A0A077ZI44_TRITR Loading...

BEL12 AG transposon polyprotein

AlphaFold DB , UniProt , Accession A0A077ZI44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 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
1M42.8Very low79.3Confident245 Ų245111.4 Ų111.4100%1.20763%0.628SS**  0107.20-69170.977.100107.7S3M1-S3 PolarHBondContact O-N 3Å
2T58.5Low80.4Confident140 Ų140114.5 Ų114.586%0.85962%0.623SS**  trans-81.9108171.234.80000107.7
3S71.5Confident81.5Confident99 Ų99109.8 Ų109.869%0.69261%0.609SS**PPolyproline II helixtrans-55.5141.1170.2-174.70000108.9M1 F5M1-S3 PolarHBondContact O-N 3Å; S3-F5 PolarHBondContact O-N 3.09Å
4P80Confident82.4Confident110 Ų110106 Ų10671%0.71459%0.587SS**PPolyproline II helixtrans-57.1136.4175.922-31.2000109.9T6P4-T6 PolarHBondContact O-N 2.85Å
5F79.7Confident83.3Confident150 Ų15099.7 Ų99.766%0.65855%0.554SS**PPolyproline II helixtrans-60.7131.6178.1-65.3-69.5000109.9S3 E9 L10S3-F5 PolarHBondContact O-N 3.09Å; F5-E9 WeakPolarHBondContact CA-OE2 3.26Å; F5-L10 HydrophobicContact CB-CD2 4.05Å; F5-L10 HydrophobicContact CB-CG 4.1Å; F5-L10 HydrophobicContact CG-CD2 4.46Å
6T89Confident84.1Confident72 Ų7297.2 Ų97.244%0.44255%0.55SS..PPolyproline II helixtrans-69.5152.9172.362.40000110.1P4 A8 E9 L10P4-T6 PolarHBondContact O-N 2.85Å; T6-A8 PolarHBondContact O-N 2.85Å; T6-E9 PolarHBondContact N-OE2 3.28Å; T6-E9 WeakPolarHBondContact O-CB 3.33Å; T6-E9 PolarHBondContact O-N 3.02Å; T6-E9 VanDerWaalsContact OG1-CD 3.27Å; T6-E9 WeakPolarHBondContact OG1-CG 3.43Å; T6-E9 PolarHBondContact OG1-N 2.93Å; T6-E9 PolarHBondContact OG1-OE2 3.18Å; T6-L10 PolarHBondContact O-N 3.02Å; T6-L10 VanDerWaalsContact O-N 3.1Å
7V87.5Confident84.9Confident113 Ų11395.2 Ų95.269%0.68554%0.543SS*.Hα-helixtrans-53.1-38.9173.61780000110.8E9 L10 D11V7-E9 VanDerWaalsContact C-N 3.32Å; V7-E9 PolarHBondContact O-N 3.1Å; V7-L10 PolarHBondContact O-N 3.01Å; V7-D11 WeakPolarHBondContact O-CB 3.18Å; V7-D11 PolarHBondContact O-N 3.24Å
8A90Very high85.6Confident47 Ų4789.9 Ų89.939%0.38851%0.513SS..Hα-helixtrans-65-32.8177.900000113.2T6 R12T6-A8 PolarHBondContact O-N 2.85Å; A8-R12 VanDerWaalsContact O-CG 3.29Å; A8-R12 WeakPolarHBondContact O-CG 3.48Å; A8-R12 PolarHBondContact O-N 3.12Å; A8-R12 VanDerWaalsContact O-N 3.15Å; A8-R12 PolarHBondContact O-NH1 2.92Å
9E91.1Very high86.3Confident78 Ų7886.6 Ų86.636%0.36449%0.493SS..Hα-helixtrans-71.7-43.4174.8-75.1164.1151.100111.7F5 T6 V7 D11 R12 A13F5-E9 WeakPolarHBondContact CA-OE2 3.26Å; T6-E9 PolarHBondContact N-OE2 3.28Å; T6-E9 WeakPolarHBondContact O-CB 3.33Å; T6-E9 PolarHBondContact O-N 3.02Å; T6-E9 VanDerWaalsContact OG1-CD 3.27Å; T6-E9 WeakPolarHBondContact OG1-CG 3.43Å; T6-E9 PolarHBondContact OG1-N 2.93Å; T6-E9 PolarHBondContact OG1-OE2 3.18Å; V7-E9 VanDerWaalsContact C-N 3.32Å; V7-E9 PolarHBondContact O-N 3.1Å; E9-D11 VanDerWaalsContact C-N 3.33Å; E9-D11 PolarHBondContact O-N 3.08Å; E9-R12 PolarHBondContact O-N 2.87Å; E9-A13 WeakPolarHBondContact O-CB 3.19Å; E9-A13 PolarHBondContact O-N 3.27Å
10L91.4Very high86.9Confident98 Ų9885.2 Ų85.251%0.51349%0.489SS..Hα-helixtrans-61.6-43.3175.9-66.4175.8000111.3F5 T6 V7 R12 A13 L14F5-L10 HydrophobicContact CB-CD2 4.05Å; F5-L10 HydrophobicContact CB-CG 4.1Å; F5-L10 HydrophobicContact CG-CD2 4.46Å; T6-L10 PolarHBondContact O-N 3.02Å; T6-L10 VanDerWaalsContact O-N 3.1Å; V7-L10 PolarHBondContact O-N 3.01Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 3.46Å; L10-A13 PolarHBondContact O-N 2.89Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.24Å
11D90.7Very high87.4Confident73 Ų7381.1 Ų81.139%0.3947%0.465SS..Hα-helixtrans-58.7-43174.7-94.715.5000112.5V7 E9 A15 K55V7-D11 WeakPolarHBondContact O-CB 3.18Å; V7-D11 PolarHBondContact O-N 3.24Å; E9-D11 VanDerWaalsContact C-N 3.33Å; E9-D11 PolarHBondContact O-N 3.08Å; D11-A15 VanDerWaalsContact O-CB 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.43Å; D11-A15 PolarHBondContact O-N 3.15Å; D11-K55 IonicContact OD2-NZ 3.27Å; D11-K55 PolarHBondContact OD2-NZ 2.78Å
12R93.3Very high90Very high149 Ų14969.5 Ų69.556%0.56241%0.408SS*.Hα-helixtrans-67.8-41.7177.5-76.4-172.5-59.5-95.110.4111.4A8 E9 L10 A15 A16A8-R12 VanDerWaalsContact O-CG 3.29Å; A8-R12 WeakPolarHBondContact O-CG 3.48Å; A8-R12 PolarHBondContact O-N 3.12Å; A8-R12 VanDerWaalsContact O-N 3.15Å; A8-R12 PolarHBondContact O-NH1 2.92Å; E9-R12 PolarHBondContact O-N 2.87Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 3.46Å; R12-A15 PolarHBondContact O-N 3.46Å; R12-A16 WeakPolarHBondContact O-CB 3.23Å; R12-A16 PolarHBondContact O-N 3.03Å
13A94.3Very high91.9Very high53 Ų5370.2 Ų70.244%0.43840%0.395SS..Hα-helixtrans-63.4-46177.400000111.2E9 L10 A15 A16 C17E9-A13 WeakPolarHBondContact O-CB 3.19Å; E9-A13 PolarHBondContact O-N 3.27Å; L10-A13 PolarHBondContact O-N 2.89Å; A13-A15 PolarHBondContact O-N 3Å; A13-A16 PolarHBondContact O-N 3.33Å; A13-C17 PolarHBondContact O-N 2.94Å; A13-C17 PolarHBondContact O-SG 2.85Å; A13-C17 VanDerWaalsContact O-SG 3.37Å
14L94.1Very high93.2Very high57 Ų5771.2 Ų71.230%0.29839%0.389SS..Hα-helixtrans-59.3-48.1175.1-18060.2000111.1L10 A16 C17 L18L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3.24Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.37Å; L14-C17 PolarHBondContact O-N 3.06Å; L14-L18 HydrophobicContact CD1-CD1 4.48Å; L14-L18 HydrophobicContact CD1-CG 4.34Å; L14-L18 HydrophobicContact CG-CD1 4.14Å; L14-L18 HydrophobicContact CG-CG 4.45Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 2.81Å
15A95.4Very high94Very high12 Ų1268.3 Ų68.310%0.09937%0.371CS..Hα-helixtrans-58.6-42.1177.300000111.9D11 R12 A13 L18 I19 T57D11-A15 VanDerWaalsContact O-CB 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.43Å; D11-A15 PolarHBondContact O-N 3.15Å; R12-A15 PolarHBondContact O-N 3.46Å; A13-A15 PolarHBondContact O-N 3Å; A15-L18 PolarHBondContact O-N 2.94Å; A15-I19 WeakPolarHBondContact O-CB 3.42Å; A15-I19 WeakPolarHBondContact O-CD1 3.25Å; A15-I19 WeakPolarHBondContact O-CG1 3.35Å; A15-I19 PolarHBondContact O-N 2.91Å; A15-T57 HydrophobicContact CB-CG2 4.05Å
16A97Very high94.8Very high59 Ų5962.8 Ų62.849%0.48835%0.346SS..Hα-helixtrans-62.3-44.8176.500000112.2R12 A13 L14 L18 I19 S20R12-A16 WeakPolarHBondContact O-CB 3.23Å; R12-A16 PolarHBondContact O-N 3.03Å; A13-A16 PolarHBondContact O-N 3.33Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.37Å; A16-L18 PolarHBondContact O-N 3.15Å; A16-I19 PolarHBondContact O-N 2.95Å; A16-S20 PolarHBondContact O-N 3.2Å
17C97.6Very high95.2Very high64 Ų6463.1 Ų63.143%0.43235%0.349SS..Hα-helixtrans-60.8-44.7175.5-70.80000111.9A13 L14 S20 A21 L85A13-C17 PolarHBondContact O-N 2.94Å; A13-C17 PolarHBondContact O-SG 2.85Å; A13-C17 VanDerWaalsContact O-SG 3.37Å; L14-C17 PolarHBondContact O-N 3.06Å; C17-S20 PolarHBondContact O-N 2.64Å; C17-A21 PolarHBondContact O-N 2.9Å; C17-L85 HydrophobicContact CB-CD1 4.1Å; C17-L85 HydrophobicContact CB-CD2 3.98Å; C17-L85 WeakPolarHBondContact O-CD2 3.42Å
18L97.9Very high95.7Very high0 Ų061.1 Ų61.10%033%0.332CS..Hα-helixtrans-59-48.6176.1-72.7174000111.2L14 A15 A16 S20 A21 Q22 T57 F77 L79 L85 Y113L14-L18 HydrophobicContact CD1-CD1 4.48Å; L14-L18 HydrophobicContact CD1-CG 4.34Å; L14-L18 HydrophobicContact CG-CD1 4.14Å; L14-L18 HydrophobicContact CG-CG 4.45Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 2.81Å; A15-L18 PolarHBondContact O-N 2.94Å; A16-L18 PolarHBondContact O-N 3.15Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.18Å; L18-A21 PolarHBondContact O-N 3.01Å; L18-Q22 WeakPolarHBondContact O-CB 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.38Å; L18-Q22 PolarHBondContact O-N 3.05Å; L18-T57 HydrophobicContact CB-CG2 4.33Å; L18-T57 HydrophobicContact CD1-CG2 4.47Å; L18-F77 HydrophobicContact CD1-CB 4.24Å; L18-F77 HydrophobicContact CD1-CD1 3.85Å; L18-F77 HydrophobicContact CD1-CD2 3.84Å; L18-F77 HydrophobicContact CD1-CE1 4.05Å; L18-F77 HydrophobicContact CD1-CE2 4.03Å; L18-F77 HydrophobicContact CD1-CG 3.73Å; L18-F77 HydrophobicContact CD1-CZ 4.12Å; L18-F77 HydrophobicContact CD2-CB 4.49Å; L18-L79 HydrophobicContact CD2-CD2 3.49Å; L18-L79 VanDerWaalsContact CD2-CD2 3.49Å; L18-L79 HydrophobicContact CD2-CG 4.07Å; L18-L85 HydrophobicContact CD2-CD2 4.14Å; L18-Y113 HydrophobicContact CD2-CE1 4.34Å
19I98Very high96.1Very high27 Ų2760 Ų6014%0.13832%0.319CS..Hα-helixtrans-61.2-42.3179.4-69164.5000111A15 A16 Q22 R23 M30 K55 G56 T57A15-I19 WeakPolarHBondContact O-CB 3.42Å; A15-I19 WeakPolarHBondContact O-CD1 3.25Å; A15-I19 WeakPolarHBondContact O-CG1 3.35Å; A15-I19 PolarHBondContact O-N 2.91Å; A16-I19 PolarHBondContact O-N 2.95Å; I19-Q22 PolarHBondContact O-N 2.84Å; I19-R23 HydrophobicContact CG2-CG 4.31Å; I19-R23 WeakPolarHBondContact O-CB 3.48Å; I19-R23 VanDerWaalsContact O-CG 3.32Å; I19-R23 WeakPolarHBondContact O-CG 3.2Å; I19-R23 PolarHBondContact O-N 3.13Å; I19-M30 HydrophobicContact CG2-CE 4.41Å; I19-K55 WeakPolarHBondContact CD1-O 3.2Å; I19-G56 WeakPolarHBondContact CG1-O 3.49Å; I19-T57 HydrophobicContact CD1-CG2 4.16Å; I19-T57 HydrophobicContact CG1-CG2 3.89Å
20S98Very high96.4Very high58 Ų5856.5 Ų56.541%0.40630%0.303SS..Hα-helixtrans-59.8-53.7176.8-160.90000110.7A16 C17 L18 Q22 R23 E24A16-S20 PolarHBondContact O-N 3.2Å; C17-S20 PolarHBondContact O-N 2.64Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.18Å; S20-Q22 PolarHBondContact O-N 2.93Å; S20-R23 PolarHBondContact O-N 3.1Å; S20-R23 VanDerWaalsContact O-N 3.15Å; S20-E24 WeakPolarHBondContact O-CB 3.17Å; S20-E24 VanDerWaalsContact O-CG 3.31Å; S20-E24 WeakPolarHBondContact O-CG 3.36Å; S20-E24 PolarHBondContact O-N 3.19Å; S20-E24 PolarHBondContact OG-OE1 2.93Å
21A98.3Very high96.7Very high0 Ų055.4 Ų55.40%030%0.303CS..Hα-helixtrans-58.3-38.9179.800000112.2C17 L18 C25 P80 H83 L85C17-A21 PolarHBondContact O-N 2.9Å; L18-A21 PolarHBondContact O-N 3.01Å; A21-C25 WeakPolarHBondContact O-CB 3.43Å; A21-C25 PolarHBondContact O-N 2.95Å; A21-C25 PolarHBondContact O-SG 3.02Å; A21-P80 HydrophobicContact CB-CG 4.23Å; A21-H83 VanDerWaalsContact CB-CE1 3.44Å; A21-H83 WeakPolarHBondContact CB-CE1 3.25Å; A21-L85 HydrophobicContact CB-CD2 3.9Å
22Q98.1Very high97.1Very high0 Ų055.3 Ų55.30%030%0.297CS..Hα-helixtrans-69.6-42.1178.1-72.9171.6-17.600112.3L18 I19 S20 Y26 M30 M58 I78L18-Q22 WeakPolarHBondContact O-CB 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.38Å; L18-Q22 PolarHBondContact O-N 3.05Å; I19-Q22 PolarHBondContact O-N 2.84Å; S20-Q22 PolarHBondContact O-N 2.93Å; Q22-Y26 CarbonylContact O-C 3.43Å; Q22-Y26 VanDerWaalsContact O-CA 3.29Å; Q22-Y26 WeakPolarHBondContact O-CA 3.3Å; Q22-Y26 WeakPolarHBondContact O-CB 3.26Å; Q22-Y26 PolarHBondContact O-N 3.35Å; Q22-M30 HydrophobicContact CB-CE 4.4Å; Q22-M30 HydrophobicContact CB-CG 4.02Å; Q22-M30 HydrophobicContact CB-SD 3.78Å; Q22-M58 HydrophobicContact CB-CE 4.42Å; Q22-M58 HydrophobicContact CG-CE 4.24Å; Q22-M58 PolarHBondContact NE2-O 2.93Å; Q22-I78 WeakPolarHBondContact CG-O 3.29Å; Q22-I78 PolarHBondContact NE2-O 3.38Å
23R97.7Very high97.3Very high155 Ų15549.6 Ų49.659%0.58528%0.278SS*.Hα-helixtrans-66.3-38.4176.1-74.7176.6175.7176-0.4112I19 S20 P27 M30I19-R23 HydrophobicContact CG2-CG 4.31Å; I19-R23 WeakPolarHBondContact O-CB 3.48Å; I19-R23 VanDerWaalsContact O-CG 3.32Å; I19-R23 WeakPolarHBondContact O-CG 3.2Å; I19-R23 PolarHBondContact O-N 3.13Å; S20-R23 PolarHBondContact O-N 3.1Å; S20-R23 VanDerWaalsContact O-N 3.15Å; R23-P27 WeakPolarHBondContact O-CA 3.26Å; R23-P27 WeakPolarHBondContact O-CB 3.43Å; R23-M30 HydrophobicContact CG-CB 4.32Å; R23-M30 HydrophobicContact CG-CE 4.01Å; R23-M30 HydrophobicContact CG-CG 4.19Å
24E97.9Very high97.4Very high120 Ų12050.5 Ų50.556%0.56128%0.281SS*.Hα-helixtrans-66.5-43.3177.7-72.5169.9-136.300112S20 H83S20-E24 WeakPolarHBondContact O-CB 3.17Å; S20-E24 VanDerWaalsContact O-CG 3.31Å; S20-E24 WeakPolarHBondContact O-CG 3.36Å; S20-E24 PolarHBondContact O-N 3.19Å; S20-E24 PolarHBondContact OG-OE1 2.93Å; E24-H83 IonicContact OE2-NE2 3.02Å; E24-H83 PolarHBondContact OE2-NE2 3.22Å
25C97.5Very high97.5Very high50 Ų5051.2 Ų51.234%0.33829%0.291SS..Hα-helixtrans-96.2-22.6-172.6-65.60000114.8A21 P27 P80A21-C25 WeakPolarHBondContact O-CB 3.43Å; A21-C25 PolarHBondContact O-N 2.95Å; A21-C25 PolarHBondContact O-SG 3.02Å; C25-P27 VanDerWaalsContact C-CD 3.45Å; C25-P80 HydrophobicContact CB-CB 3.49Å; C25-P80 VanDerWaalsContact CB-CB 3.49Å; C25-P80 HydrophobicContact CB-CG 3.85Å; C25-P80 WeakPolarHBondContact SG-CB 3.39Å; C25-P80 VanDerWaalsContact SG-CG 3.6Å
26Y97.2Very high97.5Very high33 Ų3354.2 Ų54.213%0.12932%0.322CS..  trans-134.153.3-176.8-53-64.1000111.7Q22 E28 E29 M30 L45 M58 I78 P80Q22-Y26 CarbonylContact O-C 3.43Å; Q22-Y26 VanDerWaalsContact O-CA 3.29Å; Q22-Y26 WeakPolarHBondContact O-CA 3.3Å; Q22-Y26 WeakPolarHBondContact O-CB 3.26Å; Q22-Y26 PolarHBondContact O-N 3.35Å; Y26-E28 PolarHBondContact O-N 3.06Å; Y26-E29 PolarHBondContact O-N 2.99Å; Y26-M30 WeakPolarHBondContact O-CB 3.37Å; Y26-M30 WeakPolarHBondContact O-CG 3.42Å; Y26-M30 PolarHBondContact O-N 3.14Å; Y26-L45 HydrophobicContact CD1-CD1 3.75Å; Y26-L45 HydrophobicContact CD1-CG 4.46Å; Y26-L45 HydrophobicContact CD2-CD1 4.25Å; Y26-L45 HydrophobicContact CE1-CD1 3.92Å; Y26-L45 HydrophobicContact CE1-CD2 4.38Å; Y26-L45 HydrophobicContact CE1-CG 4.33Å; Y26-L45 HydrophobicContact CE2-CD1 4.39Å; Y26-L45 HydrophobicContact CG-CD1 3.92Å; Y26-M58 HydrophobicContact CD2-CE 3.61Å; Y26-M58 HydrophobicContact CE2-CE 4.39Å; Y26-M58 HydrophobicContact CG-CE 3.99Å; Y26-I78 HydrophobicContact CE2-CG2 4.06Å; Y26-P80 HydrophobicContact CE2-CB 3.86Å; Y26-P80 HydrophobicContact CE2-CG 4.43Å; Y26-P80 WeakPolarHBondContact OH-CA 3.12Å
27P97.5Very high97.4Very high79 Ų7957.1 Ų57.151%0.51332%0.324SS..Hα-helixtrans-63-39.2-172.824.1-34000113.1R23 C25 S31R23-P27 WeakPolarHBondContact O-CA 3.26Å; R23-P27 WeakPolarHBondContact O-CB 3.43Å; C25-P27 VanDerWaalsContact C-CD 3.45Å; P27-S31 VanDerWaalsContact O-CB 3.23Å; P27-S31 WeakPolarHBondContact O-CB 3.43Å; P27-S31 PolarHBondContact O-N 2.86Å
28E97.8Very high97.3Very high72 Ų7258.8 Ų58.834%0.33633%0.334SS..Hα-helixtrans-67.2-45.8179.1-174.4175.1-118.400110.6Y26 R32 L40 R42Y26-E28 PolarHBondContact O-N 3.06Å; E28-R32 WeakPolarHBondContact O-CB 3.48Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.38Å; E28-R32 PolarHBondContact O-N 2.75Å; E28-L40 VanDerWaalsContact OE1-CD1 3.23Å; E28-L40 WeakPolarHBondContact OE1-CD1 3.46Å; E28-L40 WeakPolarHBondContact OE2-CD1 3.46Å; E28-R42 IonicContact OE1-CZ 2.69Å; E28-R42 IonicContact OE1-NH2 2.88Å; E28-R42 PolarHBondContact OE1-NH2 2.97Å; E28-R42 IonicContact OE2-NE 3.38Å; E28-R42 IonicContact OE2-NH2 3.73Å
29E97.9Very high97.2Very high24 Ų2459.6 Ų59.611%0.11234%0.339CS..Hα-helixtrans-63.7-48177.1-67.183.2175.500112Y26 S31 R32 L33 L39 S43 L45 M58Y26-E29 PolarHBondContact O-N 2.99Å; E29-S31 PolarHBondContact O-N 2.69Å; E29-R32 PolarHBondContact O-N 3.49Å; E29-L33 WeakPolarHBondContact O-CB 3.5Å; E29-L33 VanDerWaalsContact O-CG 3.27Å; E29-L33 WeakPolarHBondContact O-CG 3.15Å; E29-L33 PolarHBondContact O-N 2.89Å; E29-L39 HydrophobicContact CB-CD1 4.36Å; E29-L39 HydrophobicContact CB-CD2 3.72Å; E29-L39 HydrophobicContact CG-CD1 3.76Å; E29-L39 HydrophobicContact CG-CD2 3.69Å; E29-L39 HydrophobicContact CG-CG 4.37Å; E29-S43 WeakPolarHBondContact CG-OG 3.39Å; E29-S43 WeakPolarHBondContact OE1-CB 3.4Å; E29-S43 PolarHBondContact OE1-OG 3.34Å; E29-L45 HydrophobicContact CG-CD1 4.21Å; E29-M58 HydrophobicContact CB-SD 4.16Å
30M97.7Very high97.1Very high4 Ų460.5 Ų60.52%0.0234%0.343CS..Hα-helixtrans-58.1-47.1177.8-78.5-61.6-6900111.7I19 Q22 R23 Y26 S34 I52 M58I19-M30 HydrophobicContact CG2-CE 4.41Å; Q22-M30 HydrophobicContact CB-CE 4.4Å; Q22-M30 HydrophobicContact CB-CG 4.02Å; Q22-M30 HydrophobicContact CB-SD 3.78Å; R23-M30 HydrophobicContact CG-CB 4.32Å; R23-M30 HydrophobicContact CG-CE 4.01Å; R23-M30 HydrophobicContact CG-CG 4.19Å; Y26-M30 WeakPolarHBondContact O-CB 3.37Å; Y26-M30 WeakPolarHBondContact O-CG 3.42Å; Y26-M30 PolarHBondContact O-N 3.14Å; M30-S34 WeakPolarHBondContact O-CB 3.41Å; M30-S34 PolarHBondContact O-N 2.86Å; M30-S34 PolarHBondContact O-OG 2.84Å; M30-I52 HydrophobicContact CE-CD1 3.9Å; M30-I52 HydrophobicContact SD-CD1 3.72Å; M30-M58 HydrophobicContact SD-CB 3.68Å; M30-M58 HydrophobicContact SD-CE 4.4Å; M30-M58 HydrophobicContact SD-SD 4.34Å
31S97.7Very high97Very high74 Ų7462.3 Ų62.352%0.51736%0.362SS..Hα-helixtrans-62.4-46.9179.9177.60000112.2P27 E29 S35P27-S31 VanDerWaalsContact O-CB 3.23Å; P27-S31 WeakPolarHBondContact O-CB 3.43Å; P27-S31 PolarHBondContact O-N 2.86Å; E29-S31 PolarHBondContact O-N 2.69Å; S31-S35 WeakPolarHBondContact O-CB 3.23Å; S31-S35 PolarHBondContact O-N 3Å; S31-S35 VanDerWaalsContact O-N 3.15Å; S31-S35 PolarHBondContact O-OG 3.26Å
32R98Very high96.9Very high71 Ų7171 Ų7127%0.26840%0.395SS..Hα-helixtrans-67.1-49.3-178-69.9-178.577.91062.4111.6E28 E29 S34 S35 G36 K37 P38 L39 L40E28-R32 WeakPolarHBondContact O-CB 3.48Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.38Å; E28-R32 PolarHBondContact O-N 2.75Å; E29-R32 PolarHBondContact O-N 3.49Å; R32-S34 PolarHBondContact O-N 2.67Å; R32-S35 CarbonylContact O-C 3.51Å; R32-S35 WeakPolarHBondContact O-CA 3.25Å; R32-S35 PolarHBondContact O-N 3.46Å; R32-G36 PolarHBondContact O-N 2.82Å; R32-K37 CarbonylContact C-O 3.46Å; R32-K37 HydrophobicContact CB-CB 4.17Å; R32-K37 WeakPolarHBondContact O-CB 3.22Å; R32-K37 PolarHBondContact O-N 3.42Å; R32-P38 PolarHBondContact NE-O 3.37Å; R32-P38 PolarHBondContact NH2-O 3.38Å; R32-P38 VanDerWaalsContact NH2-O 3.08Å; R32-L39 HydrophobicContact CB-CD2 4.38Å; R32-L40 VanDerWaalsContact CZ-CD2 3.46Å
33L97.4Very high96.8Very high29 Ų2971.6 Ų71.615%0.15240%0.398CS..Hα-helixtrans-64.9-39.7-179.2-64.7172.9000111.8E29 S35 G36 L39 P50 I52 M58E29-L33 WeakPolarHBondContact O-CB 3.5Å; E29-L33 VanDerWaalsContact O-CG 3.27Å; E29-L33 WeakPolarHBondContact O-CG 3.15Å; E29-L33 PolarHBondContact O-N 2.89Å; L33-S35 PolarHBondContact O-N 3.06Å; L33-G36 PolarHBondContact O-N 2.99Å; L33-L39 HydrophobicContact CD1-CD2 4.05Å; L33-L39 HydrophobicContact CD1-CG 4.47Å; L33-L39 HydrophobicContact CD2-CD2 3.89Å; L33-L39 HydrophobicContact CD2-CG 4.02Å; L33-L39 HydrophobicContact CG-CD2 3.65Å; L33-L39 HydrophobicContact CG-CG 4.25Å; L33-P50 HydrophobicContact CD1-CB 3.95Å; L33-P50 HydrophobicContact CD1-CG 4.09Å; L33-P50 VanDerWaalsContact CD2-O 3.25Å; L33-P50 WeakPolarHBondContact CD2-O 3.37Å; L33-I52 HydrophobicContact CB-CD1 4.33Å; L33-I52 HydrophobicContact CB-CG1 3.63Å; L33-M58 HydrophobicContact CD1-CG 4.01Å; L33-M58 HydrophobicContact CD1-SD 3.76Å
34S96.2Very high96.6Very high72 Ų7273 Ų7350%0.50341%0.409SS..Hα-helixtrans-63.7-25.3175-56.40000112.5M30 R32M30-S34 WeakPolarHBondContact O-CB 3.41Å; M30-S34 PolarHBondContact O-N 2.86Å; M30-S34 PolarHBondContact O-OG 2.84Å; R32-S34 PolarHBondContact O-N 2.67Å
35S96.4Very high96.5Very high73 Ų7367.4 Ų67.451%0.5138%0.383SS..THydrogen-bonded Turntrans-91.88.5176-52.80000113.4S31 R32 L33 K37S31-S35 WeakPolarHBondContact O-CB 3.23Å; S31-S35 PolarHBondContact O-N 3Å; S31-S35 VanDerWaalsContact O-N 3.15Å; S31-S35 PolarHBondContact O-OG 3.26Å; R32-S35 CarbonylContact O-C 3.51Å; R32-S35 WeakPolarHBondContact O-CA 3.25Å; R32-S35 PolarHBondContact O-N 3.46Å; L33-S35 PolarHBondContact O-N 3.06Å; S35-K37 PolarHBondContact O-N 2.88Å
36G95.1Very high96.3Very high74 Ų7468.7 Ų68.776%0.76339%0.386SS*.THydrogen-bonded Turntrans65.918-175.700000114.3R32 L33R32-G36 PolarHBondContact O-N 2.82Å; L33-G36 PolarHBondContact O-N 2.99Å
37K96Very high96.1Very high121 Ų12173.7 Ų73.753%0.52641%0.41SS..PPolyproline II helixtrans-94141.7179.9-65.2179.8-177.5175.10110.3R32 S35R32-K37 CarbonylContact C-O 3.46Å; R32-K37 HydrophobicContact CB-CB 4.17Å; R32-K37 WeakPolarHBondContact O-CB 3.22Å; R32-K37 PolarHBondContact O-N 3.42Å; S35-K37 PolarHBondContact O-N 2.88Å
38P94.3Very high95.9Very high99 Ų9970.8 Ų70.864%0.64339%0.39SS*.PPolyproline II helixtrans-64.1149.7174.928.1-34.9000110.7R32R32-P38 PolarHBondContact NE-O 3.37Å; R32-P38 PolarHBondContact NH2-O 3.38Å; R32-P38 VanDerWaalsContact NH2-O 3.08Å
39L96.8Very high95.7Very high17 Ų1770.6 Ų70.69%0.08940%0.397CS..PPolyproline II helixtrans-62.4154171.2-67.8-164000111.5E29 R32 L33 L45 L46 P50E29-L39 HydrophobicContact CB-CD1 4.36Å; E29-L39 HydrophobicContact CB-CD2 3.72Å; E29-L39 HydrophobicContact CG-CD1 3.76Å; E29-L39 HydrophobicContact CG-CD2 3.69Å; E29-L39 HydrophobicContact CG-CG 4.37Å; R32-L39 HydrophobicContact CB-CD2 4.38Å; L33-L39 HydrophobicContact CD1-CD2 4.05Å; L33-L39 HydrophobicContact CD1-CG 4.47Å; L33-L39 HydrophobicContact CD2-CD2 3.89Å; L33-L39 HydrophobicContact CD2-CG 4.02Å; L33-L39 HydrophobicContact CG-CD2 3.65Å; L33-L39 HydrophobicContact CG-CG 4.25Å; L39-L45 HydrophobicContact CD1-CB 4.25Å; L39-L46 HydrophobicContact CB-CD1 3.86Å; L39-P50 HydrophobicContact CD1-CG 3.25Å; L39-P50 HydrophobicContact CG-CG 4.14Å
40L96.6Very high95.6Very high46 Ų4670 Ų7024%0.24140%0.395CS..PPolyproline II helixtrans-69.6149.4172.8-67.1-177.5000110.9E28 R32 R42 S43E28-L40 VanDerWaalsContact OE1-CD1 3.23Å; E28-L40 WeakPolarHBondContact OE1-CD1 3.46Å; E28-L40 WeakPolarHBondContact OE2-CD1 3.46Å; R32-L40 VanDerWaalsContact CZ-CD2 3.46Å; L40-R42 HydrophobicContact CB-CG 4.01Å; L40-R42 HydrophobicContact CD1-CG 4.5Å; L40-R42 VanDerWaalsContact CD1-NH2 3.26Å; L40-R42 PolarHBondContact O-N 3.33Å; L40-S43 WeakPolarHBondContact O-CB 3.32Å; L40-S43 PolarHBondContact O-N 3.38Å
41A95.7Very high95.5Very high95 Ų9571.9 Ų71.979%0.78540%0.403SS*.THydrogen-bonded Turntrans-53.4-29.5176.600000113.5S43A41-S43 VanDerWaalsContact C-N 3.34Å
42R96.2Very high95.5Very high184 Ų18470.6 Ų70.669%0.69439%0.39SS*.THydrogen-bonded Turntrans-79.1-10.4178.669-179.4176.6-147.10.4114.7E28 L40 K44E28-R42 IonicContact OE1-CZ 2.69Å; E28-R42 IonicContact OE1-NH2 2.88Å; E28-R42 PolarHBondContact OE1-NH2 2.97Å; E28-R42 IonicContact OE2-NE 3.38Å; E28-R42 IonicContact OE2-NH2 3.73Å; L40-R42 HydrophobicContact CB-CG 4.01Å; L40-R42 HydrophobicContact CD1-CG 4.5Å; L40-R42 VanDerWaalsContact CD1-NH2 3.26Å; L40-R42 PolarHBondContact O-N 3.33Å; R42-K44 PolarHBondContact O-N 3.05Å
43S95.7Very high95.4Very high11 Ų1168.4 Ų68.48%0.07738%0.383CS..  trans-66.3129.5-177.2178.50000110E29 L40 A41 L45 L46E29-S43 WeakPolarHBondContact CG-OG 3.39Å; E29-S43 WeakPolarHBondContact OE1-CB 3.4Å; E29-S43 PolarHBondContact OE1-OG 3.34Å; L40-S43 WeakPolarHBondContact O-CB 3.32Å; L40-S43 PolarHBondContact O-N 3.38Å; A41-S43 VanDerWaalsContact C-N 3.34Å; S43-L45 PolarHBondContact O-N 2.92Å; S43-L45 PolarHBondContact OG-N 3.34Å; S43-L46 WeakPolarHBondContact O-CB 3.36Å; S43-L46 PolarHBondContact O-N 3.22Å
44K93.4Very high95.2Very high184 Ų18477.7 Ų77.780%0.842%0.423SS*.THydrogen-bonded Turntrans-67.4-15.1175.7-65.4176.3-177169.20112.1R42 H47R42-K44 PolarHBondContact O-N 3.05Å; K44-H47 PolarHBondContact O-CE1 3.15Å; K44-H47 PolarHBondContact O-ND1 3.29Å
45L94.9Very high95.1Very high4 Ų479.8 Ų79.82%0.02142%0.423CS..THydrogen-bonded Turntrans-93-10.3178.8-58.1-177.6000112.9Y26 E29 L39 S43 H47 L48 P50 M58 I78 W114Y26-L45 HydrophobicContact CD1-CD1 3.75Å; Y26-L45 HydrophobicContact CD1-CG 4.46Å; Y26-L45 HydrophobicContact CD2-CD1 4.25Å; Y26-L45 HydrophobicContact CE1-CD1 3.92Å; Y26-L45 HydrophobicContact CE1-CD2 4.38Å; Y26-L45 HydrophobicContact CE1-CG 4.33Å; Y26-L45 HydrophobicContact CE2-CD1 4.39Å; Y26-L45 HydrophobicContact CG-CD1 3.92Å; E29-L45 HydrophobicContact CG-CD1 4.21Å; L39-L45 HydrophobicContact CD1-CB 4.25Å; S43-L45 PolarHBondContact O-N 2.92Å; S43-L45 PolarHBondContact OG-N 3.34Å; L45-H47 PolarHBondContact O-N 2.79Å; L45-H47 VanDerWaalsContact O-N 3.13Å; L45-L48 HydrophobicContact CD2-CD1 3.89Å; L45-L48 VanDerWaalsContact O-CB 3.3Å; L45-L48 WeakPolarHBondContact O-CB 3.35Å; L45-L48 PolarHBondContact O-N 3.22Å; L45-P50 HydrophobicContact CB-CG 4.18Å; L45-P50 VanDerWaalsContact O-CD 3.26Å; L45-P50 WeakPolarHBondContact O-CD 3.32Å; L45-M58 HydrophobicContact CD1-CE 3.75Å; L45-M58 HydrophobicContact CD1-SD 4.1Å; L45-I78 HydrophobicContact CD1-CG2 4.08Å; L45-I78 HydrophobicContact CD2-CG2 4.11Å; L45-W114 HydrophobicContact CD2-CZ3 4Å
46L94.6Very high95Very high76 Ų7677.5 Ų77.540%0.39841%0.411SS..G310 helixtrans-53.7-40.1-173.4-176.668.6000113.5L39 S43 L48 S49L39-L46 HydrophobicContact CB-CD1 3.86Å; S43-L46 WeakPolarHBondContact O-CB 3.36Å; S43-L46 PolarHBondContact O-N 3.22Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-L48 VanDerWaalsContact O-N 3.12Å; L46-S49 PolarHBondContact O-N 3.1Å; L46-S49 VanDerWaalsContact O-N 3.15Å
47H92Very high95.1Very high139 Ų13974 Ų7464%0.64438%0.375SS*.G310 helixtrans-66.2-10.2179.872.7-77.8000114.7K44 L45K44-H47 PolarHBondContact O-CE1 3.15Å; K44-H47 PolarHBondContact O-ND1 3.29Å; L45-H47 PolarHBondContact O-N 2.79Å; L45-H47 VanDerWaalsContact O-N 3.13Å
48L93Very high95.2Very high17 Ų1768.3 Ų68.39%0.08935%0.35CS..G310 helixtrans-96.64.6178.1-55.2172.5000112.7L45 L46 P50 A60 E61 I78 W114L45-L48 HydrophobicContact CD2-CD1 3.89Å; L45-L48 VanDerWaalsContact O-CB 3.3Å; L45-L48 WeakPolarHBondContact O-CB 3.35Å; L45-L48 PolarHBondContact O-N 3.22Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-L48 VanDerWaalsContact O-N 3.12Å; L48-P50 VanDerWaalsContact C-N 3.31Å; L48-A60 HydrophobicContact CB-CB 4.05Å; L48-E61 CarbonylContact C-O 3.54Å; L48-E61 CarbonylContact O-C 3.12Å; L48-E61 PolarHBondContact O-N 3.06Å; L48-I78 HydrophobicContact CD1-CD1 4.18Å; L48-W114 HydrophobicContact CD1-CD2 3.78Å; L48-W114 HydrophobicContact CD1-CE3 3.55Å; L48-W114 HydrophobicContact CD1-CH2 3.47Å; L48-W114 VanDerWaalsContact CD1-CH2 3.47Å; L48-W114 HydrophobicContact CD1-CZ2 3.69Å; L48-W114 HydrophobicContact CD1-CZ3 3.36Å; L48-W114 HydrophobicContact CD2-CD2 4.3Å; L48-W114 HydrophobicContact CD2-CH2 4.29Å; L48-W114 HydrophobicContact CD2-CZ2 3.66Å; L48-W114 HydrophobicContact CG-CH2 4.36Å; L48-W114 HydrophobicContact CG-CZ2 4.22Å
49S94.4Very high95.4Very high68 Ų6863.7 Ų63.748%0.47632%0.32SS..  trans40.256.5-173-580000112.4L46 E61L46-S49 PolarHBondContact O-N 3.1Å; L46-S49 VanDerWaalsContact O-N 3.15Å; S49-E61 WeakPolarHBondContact CB-O 3.23Å; S49-E61 WeakPolarHBondContact O-CB 3.48Å; S49-E61 PolarHBondContact O-N 2.69Å
50P95.9Very high95.3Very high12 Ų1263.1 Ų63.18%0.07832%0.318CS..  trans-69.2145.7-170.528.5-35.3000111.6L33 L39 L45 L48 M58 R59 I78L33-P50 HydrophobicContact CD1-CB 3.95Å; L33-P50 HydrophobicContact CD1-CG 4.09Å; L33-P50 VanDerWaalsContact CD2-O 3.25Å; L33-P50 WeakPolarHBondContact CD2-O 3.37Å; L39-P50 HydrophobicContact CD1-CG 3.25Å; L39-P50 HydrophobicContact CG-CG 4.14Å; L45-P50 HydrophobicContact CB-CG 4.18Å; L45-P50 VanDerWaalsContact O-CD 3.26Å; L45-P50 WeakPolarHBondContact O-CD 3.32Å; L48-P50 VanDerWaalsContact C-N 3.31Å; P50-M58 HydrophobicContact CB-CG 4.18Å; P50-M58 HydrophobicContact CB-SD 4.33Å; P50-R59 CarbonylContact C-O 3.44Å; P50-R59 WeakPolarHBondContact CA-O 3.47Å; P50-I78 HydrophobicContact CB-CD1 3.69Å
51F96Very high94.9Very high44 Ų4465.1 Ų65.119%0.19333%0.325CS..EExtended strand (participates in β ladder)trans-139.1161.4179.270.5-80.5000111.2D53 M58 R59 E61 H75F51-D53 HydrophobicContact CE2-CB 4.23Å; F51-M58 CarbonylContact O-C 3.56Å; F51-M58 WeakPolarHBondContact O-CA 3.44Å; F51-R59 HydrophobicContact CD1-CB 4.21Å; F51-R59 HydrophobicContact CE1-CB 3.66Å; F51-R59 HydrophobicContact CE2-CB 4.25Å; F51-R59 HydrophobicContact CZ-CB 3.7Å; F51-R59 PolarHBondContact N-O 2.79Å; F51-R59 PolarHBondContact O-N 2.84Å; F51-E61 HydrophobicContact CD1-CB 3.81Å; F51-E61 HydrophobicContact CE1-CB 3.92Å; F51-H75 HydrophobicContact CE1-CB 4.17Å; F51-H75 AromaticContact CE1-ND1 3.79Å; F51-H75 HydrophobicContact CZ-CB 3.97Å; F51-H75 AromaticContact CZ-ND1 3.89Å
52I97.3Very high94Very high46 Ų4662.1 Ų62.124%0.23630%0.304CS..EExtended strand (participates in β ladder)trans-95.9125.5173.2-63.8-68.2000108.7M30 L33 T57 M58M30-I52 HydrophobicContact CE-CD1 3.9Å; M30-I52 HydrophobicContact SD-CD1 3.72Å; L33-I52 HydrophobicContact CB-CD1 4.33Å; L33-I52 HydrophobicContact CB-CG1 3.63Å; I52-T57 WeakPolarHBondContact CA-O 3.27Å; I52-M58 HydrophobicContact CD1-CB 3.9Å; I52-M58 HydrophobicContact CD1-CG 4.49Å
53D95.3Very high93Very high25 Ų2565.9 Ų65.913%0.13432%0.319CS..  trans-80.8177.3177.882.6-10.3000112.8F51 K55 G56 T57 R59F51-D53 HydrophobicContact CE2-CB 4.23Å; D53-K55 PolarHBondContact O-N 2.89Å; D53-K55 VanDerWaalsContact O-N 3.1Å; D53-K55 WeakPolarHBondContact OD1-CA 3.46Å; D53-K55 WeakPolarHBondContact OD1-CB 3.44Å; D53-K55 PolarHBondContact OD1-N 3.23Å; D53-G56 PolarHBondContact O-N 2.88Å; D53-G56 PolarHBondContact OD1-N 3.33Å; D53-T57 PolarHBondContact N-O 3.4Å; D53-T57 PolarHBondContact OD1-N 2.83Å; D53-T57 PolarHBondContact OD1-OG1 3.15Å; D53-T57 PolarHBondContact OD2-OG1 3.38Å; D53-R59 IonicContact OD2-NE 2.83Å
54K93.6Very high92.4Very high224 Ų22469.1 Ų69.197%0.97433%0.334SS*.THydrogen-bonded Turntrans-60.8-21.1179.9-62.9-177.1-179.3179.70113.7
55K93.3Very high91.7Very high116 Ų11663.4 Ų63.450%0.50431%0.312SS..THydrogen-bonded Turntrans-91.7-2.7178.1-64.5-176.3178-1770112D11 I19 D53D11-K55 IonicContact OD2-NZ 3.27Å; D11-K55 PolarHBondContact OD2-NZ 2.78Å; I19-K55 WeakPolarHBondContact CD1-O 3.2Å; D53-K55 PolarHBondContact O-N 2.89Å; D53-K55 VanDerWaalsContact O-N 3.1Å; D53-K55 WeakPolarHBondContact OD1-CA 3.46Å; D53-K55 WeakPolarHBondContact OD1-CB 3.44Å; D53-K55 PolarHBondContact OD1-N 3.23Å
56G95.7Very high91.1Very high26 Ų2674.5 Ų74.527%0.26835%0.354SS..SBendtrans86.88.1-179.300000114.3I19 D53I19-G56 WeakPolarHBondContact CG1-O 3.49Å; D53-G56 PolarHBondContact O-N 2.88Å; D53-G56 PolarHBondContact OD1-N 3.33Å
57T97.4Very high90.8Very high1 Ų172.4 Ų72.41%0.00635%0.347CS..  trans-88.8144.1179.267.20000110.9A15 L18 I19 I52 D53 F77A15-T57 HydrophobicContact CB-CG2 4.05Å; L18-T57 HydrophobicContact CB-CG2 4.33Å; L18-T57 HydrophobicContact CD1-CG2 4.47Å; I19-T57 HydrophobicContact CD1-CG2 4.16Å; I19-T57 HydrophobicContact CG1-CG2 3.89Å; I52-T57 WeakPolarHBondContact CA-O 3.27Å; D53-T57 PolarHBondContact N-O 3.4Å; D53-T57 PolarHBondContact OD1-N 2.83Å; D53-T57 PolarHBondContact OD1-OG1 3.15Å; D53-T57 PolarHBondContact OD2-OG1 3.38Å; T57-F77 HydrophobicContact CG2-CD1 4.43Å; T57-F77 HydrophobicContact CG2-CE1 4.12Å; T57-F77 WeakPolarHBondContact OG1-CD1 3.48Å; T57-F77 WeakPolarHBondContact OG1-CE1 3.31Å
58M97.8Very high90.8Very high0 Ų073.9 Ų73.90%036%0.36CS..EExtended strand (participates in β ladder)trans-83125.9174.5-174.317753.800111.1Q22 Y26 E29 M30 L33 L45 P50 F51 I52 I78Q22-M58 HydrophobicContact CB-CE 4.42Å; Q22-M58 HydrophobicContact CG-CE 4.24Å; Q22-M58 PolarHBondContact NE2-O 2.93Å; Y26-M58 HydrophobicContact CD2-CE 3.61Å; Y26-M58 HydrophobicContact CE2-CE 4.39Å; Y26-M58 HydrophobicContact CG-CE 3.99Å; E29-M58 HydrophobicContact CB-SD 4.16Å; M30-M58 HydrophobicContact SD-CB 3.68Å; M30-M58 HydrophobicContact SD-CE 4.4Å; M30-M58 HydrophobicContact SD-SD 4.34Å; L33-M58 HydrophobicContact CD1-CG 4.01Å; L33-M58 HydrophobicContact CD1-SD 3.76Å; L45-M58 HydrophobicContact CD1-CE 3.75Å; L45-M58 HydrophobicContact CD1-SD 4.1Å; P50-M58 HydrophobicContact CB-CG 4.18Å; P50-M58 HydrophobicContact CB-SD 4.33Å; F51-M58 CarbonylContact O-C 3.56Å; F51-M58 WeakPolarHBondContact O-CA 3.44Å; I52-M58 HydrophobicContact CD1-CB 3.9Å; I52-M58 HydrophobicContact CD1-CG 4.49Å; M58-I78 HydrophobicContact CE-CB 4.17Å; M58-I78 HydrophobicContact CE-CG2 3.97Å; M58-I78 HydrophobicContact CG-CD1 4.15Å; M58-I78 PolarHBondContact O-N 3.44Å
59R97.1Very high90.5Very high3 Ų376.5 Ų76.51%0.01137%0.374CS..EExtended strand (participates in β ladder)trans-123.8154.7-178.9-68-171.5142.3-130.8-6.9110.9P50 F51 D53 Y71 N72 H75 P76 F77P50-R59 CarbonylContact C-O 3.44Å; P50-R59 WeakPolarHBondContact CA-O 3.47Å; F51-R59 HydrophobicContact CD1-CB 4.21Å; F51-R59 HydrophobicContact CE1-CB 3.66Å; F51-R59 HydrophobicContact CE2-CB 4.25Å; F51-R59 HydrophobicContact CZ-CB 3.7Å; F51-R59 PolarHBondContact N-O 2.79Å; F51-R59 PolarHBondContact O-N 2.84Å; D53-R59 IonicContact OD2-NE 2.83Å; R59-Y71 VanDerWaalsContact NH1-CD1 3.26Å; R59-N72 PolarHBondContact NH1-OD1 3.23Å; R59-N72 PolarHBondContact NH2-OD1 3.15Å; R59-H75 VanDerWaalsContact CD-O 3.25Å; R59-H75 WeakPolarHBondContact CD-O 3.29Å; R59-H75 PolarHBondContact NE-O 2.97Å; R59-H75 PolarHBondContact NH1-O 3.39Å; R59-P76 WeakPolarHBondContact CA-O 3.39Å; R59-F77 HydrophobicContact CG-CD1 3.83Å; R59-F77 HydrophobicContact CG-CE1 4.3Å; R59-F77 VanDerWaalsContact NE-CD1 3.34Å; R59-F77 VanDerWaalsContact NH2-CE1 3.31Å; R59-F77 VanDerWaalsContact NH2-CE2 3.26Å
60A94.8Very high90.4Very high5 Ų577.2 Ų77.24%0.04138%0.377CS..  trans-86.9137.117200000110.2L48 H75 P76 I78L48-A60 HydrophobicContact CB-CB 4.05Å; A60-H75 VanDerWaalsContact O-CA 3.25Å; A60-H75 WeakPolarHBondContact O-CA 3.33Å; A60-P76 HydrophobicContact CB-CG 4.35Å; A60-P76 PolarHBondContact N-O 3.37Å; A60-I78 HydrophobicContact CB-CD1 4.03Å; A60-I78 HydrophobicContact CB-CG1 4.01Å
61E88.4Confident90.3Very high87 Ų8782.1 Ų82.141%0.40740%0.395SS..  trans-106.3115.3168.6-164.9168.3-136.600108.7L48 S49 F51L48-E61 CarbonylContact C-O 3.54Å; L48-E61 CarbonylContact O-C 3.12Å; L48-E61 PolarHBondContact O-N 3.06Å; S49-E61 WeakPolarHBondContact CB-O 3.23Å; S49-E61 WeakPolarHBondContact O-CB 3.48Å; S49-E61 PolarHBondContact O-N 2.69Å; F51-E61 HydrophobicContact CD1-CB 3.81Å; F51-E61 HydrophobicContact CE1-CB 3.92Å
62G77.2Confident90.1Very high33 Ų3382.9 Ų82.934%0.3440%0.4SS..  trans-115.6173.8-168.100000114.1I64 D65G62-I64 PolarHBondContact O-N 2.88Å; G62-D65 WeakPolarHBondContact O-CB 3.5Å; G62-D65 PolarHBondContact O-N 3.3Å; G62-D65 VanDerWaalsContact O-N 3.1Å
63R75.7Confident89.9Confident263 Ų26381.1 Ų81.199%0.99239%0.393SS*.THydrogen-bonded Turntrans-57.8-17173.5-65.8-178.3179136.8-0.4114.3
64I82.7Confident89.9Confident79 Ų7983.2 Ų83.241%0.40540%0.399SS..THydrogen-bonded Turntrans-94.213.3-179.261.4168.9000113.2G62 R66 A67 L69 R74G62-I64 PolarHBondContact O-N 2.88Å; I64-R66 PolarHBondContact O-N 3.27Å; I64-A67 HydrophobicContact CB-CB 4.05Å; I64-A67 WeakPolarHBondContact O-CB 3.46Å; I64-A67 PolarHBondContact O-N 2.96Å; I64-L69 HydrophobicContact CD1-CD1 4.19Å; I64-R74 WeakPolarHBondContact O-CD 3.01Å
65D78.8Confident89.9Confident63 Ų6373 Ų7334%0.33735%0.354SS..THydrogen-bonded Turntrans-51.7-38.3177.4177.244.3000112.9G62 R74 H75G62-D65 WeakPolarHBondContact O-CB 3.5Å; G62-D65 PolarHBondContact O-N 3.3Å; G62-D65 VanDerWaalsContact O-N 3.1Å; D65-R74 WeakPolarHBondContact O-CD 3.16Å; D65-R74 PolarHBondContact O-NH1 3.48Å; D65-H75 IonicContact OD1-CE1 3.82Å; D65-H75 PolarHBondContact OD1-CE1 3.11Å; D65-H75 IonicContact OD1-NE2 2.84Å; D65-H75 PolarHBondContact OD1-NE2 3.29Å
66R83Confident90.1Very high238 Ų23868.2 Ų68.290%0.89834%0.335SS*.THydrogen-bonded Turntrans-89.95.4177.7-60.8-174-178.9175.8-0.4114.9I64I64-R66 PolarHBondContact O-N 3.27Å
67A86.7Confident90.2Very high31 Ų3168 Ų6826%0.25633%0.327SS..SBendtrans-69.8153177.500000110.8I64 L69 R74I64-A67 HydrophobicContact CB-CB 4.05Å; I64-A67 WeakPolarHBondContact O-CB 3.46Å; I64-A67 PolarHBondContact O-N 2.96Å; A67-L69 HydrophobicContact CB-CB 4.34Å; A67-L69 HydrophobicContact CB-CD1 3.89Å; A67-L69 HydrophobicContact CB-CG 3.98Å; A67-L69 PolarHBondContact O-N 3.23Å; A67-R74 VanDerWaalsContact O-CD 3.26Å; A67-R74 WeakPolarHBondContact O-CD 3.33Å; A67-R74 PolarHBondContact O-NH1 3.17Å; A67-R74 VanDerWaalsContact O-NH1 3.09Å
68D91.7Very high90.2Very high171 Ų17167.9 Ų67.991%0.91433%0.327SS*.SBendtrans-80.773.5168.6-17121.2000109.4
69L88.5Confident90.2Very high72 Ų7267.9 Ų67.938%0.37733%0.327SS..SBendtrans-135.5152.7-177.5-74176.1000110.2I64 A67 A73 R74I64-L69 HydrophobicContact CD1-CD1 4.19Å; A67-L69 HydrophobicContact CB-CB 4.34Å; A67-L69 HydrophobicContact CB-CD1 3.89Å; A67-L69 HydrophobicContact CB-CG 3.98Å; A67-L69 PolarHBondContact O-N 3.23Å; L69-A73 HydrophobicContact CB-CB 4.47Å; L69-R74 HydrophobicContact CB-CG 3.61Å; L69-R74 PolarHBondContact O-NE 3.33Å
70P91.8Very high90.2Very high83 Ų8368 Ų6854%0.53933%0.327SS..  trans-52.5144.6171.7-25.534.4000111.8N72 A73 R74P70-N72 PolarHBondContact O-N 3.4Å; P70-N72 VanDerWaalsContact O-N 3.14Å; P70-A73 WeakPolarHBondContact O-CB 3.48Å; P70-A73 PolarHBondContact O-N 3.41Å; P70-R74 PolarHBondContact O-N 2.87Å
71Y92.6Very high90.2Very high115 Ų11571.5 Ų71.545%0.45134%0.34SS..Hα-helixtrans-53.9-38.2-176.3-178.6-100.6000113.3R59 R74 H75R59-Y71 VanDerWaalsContact NH1-CD1 3.26Å; Y71-R74 PolarHBondContact O-N 2.94Å; Y71-H75 AromaticContact CD2-CD2 3.43Å; Y71-H75 VanDerWaalsContact CD2-CD2 3.43Å; Y71-H75 WeakPolarHBondContact CD2-CD2 3.32Å; Y71-H75 AromaticContact CD2-NE2 3.97Å; Y71-H75 AromaticContact CE2-CD2 3.23Å; Y71-H75 WeakPolarHBondContact CE2-CD2 3.43Å; Y71-H75 AromaticContact CE2-CG 4Å; Y71-H75 AromaticContact CE2-NE2 3.68Å; Y71-H75 AromaticContact CZ-CD2 3.83Å; Y71-H75 PolarHBondContact O-CD2 2.84Å; Y71-H75 PolarHBondContact O-N 2.93Å
72N93.4Very high90.5Very high59 Ų5975.6 Ų75.632%0.31636%0.356SS..Hα-helixtrans-68.1-34.2178.5-66.7-15.3000113R59 P70 H75 P76 Q111 Q112R59-N72 PolarHBondContact NH1-OD1 3.23Å; R59-N72 PolarHBondContact NH2-OD1 3.15Å; P70-N72 PolarHBondContact O-N 3.4Å; P70-N72 VanDerWaalsContact O-N 3.14Å; N72-H75 CarbonylContact O-C 3.59Å; N72-P76 WeakPolarHBondContact O-CA 3.4Å; N72-P76 VanDerWaalsContact O-N 3.16Å; N72-Q111 CarbonylContact C-O 3.55Å; N72-Q111 WeakPolarHBondContact CB-O 3.41Å; N72-Q112 HydrophobicContact CB-CG 4.15Å
73A93.1Very high91.5Very high9 Ų975.4 Ų75.47%0.07435%0.346CS..Hα-helixtrans-73.9-33.4176.900000111L69 P70 Q111L69-A73 HydrophobicContact CB-CB 4.47Å; P70-A73 WeakPolarHBondContact O-CB 3.48Å; P70-A73 PolarHBondContact O-N 3.41Å; A73-Q111 VanDerWaalsContact CA-O 3.27Å; A73-Q111 WeakPolarHBondContact CA-O 3.42Å; A73-Q111 PolarHBondContact N-O 3.48Å
74R93.8Very high92.5Very high69 Ų6966.7 Ų66.726%0.2632%0.324SS..Hα-helixtrans-73.8-39.9175.8-68.1-166.4-77.4176.30.9113.5I64 D65 A67 L69 P70 Y71 P76I64-R74 WeakPolarHBondContact O-CD 3.01Å; D65-R74 WeakPolarHBondContact O-CD 3.16Å; D65-R74 PolarHBondContact O-NH1 3.48Å; A67-R74 VanDerWaalsContact O-CD 3.26Å; A67-R74 WeakPolarHBondContact O-CD 3.33Å; A67-R74 PolarHBondContact O-NH1 3.17Å; A67-R74 VanDerWaalsContact O-NH1 3.09Å; L69-R74 HydrophobicContact CB-CG 3.61Å; L69-R74 PolarHBondContact O-NE 3.33Å; P70-R74 PolarHBondContact O-N 2.87Å; Y71-R74 PolarHBondContact O-N 2.94Å; R74-P76 WeakPolarHBondContact O-CD 3.26Å
75H95.4Very high93.2Very high9 Ų964.2 Ų64.24%0.04231%0.311CS..SBendtrans-122.558.6-176.5-52.4-85.8000112.2F51 R59 A60 D65 Y71 N72F51-H75 HydrophobicContact CE1-CB 4.17Å; F51-H75 AromaticContact CE1-ND1 3.79Å; F51-H75 HydrophobicContact CZ-CB 3.97Å; F51-H75 AromaticContact CZ-ND1 3.89Å; R59-H75 VanDerWaalsContact CD-O 3.25Å; R59-H75 WeakPolarHBondContact CD-O 3.29Å; R59-H75 PolarHBondContact NE-O 2.97Å; R59-H75 PolarHBondContact NH1-O 3.39Å; A60-H75 VanDerWaalsContact O-CA 3.25Å; A60-H75 WeakPolarHBondContact O-CA 3.33Å; D65-H75 IonicContact OD1-CE1 3.82Å; D65-H75 PolarHBondContact OD1-CE1 3.11Å; D65-H75 IonicContact OD1-NE2 2.84Å; D65-H75 PolarHBondContact OD1-NE2 3.29Å; Y71-H75 AromaticContact CD2-CD2 3.43Å; Y71-H75 VanDerWaalsContact CD2-CD2 3.43Å; Y71-H75 WeakPolarHBondContact CD2-CD2 3.32Å; Y71-H75 AromaticContact CD2-NE2 3.97Å; Y71-H75 AromaticContact CE2-CD2 3.23Å; Y71-H75 WeakPolarHBondContact CE2-CD2 3.43Å; Y71-H75 AromaticContact CE2-CG 4Å; Y71-H75 AromaticContact CE2-NE2 3.68Å; Y71-H75 AromaticContact CZ-CD2 3.83Å; Y71-H75 PolarHBondContact O-CD2 2.84Å; Y71-H75 PolarHBondContact O-N 2.93Å; N72-H75 CarbonylContact O-C 3.59Å
76P96.2Very high94.1Very high16 Ų1661.2 Ų61.210%0.10430%0.295CS..PPolyproline II helixtrans-60.6148.2-170.626.7-36.4000112.6R59 A60 N72 R74 I78 Q112 W114R59-P76 WeakPolarHBondContact CA-O 3.39Å; A60-P76 HydrophobicContact CB-CG 4.35Å; A60-P76 PolarHBondContact N-O 3.37Å; N72-P76 WeakPolarHBondContact O-CA 3.4Å; N72-P76 VanDerWaalsContact O-N 3.16Å; R74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-I78 PolarHBondContact O-N 2.97Å; P76-Q112 CarbonylContact C-O 3.41Å; P76-Q112 WeakPolarHBondContact CA-O 3.35Å; P76-W114 HydrophobicContact CB-CB 4.12Å; P76-W114 HydrophobicContact CG-CB 3.85Å
77F97.6Very high94.8Very high21 Ų2152 Ų529%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-64132.5172.7-59.8-68.6000109.9L18 T57 R59 L79 Q112 Y113 W114L18-F77 HydrophobicContact CD1-CB 4.24Å; L18-F77 HydrophobicContact CD1-CD1 3.85Å; L18-F77 HydrophobicContact CD1-CD2 3.84Å; L18-F77 HydrophobicContact CD1-CE1 4.05Å; L18-F77 HydrophobicContact CD1-CE2 4.03Å; L18-F77 HydrophobicContact CD1-CG 3.73Å; L18-F77 HydrophobicContact CD1-CZ 4.12Å; L18-F77 HydrophobicContact CD2-CB 4.49Å; T57-F77 HydrophobicContact CG2-CD1 4.43Å; T57-F77 HydrophobicContact CG2-CE1 4.12Å; T57-F77 WeakPolarHBondContact OG1-CD1 3.48Å; T57-F77 WeakPolarHBondContact OG1-CE1 3.31Å; R59-F77 HydrophobicContact CG-CD1 3.83Å; R59-F77 HydrophobicContact CG-CE1 4.3Å; R59-F77 VanDerWaalsContact NE-CD1 3.34Å; R59-F77 VanDerWaalsContact NH2-CE1 3.31Å; R59-F77 VanDerWaalsContact NH2-CE2 3.26Å; F77-L79 PolarHBondContact O-N 3.26Å; F77-Q112 WeakPolarHBondContact CD2-O 3.43Å; F77-Q112 PolarHBondContact N-O 3.24Å; F77-Y113 HydrophobicContact CB-CD1 4.04Å; F77-Y113 HydrophobicContact CB-CE1 4.43Å; F77-Y113 HydrophobicContact CD2-CD1 4.19Å; F77-Y113 AromaticContact CD2-CE1 3.92Å; F77-Y113 HydrophobicContact CD2-CE1 3.92Å; F77-Y113 WeakPolarHBondContact O-CA 3.35Å; F77-W114 PolarHBondContact O-N 2.92Å
78I97.7Very high95.3Very high0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-80.8117.7177.1-67.2171.6000108.7Q22 Y26 L45 L48 P50 M58 A60 P76 W114Q22-I78 WeakPolarHBondContact CG-O 3.29Å; Q22-I78 PolarHBondContact NE2-O 3.38Å; Y26-I78 HydrophobicContact CE2-CG2 4.06Å; L45-I78 HydrophobicContact CD1-CG2 4.08Å; L45-I78 HydrophobicContact CD2-CG2 4.11Å; L48-I78 HydrophobicContact CD1-CD1 4.18Å; P50-I78 HydrophobicContact CB-CD1 3.69Å; M58-I78 HydrophobicContact CE-CB 4.17Å; M58-I78 HydrophobicContact CE-CG2 3.97Å; M58-I78 HydrophobicContact CG-CD1 4.15Å; M58-I78 PolarHBondContact O-N 3.44Å; A60-I78 HydrophobicContact CB-CD1 4.03Å; A60-I78 HydrophobicContact CB-CG1 4.01Å; P76-I78 PolarHBondContact O-N 2.97Å; I78-W114 HydrophobicContact CG1-CE3 4.5Å; I78-W114 HydrophobicContact CG2-CE3 4.31Å
79L97.5Very high95.5Very high0 Ų049.2 Ų49.20%024%0.242CC..  trans-111.5133.9179.3-88.3178.6000111.7L18 F77 R81 L85 T86 I89 Y113 W114 I115 P116L18-L79 HydrophobicContact CD2-CD2 3.49Å; L18-L79 VanDerWaalsContact CD2-CD2 3.49Å; L18-L79 HydrophobicContact CD2-CG 4.07Å; F77-L79 PolarHBondContact O-N 3.26Å; L79-R81 PolarHBondContact O-N 2.9Å; L79-L85 HydrophobicContact CD2-CD2 4.16Å; L79-T86 HydrophobicContact CB-CG2 4.47Å; L79-I89 HydrophobicContact CD1-CD1 3.63Å; L79-I89 HydrophobicContact CD1-CG2 4.47Å; L79-I89 HydrophobicContact CD2-CD1 4.43Å; L79-Y113 HydrophobicContact CD1-CD1 3.37Å; L79-Y113 HydrophobicContact CD1-CE1 3.99Å; L79-Y113 HydrophobicContact CD1-CG 3.79Å; L79-Y113 HydrophobicContact CG-CD1 4.01Å; L79-W114 PolarHBondContact N-O 2.91Å; L79-I115 HydrophobicContact CB-CG1 3.78Å; L79-I115 HydrophobicContact CD1-CD1 4.48Å; L79-I115 HydrophobicContact CD1-CG1 4.33Å; L79-P116 WeakPolarHBondContact O-CD 3.27Å
80P97Very high96Very high4 Ų445.8 Ų45.83%0.02622%0.224CC..  trans-67.7130.7174.726.4-32.5000111.5A21 C25 Y26 K82 H83 T86A21-P80 HydrophobicContact CB-CG 4.23Å; C25-P80 HydrophobicContact CB-CB 3.49Å; C25-P80 VanDerWaalsContact CB-CB 3.49Å; C25-P80 HydrophobicContact CB-CG 3.85Å; C25-P80 WeakPolarHBondContact SG-CB 3.39Å; C25-P80 VanDerWaalsContact SG-CG 3.6Å; Y26-P80 HydrophobicContact CE2-CB 3.86Å; Y26-P80 HydrophobicContact CE2-CG 4.43Å; Y26-P80 WeakPolarHBondContact OH-CA 3.12Å; P80-K82 VanDerWaalsContact C-N 3.28Å; P80-K82 PolarHBondContact O-N 3.49Å; P80-H83 HydrophobicContact CB-CB 4.2Å; P80-H83 HydrophobicContact CG-CB 3.61Å; P80-T86 VanDerWaalsContact O-CB 3.27Å; P80-T86 WeakPolarHBondContact O-CB 3.29Å; P80-T86 PolarHBondContact O-OG1 3.03Å
81R95.6Very high96.2Very high80 Ų8044.1 Ų44.130%0.30221%0.21SC..SBendtrans-56.9-38.2-178.5-173.3-177.376.4137.5-8114.1L79 I115 P116 A121L79-R81 PolarHBondContact O-N 2.9Å; R81-I115 HydrophobicContact CB-CG2 4.33Å; R81-I115 HydrophobicContact CG-CG2 4.47Å; R81-P116 HydrophobicContact CB-CG 4.49Å; R81-P116 WeakPolarHBondContact CB-O 3.37Å; R81-P116 WeakPolarHBondContact CD-O 3.47Å; R81-P116 VanDerWaalsContact CG-O 3.27Å; R81-P116 WeakPolarHBondContact CG-O 3.43Å; R81-A121 HydrophobicContact CG-CB 4.13Å
82K94.4Very high96.4Very high172 Ų17243.9 Ų43.975%0.74821%0.213SC*.SBendtrans-110.574.8-174.8-69.3-173.8175-174.10109P80P80-K82 VanDerWaalsContact C-N 3.28Å; P80-K82 PolarHBondContact O-N 3.49Å
83H97.6Very high96.6Very high29 Ų2941.6 Ų41.613%0.13420%0.203CC..SBendtrans-150141.9178.7-171.7-89.9000110.3A21 E24 P80 L85 T86 D87A21-H83 VanDerWaalsContact CB-CE1 3.44Å; A21-H83 WeakPolarHBondContact CB-CE1 3.25Å; E24-H83 IonicContact OE2-NE2 3.02Å; E24-H83 PolarHBondContact OE2-NE2 3.22Å; P80-H83 HydrophobicContact CB-CB 4.2Å; P80-H83 HydrophobicContact CG-CB 3.61Å; H83-L85 VanDerWaalsContact C-N 3.28Å; H83-L85 WeakPolarHBondContact ND1-CB 3.2Å; H83-L85 PolarHBondContact ND1-N 3.36Å; H83-L85 PolarHBondContact O-N 2.97Å; H83-T86 PolarHBondContact O-N 3.5Å; H83-T86 VanDerWaalsContact O-N 3.1Å; H83-D87 PolarHBondContact O-N 2.81Å; H83-D87 VanDerWaalsContact O-N 3.09Å
84P97.3Very high96.8Very high81 Ų8141.7 Ų41.753%0.52620%0.202SC..Hα-helixtrans-54.7-40179.8-27.935.8000113.8T86 D87 M88P84-T86 PolarHBondContact O-N 2.99Å; P84-D87 WeakPolarHBondContact O-CB 3.43Å; P84-D87 PolarHBondContact O-N 2.92Å; P84-M88 HydrophobicContact CB-CE 4.02Å; P84-M88 WeakPolarHBondContact O-CG 3.46Å; P84-M88 PolarHBondContact O-N 3.24Å
85L97.6Very high96.9Very high26 Ų2644.6 Ų44.614%0.13621%0.213CC..Hα-helixtrans-57.7-47.5175.5-177.363.7000112.4C17 L18 A21 L79 H83 D87 M88 I89C17-L85 HydrophobicContact CB-CD1 4.1Å; C17-L85 HydrophobicContact CB-CD2 3.98Å; C17-L85 WeakPolarHBondContact O-CD2 3.42Å; L18-L85 HydrophobicContact CD2-CD2 4.14Å; A21-L85 HydrophobicContact CB-CD2 3.9Å; L79-L85 HydrophobicContact CD2-CD2 4.16Å; H83-L85 VanDerWaalsContact C-N 3.28Å; H83-L85 WeakPolarHBondContact ND1-CB 3.2Å; H83-L85 PolarHBondContact ND1-N 3.36Å; H83-L85 PolarHBondContact O-N 2.97Å; L85-D87 VanDerWaalsContact C-N 3.27Å; L85-D87 PolarHBondContact O-N 3.43Å; L85-M88 PolarHBondContact O-N 3.01Å; L85-I89 HydrophobicContact CD1-CD1 4.07Å; L85-I89 HydrophobicContact CD1-CG1 4.38Å; L85-I89 HydrophobicContact CD2-CD1 4.47Å; L85-I89 HydrophobicContact CG-CD1 3.85Å; L85-I89 HydrophobicContact CG-CG1 4.5Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.39Å
86T97.6Very high97Very high0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-62.9-39.9179.2-54.30000110.8L79 P80 H83 P84 I89 I90 I115L79-T86 HydrophobicContact CB-CG2 4.47Å; P80-T86 VanDerWaalsContact O-CB 3.27Å; P80-T86 WeakPolarHBondContact O-CB 3.29Å; P80-T86 PolarHBondContact O-OG1 3.03Å; H83-T86 PolarHBondContact O-N 3.5Å; H83-T86 VanDerWaalsContact O-N 3.1Å; P84-T86 PolarHBondContact O-N 2.99Å; T86-I89 PolarHBondContact O-N 2.92Å; T86-I90 HydrophobicContact CG2-CD1 4.03Å; T86-I90 VanDerWaalsContact O-CG1 3.24Å; T86-I90 WeakPolarHBondContact O-CG1 3.48Å; T86-I90 PolarHBondContact O-N 2.94Å; T86-I115 HydrophobicContact CG2-CD1 3.81Å; T86-I115 HydrophobicContact CG2-CG1 4.04Å; T86-I115 HydrophobicContact CG2-CG2 3.99Å
87D97.1Very high97Very high46 Ų4650.1 Ų50.125%0.24625%0.245CC..Hα-helixtrans-61.4-43175.3-85.30.5000112H83 P84 L85 D91 K125H83-D87 PolarHBondContact O-N 2.81Å; H83-D87 VanDerWaalsContact O-N 3.09Å; P84-D87 WeakPolarHBondContact O-CB 3.43Å; P84-D87 PolarHBondContact O-N 2.92Å; L85-D87 VanDerWaalsContact C-N 3.27Å; L85-D87 PolarHBondContact O-N 3.43Å; D87-D91 WeakPolarHBondContact O-CB 3.4Å; D87-D91 PolarHBondContact O-N 2.61Å; D87-D91 VanDerWaalsContact O-N 3.11Å; D87-K125 VanDerWaalsContact CB-CE 3.5Å; D87-K125 VanDerWaalsContact CB-NZ 3.32Å; D87-K125 WeakPolarHBondContact OD1-CE 3.44Å; D87-K125 IonicContact OD1-NZ 2.64Å; D87-K125 VanDerWaalsContact OD2-CE 3.23Å; D87-K125 WeakPolarHBondContact OD2-CE 3.3Å; D87-K125 IonicContact OD2-NZ 3.27Å; D87-K125 PolarHBondContact OD2-NZ 3.24Å
88M97.2Very high96.9Very high120 Ų12057.1 Ų57.159%0.59128%0.278SS*.Hα-helixtrans-66.2-43.2176.2-68.8176.3-143.800111.9P84 L85 I90 D91 E92P84-M88 HydrophobicContact CB-CE 4.02Å; P84-M88 WeakPolarHBondContact O-CG 3.46Å; P84-M88 PolarHBondContact O-N 3.24Å; L85-M88 PolarHBondContact O-N 3.01Å; M88-I90 VanDerWaalsContact C-N 3.34Å; M88-I90 PolarHBondContact O-N 2.9Å; M88-D91 PolarHBondContact O-N 3.37Å; M88-E92 WeakPolarHBondContact O-CB 3.38Å; M88-E92 PolarHBondContact O-N 3.11Å
89I97.5Very high96.7Very high22 Ų2263.2 Ų63.211%0.11331%0.306CS..Hα-helixtrans-63.1-40.7179.1-71.6170.3000111.3L79 L85 T86 A93 L109 Y113L79-I89 HydrophobicContact CD1-CD1 3.63Å; L79-I89 HydrophobicContact CD1-CG2 4.47Å; L79-I89 HydrophobicContact CD2-CD1 4.43Å; L85-I89 HydrophobicContact CD1-CD1 4.07Å; L85-I89 HydrophobicContact CD1-CG1 4.38Å; L85-I89 HydrophobicContact CD2-CD1 4.47Å; L85-I89 HydrophobicContact CG-CD1 3.85Å; L85-I89 HydrophobicContact CG-CG1 4.5Å; L85-I89 WeakPolarHBondContact O-CG1 3.44Å; L85-I89 PolarHBondContact O-N 3.39Å; T86-I89 PolarHBondContact O-N 2.92Å; I89-A93 WeakPolarHBondContact O-CB 3.35Å; I89-A93 PolarHBondContact O-N 3.25Å; I89-L109 HydrophobicContact CG2-CD2 3.65Å; I89-Y113 HydrophobicContact CD1-CE1 4.14Å; I89-Y113 HydrophobicContact CG2-CD2 3.93Å; I89-Y113 HydrophobicContact CG2-CE2 3.68Å
90I97.6Very high96.5Very high0 Ų063.6 Ų63.60%031%0.309CS..Hα-helixtrans-64.6-44.5176.1-68.6167.2000110.9T86 M88 A93 H94 L109 I115 A121 V122 K125T86-I90 HydrophobicContact CG2-CD1 4.03Å; T86-I90 VanDerWaalsContact O-CG1 3.24Å; T86-I90 WeakPolarHBondContact O-CG1 3.48Å; T86-I90 PolarHBondContact O-N 2.94Å; M88-I90 VanDerWaalsContact C-N 3.34Å; M88-I90 PolarHBondContact O-N 2.9Å; I90-A93 PolarHBondContact O-N 3.37Å; I90-H94 WeakPolarHBondContact O-CB 3.31Å; I90-H94 PolarHBondContact O-N 2.82Å; I90-L109 HydrophobicContact CB-CD1 4.43Å; I90-L109 HydrophobicContact CG1-CD1 3.78Å; I90-I115 HydrophobicContact CD1-CD1 4.34Å; I90-I115 HydrophobicContact CG1-CD1 4.26Å; I90-A121 HydrophobicContact CD1-CB 3.82Å; I90-V122 HydrophobicContact CD1-CG2 4.35Å; I90-V122 HydrophobicContact CG1-CG2 4.33Å; I90-V122 HydrophobicContact CG2-CB 4.46Å; I90-V122 HydrophobicContact CG2-CG2 4.12Å; I90-K125 HydrophobicContact CB-CG 4.37Å; I90-K125 HydrophobicContact CG2-CB 3.61Å; I90-K125 HydrophobicContact CG2-CG 3.82Å
91D96.9Very high96.5Very high48 Ų4866.1 Ų66.126%0.25733%0.327SS..Hα-helixtrans-64.9-42.3-179.5-172.641.9000111.5D87 M88 H94 R95D87-D91 WeakPolarHBondContact O-CB 3.4Å; D87-D91 PolarHBondContact O-N 2.61Å; D87-D91 VanDerWaalsContact O-N 3.11Å; M88-D91 PolarHBondContact O-N 3.37Å; D91-H94 PolarHBondContact O-N 3.24Å; D91-R95 VanDerWaalsContact CG-NH2 3.35Å; D91-R95 WeakPolarHBondContact O-CG 3.21Å; D91-R95 PolarHBondContact O-N 3.2Å; D91-R95 IonicContact OD1-CZ 3.61Å; D91-R95 IonicContact OD1-NE 3.91Å; D91-R95 IonicContact OD1-NH2 3.58Å; D91-R95 PolarHBondContact OD1-NH2 3.38Å; D91-R95 IonicContact OD2-CZ 3.79Å; D91-R95 IonicContact OD2-NE 3.7Å; D91-R95 IonicContact OD2-NH1 3.38Å; D91-R95 PolarHBondContact OD2-NH1 3.23Å; D91-R95 IonicContact OD2-NH2 3.66Å; D91-R95 PolarHBondContact OD2-NH2 3.49Å
92E96.6Very high96.6Very high110 Ų11063.9 Ų63.951%0.51432%0.322SS..Hα-helixtrans-59.8-52.4173.9-17660.2-163.600111.1M88 H94 R95 T96M88-E92 WeakPolarHBondContact O-CB 3.38Å; M88-E92 PolarHBondContact O-N 3.11Å; E92-H94 VanDerWaalsContact C-N 3.27Å; E92-H94 PolarHBondContact O-N 3.04Å; E92-R95 PolarHBondContact O-N 2.83Å; E92-T96 PolarHBondContact O-N 3Å; E92-T96 PolarHBondContact O-OG1 3.1Å
93A97Very high96.7Very high12 Ų1260 Ų6010%0.09931%0.307CS..Hα-helixtrans-57.5-40.9178.800000112.3I89 I90 L97 T105 E108 L109I89-A93 WeakPolarHBondContact O-CB 3.35Å; I89-A93 PolarHBondContact O-N 3.25Å; I90-A93 PolarHBondContact O-N 3.37Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 WeakPolarHBondContact O-CD1 3.48Å; A93-L97 VanDerWaalsContact O-CG 3.25Å; A93-L97 WeakPolarHBondContact O-CG 3.27Å; A93-L97 PolarHBondContact O-N 2.96Å; A93-L97 VanDerWaalsContact O-N 3.11Å; A93-T105 HydrophobicContact CB-CG2 4.17Å; A93-E108 HydrophobicContact CB-CG 4.39Å; A93-L109 HydrophobicContact CB-CD2 3.91Å; A93-L109 HydrophobicContact CB-CG 4.14Å
94H97.2Very high96.7Very high10 Ų1063.7 Ų63.75%0.04632%0.324CS..Hα-helixtrans-63.1-41.1176.7178.858.2000112.2I90 D91 E92 L97 H99 G100 T105 V126I90-H94 WeakPolarHBondContact O-CB 3.31Å; I90-H94 PolarHBondContact O-N 2.82Å; D91-H94 PolarHBondContact O-N 3.24Å; E92-H94 VanDerWaalsContact C-N 3.27Å; E92-H94 PolarHBondContact O-N 3.04Å; H94-L97 PolarHBondContact O-N 3.32Å; H94-H99 AromaticContact CD2-ND1 3.49Å; H94-H99 PolarHBondContact CD2-ND1 3.46Å; H94-H99 WeakPolarHBondContact CE1-CA 3.5Å; H94-H99 AromaticContact CE1-ND1 3.89Å; H94-H99 PolarHBondContact CE1-O 3.04Å; H94-H99 AromaticContact NE2-CG 3.76Å; H94-H99 AromaticContact NE2-ND1 3.04Å; H94-H99 PolarHBondContact NE2-ND1 2.85Å; H94-H99 WeakPolarHBondContact O-CA 3.47Å; H94-H99 PolarHBondContact O-N 3Å; H94-G100 PolarHBondContact CE1-O 3.41Å; H94-G100 PolarHBondContact ND1-O 3.05Å; H94-T105 HydrophobicContact CB-CG2 4.19Å; H94-V126 HydrophobicContact CB-CG2 4.45Å
95R96.9Very high96.7Very high131 Ų13159.8 Ų59.849%0.49430%0.299SS..Hα-helixtrans-70.2-44.2177.3-73.2178.6-174.1148.69.2112.8D91 E92 L97 H98D91-R95 VanDerWaalsContact CG-NH2 3.35Å; D91-R95 WeakPolarHBondContact O-CG 3.21Å; D91-R95 PolarHBondContact O-N 3.2Å; D91-R95 IonicContact OD1-CZ 3.61Å; D91-R95 IonicContact OD1-NE 3.91Å; D91-R95 IonicContact OD1-NH2 3.58Å; D91-R95 PolarHBondContact OD1-NH2 3.38Å; D91-R95 IonicContact OD2-CZ 3.79Å; D91-R95 IonicContact OD2-NE 3.7Å; D91-R95 IonicContact OD2-NH1 3.38Å; D91-R95 PolarHBondContact OD2-NH1 3.23Å; D91-R95 IonicContact OD2-NH2 3.66Å; D91-R95 PolarHBondContact OD2-NH2 3.49Å; E92-R95 PolarHBondContact O-N 2.83Å; R95-L97 PolarHBondContact O-N 3.11Å; R95-H98 WeakPolarHBondContact O-CA 3.46Å; R95-H98 PolarHBondContact O-N 3.49Å
96T96.5Very high96.7Very high89 Ų8958.6 Ų58.655%0.54629%0.293SS..Hα-helixtrans-58.9-34.2176.3-49.50000111E92 H98E92-T96 PolarHBondContact O-N 3Å; E92-T96 PolarHBondContact O-OG1 3.1Å; T96-H98 PolarHBondContact O-N 2.78Å
97L96.5Very high96.6Very high52 Ų5262 Ų6227%0.27232%0.315SS..THydrogen-bonded Turntrans-82.415.3174-67.2171.8000114A93 H94 R95 H99 G100 Q104 E108A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 WeakPolarHBondContact O-CD1 3.48Å; A93-L97 VanDerWaalsContact O-CG 3.25Å; A93-L97 WeakPolarHBondContact O-CG 3.27Å; A93-L97 PolarHBondContact O-N 2.96Å; A93-L97 VanDerWaalsContact O-N 3.11Å; H94-L97 PolarHBondContact O-N 3.32Å; R95-L97 PolarHBondContact O-N 3.11Å; L97-H99 PolarHBondContact O-N 3.26Å; L97-G100 PolarHBondContact O-N 3.27Å; L97-Q104 HydrophobicContact CD1-CB 4.18Å; L97-E108 HydrophobicContact CD1-CB 3.85Å; L97-E108 HydrophobicContact CD1-CG 4.32Å
98H95.9Very high96.6Very high168 Ų16864.2 Ų64.278%0.77832%0.324SS*.THydrogen-bonded Turntrans53.450-179.1-56.1-62.4000113.5R95 T96 G100R95-H98 WeakPolarHBondContact O-CA 3.46Å; R95-H98 PolarHBondContact O-N 3.49Å; T96-H98 PolarHBondContact O-N 2.78Å; H98-G100 VanDerWaalsContact C-N 3.29Å; H98-G100 PolarHBondContact O-N 3.36Å
99H94.1Very high96.6Very high128 Ų12858.8 Ų58.859%0.59330%0.298SS*.SBendtrans61.636.7-174.9-59.7-78.1000113.7H94 L97H94-H99 AromaticContact CD2-ND1 3.49Å; H94-H99 PolarHBondContact CD2-ND1 3.46Å; H94-H99 WeakPolarHBondContact CE1-CA 3.5Å; H94-H99 AromaticContact CE1-ND1 3.89Å; H94-H99 PolarHBondContact CE1-O 3.04Å; H94-H99 AromaticContact NE2-CG 3.76Å; H94-H99 AromaticContact NE2-ND1 3.04Å; H94-H99 PolarHBondContact NE2-ND1 2.85Å; H94-H99 WeakPolarHBondContact O-CA 3.47Å; H94-H99 PolarHBondContact O-N 3Å; L97-H99 PolarHBondContact O-N 3.26Å
100G93.4Very high96.5Very high7 Ų763.4 Ų63.47%0.07231%0.314CS..  trans-53.7155.7175.800000112.9H94 L97 H98 T105H94-G100 PolarHBondContact CE1-O 3.41Å; H94-G100 PolarHBondContact ND1-O 3.05Å; L97-G100 PolarHBondContact O-N 3.27Å; H98-G100 VanDerWaalsContact C-N 3.29Å; H98-G100 PolarHBondContact O-N 3.36Å; G100-T105 PolarHBondContact O-OG1 2.93Å
101S96.2Very high96.4Very high57 Ų5767 Ų6740%0.39933%0.33SS..  trans-55.2164.6178.7650000113.1E103 Q104 T105S101-E103 PolarHBondContact O-N 2.9Å; S101-Q104 PolarHBondContact O-N 3.41Å; S101-Q104 WeakPolarHBondContact OG-CG 3.2Å; S101-Q104 PolarHBondContact OG-N 3.27Å; S101-Q104 PolarHBondContact OG-OE1 3.05Å; S101-T105 PolarHBondContact O-N 2.87Å; S101-T105 PolarHBondContact O-OG1 3.42Å
102V97.2Very high96.3Very high33 Ų3367.8 Ų67.820%0.233%0.333CS..Hα-helixtrans-52.2-40.6172.51730000111.4L106 R119 V122 K123 V126V102-L106 HydrophobicContact CG1-CD1 3.85Å; V102-L106 HydrophobicContact CG1-CG 4.43Å; V102-L106 WeakPolarHBondContact O-CB 3.26Å; V102-L106 WeakPolarHBondContact O-CD1 3.49Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 3.21Å; V102-R119 HydrophobicContact CG1-CG 4.37Å; V102-V122 HydrophobicContact CB-CG1 4.39Å; V102-V122 HydrophobicContact CG1-CB 4.42Å; V102-V122 HydrophobicContact CG1-CG1 3.96Å; V102-K123 HydrophobicContact CG2-CB 4.39Å; V102-V126 HydrophobicContact CG2-CB 3.95Å; V102-V126 HydrophobicContact CG2-CG1 3.86Å; V102-V126 HydrophobicContact CG2-CG2 4.32Å
103E97.2Very high96.3Very high91 Ų9163.8 Ų63.843%0.42531%0.313SS..Hα-helixtrans-73.3-40.1-177.4-63.3-55.613800112.5S101 L106 C107 R119S101-E103 PolarHBondContact O-N 2.9Å; E103-L106 PolarHBondContact O-N 3.45Å; E103-C107 WeakPolarHBondContact O-CB 3.25Å; E103-C107 PolarHBondContact O-N 2.84Å; E103-R119 IonicContact OE1-CZ 3.02Å; E103-R119 VanDerWaalsContact OE1-CZ 3.27Å; E103-R119 IonicContact OE1-NE 2.78Å; E103-R119 PolarHBondContact OE1-NE 3.27Å; E103-R119 IonicContact OE1-NH2 3.28Å; E103-R119 PolarHBondContact OE1-NH2 3.47Å; E103-R119 IonicContact OE2-CZ 3.43Å; E103-R119 IonicContact OE2-NH2 3.61Å; E103-R119 PolarHBondContact OE2-NH2 3.2Å
104Q97.1Very high96.3Very high106 Ų10666.7 Ų66.750%0.49532%0.321SS..Hα-helixtrans-61.8-47.3173.2-72.4165.3-59.600110.8L97 S101 L106 C107 E108L97-Q104 HydrophobicContact CD1-CB 4.18Å; S101-Q104 PolarHBondContact O-N 3.41Å; S101-Q104 WeakPolarHBondContact OG-CG 3.2Å; S101-Q104 PolarHBondContact OG-N 3.27Å; S101-Q104 PolarHBondContact OG-OE1 3.05Å; Q104-L106 VanDerWaalsContact C-N 3.32Å; Q104-L106 PolarHBondContact O-N 3.22Å; Q104-C107 WeakPolarHBondContact O-CB 3.39Å; Q104-C107 PolarHBondContact O-N 2.97Å; Q104-C107 VanDerWaalsContact O-N 3.11Å; Q104-E108 PolarHBondContact O-N 3.01Å
105T97.5Very high96.3Very high0 Ų066.6 Ų66.60%032%0.321CS..Hα-helixtrans-61.9-40.6178.3-510000111.3A93 H94 G100 S101 E108 L109 V122A93-T105 HydrophobicContact CB-CG2 4.17Å; H94-T105 HydrophobicContact CB-CG2 4.19Å; G100-T105 PolarHBondContact O-OG1 2.93Å; S101-T105 PolarHBondContact O-N 2.87Å; S101-T105 PolarHBondContact O-OG1 3.42Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-L109 HydrophobicContact CG2-CD1 4.03Å; T105-L109 WeakPolarHBondContact O-CB 3.38Å; T105-L109 WeakPolarHBondContact O-CD1 3.5Å; T105-L109 WeakPolarHBondContact O-CG 3.46Å; T105-L109 PolarHBondContact O-N 3.45Å; T105-V122 HydrophobicContact CG2-CG1 3.83Å
106L97.3Very high96.2Very high1 Ų161.7 Ų61.71%0.00531%0.306CS..Hα-helixtrans-64.2-39.4174.2-79168000112.9V102 E103 Q104 R110 R119 V122V102-L106 HydrophobicContact CG1-CD1 3.85Å; V102-L106 HydrophobicContact CG1-CG 4.43Å; V102-L106 WeakPolarHBondContact O-CB 3.26Å; V102-L106 WeakPolarHBondContact O-CD1 3.49Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 3.21Å; E103-L106 PolarHBondContact O-N 3.45Å; Q104-L106 VanDerWaalsContact C-N 3.32Å; Q104-L106 PolarHBondContact O-N 3.22Å; L106-R110 WeakPolarHBondContact O-CB 3.34Å; L106-R110 VanDerWaalsContact O-CG 3.26Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.1Å; L106-R110 VanDerWaalsContact O-N 3.1Å; L106-R119 HydrophobicContact CD1-CB 3.8Å; L106-R119 HydrophobicContact CD1-CG 3.93Å; L106-R119 HydrophobicContact CD2-CB 4.43Å; L106-V122 HydrophobicContact CD2-CB 4.15Å; L106-V122 HydrophobicContact CD2-CG2 3.6Å; L106-V122 HydrophobicContact CG-CB 4.2Å; L106-V122 HydrophobicContact CG-CG1 4.29Å; L106-V122 HydrophobicContact CG-CG2 4.02Å
107C96.3Very high96.1Very high71 Ų7165.7 Ų65.748%0.4831%0.312SS..Hα-helixtrans-63.1-46.5178.8-166.30000110.7E103 Q104 R110E103-C107 WeakPolarHBondContact O-CB 3.25Å; E103-C107 PolarHBondContact O-N 2.84Å; Q104-C107 WeakPolarHBondContact O-CB 3.39Å; Q104-C107 PolarHBondContact O-N 2.97Å; Q104-C107 VanDerWaalsContact O-N 3.11Å; C107-R110 PolarHBondContact O-N 3.11Å
108E96.8Very high96Very high92 Ų9264.5 Ų64.543%0.4331%0.308SS..Hα-helixtrans-61.4-50.2177.6-176.157.4-148.500111.4A93 L97 Q104 T105 R110 Q111A93-E108 HydrophobicContact CB-CG 4.39Å; L97-E108 HydrophobicContact CD1-CB 3.85Å; L97-E108 HydrophobicContact CD1-CG 4.32Å; Q104-E108 PolarHBondContact O-N 3.01Å; T105-E108 PolarHBondContact O-N 2.92Å; E108-R110 VanDerWaalsContact C-N 3.26Å; E108-R110 PolarHBondContact O-N 3.24Å; E108-Q111 VanDerWaalsContact O-CB 3.31Å; E108-Q111 WeakPolarHBondContact O-CB 3.21Å; E108-Q111 WeakPolarHBondContact O-CG 3.24Å; E108-Q111 PolarHBondContact O-N 3.09Å
109L97.3Very high96.1Very high7 Ų761.8 Ų61.84%0.03729%0.291CS..Hα-helixtrans-59.2-37179.4-71.3168.3000112.6I89 I90 A93 T105 Q111 Q112 Y113 I115 V122I89-L109 HydrophobicContact CG2-CD2 3.65Å; I90-L109 HydrophobicContact CB-CD1 4.43Å; I90-L109 HydrophobicContact CG1-CD1 3.78Å; A93-L109 HydrophobicContact CB-CD2 3.91Å; A93-L109 HydrophobicContact CB-CG 4.14Å; T105-L109 HydrophobicContact CG2-CD1 4.03Å; T105-L109 WeakPolarHBondContact O-CB 3.38Å; T105-L109 WeakPolarHBondContact O-CD1 3.5Å; T105-L109 WeakPolarHBondContact O-CG 3.46Å; T105-L109 PolarHBondContact O-N 3.45Å; L109-Q111 PolarHBondContact O-N 3.43Å; L109-Q112 PolarHBondContact O-N 2.92Å; L109-Q112 VanDerWaalsContact O-N 3.15Å; L109-Y113 HydrophobicContact CD2-CD2 4.1Å; L109-Y113 WeakPolarHBondContact O-CA 3.44Å; L109-Y113 WeakPolarHBondContact O-CB 3.38Å; L109-Y113 PolarHBondContact O-N 3.43Å; L109-I115 HydrophobicContact CD1-CD1 4.45Å; L109-V122 HydrophobicContact CD1-CG2 3.59Å
110R95Very high96.2Very high118 Ų11861 Ų6145%0.44529%0.287SS..Hα-helixtrans-67.1-15.5179.9-78.4177-171136.95.7113.8L106 C107 E108 Q112L106-R110 WeakPolarHBondContact O-CB 3.34Å; L106-R110 VanDerWaalsContact O-CG 3.26Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 3.1Å; L106-R110 VanDerWaalsContact O-N 3.1Å; C107-R110 PolarHBondContact O-N 3.11Å; E108-R110 VanDerWaalsContact C-N 3.26Å; E108-R110 PolarHBondContact O-N 3.24Å; R110-Q112 PolarHBondContact O-N 3.4Å
111Q94.9Very high96.3Very high75 Ų7561.1 Ų61.135%0.3529%0.287SS..THydrogen-bonded Turntrans-67.8-17.4173.9-59.7-57.5-37.600112.6N72 A73 E108 L109N72-Q111 CarbonylContact C-O 3.55Å; N72-Q111 WeakPolarHBondContact CB-O 3.41Å; A73-Q111 VanDerWaalsContact CA-O 3.27Å; A73-Q111 WeakPolarHBondContact CA-O 3.42Å; A73-Q111 PolarHBondContact N-O 3.48Å; E108-Q111 VanDerWaalsContact O-CB 3.31Å; E108-Q111 WeakPolarHBondContact O-CB 3.21Å; E108-Q111 WeakPolarHBondContact O-CG 3.24Å; E108-Q111 PolarHBondContact O-N 3.09Å; L109-Q111 PolarHBondContact O-N 3.43Å
112Q95.5Very high96.3Very high65 Ų6558.4 Ų58.430%0.30427%0.268SS..THydrogen-bonded Turntrans-141.2-22.8-175.8-58.7-170.613.400114.9N72 P76 F77 L109 R110N72-Q112 HydrophobicContact CB-CG 4.15Å; P76-Q112 CarbonylContact C-O 3.41Å; P76-Q112 WeakPolarHBondContact CA-O 3.35Å; F77-Q112 WeakPolarHBondContact CD2-O 3.43Å; F77-Q112 PolarHBondContact N-O 3.24Å; L109-Q112 PolarHBondContact O-N 2.92Å; L109-Q112 VanDerWaalsContact O-N 3.15Å; R110-Q112 PolarHBondContact O-N 3.4Å
113Y97.2Very high96.3Very high26 Ų2663.6 Ų63.610%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-130.6138.6-167.2-53.6-72.9000112.7L18 F77 L79 I89 L109L18-Y113 HydrophobicContact CD2-CE1 4.34Å; F77-Y113 HydrophobicContact CB-CD1 4.04Å; F77-Y113 HydrophobicContact CB-CE1 4.43Å; F77-Y113 HydrophobicContact CD2-CD1 4.19Å; F77-Y113 AromaticContact CD2-CE1 3.92Å; F77-Y113 HydrophobicContact CD2-CE1 3.92Å; F77-Y113 WeakPolarHBondContact O-CA 3.35Å; L79-Y113 HydrophobicContact CD1-CD1 3.37Å; L79-Y113 HydrophobicContact CD1-CE1 3.99Å; L79-Y113 HydrophobicContact CD1-CG 3.79Å; L79-Y113 HydrophobicContact CG-CD1 4.01Å; I89-Y113 HydrophobicContact CD1-CE1 4.14Å; I89-Y113 HydrophobicContact CG2-CD2 3.93Å; I89-Y113 HydrophobicContact CG2-CE2 3.68Å; L109-Y113 HydrophobicContact CD2-CD2 4.1Å; L109-Y113 WeakPolarHBondContact O-CA 3.44Å; L109-Y113 WeakPolarHBondContact O-CB 3.38Å; L109-Y113 PolarHBondContact O-N 3.43Å
114W96.3Very high96.1Very high73 Ų7365.5 Ų65.528%0.27730%0.295SS..EExtended strand (participates in β ladder)trans-109.1112.5167.1-170.595.4000108.6L45 L48 P76 F77 I78 L79 P116L45-W114 HydrophobicContact CD2-CZ3 4Å; L48-W114 HydrophobicContact CD1-CD2 3.78Å; L48-W114 HydrophobicContact CD1-CE3 3.55Å; L48-W114 HydrophobicContact CD1-CH2 3.47Å; L48-W114 VanDerWaalsContact CD1-CH2 3.47Å; L48-W114 HydrophobicContact CD1-CZ2 3.69Å; L48-W114 HydrophobicContact CD1-CZ3 3.36Å; L48-W114 HydrophobicContact CD2-CD2 4.3Å; L48-W114 HydrophobicContact CD2-CH2 4.29Å; L48-W114 HydrophobicContact CD2-CZ2 3.66Å; L48-W114 HydrophobicContact CG-CH2 4.36Å; L48-W114 HydrophobicContact CG-CZ2 4.22Å; P76-W114 HydrophobicContact CB-CB 4.12Å; P76-W114 HydrophobicContact CG-CB 3.85Å; F77-W114 PolarHBondContact O-N 2.92Å; I78-W114 HydrophobicContact CG1-CE3 4.5Å; I78-W114 HydrophobicContact CG2-CE3 4.31Å; L79-W114 PolarHBondContact N-O 2.91Å; W114-P116 HydrophobicContact CE3-CG 4.34Å; W114-P116 HydrophobicContact CH2-CB 3.97Å; W114-P116 HydrophobicContact CH2-CG 4.08Å; W114-P116 HydrophobicContact CZ3-CB 3.95Å; W114-P116 HydrophobicContact CZ3-CG 3.54Å
115I97Very high95.9Very high8 Ų862.1 Ų62.14%0.04128%0.279CS..  trans-114.1122.5179.8-59.1161.5000108L79 R81 T86 I90 L109 R117 S118L79-I115 HydrophobicContact CB-CG1 3.78Å; L79-I115 HydrophobicContact CD1-CD1 4.48Å; L79-I115 HydrophobicContact CD1-CG1 4.33Å; R81-I115 HydrophobicContact CB-CG2 4.33Å; R81-I115 HydrophobicContact CG-CG2 4.47Å; T86-I115 HydrophobicContact CG2-CD1 3.81Å; T86-I115 HydrophobicContact CG2-CG1 4.04Å; T86-I115 HydrophobicContact CG2-CG2 3.99Å; I90-I115 HydrophobicContact CD1-CD1 4.34Å; I90-I115 HydrophobicContact CG1-CD1 4.26Å; L109-I115 HydrophobicContact CD1-CD1 4.45Å; I115-R117 PolarHBondContact O-N 2.9Å; I115-S118 VanDerWaalsContact O-CB 3.29Å; I115-S118 WeakPolarHBondContact O-CB 3.09Å; I115-S118 PolarHBondContact O-N 2.78Å; I115-S118 VanDerWaalsContact O-N 3.11Å
116P94.9Very high95.5Very high28 Ų2863.4 Ų63.418%0.18229%0.287CS..THydrogen-bonded Turntrans-57.8131.1174.5-7.912.2000110.2L79 R81 W114 S118L79-P116 WeakPolarHBondContact O-CD 3.27Å; R81-P116 HydrophobicContact CB-CG 4.49Å; R81-P116 WeakPolarHBondContact CB-O 3.37Å; R81-P116 WeakPolarHBondContact CD-O 3.47Å; R81-P116 VanDerWaalsContact CG-O 3.27Å; R81-P116 WeakPolarHBondContact CG-O 3.43Å; W114-P116 HydrophobicContact CE3-CG 4.34Å; W114-P116 HydrophobicContact CH2-CB 3.97Å; W114-P116 HydrophobicContact CH2-CG 4.08Å; W114-P116 HydrophobicContact CZ3-CB 3.95Å; W114-P116 HydrophobicContact CZ3-CG 3.54Å; P116-S118 PolarHBondContact O-N 3.26Å
117R94.8Very high94.9Very high174 Ų17467.5 Ų67.566%0.65732%0.32SS*.THydrogen-bonded Turntrans5244.3-177.8-53.5-177.7-176.3-170.40.6111.7I115 R119 Q120 A121I115-R117 PolarHBondContact O-N 2.9Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 2.9Å; R117-Q120 VanDerWaalsContact C-OE1 3.27Å; R117-Q120 VanDerWaalsContact CB-OE1 3.3Å; R117-Q120 PolarHBondContact O-N 3.16Å; R117-Q120 PolarHBondContact O-OE1 3.32Å; R117-Q120 VanDerWaalsContact O-OE1 3.04Å; R117-A121 PolarHBondContact O-N 2.89Å
118S94.9Very high93.4Very high27 Ų2775.4 Ų75.419%0.18934%0.34CS..Hα-helixtrans-53.8-45.4-176.754.50000112.7I115 P116 Q120 A121 V122I115-S118 VanDerWaalsContact O-CB 3.29Å; I115-S118 WeakPolarHBondContact O-CB 3.09Å; I115-S118 PolarHBondContact O-N 2.78Å; I115-S118 VanDerWaalsContact O-N 3.11Å; P116-S118 PolarHBondContact O-N 3.26Å; S118-Q120 VanDerWaalsContact C-N 3.27Å; S118-Q120 PolarHBondContact O-N 3.39Å; S118-A121 WeakPolarHBondContact O-CA 3.23Å; S118-A121 WeakPolarHBondContact O-CB 3.19Å; S118-A121 PolarHBondContact O-N 3.06Å; S118-V122 WeakPolarHBondContact O-CG2 3.37Å; S118-V122 PolarHBondContact O-N 3.41Å
119R96.7Very high93.3Very high111 Ų11174.6 Ų74.642%0.41934%0.336SS..Hα-helixtrans-56.3-41.2-179.9179.6170.1-79.6112.4-7.8112.6V102 E103 L106 R117 K123V102-R119 HydrophobicContact CG1-CG 4.37Å; E103-R119 IonicContact OE1-CZ 3.02Å; E103-R119 VanDerWaalsContact OE1-CZ 3.27Å; E103-R119 IonicContact OE1-NE 2.78Å; E103-R119 PolarHBondContact OE1-NE 3.27Å; E103-R119 IonicContact OE1-NH2 3.28Å; E103-R119 PolarHBondContact OE1-NH2 3.47Å; E103-R119 IonicContact OE2-CZ 3.43Å; E103-R119 IonicContact OE2-NH2 3.61Å; E103-R119 PolarHBondContact OE2-NH2 3.2Å; L106-R119 HydrophobicContact CD1-CB 3.8Å; L106-R119 HydrophobicContact CD1-CG 3.93Å; L106-R119 HydrophobicContact CD2-CB 4.43Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 2.9Å; R119-K123 VanDerWaalsContact O-CB 3.26Å; R119-K123 WeakPolarHBondContact O-CB 3.46Å; R119-K123 PolarHBondContact O-N 3.44Å
120Q96.4Very high93.1Very high112 Ų11278.2 Ų78.252%0.52335%0.351SS..Hα-helixtrans-68.4-38.3176.9-64.785.8-10.800112R117 S118 K124R117-Q120 VanDerWaalsContact C-OE1 3.27Å; R117-Q120 VanDerWaalsContact CB-OE1 3.3Å; R117-Q120 PolarHBondContact O-N 3.16Å; R117-Q120 PolarHBondContact O-OE1 3.32Å; R117-Q120 VanDerWaalsContact O-OE1 3.04Å; S118-Q120 VanDerWaalsContact C-N 3.27Å; S118-Q120 PolarHBondContact O-N 3.39Å; Q120-K124 PolarHBondContact O-N 3.04Å
121A95.9Very high92.9Very high9 Ų975.9 Ų75.97%0.07435%0.346CS..Hα-helixtrans-65.9-46.1176.400000111.5R81 I90 R117 S118 K124 K125R81-A121 HydrophobicContact CG-CB 4.13Å; I90-A121 HydrophobicContact CD1-CB 3.82Å; R117-A121 PolarHBondContact O-N 2.89Å; S118-A121 WeakPolarHBondContact O-CA 3.23Å; S118-A121 WeakPolarHBondContact O-CB 3.19Å; S118-A121 PolarHBondContact O-N 3.06Å; A121-K124 WeakPolarHBondContact O-CB 3.35Å; A121-K124 PolarHBondContact O-N 3Å; A121-K125 PolarHBondContact O-N 3.49Å
122V97.1Very high92.8Very high0 Ų076 Ų760%035%0.346CS..Hα-helixtrans-63.8-48.7177.9176.50000111.1I90 V102 T105 L106 L109 S118 K124 K125 V126I90-V122 HydrophobicContact CD1-CG2 4.35Å; I90-V122 HydrophobicContact CG1-CG2 4.33Å; I90-V122 HydrophobicContact CG2-CB 4.46Å; I90-V122 HydrophobicContact CG2-CG2 4.12Å; V102-V122 HydrophobicContact CB-CG1 4.39Å; V102-V122 HydrophobicContact CG1-CB 4.42Å; V102-V122 HydrophobicContact CG1-CG1 3.96Å; T105-V122 HydrophobicContact CG2-CG1 3.83Å; L106-V122 HydrophobicContact CD2-CB 4.15Å; L106-V122 HydrophobicContact CD2-CG2 3.6Å; L106-V122 HydrophobicContact CG-CB 4.2Å; L106-V122 HydrophobicContact CG-CG1 4.29Å; L106-V122 HydrophobicContact CG-CG2 4.02Å; L109-V122 HydrophobicContact CD1-CG2 3.59Å; S118-V122 WeakPolarHBondContact O-CG2 3.37Å; S118-V122 PolarHBondContact O-N 3.41Å; V122-K124 PolarHBondContact O-N 2.64Å; V122-K124 VanDerWaalsContact O-N 3.16Å; V122-K125 PolarHBondContact O-N 3.24Å; V122-V126 HydrophobicContact CG1-CG2 3.66Å; V122-V126 WeakPolarHBondContact O-CG2 3.22Å; V122-V126 PolarHBondContact O-N 3.27Å
123K96.4Very high92.7Very high142 Ų14276.7 Ų76.762%0.61735%0.349SS*.Hα-helixtrans-55.2-37.1178-172.9177.2-178.6178.80112.3V102 R119 K125 A127V102-K123 HydrophobicContact CG2-CB 4.39Å; R119-K123 VanDerWaalsContact O-CB 3.26Å; R119-K123 WeakPolarHBondContact O-CB 3.46Å; R119-K123 PolarHBondContact O-N 3.44Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 3.41Å; K123-A127 WeakPolarHBondContact O-CB 3.35Å; K123-A127 PolarHBondContact O-N 3.35Å
124K93.9Very high92.4Very high130 Ų13080.1 Ų80.157%0.56537%0.365SS*.Hα-helixtrans-65.8-30177.4-177.6-176.8174.5-168.30113Q120 A121 V122Q120-K124 PolarHBondContact O-N 3.04Å; A121-K124 WeakPolarHBondContact O-CB 3.35Å; A121-K124 PolarHBondContact O-N 3Å; V122-K124 PolarHBondContact O-N 2.64Å; V122-K124 VanDerWaalsContact O-N 3.16Å
125K92Very high92.1Very high35 Ų3580.6 Ų80.615%0.15237%0.371CS..Hα-helixtrans-91.3-41.8-177.3-68-66.8-178.61720112.7D87 I90 A121 V122 K123 A127 R128D87-K125 VanDerWaalsContact CB-CE 3.5Å; D87-K125 VanDerWaalsContact CB-NZ 3.32Å; D87-K125 WeakPolarHBondContact OD1-CE 3.44Å; D87-K125 IonicContact OD1-NZ 2.64Å; D87-K125 VanDerWaalsContact OD2-CE 3.23Å; D87-K125 WeakPolarHBondContact OD2-CE 3.3Å; D87-K125 IonicContact OD2-NZ 3.27Å; D87-K125 PolarHBondContact OD2-NZ 3.24Å; I90-K125 HydrophobicContact CB-CG 4.37Å; I90-K125 HydrophobicContact CG2-CB 3.61Å; I90-K125 HydrophobicContact CG2-CG 3.82Å; A121-K125 PolarHBondContact O-N 3.49Å; V122-K125 PolarHBondContact O-N 3.24Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 3.41Å; K125-A127 VanDerWaalsContact C-N 3.28Å; K125-A127 PolarHBondContact O-N 3.46Å; K125-R128 PolarHBondContact O-N 3.38Å
126V89.9Confident91.7Very high28 Ų2886.2 Ų86.217%0.1740%0.397CS..Hα-helixtrans-69.3-24.8178.5174.10000112.6H94 V102 V122 R128H94-V126 HydrophobicContact CB-CG2 4.45Å; V102-V126 HydrophobicContact CG2-CB 3.95Å; V102-V126 HydrophobicContact CG2-CG1 3.86Å; V102-V126 HydrophobicContact CG2-CG2 4.32Å; V122-V126 HydrophobicContact CG1-CG2 3.66Å; V122-V126 WeakPolarHBondContact O-CG2 3.22Å; V122-V126 PolarHBondContact O-N 3.27Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 3.45Å
127A83Confident91.4Very high86 Ų8691 Ų9171%0.71142%0.415SS*.THydrogen-bonded Turntrans-84.25.6178.500000114.4K123 K125K123-A127 WeakPolarHBondContact O-CB 3.35Å; K123-A127 PolarHBondContact O-N 3.35Å; K125-A127 VanDerWaalsContact C-N 3.28Å; K125-A127 PolarHBondContact O-N 3.46Å
128R66.4Low91.1Very high238 Ų23883.5 Ų83.590%0.89839%0.393SS*.  trans-96.40176.5-74.7-177.1169.7-131.3-7.9110.2K125 V126K125-R128 PolarHBondContact O-N 3.38Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 3.45Å

Retrieved 128 of 128 residues in 415.1 ms (Link to these results)

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