2-CG 4.26Å; V310-I479 HydrophobicContact CG2-CD1 3.59Å; V310-I479 HydrophobicContact CG2-CG1 4.46Å; V310-P574 HydrophobicContact CG1-CB 3.77Å; V310-P574 HydrophobicContact CG1-CG 4.18Å
311S98.9Very high98.7Very high0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-63.1-25.2-173.971.80000114.2I298 S307 G308 Y313 W314 F315I298-S311 VanDerWaalsContact CD1-OG 3.29Å; I298-S311 WeakPolarHBondContact CD1-OG 3.34Å; S307-S311 PolarHBondContact O-N 3Å; S307-S311 VanDerWaalsContact O-N 3.09Å; G308-S311 PolarHBondContact O-N 3.33Å; G308-S311 PolarHBondContact O-OG 3.29Å; S311-Y313 VanDerWaalsContact C-N 3.27Å; S311-Y313 PolarHBondContact O-N 3.33Å; S311-W314 WeakPolarHBondContact O-CB 3.42Å; S311-W314 PolarHBondContact O-N 2.85Å; S311-F315 WeakPolarHBondContact O-CD2 3.22Å; S311-F315 PolarHBondContact O-N 2.97Å
312R98.9Very high98.7Very high79 Ų7930.2 Ų30.230%0.29818%0.177SC..Hα-helixtrans-53.6-45.2171.4176.1173.8171.3-98.4-23.1112G308 V310 W314 E316 C323 V325G308-R312 PolarHBondContact O-N 3.27Å; V310-R312 PolarHBondContact O-N 2.95Å; V310-R312 VanDerWaalsContact O-N 3.14Å; R312-W314 VanDerWaalsContact C-N 3.28Å; R312-W314 PolarHBondContact O-N 2.83Å; R312-E316 IonicContact CZ-OE1 2.75Å; R312-E316 IonicContact NE-OE1 3.7Å; R312-E316 PolarHBondContact NE-OE1 2.9Å; R312-E316 IonicContact NH2-OE1 3.8Å; R312-E316 PolarHBondContact NH2-OE1 3.09Å; R312-E316 IonicContact NH2-OE2 3.62Å; R312-E316 PolarHBondContact NH2-OE2 2.82Å; R312-E316 WeakPolarHBondContact O-CB 3.32Å; R312-E316 WeakPolarHBondContact O-CG 3.36Å; R312-E316 PolarHBondContact O-N 2.93Å; R312-E316 VanDerWaalsContact O-N 3.1Å; R312-C323 HydrophobicContact CB-CB 4.49Å; R312-C323 VanDerWaalsContact CD-O 3.31Å; R312-C323 WeakPolarHBondContact CD-O 3.19Å; R312-C323 HydrophobicContact CG-CB 4.21Å; R312-C323 WeakPolarHBondContact CG-O 3.15Å; R312-C323 PolarHBondContact NE-O 3.01Å; R312-V325 HydrophobicContact CB-CG2 3.81Å
313Y98.8Very high98.8Very high71 Ų7128.2 Ų28.228%0.27816%0.156SC..Hα-helixtrans-61.3-40.3177.2-71.9-92.4000110.9M309 V310 S311 S317 G474 D475 P478M309-Y313 WeakPolarHBondContact O-CD2 3.32Å; V310-Y313 WeakPolarHBondContact O-CB 3.49Å; V310-Y313 PolarHBondContact O-N 3.5Å; S311-Y313 VanDerWaalsContact C-N 3.27Å; S311-Y313 PolarHBondContact O-N 3.33Å; Y313-S317 VanDerWaalsContact O-CB 3.24Å; Y313-S317 WeakPolarHBondContact O-CB 3.26Å; Y313-S317 PolarHBondContact O-N 2.97Å; Y313-S317 PolarHBondContact O-OG 3.06Å; Y313-G474 VanDerWaalsContact CE1-C 3.47Å; Y313-G474 VanDerWaalsContact CZ-O 3.26Å; Y313-G474 PolarHBondContact OH-O 2.85Å; Y313-D475 HydrophobicContact CD2-CB 4.36Å; Y313-D475 HydrophobicContact CG-CB 4.04Å; Y313-P478 HydrophobicContact CE2-CG 4.07Å
314W98.8Very high98.8Very high5 Ų530.4 Ų30.42%0.01917%0.167CC..Hα-helixtrans-70.4-46.5179.3-57.9-31.9000113.3V310 S311 R312 E316 L318 A319 L410 L413 L414 V417 P574 I575V310-W314 HydrophobicContact CG1-CD2 4.16Å; V310-W314 HydrophobicContact CG1-CE3 4.29Å; V310-W314 HydrophobicContact CG1-CH2 3.47Å; V310-W314 VanDerWaalsContact CG1-CH2 3.47Å; V310-W314 HydrophobicContact CG1-CZ2 3.3Å; V310-W314 HydrophobicContact CG1-CZ3 3.96Å; S311-W314 WeakPolarHBondContact O-CB 3.42Å; S311-W314 PolarHBondContact O-N 2.85Å; R312-W314 VanDerWaalsContact C-N 3.28Å; R312-W314 PolarHBondContact O-N 2.83Å; W314-E316 VanDerWaalsContact C-N 3.31Å; W314-E316 PolarHBondContact O-N 2.74Å; W314-L318 HydrophobicContact CB-CD1 4.17Å; W314-L318 HydrophobicContact CG-CD1 4.45Å; W314-L318 WeakPolarHBondContact O-CA 3.48Å; W314-L318 VanDerWaalsContact O-CB 3.25Å; W314-L318 WeakPolarHBondContact O-CB 3.22Å; W314-L318 PolarHBondContact O-N 3.23Å; W314-A319 PolarHBondContact O-N 3.38Å; W314-L410 HydrophobicContact CH2-CB 3.98Å; W314-L410 HydrophobicContact CH2-CD2 3.76Å; W314-L410 HydrophobicContact CH2-CG 4.3Å; W314-L410 HydrophobicContact CZ3-CB 4.22Å; W314-L410 HydrophobicContact CZ3-CD2 3.8Å; W314-L413 HydrophobicContact CZ3-CB 4.39Å; W314-L414 HydrophobicContact CB-CD1 4.31Å; W314-L414 HydrophobicContact CD2-CD1 3.6Å; W314-L414 HydrophobicContact CE3-CB 4.24Å; W314-L414 HydrophobicContact CE3-CD1 3.71Å; W314-L414 HydrophobicContact CG-CD1 3.89Å; W314-L414 HydrophobicContact CZ2-CD1 4.44Å; W314-L414 HydrophobicContact CZ3-CB 4.09Å; W314-L414 HydrophobicContact CZ3-CD1 4.2Å; W314-V417 HydrophobicContact CB-CG1 4.37Å; W314-V417 HydrophobicContact CB-CG2 3.76Å; W314-P574 HydrophobicContact CZ2-CB 4.09Å; W314-P574 HydrophobicContact CZ2-CG 3.95Å; W314-I575 HydrophobicContact CH2-CD1 4.28Å; W314-I575 HydrophobicContact CH2-CG1 4.16Å
315F98.8Very high98.8Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-60.4-42.4178.3-74.4-61.6000111.5I296 I298 S311 A319 G320 I321 C323 L413 L416 V417 L420I296-F315 HydrophobicContact CD1-CB 4.44Å; I296-F315 HydrophobicContact CD1-CD1 3.41Å; I296-F315 VanDerWaalsContact CD1-CD1 3.41Å; I296-F315 HydrophobicContact CD1-CD2 4.21Å; I296-F315 HydrophobicContact CD1-CE1 3.59Å; I296-F315 HydrophobicContact CD1-CE2 4.35Å; I296-F315 HydrophobicContact CD1-CG 3.77Å; I296-F315 HydrophobicContact CD1-CZ 4.08Å; I298-F315 HydrophobicContact CD1-CE2 4.12Å; S311-F315 WeakPolarHBondContact O-CD2 3.22Å; S311-F315 PolarHBondContact O-N 2.97Å; F315-A319 CarbonylContact O-C 3.6Å; F315-A319 PolarHBondContact O-N 3.44Å; F315-G320 PolarHBondContact O-N 2.91Å; F315-I321 CarbonylContact C-O 3.58Å; F315-I321 PolarHBondContact O-N 2.82Å; F315-C323 HydrophobicContact CB-CB 3.86Å; F315-C323 HydrophobicContact CD2-CB 4.35Å; F315-C323 HydrophobicContact CG-CB 4.46Å; F315-L413 HydrophobicContact CE2-CD2 4.16Å; F315-L413 HydrophobicContact CZ-CD2 4.35Å; F315-L416 HydrophobicContact CE1-CD2 4.47Å; F315-L416 HydrophobicContact CE1-CG 4.3Å; F315-L416 HydrophobicContact CZ-CB 4.44Å; F315-L416 HydrophobicContact CZ-CD2 4.09Å; F315-L416 HydrophobicContact CZ-CG 4.32Å; F315-V417 HydrophobicContact CD1-CB 4.35Å; F315-V417 HydrophobicContact CD1-CG2 3.48Å; F315-V417 VanDerWaalsContact CD1-CG2 3.48Å; F315-V417 HydrophobicContact CD2-CG2 4.36Å; F315-V417 HydrophobicContact CE1-CB 4.26Å; F315-V417 HydrophobicContact CE1-CG2 3.43Å; F315-V417 VanDerWaalsContact CE1-CG2 3.43Å; F315-V417 HydrophobicContact CE2-CG2 4.32Å; F315-V417 HydrophobicContact CG-CG2 3.95Å; F315-V417 HydrophobicContact CZ-CG2 3.86Å; F315-L420 HydrophobicContact CD1-CD1 4.37Å; F315-L420 HydrophobicContact CE1-CD1 3.96Å
316E98.8Very high98.8Very high79 Ų7930.2 Ų30.237%0.36917%0.168SC..Hα-helixtrans-73-47.6179.8-70.3-175.8-164.200112.2R312 W314 G320 C323R312-E316 IonicContact CZ-OE1 2.75Å; R312-E316 IonicContact NE-OE1 3.7Å; R312-E316 PolarHBondContact NE-OE1 2.9Å; R312-E316 IonicContact NH2-OE1 3.8Å; R312-E316 PolarHBondContact NH2-OE1 3.09Å; R312-E316 IonicContact NH2-OE2 3.62Å; R312-E316 PolarHBondContact NH2-OE2 2.82Å; R312-E316 WeakPolarHBondContact O-CB 3.32Å; R312-E316 WeakPolarHBondContact O-CG 3.36Å; R312-E316 PolarHBondContact O-N 2.93Å; R312-E316 VanDerWaalsContact O-N 3.1Å; W314-E316 VanDerWaalsContact C-N 3.31Å; W314-E316 PolarHBondContact O-N 2.74Å; E316-G320 VanDerWaalsContact O-CA 3.28Å; E316-G320 WeakPolarHBondContact O-CA 3.45Å; E316-G320 PolarHBondContact O-N 3.13Å; E316-C323 HydrophobicContact CG-CB 4.43Å
317S98.3Very high98.7Very high90 Ų9033.1 Ų33.163%0.62918%0.183SC*.Hα-helixtrans-81.3-36.9-173.563.70000114.4Y313Y313-S317 VanDerWaalsContact O-CB 3.24Å; Y313-S317 WeakPolarHBondContact O-CB 3.26Å; Y313-S317 PolarHBondContact O-N 2.97Å; Y313-S317 PolarHBondContact O-OG 3.06Å
318L98.5Very high98.7Very high48 Ų4833.1 Ų33.125%0.25118%0.183SC..THydrogen-bonded Turntrans-96.1-44.2-174.7-54176.6000111.9W314 L414 V417 I430 I434 V571W314-L318 HydrophobicContact CB-CD1 4.17Å; W314-L318 HydrophobicContact CG-CD1 4.45Å; W314-L318 WeakPolarHBondContact O-CA 3.48Å; W314-L318 VanDerWaalsContact O-CB 3.25Å; W314-L318 WeakPolarHBondContact O-CB 3.22Å; W314-L318 PolarHBondContact O-N 3.23Å; L318-L414 HydrophobicContact CD1-CD1 4.43Å; L318-V417 HydrophobicContact CB-CG1 3.85Å; L318-V417 HydrophobicContact CD1-CG1 4.24Å; L318-I430 HydrophobicContact CB-CG2 4.05Å; L318-I434 HydrophobicContact CD1-CD1 4.12Å; L318-I434 HydrophobicContact CD1-CG1 4.37Å; L318-V571 HydrophobicContact CD1-CG2 3.94Å
319A98.4Very high98.6Very high0 Ų034.6 Ų34.60%019%0.193CC..SBendtrans-97.3-9.2-17900000114W314 F315 I321 V417 K424 L426W314-A319 PolarHBondContact O-N 3.38Å; F315-A319 CarbonylContact O-C 3.6Å; F315-A319 PolarHBondContact O-N 3.44Å; A319-I321 HydrophobicContact CB-CD1 4.04Å; A319-I321 HydrophobicContact CB-CG1 4.12Å; A319-I321 PolarHBondContact O-N 2.67Å; A319-V417 HydrophobicContact CB-CG1 4.15Å; A319-K424 PolarHBondContact O-NZ 2.86Å; A319-K424 VanDerWaalsContact O-NZ 3.08Å; A319-L426 WeakPolarHBondContact O-CD1 3.25Å
320G98.3Very high98.6Very high43 Ų4339.4 Ų39.444%0.44322%0.215SC..  trans5834.4-176.800000112.8F315 E316 K424F315-G320 PolarHBondContact O-N 2.91Å; E316-G320 VanDerWaalsContact O-CA 3.28Å; E316-G320 WeakPolarHBondContact O-CA 3.45Å; E316-G320 PolarHBondContact O-N 3.13Å; G320-K424 PolarHBondContact O-NZ 2.68Å
321I98.7Very high98.5Very high3 Ų339.4 Ų39.42%0.01522%0.215CC..  trans-109.3123179.8-60.8173.1000108.6I296 F315 A319 C323 L420 K424I296-I321 HydrophobicContact CD1-CB 4.49Å; I296-I321 HydrophobicContact CD1-CG2 3.87Å; I296-I321 HydrophobicContact CG1-CG2 3.92Å; F315-I321 CarbonylContact C-O 3.58Å; F315-I321 PolarHBondContact O-N 2.82Å; A319-I321 HydrophobicContact CB-CD1 4.04Å; A319-I321 HydrophobicContact CB-CG1 4.12Å; A319-I321 PolarHBondContact O-N 2.67Å; I321-C323 PolarHBondContact O-N 3.14Å; I321-L420 HydrophobicContact CD1-CB 3.73Å; I321-L420 HydrophobicContact CD1-CD1 3.93Å; I321-L420 HydrophobicContact CD1-CG 4.39Å; I321-K424 HydrophobicContact CD1-CD 3.7Å; I321-K424 HydrophobicContact CG1-CD 3.57Å
322P98.9Very high98.3Very high72 Ų7243.6 Ų43.647%0.46823%0.231SC..  trans-53.4128.9172.1-26.734.9000111.8E294 I296E294-P322 WeakPolarHBondContact O-CD 3.02Å; I296-P322 PolarHBondContact N-O 3.12Å
323C98.9Very high98.1Very high1 Ų147 Ų471%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-133.9120.3-177.6-176.50000111.1I296 R312 F315 E316 I321I296-C323 HydrophobicContact CB-CB 4.39Å; I296-C323 WeakPolarHBondContact O-CA 3.42Å; R312-C323 HydrophobicContact CB-CB 4.49Å; R312-C323 VanDerWaalsContact CD-O 3.31Å; R312-C323 WeakPolarHBondContact CD-O 3.19Å; R312-C323 HydrophobicContact CG-CB 4.21Å; R312-C323 WeakPolarHBondContact CG-O 3.15Å; R312-C323 PolarHBondContact NE-O 3.01Å; F315-C323 HydrophobicContact CB-CB 3.86Å; F315-C323 HydrophobicContact CD2-CB 4.35Å; F315-C323 HydrophobicContact CG-CB 4.46Å; E316-C323 HydrophobicContact CG-CB 4.43Å; I321-C323 PolarHBondContact O-N 3.14Å
324D98.9Very high98Very high55 Ų5548.2 Ų48.229%0.29425%0.249SC..EExtended strand (participates in β ladder)trans-106.9135.9172.5-74.8-65.7000109.7H295 I296 Q297 I298 R339H295-D324 IonicContact CD2-OD2 3.46Å; H295-D324 IonicContact CE1-OD2 3.79Å; H295-D324 IonicContact NE2-OD2 3.78Å; H295-D324 PolarHBondContact NE2-OD2 2.79Å; I296-D324 PolarHBondContact O-N 2.97Å; Q297-D324 CarbonylContact C-O 3.59Å; Q297-D324 WeakPolarHBondContact CA-O 3.32Å; Q297-D324 PolarHBondContact NE2-O 2.87Å; I298-D324 PolarHBondContact N-O 3.41Å; D324-R339 VanDerWaalsContact CG-NH2 3.27Å; D324-R339 IonicContact OD1-NH2 3.46Å; D324-R339 PolarHBondContact OD1-NH2 3.24Å; D324-R339 IonicContact OD2-CZ 3.32Å; D324-R339 IonicContact OD2-NE 3.44Å; D324-R339 PolarHBondContact OD2-NE 2.95Å; D324-R339 VanDerWaalsContact OD2-NE 3.13Å; D324-R339 IonicContact OD2-NH1 3.19Å; D324-R339 IonicContact OD2-NH2 2.68Å; D324-R339 PolarHBondContact OD2-NH2 2.95Å
325V98.9Very high97.8Very high21 Ų2158 Ų5813%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-126128.9179.8-172.30000108.3I298 Y305 G308 M309 R312I298-V325 HydrophobicContact CB-CB 4.41Å; I298-V325 HydrophobicContact CB-CG1 4.14Å; I298-V325 HydrophobicContact CB-CG2 4.12Å; I298-V325 HydrophobicContact CD1-CG2 4.16Å; I298-V325 HydrophobicContact CG1-CG2 4.32Å; I298-V325 HydrophobicContact CG2-CG1 4.3Å; I298-V325 WeakPolarHBondContact O-CA 3.14Å; Y305-V325 HydrophobicContact CD2-CG1 3.84Å; Y305-V325 HydrophobicContact CE2-CG1 3.78Å; G308-V325 WeakPolarHBondContact O-CG2 3.39Å; M309-V325 HydrophobicContact CG-CB 4.45Å; M309-V325 HydrophobicContact CG-CG1 4.03Å; M309-V325 HydrophobicContact SD-CB 3.77Å; M309-V325 HydrophobicContact SD-CG1 3.97Å; M309-V325 HydrophobicContact SD-CG2 4.42Å; R312-V325 HydrophobicContact CB-CG2 3.81Å
326E98.7Very high97.7Very high33 Ų3359 Ų5915%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-139.3147.3-172.5-162.4169.1175.100112.2I298 L299 A300 A328 F331 R334I298-E326 PolarHBondContact O-N 3.07Å; L299-E326 HydrophobicContact CD2-CB 4Å; A300-E326 PolarHBondContact N-O 2.82Å; E326-A328 PolarHBondContact O-N 2.93Å; E326-F331 HydrophobicContact CG-CB 4.24Å; E326-F331 WeakPolarHBondContact OE2-CD2 3.43Å; E326-R334 VanDerWaalsContact CD-NH2 3.33Å; E326-R334 IonicContact OE1-CZ 2.83Å; E326-R334 IonicContact OE1-NE 2.77Å; E326-R334 PolarHBondContact OE1-NE 2.75Å; E326-R334 IonicContact OE1-NH2 3.52Å; E326-R334 PolarHBondContact OE1-NH2 3.33Å; E326-R334 IonicContact OE2-CZ 2.66Å; E326-R334 IonicContact OE2-NE 2.95Å; E326-R334 IonicContact OE2-NH2 3.68Å; E326-R334 PolarHBondContact OE2-NH2 3.3Å
327I98.6Very high97.6Very high73 Ų7358.9 Ų58.937%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-65.4125.3170.5-59.1174.9000107.4A300 Y305 S329 E330 F331A300-I327 WeakPolarHBondContact O-CA 3.44Å; Y305-I327 HydrophobicContact CD2-CG1 4.05Å; Y305-I327 HydrophobicContact CE1-CG1 4.45Å; Y305-I327 HydrophobicContact CE2-CG1 3.92Å; Y305-I327 HydrophobicContact CG-CG1 4.38Å; I327-S329 VanDerWaalsContact C-N 3.29Å; I327-S329 WeakPolarHBondContact CG2-OG 3.3Å; I327-S329 PolarHBondContact O-N 3.18Å; I327-E330 HydrophobicContact CB-CG 4.28Å; I327-E330 PolarHBondContact O-N 2.95Å; I327-E330 VanDerWaalsContact O-N 3.15Å; I327-F331 PolarHBondContact O-N 3.32Å; I327-F331 VanDerWaalsContact O-N 3.16Å
328A98.3Very high97.6Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-62.1-34.4-169.900000113.7L299 A300 E326 F331 R332 D355L299-A328 HydrophobicContact CB-CB 4.33Å; A300-A328 PolarHBondContact O-N 2.95Å; E326-A328 PolarHBondContact O-N 2.93Å; A328-F331 PolarHBondContact O-N 2.89Å; A328-R332 WeakPolarHBondContact O-CB 3.33Å; A328-R332 PolarHBondContact O-N 3.23Å; A328-D355 HydrophobicContact CB-CB 3.89Å
329S96.5Very high97.6Very high30 Ų3059.5 Ų59.521%0.2130%0.302CS..Hα-helixtrans-62.5-44.2176.156.70000111.8I327 R332 Y333I327-S329 VanDerWaalsContact C-N 3.29Å; I327-S329 WeakPolarHBondContact CG2-OG 3.3Å; I327-S329 PolarHBondContact O-N 3.18Å; S329-R332 PolarHBondContact O-N 3.41Å; S329-Y333 WeakPolarHBondContact O-CD2 3.33Å
330E98Very high97.6Very high124 Ų12468.3 Ų68.358%0.57934%0.335SS*.Hα-helixtrans-65.4-41.8177.7-65.9-59.8128.800112.3I327 R332 R334I327-E330 HydrophobicContact CB-CG 4.28Å; I327-E330 PolarHBondContact O-N 2.95Å; I327-E330 VanDerWaalsContact O-N 3.15Å; E330-R332 VanDerWaalsContact C-N 3.33Å; E330-R332 PolarHBondContact O-N 3.28Å; E330-R334 WeakPolarHBondContact O-CG 3.3Å
331F98Very high97.6Very high0 Ų069 Ų690%033%0.329CS..Hα-helixtrans-61.2-43.1177.3178.4-90.8000111.6L299 E326 I327 A328 Y333 R334 M344 L362 L366 Y368L299-F331 HydrophobicContact CD1-CB 4.45Å; L299-F331 HydrophobicContact CD1-CD1 3.44Å; L299-F331 VanDerWaalsContact CD1-CD1 3.44Å; L299-F331 HydrophobicContact CD1-CD2 4.47Å; L299-F331 HydrophobicContact CD1-CE1 3.69Å; L299-F331 HydrophobicContact CD1-CG 3.88Å; L299-F331 HydrophobicContact CD1-CZ 4.3Å; L299-F331 HydrophobicContact CD2-CB 3.63Å; L299-F331 HydrophobicContact CD2-CD1 4.01Å; L299-F331 HydrophobicContact CD2-CD2 3.74Å; L299-F331 HydrophobicContact CD2-CE2 4.39Å; L299-F331 HydrophobicContact CD2-CG 3.51Å; L299-F331 HydrophobicContact CG-CD1 4.39Å; L299-F331 HydrophobicContact CG-CG 4.36Å; E326-F331 HydrophobicContact CG-CB 4.24Å; E326-F331 WeakPolarHBondContact OE2-CD2 3.43Å; I327-F331 PolarHBondContact O-N 3.32Å; I327-F331 VanDerWaalsContact O-N 3.16Å; A328-F331 PolarHBondContact O-N 2.89Å; F331-Y333 PolarHBondContact O-N 3.48Å; F331-R334 PolarHBondContact O-N 3.36Å; F331-M344 HydrophobicContact CE1-CE 4.37Å; F331-M344 HydrophobicContact CZ-CE 4.08Å; F331-L362 HydrophobicContact CD1-CD2 4.32Å; F331-L362 HydrophobicContact CE1-CD2 4.04Å; F331-L366 HydrophobicContact CE1-CD1 4.35Å; F331-L366 HydrophobicContact CZ-CD1 4.01Å; F331-Y368 HydrophobicContact CZ-CE2 4.43Å
332R94.1Very high97.6Very high88 Ų8869 Ų6933%0.33233%0.329SS..Hα-helixtrans-61.1-30.5-173.6175.861.3-172.198.6-4.3113.5A328 S329 E330 A358A328-R332 WeakPolarHBondContact O-CB 3.33Å; A328-R332 PolarHBondContact O-N 3.23Å; S329-R332 PolarHBondContact O-N 3.41Å; E330-R332 VanDerWaalsContact C-N 3.33Å; E330-R332 PolarHBondContact O-N 3.28Å; R332-A358 HydrophobicContact CG-CB 4.05Å
333Y93.8Very high97.6Very high151 Ų15165.5 Ų65.559%0.59231%0.306SS*.Hα-helixtrans-104.5-2.8-171-71.4-64.6000115S329 F331 E609S329-Y333 WeakPolarHBondContact O-CD2 3.33Å; F331-Y333 PolarHBondContact O-N 3.48Å; Y333-E609 WeakPolarHBondContact CE2-OE2 3.49Å; Y333-E609 PolarHBondContact OH-OE2 3Å
334R96.8Very high97.6Very high96 Ų9665.5 Ų65.536%0.36231%0.306SS..SBendtrans-109.2154.1176.973.9-178.5-174.284.32.5112.4E326 E330 F331 S336E326-R334 VanDerWaalsContact CD-NH2 3.33Å; E326-R334 IonicContact OE1-CZ 2.83Å; E326-R334 IonicContact OE1-NE 2.77Å; E326-R334 PolarHBondContact OE1-NE 2.75Å; E326-R334 IonicContact OE1-NH2 3.52Å; E326-R334 PolarHBondContact OE1-NH2 3.33Å; E326-R334 IonicContact OE2-CZ 2.66Å; E326-R334 IonicContact OE2-NE 2.95Å; E326-R334 IonicContact OE2-NH2 3.68Å; E326-R334 PolarHBondContact OE2-NH2 3.3Å; E330-R334 WeakPolarHBondContact O-CG 3.3Å; F331-R334 PolarHBondContact O-N 3.36Å; R334-S336 PolarHBondContact O-N 2.89Å
335K96Very high97.6Very high210 Ų21062.9 Ų62.991%0.91329%0.292SS*.  trans-79.8106.6168.3-171178-177.5178.40109.6
336S96Very high97.6Very high21 Ų2162 Ų6215%0.14729%0.287CS..  trans-87.5145.5-178.257.30000113.6R334 V338R334-S336 PolarHBondContact O-N 2.89Å; S336-V338 PolarHBondContact O-N 3.43Å
337A97.7Very high97.6Very high78 Ų7860.5 Ų60.565%0.64528%0.28SS*.  trans-87100.4164.100000109.2R339A337-R339 PolarHBondContact O-NH1 2.98Å; A337-R339 VanDerWaalsContact O-NH1 3.16Å
338V97.6Very high97.6Very high50 Ų5057.1 Ų57.130%0.30326%0.263SS..PPolyproline II helixtrans-74.1130.7-178.9-177.30000109.9S336 L366 Y368S336-V338 PolarHBondContact O-N 3.43Å; V338-L366 HydrophobicContact CG2-CB 4.05Å; V338-L366 HydrophobicContact CG2-CD1 4.36Å; V338-Y368 HydrophobicContact CG1-CD1 4.48Å; V338-Y368 HydrophobicContact CG1-CD2 4.23Å; V338-Y368 HydrophobicContact CG1-CE1 4.16Å; V338-Y368 HydrophobicContact CG1-CE2 3.89Å; V338-Y368 HydrophobicContact CG2-CE2 3.96Å
339R98.3Very high97.5Very high100 Ų10058.1 Ų58.138%0.37727%0.267SS..PPolyproline II helixtrans-77.1152.8179.3-71.673160167.3-4.6110.3H295 D324 A337 S342H295-R339 HydrophobicContact CB-CB 3.91Å; H295-R339 PolarHBondContact NE2-NE 3.32Å; D324-R339 VanDerWaalsContact CG-NH2 3.27Å; D324-R339 IonicContact OD1-NH2 3.46Å; D324-R339 PolarHBondContact OD1-NH2 3.24Å; D324-R339 IonicContact OD2-CZ 3.32Å; D324-R339 IonicContact OD2-NE 3.44Å; D324-R339 PolarHBondContact OD2-NE 2.95Å; D324-R339 VanDerWaalsContact OD2-NE 3.13Å; D324-R339 IonicContact OD2-NH1 3.19Å; D324-R339 IonicContact OD2-NH2 2.68Å; D324-R339 PolarHBondContact OD2-NH2 2.95Å; A337-R339 PolarHBondContact O-NH1 2.98Å; A337-R339 VanDerWaalsContact O-NH1 3.16Å; R339-S342 WeakPolarHBondContact O-CB 3.32Å
340R98.4Very high97.3Very high186 Ų18657 Ų5770%0.70226%0.26SS*.THydrogen-bonded Turntrans-58.6139.6175.8-172.8178.171.3177.83.1110E294 S342E294-R340 IonicContact OE1-CZ 3.81Å; E294-R340 IonicContact OE1-NE 2.77Å; E294-R340 IonicContact OE1-NH2 3.66Å; E294-R340 PolarHBondContact OE1-NH2 3.3Å; E294-R340 IonicContact OE2-CZ 2.79Å; E294-R340 IonicContact OE2-NE 2.69Å; E294-R340 PolarHBondContact OE2-NE 3.3Å; E294-R340 IonicContact OE2-NH2 2.96Å; E294-R340 PolarHBondContact OE2-NH2 2.62Å; R340-S342 PolarHBondContact O-N 2.88Å
341N98.6Very high97.1Very high58 Ų5851.1 Ų51.131%0.3123%0.233SC..THydrogen-bonded Turntrans52.643.2172-72.7-16000113K292 E294 H295 L369K292-N341 WeakPolarHBondContact O-CB 3.37Å; E294-N341 HydrophobicContact CB-CB 3.89Å; E294-N341 HydrophobicContact CG-CB 3.8Å; E294-N341 PolarHBondContact N-O 3.01Å; E294-N341 PolarHBondContact OE1-ND2 3.07Å; H295-N341 PolarHBondContact N-O 3.34Å; N341-L369 VanDerWaalsContact C-CD1 3.41Å; N341-L369 HydrophobicContact CB-CD1 3.88Å; N341-L369 HydrophobicContact CB-CG 4.34Å; N341-L369 VanDerWaalsContact O-CD1 3.27Å; N341-L369 WeakPolarHBondContact O-CD1 3.48Å
342S98.8Very high96.7Very high1 Ų151.8 Ų51.81%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-84.9130.4-178.8-172.70000111.8H295 R339 R340 Y368 L369H295-S342 WeakPolarHBondContact ND1-CB 3.48Å; H295-S342 PolarHBondContact ND1-OG 3.16Å; H295-S342 CarbonylContact O-C 3.55Å; H295-S342 VanDerWaalsContact O-CA 3.27Å; H295-S342 WeakPolarHBondContact O-CA 3.48Å; R339-S342 WeakPolarHBondContact O-CB 3.32Å; R340-S342 PolarHBondContact O-N 2.88Å; S342-Y368 WeakPolarHBondContact O-CD1 3.37Å; S342-Y368 WeakPolarHBondContact OG-CD1 3.13Å; S342-Y368 WeakPolarHBondContact OG-CE1 3.26Å; S342-L369 PolarHBondContact O-N 2.94Å
343L98.9Very high96.6Very high0 Ų048.5 Ų48.50%023%0.225CC..EExtended strand (participates in β ladder)trans-83.6132.4163.1-179.563.5000109.3L289 L290 V293 H295 Q297 I345 L372L289-L343 HydrophobicContact CD2-CD1 4Å; L290-L343 HydrophobicContact CD2-CD2 4.11Å; V293-L343 HydrophobicContact CG1-CB 3.95Å; V293-L343 HydrophobicContact CG2-CB 3.9Å; V293-L343 HydrophobicContact CG2-CD2 4.32Å; H295-L343 PolarHBondContact O-N 3.23Å; Q297-L343 PolarHBondContact N-O 3.33Å; L343-I345 HydrophobicContact CD2-CD1 4.03Å; L343-I345 HydrophobicContact CD2-CG1 3.95Å; L343-I345 HydrophobicContact CG-CG1 3.99Å; L343-L372 HydrophobicContact CD1-CB 4.42Å
344M98.9Very high96.3Very high1 Ų142.2 Ų42.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-90.1124.4168.2174.455.173.900109Q297 L299 F331 Y368 G370 S371 L372Q297-M344 HydrophobicContact CB-CE 4.26Å; Q297-M344 HydrophobicContact CB-SD 4.47Å; Q297-M344 HydrophobicContact CG-CE 3.72Å; Q297-M344 HydrophobicContact CG-SD 4.15Å; L299-M344 HydrophobicContact CB-SD 4.39Å; L299-M344 HydrophobicContact CD1-CE 3.52Å; L299-M344 HydrophobicContact CD1-SD 3.69Å; L299-M344 HydrophobicContact CG-CE 3.92Å; L299-M344 HydrophobicContact CG-SD 3.69Å; F331-M344 HydrophobicContact CE1-CE 4.37Å; F331-M344 HydrophobicContact CZ-CE 4.08Å; M344-Y368 HydrophobicContact CB-CD1 3.85Å; M344-Y368 HydrophobicContact CB-CE1 4.39Å; M344-Y368 HydrophobicContact CB-CG 4.07Å; M344-Y368 HydrophobicContact CE-CD1 4.35Å; M344-Y368 HydrophobicContact CE-CD2 4.46Å; M344-Y368 HydrophobicContact CE-CE1 3.83Å; M344-Y368 HydrophobicContact CE-CE2 3.96Å; M344-G370 PolarHBondContact N-O 3.46Å; M344-S371 CarbonylContact O-C 3.53Å; M344-S371 WeakPolarHBondContact O-CA 3.37Å; M344-L372 PolarHBondContact O-N 3.12Å
345I98.9Very high96.2Very high0 Ų038.6 Ų38.60%019%0.192CC..EExtended strand (participates in β ladder)trans-116.3131.4173.4-56.9-175.6000108.8I296 Q297 I298 L299 L343 L347 L372 I374 L416I296-I345 HydrophobicContact CG2-CD1 3.6Å; I296-I345 HydrophobicContact CG2-CG1 4.1Å; Q297-I345 PolarHBondContact O-N 2.61Å; I298-I345 CarbonylContact C-O 3.54Å; I298-I345 VanDerWaalsContact CA-O 3.32Å; I298-I345 WeakPolarHBondContact CA-O 3.47Å; I298-I345 HydrophobicContact CG1-CB 4.23Å; L299-I345 PolarHBondContact N-O 2.81Å; L343-I345 HydrophobicContact CD2-CD1 4.03Å; L343-I345 HydrophobicContact CD2-CG1 3.95Å; L343-I345 HydrophobicContact CG-CG1 3.99Å; I345-L347 HydrophobicContact CG2-CD2 4.28Å; I345-L372 CarbonylContact C-O 3.56Å; I345-L372 VanDerWaalsContact CA-O 3.29Å; I345-L372 WeakPolarHBondContact CA-O 3.49Å; I345-L372 HydrophobicContact CD1-CD2 4.39Å; I345-L372 HydrophobicContact CG1-CB 4.38Å; I345-L372 HydrophobicContact CG1-CD2 4.45Å; I345-I374 HydrophobicContact CG2-CD1 4.22Å; I345-L416 HydrophobicContact CD1-CD2 3.68Å
346T98.9Very high96.2Very high2 Ų228.7 Ų28.71%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-110.5136168.555.60000110.6L299 T356 L360 L372 I374 L382L299-T346 WeakPolarHBondContact O-CA 3.44Å; T346-T356 HydrophobicContact CG2-CG2 3.88Å; T346-L360 HydrophobicContact CG2-CB 4.14Å; T346-L360 HydrophobicContact CG2-CD1 4.44Å; T346-L372 PolarHBondContact N-O 3.11Å; T346-I374 PolarHBondContact O-N 3.21Å; T346-L382 HydrophobicContact CG2-CD2 4.22Å
347L98.9Very high96.1Very high1 Ų128 Ų281%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-113.4120.1174-58.7172000108.7I298 L299 A300 S304 G308 I345 I374 L413I298-L347 HydrophobicContact CG2-CD1 3.61Å; I298-L347 HydrophobicContact CG2-CG 3.89Å; L299-L347 PolarHBondContact O-N 3.25Å; A300-L347 HydrophobicContact CB-CB 3.91Å; A300-L347 WeakPolarHBondContact CB-O 3.39Å; S304-L347 WeakPolarHBondContact CB-O 3.39Å; S304-L347 WeakPolarHBondContact O-CD1 3.3Å; G308-L347 VanDerWaalsContact CA-CD1 3.43Å; G308-L347 VanDerWaalsContact N-CD1 3.35Å; I345-L347 HydrophobicContact CG2-CD2 4.28Å; L347-I374 HydrophobicContact CD2-CB 3.55Å; L347-I374 HydrophobicContact CD2-CD1 3.74Å; L347-I374 HydrophobicContact CD2-CG1 4.11Å; L347-I374 HydrophobicContact CD2-CG2 3.95Å; L347-L413 HydrophobicContact CD1-CD1 3.91Å; L347-L413 HydrophobicContact CD1-CD2 4.45Å; L347-L413 HydrophobicContact CD2-CD1 4.14Å; L347-L413 HydrophobicContact CD2-CD2 4.03Å; L347-L413 HydrophobicContact CD2-CG 4.26Å
348S98.5Very high95.9Very high3 Ų324.9 Ų24.92%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-152.6132.7174.9-177.70000110.2S350 G351 T353 I374 C375 L382S348-S350 PolarHBondContact OG-N 2.9Å; S348-G351 PolarHBondContact OG-N 3.31Å; S348-T353 PolarHBondContact OG-OG1 3.16Å; S348-T353 VanDerWaalsContact OG-OG1 3.13Å; S348-I374 PolarHBondContact N-O 3.21Å; S348-C375 VanDerWaalsContact O-CA 3.3Å; S348-C375 WeakPolarHBondContact O-CA 3.44Å; S348-L382 VanDerWaalsContact CB-CD1 3.44Å
349Q96.5Very high95.8Very high20 Ų2022.5 Ų22.59%0.09310%0.104CC..SBendtrans-62.1-49.9170.6-177.3-85-0.700110.2N376 V377 A405Q349-N376 HydrophobicContact CG-CB 4.35Å; Q349-N376 WeakPolarHBondContact O-CB 3.49Å; Q349-N376 PolarHBondContact O-N 2.84Å; Q349-V377 PolarHBondContact O-N 3.41Å; Q349-A405 HydrophobicContact CB-CB 3.91Å; Q349-A405 HydrophobicContact CG-CB 3.37Å
350S92.5Very high95.8Very high8 Ų817.8 Ų17.86%0.0569%0.086CC..SBendtrans-86.2-25.6-16966.50000113.7S348 E352 V377 S380 S605S348-S350 PolarHBondContact OG-N 2.9Å; S350-E352 PolarHBondContact O-N 2.97Å; S350-E352 PolarHBondContact OG-N 3.28Å; S350-V377 WeakPolarHBondContact O-CB 3.29Å; S350-S380 WeakPolarHBondContact O-CB 3.3Å; S350-S605 WeakPolarHBondContact CB-OG 2.91Å; S350-S605 WeakPolarHBondContact OG-CB 3.31Å; S350-S605 PolarHBondContact OG-OG 3.38Å
351G93.7Very high95.6Very high0 Ų011.5 Ų11.50%06%0.062CC..SBendtrans72.57.6-17100000114.5S348 C375 S381 L382S348-G351 PolarHBondContact OG-N 3.31Å; G351-C375 VanDerWaalsContact CA-SG 3.52Å; G351-S381 PolarHBondContact O-N 3.2Å; G351-L382 WeakPolarHBondContact O-CB 3.26Å; G351-L382 PolarHBondContact O-N 3.21Å
352E88.7Confident95.5Very high13 Ų1310.1 Ų10.16%0.0616%0.055CC..  trans-126.38.3-172.8-58.7-62.7157.900113.2S350 A354 S380 S381 T607S350-E352 PolarHBondContact O-N 2.97Å; S350-E352 PolarHBondContact OG-N 3.28Å; E352-A354 PolarHBondContact O-N 3.19Å; E352-S380 VanDerWaalsContact OE1-CA 3.3Å; E352-S380 WeakPolarHBondContact OE1-CA 3.44Å; E352-S380 WeakPolarHBondContact OE1-CB 3.48Å; E352-S381 VanDerWaalsContact CD-OG 3.28Å; E352-S381 PolarHBondContact OE1-N 3.5Å; E352-S381 PolarHBondContact OE1-OG 3.2Å; E352-S381 VanDerWaalsContact OE1-OG 3.13Å; E352-S381 VanDerWaalsContact OE2-CB 3.3Å; E352-S381 WeakPolarHBondContact OE2-CB 3.34Å; E352-S381 PolarHBondContact OE2-OG 2.75Å; E352-T607 HydrophobicContact CB-CG2 4.13Å
353T91.5Very high95.5Very high20 Ų2010.2 Ų10.212%0.1236%0.056CC..  trans-64.4118.7177.9-50.60000110.3C301 S348 D355 T356 L357 V606C301-T353 HydrophobicContact CB-CG2 4.31Å; S348-T353 PolarHBondContact OG-OG1 3.16Å; S348-T353 VanDerWaalsContact OG-OG1 3.13Å; T353-D355 PolarHBondContact O-N 3.2Å; T353-T356 PolarHBondContact O-N 3.01Å; T353-L357 WeakPolarHBondContact O-CB 3.09Å; T353-L357 PolarHBondContact O-N 3.41Å; T353-V606 CarbonylContact C-O 3.52Å; T353-V606 VanDerWaalsContact CA-O 3.3Å; T353-V606 WeakPolarHBondContact CA-O 3.09Å
354A88.3Confident95.3Very high18 Ų1815.3 Ų15.315%0.1498%0.077CC..Hα-helixtrans-58.5-53-170.800000112.7E352 T356 L357 A358 V606 E609E352-A354 PolarHBondContact O-N 3.19Å; A354-T356 VanDerWaalsContact C-N 3.29Å; A354-T356 PolarHBondContact O-N 3Å; A354-L357 PolarHBondContact O-N 3.27Å; A354-L357 VanDerWaalsContact O-N 3.16Å; A354-A358 WeakPolarHBondContact O-CB 3.38Å; A354-A358 PolarHBondContact O-N 2.79Å; A354-V606 PolarHBondContact N-O 3.47Å; A354-E609 HydrophobicContact CB-CG 4.21Å
355D93.9Very high95.2Very high21 Ų2123 Ų2311%0.11211%0.114CC..Hα-helixtrans-57.2-42.9178.8-62.3-42.2000112.5A328 T353 A358 G359A328-D355 HydrophobicContact CB-CB 3.89Å; T353-D355 PolarHBondContact O-N 3.2Å; D355-A358 PolarHBondContact O-N 3.26Å; D355-G359 PolarHBondContact O-N 3.13Å
356T97.1Very high95.1Very high1 Ų125.9 Ų25.91%0.00613%0.128CC..Hα-helixtrans-68.1-40.1-179.5-510000110.9T346 T353 A354 G359 L360 L382T346-T356 HydrophobicContact CG2-CG2 3.88Å; T353-T356 PolarHBondContact O-N 3.01Å; A354-T356 VanDerWaalsContact C-N 3.29Å; A354-T356 PolarHBondContact O-N 3Å; T356-G359 PolarHBondContact O-N 3.12Å; T356-L360 PolarHBondContact O-N 3.46Å; T356-L382 HydrophobicContact CG2-CD1 3.75Å; T356-L382 HydrophobicContact CG2-CD2 4.29Å
357L93.9Very high95Very high8 Ų829 Ų294%0.04216%0.162CC..Hα-helixtrans-66.6-41.6175.3-172.962.5000111.5T353 A354 G359 L360 R361 L382T353-L357 WeakPolarHBondContact O-CB 3.09Å; T353-L357 PolarHBondContact O-N 3.41Å; A354-L357 PolarHBondContact O-N 3.27Å; A354-L357 VanDerWaalsContact O-N 3.16Å; L357-G359 VanDerWaalsContact C-N 3.33Å; L357-G359 PolarHBondContact O-N 3.46Å; L357-L360 HydrophobicContact CD1-CD2 4.49Å; L357-L360 PolarHBondContact O-N 2.82Å; L357-R361 VanDerWaalsContact O-CG 3.3Å; L357-R361 WeakPolarHBondContact O-CG 3.07Å; L357-R361 PolarHBondContact O-N 3.23Å; L357-L382 HydrophobicContact CB-CD2 4.32Å; L357-L382 HydrophobicContact CD1-CD2 3.84Å; L357-L382 HydrophobicContact CD1-CG 4.15Å
358A92.5Very high95Very high12 Ų1230.3 Ų30.310%0.09917%0.167CC..Hα-helixtrans-62-42174.300000111.2R332 A354 D355 R361 L362R332-A358 HydrophobicContact CG-CB 4.05Å; A354-A358 WeakPolarHBondContact O-CB 3.38Å; A354-A358 PolarHBondContact O-N 2.79Å; D355-A358 PolarHBondContact O-N 3.26Å; A358-R361 PolarHBondContact O-N 2.83Å; A358-L362 WeakPolarHBondContact O-CB 3.3Å; A358-L362 PolarHBondContact O-N 3.26Å
359G96.8Very high95Very high0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-60.7-44.7173.100000112.9D355 T356 L357 L362 S363D355-G359 PolarHBondContact O-N 3.13Å; T356-G359 PolarHBondContact O-N 3.12Å; L357-G359 VanDerWaalsContact C-N 3.33Å; L357-G359 PolarHBondContact O-N 3.46Å; G359-L362 PolarHBondContact O-N 2.91Å; G359-S363 WeakPolarHBondContact O-CB 3.42Å; G359-S363 PolarHBondContact O-N 3.25Å
360L97.8Very high95Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-59.2-48.7174176.463.1000111.2T346 T356 L357 L362 S363 K364 L382 E385 S386T346-L360 HydrophobicContact CG2-CB 4.14Å; T346-L360 HydrophobicContact CG2-CD1 4.44Å; T356-L360 PolarHBondContact O-N 3.46Å; L357-L360 HydrophobicContact CD1-CD2 4.49Å; L357-L360 PolarHBondContact O-N 2.82Å; L360-L362 PolarHBondContact O-N 3.33Å; L360-S363 WeakPolarHBondContact O-CB 3.47Å; L360-S363 PolarHBondContact O-N 3.13Å; L360-S363 VanDerWaalsContact O-N 3.13Å; L360-S363 PolarHBondContact O-OG 3.49Å; L360-K364 PolarHBondContact O-N 3.49Å; L360-L382 HydrophobicContact CB-CD2 3.94Å; L360-L382 HydrophobicContact CD2-CD2 3.56Å; L360-L382 HydrophobicContact CG-CD2 4.37Å; L360-E385 HydrophobicContact CD2-CB 3.96Å; L360-S386 WeakPolarHBondContact CD2-OG 3.07Å
361R94.8Very high95.3Very high55 Ų5532.1 Ų32.121%0.20818%0.178CC..Hα-helixtrans-61.5-45.9-179.4-71.5166.7177.3-165.4-4.7111.6E209 L357 A358 S363 K364 E385E209-R361 IonicContact OE2-CZ 3.92Å; E209-R361 IonicContact OE2-NH1 2.83Å; E209-R361 PolarHBondContact OE2-NH1 2.95Å; E209-R361 IonicContact OE2-NH2 2.79Å; L357-R361 VanDerWaalsContact O-CG 3.3Å; L357-R361 WeakPolarHBondContact O-CG 3.07Å; L357-R361 PolarHBondContact O-N 3.23Å; A358-R361 PolarHBondContact O-N 2.83Å; R361-S363 VanDerWaalsContact C-N 3.27Å; R361-S363 PolarHBondContact O-N 3.25Å; R361-K364 WeakPolarHBondContact O-CB 3.32Å; R361-K364 PolarHBondContact O-N 3.23Å; R361-E385 WeakPolarHBondContact CG-OE2 3.39Å; R361-E385 IonicContact CZ-OE1 2.85Å; R361-E385 IonicContact CZ-OE2 3.57Å; R361-E385 IonicContact NE-OE1 3.65Å; R361-E385 IonicContact NE-OE2 2.74Å; R361-E385 PolarHBondContact NE-OE2 2.92Å; R361-E385 IonicContact NH2-OE1 3.15Å; R361-E385 PolarHBondContact NH2-OE1 3.27Å; R361-E385 IonicContact NH2-OE2 3.6Å; R361-E385 PolarHBondContact NH2-OE2 2.96Å
362L96.4Very high95.6Very high28 Ų2832.1 Ų32.115%0.14718%0.178CC..Hα-helixtrans-58.4-40.9173.8177.562.7000111.4F331 A358 G359 L360 K364 E365 L366F331-L362 HydrophobicContact CD1-CD2 4.32Å; F331-L362 HydrophobicContact CE1-CD2 4.04Å; A358-L362 WeakPolarHBondContact O-CB 3.3Å; A358-L362 PolarHBondContact O-N 3.26Å; G359-L362 PolarHBondContact O-N 2.91Å; L360-L362 PolarHBondContact O-N 3.33Å; L362-K364 PolarHBondContact O-N 3.38Å; L362-E365 PolarHBondContact O-N 3.5Å; L362-L366 HydrophobicContact CD1-CD1 4.37Å; L362-L366 HydrophobicContact CD1-CG 4.42Å; L362-L366 HydrophobicContact CD2-CD1 4.32Å; L362-L366 HydrophobicContact CG-CD1 3.87Å; L362-L366 HydrophobicContact CG-CG 4.35Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å
363S97.4Very high96.1Very high4 Ų431.6 Ų31.63%0.02818%0.176CC..Hα-helixtrans-60.5-29.5-179.183.60000113.7G359 L360 R361 E365 L366 Y368G359-S363 WeakPolarHBondContact O-CB 3.42Å; G359-S363 PolarHBondContact O-N 3.25Å; L360-S363 WeakPolarHBondContact O-CB 3.47Å; L360-S363 PolarHBondContact O-N 3.13Å; L360-S363 VanDerWaalsContact O-N 3.13Å; L360-S363 PolarHBondContact O-OG 3.49Å; R361-S363 VanDerWaalsContact C-N 3.27Å; R361-S363 PolarHBondContact O-N 3.25Å; S363-E365 PolarHBondContact O-N 3.3Å; S363-L366 PolarHBondContact O-N 3.05Å; S363-L366 VanDerWaalsContact O-N 3.11Å; S363-Y368 WeakPolarHBondContact O-CD2 3.41Å
364K95.7Very high96.4Very high106 Ų10630.6 Ų30.646%0.46117%0.17SC..THydrogen-bonded Turntrans-64.9-22.9176.9-66.9-176.4177.7-70.70112.6L360 R361 L362 E385L360-K364 PolarHBondContact O-N 3.49Å; R361-K364 WeakPolarHBondContact O-CB 3.32Å; R361-K364 PolarHBondContact O-N 3.23Å; L362-K364 PolarHBondContact O-N 3.38Å; K364-E385 WeakPolarHBondContact CE-O 3.45Å; K364-E385 PolarHBondContact NZ-O 3.46Å
365E96.7Very high96.9Very high164 Ų16429.8 Ų29.877%0.76616%0.163SC*.THydrogen-bonded Turntrans-91.1-12.7177.6-59.1177.3-154.700112.8L362 S363L362-E365 PolarHBondContact O-N 3.5Å; S363-E365 PolarHBondContact O-N 3.3Å
366L97.6Very high97Very high59 Ų5929.4 Ų29.431%0.30916%0.161SC..THydrogen-bonded Turntrans-100.1-1.2-168.5-70.3-178.9000114.6F331 V338 L362 S363 Y368F331-L366 HydrophobicContact CE1-CD1 4.35Å; F331-L366 HydrophobicContact CZ-CD1 4.01Å; V338-L366 HydrophobicContact CG2-CB 4.05Å; V338-L366 HydrophobicContact CG2-CD1 4.36Å; L362-L366 HydrophobicContact CD1-CD1 4.37Å; L362-L366 HydrophobicContact CD1-CG 4.42Å; L362-L366 HydrophobicContact CD2-CD1 4.32Å; L362-L366 HydrophobicContact CG-CD1 3.87Å; L362-L366 HydrophobicContact CG-CG 4.35Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; S363-L366 PolarHBondContact O-N 3.05Å; S363-L366 VanDerWaalsContact O-N 3.11Å; L366-Y368 HydrophobicContact CB-CD2 4.07Å; L366-Y368 HydrophobicContact CB-CE2 3.92Å; L366-Y368 HydrophobicContact CD1-CE2 4.33Å
367G96.1Very high96.7Very high69 Ų6931 Ų3171%0.71117%0.171SC*.THydrogen-bonded Turntrans78.933.3172.400000115.2
368Y98.6Very high96.4Very high28 Ų2833.5 Ų33.511%0.1119%0.187CC..  trans-64.1156166.1-73.8-98.2000110.9Q297 F331 V338 S342 M344 S363 L366 G370Q297-Y368 HydrophobicContact CB-CE1 3.72Å; Q297-Y368 HydrophobicContact CG-CE1 4.22Å; F331-Y368 HydrophobicContact CZ-CE2 4.43Å; V338-Y368 HydrophobicContact CG1-CD1 4.48Å; V338-Y368 HydrophobicContact CG1-CD2 4.23Å; V338-Y368 HydrophobicContact CG1-CE1 4.16Å; V338-Y368 HydrophobicContact CG1-CE2 3.89Å; V338-Y368 HydrophobicContact CG2-CE2 3.96Å; S342-Y368 WeakPolarHBondContact O-CD1 3.37Å; S342-Y368 WeakPolarHBondContact OG-CD1 3.13Å; S342-Y368 WeakPolarHBondContact OG-CE1 3.26Å; M344-Y368 HydrophobicContact CB-CD1 3.85Å; M344-Y368 HydrophobicContact CB-CE1 4.39Å; M344-Y368 HydrophobicContact CB-CG 4.07Å; M344-Y368 HydrophobicContact CE-CD1 4.35Å; M344-Y368 HydrophobicContact CE-CD2 4.46Å; M344-Y368 HydrophobicContact CE-CE1 3.83Å; M344-Y368 HydrophobicContact CE-CE2 3.96Å; S363-Y368 WeakPolarHBondContact O-CD2 3.41Å; L366-Y368 HydrophobicContact CB-CD2 4.07Å; L366-Y368 HydrophobicContact CB-CE2 3.92Å; L366-Y368 HydrophobicContact CD1-CE2 4.33Å; Y368-G370 PolarHBondContact O-N 3.23Å
369L97.9Very high96Very high57 Ų5734.1 Ų34.130%0.29820%0.195SC..SBendtrans-60.2-33.6176.7-77.2175.7000112.6K292 V293 N341 S342K292-L369 HydrophobicContact CB-CD1 4.09Å; V293-L369 HydrophobicContact CG2-CD1 4.18Å; N341-L369 VanDerWaalsContact C-CD1 3.41Å; N341-L369 HydrophobicContact CB-CD1 3.88Å; N341-L369 HydrophobicContact CB-CG 4.34Å; N341-L369 VanDerWaalsContact O-CD1 3.27Å; N341-L369 WeakPolarHBondContact O-CD1 3.48Å; S342-L369 PolarHBondContact O-N 2.94Å
370G98.1Very high95.5Very high8 Ų834.2 Ų34.28%0.08220%0.196CC..EExtended strand (participates in β ladder)trans170.2179.7-177.700000110M344 Y368 D387M344-G370 PolarHBondContact N-O 3.46Å; Y368-G370 PolarHBondContact O-N 3.23Å; G370-D387 VanDerWaalsContact CA-OD2 3.28Å; G370-D387 WeakPolarHBondContact CA-OD2 3.19Å
371S98.7Very high95.1Very high4 Ų434.2 Ų34.23%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-125.1132.8-176520000111.6M344 S386 D387 L388M344-S371 CarbonylContact O-C 3.53Å; M344-S371 WeakPolarHBondContact O-CA 3.37Å; S371-S386 WeakPolarHBondContact OG-CA 3.42Å; S371-D387 PolarHBondContact N-OD2 2.92Å; S371-D387 PolarHBondContact O-N 2.91Å; S371-D387 VanDerWaalsContact O-N 3.15Å; S371-D387 VanDerWaalsContact OG-CG 3.27Å; S371-D387 PolarHBondContact OG-N 3.45Å; S371-D387 PolarHBondContact OG-OD2 3.5Å; S371-L388 PolarHBondContact O-N 3.34Å
372L98.9Very high95.1Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-119.2121.7174.3173.566.2000109.5L282 L343 M344 I345 T346 L388 L390 L416L282-L372 HydrophobicContact CD2-CD1 4.32Å; L343-L372 HydrophobicContact CD1-CB 4.42Å; M344-L372 PolarHBondContact O-N 3.12Å; I345-L372 CarbonylContact C-O 3.56Å; I345-L372 VanDerWaalsContact CA-O 3.29Å; I345-L372 WeakPolarHBondContact CA-O 3.49Å; I345-L372 HydrophobicContact CD1-CD2 4.39Å; I345-L372 HydrophobicContact CG1-CB 4.38Å; I345-L372 HydrophobicContact CG1-CD2 4.45Å; T346-L372 PolarHBondContact N-O 3.11Å; L372-L388 CarbonylContact C-O 3.42Å; L372-L388 WeakPolarHBondContact CA-O 3.47Å; L372-L388 HydrophobicContact CB-CB 4.39Å; L372-L388 HydrophobicContact CD1-CB 3.6Å; L372-L390 HydrophobicContact CD1-CD1 4.35Å; L372-L390 HydrophobicContact CD1-CG 4.15Å; L372-L390 HydrophobicContact CD2-CD1 4.35Å; L372-L416 HydrophobicContact CD2-CD1 4.26Å; L372-L416 HydrophobicContact CD2-CD2 3.55Å
373A98.9Very high95Very high1 Ų131.7 Ų31.71%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-94.5126.4170.100000110.9S386 L388 A389 L390A373-S386 WeakPolarHBondContact CB-OG 3.4Å; A373-L388 PolarHBondContact N-O 3.4Å; A373-A389 HydrophobicContact CB-CB 4.5Å; A373-A389 CarbonylContact O-C 3.59Å; A373-A389 VanDerWaalsContact O-CA 3.26Å; A373-A389 WeakPolarHBondContact O-CA 3.48Å; A373-L390 PolarHBondContact O-N 2.91Å
374I98.9Very high94.7Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-102.8107.3163.9-63.3172000107.1I345 T346 L347 S348 L390 T392 Q409 V412 L413I345-I374 HydrophobicContact CG2-CD1 4.22Å; T346-I374 PolarHBondContact O-N 3.21Å; L347-I374 HydrophobicContact CD2-CB 3.55Å; L347-I374 HydrophobicContact CD2-CD1 3.74Å; L347-I374 HydrophobicContact CD2-CG1 4.11Å; L347-I374 HydrophobicContact CD2-CG2 3.95Å; S348-I374 PolarHBondContact N-O 3.21Å; I374-L390 WeakPolarHBondContact CA-O 3.27Å; I374-L390 HydrophobicContact CG1-CB 4.35Å; I374-T392 HydrophobicContact CG2-CG2 3.85Å; I374-Q409 HydrophobicContact CG2-CG 4.24Å; I374-V412 HydrophobicContact CD1-CG1 3.84Å; I374-V412 HydrophobicContact CG1-CG1 3.95Å; I374-V412 HydrophobicContact CG2-CB 4.08Å; I374-V412 HydrophobicContact CG2-CG1 3.91Å; I374-L413 HydrophobicContact CD1-CD2 3.67Å; I374-L413 HydrophobicContact CD1-CG 4Å
375C98.3Very high94.6Very high1 Ų132.5 Ų32.51%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-132.8156.7-168.9-167.30000112.3S348 G351 V377 S380 V383 L390 M391 T392S348-C375 VanDerWaalsContact O-CA 3.3Å; S348-C375 WeakPolarHBondContact O-CA 3.44Å; G351-C375 VanDerWaalsContact CA-SG 3.52Å; C375-V377 PolarHBondContact SG-N 3.47Å; C375-S380 PolarHBondContact SG-OG 3.39Å; C375-S380 VanDerWaalsContact SG-OG 3.34Å; C375-V383 HydrophobicContact CB-CG2 3.52Å; C375-L390 PolarHBondContact N-O 3.38Å; C375-M391 HydrophobicContact CB-CE 4.11Å; C375-M391 HydrophobicContact CB-SD 4.41Å; C375-M391 CarbonylContact O-C 3.53Å; C375-M391 VanDerWaalsContact O-CA 3.32Å; C375-M391 WeakPolarHBondContact O-CA 3.39Å; C375-M391 VanDerWaalsContact O-CE 3.32Å; C375-M391 WeakPolarHBondContact O-CE 3.27Å; C375-T392 PolarHBondContact O-N 2.8Å; C375-T392 PolarHBondContact O-OG1 3.49Å
376N96.1Very high94.6Very high12 Ų1225.4 Ų25.46%0.06416%0.157CC..SBendtrans-100.7-21.1172.1-169.847.6000113.3Q349 P378 T392 A394 G395Q349-N376 HydrophobicContact CG-CB 4.35Å; Q349-N376 WeakPolarHBondContact O-CB 3.49Å; Q349-N376 PolarHBondContact O-N 2.84Å; N376-P378 WeakPolarHBondContact O-CD 3.37Å; N376-T392 WeakPolarHBondContact CA-OG1 3.49Å; N376-T392 WeakPolarHBondContact CB-OG1 3.34Å; N376-T392 PolarHBondContact OD1-OG1 3.5Å; N376-A394 WeakPolarHBondContact OD1-CB 3.44Å; N376-A394 PolarHBondContact OD1-N 3.25Å; N376-G395 PolarHBondContact ND2-O 3.04Å
377V90.5Very high94.6Very high36 Ų3627.1 Ų27.122%0.21817%0.166CC..SBendtrans-102.5109.9-176.7-178.80000110.6Q349 S350 C375 S380Q349-V377 PolarHBondContact O-N 3.41Å; S350-V377 WeakPolarHBondContact O-CB 3.29Å; C375-V377 PolarHBondContact SG-N 3.47Å; V377-S380 WeakPolarHBondContact O-CB 3.47Å; V377-S380 PolarHBondContact O-N 3.14Å; V377-S380 PolarHBondContact O-OG 2.88Å
378P88.3Confident94.8Very high60 Ų6025 Ų2539%0.3914%0.138SC..THydrogen-bonded Turntrans-62.1142.3177.2-2031.7000111.6N376 S380 M391N376-P378 WeakPolarHBondContact O-CD 3.37Å; P378-S380 PolarHBondContact O-N 3.28Å; P378-M391 HydrophobicContact CB-CE 4.32Å; P378-M391 HydrophobicContact CG-CE 4.02Å
379G83.2Confident94.8Very high25 Ų2525 Ų2526%0.25815%0.145SC..THydrogen-bonded Turntrans67.613.2176.600000114.7R384G379-R384 PolarHBondContact O-NH1 3.31Å
380S87.5Confident94.8Very high2 Ų222.3 Ų22.31%0.01413%0.13CC..  trans-68165.3170.553.40000112.5S350 E352 C375 V377 P378 L382 V383 R384S350-S380 WeakPolarHBondContact O-CB 3.3Å; E352-S380 VanDerWaalsContact OE1-CA 3.3Å; E352-S380 WeakPolarHBondContact OE1-CA 3.44Å; E352-S380 WeakPolarHBondContact OE1-CB 3.48Å; C375-S380 PolarHBondContact SG-OG 3.39Å; C375-S380 VanDerWaalsContact SG-OG 3.34Å; V377-S380 WeakPolarHBondContact O-CB 3.47Å; V377-S380 PolarHBondContact O-N 3.14Å; V377-S380 PolarHBondContact O-OG 2.88Å; P378-S380 PolarHBondContact O-N 3.28Å; S380-L382 PolarHBondContact O-N 3.32Å; S380-V383 WeakPolarHBondContact O-CB 3.25Å; S380-V383 PolarHBondContact O-N 2.79Å; S380-V383 VanDerWaalsContact O-N 3.07Å; S380-V383 VanDerWaalsContact OG-CG2 3.3Å; S380-V383 WeakPolarHBondContact OG-CG2 3.34Å; S380-R384 WeakPolarHBondContact O-CG 3.44Å; S380-R384 PolarHBondContact O-N 3.38Å
381S88.5Confident94.8Very high0 Ų023.2 Ų23.20%013%0.133CC..Hα-helixtrans-57.6-47.3-175.8-59.10000112.7G351 E352 V383 R384 E385G351-S381 PolarHBondContact O-N 3.2Å; E352-S381 VanDerWaalsContact CD-OG 3.28Å; E352-S381 PolarHBondContact OE1-N 3.5Å; E352-S381 PolarHBondContact OE1-OG 3.2Å; E352-S381 VanDerWaalsContact OE1-OG 3.13Å; E352-S381 VanDerWaalsContact OE2-CB 3.3Å; E352-S381 WeakPolarHBondContact OE2-CB 3.34Å; E352-S381 PolarHBondContact OE2-OG 2.75Å; S381-V383 VanDerWaalsContact C-N 3.27Å; S381-V383 PolarHBondContact O-N 3.16Å; S381-R384 PolarHBondContact O-N 2.92Å; S381-R384 PolarHBondContact OG-NH2 2.85Å; S381-E385 VanDerWaalsContact O-CB 3.3Å; S381-E385 WeakPolarHBondContact O-CB 3.48Å; S381-E385 WeakPolarHBondContact O-CG 3.42Å; S381-E385 PolarHBondContact O-N 2.94Å
382L95.1Very high94.8Very high2 Ų223 Ų231%0.0113%0.132CC..Hα-helixtrans-59.9-36.1175.3-80.5175000112.9T346 S348 G351 T356 L357 L360 S380 S386T346-L382 HydrophobicContact CG2-CD2 4.22Å; S348-L382 VanDerWaalsContact CB-CD1 3.44Å; G351-L382 WeakPolarHBondContact O-CB 3.26Å; G351-L382 PolarHBondContact O-N 3.21Å; T356-L382 HydrophobicContact CG2-CD1 3.75Å; T356-L382 HydrophobicContact CG2-CD2 4.29Å; L357-L382 HydrophobicContact CB-CD2 4.32Å; L357-L382 HydrophobicContact CD1-CD2 3.84Å; L357-L382 HydrophobicContact CD1-CG 4.15Å; L360-L382 HydrophobicContact CB-CD2 3.94Å; L360-L382 HydrophobicContact CD2-CD2 3.56Å; L360-L382 HydrophobicContact CG-CD2 4.37Å; S380-L382 PolarHBondContact O-N 3.32Å; L382-S386 VanDerWaalsContact O-CB 3.27Å; L382-S386 WeakPolarHBondContact O-CB 3.23Å; L382-S386 PolarHBondContact O-N 2.5Å; L382-S386 VanDerWaalsContact O-N 3.17Å; L382-S386 PolarHBondContact O-OG 3.4Å
383V95.1Very high94.7Very high27 Ų2726.4 Ų26.416%0.16415%0.15CC..Hα-helixtrans-70.5-46.41781730000110.9C375 S380 S381 E385 A389 M391C375-V383 HydrophobicContact CB-CG2 3.52Å; S380-V383 WeakPolarHBondContact O-CB 3.25Å; S380-V383 PolarHBondContact O-N 2.79Å; S380-V383 VanDerWaalsContact O-N 3.07Å; S380-V383 VanDerWaalsContact OG-CG2 3.3Å; S380-V383 WeakPolarHBondContact OG-CG2 3.34Å; S381-V383 VanDerWaalsContact C-N 3.27Å; S381-V383 PolarHBondContact O-N 3.16Å; V383-E385 VanDerWaalsContact C-N 3.31Å; V383-E385 PolarHBondContact O-N 2.78Å; V383-A389 HydrophobicContact CG1-CB 3.94Å; V383-M391 HydrophobicContact CG2-CE 4.42Å; V383-M391 HydrophobicContact CG2-SD 3.99Å
384R90.2Very high94.6Very high86 Ų8626.6 Ų26.633%0.32515%0.151SC..Hα-helixtrans-67.2-32.7180-63.4-171.3-46.6-87.3-6.9112.6G379 S380 S381G379-R384 PolarHBondContact O-NH1 3.31Å; S380-R384 WeakPolarHBondContact O-CG 3.44Å; S380-R384 PolarHBondContact O-N 3.38Å; S381-R384 PolarHBondContact O-N 2.92Å; S381-R384 PolarHBondContact OG-NH2 2.85Å
385E93.7Very high94.2Very high41 Ų4128.5 Ų28.519%0.19217%0.171CC..Hα-helixtrans-91.2-7.4-176.2-64.9-177.5-144.200113.2R174 L360 R361 K364 S381 V383R174-E385 IonicContact NH2-OE1 3.46Å; R174-E385 PolarHBondContact NH2-OE1 3.28Å; L360-E385 HydrophobicContact CD2-CB 3.96Å; R361-E385 WeakPolarHBondContact CG-OE2 3.39Å; R361-E385 IonicContact CZ-OE1 2.85Å; R361-E385 IonicContact CZ-OE2 3.57Å; R361-E385 IonicContact NE-OE1 3.65Å; R361-E385 IonicContact NE-OE2 2.74Å; R361-E385 PolarHBondContact NE-OE2 2.92Å; R361-E385 IonicContact NH2-OE1 3.15Å; R361-E385 PolarHBondContact NH2-OE1 3.27Å; R361-E385 IonicContact NH2-OE2 3.6Å; R361-E385 PolarHBondContact NH2-OE2 2.96Å; K364-E385 WeakPolarHBondContact CE-O 3.45Å; K364-E385 PolarHBondContact NZ-O 3.46Å; S381-E385 VanDerWaalsContact O-CB 3.3Å; S381-E385 WeakPolarHBondContact O-CB 3.48Å; S381-E385 WeakPolarHBondContact O-CG 3.42Å; S381-E385 PolarHBondContact O-N 2.94Å; V383-E385 VanDerWaalsContact C-N 3.31Å; V383-E385 PolarHBondContact O-N 2.78Å
386S97.3Very high93.8Very high15 Ų1530.9 Ų30.911%0.10519%0.185CC..SBendtrans-92.8156.1176.2-62.70000112.5L360 S371 A373 L382 L388L360-S386 WeakPolarHBondContact CD2-OG 3.07Å; S371-S386 WeakPolarHBondContact OG-CA 3.42Å; A373-S386 WeakPolarHBondContact CB-OG 3.4Å; L382-S386 VanDerWaalsContact O-CB 3.27Å; L382-S386 WeakPolarHBondContact O-CB 3.23Å; L382-S386 PolarHBondContact O-N 2.5Å; L382-S386 VanDerWaalsContact O-N 3.17Å; L382-S386 PolarHBondContact O-OG 3.4Å; S386-L388 WeakPolarHBondContact CB-O 3.37Å
387D97.7Very high93.5Very high95 Ų9530.6 Ų30.651%0.50818%0.184SC..SBendtrans-74.8-34.8179.2-52-56.1000111.8G370 S371G370-D387 VanDerWaalsContact CA-OD2 3.28Å; G370-D387 WeakPolarHBondContact CA-OD2 3.19Å; S371-D387 PolarHBondContact N-OD2 2.92Å; S371-D387 PolarHBondContact O-N 2.91Å; S371-D387 VanDerWaalsContact O-N 3.15Å; S371-D387 VanDerWaalsContact OG-CG 3.27Å; S371-D387 PolarHBondContact OG-N 3.45Å; S371-D387 PolarHBondContact OG-OD2 3.5Å
388L98.5Very high93.4Very high24 Ų2431 Ų3113%0.12618%0.184CC..EExtended strand (participates in β ladder)trans-130152.7178.2-63.2178.1000109.9L282 L289 S371 L372 A373 S386L282-L388 HydrophobicContact CB-CD2 4.29Å; L282-L388 HydrophobicContact CD2-CB 4.1Å; L282-L388 HydrophobicContact CD2-CD2 4.41Å; L289-L388 HydrophobicContact CD2-CD1 4.33Å; S371-L388 PolarHBondContact O-N 3.34Å; L372-L388 CarbonylContact C-O 3.42Å; L372-L388 WeakPolarHBondContact CA-O 3.47Å; L372-L388 HydrophobicContact CB-CB 4.39Å; L372-L388 HydrophobicContact CD1-CB 3.6Å; A373-L388 PolarHBondContact N-O 3.4Å; S386-L388 WeakPolarHBondContact CB-O 3.37Å
389A98.5Very high93.6Very high29 Ų2928.2 Ų28.224%0.2417%0.166CC..EExtended strand (participates in β ladder)trans-143.2135.7174.600000112L282 A373 V383L282-A389 WeakPolarHBondContact CD2-O 3.48Å; A373-A389 HydrophobicContact CB-CB 4.5Å; A373-A389 CarbonylContact O-C 3.59Å; A373-A389 VanDerWaalsContact O-CA 3.26Å; A373-A389 WeakPolarHBondContact O-CA 3.48Å; V383-A389 HydrophobicContact CG1-CB 3.94Å
390L98.8Very high94.1Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-115.9114.3169.1-72170.8000109.1L279 E281 L282 L372 A373 I374 C375 V412L279-L390 HydrophobicContact CD1-CD1 4.15Å; L279-L390 HydrophobicContact CD2-CD2 4.1Å; E281-L390 HydrophobicContact CG-CD2 4.07Å; E281-L390 WeakPolarHBondContact OE1-CD2 3.31Å; L282-L390 HydrophobicContact CD1-CD2 4.27Å; L282-L390 HydrophobicContact CD1-CG 4.49Å; L282-L390 HydrophobicContact CD2-CD2 3.78Å; L282-L390 HydrophobicContact CD2-CG 3.97Å; L282-L390 HydrophobicContact CG-CD2 3.96Å; L282-L390 HydrophobicContact CG-CG 4.49Å; L372-L390 HydrophobicContact CD1-CD1 4.35Å; L372-L390 HydrophobicContact CD1-CG 4.15Å; L372-L390 HydrophobicContact CD2-CD1 4.35Å; A373-L390 PolarHBondContact O-N 2.91Å; I374-L390 WeakPolarHBondContact CA-O 3.27Å; I374-L390 HydrophobicContact CG1-CB 4.35Å; C375-L390 PolarHBondContact N-O 3.38Å; L390-V412 HydrophobicContact CB-CG1 3.74Å; L390-V412 HydrophobicContact CD1-CG1 3.74Å; L390-V412 HydrophobicContact CG-CG1 4.35Å
391M98.3Very high94.5Very high27 Ų2727.6 Ų27.613%0.13316%0.157CC..EExtended strand (participates in β ladder)trans-80.1132.5179.3-57.6-49.1-57.100111.1R271 C375 P378 V383 N393R271-M391 VanDerWaalsContact CZ-O 3.22Å; R271-M391 PolarHBondContact NH1-O 2.95Å; R271-M391 PolarHBondContact NH2-O 3.16Å; C375-M391 HydrophobicContact CB-CE 4.11Å; C375-M391 HydrophobicContact CB-SD 4.41Å; C375-M391 CarbonylContact O-C 3.53Å; C375-M391 VanDerWaalsContact O-CA 3.32Å; C375-M391 WeakPolarHBondContact O-CA 3.39Å; C375-M391 VanDerWaalsContact O-CE 3.32Å; C375-M391 WeakPolarHBondContact O-CE 3.27Å; P378-M391 HydrophobicContact CB-CE 4.32Å; P378-M391 HydrophobicContact CG-CE 4.02Å; V383-M391 HydrophobicContact CG2-CE 4.42Å; V383-M391 HydrophobicContact CG2-SD 3.99Å; M391-N393 VanDerWaalsContact C-N 3.33Å; M391-N393 VanDerWaalsContact CB-OD1 3.29Å; M391-N393 WeakPolarHBondContact CB-OD1 3.46Å
392T98.6Very high94.9Very high1 Ų128.1 Ų28.11%0.00616%0.161CC..  trans-73.7-25.6178.253.60000112.5T267 I374 C375 N376 A394 Q409 V412T267-T392 WeakPolarHBondContact CA-O 3.45Å; T267-T392 VanDerWaalsContact CB-O 3.3Å; T267-T392 WeakPolarHBondContact CB-O 3.34Å; T267-T392 WeakPolarHBondContact CG2-O 3.42Å; T267-T392 PolarHBondContact OG1-O 2.89Å; I374-T392 HydrophobicContact CG2-CG2 3.85Å; C375-T392 PolarHBondContact O-N 2.8Å; C375-T392 PolarHBondContact O-OG1 3.49Å; N376-T392 WeakPolarHBondContact CA-OG1 3.49Å; N376-T392 WeakPolarHBondContact CB-OG1 3.34Å; N376-T392 PolarHBondContact OD1-OG1 3.5Å; T392-A394 VanDerWaalsContact C-N 3.26Å; T392-A394 PolarHBondContact O-N 3.47Å; T392-Q409 HydrophobicContact CG2-CG 4.03Å; T392-V412 HydrophobicContact CG2-CG2 4.07Å
393N96.9Very high95.1Very high70 Ų7028 Ų2837%0.37416%0.16SC..  trans57.433.7176.6-56-34.4000113.9N266 M391 G395N266-N393 HydrophobicContact CB-CB 4.49Å; N266-N393 WeakPolarHBondContact CB-O 3.48Å; M391-N393 VanDerWaalsContact C-N 3.33Å; M391-N393 VanDerWaalsContact CB-OD1 3.29Å; M391-N393 WeakPolarHBondContact CB-OD1 3.46Å; N393-G395 PolarHBondContact O-N 3.38Å
394A96.4Very high95.2Very high5 Ų526.9 Ų26.94%0.04115%0.153CC..  trans-76.4-6.2178.200000113.4A263 N376 T392 K404 T408A263-A394 HydrophobicContact CB-CB 4.2Å; N376-A394 WeakPolarHBondContact OD1-CB 3.44Å; N376-A394 PolarHBondContact OD1-N 3.25Å; T392-A394 VanDerWaalsContact C-N 3.26Å; T392-A394 PolarHBondContact O-N 3.47Å; A394-K404 HydrophobicContact CB-CB 4.48Å; A394-K404 HydrophobicContact CB-CD 4.24Å; A394-K404 HydrophobicContact CB-CG 4.13Å; A394-K404 WeakPolarHBondContact O-CD 3.46Å; A394-K404 WeakPolarHBondContact O-CE 3.22Å; A394-K404 PolarHBondContact O-NZ 3.32Å; A394-T408 HydrophobicContact CB-CG2 3.89Å
395G91.1Very high95.6Very high40 Ų4022.9 Ų22.941%0.41214%0.138SC..  trans74.6178.5-168.100000111.9N376 N393 E397N376-G395 PolarHBondContact ND2-O 3.04Å; N393-G395 PolarHBondContact O-N 3.38Å; G395-E397 PolarHBondContact O-N 3.41Å
396T89.1Confident95.8Very high51 Ų5120.9 Ų20.931%0.31313%0.129SC..  trans-59.8134.7179.1-52.90000110.6D242 I398 K404D242-T396 PolarHBondContact O-OG1 2.91Å; D242-T396 VanDerWaalsContact O-OG1 3.09Å; T396-I398 HydrophobicContact CG2-CD1 3.47Å; T396-I398 VanDerWaalsContact CG2-CD1 3.47Å; T396-I398 HydrophobicContact CG2-CG1 4.13Å; T396-K404 VanDerWaalsContact O-CE 3.26Å; T396-K404 WeakPolarHBondContact O-CE 3.48Å; T396-K404 PolarHBondContact O-NZ 3.38Å
397E91.1Very high95.9Very high6 Ų620.2 Ų20.23%0.02812%0.124CC..  trans-121.3115173.8-168.1-171.3-115.200107.5E256 G395 T403 K404 A405 K604E256-E397 HydrophobicContact CG-CG 4.14Å; E256-E397 WeakPolarHBondContact OE1-CA 3.17Å; E256-E397 WeakPolarHBondContact OE2-CG 3.32Å; G395-E397 PolarHBondContact O-N 3.41Å; E397-T403 PolarHBondContact OE1-N 3.33Å; E397-K404 HydrophobicContact CG-CG 4.18Å; E397-K404 WeakPolarHBondContact OE1-CG 3.41Å; E397-K404 PolarHBondContact OE1-N 3.32Å; E397-K404 VanDerWaalsContact OE1-N 3.09Å; E397-A405 WeakPolarHBondContact OE1-CB 3.16Å; E397-A405 PolarHBondContact OE1-N 2.69Å; E397-A405 WeakPolarHBondContact OE2-CB 3.3Å; E397-K604 WeakPolarHBondContact O-CE 3.17Å; E397-K604 IonicContact OE2-NZ 3.95Å; E397-K604 PolarHBondContact OE2-NZ 3.12Å
398I88.7Confident96Very high46 Ų4615.7 Ų15.724%0.23610%0.1CC..  trans-96.9-43.5-171.2-57.7-64.5000110.8Y252 E256 T396 V400Y252-I398 HydrophobicContact CD1-CB 3.77Å; Y252-I398 HydrophobicContact CD1-CG1 3.88Å; Y252-I398 HydrophobicContact CD1-CG2 4.09Å; Y252-I398 HydrophobicContact CD2-CB 4.16Å; Y252-I398 HydrophobicContact CD2-CG2 3.62Å; Y252-I398 HydrophobicContact CE1-CB 4.22Å; Y252-I398 HydrophobicContact CE1-CG1 3.95Å; Y252-I398 HydrophobicContact CE1-CG2 4.3Å; Y252-I398 HydrophobicContact CE2-CG2 3.85Å; Y252-I398 HydrophobicContact CG-CB 3.73Å; Y252-I398 HydrophobicContact CG-CG1 4.35Å; Y252-I398 HydrophobicContact CG-CG2 3.74Å; E256-I398 PolarHBondContact OE1-N 2.93Å; T396-I398 HydrophobicContact CG2-CD1 3.47Å; T396-I398 VanDerWaalsContact CG2-CD1 3.47Å; T396-I398 HydrophobicContact CG2-CG1 4.13Å; I398-V400 PolarHBondContact O-N 2.87Å
399G91.7Very high96Very high0 Ų014.6 Ų14.60%09%0.094CC..SBendtrans-58131.5-179.400000110.7E256 A401 K604E256-G399 PolarHBondContact OE1-N 3.37Å; E256-G399 PolarHBondContact OE2-N 2.96Å; G399-A401 VanDerWaalsContact C-N 3.31Å; G399-A401 PolarHBondContact O-N 3.47Å; G399-K604 VanDerWaalsContact O-CD 3.27Å; G399-K604 WeakPolarHBondContact O-CD 3.29Å; G399-K604 WeakPolarHBondContact O-CE 3.49Å; G399-K604 PolarHBondContact O-NZ 2.9Å
400V92.5Very high96Very high14 Ų1413.2 Ų13.29%0.0858%0.083CC..SBendtrans-55.4-48.5-175.5168.60000111Y29 I398 S402 D597 P599 L602 K604Y29-V400 HydrophobicContact CE1-CG2 4.32Å; I398-V400 PolarHBondContact O-N 2.87Å; V400-S402 PolarHBondContact O-N 2.98Å; V400-S402 VanDerWaalsContact O-N 3.13Å; V400-D597 WeakPolarHBondContact CG2-O 3.39Å; V400-D597 PolarHBondContact N-O 2.91Å; V400-P599 HydrophobicContact CB-CG 3.96Å; V400-P599 HydrophobicContact CG1-CG 3.92Å; V400-L602 HydrophobicContact CG1-CB 3.95Å; V400-L602 HydrophobicContact CG1-CD1 4.49Å; V400-K604 HydrophobicContact CG2-CB 4.43Å; V400-K604 PolarHBondContact O-NZ 3.1Å
401A95.9Very high96Very high0 Ų013.2 Ų13.20%08%0.083CC..SBendtrans-67110.2175.600000110.7M253 G399 K486 I490M253-A401 HydrophobicContact CE-CB 4.07Å; M253-A401 HydrophobicContact SD-CB 4Å; G399-A401 VanDerWaalsContact C-N 3.31Å; G399-A401 PolarHBondContact O-N 3.47Å; A401-K486 HydrophobicContact CB-CD 4.21Å; A401-I490 HydrophobicContact CB-CG2 3.79Å
402S97.5Very high96.1Very high11 Ų1112 Ų128%0.0778%0.077CC..  trans-59.1134.6177.2174.90000111.8V400 K486V400-S402 PolarHBondContact O-N 2.98Å; V400-S402 VanDerWaalsContact O-N 3.13Å; S402-K486 PolarHBondContact O-NZ 2.88Å
403T98.7Very high96.1Very high0 Ų011.9 Ų11.90%08%0.076CC..SBendtrans-132.5-80.7-179.855.10000110.7M253 E256 I257 E397 A405 F406 T407 Q582M253-T403 HydrophobicContact CE-CG2 3.84Å; M253-T403 HydrophobicContact CG-CG2 4.02Å; E256-T403 WeakPolarHBondContact CB-OG1 3.26Å; I257-T403 HydrophobicContact CD1-CG2 4.3Å; I257-T403 HydrophobicContact CG1-CG2 3.69Å; E397-T403 PolarHBondContact OE1-N 3.33Å; T403-A405 PolarHBondContact O-N 3.5Å; T403-F406 WeakPolarHBondContact O-CB 3.33Å; T403-F406 PolarHBondContact O-N 2.97Å; T403-T407 PolarHBondContact O-N 3.32Å; T403-Q582 HydrophobicContact CG2-CG 4.35Å; T403-Q582 PolarHBondContact O-NE2 2.96Å
404K98.4Very high96.2Very high4 Ų48.6 Ų8.62%0.0176%0.059CC..Hα-helixtrans-62.2-29.6177.661.8-179.8-177.9178.60112.8E256 E259 Q260 A263 A394 T396 E397 F406 T407 T408E256-K404 HydrophobicContact CB-CD 4.2Å; E256-K404 HydrophobicContact CB-CG 4.31Å; E256-K404 HydrophobicContact CG-CD 4.33Å; E259-K404 HydrophobicContact CB-CD 4.42Å; E259-K404 IonicContact OE2-NZ 2.7Å; E259-K404 PolarHBondContact OE2-NZ 3.01Å; Q260-K404 HydrophobicContact CG-CB 3.83Å; A263-K404 HydrophobicContact CB-CB 4.2Å; A263-K404 HydrophobicContact CB-CD 4.43Å; A394-K404 HydrophobicContact CB-CB 4.48Å; A394-K404 HydrophobicContact CB-CD 4.24Å; A394-K404 HydrophobicContact CB-CG 4.13Å; A394-K404 WeakPolarHBondContact O-CD 3.46Å; A394-K404 WeakPolarHBondContact O-CE 3.22Å; A394-K404 PolarHBondContact O-NZ 3.32Å; T396-K404 VanDerWaalsContact O-CE 3.26Å; T396-K404 WeakPolarHBondContact O-CE 3.48Å; T396-K404 PolarHBondContact O-NZ 3.38Å; E397-K404 HydrophobicContact CG-CG 4.18Å; E397-K404 WeakPolarHBondContact OE1-CG 3.41Å; E397-K404 PolarHBondContact OE1-N 3.32Å; E397-K404 VanDerWaalsContact OE1-N 3.09Å; K404-F406 VanDerWaalsContact C-N 3.31Å; K404-F406 PolarHBondContact O-N 2.79Å; K404-T407 PolarHBondContact O-OG1 3.22Å; K404-T408 WeakPolarHBondContact O-CB 3.46Å; K404-T408 VanDerWaalsContact O-CG2 3.27Å; K404-T408 WeakPolarHBondContact O-CG2 3.33Å; K404-T408 PolarHBondContact O-N 3.43Å; K404-T408 PolarHBondContact O-OG1 2.99Å
405A98.2Very high96.3Very high1 Ų18.4 Ų8.41%0.0086%0.057CC..Hα-helixtrans-64.7-35.6173.200000112.1Q349 E397 T403 T408 Q409Q349-A405 HydrophobicContact CB-CB 3.91Å; Q349-A405 HydrophobicContact CG-CB 3.37Å; E397-A405 WeakPolarHBondContact OE1-CB 3.16Å; E397-A405 PolarHBondContact OE1-N 2.69Å; E397-A405 WeakPolarHBondContact OE2-CB 3.3Å; T403-A405 PolarHBondContact O-N 3.5Å; A405-T408 PolarHBondContact O-OG1 3.06Å; A405-Q409 VanDerWaalsContact O-CB 3.26Å; A405-Q409 WeakPolarHBondContact O-CB 3.23Å; A405-Q409 WeakPolarHBondContact O-CG 3.45Å; A405-Q409 PolarHBondContact O-N 3.46Å
406F98.9Very high96.7Very high0 Ų06.5 Ų6.50%04%0.037CC..Hα-helixtrans-66.7-49.9176.4178.3-99.1000111.8T303 N306 V310 T403 K404 T408 Q409 L410 I479 E482 T578T303-F406 HydrophobicContact CG2-CB 3.64Å; T303-F406 HydrophobicContact CG2-CD2 3.42Å; T303-F406 VanDerWaalsContact CG2-CD2 3.42Å; T303-F406 HydrophobicContact CG2-CE2 4.36Å; T303-F406 HydrophobicContact CG2-CG 3.86Å; T303-F406 WeakPolarHBondContact O-CD2 3.32Å; N306-F406 HydrophobicContact CB-CE2 3.9Å; V310-F406 HydrophobicContact CG2-CZ 4.5Å; T403-F406 WeakPolarHBondContact O-CB 3.33Å; T403-F406 PolarHBondContact O-N 2.97Å; K404-F406 VanDerWaalsContact C-N 3.31Å; K404-F406 PolarHBondContact O-N 2.79Å; F406-T408 PolarHBondContact O-N 3.06Å; F406-Q409 WeakPolarHBondContact O-CB 3.4Å; F406-Q409 PolarHBondContact O-N 2.89Å; F406-L410 HydrophobicContact CD1-CD1 3.93Å; F406-L410 HydrophobicContact CE1-CD1 3.36Å; F406-L410 HydrophobicContact CE1-CG 4.26Å; F406-L410 HydrophobicContact CE2-CD1 4.49Å; F406-L410 HydrophobicContact CZ-CD1 3.71Å; F406-L410 HydrophobicContact CZ-CG 4.37Å; F406-L410 WeakPolarHBondContact O-CG 3.3Å; F406-L410 PolarHBondContact O-N 3.49Å; F406-I479 HydrophobicContact CE1-CD1 4.18Å; F406-I479 HydrophobicContact CZ-CD1 4.03Å; F406-E482 HydrophobicContact CD1-CG 4.43Å; F406-E482 HydrophobicContact CD2-CG 4.37Å; F406-E482 HydrophobicContact CE1-CG 4.17Å; F406-E482 HydrophobicContact CE2-CB 4.35Å; F406-E482 HydrophobicContact CE2-CG 4.06Å; F406-E482 HydrophobicContact CZ-CB 4.11Å; F406-E482 HydrophobicContact CZ-CG 3.96Å; F406-T578 HydrophobicContact CD1-CG2 3.69Å; F406-T578 HydrophobicContact CE1-CG2 3.62Å; F406-T578 WeakPolarHBondContact CE1-OG1 3.43Å
407T98.9Very high97.1Very high0 Ų04 Ų40%02%0.022CC..Hα-helixtrans-70.2-34-176.749.80000112.7Q260 T403 K404 T411 I575Q260-T407 PolarHBondContact OE1-OG1 3Å; T403-T407 PolarHBondContact O-N 3.32Å; K404-T407 PolarHBondContact O-OG1 3.22Å; T407-T411 PolarHBondContact O-N 3.24Å; T407-T411 PolarHBondContact O-OG1 3.45Å; T407-I575 HydrophobicContact CG2-CG2 3.7Å
408T98.9Very high97.5Very high0 Ų03.8 Ų3.80%02%0.021CC..Hα-helixtrans-73.5-32.9171.857.40000113A263 I264 T267 A394 K404 A405 F406 T411 V412A263-T408 HydrophobicContact CB-CG2 3.93Å; I264-T408 HydrophobicContact CG1-CG2 4.04Å; T267-T408 WeakPolarHBondContact OG1-CB 3.4Å; T267-T408 WeakPolarHBondContact OG1-CG2 3.45Å; A394-T408 HydrophobicContact CB-CG2 3.89Å; K404-T408 WeakPolarHBondContact O-CB 3.46Å; K404-T408 VanDerWaalsContact O-CG2 3.27Å; K404-T408 WeakPolarHBondContact O-CG2 3.33Å; K404-T408 PolarHBondContact O-N 3.43Å; K404-T408 PolarHBondContact O-OG1 2.99Å; A405-T408 PolarHBondContact O-OG1 3.06Å; F406-T408 PolarHBondContact O-N 3.06Å; T408-T411 WeakPolarHBondContact O-CB 3.42Å; T408-T411 PolarHBondContact O-N 3.32Å; T408-V412 WeakPolarHBondContact O-CG2 3.3Å; T408-V412 PolarHBondContact O-N 3.24Å
409Q98.9Very high98Very high1 Ų12 Ų21%0.0051%0.011CC..Hα-helixtrans-58.8-48.6168.8-83.6175.2-0.500111.1S304 S307 I374 T392 A405 F406 T411 V412 L413S304-Q409 PolarHBondContact OG-NE2 3.49Å; S304-Q409 PolarHBondContact OG-OE1 3.23Å; S307-Q409 PolarHBondContact OG-OE1 3.18Å; I374-Q409 HydrophobicContact CG2-CG 4.24Å; T392-Q409 HydrophobicContact CG2-CG 4.03Å; A405-Q409 VanDerWaalsContact O-CB 3.26Å; A405-Q409 WeakPolarHBondContact O-CB 3.23Å; A405-Q409 WeakPolarHBondContact O-CG 3.45Å; A405-Q409 PolarHBondContact O-N 3.46Å; F406-Q409 WeakPolarHBondContact O-CB 3.4Å; F406-Q409 PolarHBondContact O-N 2.89Å; Q409-T411 VanDerWaalsContact C-N 3.28Å; Q409-T411 PolarHBondContact O-N 3.22Å; Q409-V412 PolarHBondContact O-N 2.99Å; Q409-L413 WeakPolarHBondContact O-CB 3.29Å; Q409-L413 WeakPolarHBondContact O-CD1 3.22Å; Q409-L413 VanDerWaalsContact O-CG 3.3Å; Q409-L413 WeakPolarHBondContact O-CG 3.44Å; Q409-L413 PolarHBondContact O-N 3.36Å
410L99Very high98.3Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-59.8-39.5176.3-72.1-178.8000112.4S307 V310 W314 F406 L413 L414 I575S307-L410 WeakPolarHBondContact O-CD2 3.3Å; V310-L410 HydrophobicContact CB-CD2 3.57Å; V310-L410 HydrophobicContact CG1-CD2 3.83Å; V310-L410 HydrophobicContact CG2-CD1 4.42Å; V310-L410 HydrophobicContact CG2-CD2 3.93Å; W314-L410 HydrophobicContact CH2-CB 3.98Å; W314-L410 HydrophobicContact CH2-CD2 3.76Å; W314-L410 HydrophobicContact CH2-CG 4.3Å; W314-L410 HydrophobicContact CZ3-CB 4.22Å; W314-L410 HydrophobicContact CZ3-CD2 3.8Å; F406-L410 HydrophobicContact CD1-CD1 3.93Å; F406-L410 HydrophobicContact CE1-CD1 3.36Å; F406-L410 HydrophobicContact CE1-CG 4.26Å; F406-L410 HydrophobicContact CE2-CD1 4.49Å; F406-L410 HydrophobicContact CZ-CD1 3.71Å; F406-L410 HydrophobicContact CZ-CG 4.37Å; F406-L410 WeakPolarHBondContact O-CG 3.3Å; F406-L410 PolarHBondContact O-N 3.49Å; L410-L413 HydrophobicContact CD2-CD1 4.35Å; L410-L413 PolarHBondContact O-N 3.17Å; L410-L414 WeakPolarHBondContact O-CB 2.98Å; L410-L414 PolarHBondContact O-N 3.29Å; L410-I575 HydrophobicContact CB-CD1 3.82Å; L410-I575 HydrophobicContact CB-CG1 3.73Å; L410-I575 HydrophobicContact CD1-CB 4.48Å; L410-I575 HydrophobicContact CD1-CG1 3.83Å; L410-I575 HydrophobicContact CG-CG1 4.43Å
411T99Very high98.6Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-60.8-45.6175.8-620000111.5I264 T267 L268 T407 T408 Q409 L414 M415 L438I264-T411 HydrophobicContact CG2-CG2 4.23Å; T267-T411 HydrophobicContact CG2-CG2 3.75Å; L268-T411 HydrophobicContact CD2-CG2 3.7Å; L268-T411 HydrophobicContact CG-CG2 4.2Å; T407-T411 PolarHBondContact O-N 3.24Å; T407-T411 PolarHBondContact O-OG1 3.45Å; T408-T411 WeakPolarHBondContact O-CB 3.42Å; T408-T411 PolarHBondContact O-N 3.32Å; Q409-T411 VanDerWaalsContact C-N 3.28Å; Q409-T411 PolarHBondContact O-N 3.22Å; T411-L414 PolarHBondContact O-N 3.36Å; T411-M415 HydrophobicContact CG2-CE 4.36Å; T411-M415 PolarHBondContact O-N 3.34Å; T411-M415 VanDerWaalsContact O-N 3.12Å; T411-L438 HydrophobicContact CG2-CD2 4Å
412V98.9Very high98.7Very high1 Ų15.3 Ų5.31%0.0062%0.023CC..Hα-helixtrans-66.2-42.8176.4176.50000111.7T267 I374 L390 T392 T408 Q409 L414 M415 L416T267-V412 HydrophobicContact CG2-CG2 3.43Å; T267-V412 VanDerWaalsContact CG2-CG2 3.43Å; I374-V412 HydrophobicContact CD1-CG1 3.84Å; I374-V412 HydrophobicContact CG1-CG1 3.95Å; I374-V412 HydrophobicContact CG2-CB 4.08Å; I374-V412 HydrophobicContact CG2-CG1 3.91Å; L390-V412 HydrophobicContact CB-CG1 3.74Å; L390-V412 HydrophobicContact CD1-CG1 3.74Å; L390-V412 HydrophobicContact CG-CG1 4.35Å; T392-V412 HydrophobicContact CG2-CG2 4.07Å; T408-V412 WeakPolarHBondContact O-CG2 3.3Å; T408-V412 PolarHBondContact O-N 3.24Å; Q409-V412 PolarHBondContact O-N 2.99Å; V412-L414 VanDerWaalsContact C-N 3.3Å; V412-L414 PolarHBondContact O-N 2.85Å; V412-M415 HydrophobicContact CB-CE 4.39Å; V412-M415 HydrophobicContact CG2-CE 4.04Å; V412-M415 PolarHBondContact O-N 2.89Å; V412-L416 PolarHBondContact O-N 2.94Å
413L99Very high98.7Very high0 Ų06.9 Ų6.90%03%0.03CC..Hα-helixtrans-59.4-42.6177.3-73.8159.9000111.2I298 W314 F315 L347 I374 Q409 L410 L416 V417I298-L413 HydrophobicContact CD1-CD2 4.48Å; W314-L413 HydrophobicContact CZ3-CB 4.39Å; F315-L413 HydrophobicContact CE2-CD2 4.16Å; F315-L413 HydrophobicContact CZ-CD2 4.35Å; L347-L413 HydrophobicContact CD1-CD1 3.91Å; L347-L413 HydrophobicContact CD1-CD2 4.45Å; L347-L413 HydrophobicContact CD2-CD1 4.14Å; L347-L413 HydrophobicContact CD2-CD2 4.03Å; L347-L413 HydrophobicContact CD2-CG 4.26Å; I374-L413 HydrophobicContact CD1-CD2 3.67Å; I374-L413 HydrophobicContact CD1-CG 4Å; Q409-L413 WeakPolarHBondContact O-CB 3.29Å; Q409-L413 WeakPolarHBondContact O-CD1 3.22Å; Q409-L413 VanDerWaalsContact O-CG 3.3Å; Q409-L413 WeakPolarHBondContact O-CG 3.44Å; Q409-L413 PolarHBondContact O-N 3.36Å; L410-L413 HydrophobicContact CD2-CD1 4.35Å; L410-L413 PolarHBondContact O-N 3.17Å; L413-L416 WeakPolarHBondContact O-CB 3.4Å; L413-L416 PolarHBondContact O-N 3.09Å; L413-L416 VanDerWaalsContact O-N 3.14Å; L413-V417 WeakPolarHBondContact O-CG2 3.41Å; L413-V417 PolarHBondContact O-N 3.18Å
414L98.9Very high98.6Very high0 Ų011.7 Ų11.70%05%0.051CC..Hα-helixtrans-68.5-36.9179-162.767000112.3W314 L318 L410 T411 V412 L416 V417 A418 I434 L438 V571 I572W314-L414 HydrophobicContact CB-CD1 4.31Å; W314-L414 HydrophobicContact CD2-CD1 3.6Å; W314-L414 HydrophobicContact CE3-CB 4.24Å; W314-L414 HydrophobicContact CE3-CD1 3.71Å; W314-L414 HydrophobicContact CG-CD1 3.89Å; W314-L414 HydrophobicContact CZ2-CD1 4.44Å; W314-L414 HydrophobicContact CZ3-CB 4.09Å; W314-L414 HydrophobicContact CZ3-CD1 4.2Å; L318-L414 HydrophobicContact CD1-CD1 4.43Å; L410-L414 WeakPolarHBondContact O-CB 2.98Å; L410-L414 PolarHBondContact O-N 3.29Å; T411-L414 PolarHBondContact O-N 3.36Å; V412-L414 VanDerWaalsContact C-N 3.3Å; V412-L414 PolarHBondContact O-N 2.85Å; L414-L416 VanDerWaalsContact C-N 3.3Å; L414-L416 PolarHBondContact O-N 2.81Å; L414-V417 WeakPolarHBondContact O-CB 3.32Å; L414-V417 PolarHBondContact O-N 2.97Å; L414-A418 PolarHBondContact O-N 3.17Å; L414-A418 VanDerWaalsContact O-N 3.11Å; L414-I434 HydrophobicContact CD1-CG1 4.38Å; L414-I434 HydrophobicContact CD2-CG2 4.13Å; L414-I434 HydrophobicContact CG-CG1 4.42Å; L414-I434 HydrophobicContact CG-CG2 3.75Å; L414-L438 HydrophobicContact CB-CD2 4.42Å; L414-L438 HydrophobicContact CD2-CD2 3.79Å; L414-L438 HydrophobicContact CD2-CG 4.03Å; L414-V571 HydrophobicContact CD1-CG2 4Å; L414-V571 HydrophobicContact CD2-CG2 4.13Å; L414-I572 HydrophobicContact CD2-CG2 3.91Å
415M98.9Very high98.5Very high1 Ų114.6 Ų14.61%0.0058%0.082CC..Hα-helixtrans-60.8-39.4169.1-73.8-171.4-67.600112T267 L268 R271 I272 V277 T411 V412 A418 K419 L438T267-M415 HydrophobicContact CG2-CE 4.09Å; L268-M415 HydrophobicContact CD2-CE 4.45Å; L268-M415 HydrophobicContact CD2-SD 3.88Å; R271-M415 HydrophobicContact CB-CE 4.47Å; R271-M415 HydrophobicContact CB-SD 3.73Å; I272-M415 HydrophobicContact CD1-SD 4.47Å; V277-M415 HydrophobicContact CG1-CB 3.88Å; V277-M415 HydrophobicContact CG1-CG 4.3Å; V277-M415 HydrophobicContact CG2-CB 4.37Å; V277-M415 HydrophobicContact CG2-CG 4.31Å; T411-M415 HydrophobicContact CG2-CE 4.36Å; T411-M415 PolarHBondContact O-N 3.34Å; T411-M415 VanDerWaalsContact O-N 3.12Å; V412-M415 HydrophobicContact CB-CE 4.39Å; V412-M415 HydrophobicContact CG2-CE 4.04Å; V412-M415 PolarHBondContact O-N 2.89Å; M415-A418 PolarHBondContact O-N 2.92Å; M415-K419 PolarHBondContact O-N 3.42Å; M415-L438 HydrophobicContact CG-CD1 3.49Å; M415-L438 VanDerWaalsContact CG-CD1 3.49Å
416L98.9Very high98.5Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-66.6-39.3177.1-171.762.4000111.8L279 F315 I345 L372 V412 L413 L414 A418 K419 L420L279-L416 HydrophobicContact CD1-CD1 4.05Å; F315-L416 HydrophobicContact CE1-CD2 4.47Å; F315-L416 HydrophobicContact CE1-CG 4.3Å; F315-L416 HydrophobicContact CZ-CB 4.44Å; F315-L416 HydrophobicContact CZ-CD2 4.09Å; F315-L416 HydrophobicContact CZ-CG 4.32Å; I345-L416 HydrophobicContact CD1-CD2 3.68Å; L372-L416 HydrophobicContact CD2-CD1 4.26Å; L372-L416 HydrophobicContact CD2-CD2 3.55Å; V412-L416 PolarHBondContact O-N 2.94Å; L413-L416 WeakPolarHBondContact O-CB 3.4Å; L413-L416 PolarHBondContact O-N 3.09Å; L413-L416 VanDerWaalsContact O-N 3.14Å; L414-L416 VanDerWaalsContact C-N 3.3Å; L414-L416 PolarHBondContact O-N 2.81Å; L416-A418 PolarHBondContact O-N 2.9Å; L416-K419 PolarHBondContact O-N 3.02Å; L416-L420 HydrophobicContact CD1-CG 4.36Å; L416-L420 HydrophobicContact CG-CD1 4.2Å; L416-L420 HydrophobicContact CG-CG 4.43Å; L416-L420 WeakPolarHBondContact O-CB 3.42Å; L416-L420 VanDerWaalsContact O-CG 3.3Å; L416-L420 WeakPolarHBondContact O-CG 3.3Å; L416-L420 PolarHBondContact O-N 2.84Å
417V98.9Very high98.4Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-56.3-50.1172.8173.20000110.6W314 F315 L318 A319 L413 L414 L420 S421 I434W314-V417 HydrophobicContact CB-CG1 4.37Å; W314-V417 HydrophobicContact CB-CG2 3.76Å; F315-V417 HydrophobicContact CD1-CB 4.35Å; F315-V417 HydrophobicContact CD1-CG2 3.48Å; F315-V417 VanDerWaalsContact CD1-CG2 3.48Å; F315-V417 HydrophobicContact CD2-CG2 4.36Å; F315-V417 HydrophobicContact CE1-CB 4.26Å; F315-V417 HydrophobicContact CE1-CG2 3.43Å; F315-V417 VanDerWaalsContact CE1-CG2 3.43Å; F315-V417 HydrophobicContact CE2-CG2 4.32Å; F315-V417 HydrophobicContact CG-CG2 3.95Å; F315-V417 HydrophobicContact CZ-CG2 3.86Å; L318-V417 HydrophobicContact CB-CG1 3.85Å; L318-V417 HydrophobicContact CD1-CG1 4.24Å; A319-V417 HydrophobicContact CB-CG1 4.15Å; L413-V417 WeakPolarHBondContact O-CG2 3.41Å; L413-V417 PolarHBondContact O-N 3.18Å; L414-V417 WeakPolarHBondContact O-CB 3.32Å; L414-V417 PolarHBondContact O-N 2.97Å; V417-L420 PolarHBondContact O-N 3.46Å; V417-S421 PolarHBondContact O-N 3.17Å; V417-S421 PolarHBondContact O-OG 2.89Å; V417-I434 HydrophobicContact CG1-CD1 4.03Å
418A98.8Very high98.3Very high0 Ų026.6 Ų26.60%016%0.156CC..Hα-helixtrans-60.5-44.4177.500000112.7V277 L414 M415 L416 L420 S421 R422 E431 I434V277-A418 HydrophobicContact CB-CB 4.5Å; V277-A418 HydrophobicContact CG2-CB 3.72Å; L414-A418 PolarHBondContact O-N 3.17Å; L414-A418 VanDerWaalsContact O-N 3.11Å; M415-A418 PolarHBondContact O-N 2.92Å; L416-A418 PolarHBondContact O-N 2.9Å; A418-L420 PolarHBondContact O-N 3.47Å; A418-S421 PolarHBondContact O-N 3.01Å; A418-S421 PolarHBondContact O-OG 3.43Å; A418-R422 PolarHBondContact O-N 3.08Å; A418-R422 VanDerWaalsContact O-N 3.16Å; A418-E431 HydrophobicContact CB-CB 4.24Å; A418-E431 HydrophobicContact CB-CG 4.03Å; A418-I434 HydrophobicContact CB-CB 4.19Å; A418-I434 HydrophobicContact CB-CD1 3.8Å; A418-I434 HydrophobicContact CB-CG2 3.83Å
419K98.6Very high98.2Very high8 Ų829 Ų294%0.03517%0.173CC..Hα-helixtrans-61.1-45.4177.4178.562.6177.5-1780111.6V277 L279 D287 M415 L416 R422 L423V277-K419 HydrophobicContact CG1-CB 4.5Å; L279-K419 HydrophobicContact CD1-CB 3.92Å; L279-K419 HydrophobicContact CD1-CG 3.97Å; L279-K419 HydrophobicContact CG-CB 4.46Å; L279-K419 HydrophobicContact CG-CG 4.42Å; D287-K419 WeakPolarHBondContact OD1-CE 3.32Å; D287-K419 IonicContact OD1-NZ 3.87Å; D287-K419 PolarHBondContact OD1-NZ 3.31Å; D287-K419 IonicContact OD2-NZ 3.06Å; D287-K419 PolarHBondContact OD2-NZ 2.78Å; M415-K419 PolarHBondContact O-N 3.42Å; L416-K419 PolarHBondContact O-N 3.02Å; K419-R422 PolarHBondContact O-N 3.05Å; K419-L423 HydrophobicContact CD-CD1 4.5Å; K419-L423 HydrophobicContact CD-CG 4.48Å; K419-L423 HydrophobicContact CG-CD1 4.35Å; K419-L423 WeakPolarHBondContact O-CG 3.42Å; K419-L423 PolarHBondContact O-N 3.03Å
420L98.6Very high98.2Very high2 Ų230.8 Ų30.81%0.0118%0.182CC..Hα-helixtrans-70.9-36.4-178.8-67.7179.5000112.6L290 I296 F315 I321 L416 V417 A418 R422 L423 K424L290-L420 HydrophobicContact CB-CD2 3.94Å; L290-L420 HydrophobicContact CD2-CD2 4.27Å; I296-L420 HydrophobicContact CD1-CD1 3.74Å; F315-L420 HydrophobicContact CD1-CD1 4.37Å; F315-L420 HydrophobicContact CE1-CD1 3.96Å; I321-L420 HydrophobicContact CD1-CB 3.73Å; I321-L420 HydrophobicContact CD1-CD1 3.93Å; I321-L420 HydrophobicContact CD1-CG 4.39Å; L416-L420 HydrophobicContact CD1-CG 4.36Å; L416-L420 HydrophobicContact CG-CD1 4.2Å; L416-L420 HydrophobicContact CG-CG 4.43Å; L416-L420 WeakPolarHBondContact O-CB 3.42Å; L416-L420 VanDerWaalsContact O-CG 3.3Å; L416-L420 WeakPolarHBondContact O-CG 3.3Å; L416-L420 PolarHBondContact O-N 2.84Å; V417-L420 PolarHBondContact O-N 3.46Å; A418-L420 PolarHBondContact O-N 3.47Å; L420-R422 VanDerWaalsContact C-N 3.32Å; L420-R422 PolarHBondContact O-N 3.26Å; L420-L423 HydrophobicContact CD2-CD1 4.47Å; L420-L423 PolarHBondContact O-N 3.3Å; L420-K424 PolarHBondContact O-N 3.25Å
421S98.4Very high98.2Very high1 Ų131.2 Ų31.21%0.00718%0.184CC..Hα-helixtrans-61.3-42.8175.370.20000111.1V417 A418 K424 G425 L426V417-S421 PolarHBondContact O-N 3.17Å; V417-S421 PolarHBondContact O-OG 2.89Å; A418-S421 PolarHBondContact O-N 3.01Å; A418-S421 PolarHBondContact O-OG 3.43Å; S421-K424 PolarHBondContact O-N 3.42Å; S421-G425 PolarHBondContact O-N 3.13Å; S421-L426 WeakPolarHBondContact O-CB 3.42Å; S421-L426 PolarHBondContact O-N 2.75Å; S421-L426 VanDerWaalsContact O-N 3.1Å
422R97.9Very high98.1Very high81 Ų8136.7 Ų36.731%0.30621%0.21SC..Hα-helixtrans-63.6-44.8173.7179.216954.194.3-10.3112.5V277 A418 K419 L420 K424 G425 E431V277-R422 PolarHBondContact O-NH2 2.85Å; V277-R422 VanDerWaalsContact O-NH2 3.15Å; A418-R422 PolarHBondContact O-N 3.08Å; A418-R422 VanDerWaalsContact O-N 3.16Å; K419-R422 PolarHBondContact O-N 3.05Å; L420-R422 VanDerWaalsContact C-N 3.32Å; L420-R422 PolarHBondContact O-N 3.26Å; R422-K424 PolarHBondContact O-N 2.85Å; R422-G425 PolarHBondContact O-N 2.76Å; R422-E431 WeakPolarHBondContact CD-OE2 3.33Å; R422-E431 IonicContact NE-OE1 3.61Å; R422-E431 IonicContact NE-OE2 3.79Å; R422-E431 PolarHBondContact NE-OE2 2.76Å; R422-E431 VanDerWaalsContact NE-OE2 3.13Å
423L97.7Very high98.1Very high45 Ų4541.2 Ų41.224%0.23623%0.234CC..Hα-helixtrans-63.9-28.3178.2-72179.4000112.9D287 L290 K419 L420 G425D287-L423 HydrophobicContact CB-CD2 4.31Å; L290-L423 HydrophobicContact CB-CD1 3.55Å; L290-L423 HydrophobicContact CD1-CD1 4.47Å; K419-L423 HydrophobicContact CD-CD1 4.5Å; K419-L423 HydrophobicContact CD-CG 4.48Å; K419-L423 HydrophobicContact CG-CD1 4.35Å; K419-L423 WeakPolarHBondContact O-CG 3.42Å; K419-L423 PolarHBondContact O-N 3.03Å; L420-L423 HydrophobicContact CD2-CD1 4.47Å; L420-L423 PolarHBondContact O-N 3.3Å; L423-G425 VanDerWaalsContact C-N 3.26Å; L423-G425 PolarHBondContact O-N 3.36Å
424K96.8Very high98.1Very high101 Ų10141.3 Ų41.344%0.43923%0.234SC..THydrogen-bonded Turntrans-78.3-6.7172-76.8-17566.8-1770114.2A319 G320 I321 L420 S421 R422 L426A319-K424 PolarHBondContact O-NZ 2.86Å; A319-K424 VanDerWaalsContact O-NZ 3.08Å; G320-K424 PolarHBondContact O-NZ 2.68Å; I321-K424 HydrophobicContact CD1-CD 3.7Å; I321-K424 HydrophobicContact CG1-CD 3.57Å; L420-K424 PolarHBondContact O-N 3.25Å; S421-K424 PolarHBondContact O-N 3.42Å; R422-K424 PolarHBondContact O-N 2.85Å; K424-L426 HydrophobicContact CB-CG 4.19Å
425G96.7Very high98.1Very high65 Ų6541.5 Ų41.567%0.6724%0.235SC*.THydrogen-bonded Turntrans70.130.5-177.200000113.5S421 R422 L423S421-G425 PolarHBondContact O-N 3.13Å; R422-G425 PolarHBondContact O-N 2.76Å; L423-G425 VanDerWaalsContact C-N 3.26Å; L423-G425 PolarHBondContact O-N 3.36Å
426L97.4Very high98.1Very high70 Ų7046.2 Ų46.237%0.36626%0.257SS..  trans-72175.4169.8-58.7-174.7000111.1A319 S421 K424 A428 I430A319-L426 WeakPolarHBondContact O-CD1 3.25Å; S421-L426 WeakPolarHBondContact O-CB 3.42Å; S421-L426 PolarHBondContact O-N 2.75Å; S421-L426 VanDerWaalsContact O-N 3.1Å; K424-L426 HydrophobicContact CB-CG 4.19Å; L426-A428 PolarHBondContact O-N 3.34Å; L426-I430 HydrophobicContact CB-CD1 4.07Å; L426-I430 HydrophobicContact CD1-CD1 4.42Å
427D96.8Very high98.1Very high107 Ų10746.2 Ų46.257%0.57226%0.257SS*.  trans-59.1131.1179.7-166.8-16.8000111.1S429 I430D427-S429 PolarHBondContact O-N 3.46Å; D427-S429 PolarHBondContact OD1-N 2.81Å; D427-S429 PolarHBondContact OD1-OG 3.23Å; D427-S429 PolarHBondContact OD2-OG 2.74Å; D427-S429 VanDerWaalsContact OD2-OG 3.07Å; D427-I430 HydrophobicContact CB-CD1 4.46Å; D427-I430 WeakPolarHBondContact O-CB 3.4Å; D427-I430 PolarHBondContact O-N 2.82Å; D427-I430 VanDerWaalsContact O-N 3.16Å
428A96.9Very high98.1Very high76 Ų7646.2 Ų46.263%0.62826%0.257SS*.Hα-helixtrans-64.1-20.217900000112.6L426 I430 E431 H432L426-A428 PolarHBondContact O-N 3.34Å; A428-I430 PolarHBondContact O-N 2.69Å; A428-E431 PolarHBondContact O-N 3.35Å; A428-H432 PolarHBondContact O-N 2.81Å; A428-H432 VanDerWaalsContact O-N 3.09Å
429S97.7Very high98Very high50 Ų5051.6 Ų51.635%0.3528%0.282SS..Hα-helixtrans-56.9-33.8172.759.10000112.6D427 H432 D433D427-S429 PolarHBondContact O-N 3.46Å; D427-S429 PolarHBondContact OD1-N 2.81Å; D427-S429 PolarHBondContact OD1-OG 3.23Å; D427-S429 PolarHBondContact OD2-OG 2.74Å; D427-S429 VanDerWaalsContact OD2-OG 3.07Å; S429-H432 WeakPolarHBondContact O-CB 3.09Å; S429-H432 PolarHBondContact O-N 2.82Å; S429-D433 VanDerWaalsContact O-CG 3.28Å; S429-D433 PolarHBondContact O-N 2.89Å
430I98.3Very high98Very high39 Ų3952 Ų5220%0.229%0.287CS..Hα-helixtrans-63.7-49.5-179.4-59.8168.7000110.9L318 L426 D427 A428 H432 I434L318-I430 HydrophobicContact CB-CG2 4.05Å; L426-I430 HydrophobicContact CB-CD1 4.07Å; L426-I430 HydrophobicContact CD1-CD1 4.42Å; D427-I430 HydrophobicContact CB-CD1 4.46Å; D427-I430 WeakPolarHBondContact O-CB 3.4Å; D427-I430 PolarHBondContact O-N 2.82Å; D427-I430 VanDerWaalsContact O-N 3.16Å; A428-I430 PolarHBondContact O-N 2.69Å; I430-H432 VanDerWaalsContact C-N 3.32Å; I430-I434 HydrophobicContact CG2-CD1 4.08Å; I430-I434 WeakPolarHBondContact O-CD1 3.27Å; I430-I434 VanDerWaalsContact O-CG1 3.31Å; I430-I434 WeakPolarHBondContact O-CG1 3.38Å; I430-I434 PolarHBondContact O-N 3.42Å; I430-I434 VanDerWaalsContact O-N 3.13Å
431E98.6Very high98Very high8 Ų851.9 Ų51.94%0.03729%0.286CS..Hα-helixtrans-65-39.3176.2173.4167.9-146.500110.9V277 A418 R422 A428 D433 I434 V435V277-E431 PolarHBondContact N-OE1 3.31Å; A418-E431 HydrophobicContact CB-CB 4.24Å; A418-E431 HydrophobicContact CB-CG 4.03Å; R422-E431 WeakPolarHBondContact CD-OE2 3.33Å; R422-E431 IonicContact NE-OE1 3.61Å; R422-E431 IonicContact NE-OE2 3.79Å; R422-E431 PolarHBondContact NE-OE2 2.76Å; R422-E431 VanDerWaalsContact NE-OE2 3.13Å; A428-E431 PolarHBondContact O-N 3.35Å; E431-D433 PolarHBondContact O-N 2.93Å; E431-I434 PolarHBondContact O-N 3.13Å; E431-V435 HydrophobicContact CG-CG2 4.17Å; E431-V435 WeakPolarHBondContact O-CB 3.43Å; E431-V435 VanDerWaalsContact O-CG2 3.26Å; E431-V435 WeakPolarHBondContact O-CG2 3.47Å; E431-V435 PolarHBondContact O-N 3.16Å
432H98.4Very high98.1Very high115 Ų11553 Ų5353%0.53229%0.294SS..Hα-helixtrans-59.6-47.2177.8179.8-83.8000112.3A428 S429 I430 V435 H436A428-H432 PolarHBondContact O-N 2.81Å; A428-H432 VanDerWaalsContact O-N 3.09Å; S429-H432 WeakPolarHBondContact O-CB 3.09Å; S429-H432 PolarHBondContact O-N 2.82Å; I430-H432 VanDerWaalsContact C-N 3.32Å; H432-V435 PolarHBondContact O-N 3.24Å; H432-H436 WeakPolarHBondContact O-CB 3.27Å; H432-H436 PolarHBondContact O-N 3.49Å
433D98.4Very high98.1Very high96 Ų9652.2 Ų52.251%0.51330%0.301SS..Hα-helixtrans-67.9-37.9-179.2-67.7-12.8000111.6S429 E431 G437S429-D433 VanDerWaalsContact O-CG 3.28Å; S429-D433 PolarHBondContact O-N 2.89Å; E431-D433 PolarHBondContact O-N 2.93Å; D433-G437 PolarHBondContact O-N 3.32Å
434I98.8Very high98.1Very high2 Ų253.2 Ų53.21%0.0130%0.301CS..Hα-helixtrans-60.8-51.1171.7-72.3166.1000110.7L318 L414 V417 A418 I430 E431 H436 G437 L438 V571L318-I434 HydrophobicContact CD1-CD1 4.12Å; L318-I434 HydrophobicContact CD1-CG1 4.37Å; L414-I434 HydrophobicContact CD1-CG1 4.38Å; L414-I434 HydrophobicContact CD2-CG2 4.13Å; L414-I434 HydrophobicContact CG-CG1 4.42Å; L414-I434 HydrophobicContact CG-CG2 3.75Å; V417-I434 HydrophobicContact CG1-CD1 4.03Å; A418-I434 HydrophobicContact CB-CB 4.19Å; A418-I434 HydrophobicContact CB-CD1 3.8Å; A418-I434 HydrophobicContact CB-CG2 3.83Å; I430-I434 HydrophobicContact CG2-CD1 4.08Å; I430-I434 WeakPolarHBondContact O-CD1 3.27Å; I430-I434 VanDerWaalsContact O-CG1 3.31Å; I430-I434 WeakPolarHBondContact O-CG1 3.38Å; I430-I434 PolarHBondContact O-N 3.42Å; I430-I434 VanDerWaalsContact O-N 3.13Å; E431-I434 PolarHBondContact O-N 3.13Å; I434-H436 VanDerWaalsContact C-N 3.32Å; I434-H436 PolarHBondContact O-N 3.26Å; I434-G437 PolarHBondContact O-N 2.99Å; I434-L438 HydrophobicContact CG2-CD1 3.84Å; I434-L438 HydrophobicContact CG2-CG 4.26Å; I434-L438 WeakPolarHBondContact O-CB 3.26Å; I434-L438 WeakPolarHBondContact O-CG 3.47Å; I434-L438 PolarHBondContact O-N 3.13Å; I434-V571 HydrophobicContact CG1-CG2 3.84Å
435V98.7Very high98.2Very high4 Ų448.4 Ų48.42%0.02428%0.281CS..Hα-helixtrans-61.6-42.4-178.8169.30000110.6I272 V277 E431 H432 L438 Q439I272-V435 HydrophobicContact CD1-CG1 4.31Å; I272-V435 HydrophobicContact CD1-CG2 4.18Å; I272-V435 HydrophobicContact CG2-CG1 3.8Å; V277-V435 HydrophobicContact CG2-CG2 3.81Å; E431-V435 HydrophobicContact CG-CG2 4.17Å; E431-V435 WeakPolarHBondContact O-CB 3.43Å; E431-V435 VanDerWaalsContact O-CG2 3.26Å; E431-V435 WeakPolarHBondContact O-CG2 3.47Å; E431-V435 PolarHBondContact O-N 3.16Å; H432-V435 PolarHBondContact O-N 3.24Å; V435-L438 PolarHBondContact O-N 3.06Å; V435-Q439 HydrophobicContact CG1-CG 4.39Å; V435-Q439 WeakPolarHBondContact O-CB 3.35Å; V435-Q439 VanDerWaalsContact O-CG 3.32Å; V435-Q439 WeakPolarHBondContact O-CG 3.25Å; V435-Q439 PolarHBondContact O-N 2.75Å
436H98.5Very high98.3Very high100 Ų10051.6 Ų51.646%0.46328%0.278SS..Hα-helixtrans-59.6-49.7175.8179.6-83.3000111.5H432 I434 L438 Q439 A440 E569H432-H436 WeakPolarHBondContact O-CB 3.27Å; H432-H436 PolarHBondContact O-N 3.49Å; I434-H436 VanDerWaalsContact C-N 3.32Å; I434-H436 PolarHBondContact O-N 3.26Å; H436-L438 PolarHBondContact O-N 2.95Å; H436-Q439 PolarHBondContact O-N 3.45Å; H436-A440 PolarHBondContact O-N 3.31Å; H436-A440 VanDerWaalsContact O-N 3.11Å; H436-E569 IonicContact CE1-OE1 3.98Å
437G98.6Very high98.3Very high0 Ų052.4 Ų52.40%028%0.28CS..Hα-helixtrans-57.7-47.8176.200000112D433 I434 Q439 A440 L441 I572D433-G437 PolarHBondContact O-N 3.32Å; I434-G437 PolarHBondContact O-N 2.99Å; G437-Q439 VanDerWaalsContact C-N 3.34Å; G437-Q439 PolarHBondContact O-N 2.91Å; G437-A440 PolarHBondContact O-N 2.85Å; G437-A440 VanDerWaalsContact O-N 3.17Å; G437-L441 PolarHBondContact O-N 3.17Å; G437-I572 WeakPolarHBondContact O-CD1 3.29Å
438L98.8Very high98.4Very high0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-61.4-38.8178.8-73.8179.9000113.1L268 T411 L414 M415 I434 V435 H436 A440 L441 P442 I572L268-L438 VanDerWaalsContact CD1-O 3.29Å; L268-L438 WeakPolarHBondContact CD1-O 3.46Å; L268-L438 HydrophobicContact CD2-CB 4.06Å; L268-L438 HydrophobicContact CD2-CD1 4.23Å; T411-L438 HydrophobicContact CG2-CD2 4Å; L414-L438 HydrophobicContact CB-CD2 4.42Å; L414-L438 HydrophobicContact CD2-CD2 3.79Å; L414-L438 HydrophobicContact CD2-CG 4.03Å; M415-L438 HydrophobicContact CG-CD1 3.49Å; M415-L438 VanDerWaalsContact CG-CD1 3.49Å; I434-L438 HydrophobicContact CG2-CD1 3.84Å; I434-L438 HydrophobicContact CG2-CG 4.26Å; I434-L438 WeakPolarHBondContact O-CB 3.26Å; I434-L438 WeakPolarHBondContact O-CG 3.47Å; I434-L438 PolarHBondContact O-N 3.13Å; V435-L438 PolarHBondContact O-N 3.06Å; H436-L438 PolarHBondContact O-N 2.95Å; L438-A440 VanDerWaalsContact C-N 3.34Å; L438-L441 HydrophobicContact CD2-CD2 4.3Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 2.68Å; L438-P442 WeakPolarHBondContact O-CD 3.3Å; L438-I572 HydrophobicContact CD2-CG2 4.26Å
439Q98.5Very high98.4Very high113 Ų11344.4 Ų44.453%0.52823%0.226SC..Hα-helixtrans-68-32.7176.6-74.6179.2-30.200112.8V435 H436 G437V435-Q439 HydrophobicContact CG1-CG 4.39Å; V435-Q439 WeakPolarHBondContact O-CB 3.35Å; V435-Q439 VanDerWaalsContact O-CG 3.32Å; V435-Q439 WeakPolarHBondContact O-CG 3.25Å; V435-Q439 PolarHBondContact O-N 2.75Å; H436-Q439 PolarHBondContact O-N 3.45Å; G437-Q439 VanDerWaalsContact C-N 3.34Å; G437-Q439 PolarHBondContact O-N 2.91Å
440A98.5Very high98.4Very high16 Ų1645.8 Ų45.813%0.13224%0.236CC..Hα-helixtrans-77.4-27.8175.800000112.9H436 G437 L438 S443 R444H436-A440 PolarHBondContact O-N 3.31Å; H436-A440 VanDerWaalsContact O-N 3.11Å; G437-A440 PolarHBondContact O-N 2.85Å; G437-A440 VanDerWaalsContact O-N 3.17Å; L438-A440 VanDerWaalsContact C-N 3.34Å; A440-S443 PolarHBondContact O-N 3.07Å; A440-S443 VanDerWaalsContact O-N 3.16Å; A440-S443 PolarHBondContact O-OG 2.85Å; A440-R444 HydrophobicContact CB-CG 4.35Å; A440-R444 WeakPolarHBondContact O-CG 3.38Å; A440-R444 PolarHBondContact O-N 2.89Å; A440-R444 VanDerWaalsContact O-N 3.09Å
441L98.7Very high98.3Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-51.4-43.6-171-177.258.4000115.4I264 G437 L438 S443 R444 I445 I572 I575I264-L441 HydrophobicContact CD1-CD2 4.08Å; I264-L441 HydrophobicContact CD1-CG 4.14Å; I264-L441 HydrophobicContact CG2-CD2 3.97Å; I264-L441 HydrophobicContact CG2-CG 4.23Å; G437-L441 PolarHBondContact O-N 3.17Å; L438-L441 HydrophobicContact CD2-CD2 4.3Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 2.68Å; L441-S443 PolarHBondContact O-N 3.42Å; L441-R444 PolarHBondContact O-N 3.15Å; L441-I445 HydrophobicContact CD1-CD1 3.7Å; L441-I445 HydrophobicContact CD1-CG1 4Å; L441-I445 HydrophobicContact CG-CD1 3.96Å; L441-I445 PolarHBondContact O-N 2.84Å; L441-I572 HydrophobicContact CB-CD1 3.95Å; L441-I572 HydrophobicContact CD1-CB 4.13Å; L441-I572 HydrophobicContact CD1-CD1 3.79Å; L441-I572 HydrophobicContact CD2-CG2 4.32Å; L441-I572 HydrophobicContact CG-CD1 4.44Å; L441-I575 HydrophobicContact CD1-CB 4.18Å; L441-I575 HydrophobicContact CD1-CG2 4.16Å; L441-I575 HydrophobicContact CD2-CB 4.34Å; L441-I575 HydrophobicContact CD2-CD1 3.68Å; L441-I575 HydrophobicContact CD2-CG2 4.05Å
442P98.8Very high98.3Very high24 Ų2446.7 Ų46.716%0.15624%0.24CC..Hα-helixtrans-57.5-47.2178.1-27.536.6000113.7I264 L438 I445 E446I264-P442 HydrophobicContact CG2-CG 4.03Å; L438-P442 WeakPolarHBondContact O-CD 3.3Å; P442-I445 PolarHBondContact O-N 2.85Å; P442-E446 PolarHBondContact O-N 2.86Å
443S98.4Very high98.3Very high65 Ų6548 Ų4846%0.45524%0.244SC..Hα-helixtrans-73.6-30.8-179.360.30000112A440 L441 E446 Q447A440-S443 PolarHBondContact O-N 3.07Å; A440-S443 VanDerWaalsContact O-N 3.16Å; A440-S443 PolarHBondContact O-OG 2.85Å; L441-S443 PolarHBondContact O-N 3.42Å; S443-E446 PolarHBondContact O-N 2.8Å; S443-Q447 PolarHBondContact O-N 2.94Å
444R98.5Very high98.2Very high67 Ų6747.9 Ų47.925%0.25324%0.236SC..Hα-helixtrans-60.5-47.2170.7-64.3-68.9-178-139.6-2.3111.1A440 L441 Q447 M448 V568 E569 I572 F576A440-R444 HydrophobicContact CB-CG 4.35Å; A440-R444 WeakPolarHBondContact O-CG 3.38Å; A440-R444 PolarHBondContact O-N 2.89Å; A440-R444 VanDerWaalsContact O-N 3.09Å; L441-R444 PolarHBondContact O-N 3.15Å; R444-Q447 WeakPolarHBondContact O-CB 3.3Å; R444-Q447 PolarHBondContact O-N 3.49Å; R444-M448 PolarHBondContact O-N 3.29Å; R444-V568 HydrophobicContact CB-CG2 4.3Å; R444-V568 HydrophobicContact CG-CG2 4Å; R444-E569 IonicContact CZ-OE1 3.77Å; R444-E569 IonicContact CZ-OE2 3.68Å; R444-E569 IonicContact NE-OE1 3.82Å; R444-E569 PolarHBondContact NE-OE1 3.35Å; R444-E569 IonicContact NE-OE2 3.02Å; R444-E569 PolarHBondContact NE-OE2 3.11Å; R444-E569 IonicContact NH2-OE1 3.3Å; R444-E569 PolarHBondContact NH2-OE1 3.2Å; R444-E569 IonicContact NH2-OE2 3.44Å; R444-I572 HydrophobicContact CG-CD1 4.34Å; R444-F576 HydrophobicContact CB-CD2 3.9Å; R444-F576 HydrophobicContact CB-CE2 4.06Å; R444-F576 WeakPolarHBondContact O-CE2 3.47Å
445I98.7Very high98.2Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-66.8-38.6177.9-69.3169.1000111.2Q260 P261 I264 L441 P442 Q447 M448 L449 I575 V579Q260-I445 HydrophobicContact CB-CG2 4.07Å; P261-I445 HydrophobicContact CG-CB 4.23Å; P261-I445 HydrophobicContact CG-CG2 3.78Å; I264-I445 HydrophobicContact CD1-CD1 3.2Å; L441-I445 HydrophobicContact CD1-CD1 3.7Å; L441-I445 HydrophobicContact CD1-CG1 4Å; L441-I445 HydrophobicContact CG-CD1 3.96Å; L441-I445 PolarHBondContact O-N 2.84Å; P442-I445 PolarHBondContact O-N 2.85Å; I445-Q447 VanDerWaalsContact C-N 3.28Å; I445-Q447 PolarHBondContact O-N 2.68Å; I445-M448 WeakPolarHBondContact O-CB 3.32Å; I445-M448 PolarHBondContact O-N 2.83Å; I445-M448 VanDerWaalsContact O-N 3.07Å; I445-L449 HydrophobicContact CG2-CD1 4.19Å; I445-L449 HydrophobicContact CG2-CG 4.29Å; I445-L449 WeakPolarHBondContact O-CG 3.37Å; I445-L449 PolarHBondContact O-N 3.05Å; I445-I575 HydrophobicContact CD1-CG2 4.41Å; I445-V579 HydrophobicContact CD1-CG2 4.42Å; I445-V579 HydrophobicContact CG1-CG2 4.15Å; I445-V579 HydrophobicContact CG2-CG1 4.49Å; I445-V579 HydrophobicContact CG2-CG2 4Å
446E98.3Very high98.1Very high131 Ų13151.1 Ų51.161%0.61225%0.251SS*.Hα-helixtrans-59.2-41.3174.1-170.5169.9-153.700111.8P261 P442 S443 L449 S450P261-E446 HydrophobicContact CG-CB 4.19Å; P442-E446 PolarHBondContact O-N 2.86Å; S443-E446 PolarHBondContact O-N 2.8Å; E446-L449 PolarHBondContact O-N 3.29Å; E446-S450 PolarHBondContact O-N 2.6Å
447Q97.5Very high98.1Very high87 Ų8749 Ų4941%0.40725%0.251SS..Hα-helixtrans-64.2-39.7172.5-169.6-179.3-200112.1S443 R444 I445 S450 P566S443-Q447 PolarHBondContact O-N 2.94Å; R444-Q447 WeakPolarHBondContact O-CB 3.3Å; R444-Q447 PolarHBondContact O-N 3.49Å; I445-Q447 VanDerWaalsContact C-N 3.28Å; I445-Q447 PolarHBondContact O-N 2.68Å; Q447-S450 WeakPolarHBondContact O-CB 2.89Å; Q447-S450 PolarHBondContact O-N 3.03Å; Q447-S450 PolarHBondContact O-OG 2.85Å; Q447-P566 HydrophobicContact CG-CG 3.97Å
448M98.2Very high98Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-62.1-43.5175.8-179.147.952.600112.4R444 I445 S450 Q451 M565 F576 V579 P580R444-M448 PolarHBondContact O-N 3.29Å; I445-M448 WeakPolarHBondContact O-CB 3.32Å; I445-M448 PolarHBondContact O-N 2.83Å; I445-M448 VanDerWaalsContact O-N 3.07Å; M448-S450 PolarHBondContact O-N 2.8Å; M448-S450 VanDerWaalsContact O-N 3.15Å; M448-Q451 WeakPolarHBondContact O-CB 3.43Å; M448-Q451 PolarHBondContact O-N 3.5Å; M448-Q451 HydrophobicContact SD-CB 4.49Å; M448-M565 HydrophobicContact CE-CB 4.5Å; M448-M565 HydrophobicContact CE-CE 3.03Å; M448-M565 HydrophobicContact CE-SD 3.5Å; M448-M565 VanDerWaalsContact CE-SD 3.5Å; M448-M565 HydrophobicContact SD-CE 3.65Å; M448-M565 HydrophobicContact SD-SD 3.9Å; M448-F576 HydrophobicContact CB-CD2 4.35Å; M448-F576 HydrophobicContact CB-CE2 3.88Å; M448-F576 HydrophobicContact CB-CZ 4.4Å; M448-F576 HydrophobicContact CE-CD1 4.23Å; M448-F576 HydrophobicContact CE-CD2 4.47Å; M448-F576 HydrophobicContact CE-CE1 3.41Å; M448-F576 VanDerWaalsContact CE-CE1 3.41Å; M448-F576 HydrophobicContact CE-CE2 3.69Å; M448-F576 HydrophobicContact CE-CZ 3.11Å; M448-V579 HydrophobicContact CG-CB 3.86Å; M448-V579 HydrophobicContact CG-CG1 3.83Å; M448-P580 HydrophobicContact SD-CB 4.12Å; M448-P580 HydrophobicContact SD-CG 4.34Å
449L98.3Very high98Very high16 Ų1650 Ų508%0.08426%0.257CS..Hα-helixtrans-61.2-24.6178-67.9170.5000112.3I257 Y258 P261 I445 E446 Q451 D452 V579 L583I257-L449 HydrophobicContact CG2-CD2 3.82Å; Y258-L449 HydrophobicContact CD1-CD1 4.23Å; Y258-L449 HydrophobicContact CD1-CD2 4.38Å; Y258-L449 HydrophobicContact CD2-CD2 4.45Å; Y258-L449 HydrophobicContact CE1-CB 4.36Å; Y258-L449 HydrophobicContact CG-CD2 4.37Å; P261-L449 HydrophobicContact CG-CD1 3.9Å; I445-L449 HydrophobicContact CG2-CD1 4.19Å; I445-L449 HydrophobicContact CG2-CG 4.29Å; I445-L449 WeakPolarHBondContact O-CG 3.37Å; I445-L449 PolarHBondContact O-N 3.05Å; E446-L449 PolarHBondContact O-N 3.29Å; L449-Q451 PolarHBondContact O-N 3.21Å; L449-D452 VanDerWaalsContact O-CB 3.31Å; L449-D452 WeakPolarHBondContact O-CB 3.38Å; L449-D452 PolarHBondContact O-N 3.36Å; L449-V579 HydrophobicContact CD2-CG1 3.76Å; L449-V579 HydrophobicContact CG-CG1 4.35Å; L449-L583 HydrophobicContact CD2-CD1 4.34Å
450S97.1Very high98Very high79 Ų7950.8 Ų50.855%0.55226%0.26SS*.THydrogen-bonded Turntrans-66.3-1717379.90000114.1E446 Q447 M448 D452E446-S450 PolarHBondContact O-N 2.6Å; Q447-S450 WeakPolarHBondContact O-CB 2.89Å; Q447-S450 PolarHBondContact O-N 3.03Å; Q447-S450 PolarHBondContact O-OG 2.85Å; M448-S450 PolarHBondContact O-N 2.8Å; M448-S450 VanDerWaalsContact O-N 3.15Å; S450-D452 VanDerWaalsContact C-N 3.28Å
451Q96.5Very high97.9Very high52 Ų5253 Ų5324%0.24327%0.27CS..THydrogen-bonded Turntrans-84.51.5176.8-60.1-57.8-65.200113.3M448 L449 K453 R454 I455M448-Q451 WeakPolarHBondContact O-CB 3.43Å; M448-Q451 PolarHBondContact O-N 3.5Å; M448-Q451 HydrophobicContact SD-CB 4.49Å; L449-Q451 PolarHBondContact O-N 3.21Å; Q451-K453 VanDerWaalsContact C-N 3.26Å; Q451-K453 PolarHBondContact O-N 3.13Å; Q451-K453 VanDerWaalsContact O-N 3.12Å; Q451-R454 WeakPolarHBondContact O-CB 3.35Å; Q451-R454 PolarHBondContact O-N 2.74Å; Q451-I455 PolarHBondContact O-N 3.32Å
452D98Very high97.9Very high14 Ų1453 Ų538%0.07527%0.27CS..Hα-helixtrans-48-44.4-176.2-174.643.9000113.5Y258 L449 S450 R454 I455 E456 L583 H587Y258-D452 WeakPolarHBondContact OH-CB 3.44Å; Y258-D452 PolarHBondContact OH-OD2 2.62Å; L449-D452 VanDerWaalsContact O-CB 3.31Å; L449-D452 WeakPolarHBondContact O-CB 3.38Å; L449-D452 PolarHBondContact O-N 3.36Å; S450-D452 VanDerWaalsContact C-N 3.28Å; D452-R454 VanDerWaalsContact C-N 3.3Å; D452-R454 PolarHBondContact O-N 3.01Å; D452-I455 CarbonylContact O-C 3.5Å; D452-I455 PolarHBondContact O-N 3.13Å; D452-E456 PolarHBondContact O-N 3.37Å; D452-L583 HydrophobicContact CB-CD1 4.4Å; D452-L583 WeakPolarHBondContact OD1-CD2 3.33Å; D452-H587 IonicContact OD1-CD2 2.68Å; D452-H587 IonicContact OD1-CE1 3.74Å; D452-H587 IonicContact OD1-NE2 3.6Å; D452-H587 PolarHBondContact OD1-NE2 3.3Å; D452-H587 IonicContact OD2-NE2 3.89Å
453K97.9Very high97.8Very high143 Ų14354.9 Ų54.962%0.62228%0.284SS*.Hα-helixtrans-63.3-31.6-179.3-67.4-55.2-178-173.80114.5Q451 I455 E456 A457Q451-K453 VanDerWaalsContact C-N 3.26Å; Q451-K453 PolarHBondContact O-N 3.13Å; Q451-K453 VanDerWaalsContact O-N 3.12Å; K453-I455 VanDerWaalsContact C-N 3.35Å; K453-E456 WeakPolarHBondContact CD-OE2 3.38Å; K453-E456 IonicContact NZ-OE1 2.65Å; K453-E456 IonicContact NZ-OE2 3.91Å; K453-E456 PolarHBondContact NZ-OE2 3.32Å; K453-A457 PolarHBondContact O-N 2.93Å
454R96.8Very high97.7Very high93 Ų9356.5 Ų56.535%0.35129%0.287SS..Hα-helixtrans-72.1-35.5175.7-168172.1179168.80.2110.4Q451 D452 L458 I562 E564Q451-R454 WeakPolarHBondContact O-CB 3.35Å; Q451-R454 PolarHBondContact O-N 2.74Å; D452-R454 VanDerWaalsContact C-N 3.3Å; D452-R454 PolarHBondContact O-N 3.01Å; R454-L458 WeakPolarHBondContact O-CB 3.18Å; R454-L458 PolarHBondContact O-N 3.11Å; R454-L458 VanDerWaalsContact O-N 3.17Å; R454-I562 PolarHBondContact NH2-O 3.25Å; R454-E564 IonicContact CZ-OE2 3.75Å; R454-E564 IonicContact NH1-OE2 2.95Å; R454-E564 PolarHBondContact NH1-OE2 3.31Å; R454-E564 IonicContact NH2-OE2 3.55Å
455I98.1Very high97.7Very high0 Ų054.8 Ų54.80%028%0.281CS..Hα-helixtrans-74.4-38.4177.9-57.2176.2000111.1Q451 D452 K453 L458 A459 F547 P580 L583 L584Q451-I455 PolarHBondContact O-N 3.32Å; D452-I455 CarbonylContact O-C 3.5Å; D452-I455 PolarHBondContact O-N 3.13Å; K453-I455 VanDerWaalsContact C-N 3.35Å; I455-L458 WeakPolarHBondContact O-CB 3.49Å; I455-L458 PolarHBondContact O-N 3.26Å; I455-A459 PolarHBondContact O-N 2.76Å; I455-F547 HydrophobicContact CD1-CE1 4.33Å; I455-F547 HydrophobicContact CG1-CE1 4.29Å; I455-P580 HydrophobicContact CD1-CB 3.61Å; I455-L583 HydrophobicContact CB-CB 4.48Å; I455-L583 HydrophobicContact CD1-CB 4.02Å; I455-L583 HydrophobicContact CD1-CD1 3.82Å; I455-L583 HydrophobicContact CG2-CB 3.95Å; I455-L584 HydrophobicContact CG2-CB 3.95Å; I455-L584 HydrophobicContact CG2-CD1 4.48Å
456E98.3Very high97.6Very high73 Ų7361.2 Ų61.234%0.34131%0.311SS..Hα-helixtrans-57.3-48.9173.1-176178.1170.300111.1D452 K453 L458 A459D452-E456 PolarHBondContact O-N 3.37Å; K453-E456 WeakPolarHBondContact CD-OE2 3.38Å; K453-E456 IonicContact NZ-OE1 2.65Å; K453-E456 IonicContact NZ-OE2 3.91Å; K453-E456 PolarHBondContact NZ-OE2 3.32Å; E456-L458 VanDerWaalsContact C-N 3.33Å; E456-L458 PolarHBondContact O-N 2.87Å; E456-A459 WeakPolarHBondContact O-CB 3.38Å; E456-A459 PolarHBondContact O-N 3.31Å
457A97.7Very high97.7Very high57 Ų5759.7 Ų59.747%0.47130%0.304SS..Hα-helixtrans-62.7-39.5177.200000112.4K453 A459 E460K453-A457 PolarHBondContact O-N 2.93Å; A457-A459 VanDerWaalsContact C-N 3.27Å; A457-A459 PolarHBondContact O-N 3.02Å; A457-E460 WeakPolarHBondContact O-CB 3.39Å; A457-E460 PolarHBondContact O-N 3.2Å
458L96.9Very high97.7Very high21 Ų2155.6 Ų55.611%0.1129%0.285CS..Hα-helixtrans-65-31.1177.4-164.579.2000112.8R454 I455 E456 E460 D461 Y545 F547 H561 I563 L584R454-L458 WeakPolarHBondContact O-CB 3.18Å; R454-L458 PolarHBondContact O-N 3.11Å; R454-L458 VanDerWaalsContact O-N 3.17Å; I455-L458 WeakPolarHBondContact O-CB 3.49Å; I455-L458 PolarHBondContact O-N 3.26Å; E456-L458 VanDerWaalsContact C-N 3.33Å; E456-L458 PolarHBondContact O-N 2.87Å; L458-E460 PolarHBondContact O-N 2.94Å; L458-D461 PolarHBondContact O-N 3.32Å; L458-Y545 HydrophobicContact CD1-CD1 3.65Å; L458-Y545 HydrophobicContact CD1-CE1 3.88Å; L458-Y545 HydrophobicContact CD2-CD1 3.84Å; L458-Y545 HydrophobicContact CG-CD1 3.71Å; L458-Y545 HydrophobicContact CG-CE1 4.02Å; L458-F547 HydrophobicContact CD2-CZ 4.1Å; L458-H561 HydrophobicContact CD1-CB 4.16Å; L458-I563 HydrophobicContact CD1-CD1 4.19Å; L458-I563 HydrophobicContact CD2-CD1 3.5Å; L458-I563 HydrophobicContact CD2-CG1 3.89Å; L458-I563 HydrophobicContact CG-CD1 4.47Å; L458-L584 HydrophobicContact CD2-CD1 4.48Å
459A98.2Very high97.7Very high0 Ų055.8 Ų55.80%029%0.286CS..Hα-helixtrans-65.3-22-17800000112.6I455 E456 A457 D461 F462 L584 H587 V588 I591I455-A459 PolarHBondContact O-N 2.76Å; E456-A459 WeakPolarHBondContact O-CB 3.38Å; E456-A459 PolarHBondContact O-N 3.31Å; A457-A459 VanDerWaalsContact C-N 3.27Å; A457-A459 PolarHBondContact O-N 3.02Å; A459-D461 PolarHBondContact O-N 2.93Å; A459-F462 PolarHBondContact O-N 2.91Å; A459-F462 VanDerWaalsContact O-N 3.1Å; A459-L584 HydrophobicContact CB-CD1 4.28Å; A459-H587 HydrophobicContact CB-CB 3.48Å; A459-H587 VanDerWaalsContact CB-CB 3.48Å; A459-V588 HydrophobicContact CB-CG2 3.75Å; A459-I591 HydrophobicContact CB-CD1 3.66Å; A459-I591 VanDerWaalsContact O-CD1 3.26Å; A459-I591 WeakPolarHBondContact O-CD1 3.3Å
460E97.9Very high97.7Very high129 Ų12955.2 Ų55.260%0.60328%0.283SS*.G310 helixtrans-58.3-33176.2-64.9-172.9-17200112.5A457 L458 F462 S463 I591A457-E460 WeakPolarHBondContact O-CB 3.39Å; A457-E460 PolarHBondContact O-N 3.2Å; L458-E460 PolarHBondContact O-N 2.94Å; E460-F462 PolarHBondContact O-N 3.44Å; E460-F462 VanDerWaalsContact O-N 3.12Å; E460-S463 VanDerWaalsContact O-CB 3.25Å; E460-S463 WeakPolarHBondContact O-CB 3.32Å; E460-S463 PolarHBondContact O-N 3.47Å; E460-S463 VanDerWaalsContact O-N 3.09Å; E460-S463 PolarHBondContact O-OG 3.32Å; E460-I591 HydrophobicContact CG-CD1 4.32Å
461D97.7Very high97.8Very high63 Ų6351.5 Ų51.534%0.33726%0.257SS..G310 helixtrans-67.4-13.6179.9-62.4-21000113.2L458 A459 K465 Y545L458-D461 PolarHBondContact O-N 3.32Å; A459-D461 PolarHBondContact O-N 2.93Å; D461-K465 WeakPolarHBondContact O-CG 3.14Å; D461-K465 PolarHBondContact O-NZ 2.98Å; D461-Y545 HydrophobicContact CB-CE1 4.03Å; D461-Y545 WeakPolarHBondContact CB-OH 3.46Å
462F98.3Very high97.8Very high0 Ų049 Ų490%025%0.245CC..G310 helixtrans-98.30.5178.3-66.2-95.1000113.4A459 E460 D464 K465 A468 I493 P516 I518 Y545 L584 V588 K592A459-F462 PolarHBondContact O-N 2.91Å; A459-F462 VanDerWaalsContact O-N 3.1Å; E460-F462 PolarHBondContact O-N 3.44Å; E460-F462 VanDerWaalsContact O-N 3.12Å; F462-D464 VanDerWaalsContact C-N 3.31Å; F462-D464 PolarHBondContact O-N 2.91Å; F462-K465 HydrophobicContact CD1-CB 4.44Å; F462-K465 HydrophobicContact CD1-CG 4.47Å; F462-K465 PolarHBondContact O-N 2.89Å; F462-A468 HydrophobicContact CE1-CB 4.45Å; F462-I493 HydrophobicContact CB-CD1 4.19Å; F462-I493 HydrophobicContact CD1-CD1 4.43Å; F462-P516 HydrophobicContact CD1-CB 4.42Å; F462-P516 HydrophobicContact CD1-CG 4.14Å; F462-P516 HydrophobicContact CE1-CB 3.62Å; F462-P516 HydrophobicContact CE1-CG 3.67Å; F462-P516 HydrophobicContact CZ-CB 4.01Å; F462-I518 HydrophobicContact CE1-CD1 3.73Å; F462-I518 HydrophobicContact CE1-CG1 4.48Å; F462-I518 HydrophobicContact CZ-CD1 3.79Å; F462-I518 HydrophobicContact CZ-CG1 4.08Å; F462-Y545 AromaticContact CE2-CD1 3.98Å; F462-Y545 HydrophobicContact CE2-CD1 3.98Å; F462-Y545 HydrophobicContact CE2-CD2 4.46Å; F462-Y545 AromaticContact CE2-CE1 3.82Å; F462-Y545 HydrophobicContact CE2-CE1 3.82Å; F462-Y545 HydrophobicContact CE2-CE2 4.33Å; F462-Y545 HydrophobicContact CE2-CG 4.31Å; F462-Y545 HydrophobicContact CZ-CD1 4.22Å; F462-Y545 AromaticContact CZ-CD2 3.93Å; F462-Y545 HydrophobicContact CZ-CD2 3.93Å; F462-Y545 HydrophobicContact CZ-CE1 4.24Å; F462-Y545 AromaticContact CZ-CE2 3.97Å; F462-Y545 HydrophobicContact CZ-CE2 3.97Å; F462-Y545 HydrophobicContact CZ-CG 4.08Å; F462-L584 HydrophobicContact CD2-CD1 4.3Å; F462-L584 HydrophobicContact CE2-CD1 4.13Å; F462-V588 HydrophobicContact CB-CB 4.49Å; F462-V588 HydrophobicContact CB-CG1 3.85Å; F462-V588 HydrophobicContact CB-CG2 3.72Å; F462-V588 HydrophobicContact CD2-CG2 4.21Å; F462-V588 HydrophobicContact CG-CG2 4.02Å; F462-K592 VanDerWaalsContact O-CE 3.32Å; F462-K592 WeakPolarHBondContact O-CE 3.38Å; F462-K592 PolarHBondContact O-NZ 3.26Å
463S96.5Very high97.8Very high63 Ų6351.4 Ų51.444%0.44125%0.253SS..THydrogen-bonded Turntrans-57.3-40.7-176.758.40000113.3E460 K592E460-S463 VanDerWaalsContact O-CB 3.25Å; E460-S463 WeakPolarHBondContact O-CB 3.32Å; E460-S463 PolarHBondContact O-N 3.47Å; E460-S463 VanDerWaalsContact O-N 3.09Å; E460-S463 PolarHBondContact O-OG 3.32Å; S463-K592 WeakPolarHBondContact O-CE 3.43Å; S463-K592 PolarHBondContact O-NZ 3.07Å
464D96.5Very high97.8Very high98 Ų9845.4 Ų45.452%0.52423%0.232SC..THydrogen-bonded Turntrans-99-2.8179.367.9-23.4000113.5F462F462-D464 VanDerWaalsContact C-N 3.31Å; F462-D464 PolarHBondContact O-N 2.91Å
465K97.9Very high97.8Very high32 Ų3242.1 Ų42.114%0.13922%0.221CC..  trans-79.9142.7-175.7-58.9-63.8178.7-80.30112.2D461 F462 I493 D514 P516 K592D461-K465 WeakPolarHBondContact O-CG 3.14Å; D461-K465 PolarHBondContact O-NZ 2.98Å; F462-K465 HydrophobicContact CD1-CB 4.44Å; F462-K465 HydrophobicContact CD1-CG 4.47Å; F462-K465 PolarHBondContact O-N 2.89Å; K465-I493 HydrophobicContact CB-CD1 4.45Å; K465-D514 WeakPolarHBondContact CD-O 3.34Å; K465-D514 WeakPolarHBondContact CE-O 3.28Å; K465-P516 HydrophobicContact CB-CG 4.47Å; K465-P516 HydrophobicContact CD-CG 4.33Å; K465-P516 HydrophobicContact CG-CG 4.22Å; K465-K592 PolarHBondContact O-NZ 2.96Å
466H98Very high97.8Very high134 Ų13442.2 Ų42.262%0.6222%0.221SC*.SBendtrans-116-13.8175.8-65.5-67.3000113.2H494H466-H494 WeakPolarHBondContact O-CB 3.38Å; H466-H494 PolarHBondContact O-N 3.25Å
467H98.4Very high97.9Very high100 Ų10041.4 Ų41.446%0.46322%0.216SC..EExtended strand (participates in β ladder)trans-131.7153.9-179.5-56.6-74000109.9H494 M515 P516H467-H494 WeakPolarHBondContact CA-O 3.04Å; H467-M515 HydrophobicContact CB-CE 3.57Å; H467-M515 HydrophobicContact CB-SD 3.77Å; H467-P516 WeakPolarHBondContact O-CD 2.92Å; H467-P516 WeakPolarHBondContact O-CG 3.48Å
468A98.5Very high97.9Very high1 Ų138.7 Ų38.71%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-154.8141.4169.500000110.4F462 F470 L487 I493 H494 A495 E496 P516 I518F462-A468 HydrophobicContact CE1-CB 4.45Å; A468-F470 HydrophobicContact CB-CE2 4.13Å; A468-L487 HydrophobicContact CB-CD2 3.9Å; A468-I493 HydrophobicContact CB-CG2 4.07Å; A468-H494 PolarHBondContact N-O 3.39Å; A468-H494 VanDerWaalsContact N-O 3.1Å; A468-A495 HydrophobicContact CB-CB 4.29Å; A468-A495 CarbonylContact O-C 3.38Å; A468-A495 VanDerWaalsContact O-CA 3.27Å; A468-A495 WeakPolarHBondContact O-CA 3.25Å; A468-E496 PolarHBondContact O-N 3.1Å; A468-P516 WeakPolarHBondContact CA-O 3.14Å; A468-P516 HydrophobicContact CB-CG 4.02Å; A468-I518 HydrophobicContact CB-CD1 3.94Å
469L98.5Very high98Very high4 Ų437.7 Ų37.72%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-107.9140.9170.8-65.5-178.5000111E496 Y498 L503 I511 M515 P516 V517 I518L469-E496 CarbonylContact C-O 3.57Å; L469-E496 VanDerWaalsContact CA-O 3.29Å; L469-E496 WeakPolarHBondContact CA-O 3.21Å; L469-E496 HydrophobicContact CD2-CB 4.06Å; L469-Y498 HydrophobicContact CD2-CD2 4.09Å; L469-Y498 HydrophobicContact CD2-CE2 3.8Å; L469-L503 HydrophobicContact CD1-CD1 4.16Å; L469-I511 HydrophobicContact CD1-CD1 3.53Å; L469-M515 HydrophobicContact CD1-CG 4.3Å; L469-M515 HydrophobicContact CD1-SD 4.47Å; L469-M515 HydrophobicContact CG-CG 4.32Å; L469-M515 HydrophobicContact CG-SD 3.96Å; L469-P516 PolarHBondContact N-O 2.9Å; L469-V517 HydrophobicContact CB-CG1 4.4Å; L469-V517 HydrophobicContact CB-CG2 4.28Å; L469-V517 CarbonylContact O-C 3.51Å; L469-V517 WeakPolarHBondContact O-CA 3.45Å; L469-I518 PolarHBondContact O-N 3.23Å
470F98.7Very high98Very high3 Ų337.8 Ų37.81%0.01319%0.189CC..EExtended strand (participates in β ladder)trans-116.6129.4176.2-76.9-111.4000109.9A468 A480 G483 A484 L487 A495 E496 A497 Y498 I518 L581A468-F470 HydrophobicContact CB-CE2 4.13Å; F470-A480 HydrophobicContact CB-CB 4.03Å; F470-A480 WeakPolarHBondContact CB-O 3.49Å; F470-G483 VanDerWaalsContact CE1-C 3.47Å; F470-A484 HydrophobicContact CB-CB 4.12Å; F470-A484 HydrophobicContact CD2-CB 3.7Å; F470-A484 HydrophobicContact CE2-CB 4.29Å; F470-A484 HydrophobicContact CG-CB 3.91Å; F470-L487 HydrophobicContact CE2-CB 4.32Å; F470-L487 HydrophobicContact CE2-CD2 3.72Å; F470-L487 HydrophobicContact CZ-CB 4.12Å; F470-L487 HydrophobicContact CZ-CD2 3.84Å; F470-A495 HydrophobicContact CD2-CB 4.37Å; F470-A495 HydrophobicContact CE2-CB 3.99Å; F470-E496 PolarHBondContact N-O 2.99Å; F470-A497 HydrophobicContact CB-CB 3.88Å; F470-A497 CarbonylContact O-C 3.53Å; F470-A497 VanDerWaalsContact O-CA 3.24Å; F470-A497 WeakPolarHBondContact O-CA 3.49Å; F470-Y498 PolarHBondContact O-N 2.96Å; F470-I518 CarbonylContact C-O 3.49Å; F470-I518 VanDerWaalsContact CA-O 3.3Å; F470-I518 WeakPolarHBondContact CA-O 3.28Å; F470-I518 HydrophobicContact CD1-CB 3.82Å; F470-I518 HydrophobicContact CD1-CG2 3.84Å; F470-I518 HydrophobicContact CD2-CB 4.39Å; F470-I518 HydrophobicContact CD2-CD1 4.16Å; F470-I518 HydrophobicContact CE1-CB 3.81Å; F470-I518 HydrophobicContact CE1-CG1 4.07Å; F470-I518 HydrophobicContact CE1-CG2 3.71Å; F470-I518 HydrophobicContact CE2-CB 4.36Å; F470-I518 HydrophobicContact CE2-CD1 3.69Å; F470-I518 HydrophobicContact CE2-CG1 4.16Å; F470-I518 HydrophobicContact CG-CB 4.12Å; F470-I518 HydrophobicContact CZ-CB 4.09Å; F470-I518 HydrophobicContact CZ-CD1 3.89Å; F470-I518 HydrophobicContact CZ-CG1 3.87Å; F470-I518 HydrophobicContact CZ-CG2 4.37Å; F470-L581 HydrophobicContact CD1-CD1 4.42Å; F470-L581 HydrophobicContact CE1-CD1 4.43Å; F470-L581 HydrophobicContact CE1-CD2 4.22Å
471L98.4Very high98.1Very high1 Ų133.3 Ų33.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-121.9136.2-178.7-54179.9000111.4A500 L503 V517 I518 V519 V520 V537L471-A500 HydrophobicContact CB-CB 4.14Å; L471-L503 HydrophobicContact CD1-CD2 4.11Å; L471-L503 HydrophobicContact CD2-CD1 4.21Å; L471-L503 HydrophobicContact CD2-CD2 4.47Å; L471-V517 HydrophobicContact CD1-CG1 3.52Å; L471-V517 HydrophobicContact CG-CG1 3.8Å; L471-I518 PolarHBondContact N-O 2.77Å; L471-V519 HydrophobicContact CB-CG1 4.36Å; L471-V519 HydrophobicContact CB-CG2 4.17Å; L471-V519 HydrophobicContact CD1-CG2 4.28Å; L471-V520 PolarHBondContact O-N 2.79Å; L471-V537 HydrophobicContact CD1-CG2 4.13Å
472G97.7Very high98.2Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-149164.8172.400000111.2Y498 A500G472-Y498 PolarHBondContact N-O 2.74Å; G472-A500 PolarHBondContact O-N 2.81Å
473R96.7Very high98.2Very high64 Ų6430.5 Ų30.524%0.24215%0.154CC..  trans-136.9147.3176.4-153.3-174.6-142.6127.24.2111Q476 L526 K529 N533R473-Q476 WeakPolarHBondContact O-CB 3.42Å; R473-Q476 PolarHBondContact O-N 2.95Å; R473-L526 HydrophobicContact CB-CD1 4.23Å; R473-L526 HydrophobicContact CG-CD1 4.04Å; R473-K529 PolarHBondContact NH1-O 3.19Å; R473-N533 PolarHBondContact NH1-ND2 3.38Å
474G97.3Very high98.3Very high17 Ų1727.7 Ų27.718%0.17514%0.135CC..G310 helixtrans64.3-137.9-176.700000110.6Y313 Q476 Y477Y313-G474 VanDerWaalsContact CE1-C 3.47Å; Y313-G474 VanDerWaalsContact CZ-O 3.26Å; Y313-G474 PolarHBondContact OH-O 2.85Å; G474-Q476 PolarHBondContact O-N 2.95Å; G474-Q476 VanDerWaalsContact O-N 3.13Å; G474-Y477 WeakPolarHBondContact O-CB 3.47Å; G474-Y477 PolarHBondContact O-N 3.29Å
475D98.2Very high98.4Very high24 Ų2424.8 Ų24.813%0.12812%0.119CC..G310 helixtrans-64.6-10.3176.264.2-4.2000114.1Y313 P478 P574Y313-D475 HydrophobicContact CD2-CB 4.36Å; Y313-D475 HydrophobicContact CG-CB 4.04Å; D475-P478 WeakPolarHBondContact O-CD 3.41Å; D475-P574 HydrophobicContact CB-CG 3.88Å; D475-P574 VanDerWaalsContact CG-CG 3.42Å; D475-P574 WeakPolarHBondContact OD2-CG 3.49Å
476Q98.7Very high98.4Very high2 Ų223.3 Ų23.31%0.00911%0.113CC..G310 helixtrans-84.8-15.1171.4-58.2-60.7-32.400113.9R473 G474 I479 A480 V520 P522R473-Q476 WeakPolarHBondContact O-CB 3.42Å; R473-Q476 PolarHBondContact O-N 2.95Å; G474-Q476 PolarHBondContact O-N 2.95Å; G474-Q476 VanDerWaalsContact O-N 3.13Å; Q476-I479 WeakPolarHBondContact O-CB 3.33Å; Q476-I479 PolarHBondContact O-N 2.77Å; Q476-I479 VanDerWaalsContact O-N 3.13Å; Q476-A480 PolarHBondContact O-N 3.16Å; Q476-V520 HydrophobicContact CB-CG2 3.83Å; Q476-P522 HydrophobicContact CG-CG 3.75Å
477Y98.7Very high98.5Very high57 Ų5717 Ų1722%0.2248%0.083CC..Hα-helixtrans-60.6-46.1176162.8-120.5000112G474 I479 A480 L481 A499G474-Y477 WeakPolarHBondContact O-CB 3.47Å; G474-Y477 PolarHBondContact O-N 3.29Å; Y477-I479 PolarHBondContact O-N 2.94Å; Y477-A480 WeakPolarHBondContact O-CB 3.14Å; Y477-A480 PolarHBondContact O-N 3.33Å; Y477-A480 VanDerWaalsContact O-N 3.1Å; Y477-L481 HydrophobicContact CD1-CD1 4.49Å; Y477-L481 HydrophobicContact CD2-CG 4.44Å; Y477-L481 HydrophobicContact CE1-CD1 3.88Å; Y477-L481 HydrophobicContact CE2-CD1 4.09Å; Y477-L481 HydrophobicContact CE2-CD2 4.13Å; Y477-L481 HydrophobicContact CE2-CG 3.87Å; Y477-L481 PolarHBondContact O-N 3.24Å; Y477-A499 VanDerWaalsContact CD2-CA 3.47Å; Y477-A499 HydrophobicContact CD2-CB 3.82Å; Y477-A499 VanDerWaalsContact CD2-N 3.27Å; Y477-A499 HydrophobicContact CE2-CB 4.06Å; Y477-A499 HydrophobicContact CG-CB 4.05Å
478P98.8Very high98.5Very high0 Ų016.4 Ų16.40%08%0.08CC..Hα-helixtrans-65.2-22.6173.6-22.234.8000114.4M309 V310 Y313 D475 L481 E482M309-P478 HydrophobicContact CB-CB 3.77Å; M309-P478 HydrophobicContact CB-CG 3.72Å; V310-P478 HydrophobicContact CG2-CB 3.63Å; V310-P478 HydrophobicContact CG2-CG 4.26Å; Y313-P478 HydrophobicContact CE2-CG 4.07Å; D475-P478 WeakPolarHBondContact O-CD 3.41Å; P478-L481 WeakPolarHBondContact O-CB 3.46Å; P478-L481 PolarHBondContact O-N 3.36Å; P478-E482 PolarHBondContact O-N 2.73Å
479I98.9Very high98.4Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-71.8-37.5172.3-53.8-48.7000110.8V310 F406 Q476 Y477 E482 G483 V520 P574 L581V310-I479 HydrophobicContact CG2-CD1 3.59Å; V310-I479 HydrophobicContact CG2-CG1 4.46Å; F406-I479 HydrophobicContact CE1-CD1 4.18Å; F406-I479 HydrophobicContact CZ-CD1 4.03Å; Q476-I479 WeakPolarHBondContact O-CB 3.33Å; Q476-I479 PolarHBondContact O-N 2.77Å; Q476-I479 VanDerWaalsContact O-N 3.13Å; Y477-I479 PolarHBondContact O-N 2.94Å; I479-E482 PolarHBondContact O-N 3.02Å; I479-G483 PolarHBondContact O-N 3.21Å; I479-V520 HydrophobicContact CG2-CG1 4.41Å; I479-P574 HydrophobicContact CD1-CB 3.83Å; I479-P574 VanDerWaalsContact CD1-O 3.26Å; I479-P574 WeakPolarHBondContact CD1-O 3.37Å; I479-P574 HydrophobicContact CG1-CB 3.79Å; I479-L581 HydrophobicContact CG2-CD1 3.97Å
480A98.8Very high98.4Very high1 Ų118.1 Ų18.11%0.0089%0.087CC..Hα-helixtrans-62.3-42.6169.900000111.6F470 Q476 Y477 E482 G483 A484 A497F470-A480 HydrophobicContact CB-CB 4.03Å; F470-A480 WeakPolarHBondContact CB-O 3.49Å; Q476-A480 PolarHBondContact O-N 3.16Å; Y477-A480 WeakPolarHBondContact O-CB 3.14Å; Y477-A480 PolarHBondContact O-N 3.33Å; Y477-A480 VanDerWaalsContact O-N 3.1Å; A480-E482 VanDerWaalsContact C-N 3.34Å; A480-E482 PolarHBondContact O-N 3.27Å; A480-G483 PolarHBondContact O-N 3.18Å; A480-A484 PolarHBondContact O-N 2.99Å; A480-A497 VanDerWaalsContact C-CB 3.42Å; A480-A497 HydrophobicContact CB-CB 4.19Å; A480-A497 VanDerWaalsContact O-CB 3.28Å; A480-A497 WeakPolarHBondContact O-CB 3.38Å
481L98.9Very high98.4Very high36 Ų3618.2 Ų18.219%0.1889%0.088CC..Hα-helixtrans-57-46.6173-71.5170.4000111.6Y477 P478 L485 A497Y477-L481 HydrophobicContact CD1-CD1 4.49Å; Y477-L481 HydrophobicContact CD2-CG 4.44Å; Y477-L481 HydrophobicContact CE1-CD1 3.88Å; Y477-L481 HydrophobicContact CE2-CD1 4.09Å; Y477-L481 HydrophobicContact CE2-CD2 4.13Å; Y477-L481 HydrophobicContact CE2-CG 3.87Å; Y477-L481 PolarHBondContact O-N 3.24Å; P478-L481 WeakPolarHBondContact O-CB 3.46Å; P478-L481 PolarHBondContact O-N 3.36Å; L481-L485 WeakPolarHBondContact O-CB 3.28Å; L481-L485 PolarHBondContact O-N 2.84Å; L481-A497 HydrophobicContact CB-CB 4.48Å; L481-A497 HydrophobicContact CD2-CB 3.92Å; L481-A497 HydrophobicContact CG-CB 4.29Å
482E98.9Very high98.3Very high1 Ų121.6 Ų21.61%0.00510%0.101CC..Hα-helixtrans-64.8-44.1178.8-177.158.1-159.800112.2T303 N306 F406 P478 I479 A480 A484 L485 K486 T578T303-E482 WeakPolarHBondContact CA-OE2 3.45Å; T303-E482 WeakPolarHBondContact CB-OE2 3.33Å; T303-E482 WeakPolarHBondContact CG2-OE1 3.27Å; T303-E482 WeakPolarHBondContact CG2-OE2 3.25Å; T303-E482 PolarHBondContact OG1-OE1 2.96Å; T303-E482 PolarHBondContact OG1-OE2 3.03Å; N306-E482 HydrophobicContact CB-CB 4.32Å; N306-E482 PolarHBondContact ND2-OE2 2.84Å; F406-E482 HydrophobicContact CD1-CG 4.43Å; F406-E482 HydrophobicContact CD2-CG 4.37Å; F406-E482 HydrophobicContact CE1-CG 4.17Å; F406-E482 HydrophobicContact CE2-CB 4.35Å; F406-E482 HydrophobicContact CE2-CG 4.06Å; F406-E482 HydrophobicContact CZ-CB 4.11Å; F406-E482 HydrophobicContact CZ-CG 3.96Å; P478-E482 PolarHBondContact O-N 2.73Å; I479-E482 PolarHBondContact O-N 3.02Å; A480-E482 VanDerWaalsContact C-N 3.34Å; A480-E482 PolarHBondContact O-N 3.27Å; E482-A484 PolarHBondContact O-N 3.26Å; E482-L485 PolarHBondContact O-N 3.47Å; E482-K486 WeakPolarHBondContact O-CG 3.5Å; E482-K486 PolarHBondContact O-N 3.06Å; E482-K486 WeakPolarHBondContact OE1-CD 3.37Å; E482-K486 WeakPolarHBondContact OE1-CE 3.45Å; E482-K486 IonicContact OE1-NZ 3.04Å; E482-T578 HydrophobicContact CG-CG2 4.36Å
483G98.8Very high98.4Very high2 Ų221.7 Ų21.72%0.02110%0.102CC..Hα-helixtrans-59.5-45.917700000112.9F470 I479 A480 L485 K486 L487F470-G483 VanDerWaalsContact CE1-C 3.47Å; I479-G483 PolarHBondContact O-N 3.21Å; A480-G483 PolarHBondContact O-N 3.18Å; G483-L485 VanDerWaalsContact C-N 3.35Å; G483-K486 PolarHBondContact O-N 3.33Å; G483-L487 PolarHBondContact O-N 2.89Å
484A98.8Very high98.5Very high4 Ų423.7 Ų23.73%0.03311%0.114CC..Hα-helixtrans-64-40.3175.400000111.9F470 A480 E482 L487 K488 A495 A497F470-A484 HydrophobicContact CB-CB 4.12Å; F470-A484 HydrophobicContact CD2-CB 3.7Å; F470-A484 HydrophobicContact CE2-CB 4.29Å; F470-A484 HydrophobicContact CG-CB 3.91Å; A480-A484 PolarHBondContact O-N 2.99Å; E482-A484 PolarHBondContact O-N 3.26Å; A484-L487 PolarHBondContact O-N 3.04Å; A484-K488 VanDerWaalsContact O-CB 3.28Å; A484-K488 WeakPolarHBondContact O-CB 3.33Å; A484-K488 PolarHBondContact O-N 2.98Å; A484-A495 HydrophobicContact CB-CB 4.11Å; A484-A495 WeakPolarHBondContact O-CB 3.49Å; A484-A497 HydrophobicContact CB-CB 3.81Å
485L98.7Very high98.5Very high38 Ų3822.9 Ų22.920%0.19911%0.105CC..Hα-helixtrans-61-49.2176.2179.860.3000110.9T303 L481 E482 G483 L487 K488 E489T303-L485 WeakPolarHBondContact OG1-CD2 3.45Å; L481-L485 WeakPolarHBondContact O-CB 3.28Å; L481-L485 PolarHBondContact O-N 2.84Å; E482-L485 PolarHBondContact O-N 3.47Å; G483-L485 VanDerWaalsContact C-N 3.35Å; L485-L487 PolarHBondContact O-N 2.93Å; L485-K488 PolarHBondContact O-N 2.97Å; L485-E489 HydrophobicContact CD1-CG 3.94Å; L485-E489 HydrophobicContact CG-CG 4.32Å; L485-E489 WeakPolarHBondContact O-CB 3.28Å; L485-E489 VanDerWaalsContact O-CG 3.31Å; L485-E489 WeakPolarHBondContact O-CG 3.32Å; L485-E489 PolarHBondContact O-N 3.1Å
486K98.7Very high98.5Very high1 Ų125 Ų250%0.00412%0.115CC..Hα-helixtrans-57.1-52.3176.4-66.8-52.285.7171.40111.4T303 A401 S402 E482 G483 K488 E489 I490 A585T303-K486 PolarHBondContact OG1-NZ 3.02Å; A401-K486 HydrophobicContact CB-CD 4.21Å; S402-K486 PolarHBondContact O-NZ 2.88Å; E482-K486 WeakPolarHBondContact O-CG 3.5Å; E482-K486 PolarHBondContact O-N 3.06Å; E482-K486 WeakPolarHBondContact OE1-CD 3.37Å; E482-K486 WeakPolarHBondContact OE1-CE 3.45Å; E482-K486 IonicContact OE1-NZ 3.04Å; G483-K486 PolarHBondContact O-N 3.33Å; K486-K488 VanDerWaalsContact C-N 3.3Å; K486-K488 PolarHBondContact O-N 3.08Å; K486-E489 WeakPolarHBondContact CE-OE2 3.37Å; K486-E489 IonicContact NZ-OE2 2.98Å; K486-E489 PolarHBondContact NZ-OE2 2.71Å; K486-E489 PolarHBondContact O-N 3.5Å; K486-I490 WeakPolarHBondContact O-CG1 3.47Å; K486-I490 PolarHBondContact O-N 2.91Å; K486-A585 HydrophobicContact CB-CB 3.69Å
487L98.6Very high98.5Very high1 Ų125.5 Ų25.51%0.00512%0.119CC..Hα-helixtrans-59.7-43.3-177.3-169.965.4000111.2A468 F470 G483 A484 L485 S491 I493 A495 A585 V588A468-L487 HydrophobicContact CB-CD2 3.9Å; F470-L487 HydrophobicContact CE2-CB 4.32Å; F470-L487 HydrophobicContact CE2-CD2 3.72Å; F470-L487 HydrophobicContact CZ-CB 4.12Å; F470-L487 HydrophobicContact CZ-CD2 3.84Å; G483-L487 PolarHBondContact O-N 2.89Å; A484-L487 PolarHBondContact O-N 3.04Å; L485-L487 PolarHBondContact O-N 2.93Å; L487-S491 WeakPolarHBondContact O-CB 3.43Å; L487-S491 PolarHBondContact O-N 3.27Å; L487-S491 PolarHBondContact O-OG 3.19Å; L487-I493 HydrophobicContact CD2-CG2 4.28Å; L487-I493 HydrophobicContact CG-CB 4.39Å; L487-A495 HydrophobicContact CB-CB 3.98Å; L487-A495 HydrophobicContact CD2-CB 4.02Å; L487-A495 HydrophobicContact CG-CB 4.26Å; L487-A585 HydrophobicContact CB-CB 4.4Å; L487-A585 HydrophobicContact CD1-CB 4.31Å; L487-V588 HydrophobicContact CD1-CB 3.83Å; L487-V588 HydrophobicContact CD1-CG1 3.94Å; L487-V588 HydrophobicContact CD1-CG2 4.11Å
488K98.4Very high98.5Very high88 Ų8825 Ų2538%0.38312%0.117SC..Hα-helixtrans-64.1-45.5177.6-175-175.6-67.1156.60113A484 L485 K486 I490 Y492 I493 A495A484-K488 VanDerWaalsContact O-CB 3.28Å; A484-K488 WeakPolarHBondContact O-CB 3.33Å; A484-K488 PolarHBondContact O-N 2.98Å; L485-K488 PolarHBondContact O-N 2.97Å; K486-K488 VanDerWaalsContact C-N 3.3Å; K486-K488 PolarHBondContact O-N 3.08Å; K488-I490 PolarHBondContact O-N 2.64Å; K488-Y492 WeakPolarHBondContact O-CA 3.29Å; K488-Y492 PolarHBondContact O-N 2.91Å; K488-I493 WeakPolarHBondContact CA-O 3.46Å; K488-A495 HydrophobicContact CB-CB 4.33Å; K488-A495 WeakPolarHBondContact CE-O 3.39Å; K488-A495 PolarHBondContact NZ-O 3.5Å
489E97.1Very high98.5Very high41 Ų4126.5 Ų26.519%0.19213%0.129CC..Hα-helixtrans-60.2-45.1-175.8-81.9-177.7154.300112.7L485 K486 Y492 P599 L602L485-E489 HydrophobicContact CD1-CG 3.94Å; L485-E489 HydrophobicContact CG-CG 4.32Å; L485-E489 WeakPolarHBondContact O-CB 3.28Å; L485-E489 VanDerWaalsContact O-CG 3.31Å; L485-E489 WeakPolarHBondContact O-CG 3.32Å; L485-E489 PolarHBondContact O-N 3.1Å; K486-E489 WeakPolarHBondContact CE-OE2 3.37Å; K486-E489 IonicContact NZ-OE2 2.98Å; K486-E489 PolarHBondContact NZ-OE2 2.71Å; K486-E489 PolarHBondContact O-N 3.5Å; E489-Y492 VanDerWaalsContact O-CE1 3.27Å; E489-Y492 WeakPolarHBondContact O-CE1 3.5Å; E489-P599 WeakPolarHBondContact O-CB 3.48Å; E489-L602 HydrophobicContact CB-CD1 4.1Å; E489-L602 HydrophobicContact CG-CD1 3.9Å
490I98.2Very high98.4Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-107.9-23.3-168.764.8172.4000114.4M253 A401 K486 K488 A585 A589 T594 V596 P599M253-I490 HydrophobicContact CE-CD1 3.63Å; M253-I490 HydrophobicContact SD-CD1 3.55Å; M253-I490 VanDerWaalsContact SD-CD1 3.55Å; M253-I490 HydrophobicContact SD-CG2 4.38Å; A401-I490 HydrophobicContact CB-CG2 3.79Å; K486-I490 WeakPolarHBondContact O-CG1 3.47Å; K486-I490 PolarHBondContact O-N 2.91Å; K488-I490 PolarHBondContact O-N 2.64Å; I490-A585 VanDerWaalsContact CD1-C 3.48Å; I490-A585 HydrophobicContact CD1-CB 3.94Å; I490-A585 WeakPolarHBondContact CD1-O 3.28Å; I490-A585 HydrophobicContact CG1-CB 4.27Å; I490-A589 HydrophobicContact CB-CB 4.14Å; I490-A589 HydrophobicContact CD1-CB 3.94Å; I490-A589 HydrophobicContact CG1-CB 3.87Å; I490-A589 WeakPolarHBondContact O-CB 3.36Å; I490-T594 WeakPolarHBondContact O-CB 3.47Å; I490-T594 PolarHBondContact O-OG1 3.18Å; I490-V596 HydrophobicContact CD1-CG1 4.49Å; I490-P599 HydrophobicContact CG2-CG 4.43Å
491S98.2Very high98.2Very high4 Ų427.3 Ų27.33%0.02814%0.138CC..Hα-helixtrans-101.5-15.1177.679.90000113.9L487 I493L487-S491 WeakPolarHBondContact O-CB 3.43Å; L487-S491 PolarHBondContact O-N 3.27Å; L487-S491 PolarHBondContact O-OG 3.19Å; S491-I493 PolarHBondContact O-N 2.81Å; S491-I493 WeakPolarHBondContact OG-CB 3.08Å; S491-I493 WeakPolarHBondContact OG-CG1 3.1Å; S491-I493 PolarHBondContact OG-N 2.8Å
492Y98Very high98Very high72 Ų7230.8 Ų30.828%0.28215%0.153SC..  trans62.111.9-173.7-42-37.9000115.1K488 E489 T594 P599 R600K488-Y492 WeakPolarHBondContact O-CA 3.29Å; K488-Y492 PolarHBondContact O-N 2.91Å; E489-Y492 VanDerWaalsContact O-CE1 3.27Å; E489-Y492 WeakPolarHBondContact O-CE1 3.5Å; Y492-T594 HydrophobicContact CD2-CG2 3.59Å; Y492-T594 HydrophobicContact CE2-CG2 3.38Å; Y492-P599 HydrophobicContact CE1-CB 4.14Å; Y492-P599 WeakPolarHBondContact OH-CA 3.44Å; Y492-R600 HydrophobicContact CE1-CG 3.9Å; Y492-R600 HydrophobicContact CE2-CG 4.09Å; Y492-R600 PolarHBondContact OH-N 3.42Å; Y492-R600 VanDerWaalsContact OH-N 3.07Å
493I98.5Very high97.7Very high3 Ų330.8 Ų30.82%0.01515%0.153CC..  trans-64136.9164.7-67.3-178.4000108.4F462 K465 A468 L487 K488 S491 A495 V588F462-I493 HydrophobicContact CB-CD1 4.19Å; F462-I493 HydrophobicContact CD1-CD1 4.43Å; K465-I493 HydrophobicContact CB-CD1 4.45Å; A468-I493 HydrophobicContact CB-CG2 4.07Å; L487-I493 HydrophobicContact CD2-CG2 4.28Å; L487-I493 HydrophobicContact CG-CB 4.39Å; K488-I493 WeakPolarHBondContact CA-O 3.46Å; S491-I493 PolarHBondContact O-N 2.81Å; S491-I493 WeakPolarHBondContact OG-CB 3.08Å; S491-I493 WeakPolarHBondContact OG-CG1 3.1Å; S491-I493 PolarHBondContact OG-N 2.8Å; I493-A495 PolarHBondContact O-N 3.43Å; I493-V588 HydrophobicContact CD1-CG1 3.66Å
494H98.7Very high97.3Very high105 Ų10536.2 Ų36.249%0.48618%0.176SC..EExtended strand (participates in β ladder)trans-7383172.8-170.6172.1000109.6H466 H467 A468H466-H494 WeakPolarHBondContact O-CB 3.38Å; H466-H494 PolarHBondContact O-N 3.25Å; H467-H494 WeakPolarHBondContact CA-O 3.04Å; A468-H494 PolarHBondContact N-O 3.39Å; A468-H494 VanDerWaalsContact N-O 3.1Å
495A98.6Very high97.2Very high0 Ų042.1 Ų42.10%020%0.203CC..EExtended strand (participates in β ladder)trans-91.2131.5177.100000111.4A468 F470 A484 L487 K488 I493A468-A495 HydrophobicContact CB-CB 4.29Å; A468-A495 CarbonylContact O-C 3.38Å; A468-A495 VanDerWaalsContact O-CA 3.27Å; A468-A495 WeakPolarHBondContact O-CA 3.25Å; F470-A495 HydrophobicContact CD2-CB 4.37Å; F470-A495 HydrophobicContact CE2-CB 3.99Å; A484-A495 HydrophobicContact CB-CB 4.11Å; A484-A495 WeakPolarHBondContact O-CB 3.49Å; L487-A495 HydrophobicContact CB-CB 3.98Å; L487-A495 HydrophobicContact CD2-CB 4.02Å; L487-A495 HydrophobicContact CG-CB 4.26Å; K488-A495 HydrophobicContact CB-CB 4.33Å; K488-A495 WeakPolarHBondContact CE-O 3.39Å; K488-A495 PolarHBondContact NZ-O 3.5Å; I493-A495 PolarHBondContact O-N 3.43Å
496E98.6Very high97.1Very high69 Ų6942.6 Ų42.632%0.32222%0.217SC..EExtended strand (participates in β ladder)trans-131.8145.6178.3-169.2174.3-150.500110.2A468 L469 F470 Y498A468-E496 PolarHBondContact O-N 3.1Å; L469-E496 CarbonylContact C-O 3.57Å; L469-E496 VanDerWaalsContact CA-O 3.29Å; L469-E496 WeakPolarHBondContact CA-O 3.21Å; L469-E496 HydrophobicContact CD2-CB 4.06Å; F470-E496 PolarHBondContact N-O 2.99Å; E496-Y498 HydrophobicContact CB-CE2 4.22Å; E496-Y498 VanDerWaalsContact CD-CE2 3.49Å; E496-Y498 VanDerWaalsContact CD-CZ 3.44Å; E496-Y498 HydrophobicContact CG-CD2 4.36Å; E496-Y498 HydrophobicContact CG-CE2 3.61Å; E496-Y498 PolarHBondContact OE1-OH 3.4Å; E496-Y498 VanDerWaalsContact OE1-OH 3.09Å; E496-Y498 VanDerWaalsContact OE2-CE2 3.31Å; E496-Y498 WeakPolarHBondContact OE2-CE2 3.43Å; E496-Y498 PolarHBondContact OE2-OH 2.98Å
497A98.6Very high96.9Very high12 Ų1243.8 Ų43.810%0.09922%0.224CC..EExtended strand (participates in β ladder)trans-117.2145.4-179.500000112F470 A480 L481 A484F470-A497 HydrophobicContact CB-CB 3.88Å; F470-A497 CarbonylContact O-C 3.53Å; F470-A497 VanDerWaalsContact O-CA 3.24Å; F470-A497 WeakPolarHBondContact O-CA 3.49Å; A480-A497 VanDerWaalsContact C-CB 3.42Å; A480-A497 HydrophobicContact CB-CB 4.19Å; A480-A497 VanDerWaalsContact O-CB 3.28Å; A480-A497 WeakPolarHBondContact O-CB 3.38Å; L481-A497 HydrophobicContact CB-CB 4.48Å; L481-A497 HydrophobicContact CD2-CB 3.92Å; L481-A497 HydrophobicContact CG-CB 4.29Å; A484-A497 HydrophobicContact CB-CB 3.81Å
498Y98.3Very high96.7Very high47 Ų4745.1 Ų45.118%0.18423%0.232CC..EExtended strand (participates in β ladder)trans-134.8146.1178.5-69.8-86.3000110.8L469 F470 G472 E496 A500 P507L469-Y498 HydrophobicContact CD2-CD2 4.09Å; L469-Y498 HydrophobicContact CD2-CE2 3.8Å; F470-Y498 PolarHBondContact O-N 2.96Å; G472-Y498 PolarHBondContact N-O 2.74Å; E496-Y498 HydrophobicContact CB-CE2 4.22Å; E496-Y498 VanDerWaalsContact CD-CE2 3.49Å; E496-Y498 VanDerWaalsContact CD-CZ 3.44Å; E496-Y498 HydrophobicContact CG-CD2 4.36Å; E496-Y498 HydrophobicContact CG-CE2 3.61Å; E496-Y498 PolarHBondContact OE1-OH 3.4Å; E496-Y498 VanDerWaalsContact OE1-OH 3.09Å; E496-Y498 VanDerWaalsContact OE2-CE2 3.31Å; E496-Y498 WeakPolarHBondContact OE2-CE2 3.43Å; E496-Y498 PolarHBondContact OE2-OH 2.98Å; Y498-A500 PolarHBondContact O-N 3.5Å; Y498-P507 HydrophobicContact CD1-CB 4.29Å; Y498-P507 HydrophobicContact CD1-CG 3.86Å; Y498-P507 HydrophobicContact CD2-CB 4.47Å; Y498-P507 HydrophobicContact CE1-CB 3.84Å; Y498-P507 HydrophobicContact CE1-CG 3.3Å; Y498-P507 HydrophobicContact CE2-CB 4.04Å; Y498-P507 HydrophobicContact CE2-CG 4.42Å
499A98Very high96.6Very high31 Ų3145.4 Ų45.426%0.25625%0.251SS..EExtended strand (participates in β ladder)trans-61.7125.4160.700000107.2Y477 G501 E502Y477-A499 VanDerWaalsContact CD2-CA 3.47Å; Y477-A499 HydrophobicContact CD2-CB 3.82Å; Y477-A499 VanDerWaalsContact CD2-N 3.27Å; Y477-A499 HydrophobicContact CE2-CB 4.06Å; Y477-A499 HydrophobicContact CG-CB 4.05Å; A499-G501 PolarHBondContact O-N 2.63Å; A499-E502 HydrophobicContact CB-CG 4.38Å; A499-E502 WeakPolarHBondContact O-CB 3.49Å; A499-E502 PolarHBondContact O-N 3.06Å
500A96.3Very high96.5Very high0 Ų047.4 Ų47.40%026%0.262CS..G310 helixtrans-57.4-29.3-166.400000113.5L471 G472 Y498 E502 L530 N533L471-A500 HydrophobicContact CB-CB 4.14Å; G472-A500 PolarHBondContact O-N 2.81Å; Y498-A500 PolarHBondContact O-N 3.5Å; A500-E502 VanDerWaalsContact C-N 3.32Å; A500-E502 PolarHBondContact O-N 3.46Å; A500-L530 HydrophobicContact CB-CD1 3.66Å; A500-N533 HydrophobicContact CB-CB 4.26Å; A500-N533 WeakPolarHBondContact CB-ND2 3.42Å; A500-N533 PolarHBondContact O-ND2 3.39Å; A500-N533 VanDerWaalsContact O-ND2 3.14Å
501G95.3Very high96.4Very high19 Ų1948.2 Ų48.220%0.19627%0.266CS..G310 helixtrans-72.4-18.5177.200000115.4A499 N533A499-G501 PolarHBondContact O-N 2.63Å; G501-N533 PolarHBondContact N-ND2 2.78Å
502E95.7Very high96.3Very high109 Ų10951.8 Ų51.851%0.50929%0.285SS..G310 helixtrans-85.1-16.4-178.5-75.9-62105.200113.1A499 A500 K504 H505A499-E502 HydrophobicContact CB-CG 4.38Å; A499-E502 WeakPolarHBondContact O-CB 3.49Å; A499-E502 PolarHBondContact O-N 3.06Å; A500-E502 VanDerWaalsContact C-N 3.32Å; A500-E502 PolarHBondContact O-N 3.46Å; E502-K504 VanDerWaalsContact C-N 3.27Å; E502-K504 PolarHBondContact O-N 2.91Å; E502-K504 VanDerWaalsContact O-N 3.16Å; E502-H505 WeakPolarHBondContact O-CB 3.3Å; E502-H505 PolarHBondContact O-N 2.92Å; E502-H505 IonicContact OE1-CD2 3.82Å
503L91.4Very high96.1Very high1 Ų151.3 Ų51.31%0.00530%0.296CS..G310 helixtrans-55.5-43-171.7-16872.9000112.2L469 L471 H505 P507 L508 V537L469-L503 HydrophobicContact CD1-CD1 4.16Å; L471-L503 HydrophobicContact CD1-CD2 4.11Å; L471-L503 HydrophobicContact CD2-CD1 4.21Å; L471-L503 HydrophobicContact CD2-CD2 4.47Å; L503-H505 PolarHBondContact O-N 3.3Å; L503-H505 VanDerWaalsContact O-N 3.12Å; L503-P507 HydrophobicContact CD1-CB 3.91Å; L503-P507 WeakPolarHBondContact O-CD 3.33Å; L503-L508 HydrophobicContact CD2-CD1 3.54Å; L503-L508 HydrophobicContact CG-CB 4.18Å; L503-L508 HydrophobicContact CG-CD1 3.87Å; L503-L508 VanDerWaalsContact O-CB 3.27Å; L503-L508 WeakPolarHBondContact O-CB 3.44Å; L503-L508 PolarHBondContact O-N 2.95Å; L503-V537 HydrophobicContact CD2-CG2 3.28Å
504K91.4Very high96Very high115 Ų11556.5 Ų56.550%0.532%0.324SS..G310 helixtrans-66-10.9178.268.8-174.9175.7-172.90115.3E502 G506E502-K504 VanDerWaalsContact C-N 3.27Å; E502-K504 PolarHBondContact O-N 2.91Å; E502-K504 VanDerWaalsContact O-N 3.16Å; K504-G506 VanDerWaalsContact C-N 3.27Å; K504-G506 PolarHBondContact O-N 3.08Å
505H96.1Very high96Very high129 Ų12952.4 Ų52.460%0.59731%0.305SS*.G310 helixtrans-90.518-177.7-67.9-75.4000113.4E502 L503E502-H505 WeakPolarHBondContact O-CB 3.3Å; E502-H505 PolarHBondContact O-N 2.92Å; E502-H505 IonicContact OE1-CD2 3.82Å; L503-H505 PolarHBondContact O-N 3.3Å; L503-H505 VanDerWaalsContact O-N 3.12Å
506G95.4Very high96Very high47 Ų4752.5 Ų52.549%0.48531%0.305SS..THydrogen-bonded Turntrans148-55.8174.600000112.7K504 L508 A509K504-G506 VanDerWaalsContact C-N 3.27Å; K504-G506 PolarHBondContact O-N 3.08Å; G506-L508 PolarHBondContact O-N 2.89Å; G506-A509 WeakPolarHBondContact O-CB 3.38Å; G506-A509 PolarHBondContact O-N 2.95Å
507P95Very high95.9Very high26 Ų2649.2 Ų49.217%0.16929%0.29CS..G310 helixtrans-59.4-22.4-174.6-27.635.7000115.4Y498 L503 A509 L510Y498-P507 HydrophobicContact CD1-CB 4.29Å; Y498-P507 HydrophobicContact CD1-CG 3.86Å; Y498-P507 HydrophobicContact CD2-CB 4.47Å; Y498-P507 HydrophobicContact CE1-CB 3.84Å; Y498-P507 HydrophobicContact CE1-CG 3.3Å; Y498-P507 HydrophobicContact CE2-CB 4.04Å; Y498-P507 HydrophobicContact CE2-CG 4.42Å; L503-P507 HydrophobicContact CD1-CB 3.91Å; L503-P507 WeakPolarHBondContact O-CD 3.33Å; P507-A509 PolarHBondContact O-N 3.18Å; P507-L510 VanDerWaalsContact O-CB 3.31Å; P507-L510 WeakPolarHBondContact O-CB 3.35Å; P507-L510 WeakPolarHBondContact O-CG 3.4Å; P507-L510 PolarHBondContact O-N 2.77Å
508L94.5Very high96Very high30 Ų3048.7 Ų48.716%0.15729%0.286CS..G310 helixtrans-57.2-22.1174.4-166.470.7000112.7L503 G506 L510 I511 V537 R540L503-L508 HydrophobicContact CD2-CD1 3.54Å; L503-L508 HydrophobicContact CG-CB 4.18Å; L503-L508 HydrophobicContact CG-CD1 3.87Å; L503-L508 VanDerWaalsContact O-CB 3.27Å; L503-L508 WeakPolarHBondContact O-CB 3.44Å; L503-L508 PolarHBondContact O-N 2.95Å; G506-L508 PolarHBondContact O-N 2.89Å; L508-L510 PolarHBondContact O-N 2.87Å; L508-I511 HydrophobicContact CD1-CG1 3.86Å; L508-I511 WeakPolarHBondContact O-CB 3.44Å; L508-I511 PolarHBondContact O-N 3.4Å; L508-I511 VanDerWaalsContact O-N 3.12Å; L508-V537 HydrophobicContact CD1-CG2 4.41Å; L508-R540 HydrophobicContact CG-CG 4.42Å
509A96.2Very high96Very high94 Ų9446.5 Ų46.578%0.77728%0.277SS*.G310 helixtrans-64.7-15.8174.200000113.9G506 P507 I511G506-A509 WeakPolarHBondContact O-CB 3.38Å; G506-A509 PolarHBondContact O-N 2.95Å; P507-A509 PolarHBondContact O-N 3.18Å; A509-I511 VanDerWaalsContact C-N 3.34Å
510L96.1Very high96Very high83 Ų8345.1 Ų45.144%0.43527%0.265SS..G310 helixtrans-82.3-11.5175-58.3176.8000113P507 L508 D512 M515P507-L510 VanDerWaalsContact O-CB 3.31Å; P507-L510 WeakPolarHBondContact O-CB 3.35Å; P507-L510 WeakPolarHBondContact O-CG 3.4Å; P507-L510 PolarHBondContact O-N 2.77Å; L508-L510 PolarHBondContact O-N 2.87Å; L510-D512 PolarHBondContact O-N 2.8Å; L510-M515 HydrophobicContact CB-CE 4.38Å
511I96.2Very high96.1Very high16 Ų1645.1 Ų45.18%0.08227%0.265CS..  trans-77.8122.5-178.2-55.6-57.3000110.2L469 L508 A509 M515 V517 V537 R540L469-I511 HydrophobicContact CD1-CD1 3.53Å; L508-I511 HydrophobicContact CD1-CG1 3.86Å; L508-I511 WeakPolarHBondContact O-CB 3.44Å; L508-I511 PolarHBondContact O-N 3.4Å; L508-I511 VanDerWaalsContact O-N 3.12Å; A509-I511 VanDerWaalsContact C-N 3.34Å; I511-M515 HydrophobicContact CD1-CG 3.93Å; I511-V517 HydrophobicContact CD1-CG2 3.73Å; I511-V537 HydrophobicContact CD1-CG1 4.3Å; I511-V537 HydrophobicContact CG2-CG1 4.25Å; I511-R540 HydrophobicContact CB-CB 4.04Å; I511-R540 HydrophobicContact CG2-CB 3.65Å
512D94.6Very high96.1Very high79 Ų7944.6 Ų44.642%0.42226%0.259SS..  trans-137.1-169.3167.161.726.6000110.1L510 D514 M515 G541 G542L510-D512 PolarHBondContact O-N 2.8Å; D512-D514 PolarHBondContact O-N 2.91Å; D512-D514 WeakPolarHBondContact OD1-CA 3.39Å; D512-D514 PolarHBondContact OD1-N 2.99Å; D512-M515 PolarHBondContact OD1-N 3.15Å; D512-G541 CarbonylContact O-C 3.53Å; D512-G542 WeakPolarHBondContact O-CA 3.42Å; D512-G542 PolarHBondContact O-N 2.69Å
513A95Very high96.1Very high62 Ų6242.8 Ų42.851%0.51225%0.252SS..SBendtrans-68-19.1-178.800000114.2G541 Q543A513-G541 WeakPolarHBondContact CA-O 3.44Å; A513-Q543 WeakPolarHBondContact O-CG 3.33Å; A513-Q543 PolarHBondContact O-NE2 3.44Å
514D96.5Very high96.2Very high113 Ų11344 Ų4460%0.60426%0.259SS*.SBendtrans-98.9-20.1-175.3-64.7-42.9000112.3K465 D512 P516K465-D514 WeakPolarHBondContact CD-O 3.34Å; K465-D514 WeakPolarHBondContact CE-O 3.28Å; D512-D514 PolarHBondContact O-N 2.91Å; D512-D514 WeakPolarHBondContact OD1-CA 3.39Å; D512-D514 PolarHBondContact OD1-N 2.99Å; D514-P516 WeakPolarHBondContact O-CD 3.47Å
515M97.7Very high96.3Very high19 Ų1946.7 Ų46.79%0.09427%0.273CS..  trans-72111.8-179.4-176.261.466.900112.2H467 L469 L510 I511 D512 V517 Q543H467-M515 HydrophobicContact CB-CE 3.57Å; H467-M515 HydrophobicContact CB-SD 3.77Å; L469-M515 HydrophobicContact CD1-CG 4.3Å; L469-M515 HydrophobicContact CD1-SD 4.47Å; L469-M515 HydrophobicContact CG-CG 4.32Å; L469-M515 HydrophobicContact CG-SD 3.96Å; L510-M515 HydrophobicContact CB-CE 4.38Å; I511-M515 HydrophobicContact CD1-CG 3.93Å; D512-M515 PolarHBondContact OD1-N 3.15Å; M515-V517 HydrophobicContact CG-CG2 4.36Å; M515-Q543 PolarHBondContact O-N 2.7Å
516P98.3Very high96.2Very high1 Ų142.8 Ų42.81%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-80.5137.3172.834-30.3000110.4F462 K465 H467 A468 L469 D514 Q543 Y545F462-P516 HydrophobicContact CD1-CB 4.42Å; F462-P516 HydrophobicContact CD1-CG 4.14Å; F462-P516 HydrophobicContact CE1-CB 3.62Å; F462-P516 HydrophobicContact CE1-CG 3.67Å; F462-P516 HydrophobicContact CZ-CB 4.01Å; K465-P516 HydrophobicContact CB-CG 4.47Å; K465-P516 HydrophobicContact CD-CG 4.33Å; K465-P516 HydrophobicContact CG-CG 4.22Å; H467-P516 WeakPolarHBondContact O-CD 2.92Å; H467-P516 WeakPolarHBondContact O-CG 3.48Å; A468-P516 WeakPolarHBondContact CA-O 3.14Å; A468-P516 HydrophobicContact CB-CG 4.02Å; L469-P516 PolarHBondContact N-O 2.9Å; D514-P516 WeakPolarHBondContact O-CD 3.47Å; P516-Q543 CarbonylContact C-O 3.45Å; P516-Q543 WeakPolarHBondContact CA-O 3.06Å; P516-Y545 HydrophobicContact CB-CD2 4.04Å; P516-Y545 HydrophobicContact CB-CE2 3.58Å
517V98.4Very high96.2Very high0 Ų041 Ų410%024%0.236CC..EExtended strand (participates in β ladder)trans-123.5107.5-179.5-174.40000109.7L469 L471 I511 M515 V519 V537 Q543 L544 Y545L469-V517 HydrophobicContact CB-CG1 4.4Å; L469-V517 HydrophobicContact CB-CG2 4.28Å; L469-V517 CarbonylContact O-C 3.51Å; L469-V517 WeakPolarHBondContact O-CA 3.45Å; L471-V517 HydrophobicContact CD1-CG1 3.52Å; L471-V517 HydrophobicContact CG-CG1 3.8Å; I511-V517 HydrophobicContact CD1-CG2 3.73Å; M515-V517 HydrophobicContact CG-CG2 4.36Å; V517-V519 HydrophobicContact CG1-CG2 4.09Å; V517-V537 HydrophobicContact CB-CG1 4.06Å; V517-V537 HydrophobicContact CG1-CG1 4.3Å; V517-V537 HydrophobicContact CG1-CG2 4.48Å; V517-V537 HydrophobicContact CG2-CG1 3.63Å; V517-Q543 PolarHBondContact N-O 3.37Å; V517-L544 HydrophobicContact CB-CD2 4.28Å; V517-L544 HydrophobicContact CG1-CD2 4.32Å; V517-L544 WeakPolarHBondContact O-CA 3.48Å; V517-Y545 PolarHBondContact O-N 3.1Å
518I98.8Very high96.1Very high2 Ų245.6 Ų45.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-85.9131.9176.8-59.478.5000109.2F462 A468 L469 F470 L471 Y545 F547 L581 L584F462-I518 HydrophobicContact CE1-CD1 3.73Å; F462-I518 HydrophobicContact CE1-CG1 4.48Å; F462-I518 HydrophobicContact CZ-CD1 3.79Å; F462-I518 HydrophobicContact CZ-CG1 4.08Å; A468-I518 HydrophobicContact CB-CD1 3.94Å; L469-I518 PolarHBondContact O-N 3.23Å; F470-I518 CarbonylContact C-O 3.49Å; F470-I518 VanDerWaalsContact CA-O 3.3Å; F470-I518 WeakPolarHBondContact CA-O 3.28Å; F470-I518 HydrophobicContact CD1-CB 3.82Å; F470-I518 HydrophobicContact CD1-CG2 3.84Å; F470-I518 HydrophobicContact CD2-CB 4.39Å; F470-I518 HydrophobicContact CD2-CD1 4.16Å; F470-I518 HydrophobicContact CE1-CB 3.81Å; F470-I518 HydrophobicContact CE1-CG1 4.07Å; F470-I518 HydrophobicContact CE1-CG2 3.71Å; F470-I518 HydrophobicContact CE2-CB 4.36Å; F470-I518 HydrophobicContact CE2-CD1 3.69Å; F470-I518 HydrophobicContact CE2-CG1 4.16Å; F470-I518 HydrophobicContact CG-CB 4.12Å; F470-I518 HydrophobicContact CZ-CB 4.09Å; F470-I518 HydrophobicContact CZ-CD1 3.89Å; F470-I518 HydrophobicContact CZ-CG1 3.87Å; F470-I518 HydrophobicContact CZ-CG2 4.37Å; L471-I518 PolarHBondContact N-O 2.77Å; I518-Y545 CarbonylContact C-O 3.43Å; I518-Y545 WeakPolarHBondContact CA-O 3.37Å; I518-F547 HydrophobicContact CG2-CD2 3.93Å; I518-F547 HydrophobicContact CG2-CE2 3.7Å; I518-L581 HydrophobicContact CG2-CD2 3.79Å; I518-L584 HydrophobicContact CG1-CD2 4.02Å
519V98.5Very high96.2Very high0 Ų050.5 Ų50.50%028%0.275CS..EExtended strand (participates in β ladder)trans-132.4134.1-177.7-170.20000110.9L471 V517 L530 I534 L544 Y545 V546 F547L471-V519 HydrophobicContact CB-CG1 4.36Å; L471-V519 HydrophobicContact CB-CG2 4.17Å; L471-V519 HydrophobicContact CD1-CG2 4.28Å; V517-V519 HydrophobicContact CG1-CG2 4.09Å; V519-L530 HydrophobicContact CG1-CD1 3.93Å; V519-L530 HydrophobicContact CG1-CD2 4.02Å; V519-L530 HydrophobicContact CG1-CG 4.2Å; V519-I534 HydrophobicContact CG1-CD1 4.04Å; V519-I534 HydrophobicContact CG1-CG1 4.25Å; V519-I534 HydrophobicContact CG2-CG1 4.35Å; V519-L544 HydrophobicContact CG2-CD2 4.06Å; V519-Y545 PolarHBondContact N-O 2.79Å; V519-V546 HydrophobicContact CB-CG1 4.26Å; V519-V546 HydrophobicContact CB-CG2 4.47Å; V519-F547 PolarHBondContact O-N 2.88Å
520V98.1Very high96.1Very high2 Ų246.4 Ų46.41%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-100120.3169.8-75.40000110.2L471 Q476 I479 L530 Y577 L581L471-V520 PolarHBondContact O-N 2.79Å; Q476-V520 HydrophobicContact CB-CG2 3.83Å; I479-V520 HydrophobicContact CG2-CG1 4.41Å; V520-L530 WeakPolarHBondContact O-CD2 3.39Å; V520-Y577 HydrophobicContact CB-CD1 4.19Å; V520-Y577 HydrophobicContact CG1-CD1 4.16Å; V520-L581 HydrophobicContact CG1-CD1 3.85Å; V520-L581 HydrophobicContact CG1-CD2 4.3Å; V520-L581 HydrophobicContact CG1-CG 4.31Å
521A98Very high95.9Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-134.873.3-168.700000112.8L527 L530 V546 F547 A548 D549 F554A521-L527 HydrophobicContact CB-CD1 4.44Å; A521-L530 HydrophobicContact CB-CD2 3.61Å; A521-V546 HydrophobicContact CB-CG1 3.89Å; A521-F547 PolarHBondContact N-O 2.83Å; A521-A548 HydrophobicContact CB-CB 4.13Å; A521-A548 WeakPolarHBondContact O-CA 3.39Å; A521-D549 PolarHBondContact O-N 3.02Å; A521-F554 HydrophobicContact CB-CE2 3.92Å; A521-F554 HydrophobicContact CB-CZ 4.27Å
522P96.7Very high95.8Very high9 Ų947 Ų476%0.05825%0.247CC..  trans-63.6156.7169.329.7-35.8000111.8Q476 N524 A573 Y577Q476-P522 HydrophobicContact CG-CG 3.75Å; P522-N524 PolarHBondContact O-N 3.42Å; P522-A573 HydrophobicContact CB-CB 4.39Å; P522-Y577 WeakPolarHBondContact CA-OH 3.4Å; P522-Y577 HydrophobicContact CB-CD2 4.44Å; P522-Y577 HydrophobicContact CB-CE2 3.77Å
523N95.3Very high95.8Very high70 Ų7043.6 Ų43.637%0.37423%0.228SC..SBendtrans-82.478.1176.5-170.916.7000111.4D549N523-D549 HydrophobicContact CB-CB 3.73Å
524N94.1Very high95.7Very high26 Ų2640.7 Ų40.714%0.13920%0.204CC..SBendtrans-128.2-175.9177.169.211.5000113.4P522 L526 L527 E570P522-N524 PolarHBondContact O-N 3.42Å; N524-L526 PolarHBondContact O-N 2.86Å; N524-L526 WeakPolarHBondContact OD1-CB 3.4Å; N524-L526 PolarHBondContact OD1-N 2.92Å; N524-L527 VanDerWaalsContact O-CB 3.24Å; N524-L527 WeakPolarHBondContact O-CB 3.42Å; N524-L527 PolarHBondContact O-N 3.09Å; N524-E570 HydrophobicContact CB-CG 4.45Å; N524-E570 WeakPolarHBondContact CB-OE1 3.29Å
525E93Very high95.6Very high173 Ų17339.8 Ų39.881%0.80820%0.197SC*.THydrogen-bonded Turntrans-58.2-19.4-178.862.1174.7-143.600114.5
526L94.3Very high95.4Very high46 Ų4641.5 Ų41.524%0.24120%0.204CC..THydrogen-bonded Turntrans-91.1-6.9179.9-59.5-179.5000113.4R473 N524 E528 K529 L530R473-L526 HydrophobicContact CB-CD1 4.23Å; R473-L526 HydrophobicContact CG-CD1 4.04Å; N524-L526 PolarHBondContact O-N 2.86Å; N524-L526 WeakPolarHBondContact OD1-CB 3.4Å; N524-L526 PolarHBondContact OD1-N 2.92Å; L526-E528 PolarHBondContact O-N 3.44Å; L526-K529 PolarHBondContact O-N 3.12Å; L526-K529 VanDerWaalsContact O-N 3.14Å; L526-L530 PolarHBondContact O-N 2.74Å
527L94.7Very high95.2Very high9 Ų941.4 Ų41.45%0.04720%0.204CC..Hα-helixtrans-56-49.7-174178.162.8000112.6A521 N524 K529 L530 K531 A552 F554A521-L527 HydrophobicContact CB-CD1 4.44Å; N524-L527 VanDerWaalsContact O-CB 3.24Å; N524-L527 WeakPolarHBondContact O-CB 3.42Å; N524-L527 PolarHBondContact O-N 3.09Å; L527-K529 VanDerWaalsContact C-N 3.28Å; L527-K529 PolarHBondContact O-N 2.76Å; L527-L530 CarbonylContact O-C 3.6Å; L527-L530 WeakPolarHBondContact O-CA 3.39Å; L527-L530 WeakPolarHBondContact O-CB 3.47Å; L527-L530 PolarHBondContact O-N 2.98Å; L527-K531 HydrophobicContact CD1-CG 4.48Å; L527-K531 WeakPolarHBondContact O-CG 3.36Å; L527-K531 PolarHBondContact O-N 2.83Å; L527-A552 HydrophobicContact CD1-CB 4.03Å; L527-A552 HydrophobicContact CD2-CB 3.8Å; L527-F554 HydrophobicContact CD1-CE2 3.79Å; L527-F554 HydrophobicContact CD1-CZ 4.14Å
528E94.1Very high94.9Very high124 Ų12445.3 Ų45.358%0.57922%0.218SC*.Hα-helixtrans-64.6-34.6-178.7-71.1-57.6129.700112.2L526 L530 K531 S532L526-E528 PolarHBondContact O-N 3.44Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-K531 IonicContact OE1-NZ 2.94Å; E528-K531 PolarHBondContact OE1-NZ 3.11Å; E528-S532 PolarHBondContact O-N 3.4Å
529K94.8Very high94.7Very high133 Ų13349 Ų4958%0.57825%0.25SC*.Hα-helixtrans-69.6-36.3174-58.6-64.5-174.4-173.90110.9R473 L526 L527 N533R473-K529 PolarHBondContact NH1-O 3.19Å; L526-K529 PolarHBondContact O-N 3.12Å; L526-K529 VanDerWaalsContact O-N 3.14Å; L527-K529 VanDerWaalsContact C-N 3.28Å; L527-K529 PolarHBondContact O-N 2.76Å; K529-N533 PolarHBondContact O-N 3.33Å
530L94Very high94.5Very high7 Ų757 Ų574%0.03728%0.28CS..Hα-helixtrans-68.5-42.7176.9-178.762.1000111.3A500 V519 V520 A521 L526 L527 E528 S532 N533 I534A500-L530 HydrophobicContact CB-CD1 3.66Å; V519-L530 HydrophobicContact CG1-CD1 3.93Å; V519-L530 HydrophobicContact CG1-CD2 4.02Å; V519-L530 HydrophobicContact CG1-CG 4.2Å; V520-L530 WeakPolarHBondContact O-CD2 3.39Å; A521-L530 HydrophobicContact CB-CD2 3.61Å; L526-L530 PolarHBondContact O-N 2.74Å; L527-L530 CarbonylContact O-C 3.6Å; L527-L530 WeakPolarHBondContact O-CA 3.39Å; L527-L530 WeakPolarHBondContact O-CB 3.47Å; L527-L530 PolarHBondContact O-N 2.98Å; E528-L530 VanDerWaalsContact C-N 3.34Å; L530-S532 VanDerWaalsContact C-N 3.26Å; L530-S532 PolarHBondContact O-N 2.97Å; L530-N533 WeakPolarHBondContact O-CB 3.29Å; L530-N533 PolarHBondContact O-N 3.42Å; L530-I534 HydrophobicContact CG-CD1 4.17Å; L530-I534 WeakPolarHBondContact O-CG1 3.49Å; L530-I534 PolarHBondContact O-N 2.93Å
531K93.8Very high94.3Very high48 Ų4858 Ų5821%0.20929%0.291CS..Hα-helixtrans-53.6-42.7172.6-76.1-179.9-178.9168.40112.3L527 E528 N533 I534 E535 A552 F554L527-K531 HydrophobicContact CD1-CG 4.48Å; L527-K531 WeakPolarHBondContact O-CG 3.36Å; L527-K531 PolarHBondContact O-N 2.83Å; E528-K531 IonicContact OE1-NZ 2.94Å; E528-K531 PolarHBondContact OE1-NZ 3.11Å; K531-N533 VanDerWaalsContact C-N 3.31Å; K531-N533 PolarHBondContact O-N 2.83Å; K531-I534 WeakPolarHBondContact O-CB 3.34Å; K531-I534 PolarHBondContact O-N 3.21Å; K531-E535 PolarHBondContact O-N 2.97Å; K531-A552 WeakPolarHBondContact CE-O 3.48Å; K531-A552 PolarHBondContact NZ-O 2.95Å; K531-F554 HydrophobicContact CD-CZ 4.48Å; K531-F554 HydrophobicContact CG-CE1 3.78Å; K531-F554 HydrophobicContact CG-CZ 3.62Å
532S94.2Very high94.2Very high64 Ų6458 Ų5845%0.44829%0.291SS..Hα-helixtrans-58.5-41.4175.1-171.90000112.6E528 L530 E535 E536E528-S532 PolarHBondContact O-N 3.4Å; L530-S532 VanDerWaalsContact C-N 3.26Å; L530-S532 PolarHBondContact O-N 2.97Å; S532-E535 PolarHBondContact O-N 2.79Å; S532-E536 WeakPolarHBondContact O-CG 3.17Å; S532-E536 PolarHBondContact O-N 2.98Å
533N93.9Very high94.2Very high7 Ų759.8 Ų59.84%0.03730%0.299CS..Hα-helixtrans-71-35178.2-59.6-24.1000111.7R473 A500 G501 K529 L530 K531 E535 E536 V537R473-N533 PolarHBondContact NH1-ND2 3.38Å; A500-N533 HydrophobicContact CB-CB 4.26Å; A500-N533 WeakPolarHBondContact CB-ND2 3.42Å; A500-N533 PolarHBondContact O-ND2 3.39Å; A500-N533 VanDerWaalsContact O-ND2 3.14Å; G501-N533 PolarHBondContact N-ND2 2.78Å; K529-N533 PolarHBondContact O-N 3.33Å; L530-N533 WeakPolarHBondContact O-CB 3.29Å; L530-N533 PolarHBondContact O-N 3.42Å; K531-N533 VanDerWaalsContact C-N 3.31Å; K531-N533 PolarHBondContact O-N 2.83Å; N533-E535 VanDerWaalsContact C-N 3.35Å; N533-E536 WeakPolarHBondContact O-CB 3.24Å; N533-E536 PolarHBondContact O-N 2.98Å; N533-V537 PolarHBondContact O-N 3.06Å
534I93.3Very high94.3Very high1 Ų156.5 Ų56.51%0.00528%0.281CS..Hα-helixtrans-60.7-44.7174.7-72169.9000110.5V519 L530 K531 E536 V537 R538 L544 V546 F554 M560V519-I534 HydrophobicContact CG1-CD1 4.04Å; V519-I534 HydrophobicContact CG1-CG1 4.25Å; V519-I534 HydrophobicContact CG2-CG1 4.35Å; L530-I534 HydrophobicContact CG-CD1 4.17Å; L530-I534 WeakPolarHBondContact O-CG1 3.49Å; L530-I534 PolarHBondContact O-N 2.93Å; K531-I534 WeakPolarHBondContact O-CB 3.34Å; K531-I534 PolarHBondContact O-N 3.21Å; I534-E536 VanDerWaalsContact C-N 3.3Å; I534-E536 PolarHBondContact O-N 2.91Å; I534-V537 WeakPolarHBondContact O-CB 3.4Å; I534-V537 PolarHBondContact O-N 2.87Å; I534-R538 WeakPolarHBondContact O-CB 3.33Å; I534-R538 PolarHBondContact O-N 2.95Å; I534-L544 HydrophobicContact CB-CD2 4.47Å; I534-L544 HydrophobicContact CG1-CD2 4.44Å; I534-L544 HydrophobicContact CG2-CD1 3.89Å; I534-L544 HydrophobicContact CG2-CD2 3.9Å; I534-L544 HydrophobicContact CG2-CG 4.47Å; I534-V546 HydrophobicContact CD1-CG1 4.28Å; I534-V546 HydrophobicContact CD1-CG2 4.46Å; I534-F554 HydrophobicContact CD1-CE1 3.54Å; I534-F554 HydrophobicContact CD1-CZ 3.57Å; I534-M560 HydrophobicContact CG2-SD 4.19Å
535E93.8Very high94.6Very high95 Ų9555.6 Ų55.644%0.44428%0.276SS..Hα-helixtrans-65.1-32.8177.3-72.8-62.1136.600112.6K531 S532 N533 V537 R538 A539K531-E535 PolarHBondContact O-N 2.97Å; S532-E535 PolarHBondContact O-N 2.79Å; N533-E535 VanDerWaalsContact C-N 3.35Å; E535-V537 VanDerWaalsContact C-N 3.35Å; E535-V537 PolarHBondContact O-N 3.27Å; E535-R538 PolarHBondContact O-N 2.9Å; E535-R538 IonicContact OE1-NH1 3.44Å; E535-R538 PolarHBondContact OE1-NH1 2.91Å; E535-R538 IonicContact OE2-NH1 3.9Å; E535-A539 VanDerWaalsContact O-CB 3.3Å; E535-A539 WeakPolarHBondContact O-CB 3.23Å; E535-A539 PolarHBondContact O-N 3.07Å
536E92.8Very high94.8Very high54 Ų5447.3 Ų47.325%0.25224%0.237SC..Hα-helixtrans-62.4-40.6173.4-71.1172.2-171.800112.1S532 N533 I534 R540S532-E536 WeakPolarHBondContact O-CG 3.17Å; S532-E536 PolarHBondContact O-N 2.98Å; N533-E536 WeakPolarHBondContact O-CB 3.24Å; N533-E536 PolarHBondContact O-N 2.98Å; I534-E536 VanDerWaalsContact C-N 3.3Å; I534-E536 PolarHBondContact O-N 2.91Å; E536-R540 WeakPolarHBondContact O-CG 3.41Å
537V94Very high95Very high0 Ų045.1 Ų45.10%023%0.226CC..Hα-helixtrans-66.2-48.1173.8173.70000110.6L471 L503 L508 I511 V517 N533 I534 E535 A539 R540 G541 G542 L544L471-V537 HydrophobicContact CD1-CG2 4.13Å; L503-V537 HydrophobicContact CD2-CG2 3.28Å; L508-V537 HydrophobicContact CD1-CG2 4.41Å; I511-V537 HydrophobicContact CD1-CG1 4.3Å; I511-V537 HydrophobicContact CG2-CG1 4.25Å; V517-V537 HydrophobicContact CB-CG1 4.06Å; V517-V537 HydrophobicContact CG1-CG1 4.3Å; V517-V537 HydrophobicContact CG1-CG2 4.48Å; V517-V537 HydrophobicContact CG2-CG1 3.63Å; N533-V537 PolarHBondContact O-N 3.06Å; I534-V537 WeakPolarHBondContact O-CB 3.4Å; I534-V537 PolarHBondContact O-N 2.87Å; E535-V537 VanDerWaalsContact C-N 3.35Å; E535-V537 PolarHBondContact O-N 3.27Å; V537-A539 VanDerWaalsContact C-N 3.28Å; V537-A539 PolarHBondContact O-N 3.09Å; V537-R540 PolarHBondContact O-N 2.86Å; V537-G541 PolarHBondContact O-N 2.7Å; V537-G542 PolarHBondContact O-N 3.29Å; V537-L544 HydrophobicContact CB-CD2 4.26Å; V537-L544 HydrophobicContact CG1-CD1 4.44Å; V537-L544 HydrophobicContact CG1-CD2 4.01Å; V537-L544 HydrophobicContact CG1-CG 4.14Å
538R93.6Very high95.2Very high81 Ų8144.8 Ų44.831%0.30622%0.224SC..Hα-helixtrans-59-40.7-178.1-162.1-179.6176-157.50.7111.9I534 E535 R540 G541 L544 S557 N559I534-R538 WeakPolarHBondContact O-CB 3.33Å; I534-R538 PolarHBondContact O-N 2.95Å; E535-R538 PolarHBondContact O-N 2.9Å; E535-R538 IonicContact OE1-NH1 3.44Å; E535-R538 PolarHBondContact OE1-NH1 2.91Å; E535-R538 IonicContact OE2-NH1 3.9Å; R538-R540 PolarHBondContact O-N 2.82Å; R538-R540 VanDerWaalsContact O-N 3.12Å; R538-G541 PolarHBondContact O-N 2.98Å; R538-L544 HydrophobicContact CB-CD1 3.67Å; R538-L544 HydrophobicContact CG-CD1 3.99Å; R538-S557 PolarHBondContact NH2-OG 3.47Å; R538-N559 VanDerWaalsContact CG-ND2 3.33Å; R538-N559 WeakPolarHBondContact CG-ND2 3.49Å; R538-N559 PolarHBondContact NE-OD1 3.39Å; R538-N559 VanDerWaalsContact NE-OD1 3.1Å
539A93.9Very high95.4Very high81 Ų8139.1 Ų39.167%0.66920%0.198SC*.THydrogen-bonded Turntrans-63.5-14.4177.600000114E535 V537E535-A539 VanDerWaalsContact O-CB 3.3Å; E535-A539 WeakPolarHBondContact O-CB 3.23Å; E535-A539 PolarHBondContact O-N 3.07Å; V537-A539 VanDerWaalsContact C-N 3.28Å; V537-A539 PolarHBondContact O-N 3.09Å
540R94.9Very high95.4Very high166 Ų16638.1 Ų38.163%0.62620%0.195SC*.THydrogen-bonded Turntrans-104.93.5176.7-57.6-59.3-178.8-177.2-0.2113.5L508 I511 E536 V537 R538L508-R540 HydrophobicContact CG-CG 4.42Å; I511-R540 HydrophobicContact CB-CB 4.04Å; I511-R540 HydrophobicContact CG2-CB 3.65Å; E536-R540 WeakPolarHBondContact O-CG 3.41Å; V537-R540 PolarHBondContact O-N 2.86Å; R538-R540 PolarHBondContact O-N 2.82Å; R538-R540 VanDerWaalsContact O-N 3.12Å
541G93.6Very high95.4Very high25 Ų2542.6 Ų42.626%0.25822%0.219SC..THydrogen-bonded Turntrans92.50.8175.700000115.1D512 A513 V537 R538D512-G541 CarbonylContact O-C 3.53Å; A513-G541 WeakPolarHBondContact CA-O 3.44Å; V537-G541 PolarHBondContact O-N 2.7Å; R538-G541 PolarHBondContact O-N 2.98Å
542G95.6Very high95.6Very high0 Ų040.4 Ų40.40%021%0.21CC..  trans-58.9144.2179.100000112.8D512 V537D512-G542 WeakPolarHBondContact O-CA 3.42Å; D512-G542 PolarHBondContact O-N 2.69Å; V537-G542 PolarHBondContact O-N 3.29Å
543Q96.9Very high95.6Very high46 Ų4640.2 Ų40.222%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-88.1111.7177.1-60.1-62.6-31.400109.3A513 M515 P516 V517 Y545A513-Q543 WeakPolarHBondContact O-CG 3.33Å; A513-Q543 PolarHBondContact O-NE2 3.44Å; M515-Q543 PolarHBondContact O-N 2.7Å; P516-Q543 CarbonylContact C-O 3.45Å; P516-Q543 WeakPolarHBondContact CA-O 3.06Å; V517-Q543 PolarHBondContact N-O 3.37Å; Q543-Y545 HydrophobicContact CB-CE2 3.93Å; Q543-Y545 WeakPolarHBondContact O-CD2 3.34Å; Q543-Y545 WeakPolarHBondContact O-CE2 3.31Å
544L98Very high95.6Very high0 Ų041.6 Ų41.60%022%0.224CC..EExtended strand (participates in β ladder)trans-93.2132-172.8-75.6144.5000111.9V517 V519 I534 V537 R538 V546 N559 M560 H561V517-L544 HydrophobicContact CB-CD2 4.28Å; V517-L544 HydrophobicContact CG1-CD2 4.32Å; V517-L544 WeakPolarHBondContact O-CA 3.48Å; V519-L544 HydrophobicContact CG2-CD2 4.06Å; I534-L544 HydrophobicContact CB-CD2 4.47Å; I534-L544 HydrophobicContact CG1-CD2 4.44Å; I534-L544 HydrophobicContact CG2-CD1 3.89Å; I534-L544 HydrophobicContact CG2-CD2 3.9Å; I534-L544 HydrophobicContact CG2-CG 4.47Å; V537-L544 HydrophobicContact CB-CD2 4.26Å; V537-L544 HydrophobicContact CG1-CD1 4.44Å; V537-L544 HydrophobicContact CG1-CD2 4.01Å; V537-L544 HydrophobicContact CG1-CG 4.14Å; R538-L544 HydrophobicContact CB-CD1 3.67Å; R538-L544 HydrophobicContact CG-CD1 3.99Å; L544-V546 HydrophobicContact CB-CG2 4.21Å; L544-N559 PolarHBondContact N-O 2.9Å; L544-M560 HydrophobicContact CB-CB 4.35Å; L544-M560 HydrophobicContact CB-CG 4.08Å; L544-H561 PolarHBondContact O-CD2 3.24Å; L544-H561 PolarHBondContact O-N 3.05Å
545Y98.5Very high95.7Very high7 Ų746.8 Ų46.83%0.02726%0.255CS..EExtended strand (participates in β ladder)trans-120.893.3175.3-62.3-95.7000108.4L458 D461 F462 P516 V517 I518 V519 Q543 H561L458-Y545 HydrophobicContact CD1-CD1 3.65Å; L458-Y545 HydrophobicContact CD1-CE1 3.88Å; L458-Y545 HydrophobicContact CD2-CD1 3.84Å; L458-Y545 HydrophobicContact CG-CD1 3.71Å; L458-Y545 HydrophobicContact CG-CE1 4.02Å; D461-Y545 HydrophobicContact CB-CE1 4.03Å; D461-Y545 WeakPolarHBondContact CB-OH 3.46Å; F462-Y545 AromaticContact CE2-CD1 3.98Å; F462-Y545 HydrophobicContact CE2-CD1 3.98Å; F462-Y545 HydrophobicContact CE2-CD2 4.46Å; F462-Y545 AromaticContact CE2-CE1 3.82Å; F462-Y545 HydrophobicContact CE2-CE1 3.82Å; F462-Y545 HydrophobicContact CE2-CE2 4.33Å; F462-Y545 HydrophobicContact CE2-CG 4.31Å; F462-Y545 HydrophobicContact CZ-CD1 4.22Å; F462-Y545 AromaticContact CZ-CD2 3.93Å; F462-Y545 HydrophobicContact CZ-CD2 3.93Å; F462-Y545 HydrophobicContact CZ-CE1 4.24Å; F462-Y545 AromaticContact CZ-CE2 3.97Å; F462-Y545 HydrophobicContact CZ-CE2 3.97Å; F462-Y545 HydrophobicContact CZ-CG 4.08Å; P516-Y545 HydrophobicContact CB-CD2 4.04Å; P516-Y545 HydrophobicContact CB-CE2 3.58Å; V517-Y545 PolarHBondContact O-N 3.1Å; I518-Y545 CarbonylContact C-O 3.43Å; I518-Y545 WeakPolarHBondContact CA-O 3.37Å; V519-Y545 PolarHBondContact N-O 2.79Å; Q543-Y545 HydrophobicContact CB-CE2 3.93Å; Q543-Y545 WeakPolarHBondContact O-CD2 3.34Å; Q543-Y545 WeakPolarHBondContact O-CE2 3.31Å; Y545-H561 HydrophobicContact CD1-CB 4.17Å; Y545-H561 HydrophobicContact CE1-CB 4.44Å; Y545-H561 AromaticContact CE1-CD2 3.75Å; Y545-H561 AromaticContact CZ-CD2 3.86Å
546V98.3Very high95.7Very high0 Ų045.8 Ų45.80%026%0.259CS..EExtended strand (participates in β ladder)trans-103.4110.7-169.7-165.30000109.9V519 A521 I534 L544 A548 F554 M560 H561 I562 I563V519-V546 HydrophobicContact CB-CG1 4.26Å; V519-V546 HydrophobicContact CB-CG2 4.47Å; A521-V546 HydrophobicContact CB-CG1 3.89Å; I534-V546 HydrophobicContact CD1-CG1 4.28Å; I534-V546 HydrophobicContact CD1-CG2 4.46Å; L544-V546 HydrophobicContact CB-CG2 4.21Å; V546-A548 HydrophobicContact CG1-CB 3.92Å; V546-A548 PolarHBondContact O-N 3.23Å; V546-F554 HydrophobicContact CG1-CD2 4.48Å; V546-F554 HydrophobicContact CG1-CE1 4.45Å; V546-F554 HydrophobicContact CG1-CE2 4.23Å; V546-F554 HydrophobicContact CG1-CZ 4.22Å; V546-M560 HydrophobicContact CG2-CG 4.32Å; V546-H561 PolarHBondContact N-O 3.43Å; V546-I562 HydrophobicContact CB-CD1 3.76Å; V546-I562 HydrophobicContact CG2-CD1 3.96Å; V546-I563 PolarHBondContact O-N 3.18Å
547F98.5Very high95.8Very high0 Ų045 Ų450%026%0.259CS..EExtended strand (participates in β ladder)trans-80.997.1166-63.9-90.6000107.1I455 L458 I518 V519 A521 I563 M565 Y577 P580 L581 L584I455-F547 HydrophobicContact CD1-CE1 4.33Å; I455-F547 HydrophobicContact CG1-CE1 4.29Å; L458-F547 HydrophobicContact CD2-CZ 4.1Å; I518-F547 HydrophobicContact CG2-CD2 3.93Å; I518-F547 HydrophobicContact CG2-CE2 3.7Å; V519-F547 PolarHBondContact O-N 2.88Å; A521-F547 PolarHBondContact N-O 2.83Å; F547-I563 HydrophobicContact CD1-CB 3.74Å; F547-I563 HydrophobicContact CD1-CD1 4.37Å; F547-I563 HydrophobicContact CD1-CG1 4.19Å; F547-I563 HydrophobicContact CD1-CG2 3.75Å; F547-I563 HydrophobicContact CE1-CB 4Å; F547-I563 HydrophobicContact CE1-CD1 4.18Å; F547-I563 HydrophobicContact CE1-CG1 3.97Å; F547-I563 HydrophobicContact CE1-CG2 3.91Å; F547-I563 HydrophobicContact CE2-CD1 4.36Å; F547-I563 HydrophobicContact CG-CB 4.37Å; F547-I563 HydrophobicContact CZ-CD1 4.19Å; F547-I563 HydrophobicContact CZ-CG1 4.4Å; F547-M565 HydrophobicContact CB-CG 4.22Å; F547-M565 HydrophobicContact CB-SD 4.23Å; F547-M565 HydrophobicContact CD1-SD 4.02Å; F547-Y577 HydrophobicContact CB-CD1 4.41Å; F547-Y577 HydrophobicContact CB-CE1 4.5Å; F547-Y577 WeakPolarHBondContact O-CE1 3.4Å; F547-P580 HydrophobicContact CD1-CB 3.6Å; F547-P580 HydrophobicContact CD1-CG 4.05Å; F547-P580 HydrophobicContact CE1-CB 3.59Å; F547-P580 HydrophobicContact CE1-CG 4.45Å; F547-P580 HydrophobicContact CG-CB 4.49Å; F547-P580 HydrophobicContact CZ-CB 4.47Å; F547-L581 HydrophobicContact CD2-CD2 3.86Å; F547-L581 HydrophobicContact CE2-CD2 3.76Å; F547-L581 HydrophobicContact CZ-CD2 4.35Å; F547-L584 HydrophobicContact CE2-CD2 4.3Å; F547-L584 HydrophobicContact CZ-CD2 4.28Å
548A98Very high95.7Very high1 Ų152.6 Ų52.61%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-122.6143.5-171.200000111.5A521 V546 Q550 A552 F554 I562 I563 M565A521-A548 HydrophobicContact CB-CB 4.13Å; A521-A548 WeakPolarHBondContact O-CA 3.39Å; V546-A548 HydrophobicContact CG1-CB 3.92Å; V546-A548 PolarHBondContact O-N 3.23Å; A548-Q550 PolarHBondContact O-N 2.82Å; A548-A552 HydrophobicContact CB-CB 4.3Å; A548-F554 HydrophobicContact CB-CD2 3.45Å; A548-F554 VanDerWaalsContact CB-CD2 3.45Å; A548-F554 HydrophobicContact CB-CE2 3.81Å; A548-F554 HydrophobicContact CB-CG 4.36Å; A548-I562 HydrophobicContact CB-CG2 4.49Å; A548-I563 PolarHBondContact N-O 3.12Å; A548-M565 WeakPolarHBondContact O-CB 3.34Å; A548-M565 WeakPolarHBondContact O-CG 3.33Å; A548-M565 PolarHBondContact O-N 3.43Å
549D98Very high95.7Very high6 Ų650.4 Ų50.43%0.03229%0.294CS..EExtended strand (participates in β ladder)trans-51.6137167.1-169.5-60.4000110.2A521 N523 D551 A552 H567 Y577A521-D549 PolarHBondContact O-N 3.02Å; N523-D549 HydrophobicContact CB-CB 3.73Å; D549-D551 PolarHBondContact O-N 3.35Å; D549-D551 WeakPolarHBondContact OD1-CB 3.46Å; D549-D551 PolarHBondContact OD1-N 3.27Å; D549-A552 HydrophobicContact CB-CB 4.21Å; D549-A552 WeakPolarHBondContact O-CB 3.35Å; D549-A552 PolarHBondContact O-N 2.94Å; D549-H567 IonicContact OD1-ND1 2.8Å; D549-H567 WeakPolarHBondContact OD2-CA 3.33Å; D549-H567 IonicContact OD2-CE1 2.77Å; D549-H567 IonicContact OD2-CG 2.74Å; D549-H567 IonicContact OD2-ND1 2.79Å; D549-H567 PolarHBondContact OD2-ND1 3.31Å; D549-Y577 PolarHBondContact N-OH 3.24Å; D549-Y577 VanDerWaalsContact N-OH 3.13Å
550Q95.2Very high95.8Very high111 Ų11147 Ų4752%0.51926%0.264SS..THydrogen-bonded Turntrans-51.3-30.2177.365-177.420.400113.3A548 M565A548-Q550 PolarHBondContact O-N 2.82Å; Q550-M565 PolarHBondContact N-O 2.85Å
551D95.6Very high95.9Very high102 Ų10241.6 Ų41.655%0.54525%0.246SC..THydrogen-bonded Turntrans-94.92.1-178.1-62.2-43.9000112.9D549 G553D549-D551 PolarHBondContact O-N 3.35Å; D549-D551 WeakPolarHBondContact OD1-CB 3.46Å; D549-D551 PolarHBondContact OD1-N 3.27Å; D551-G553 PolarHBondContact O-N 3.41Å
552A96.1Very high96.1Very high2 Ų241.1 Ų41.12%0.01724%0.237CC..SBendtrans-70.3-13.9179.500000113.7L527 K531 A548 D549 F554L527-A552 HydrophobicContact CD1-CB 4.03Å; L527-A552 HydrophobicContact CD2-CB 3.8Å; K531-A552 WeakPolarHBondContact CE-O 3.48Å; K531-A552 PolarHBondContact NZ-O 2.95Å; A548-A552 HydrophobicContact CB-CB 4.3Å; D549-A552 HydrophobicContact CB-CB 4.21Å; D549-A552 WeakPolarHBondContact O-CB 3.35Å; D549-A552 PolarHBondContact O-N 2.94Å; A552-F554 HydrophobicContact CB-CD2 3.69Å; A552-F554 HydrophobicContact CB-CE2 3.83Å
553G94.8Very high96.1Very high59 Ų5941.2 Ų41.261%0.60824%0.238SC*.  trans72.230.6175.200000114.5D551D551-G553 PolarHBondContact O-N 3.41Å
554F94.7Very high96.1Very high37 Ų3744 Ų4416%0.16225%0.251CS..  trans-78.5149.4169.3-72.7-81.8000111.4A521 L527 K531 I534 V546 A548 A552 M560 I562A521-F554 HydrophobicContact CB-CE2 3.92Å; A521-F554 HydrophobicContact CB-CZ 4.27Å; L527-F554 HydrophobicContact CD1-CE2 3.79Å; L527-F554 HydrophobicContact CD1-CZ 4.14Å; K531-F554 HydrophobicContact CD-CZ 4.48Å; K531-F554 HydrophobicContact CG-CE1 3.78Å; K531-F554 HydrophobicContact CG-CZ 3.62Å; I534-F554 HydrophobicContact CD1-CE1 3.54Å; I534-F554 HydrophobicContact CD1-CZ 3.57Å; V546-F554 HydrophobicContact CG1-CD2 4.48Å; V546-F554 HydrophobicContact CG1-CE1 4.45Å; V546-F554 HydrophobicContact CG1-CE2 4.23Å; V546-F554 HydrophobicContact CG1-CZ 4.22Å; A548-F554 HydrophobicContact CB-CD2 3.45Å; A548-F554 VanDerWaalsContact CB-CD2 3.45Å; A548-F554 HydrophobicContact CB-CE2 3.81Å; A548-F554 HydrophobicContact CB-CG 4.36Å; A552-F554 HydrophobicContact CB-CD2 3.69Å; A552-F554 HydrophobicContact CB-CE2 3.83Å; F554-M560 HydrophobicContact CD1-CE 4.4Å; F554-M560 HydrophobicContact CD1-SD 4.4Å; F554-I562 HydrophobicContact CB-CD1 3.63Å; F554-I562 HydrophobicContact CB-CG1 4Å; F554-I562 HydrophobicContact CB-CG2 4.3Å; F554-I562 HydrophobicContact CD1-CD1 4.37Å; F554-I562 HydrophobicContact CG-CD1 4.16Å
555V94.8Very high96.1Very high109 Ų10944 Ų4466%0.66125%0.251SS*.  trans-126121-179.41800000109.3M560V555-M560 WeakPolarHBondContact O-CE 3.47Å
556S94.8Very high96Very high75 Ų7544.2 Ų44.252%0.52425%0.253SS..  trans-60.7145.1180-62.60000112.3M560 I562S556-M560 VanDerWaalsContact CA-O 3.31Å; S556-M560 WeakPolarHBondContact CA-O 3.48Å; S556-I562 WeakPolarHBondContact OG-CB 3.16Å; S556-I562 WeakPolarHBondContact OG-CG1 3.44Å
557S94Very high95.9Very high37 Ų3748.7 Ų48.726%0.25927%0.274SS..BIsolated β-bridgetrans-150.6176.3173.169.80000110.5R538 N559 M560R538-S557 PolarHBondContact NH2-OG 3.47Å; S557-N559 PolarHBondContact O-N 3.37Å; S557-N559 VanDerWaalsContact O-N 3.07Å; S557-N559 PolarHBondContact OG-OD1 2.8Å; S557-M560 PolarHBondContact N-O 2.92Å; S557-M560 CarbonylContact O-C 3.52Å; S557-M560 PolarHBondContact O-N 3.25Å; S557-M560 VanDerWaalsContact O-O 3.07Å
558D91.4Very high95.8Very high160 Ų16049 Ų4986%0.85628%0.275SS*.THydrogen-bonded Turntrans-52.4-34.9-175-60.4-11.8000114.3
559N94.3Very high95.8Very high34 Ų3450.7 Ų50.718%0.18228%0.283CS..THydrogen-bonded Turntrans-111.415.4177.772.2-21.7000114.2R538 L544 S557R538-N559 VanDerWaalsContact CG-ND2 3.33Å; R538-N559 WeakPolarHBondContact CG-ND2 3.49Å; R538-N559 PolarHBondContact NE-OD1 3.39Å; R538-N559 VanDerWaalsContact NE-OD1 3.1Å; L544-N559 PolarHBondContact N-O 2.9Å; S557-N559 PolarHBondContact O-N 3.37Å; S557-N559 VanDerWaalsContact O-N 3.07Å; S557-N559 PolarHBondContact OG-OD1 2.8Å
560M96.2Very high95.8Very high10 Ų1055.5 Ų55.55%0.04931%0.306CS..EExtended strand (participates in β ladder)trans-140.898.8179.5-170.1166.276.200110.4I534 L544 V546 F554 V555 S556 S557 I562I534-M560 HydrophobicContact CG2-SD 4.19Å; L544-M560 HydrophobicContact CB-CB 4.35Å; L544-M560 HydrophobicContact CB-CG 4.08Å; V546-M560 HydrophobicContact CG2-CG 4.32Å; F554-M560 HydrophobicContact CD1-CE 4.4Å; F554-M560 HydrophobicContact CD1-SD 4.4Å; V555-M560 WeakPolarHBondContact O-CE 3.47Å; S556-M560 VanDerWaalsContact CA-O 3.31Å; S556-M560 WeakPolarHBondContact CA-O 3.48Å; S557-M560 PolarHBondContact N-O 2.92Å; S557-M560 CarbonylContact O-C 3.52Å; S557-M560 PolarHBondContact O-N 3.25Å; S557-M560 VanDerWaalsContact O-O 3.07Å; M560-I562 HydrophobicContact CE-CD1 4.27Å; M560-I562 HydrophobicContact CG-CD1 3.71Å; M560-I562 HydrophobicContact SD-CD1 4.26Å
561H97.1Very high95.9Very high53 Ų5351.5 Ų51.525%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-92.3117.7179.1-50-76.7000109.3L458 L544 Y545 V546L458-H561 HydrophobicContact CD1-CB 4.16Å; L544-H561 PolarHBondContact O-CD2 3.24Å; L544-H561 PolarHBondContact O-N 3.05Å; Y545-H561 HydrophobicContact CD1-CB 4.17Å; Y545-H561 HydrophobicContact CE1-CB 4.44Å; Y545-H561 AromaticContact CE1-CD2 3.75Å; Y545-H561 AromaticContact CZ-CD2 3.86Å; V546-H561 PolarHBondContact N-O 3.43Å
562I97Very high96.1Very high15 Ų1546.7 Ų46.78%0.07726%0.263CS..EExtended strand (participates in β ladder)trans-101.7129.8-179.1-51.8-57000110R454 V546 A548 F554 S556 M560 E564R454-I562 PolarHBondContact NH2-O 3.25Å; V546-I562 HydrophobicContact CB-CD1 3.76Å; V546-I562 HydrophobicContact CG2-CD1 3.96Å; A548-I562 HydrophobicContact CB-CG2 4.49Å; F554-I562 HydrophobicContact CB-CD1 3.63Å; F554-I562 HydrophobicContact CB-CG1 4Å; F554-I562 HydrophobicContact CB-CG2 4.3Å; F554-I562 HydrophobicContact CD1-CD1 4.37Å; F554-I562 HydrophobicContact CG-CD1 4.16Å; S556-I562 WeakPolarHBondContact OG-CB 3.16Å; S556-I562 WeakPolarHBondContact OG-CG1 3.44Å; M560-I562 HydrophobicContact CE-CD1 4.27Å; M560-I562 HydrophobicContact CG-CD1 3.71Å; M560-I562 HydrophobicContact SD-CD1 4.26Å; I562-E564 HydrophobicContact CG2-CG 4.28Å
563I96.8Very high96.2Very high2 Ų246.7 Ų46.71%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-108.6105.5169.8-56.687.8000105.7L458 V546 F547 A548 M565L458-I563 HydrophobicContact CD1-CD1 4.19Å; L458-I563 HydrophobicContact CD2-CD1 3.5Å; L458-I563 HydrophobicContact CD2-CG1 3.89Å; L458-I563 HydrophobicContact CG-CD1 4.47Å; V546-I563 PolarHBondContact O-N 3.18Å; F547-I563 HydrophobicContact CD1-CB 3.74Å; F547-I563 HydrophobicContact CD1-CD1 4.37Å; F547-I563 HydrophobicContact CD1-CG1 4.19Å; F547-I563 HydrophobicContact CD1-CG2 3.75Å; F547-I563 HydrophobicContact CE1-CB 4Å; F547-I563 HydrophobicContact CE1-CD1 4.18Å; F547-I563 HydrophobicContact CE1-CG1 3.97Å; F547-I563 HydrophobicContact CE1-CG2 3.91Å; F547-I563 HydrophobicContact CE2-CD1 4.36Å; F547-I563 HydrophobicContact CG-CB 4.37Å; F547-I563 HydrophobicContact CZ-CD1 4.19Å; F547-I563 HydrophobicContact CZ-CG1 4.4Å; A548-I563 PolarHBondContact N-O 3.12Å; I563-M565 HydrophobicContact CG2-SD 4.36Å; I563-M565 PolarHBondContact O-N 2.94Å
564E96.9Very high96.4Very high103 Ų10343.9 Ų43.948%0.48123%0.234SC..EExtended strand (participates in β ladder)trans-73122.5-179.1-66.4164140.700109.7R454 I562R454-E564 IonicContact CZ-OE2 3.75Å; R454-E564 IonicContact NH1-OE2 2.95Å; R454-E564 PolarHBondContact NH1-OE2 3.31Å; R454-E564 IonicContact NH2-OE2 3.55Å; I562-E564 HydrophobicContact CG2-CG 4.28Å
565M97.3Very high96.6Very high2 Ų242.1 Ų42.11%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-103.4135.9-178.5-57.9-71-77.300108.5M448 F547 A548 Q550 I563 F576 Y577 P580M448-M565 HydrophobicContact CE-CB 4.5Å; M448-M565 HydrophobicContact CE-CE 3.03Å; M448-M565 HydrophobicContact CE-SD 3.5Å; M448-M565 VanDerWaalsContact CE-SD 3.5Å; M448-M565 HydrophobicContact SD-CE 3.65Å; M448-M565 HydrophobicContact SD-SD 3.9Å; F547-M565 HydrophobicContact CB-CG 4.22Å; F547-M565 HydrophobicContact CB-SD 4.23Å; F547-M565 HydrophobicContact CD1-SD 4.02Å; A548-M565 WeakPolarHBondContact O-CB 3.34Å; A548-M565 WeakPolarHBondContact O-CG 3.33Å; A548-M565 PolarHBondContact O-N 3.43Å; Q550-M565 PolarHBondContact N-O 2.85Å; I563-M565 HydrophobicContact CG2-SD 4.36Å; I563-M565 PolarHBondContact O-N 2.94Å; M565-F576 HydrophobicContact CB-CE1 4.32Å; M565-F576 HydrophobicContact CE-CD1 4.25Å; M565-F576 HydrophobicContact CE-CE1 3.85Å; M565-Y577 HydrophobicContact CB-CE1 4.18Å; M565-Y577 HydrophobicContact CE-CD1 3.82Å; M565-Y577 HydrophobicContact CE-CE1 3.88Å; M565-Y577 HydrophobicContact CE-CG 4.32Å; M565-Y577 HydrophobicContact CG-CE1 3.79Å; M565-P580 HydrophobicContact CE-CB 4.22Å; M565-P580 HydrophobicContact CE-CG 3.56Å; M565-P580 HydrophobicContact SD-CB 4.48Å; M565-P580 HydrophobicContact SD-CG 4.38Å
566P95.9Very high96.8Very high11 Ų1136.9 Ų36.97%0.07120%0.195CC..PPolyproline II helixtrans-54.5143.8168.8-23.230.9000111.3Q447 V568 F576Q447-P566 HydrophobicContact CG-CG 3.97Å; P566-V568 PolarHBondContact O-N 2.83Å; P566-F576 HydrophobicContact CB-CZ 4.15Å; P566-F576 HydrophobicContact CG-CZ 4.23Å; P566-F576 WeakPolarHBondContact O-CE1 3.25Å
567H96Very high97Very high93 Ų9333.3 Ų33.343%0.43117%0.17SC..PPolyproline II helixtrans-60.6138.7171.1-171.364.9000110.5D549D549-H567 IonicContact OD1-ND1 2.8Å; D549-H567 WeakPolarHBondContact OD2-CA 3.33Å; D549-H567 IonicContact OD2-CE1 2.77Å; D549-H567 IonicContact OD2-CG 2.74Å; D549-H567 IonicContact OD2-ND1 2.79Å; D549-H567 PolarHBondContact OD2-ND1 3.31Å
568V97.8Very high97.2Very high6 Ų631.7 Ų31.74%0.03616%0.158CC..  trans-137.6151.4-177.169.20000110R444 P566 E570 I572 A573 F576 Y577R444-V568 HydrophobicContact CB-CG2 4.3Å; R444-V568 HydrophobicContact CG-CG2 4Å; P566-V568 PolarHBondContact O-N 2.83Å; V568-E570 PolarHBondContact O-N 3.1Å; V568-I572 HydrophobicContact CG2-CD1 3.63Å; V568-I572 HydrophobicContact CG2-CG1 3.92Å; V568-A573 HydrophobicContact CG1-CB 3.89Å; V568-F576 HydrophobicContact CB-CD1 4.07Å; V568-F576 HydrophobicContact CB-CD2 4.45Å; V568-F576 HydrophobicContact CB-CE1 4.21Å; V568-F576 HydrophobicContact CB-CG 4.15Å; V568-F576 HydrophobicContact CB-CZ 4.45Å; V568-F576 HydrophobicContact CG1-CB 4.27Å; V568-F576 HydrophobicContact CG1-CD1 3.68Å; V568-F576 HydrophobicContact CG1-CE1 4.09Å; V568-F576 HydrophobicContact CG1-CG 4.05Å; V568-F576 HydrophobicContact CG2-CB 4.08Å; V568-F576 HydrophobicContact CG2-CD1 4.41Å; V568-F576 HydrophobicContact CG2-CD2 4.13Å; V568-F576 HydrophobicContact CG2-CG 3.99Å; V568-Y577 HydrophobicContact CG1-CE2 4.15Å
569E97.8Very high97.6Very high37 Ų3724 Ų2417%0.17312%0.117CC..  trans-55.7126.7173.4-62.276.2-171.600110.2H436 R444 V571 I572 A573H436-E569 IonicContact CE1-OE1 3.98Å; R444-E569 IonicContact CZ-OE1 3.77Å; R444-E569 IonicContact CZ-OE2 3.68Å; R444-E569 IonicContact NE-OE1 3.82Å; R444-E569 PolarHBondContact NE-OE1 3.35Å; R444-E569 IonicContact NE-OE2 3.02Å; R444-E569 PolarHBondContact NE-OE2 3.11Å; R444-E569 IonicContact NH2-OE1 3.3Å; R444-E569 PolarHBondContact NH2-OE1 3.2Å; R444-E569 IonicContact NH2-OE2 3.44Å; E569-V571 VanDerWaalsContact C-N 3.26Å; E569-V571 PolarHBondContact O-N 3.37Å; E569-V571 VanDerWaalsContact O-N 3.17Å; E569-I572 HydrophobicContact CB-CD1 4.28Å; E569-I572 HydrophobicContact CB-CG1 3.89Å; E569-I572 VanDerWaalsContact O-CG1 3.22Å; E569-I572 WeakPolarHBondContact O-CG1 3.42Å; E569-I572 PolarHBondContact O-N 3.21Å; E569-I572 VanDerWaalsContact O-N 3.1Å; E569-A573 PolarHBondContact O-N 3.11Å
570E97.4Very high97.8Very high108 Ų10822.4 Ų22.451%0.50511%0.109SC..G310 helixtrans-56.6-39.8-170-174.1171.3-172.600112.8N524 V568 I572 A573N524-E570 HydrophobicContact CB-CG 4.45Å; N524-E570 WeakPolarHBondContact CB-OE1 3.29Å; V568-E570 PolarHBondContact O-N 3.1Å; E570-I572 PolarHBondContact O-N 3.16Å; E570-I572 VanDerWaalsContact O-N 3.14Å; E570-A573 VanDerWaalsContact O-CB 3.27Å; E570-A573 WeakPolarHBondContact O-CB 3.39Å; E570-A573 PolarHBondContact O-N 2.79Å
571V98.3Very high97.9Very high27 Ų2722.1 Ų22.116%0.16411%0.107CC..G310 helixtrans-60.9-25.2-177.9740000114.1L318 L414 I434 E569L318-V571 HydrophobicContact CD1-CG2 3.94Å; L414-V571 HydrophobicContact CD1-CG2 4Å; L414-V571 HydrophobicContact CD2-CG2 4.13Å; I434-V571 HydrophobicContact CG1-CG2 3.84Å; E569-V571 VanDerWaalsContact C-N 3.26Å; E569-V571 PolarHBondContact O-N 3.37Å; E569-V571 VanDerWaalsContact O-N 3.17Å
572I98.7Very high98Very high0 Ų019.7 Ų19.70%010%0.096CC..G310 helixtrans-109.51.3176.954.5155.4000113L414 G437 L438 L441 R444 V568 E569 E570 P574 I575 F576L414-I572 HydrophobicContact CD2-CG2 3.91Å; G437-I572 WeakPolarHBondContact O-CD1 3.29Å; L438-I572 HydrophobicContact CD2-CG2 4.26Å; L441-I572 HydrophobicContact CB-CD1 3.95Å; L441-I572 HydrophobicContact CD1-CB 4.13Å; L441-I572 HydrophobicContact CD1-CD1 3.79Å; L441-I572 HydrophobicContact CD2-CG2 4.32Å; L441-I572 HydrophobicContact CG-CD1 4.44Å; R444-I572 HydrophobicContact CG-CD1 4.34Å; V568-I572 HydrophobicContact CG2-CD1 3.63Å; V568-I572 HydrophobicContact CG2-CG1 3.92Å; E569-I572 HydrophobicContact CB-CD1 4.28Å; E569-I572 HydrophobicContact CB-CG1 3.89Å; E569-I572 VanDerWaalsContact O-CG1 3.22Å; E569-I572 WeakPolarHBondContact O-CG1 3.42Å; E569-I572 PolarHBondContact O-N 3.21Å; E569-I572 VanDerWaalsContact O-N 3.1Å; E570-I572 PolarHBondContact O-N 3.16Å; E570-I572 VanDerWaalsContact O-N 3.14Å; I572-P574 VanDerWaalsContact C-CD 3.45Å; I572-P574 VanDerWaalsContact C-N 3.32Å; I572-I575 HydrophobicContact CG2-CD1 4.48Å; I572-I575 PolarHBondContact O-N 3.38Å; I572-F576 PolarHBondContact O-N 2.92Å; I572-F576 VanDerWaalsContact O-N 3.09Å
573A98.7Very high98.1Very high2 Ų219 Ų192%0.0179%0.092CC..Hα-helixtrans-53.4-42.4-179.800000112.6P522 V568 E569 E570 I575 F576 Y577P522-A573 HydrophobicContact CB-CB 4.39Å; V568-A573 HydrophobicContact CG1-CB 3.89Å; E569-A573 PolarHBondContact O-N 3.11Å; E570-A573 VanDerWaalsContact O-CB 3.27Å; E570-A573 WeakPolarHBondContact O-CB 3.39Å; E570-A573 PolarHBondContact O-N 2.79Å; A573-I575 VanDerWaalsContact C-N 3.26Å; A573-I575 PolarHBondContact O-N 3.05Å; A573-F576 PolarHBondContact O-N 2.79Å; A573-F576 VanDerWaalsContact O-N 3.15Å; A573-Y577 HydrophobicContact CB-CD2 4.21Å; A573-Y577 HydrophobicContact CB-CE2 4.38Å; A573-Y577 VanDerWaalsContact O-CD2 3.29Å; A573-Y577 WeakPolarHBondContact O-CD2 3.34Å; A573-Y577 PolarHBondContact O-N 3.18Å
574P98.8Very high98.2Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-56.6-39.1177.1-26.936000113.6V310 W314 D475 I479 I572 T578V310-P574 HydrophobicContact CG1-CB 3.77Å; V310-P574 HydrophobicContact CG1-CG 4.18Å; W314-P574 HydrophobicContact CZ2-CB 4.09Å; W314-P574 HydrophobicContact CZ2-CG 3.95Å; D475-P574 HydrophobicContact CB-CG 3.88Å; D475-P574 VanDerWaalsContact CG-CG 3.42Å; D475-P574 WeakPolarHBondContact OD2-CG 3.49Å; I479-P574 HydrophobicContact CD1-CB 3.83Å; I479-P574 VanDerWaalsContact CD1-O 3.26Å; I479-P574 WeakPolarHBondContact CD1-O 3.37Å; I479-P574 HydrophobicContact CG1-CB 3.79Å; I572-P574 VanDerWaalsContact C-CD 3.45Å; I572-P574 VanDerWaalsContact C-N 3.32Å; P574-T578 PolarHBondContact O-N 3.42Å; P574-T578 PolarHBondContact O-OG1 3.29Å
575I98.9Very high98.3Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-68.7-46.5178.5-48.2177.2000109.8W314 T407 L410 L441 I445 I572 A573 T578W314-I575 HydrophobicContact CH2-CD1 4.28Å; W314-I575 HydrophobicContact CH2-CG1 4.16Å; T407-I575 HydrophobicContact CG2-CG2 3.7Å; L410-I575 HydrophobicContact CB-CD1 3.82Å; L410-I575 HydrophobicContact CB-CG1 3.73Å; L410-I575 HydrophobicContact CD1-CB 4.48Å; L410-I575 HydrophobicContact CD1-CG1 3.83Å; L410-I575 HydrophobicContact CG-CG1 4.43Å; L441-I575 HydrophobicContact CD1-CB 4.18Å; L441-I575 HydrophobicContact CD1-CG2 4.16Å; L441-I575 HydrophobicContact CD2-CB 4.34Å; L441-I575 HydrophobicContact CD2-CD1 3.68Å; L441-I575 HydrophobicContact CD2-CG2 4.05Å; I445-I575 HydrophobicContact CD1-CG2 4.41Å; I572-I575 HydrophobicContact CG2-CD1 4.48Å; I572-I575 PolarHBondContact O-N 3.38Å; A573-I575 VanDerWaalsContact C-N 3.26Å; A573-I575 PolarHBondContact O-N 3.05Å; I575-T578 WeakPolarHBondContact O-CB 3.06Å; I575-T578 PolarHBondContact O-N 3.01Å
576F98.8Very high98.3Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-61.8-46.5-179.3176.8-99.4000113R444 M448 M565 P566 V568 I572 A573 T578 V579 P580R444-F576 HydrophobicContact CB-CD2 3.9Å; R444-F576 HydrophobicContact CB-CE2 4.06Å; R444-F576 WeakPolarHBondContact O-CE2 3.47Å; M448-F576 HydrophobicContact CB-CD2 4.35Å; M448-F576 HydrophobicContact CB-CE2 3.88Å; M448-F576 HydrophobicContact CB-CZ 4.4Å; M448-F576 HydrophobicContact CE-CD1 4.23Å; M448-F576 HydrophobicContact CE-CD2 4.47Å; M448-F576 HydrophobicContact CE-CE1 3.41Å; M448-F576 VanDerWaalsContact CE-CE1 3.41Å; M448-F576 HydrophobicContact CE-CE2 3.69Å; M448-F576 HydrophobicContact CE-CZ 3.11Å; M565-F576 HydrophobicContact CB-CE1 4.32Å; M565-F576 HydrophobicContact CE-CD1 4.25Å; M565-F576 HydrophobicContact CE-CE1 3.85Å; P566-F576 HydrophobicContact CB-CZ 4.15Å; P566-F576 HydrophobicContact CG-CZ 4.23Å; P566-F576 WeakPolarHBondContact O-CE1 3.25Å; V568-F576 HydrophobicContact CB-CD1 4.07Å; V568-F576 HydrophobicContact CB-CD2 4.45Å; V568-F576 HydrophobicContact CB-CE1 4.21Å; V568-F576 HydrophobicContact CB-CG 4.15Å; V568-F576 HydrophobicContact CB-CZ 4.45Å; V568-F576 HydrophobicContact CG1-CB 4.27Å; V568-F576 HydrophobicContact CG1-CD1 3.68Å; V568-F576 HydrophobicContact CG1-CE1 4.09Å; V568-F576 HydrophobicContact CG1-CG 4.05Å; V568-F576 HydrophobicContact CG2-CB 4.08Å; V568-F576 HydrophobicContact CG2-CD1 4.41Å; V568-F576 HydrophobicContact CG2-CD2 4.13Å; V568-F576 HydrophobicContact CG2-CG 3.99Å; I572-F576 PolarHBondContact O-N 2.92Å; I572-F576 VanDerWaalsContact O-N 3.09Å; A573-F576 PolarHBondContact O-N 2.79Å; A573-F576 VanDerWaalsContact O-N 3.15Å; F576-T578 PolarHBondContact O-N 2.83Å; F576-V579 PolarHBondContact O-N 2.61Å; F576-P580 WeakPolarHBondContact O-CD 3.5Å
577Y98.8Very high98.5Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-71.8-8.7-179.9-82.3-94.7000113.7V520 P522 F547 D549 M565 V568 A573 P580V520-Y577 HydrophobicContact CB-CD1 4.19Å; V520-Y577 HydrophobicContact CG1-CD1 4.16Å; P522-Y577 WeakPolarHBondContact CA-OH 3.4Å; P522-Y577 HydrophobicContact CB-CD2 4.44Å; P522-Y577 HydrophobicContact CB-CE2 3.77Å; F547-Y577 HydrophobicContact CB-CD1 4.41Å; F547-Y577 HydrophobicContact CB-CE1 4.5Å; F547-Y577 WeakPolarHBondContact O-CE1 3.4Å; D549-Y577 PolarHBondContact N-OH 3.24Å; D549-Y577 VanDerWaalsContact N-OH 3.13Å; M565-Y577 HydrophobicContact CB-CE1 4.18Å; M565-Y577 HydrophobicContact CE-CD1 3.82Å; M565-Y577 HydrophobicContact CE-CE1 3.88Å; M565-Y577 HydrophobicContact CE-CG 4.32Å; M565-Y577 HydrophobicContact CG-CE1 3.79Å; V568-Y577 HydrophobicContact CG1-CE2 4.15Å; A573-Y577 HydrophobicContact CB-CD2 4.21Å; A573-Y577 HydrophobicContact CB-CE2 4.38Å; A573-Y577 VanDerWaalsContact O-CD2 3.29Å; A573-Y577 WeakPolarHBondContact O-CD2 3.34Å; A573-Y577 PolarHBondContact O-N 3.18Å; Y577-P580 WeakPolarHBondContact O-CD 3.46Å; Y577-P580 VanDerWaalsContact O-CG 3.23Å; Y577-P580 WeakPolarHBondContact O-CG 3.42Å
578T98.9Very high98.6Very high2 Ų29.6 Ų9.61%0.0125%0.048CC..Hα-helixtrans-72.5-40.4173.4-590000112.3F406 E482 P574 I575 F576 L581 Q582F406-T578 HydrophobicContact CD1-CG2 3.69Å; F406-T578 HydrophobicContact CE1-CG2 3.62Å; F406-T578 WeakPolarHBondContact CE1-OG1 3.43Å; E482-T578 HydrophobicContact CG-CG2 4.36Å; P574-T578 PolarHBondContact O-N 3.42Å; P574-T578 PolarHBondContact O-OG1 3.29Å; I575-T578 WeakPolarHBondContact O-CB 3.06Å; I575-T578 PolarHBondContact O-N 3.01Å; F576-T578 PolarHBondContact O-N 2.83Å; T578-L581 WeakPolarHBondContact O-CB 3.4Å; T578-L581 PolarHBondContact O-N 3.01Å; T578-L581 VanDerWaalsContact O-N 3.08Å; T578-Q582 HydrophobicContact CG2-CG 4.1Å; T578-Q582 PolarHBondContact O-N 2.61Å
579V98.8Very high98.7Very high0 Ų09.3 Ų9.30%05%0.046CC..Hα-helixtrans-56.8-47.2-174.6-177.70000113.6I445 M448 L449 F576 L581 Q582 L583I445-V579 HydrophobicContact CD1-CG2 4.42Å; I445-V579 HydrophobicContact CG1-CG2 4.15Å; I445-V579 HydrophobicContact CG2-CG1 4.49Å; I445-V579 HydrophobicContact CG2-CG2 4Å; M448-V579 HydrophobicContact CG-CB 3.86Å; M448-V579 HydrophobicContact CG-CG1 3.83Å; L449-V579 HydrophobicContact CD2-CG1 3.76Å; L449-V579 HydrophobicContact CG-CG1 4.35Å; F576-V579 PolarHBondContact O-N 2.61Å; V579-L581 VanDerWaalsContact C-N 3.25Å; V579-L581 PolarHBondContact O-N 2.8Å; V579-Q582 WeakPolarHBondContact O-CB 3.37Å; V579-Q582 PolarHBondContact O-N 3.14Å; V579-L583 HydrophobicContact CG1-CD1 4.4Å; V579-L583 WeakPolarHBondContact O-CG 3.28Å; V579-L583 PolarHBondContact O-N 2.83Å
580P98.8Very high98.7Very high0 Ų010.6 Ų10.60%05%0.054CC..Hα-helixtrans-62.9-31.717729.8-42.2000113.1M448 I455 F547 M565 F576 Y577 L583 L584M448-P580 HydrophobicContact SD-CB 4.12Å; M448-P580 HydrophobicContact SD-CG 4.34Å; I455-P580 HydrophobicContact CD1-CB 3.61Å; F547-P580 HydrophobicContact CD1-CB 3.6Å; F547-P580 HydrophobicContact CD1-CG 4.05Å; F547-P580 HydrophobicContact CE1-CB 3.59Å; F547-P580 HydrophobicContact CE1-CG 4.45Å; F547-P580 HydrophobicContact CG-CB 4.49Å; F547-P580 HydrophobicContact CZ-CB 4.47Å; M565-P580 HydrophobicContact CE-CB 4.22Å; M565-P580 HydrophobicContact CE-CG 3.56Å; M565-P580 HydrophobicContact SD-CB 4.48Å; M565-P580 HydrophobicContact SD-CG 4.38Å; F576-P580 WeakPolarHBondContact O-CD 3.5Å; Y577-P580 WeakPolarHBondContact O-CD 3.46Å; Y577-P580 VanDerWaalsContact O-CG 3.23Å; Y577-P580 WeakPolarHBondContact O-CG 3.42Å; P580-L583 PolarHBondContact O-N 2.92Å; P580-L584 WeakPolarHBondContact O-CB 3.47Å; P580-L584 PolarHBondContact O-N 3.44Å
581L98.9Very high98.7Very high4 Ų49 Ų92%0.0215%0.048CC..Hα-helixtrans-72.6-34.5178.2-55.6-173.9000111.6F470 I479 I518 V520 F547 T578 V579 L584 A585F470-L581 HydrophobicContact CD1-CD1 4.42Å; F470-L581 HydrophobicContact CE1-CD1 4.43Å; F470-L581 HydrophobicContact CE1-CD2 4.22Å; I479-L581 HydrophobicContact CG2-CD1 3.97Å; I518-L581 HydrophobicContact CG2-CD2 3.79Å; V520-L581 HydrophobicContact CG1-CD1 3.85Å; V520-L581 HydrophobicContact CG1-CD2 4.3Å; V520-L581 HydrophobicContact CG1-CG 4.31Å; F547-L581 HydrophobicContact CD2-CD2 3.86Å; F547-L581 HydrophobicContact CE2-CD2 3.76Å; F547-L581 HydrophobicContact CZ-CD2 4.35Å; T578-L581 WeakPolarHBondContact O-CB 3.4Å; T578-L581 PolarHBondContact O-N 3.01Å; T578-L581 VanDerWaalsContact O-N 3.08Å; V579-L581 VanDerWaalsContact C-N 3.25Å; V579-L581 PolarHBondContact O-N 2.8Å; L581-L584 PolarHBondContact O-N 2.86Å; L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 2.85Å
582Q98.9Very high98.7Very high1 Ų110.5 Ų10.51%0.0055%0.052CC..Hα-helixtrans-63.3-45170.8-66.5169-15.400111.1I257 T403 T578 V579 A585 Y586I257-Q582 HydrophobicContact CD1-CB 3.91Å; I257-Q582 HydrophobicContact CG1-CB 4.07Å; T403-Q582 HydrophobicContact CG2-CG 4.35Å; T403-Q582 PolarHBondContact O-NE2 2.96Å; T578-Q582 HydrophobicContact CG2-CG 4.1Å; T578-Q582 PolarHBondContact O-N 2.61Å; V579-Q582 WeakPolarHBondContact O-CB 3.37Å; V579-Q582 PolarHBondContact O-N 3.14Å; Q582-A585 PolarHBondContact O-N 2.88Å; Q582-Y586 WeakPolarHBondContact O-CB 3.47Å; Q582-Y586 PolarHBondContact O-N 2.88Å
583L98.8Very high98.6Very high1 Ų113.7 Ų13.71%0.0059%0.085CC..Hα-helixtrans-63-43.1176.4-69.9174.1000111.6I257 Y258 L449 D452 I455 V579 P580 Y586 H587I257-L583 HydrophobicContact CD1-CD2 4.5Å; I257-L583 HydrophobicContact CG2-CD2 3.66Å; I257-L583 HydrophobicContact CG2-CG 4.13Å; Y258-L583 HydrophobicContact CE2-CD2 4.15Å; L449-L583 HydrophobicContact CD2-CD1 4.34Å; D452-L583 HydrophobicContact CB-CD1 4.4Å; D452-L583 WeakPolarHBondContact OD1-CD2 3.33Å; I455-L583 HydrophobicContact CB-CB 4.48Å; I455-L583 HydrophobicContact CD1-CB 4.02Å; I455-L583 HydrophobicContact CD1-CD1 3.82Å; I455-L583 HydrophobicContact CG2-CB 3.95Å; V579-L583 HydrophobicContact CG1-CD1 4.4Å; V579-L583 WeakPolarHBondContact O-CG 3.28Å; V579-L583 PolarHBondContact O-N 2.83Å; P580-L583 PolarHBondContact O-N 2.92Å; L583-Y586 WeakPolarHBondContact O-CB 3.45Å; L583-Y586 PolarHBondContact O-N 3.01Å; L583-H587 PolarHBondContact O-CD2 2.98Å; L583-H587 PolarHBondContact O-N 2.84Å
584L98.8Very high98.5Very high1 Ų115 Ų151%0.0059%0.092CC..Hα-helixtrans-58.5-51.6175.7178.363.6000110.6I455 L458 A459 F462 I518 F547 P580 L581 Y586 H587 V588I455-L584 HydrophobicContact CG2-CB 3.95Å; I455-L584 HydrophobicContact CG2-CD1 4.48Å; L458-L584 HydrophobicContact CD2-CD1 4.48Å; A459-L584 HydrophobicContact CB-CD1 4.28Å; F462-L584 HydrophobicContact CD2-CD1 4.3Å; F462-L584 HydrophobicContact CE2-CD1 4.13Å; I518-L584 HydrophobicContact CG1-CD2 4.02Å; F547-L584 HydrophobicContact CE2-CD2 4.3Å; F547-L584 HydrophobicContact CZ-CD2 4.28Å; P580-L584 WeakPolarHBondContact O-CB 3.47Å; P580-L584 PolarHBondContact O-N 3.44Å; L581-L584 PolarHBondContact O-N 2.86Å; L584-Y586 VanDerWaalsContact C-N 3.29Å; L584-Y586 PolarHBondContact O-N 3.18Å; L584-H587 PolarHBondContact O-N 2.85Å; L584-V588 HydrophobicContact CD1-CG2 3.95Å; L584-V588 HydrophobicContact CG-CG2 4.38Å; L584-V588 WeakPolarHBondContact O-CB 3.45Å; L584-V588 VanDerWaalsContact O-CG2 3.24Å; L584-V588 WeakPolarHBondContact O-CG2 3.08Å; L584-V588 PolarHBondContact O-N 3.27Å
585A98.8Very high98.4Very high1 Ų118 Ų181%0.00811%0.109CC..Hα-helixtrans-57.9-43178.300000111.9K486 L487 I490 L581 Q582 A589K486-A585 HydrophobicContact CB-CB 3.69Å; L487-A585 HydrophobicContact CB-CB 4.4Å; L487-A585 HydrophobicContact CD1-CB 4.31Å; I490-A585 VanDerWaalsContact CD1-C 3.48Å; I490-A585 HydrophobicContact CD1-CB 3.94Å; I490-A585 WeakPolarHBondContact CD1-O 3.28Å; I490-A585 HydrophobicContact CG1-CB 4.27Å; L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 2.85Å; Q582-A585 PolarHBondContact O-N 2.88Å; A585-A589 WeakPolarHBondContact O-CB 3.39Å; A585-A589 PolarHBondContact O-N 3.42Å
586Y98.8Very high98.2Very high4 Ų418.1 Ų18.12%0.01611%0.109CC..Hα-helixtrans-59.8-52177.6172.1-107.9000112.1H251 Q254 Q582 L583 L584 A589 L590 V596H251-Y586 HydrophobicContact CB-CE2 4.08Å; H251-Y586 AromaticContact ND1-CE2 3.48Å; H251-Y586 WeakPolarHBondContact ND1-CE2 3.32Å; H251-Y586 AromaticContact ND1-CZ 3.7Å; H251-Y586 PolarHBondContact ND1-OH 3.33Å; Q254-Y586 HydrophobicContact CB-CE1 4.24Å; Q254-Y586 HydrophobicContact CB-CE2 3.84Å; Q254-Y586 VanDerWaalsContact CD-OH 3.28Å; Q254-Y586 HydrophobicContact CG-CE1 3.95Å; Q254-Y586 HydrophobicContact CG-CE2 4.46Å; Q254-Y586 PolarHBondContact OE1-OH 2.87Å; Q582-Y586 WeakPolarHBondContact O-CB 3.47Å; Q582-Y586 PolarHBondContact O-N 2.88Å; L583-Y586 WeakPolarHBondContact O-CB 3.45Å; L583-Y586 PolarHBondContact O-N 3.01Å; L584-Y586 VanDerWaalsContact C-N 3.29Å; L584-Y586 PolarHBondContact O-N 3.18Å; Y586-A589 WeakPolarHBondContact O-CB 3.42Å; Y586-A589 PolarHBondContact O-N 2.92Å; Y586-L590 HydrophobicContact CD1-CD1 4.3Å; Y586-L590 HydrophobicContact CE1-CD1 3.65Å; Y586-L590 HydrophobicContact CE1-CG 4.31Å; Y586-L590 HydrophobicContact CE2-CD1 4.45Å; Y586-L590 HydrophobicContact CE2-CD2 4.18Å; Y586-L590 HydrophobicContact CE2-CG 4.33Å; Y586-L590 WeakPolarHBondContact O-CG 3.42Å; Y586-L590 PolarHBondContact O-N 3.32Å; Y586-V596 HydrophobicContact CD2-CG1 3.78Å; Y586-V596 HydrophobicContact CE2-CG1 4.03Å
587H98.8Very high98Very high8 Ų818.7 Ų18.74%0.03711%0.112CC..Hα-helixtrans-67-38.4-178.5-72.2-58.3000112.7D452 A459 L583 L584 A589 L590 I591D452-H587 IonicContact OD1-CD2 2.68Å; D452-H587 IonicContact OD1-CE1 3.74Å; D452-H587 IonicContact OD1-NE2 3.6Å; D452-H587 PolarHBondContact OD1-NE2 3.3Å; D452-H587 IonicContact OD2-NE2 3.89Å; A459-H587 HydrophobicContact CB-CB 3.48Å; A459-H587 VanDerWaalsContact CB-CB 3.48Å; L583-H587 PolarHBondContact O-CD2 2.98Å; L583-H587 PolarHBondContact O-N 2.84Å; L584-H587 PolarHBondContact O-N 2.85Å; H587-A589 VanDerWaalsContact C-N 3.3Å; H587-A589 PolarHBondContact O-N 3.02Å; H587-L590 WeakPolarHBondContact O-CB 3.26Å; H587-L590 PolarHBondContact O-N 2.79Å; H587-I591 WeakPolarHBondContact O-CG1 3.34Å; H587-I591 PolarHBondContact O-N 2.92Å
588V98.8Very high97.6Very high0 Ų020.6 Ų20.60%012%0.121CC..Hα-helixtrans-63.5-38.7174.6178.50000110.9A459 F462 L487 I493 L584 L590 I591 K592A459-V588 HydrophobicContact CB-CG2 3.75Å; F462-V588 HydrophobicContact CB-CB 4.49Å; F462-V588 HydrophobicContact CB-CG1 3.85Å; F462-V588 HydrophobicContact CB-CG2 3.72Å; F462-V588 HydrophobicContact CD2-CG2 4.21Å; F462-V588 HydrophobicContact CG-CG2 4.02Å; L487-V588 HydrophobicContact CD1-CB 3.83Å; L487-V588 HydrophobicContact CD1-CG1 3.94Å; L487-V588 HydrophobicContact CD1-CG2 4.11Å; I493-V588 HydrophobicContact CD1-CG1 3.66Å; L584-V588 HydrophobicContact CD1-CG2 3.95Å; L584-V588 HydrophobicContact CG-CG2 4.38Å; L584-V588 WeakPolarHBondContact O-CB 3.45Å; L584-V588 VanDerWaalsContact O-CG2 3.24Å; L584-V588 WeakPolarHBondContact O-CG2 3.08Å; L584-V588 PolarHBondContact O-N 3.27Å; V588-L590 PolarHBondContact O-N 2.85Å; V588-I591 PolarHBondContact O-N 2.92Å; V588-K592 HydrophobicContact CG1-CG 4.29Å; V588-K592 VanDerWaalsContact O-CG 3.29Å; V588-K592 WeakPolarHBondContact O-CG 3.28Å; V588-K592 PolarHBondContact O-N 2.8Å
589A98.5Very high97.3Very high0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-63.4-38.9174.400000112.6I490 A585 Y586 H587 I591 K592 G593 T594 V596I490-A589 HydrophobicContact CB-CB 4.14Å; I490-A589 HydrophobicContact CD1-CB 3.94Å; I490-A589 HydrophobicContact CG1-CB 3.87Å; I490-A589 WeakPolarHBondContact O-CB 3.36Å; A585-A589 WeakPolarHBondContact O-CB 3.39Å; A585-A589 PolarHBondContact O-N 3.42Å; Y586-A589 WeakPolarHBondContact O-CB 3.42Å; Y586-A589 PolarHBondContact O-N 2.92Å; H587-A589 VanDerWaalsContact C-N 3.3Å; H587-A589 PolarHBondContact O-N 3.02Å; A589-I591 VanDerWaalsContact C-N 3.34Å; A589-I591 PolarHBondContact O-N 2.74Å; A589-K592 PolarHBondContact O-N 2.86Å; A589-G593 PolarHBondContact O-N 3.04Å; A589-T594 WeakPolarHBondContact CB-OG1 3.17Å; A589-T594 PolarHBondContact O-N 2.61Å; A589-T594 PolarHBondContact O-OG1 3.12Å; A589-V596 HydrophobicContact CB-CG2 3.9Å
590L98.3Very high96.8Very high64 Ų6427.7 Ų27.734%0.33515%0.148SC..Hα-helixtrans-59.5-45173-65.1-179.4000111.8H251 Y586 H587 V588 K592 G593 V596H251-L590 WeakPolarHBondContact CE1-CD2 3.25Å; Y586-L590 HydrophobicContact CD1-CD1 4.3Å; Y586-L590 HydrophobicContact CE1-CD1 3.65Å; Y586-L590 HydrophobicContact CE1-CG 4.31Å; Y586-L590 HydrophobicContact CE2-CD1 4.45Å; Y586-L590 HydrophobicContact CE2-CD2 4.18Å; Y586-L590 HydrophobicContact CE2-CG 4.33Å; Y586-L590 WeakPolarHBondContact O-CG 3.42Å; Y586-L590 PolarHBondContact O-N 3.32Å; H587-L590 WeakPolarHBondContact O-CB 3.26Å; H587-L590 PolarHBondContact O-N 2.79Å; V588-L590 PolarHBondContact O-N 2.85Å; L590-K592 VanDerWaalsContact C-N 3.35Å; L590-G593 PolarHBondContact O-N 2.78Å; L590-G593 VanDerWaalsContact O-N 3.16Å; L590-V596 HydrophobicContact CD2-CG2 4.32Å
591I98.1Very high96.3Very high73 Ų7333.3 Ų33.337%0.37418%0.178SC..Hα-helixtrans-64.8-40.6179.7-68.5163.7000110.9A459 E460 H587 V588 A589 G593A459-I591 HydrophobicContact CB-CD1 3.66Å; A459-I591 VanDerWaalsContact O-CD1 3.26Å; A459-I591 WeakPolarHBondContact O-CD1 3.3Å; E460-I591 HydrophobicContact CG-CD1 4.32Å; H587-I591 WeakPolarHBondContact O-CG1 3.34Å; H587-I591 PolarHBondContact O-N 2.92Å; V588-I591 PolarHBondContact O-N 2.92Å; A589-I591 VanDerWaalsContact C-N 3.34Å; A589-I591 PolarHBondContact O-N 2.74Å; I591-G593 PolarHBondContact O-N 3.41Å
592K97.5Very high95.8Very high60 Ų6035.8 Ų35.826%0.26119%0.191SC..Hα-helixtrans-72.4-14.3176.2-65.7-73-174.2-177.20113.1F462 S463 K465 V588 A589 L590 T594F462-K592 VanDerWaalsContact O-CE 3.32Å; F462-K592 WeakPolarHBondContact O-CE 3.38Å; F462-K592 PolarHBondContact O-NZ 3.26Å; S463-K592 WeakPolarHBondContact O-CE 3.43Å; S463-K592 PolarHBondContact O-NZ 3.07Å; K465-K592 PolarHBondContact O-NZ 2.96Å; V588-K592 HydrophobicContact CG1-CG 4.29Å; V588-K592 VanDerWaalsContact O-CG 3.29Å; V588-K592 WeakPolarHBondContact O-CG 3.28Å; V588-K592 PolarHBondContact O-N 2.8Å; A589-K592 PolarHBondContact O-N 2.86Å; L590-K592 VanDerWaalsContact C-N 3.35Å; K592-T594 HydrophobicContact CB-CG2 3.97Å
593G97.1Very high94.9Very high66 Ų6636.2 Ų36.268%0.6820%0.195SC*.THydrogen-bonded Turntrans68.930.6-179.900000113.9A589 L590 I591A589-G593 PolarHBondContact O-N 3.04Å; L590-G593 PolarHBondContact O-N 2.78Å; L590-G593 VanDerWaalsContact O-N 3.16Å; I591-G593 PolarHBondContact O-N 3.41Å
594T97.3Very high94.3Very high29 Ų2937.3 Ų37.318%0.17820%0.199CC..  trans-86.9162.6-179.253.70000112.2I490 Y492 A589 K592 V596I490-T594 WeakPolarHBondContact O-CB 3.47Å; I490-T594 PolarHBondContact O-OG1 3.18Å; Y492-T594 HydrophobicContact CD2-CG2 3.59Å; Y492-T594 HydrophobicContact CE2-CG2 3.38Å; A589-T594 WeakPolarHBondContact CB-OG1 3.17Å; A589-T594 PolarHBondContact O-N 2.61Å; A589-T594 PolarHBondContact O-OG1 3.12Å; K592-T594 HydrophobicContact CB-CG2 3.97Å; T594-V596 PolarHBondContact O-N 2.82Å
595D95Very high93.5Very high65 Ų6537.4 Ų37.435%0.34820%0.2SC..  trans-76.6102.1172.5-166.8-27.4000109.1K51 D597 Q598 P599K51-D595 IonicContact NZ-OD2 3.56Å; K51-D595 PolarHBondContact NZ-OD2 3.46Å; D595-D597 PolarHBondContact OD1-N 3.46Å; D595-Q598 PolarHBondContact OD1-N 3.36Å; D595-P599 WeakPolarHBondContact O-CA 3.46Å
596V96.4Very high92.9Very high1 Ų140.1 Ų40.11%0.00622%0.216CC..SBendtrans-67.5-42.5-176.6178.50000111.9H251 M253 I490 Y586 A589 L590 T594H251-V596 HydrophobicContact CB-CG1 4.49Å; M253-V596 HydrophobicContact CB-CG1 3.88Å; M253-V596 HydrophobicContact CG-CG1 4.38Å; M253-V596 HydrophobicContact SD-CG1 3.76Å; I490-V596 HydrophobicContact CD1-CG1 4.49Å; Y586-V596 HydrophobicContact CD2-CG1 3.78Å; Y586-V596 HydrophobicContact CE2-CG1 4.03Å; A589-V596 HydrophobicContact CB-CG2 3.9Å; L590-V596 HydrophobicContact CD2-CG2 4.32Å; T594-V596 PolarHBondContact O-N 2.82Å
597D93.9Very high92Very high12 Ų1240.2 Ų40.26%0.06422%0.217CC..SBendtrans-81.1-33.2-173.5-72-31.7000110.9K246 H251 Y252 M253 V400 D595K246-D597 WeakPolarHBondContact CE-OD2 3.27Å; K246-D597 IonicContact NZ-OD2 3.51Å; K246-D597 PolarHBondContact NZ-OD2 3.24Å; H251-D597 WeakPolarHBondContact CA-OD2 3.47Å; H251-D597 IonicContact CD2-OD2 3.77Å; Y252-D597 WeakPolarHBondContact CA-OD1 3.46Å; Y252-D597 WeakPolarHBondContact CB-OD1 3.2Å; Y252-D597 VanDerWaalsContact N-CG 3.33Å; Y252-D597 PolarHBondContact N-OD1 3.06Å; Y252-D597 PolarHBondContact N-OD2 2.82Å; M253-D597 PolarHBondContact N-OD1 3.13Å; V400-D597 WeakPolarHBondContact CG2-O 3.39Å; V400-D597 PolarHBondContact N-O 2.91Å; D595-D597 PolarHBondContact OD1-N 3.46Å
598Q91.2Very high91.1Very high40 Ų4040 Ų4019%0.18722%0.216CC..SBendtrans-132.567.6-176.6-70.2175-36.200111.6E25 Y29 D595E25-Q598 PolarHBondContact OE2-NE2 3Å; Y29-Q598 HydrophobicContact CD1-CB 4.48Å; Y29-Q598 HydrophobicContact CD1-CG 4.2Å; Y29-Q598 HydrophobicContact CE1-CB 3.98Å; Y29-Q598 HydrophobicContact CE1-CG 3.94Å; Y29-Q598 HydrophobicContact CE2-CB 4.17Å; Y29-Q598 VanDerWaalsContact OH-C 3.3Å; D595-Q598 PolarHBondContact OD1-N 3.36Å
599P92.3Very high90Very high0 Ų045.2 Ų45.20%024%0.241CC..  trans-57.8148-179.623.1-33000112.3Y29 V400 E489 I490 Y492 D595 L602Y29-P599 PolarHBondContact OH-O 3.05Å; V400-P599 HydrophobicContact CB-CG 3.96Å; V400-P599 HydrophobicContact CG1-CG 3.92Å; E489-P599 WeakPolarHBondContact O-CB 3.48Å; I490-P599 HydrophobicContact CG2-CG 4.43Å; Y492-P599 HydrophobicContact CE1-CB 4.14Å; Y492-P599 WeakPolarHBondContact OH-CA 3.44Å; D595-P599 WeakPolarHBondContact O-CA 3.46Å; P599-L602 HydrophobicContact CB-CD1 4.18Å; P599-L602 HydrophobicContact CG-CB 4.22Å; P599-L602 HydrophobicContact CG-CD1 3.82Å; P599-L602 HydrophobicContact CG-CG 4.45Å; P599-L602 PolarHBondContact O-N 2.72Å
600R88.7Confident89.6Confident151 Ų15147.5 Ų47.557%0.5725%0.253SS*.THydrogen-bonded Turntrans-57.3146.3-179.970.8-174.7175.6173.7-0.5112Y492 L602Y492-R600 HydrophobicContact CE1-CG 3.9Å; Y492-R600 HydrophobicContact CE2-CG 4.09Å; Y492-R600 PolarHBondContact OH-N 3.42Å; Y492-R600 VanDerWaalsContact OH-N 3.07Å; R600-L602 PolarHBondContact O-N 2.76Å
601N87.4Confident89.1Confident118 Ų11846.6 Ų46.663%0.63125%0.249SC*.THydrogen-bonded Turntrans64.9-3.5175.6-46.5127.8000116.3W75W75-N601 PolarHBondContact NE1-O 2.91Å; W75-N601 VanDerWaalsContact NE1-O 3.13Å
602L88.1Confident88.6Confident57 Ų5745.2 Ų45.230%0.29824%0.242SC..  trans-104.1174178.4-57.9-178.7000110.7Y29 V400 E489 P599 R600Y29-L602 PolarHBondContact OH-O 3.07Å; V400-L602 HydrophobicContact CG1-CB 3.95Å; V400-L602 HydrophobicContact CG1-CD1 4.49Å; E489-L602 HydrophobicContact CB-CD1 4.1Å; E489-L602 HydrophobicContact CG-CD1 3.9Å; P599-L602 HydrophobicContact CB-CD1 4.18Å; P599-L602 HydrophobicContact CG-CB 4.22Å; P599-L602 HydrophobicContact CG-CD1 3.82Å; P599-L602 HydrophobicContact CG-CG 4.45Å; P599-L602 PolarHBondContact O-N 2.72Å; R600-L602 PolarHBondContact O-N 2.76Å
603A80.6Confident88.1Confident10 Ų1044.3 Ų44.38%0.08324%0.241CC..  trans-154.9167.7161.500000108.4M1 Y29 W75 S605M1-A603 HydrophobicContact CE-CB 3.13Å; M1-A603 VanDerWaalsContact CE-O 3.29Å; M1-A603 WeakPolarHBondContact CE-O 3.34Å; M1-A603 HydrophobicContact SD-CB 4.12Å; Y29-A603 HydrophobicContact CE1-CB 4.28Å; W75-A603 HydrophobicContact CG-CB 4.44Å; A603-S605 PolarHBondContact O-N 3.08Å
604K86.6Confident87.5Confident23 Ų2342.9 Ų42.910%0.121%0.213CC..SBendtrans-65.8-34.3-167179.562.7-175176.30113.8Y26 E397 G399 V400Y26-K604 HydrophobicContact CD2-CB 4.22Å; Y26-K604 HydrophobicContact CD2-CG 4.32Å; Y26-K604 VanDerWaalsContact O-CB 3.22Å; Y26-K604 WeakPolarHBondContact O-CB 3.34Å; Y26-K604 PolarHBondContact O-N 2.97Å; E397-K604 WeakPolarHBondContact O-CE 3.17Å; E397-K604 IonicContact OE2-NZ 3.95Å; E397-K604 PolarHBondContact OE2-NZ 3.12Å; G399-K604 VanDerWaalsContact O-CD 3.27Å; G399-K604 WeakPolarHBondContact O-CD 3.29Å; G399-K604 WeakPolarHBondContact O-CE 3.49Å; G399-K604 PolarHBondContact O-NZ 2.9Å; V400-K604 HydrophobicContact CG2-CB 4.43Å; V400-K604 PolarHBondContact O-NZ 3.1Å
605S81.7Confident86.9Confident3 Ų343.9 Ų43.92%0.02122%0.216CC..SBendtrans-142.1120.4-175.4173.60000111.8M1 S350 A603 T607M1-S605 WeakPolarHBondContact CE-O 3.5Å; M1-S605 WeakPolarHBondContact CG-O 3.33Å; S350-S605 WeakPolarHBondContact CB-OG 2.91Å; S350-S605 WeakPolarHBondContact OG-CB 3.31Å; S350-S605 PolarHBondContact OG-OG 3.38Å; A603-S605 PolarHBondContact O-N 3.08Å; S605-T607 PolarHBondContact O-N 2.88Å
606V84.9Confident86.3Confident58 Ų5842.4 Ų42.435%0.35221%0.206SC..  trans-82.589.3-174.9-172.10000111.3M1 T353 A354 V608M1-V606 HydrophobicContact CE-CB 4.15Å; M1-V606 HydrophobicContact CE-CG2 3.64Å; M1-V606 VanDerWaalsContact CG-CA 3.47Å; M1-V606 HydrophobicContact CG-CB 4.4Å; M1-V606 HydrophobicContact CG-CG1 4.34Å; M1-V606 VanDerWaalsContact SD-CA 3.5Å; M1-V606 HydrophobicContact SD-CB 3.95Å; M1-V606 HydrophobicContact SD-CG1 3.97Å; M1-V606 HydrophobicContact SD-CG2 3.77Å; T353-V606 CarbonylContact C-O 3.52Å; T353-V606 VanDerWaalsContact CA-O 3.3Å; T353-V606 WeakPolarHBondContact CA-O 3.09Å; A354-V606 PolarHBondContact N-O 3.47Å; V606-V608 VanDerWaalsContact CG1-O 3.28Å; V606-V608 WeakPolarHBondContact CG1-O 2.99Å
607T80.3Confident85.5Confident6 Ų645.5 Ų45.54%0.03722%0.221CC..  trans-95.113.2-173.7730000114M1 R27 N99 E352 S605M1-T607 VanDerWaalsContact CA-OG1 3.32Å; M1-T607 WeakPolarHBondContact CA-OG1 3.43Å; R27-T607 VanDerWaalsContact NH1-CG2 3.26Å; N99-T607 PolarHBondContact OD1-OG1 3.24Å; E352-T607 HydrophobicContact CB-CG2 4.13Å; S605-T607 PolarHBondContact O-N 2.88Å
608V79.6Confident84.8Confident3 Ų348.3 Ų48.32%0.01824%0.235CC..  trans-137.3155.6172.1-60.70000107.4M1 W75 T77 I101 V606M1-V608 HydrophobicContact CG-CG2 4.41Å; M1-V608 VanDerWaalsContact N-CG2 3.32Å; W75-V608 HydrophobicContact CE3-CG2 4.18Å; W75-V608 HydrophobicContact CZ3-CG2 3.74Å; T77-V608 HydrophobicContact CG2-CG2 3.86Å; I101-V608 HydrophobicContact CD1-CB 4.24Å; I101-V608 HydrophobicContact CD1-CG2 4.4Å; I101-V608 HydrophobicContact CG1-CB 4.36Å; V606-V608 VanDerWaalsContact CG1-O 3.28Å; V606-V608 WeakPolarHBondContact CG1-O 2.99Å
609E76.1Confident84.2Confident111 Ų11149.1 Ų49.152%0.51924%0.239SC..  trans-77.10175.3-61-172-134.700112.4I101 Y333 A354I101-E609 WeakPolarHBondContact CD1-O 3.33Å; Y333-E609 WeakPolarHBondContact CE2-OE2 3.49Å; Y333-E609 PolarHBondContact OH-OE2 3Å; A354-E609 HydrophobicContact CB-CG 4.21Å

Retrieved 609 of 609 residues in 274 ms (Link to these results)

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