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Heme response regulator HssR

Member of the two-component regulatory system HssS/HssR involved in intracellular heme homeostasis and tempering of staphylococcal virulence. Phosphorylated HssR binds to a direct repeat sequence within hrtAB promoter and activates the expression of hrtAB, an efflux pump, in response to extracellular heme, hemin, hemoglobin or blood (By similarity).

AlphaFold DB , UniProt , Accession Q2FVQ9, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene hssR, Length 224 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
1M75Confident93.3Very high127 Ų12734 Ų3463%0.62618%0.184SC*.  0139.70-165.8171.1-64.700106.8Q3 H25 D27M1-Q3 PolarHBondContact O-N 3.45Å; M1-Q3 PolarHBondContact O-NE2 3.32Å; M1-Q3 VanDerWaalsContact O-NE2 3.09Å; M1-H25 WeakPolarHBondContact CG-O 3.17Å; M1-D27 VanDerWaalsContact SD-CG 3.5Å; M1-D27 VanDerWaalsContact SD-OD1 3.37Å; M1-D27 VanDerWaalsContact SD-OD2 3.34Å
2V86.3Confident93.5Very high19 Ų1946.5 Ų46.512%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-65129.7-178.8173.60000109.1I26 D27 D47 I48 L116V2-I26 HydrophobicContact CB-CG1 4.32Å; V2-I26 HydrophobicContact CB-CG2 4.26Å; V2-I26 HydrophobicContact CG1-CG2 4.02Å; V2-D27 PolarHBondContact O-N 3.49Å; V2-D47 HydrophobicContact CG1-CB 4.21Å; V2-I48 HydrophobicContact CG1-CG2 4.36Å; V2-L116 HydrophobicContact CB-CD1 4.48Å; V2-L116 HydrophobicContact CG1-CD1 3.67Å; V2-L116 HydrophobicContact CG1-CD2 4.07Å; V2-L116 HydrophobicContact CG2-CD1 4.07Å
3Q91.9Very high93.6Very high34 Ų3445.5 Ų45.516%0.15922%0.222CC..EExtended strand (participates in β ladder)trans-98.8115.1174.5-55.6-57.4-54.900109.4M1 D27 Y29 V46 D47 I48M1-Q3 PolarHBondContact O-N 3.45Å; M1-Q3 PolarHBondContact O-NE2 3.32Å; M1-Q3 VanDerWaalsContact O-NE2 3.09Å; Q3-D27 PolarHBondContact NE2-OD2 2.85Å; Q3-D27 VanDerWaalsContact OE1-CB 3.28Å; Q3-Y29 HydrophobicContact CB-CE2 4.1Å; Q3-Y29 HydrophobicContact CG-CE2 4.33Å; Q3-Y29 VanDerWaalsContact OE1-CE2 3.22Å; Q3-Y29 PolarHBondContact OE1-OH 3.17Å; Q3-V46 WeakPolarHBondContact O-CG1 3.32Å; Q3-D47 PolarHBondContact N-OD2 2.97Å; Q3-D47 PolarHBondContact O-N 2.93Å; Q3-I48 PolarHBondContact O-N 3.42Å
4C96.1Very high93.8Very high0 Ų043.1 Ų43.10%021%0.211CC..EExtended strand (participates in β ladder)trans-108.2125179.6-1740000110.4L21 I26 D27 A28 Y29 I48C4-L21 HydrophobicContact CB-CD1 3.91Å; C4-I26 HydrophobicContact CB-CG2 3.58Å; C4-D27 PolarHBondContact N-O 3.13Å; C4-A28 CarbonylContact O-C 3.57Å; C4-A28 WeakPolarHBondContact O-CA 3.22Å; C4-Y29 PolarHBondContact O-N 3.01Å; C4-I48 CarbonylContact C-O 3.59Å; C4-I48 WeakPolarHBondContact CA-O 3.25Å; C4-I48 HydrophobicContact CB-CG2 4.01Å
5L98.3Very high94Very high0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-85133.1167.4175.263.3000108.7V7 Y29 Q31 A37 L40 L41 V46 I48 A49 V50L5-V7 HydrophobicContact CD1-CG2 3.9Å; L5-V7 HydrophobicContact CD2-CG2 3.91Å; L5-V7 HydrophobicContact CG-CG2 3.6Å; L5-Y29 CarbonylContact C-O 3.5Å; L5-Y29 WeakPolarHBondContact CA-O 3.13Å; L5-Y29 WeakPolarHBondContact CD1-O 3.27Å; L5-Q31 HydrophobicContact CD1-CB 4.32Å; L5-Q31 HydrophobicContact CD1-CG 3.89Å; L5-A37 HydrophobicContact CD1-CB 4.36Å; L5-A37 HydrophobicContact CD2-CB 4.03Å; L5-L40 HydrophobicContact CD1-CD2 4.39Å; L5-L41 HydrophobicContact CD2-CD1 4.41Å; L5-V46 HydrophobicContact CB-CB 4.29Å; L5-V46 HydrophobicContact CB-CG1 3.51Å; L5-V46 HydrophobicContact CB-CG2 3.92Å; L5-I48 PolarHBondContact N-O 3.45Å; L5-A49 HydrophobicContact CB-CB 4.17Å; L5-A49 HydrophobicContact CD2-CB 4.28Å; L5-A49 HydrophobicContact CG-CB 4.49Å; L5-A49 CarbonylContact O-C 3.52Å; L5-A49 VanDerWaalsContact O-CA 3.3Å; L5-A49 WeakPolarHBondContact O-CA 3.39Å; L5-V50 PolarHBondContact O-N 3.41Å
6V98.5Very high94.1Very high0 Ų050.6 Ų50.60%025%0.245CC..EExtended strand (participates in β ladder)trans-122.5119.3174.1-171.10000107.5L14 I17 L21 Y29 T30 Q31 V50V6-L14 HydrophobicContact CB-CD2 4.24Å; V6-L14 HydrophobicContact CG1-CD2 3.81Å; V6-L14 WeakPolarHBondContact O-CD2 3.46Å; V6-I17 HydrophobicContact CG1-CB 4.12Å; V6-I17 HydrophobicContact CG1-CD1 3.69Å; V6-I17 HydrophobicContact CG1-CG2 3.99Å; V6-I17 HydrophobicContact CG2-CG2 3.78Å; V6-L21 HydrophobicContact CG2-CD1 3.97Å; V6-Y29 PolarHBondContact N-O 2.82Å; V6-T30 HydrophobicContact CB-CG2 4.34Å; V6-T30 CarbonylContact O-C 3.58Å; V6-T30 WeakPolarHBondContact O-CA 3.28Å; V6-Q31 PolarHBondContact O-N 2.91Å; V6-V50 CarbonylContact C-O 3.46Å; V6-V50 WeakPolarHBondContact CA-O 3.31Å; V6-V50 HydrophobicContact CG1-CB 4.47Å
7V98.4Very high94.3Very high0 Ų047.6 Ų47.60%023%0.23CC..EExtended strand (participates in β ladder)trans-121.9116.8-177.6-161.30000109.2L5 Q31 A37 V50 V51 D52 M55 L63L5-V7 HydrophobicContact CD1-CG2 3.9Å; L5-V7 HydrophobicContact CD2-CG2 3.91Å; L5-V7 HydrophobicContact CG-CG2 3.6Å; V7-Q31 VanDerWaalsContact CA-O 3.32Å; V7-Q31 WeakPolarHBondContact CA-O 2.87Å; V7-A37 HydrophobicContact CG1-CB 4.24Å; V7-A37 HydrophobicContact CG2-CB 3.73Å; V7-V50 PolarHBondContact N-O 2.57Å; V7-V51 HydrophobicContact CB-CG2 4.4Å; V7-V51 HydrophobicContact CG2-CG2 4.27Å; V7-V51 CarbonylContact O-C 3.55Å; V7-D52 PolarHBondContact O-N 3.31Å; V7-M55 HydrophobicContact CB-SD 4.44Å; V7-M55 HydrophobicContact CG1-CE 4Å; V7-M55 HydrophobicContact CG1-SD 3.65Å; V7-L63 HydrophobicContact CB-CD2 4.08Å; V7-L63 HydrophobicContact CG1-CD2 4.01Å; V7-L63 HydrophobicContact CG2-CD2 3.87Å
8D96.7Very high94.4Very high0 Ų045.6 Ų45.60%022%0.223CC..  trans-162.1140.9-177.4-163.7-69.1000107.5D10 I13 L14 Q31 P32 D52 K101D8-D10 VanDerWaalsContact C-N 3.31Å; D8-D10 WeakPolarHBondContact OD1-CB 3.39Å; D8-D10 PolarHBondContact OD1-N 3.23Å; D8-I13 HydrophobicContact CB-CG2 4.3Å; D8-I13 WeakPolarHBondContact OD2-CG2 3.44Å; D8-L14 HydrophobicContact CB-CD2 3.72Å; D8-L14 HydrophobicContact CB-CG 4.12Å; D8-L14 WeakPolarHBondContact O-CD1 3.31Å; D8-Q31 PolarHBondContact N-O 2.65Å; D8-P32 WeakPolarHBondContact O-CA 3.36Å; D8-D52 HydrophobicContact CB-CB 4.13Å; D8-D52 WeakPolarHBondContact OD2-CB 3.27Å; D8-K101 IonicContact OD1-NZ 2.9Å; D8-K101 WeakPolarHBondContact OD2-CE 3.48Å; D8-K101 IonicContact OD2-NZ 3.1Å; D8-K101 PolarHBondContact OD2-NZ 3.47Å
9D95.2Very high94.3Very high80 Ų8046.2 Ų46.243%0.42823%0.232SC..SBendtrans-79.3-15.1-179.868.5-20.9000112.5P11 M55D9-P11 VanDerWaalsContact O-CD 3.27Å; D9-P11 WeakPolarHBondContact O-CD 3.31Å; D9-M55 HydrophobicContact CB-CG 4.46Å
10D95Very high94.4Very high34 Ų3446.9 Ų46.918%0.18223%0.234CC..  trans-87.3108.4173.6-168.9-21.6000111.3D8 R12 I13 L14D8-D10 VanDerWaalsContact C-N 3.31Å; D8-D10 WeakPolarHBondContact OD1-CB 3.39Å; D8-D10 PolarHBondContact OD1-N 3.23Å; D10-R12 PolarHBondContact O-N 2.83Å; D10-R12 WeakPolarHBondContact OD1-CA 3.47Å; D10-R12 WeakPolarHBondContact OD1-CB 3.47Å; D10-R12 WeakPolarHBondContact OD1-CG 3.11Å; D10-R12 IonicContact OD1-CZ 3.74Å; D10-R12 PolarHBondContact OD1-N 2.92Å; D10-R12 IonicContact OD1-NE 2.89Å; D10-R12 PolarHBondContact OD1-NE 3.47Å; D10-R12 IonicContact OD1-NH2 2.89Å; D10-R12 IonicContact OD2-CZ 2.96Å; D10-R12 IonicContact OD2-NE 3.8Å; D10-R12 PolarHBondContact OD2-NE 3.23Å; D10-R12 IonicContact OD2-NH2 3.17Å; D10-R12 PolarHBondContact OD2-NH2 2.91Å; D10-I13 HydrophobicContact CB-CB 4.19Å; D10-I13 HydrophobicContact CB-CD1 3.93Å; D10-I13 HydrophobicContact CB-CG1 3.91Å; D10-I13 PolarHBondContact O-N 2.85Å; D10-L14 PolarHBondContact O-N 3.3Å; D10-L14 VanDerWaalsContact O-N 3.07Å
11P95.2Very high94.4Very high80 Ų8044.7 Ų44.752%0.51922%0.223SC..Hα-helixtrans-62.3-21.5179.426.3-35.3000113D9 N15D9-P11 VanDerWaalsContact O-CD 3.27Å; D9-P11 WeakPolarHBondContact O-CD 3.31Å; P11-N15 VanDerWaalsContact O-CB 3.32Å; P11-N15 WeakPolarHBondContact O-CB 3.3Å; P11-N15 PolarHBondContact O-N 3.32Å; P11-N15 PolarHBondContact O-ND2 3.23Å
12R95.2Very high95Very high184 Ų18444.5 Ų44.569%0.69422%0.221SC*.Hα-helixtrans-70.7-40.2174.8-57.6169.7-66.6-174.22.1110.5D10 Y16D10-R12 PolarHBondContact O-N 2.83Å; D10-R12 WeakPolarHBondContact OD1-CA 3.47Å; D10-R12 WeakPolarHBondContact OD1-CB 3.47Å; D10-R12 WeakPolarHBondContact OD1-CG 3.11Å; D10-R12 IonicContact OD1-CZ 3.74Å; D10-R12 PolarHBondContact OD1-N 2.92Å; D10-R12 IonicContact OD1-NE 2.89Å; D10-R12 PolarHBondContact OD1-NE 3.47Å; D10-R12 IonicContact OD1-NH2 2.89Å; D10-R12 IonicContact OD2-CZ 2.96Å; D10-R12 IonicContact OD2-NE 3.8Å; D10-R12 PolarHBondContact OD2-NE 3.23Å; D10-R12 IonicContact OD2-NH2 3.17Å; D10-R12 PolarHBondContact OD2-NH2 2.91Å; R12-Y16 WeakPolarHBondContact O-CB 3.35Å; R12-Y16 PolarHBondContact O-N 3.44Å
13I94.6Very high95.1Very high33 Ų3348.2 Ų48.217%0.16924%0.243CC..Hα-helixtrans-67.3-46176.1-63.5179.8000109.7D8 D10 N15 Y16 I17 L78 K101D8-I13 HydrophobicContact CB-CG2 4.3Å; D8-I13 WeakPolarHBondContact OD2-CG2 3.44Å; D10-I13 HydrophobicContact CB-CB 4.19Å; D10-I13 HydrophobicContact CB-CD1 3.93Å; D10-I13 HydrophobicContact CB-CG1 3.91Å; D10-I13 PolarHBondContact O-N 2.85Å; I13-N15 PolarHBondContact O-N 3.36Å; I13-Y16 PolarHBondContact O-N 2.87Å; I13-I17 HydrophobicContact CG2-CD1 3.62Å; I13-I17 HydrophobicContact CG2-CG1 4.21Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 3.26Å; I13-L78 HydrophobicContact CG2-CD1 4.44Å; I13-K101 HydrophobicContact CD1-CD 4.22Å
14L97.3Very high94.6Very high12 Ų1249.7 Ų49.76%0.06325%0.251CS..Hα-helixtrans-53.5-52.1175-69-177.8000112V6 D8 D10 A18 T30V6-L14 HydrophobicContact CB-CD2 4.24Å; V6-L14 HydrophobicContact CG1-CD2 3.81Å; V6-L14 WeakPolarHBondContact O-CD2 3.46Å; D8-L14 HydrophobicContact CB-CD2 3.72Å; D8-L14 HydrophobicContact CB-CG 4.12Å; D8-L14 WeakPolarHBondContact O-CD1 3.31Å; D10-L14 PolarHBondContact O-N 3.3Å; D10-L14 VanDerWaalsContact O-N 3.07Å; L14-A18 WeakPolarHBondContact O-CB 3.23Å; L14-A18 PolarHBondContact O-N 3.4Å; L14-T30 HydrophobicContact CB-CG2 4.02Å; L14-T30 HydrophobicContact CD2-CG2 4.3Å
15N96.3Very high94Very high105 Ų10556.6 Ų56.656%0.56128%0.282SS*.Hα-helixtrans-66.7-38.5179.9-71.7-30.2000112.3P11 I13 S19P11-N15 VanDerWaalsContact O-CB 3.32Å; P11-N15 WeakPolarHBondContact O-CB 3.3Å; P11-N15 PolarHBondContact O-N 3.32Å; P11-N15 PolarHBondContact O-ND2 3.23Å; I13-N15 PolarHBondContact O-N 3.36Å; N15-S19 WeakPolarHBondContact O-CB 3.3Å; N15-S19 PolarHBondContact O-N 2.96Å; N15-S19 PolarHBondContact O-OG 3.01Å
16Y95.2Very high93.6Very high102 Ų10256.9 Ų56.940%0.428%0.284SS..Hα-helixtrans-62.8-48.7177.7-179.2-113.4000111.1R12 I13 S19 H20 V105R12-Y16 WeakPolarHBondContact O-CB 3.35Å; R12-Y16 PolarHBondContact O-N 3.44Å; I13-Y16 PolarHBondContact O-N 2.87Å; Y16-S19 PolarHBondContact O-OG 3.45Å; Y16-H20 AromaticContact CD2-CE1 3.57Å; Y16-H20 AromaticContact CD2-ND1 3.89Å; Y16-H20 AromaticContact CE2-CE1 3.23Å; Y16-H20 WeakPolarHBondContact CE2-CE1 3.48Å; Y16-H20 AromaticContact CE2-ND1 3.86Å; Y16-H20 AromaticContact CE2-NE2 3.98Å; Y16-H20 AromaticContact CZ-CE1 3.91Å; Y16-H20 PolarHBondContact O-N 2.9Å; Y16-H20 PolarHBondContact O-ND1 2.85Å; Y16-V105 HydrophobicContact CE1-CB 3.79Å; Y16-V105 HydrophobicContact CE1-CG1 4.34Å; Y16-V105 HydrophobicContact CE1-CG2 4.4Å
17I97.4Very high93.4Very high0 Ų059.8 Ų59.80%030%0.299CS..Hα-helixtrans-65.7-50.5177.2-63.5170.4000110.3V6 I13 S19 H20 L21 V50 L78 F103 L108V6-I17 HydrophobicContact CG1-CB 4.12Å; V6-I17 HydrophobicContact CG1-CD1 3.69Å; V6-I17 HydrophobicContact CG1-CG2 3.99Å; V6-I17 HydrophobicContact CG2-CG2 3.78Å; I13-I17 HydrophobicContact CG2-CD1 3.62Å; I13-I17 HydrophobicContact CG2-CG1 4.21Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 3.26Å; I17-S19 PolarHBondContact O-N 3.29Å; I17-H20 PolarHBondContact O-N 2.86Å; I17-H20 VanDerWaalsContact O-N 3.16Å; I17-L21 HydrophobicContact CG2-CD1 3.68Å; I17-L21 HydrophobicContact CG2-CG 3.96Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.45Å; I17-V50 HydrophobicContact CD1-CG1 4.4Å; I17-L78 HydrophobicContact CD1-CD1 3.92Å; I17-F103 HydrophobicContact CD1-CZ 3.99Å; I17-F103 HydrophobicContact CG1-CE2 4.33Å; I17-F103 HydrophobicContact CG1-CZ 4.22Å; I17-L108 HydrophobicContact CD1-CD2 3.98Å; I17-L108 HydrophobicContact CG1-CD2 4.03Å; I17-L108 HydrophobicContact CG2-CD2 4.04Å
18A96.3Very high93.3Very high11 Ų1160.8 Ų60.89%0.09131%0.308CS..Hα-helixtrans-59.5-43.4-174.500000112.9L14 H20 L21 Q22 A28 T30L14-A18 WeakPolarHBondContact O-CB 3.23Å; L14-A18 PolarHBondContact O-N 3.4Å; A18-H20 VanDerWaalsContact C-N 3.34Å; A18-H20 PolarHBondContact O-N 2.97Å; A18-L21 PolarHBondContact O-N 3.35Å; A18-Q22 WeakPolarHBondContact O-CG 3.34Å; A18-Q22 PolarHBondContact O-N 3.05Å; A18-Q22 VanDerWaalsContact O-N 3.07Å; A18-A28 HydrophobicContact CB-CB 3.75Å; A18-T30 HydrophobicContact CB-CG2 3.68Å
19S93.7Very high93.4Very high56 Ų5664 Ų6439%0.39232%0.321SS..Hα-helixtrans-61.3-40.8177.654.90000112.5N15 Y16 I17 T23N15-S19 WeakPolarHBondContact O-CB 3.3Å; N15-S19 PolarHBondContact O-N 2.96Å; N15-S19 PolarHBondContact O-OG 3.01Å; Y16-S19 PolarHBondContact O-OG 3.45Å; I17-S19 PolarHBondContact O-N 3.29Å; S19-T23 PolarHBondContact O-N 2.84Å
20H94.5Very high93.5Very high61 Ų6162.6 Ų62.628%0.28232%0.315SS..Hα-helixtrans-74.1-36.7178.3-70.380.7000112.4Y16 I17 A18 Q22 T23 E24 V105 I109Y16-H20 AromaticContact CD2-CE1 3.57Å; Y16-H20 AromaticContact CD2-ND1 3.89Å; Y16-H20 AromaticContact CE2-CE1 3.23Å; Y16-H20 WeakPolarHBondContact CE2-CE1 3.48Å; Y16-H20 AromaticContact CE2-ND1 3.86Å; Y16-H20 AromaticContact CE2-NE2 3.98Å; Y16-H20 AromaticContact CZ-CE1 3.91Å; Y16-H20 PolarHBondContact O-N 2.9Å; Y16-H20 PolarHBondContact O-ND1 2.85Å; I17-H20 PolarHBondContact O-N 2.86Å; I17-H20 VanDerWaalsContact O-N 3.16Å; A18-H20 VanDerWaalsContact C-N 3.34Å; A18-H20 PolarHBondContact O-N 2.97Å; H20-Q22 VanDerWaalsContact C-N 3.32Å; H20-Q22 PolarHBondContact O-N 3.09Å; H20-T23 PolarHBondContact O-N 2.82Å; H20-T23 PolarHBondContact O-OG1 3.49Å; H20-E24 PolarHBondContact O-N 2.78Å; H20-V105 HydrophobicContact CB-CB 4.45Å; H20-V105 HydrophobicContact CB-CG1 4.07Å; H20-V105 HydrophobicContact CB-CG2 3.59Å; H20-V105 WeakPolarHBondContact CD2-CG1 3.45Å; H20-I109 HydrophobicContact CB-CD1 4.39Å
21L94.5Very high93.7Very high1 Ų163 Ų631%0.00532%0.316CS..Hα-helixtrans-61.2-41.5174.9-71.4-177.7000112C4 V6 I17 A18 T23 E24 H25 I26 A28 I109 I112C4-L21 HydrophobicContact CB-CD1 3.91Å; V6-L21 HydrophobicContact CG2-CD1 3.97Å; I17-L21 HydrophobicContact CG2-CD1 3.68Å; I17-L21 HydrophobicContact CG2-CG 3.96Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.45Å; A18-L21 PolarHBondContact O-N 3.35Å; L21-T23 VanDerWaalsContact C-N 3.29Å; L21-T23 PolarHBondContact O-N 3.36Å; L21-E24 CarbonylContact O-C 3.31Å; L21-E24 WeakPolarHBondContact O-CA 3.36Å; L21-E24 PolarHBondContact O-N 3.07Å; L21-H25 PolarHBondContact O-N 2.86Å; L21-I26 CarbonylContact C-O 3.6Å; L21-I26 HydrophobicContact CB-CB 4.1Å; L21-I26 HydrophobicContact CB-CG2 4.27Å; L21-I26 HydrophobicContact CD1-CG2 4.36Å; L21-I26 HydrophobicContact CD2-CB 4.31Å; L21-I26 HydrophobicContact CD2-CD1 4.07Å; L21-I26 HydrophobicContact CD2-CG2 4.25Å; L21-I26 PolarHBondContact O-N 2.77Å; L21-I26 VanDerWaalsContact O-O 3.12Å; L21-A28 HydrophobicContact CB-CB 4.36Å; L21-A28 HydrophobicContact CD1-CB 4.07Å; L21-I109 HydrophobicContact CD2-CG1 4.06Å; L21-I112 HydrophobicContact CD2-CD1 3.7Å
22Q89.4Confident93.7Very high122 Ų12262.9 Ų62.957%0.5731%0.314SS*.Hα-helixtrans-60.1-38.5176.5-74.3176.3-400112.3A18 H20 E24 H25 I26A18-Q22 WeakPolarHBondContact O-CG 3.34Å; A18-Q22 PolarHBondContact O-N 3.05Å; A18-Q22 VanDerWaalsContact O-N 3.07Å; H20-Q22 VanDerWaalsContact C-N 3.32Å; H20-Q22 PolarHBondContact O-N 3.09Å; Q22-E24 PolarHBondContact O-N 2.8Å; Q22-H25 PolarHBondContact O-N 2.85Å; Q22-I26 PolarHBondContact N-O 3.46Å
23T86.6Confident93.8Very high97 Ų9755.4 Ų55.460%0.59529%0.29SS*.Hα-helixtrans-65.8-19.7175.364.20000113.5S19 H20 L21S19-T23 PolarHBondContact O-N 2.84Å; H20-T23 PolarHBondContact O-N 2.82Å; H20-T23 PolarHBondContact O-OG1 3.49Å; L21-T23 VanDerWaalsContact C-N 3.29Å; L21-T23 PolarHBondContact O-N 3.36Å
24E83.1Confident93.9Very high66 Ų6653.8 Ų53.831%0.30828%0.282SS..THydrogen-bonded Turntrans-101.214.3178.8-63.7-70.5149.700112.9H20 L21 Q22 I26 I109 R113H20-E24 PolarHBondContact O-N 2.78Å; L21-E24 CarbonylContact O-C 3.31Å; L21-E24 WeakPolarHBondContact O-CA 3.36Å; L21-E24 PolarHBondContact O-N 3.07Å; Q22-E24 PolarHBondContact O-N 2.8Å; E24-I26 VanDerWaalsContact C-N 3.29Å; E24-I26 PolarHBondContact O-N 2.85Å; E24-I109 HydrophobicContact CG-CD1 3.77Å; E24-I109 HydrophobicContact CG-CG1 4.37Å; E24-I109 HydrophobicContact CG-CG2 4.11Å; E24-R113 IonicContact OE2-CZ 2.87Å; E24-R113 IonicContact OE2-NH1 3.58Å; E24-R113 PolarHBondContact OE2-NH1 3.24Å; E24-R113 IonicContact OE2-NH2 2.7Å; E24-R113 PolarHBondContact OE2-NH2 2.92Å
25H83.2Confident93.9Very high144 Ų14456.9 Ų56.967%0.66730%0.296SS*.THydrogen-bonded Turntrans58.138.2-177.3-52-61.5000113.5M1 L21 Q22M1-H25 WeakPolarHBondContact CG-O 3.17Å; L21-H25 PolarHBondContact O-N 2.86Å; Q22-H25 PolarHBondContact O-N 2.85Å
26I90.2Very high93.9Very high6 Ų652.9 Ų52.93%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-115.1119.9170.6-60173.9000107.2V2 C4 L21 Q22 E24 I112V2-I26 HydrophobicContact CB-CG1 4.32Å; V2-I26 HydrophobicContact CB-CG2 4.26Å; V2-I26 HydrophobicContact CG1-CG2 4.02Å; C4-I26 HydrophobicContact CB-CG2 3.58Å; L21-I26 CarbonylContact C-O 3.6Å; L21-I26 HydrophobicContact CB-CB 4.1Å; L21-I26 HydrophobicContact CB-CG2 4.27Å; L21-I26 HydrophobicContact CD1-CG2 4.36Å; L21-I26 HydrophobicContact CD2-CB 4.31Å; L21-I26 HydrophobicContact CD2-CD1 4.07Å; L21-I26 HydrophobicContact CD2-CG2 4.25Å; L21-I26 PolarHBondContact O-N 2.77Å; L21-I26 VanDerWaalsContact O-O 3.12Å; Q22-I26 PolarHBondContact N-O 3.46Å; E24-I26 VanDerWaalsContact C-N 3.29Å; E24-I26 PolarHBondContact O-N 2.85Å; I26-I112 HydrophobicContact CD1-CG2 4.02Å
27D93.8Very high94.1Very high61 Ų6148 Ų4833%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-74.9132.9176-71.4-39000109.1M1 V2 Q3 C4M1-D27 VanDerWaalsContact SD-CG 3.5Å; M1-D27 VanDerWaalsContact SD-OD1 3.37Å; M1-D27 VanDerWaalsContact SD-OD2 3.34Å; V2-D27 PolarHBondContact O-N 3.49Å; Q3-D27 PolarHBondContact NE2-OD2 2.85Å; Q3-D27 VanDerWaalsContact OE1-CB 3.28Å; C4-D27 PolarHBondContact N-O 3.13Å
28A96.1Very high94.1Very high22 Ų2249.5 Ų49.518%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-112122.6-177.500000111.2C4 A18 L21C4-A28 CarbonylContact O-C 3.57Å; C4-A28 WeakPolarHBondContact O-CA 3.22Å; A18-A28 HydrophobicContact CB-CB 3.75Å; L21-A28 HydrophobicContact CB-CB 4.36Å; L21-A28 HydrophobicContact CD1-CB 4.07Å
29Y97.7Very high94.1Very high68 Ų6855.6 Ų55.627%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-96.6111163.5-66.1-63.8000108.6Q3 C4 L5 V6 L40 Q44 V46Q3-Y29 HydrophobicContact CB-CE2 4.1Å; Q3-Y29 HydrophobicContact CG-CE2 4.33Å; Q3-Y29 VanDerWaalsContact OE1-CE2 3.22Å; Q3-Y29 PolarHBondContact OE1-OH 3.17Å; C4-Y29 PolarHBondContact O-N 3.01Å; L5-Y29 CarbonylContact C-O 3.5Å; L5-Y29 WeakPolarHBondContact CA-O 3.13Å; L5-Y29 WeakPolarHBondContact CD1-O 3.27Å; V6-Y29 PolarHBondContact N-O 2.82Å; Y29-L40 HydrophobicContact CD1-CD1 4.1Å; Y29-L40 HydrophobicContact CD2-CD2 4.48Å; Y29-L40 HydrophobicContact CG-CD1 4.09Å; Y29-L40 HydrophobicContact CG-CD2 4.31Å; Y29-Q44 HydrophobicContact CE1-CG 4.46Å; Y29-Q44 HydrophobicContact CE2-CB 4.39Å; Y29-Q44 PolarHBondContact OH-OE1 3.39Å; Y29-V46 HydrophobicContact CD2-CG2 4.08Å
30T98.3Very high94.2Very high49 Ų4954 Ų5430%0.30128%0.278SS..EExtended strand (participates in β ladder)trans-92.9139.3177.255.60000110.7V6 L14 A18V6-T30 HydrophobicContact CB-CG2 4.34Å; V6-T30 CarbonylContact O-C 3.58Å; V6-T30 WeakPolarHBondContact O-CA 3.28Å; L14-T30 HydrophobicContact CB-CG2 4.02Å; L14-T30 HydrophobicContact CD2-CG2 4.3Å; A18-T30 HydrophobicContact CB-CG2 3.68Å
31Q98.3Very high94.2Very high44 Ų4451.9 Ų51.921%0.20627%0.269CS..EExtended strand (participates in β ladder)trans-139.9139175.8-67.7-62.2-42.900110.3L5 V6 V7 D8 A36 A37 L40L5-Q31 HydrophobicContact CD1-CB 4.32Å; L5-Q31 HydrophobicContact CD1-CG 3.89Å; V6-Q31 PolarHBondContact O-N 2.91Å; V7-Q31 VanDerWaalsContact CA-O 3.32Å; V7-Q31 WeakPolarHBondContact CA-O 2.87Å; D8-Q31 PolarHBondContact N-O 2.65Å; Q31-A36 HydrophobicContact CB-CB 4.32Å; Q31-A36 PolarHBondContact OE1-O 3.24Å; Q31-A37 HydrophobicContact CB-CB 4.2Å; Q31-A37 HydrophobicContact CG-CB 4.46Å; Q31-L40 HydrophobicContact CG-CB 4.35Å; Q31-L40 HydrophobicContact CG-CD1 4.1Å; Q31-L40 VanDerWaalsContact NE2-CD1 3.29Å
32P96.7Very high94Very high76 Ų7658.9 Ų58.949%0.49430%0.301SS..SBendtrans-85.1-6-174.734.6-37.1000114.2D8 A36D8-P32 WeakPolarHBondContact O-CA 3.36Å; P32-A36 HydrophobicContact CG-CB 4.49Å
33S97.2Very high94.1Very high27 Ų2761.3 Ų61.319%0.18931%0.31CS..SBendtrans-156.4163.1-179.288.80000112.2E35 A36 A37S33-E35 VanDerWaalsContact C-N 3.34Å; S33-E35 VanDerWaalsContact CB-OE2 3.31Å; S33-E35 WeakPolarHBondContact CB-OE2 3.19Å; S33-E35 PolarHBondContact O-N 2.9Å; S33-E35 PolarHBondContact OG-N 3.29Å; S33-E35 PolarHBondContact OG-OE2 2.85Å; S33-A36 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact OG-N 3.36Å; S33-A37 WeakPolarHBondContact O-CB 3.49Å; S33-A37 PolarHBondContact O-N 2.92Å
34G96Very high94.1Very high0 Ų060.9 Ų60.90%030%0.301CS..Hα-helixtrans-61-38.6176.300000113.7A36 A37 L38G34-A36 PolarHBondContact O-N 3.17Å; G34-A37 WeakPolarHBondContact O-CB 3.27Å; G34-A37 PolarHBondContact O-N 3.02Å; G34-L38 WeakPolarHBondContact O-CG 3.37Å; G34-L38 PolarHBondContact O-N 2.72Å
35E96.9Very high94.2Very high76 Ų7661.7 Ų61.736%0.35530%0.302SS..Hα-helixtrans-67.2-37.8177.8-54.681.6178.800111.9S33 K39 M58S33-E35 VanDerWaalsContact C-N 3.34Å; S33-E35 VanDerWaalsContact CB-OE2 3.31Å; S33-E35 WeakPolarHBondContact CB-OE2 3.19Å; S33-E35 PolarHBondContact O-N 2.9Å; S33-E35 PolarHBondContact OG-N 3.29Å; S33-E35 PolarHBondContact OG-OE2 2.85Å; E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.38Å; E35-K39 VanDerWaalsContact O-N 3.14Å; E35-M58 VanDerWaalsContact OE1-CB 3.3Å; E35-M58 WeakPolarHBondContact OE1-CB 3.17Å; E35-M58 PolarHBondContact OE1-N 3.49Å
36A97.5Very high94.6Very high22 Ų2255.2 Ų55.218%0.18227%0.272CS..Hα-helixtrans-69-39176.700000111.1Q31 P32 S33 G34 K39 L40Q31-A36 HydrophobicContact CB-CB 4.32Å; Q31-A36 PolarHBondContact OE1-O 3.24Å; P32-A36 HydrophobicContact CG-CB 4.49Å; S33-A36 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact OG-N 3.36Å; G34-A36 PolarHBondContact O-N 3.17Å; A36-K39 PolarHBondContact O-N 2.98Å; A36-L40 PolarHBondContact O-N 2.84Å
37A98Very high94.5Very high0 Ų055.9 Ų55.90%028%0.276CS..Hα-helixtrans-57.9-49.4171.200000113L5 V7 Q31 S33 G34 K39 L40 L41 L63L5-A37 HydrophobicContact CD1-CB 4.36Å; L5-A37 HydrophobicContact CD2-CB 4.03Å; V7-A37 HydrophobicContact CG1-CB 4.24Å; V7-A37 HydrophobicContact CG2-CB 3.73Å; Q31-A37 HydrophobicContact CB-CB 4.2Å; Q31-A37 HydrophobicContact CG-CB 4.46Å; S33-A37 WeakPolarHBondContact O-CB 3.49Å; S33-A37 PolarHBondContact O-N 2.92Å; G34-A37 WeakPolarHBondContact O-CB 3.27Å; G34-A37 PolarHBondContact O-N 3.02Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.95Å; A37-L40 WeakPolarHBondContact O-CB 3.33Å; A37-L40 PolarHBondContact O-N 2.8Å; A37-L40 VanDerWaalsContact O-N 3.12Å; A37-L41 WeakPolarHBondContact O-CG 3.48Å; A37-L41 PolarHBondContact O-N 3.08Å; A37-L41 VanDerWaalsContact O-N 3.08Å; A37-L63 HydrophobicContact CB-CD1 4.31Å; A37-L63 HydrophobicContact CB-CD2 4.23Å
38L97.3Very high94.5Very high31 Ų3153 Ų5316%0.16226%0.26CS..Hα-helixtrans-63.5-39.8179.2-66.8179.7000112.3G34 L40 L41 E42 M58 L63 T66 Y71G34-L38 WeakPolarHBondContact O-CG 3.37Å; G34-L38 PolarHBondContact O-N 2.72Å; L38-L40 VanDerWaalsContact C-N 3.29Å; L38-L40 PolarHBondContact O-N 3.17Å; L38-L41 HydrophobicContact CD2-CD1 4.39Å; L38-L41 PolarHBondContact O-N 3.45Å; L38-L41 VanDerWaalsContact O-N 3.16Å; L38-E42 PolarHBondContact O-N 2.8Å; L38-M58 HydrophobicContact CD1-CE 3.73Å; L38-M58 HydrophobicContact CD1-SD 3.95Å; L38-L63 HydrophobicContact CD2-CD1 3.89Å; L38-L63 HydrophobicContact CG-CD1 4.06Å; L38-T66 HydrophobicContact CD1-CG2 4.24Å; L38-T66 HydrophobicContact CD2-CG2 3.71Å; L38-Y71 HydrophobicContact CD2-CE2 3.88Å
39K96.6Very high94.6Very high138 Ų13852 Ų5260%0.625%0.252SS*.Hα-helixtrans-61.8-35.7173.5-75.1175.8-177.2172.70112.8E35 A36 A37 L41 E42E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.38Å; E35-K39 VanDerWaalsContact O-N 3.14Å; A36-K39 PolarHBondContact O-N 2.98Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.95Å; K39-L41 VanDerWaalsContact C-N 3.35Å; K39-E42 WeakPolarHBondContact O-CB 3.41Å; K39-E42 PolarHBondContact O-N 3.23Å
40L96.3Very high94.6Very high24 Ų2448.7 Ų48.713%0.12624%0.239CC..Hα-helixtrans-65.4-41.4175.1179141.8000110.9L5 Y29 Q31 A36 A37 L38 E42 K43 Q44 V46L5-L40 HydrophobicContact CD1-CD2 4.39Å; Y29-L40 HydrophobicContact CD1-CD1 4.1Å; Y29-L40 HydrophobicContact CD2-CD2 4.48Å; Y29-L40 HydrophobicContact CG-CD1 4.09Å; Y29-L40 HydrophobicContact CG-CD2 4.31Å; Q31-L40 HydrophobicContact CG-CB 4.35Å; Q31-L40 HydrophobicContact CG-CD1 4.1Å; Q31-L40 VanDerWaalsContact NE2-CD1 3.29Å; A36-L40 PolarHBondContact O-N 2.84Å; A37-L40 WeakPolarHBondContact O-CB 3.33Å; A37-L40 PolarHBondContact O-N 2.8Å; A37-L40 VanDerWaalsContact O-N 3.12Å; L38-L40 VanDerWaalsContact C-N 3.29Å; L38-L40 PolarHBondContact O-N 3.17Å; L40-E42 PolarHBondContact O-N 2.98Å; L40-K43 PolarHBondContact O-N 2.88Å; L40-Q44 HydrophobicContact CD2-CB 3.79Å; L40-Q44 HydrophobicContact CD2-CG 4.36Å; L40-Q44 HydrophobicContact CG-CB 4.11Å; L40-Q44 HydrophobicContact CG-CG 4.16Å; L40-Q44 PolarHBondContact O-N 3.41Å; L40-V46 HydrophobicContact CD2-CG2 4.11Å
41L94.1Very high94.5Very high16 Ų1646.4 Ų46.48%0.08423%0.225CC..Hα-helixtrans-67.8-16.3-179.8-67.1174.3000114.2L5 A37 L38 K39 K43 Q44 V46 L67 Y71 I73L5-L41 HydrophobicContact CD2-CD1 4.41Å; A37-L41 WeakPolarHBondContact O-CG 3.48Å; A37-L41 PolarHBondContact O-N 3.08Å; A37-L41 VanDerWaalsContact O-N 3.08Å; L38-L41 HydrophobicContact CD2-CD1 4.39Å; L38-L41 PolarHBondContact O-N 3.45Å; L38-L41 VanDerWaalsContact O-N 3.16Å; K39-L41 VanDerWaalsContact C-N 3.35Å; L41-K43 PolarHBondContact O-N 3.47Å; L41-Q44 WeakPolarHBondContact CA-O 3.43Å; L41-V46 HydrophobicContact CD2-CB 3.9Å; L41-V46 HydrophobicContact CD2-CG2 3.64Å; L41-L67 HydrophobicContact CD1-CD2 3.23Å; L41-Y71 HydrophobicContact CB-CD1 4.19Å; L41-Y71 HydrophobicContact CB-CE1 3.66Å; L41-Y71 HydrophobicContact CD1-CD1 4.26Å; L41-Y71 HydrophobicContact CD1-CD2 4.33Å; L41-Y71 HydrophobicContact CD1-CE1 4.28Å; L41-Y71 HydrophobicContact CD1-CE2 4.36Å; L41-Y71 HydrophobicContact CD1-CG 4.28Å; L41-I73 HydrophobicContact CD1-CD1 4.01Å; L41-I73 HydrophobicContact CD2-CD1 3.72Å
42E91.8Very high94.3Very high147 Ų14744.7 Ų44.769%0.68722%0.217SC*.THydrogen-bonded Turntrans-64.7-23.8168.6-64177.7-17900112.6L38 K39 L40L38-E42 PolarHBondContact O-N 2.8Å; K39-E42 WeakPolarHBondContact O-CB 3.41Å; K39-E42 PolarHBondContact O-N 3.23Å; L40-E42 PolarHBondContact O-N 2.98Å
43K89.6Confident94Very high173 Ų17341.3 Ų41.375%0.75220%0.195SC*.THydrogen-bonded Turntrans-122.1-29.5-171.1-61178.4-174.5174.30113.7L40 L41L40-K43 PolarHBondContact O-N 2.88Å; L41-K43 PolarHBondContact O-N 3.47Å
44Q88.2Confident93.5Very high88 Ų8845.9 Ų45.941%0.41122%0.215SC..  trans-119.4143.9-174-59.7-60-20.400110.3Y29 L40 L41Y29-Q44 HydrophobicContact CE1-CG 4.46Å; Y29-Q44 HydrophobicContact CE2-CB 4.39Å; Y29-Q44 PolarHBondContact OH-OE1 3.39Å; L40-Q44 HydrophobicContact CD2-CB 3.79Å; L40-Q44 HydrophobicContact CD2-CG 4.36Å; L40-Q44 HydrophobicContact CG-CB 4.11Å; L40-Q44 HydrophobicContact CG-CG 4.16Å; L40-Q44 PolarHBondContact O-N 3.41Å; L41-Q44 WeakPolarHBondContact CA-O 3.43Å
45R84.2Confident93.3Very high84 Ų8446.7 Ų46.732%0.31722%0.219SC..  trans-91.3142.4170.4-177-173.2166.6-166.5-4.4109.1D47 Y138R45-D47 IonicContact CZ-OD1 3.98Å; R45-D47 IonicContact NE-OD1 3.73Å; R45-D47 IonicContact NH2-OD1 2.98Å; R45-D47 PolarHBondContact NH2-OD1 3.39Å; R45-Y138 PolarHBondContact NH1-O 3.33Å; R45-Y138 PolarHBondContact NH2-O 3.49Å
46V91.7Very high92.8Very high8 Ų850 Ų505%0.04824%0.239CC..  trans-128.8142.3175.8172.10000108.2Q3 L5 Y29 L40 L41 I48 I73Q3-V46 WeakPolarHBondContact O-CG1 3.32Å; L5-V46 HydrophobicContact CB-CB 4.29Å; L5-V46 HydrophobicContact CB-CG1 3.51Å; L5-V46 HydrophobicContact CB-CG2 3.92Å; Y29-V46 HydrophobicContact CD2-CG2 4.08Å; L40-V46 HydrophobicContact CD2-CG2 4.11Å; L41-V46 HydrophobicContact CD2-CB 3.9Å; L41-V46 HydrophobicContact CD2-CG2 3.64Å; V46-I48 WeakPolarHBondContact CG1-O 3.43Å; V46-I73 HydrophobicContact CB-CD1 4.25Å; V46-I73 HydrophobicContact CG1-CG2 4.36Å
47D89.1Confident92.5Very high20 Ų2052.1 Ų52.111%0.10726%0.263CS..SBendtrans-96.7-24.1179.9-59.6-52.4000112.9V2 Q3 R45 P74 L116 I121V2-D47 HydrophobicContact CG1-CB 4.21Å; Q3-D47 PolarHBondContact N-OD2 2.97Å; Q3-D47 PolarHBondContact O-N 2.93Å; R45-D47 IonicContact CZ-OD1 3.98Å; R45-D47 IonicContact NE-OD1 3.73Å; R45-D47 IonicContact NH2-OD1 2.98Å; R45-D47 PolarHBondContact NH2-OD1 3.39Å; D47-P74 VanDerWaalsContact O-CD 3.26Å; D47-P74 WeakPolarHBondContact O-CD 3.47Å; D47-P74 WeakPolarHBondContact O-CG 3.42Å; D47-L116 HydrophobicContact CB-CD2 4.29Å; D47-I121 HydrophobicContact CB-CD1 4.41Å; D47-I121 HydrophobicContact CB-CG2 4.33Å; D47-I121 WeakPolarHBondContact O-CD1 3.48Å
48I94Very high92.2Very high0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-156.1148.3177-171.5166000110.7V2 Q3 C4 L5 V46 P74 I76 I112 V115 L116V2-I48 HydrophobicContact CG1-CG2 4.36Å; Q3-I48 PolarHBondContact O-N 3.42Å; C4-I48 CarbonylContact C-O 3.59Å; C4-I48 WeakPolarHBondContact CA-O 3.25Å; C4-I48 HydrophobicContact CB-CG2 4.01Å; L5-I48 PolarHBondContact N-O 3.45Å; V46-I48 WeakPolarHBondContact CG1-O 3.43Å; I48-P74 HydrophobicContact CB-CG 4.2Å; I48-P74 HydrophobicContact CG1-CB 4.5Å; I48-P74 HydrophobicContact CG1-CG 4.17Å; I48-P74 WeakPolarHBondContact CG1-O 3.35Å; I48-I76 HydrophobicContact CD1-CD1 3.94Å; I48-I76 HydrophobicContact CD1-CG1 4.19Å; I48-I112 HydrophobicContact CD1-CB 4.32Å; I48-I112 HydrophobicContact CD1-CG1 4.27Å; I48-I112 HydrophobicContact CD1-CG2 4.16Å; I48-I112 HydrophobicContact CG2-CG2 4.24Å; I48-V115 HydrophobicContact CD1-CB 3.92Å; I48-V115 HydrophobicContact CD1-CG1 3.83Å; I48-L116 HydrophobicContact CB-CD2 3.92Å; I48-L116 HydrophobicContact CD1-CD2 4.42Å; I48-L116 HydrophobicContact CD1-CG 4.23Å; I48-L116 HydrophobicContact CG2-CD2 4Å; I48-L116 HydrophobicContact CG2-CG 4.46Å
49A96.9Very high91.9Very high0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-116.6140.7173.600000112L5 V51 L67 I73 P74 V75 I76L5-A49 HydrophobicContact CB-CB 4.17Å; L5-A49 HydrophobicContact CD2-CB 4.28Å; L5-A49 HydrophobicContact CG-CB 4.49Å; L5-A49 CarbonylContact O-C 3.52Å; L5-A49 VanDerWaalsContact O-CA 3.3Å; L5-A49 WeakPolarHBondContact O-CA 3.39Å; A49-V51 HydrophobicContact CB-CG2 3.96Å; A49-L67 HydrophobicContact CB-CD1 3.6Å; A49-I73 HydrophobicContact CB-CG2 4.06Å; A49-P74 PolarHBondContact N-O 3.08Å; A49-V75 HydrophobicContact CB-CG2 4.39Å; A49-V75 WeakPolarHBondContact O-CA 3.22Å; A49-I76 PolarHBondContact O-N 2.79Å
50V97.8Very high91.6Very high0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-111.2117.5166179.50000106.7L5 V6 V7 I17 I76 L78 L108 I112L5-V50 PolarHBondContact O-N 3.41Å; V6-V50 CarbonylContact C-O 3.46Å; V6-V50 WeakPolarHBondContact CA-O 3.31Å; V6-V50 HydrophobicContact CG1-CB 4.47Å; V7-V50 PolarHBondContact N-O 2.57Å; I17-V50 HydrophobicContact CD1-CG1 4.4Å; V50-I76 CarbonylContact C-O 3.59Å; V50-I76 VanDerWaalsContact CA-O 3.32Å; V50-I76 WeakPolarHBondContact CA-O 3.34Å; V50-L78 HydrophobicContact CG1-CD1 3.73Å; V50-L78 HydrophobicContact CG1-CD2 3.66Å; V50-L78 HydrophobicContact CG1-CG 3.6Å; V50-L108 HydrophobicContact CG1-CD1 4.1Å; V50-L108 HydrophobicContact CG1-CD2 4.17Å; V50-L108 HydrophobicContact CG2-CD1 4.08Å; V50-I112 HydrophobicContact CG2-CD1 3.9Å; V50-I112 HydrophobicContact CG2-CG1 4.2Å
51V96.7Very high91.3Very high0 Ų049.2 Ų49.20%025%0.252CS..EExtended strand (participates in β ladder)trans-128.5123.6-167.5175.60000110.2V7 A49 M55 L63 L67 V75 I76 M77 L78V7-V51 HydrophobicContact CB-CG2 4.4Å; V7-V51 HydrophobicContact CG2-CG2 4.27Å; V7-V51 CarbonylContact O-C 3.55Å; A49-V51 HydrophobicContact CB-CG2 3.96Å; V51-M55 HydrophobicContact CG1-CE 4.22Å; V51-L63 HydrophobicContact CB-CD2 4.45Å; V51-L63 HydrophobicContact CG1-CB 4.47Å; V51-L63 HydrophobicContact CG1-CD2 3.73Å; V51-L63 HydrophobicContact CG1-CG 4.4Å; V51-L63 HydrophobicContact CG2-CD2 3.82Å; V51-L63 HydrophobicContact CG2-CG 4.5Å; V51-L67 HydrophobicContact CG2-CD1 4Å; V51-V75 HydrophobicContact CB-CG1 4.04Å; V51-V75 HydrophobicContact CG2-CG1 3.8Å; V51-I76 PolarHBondContact N-O 3.3Å; V51-M77 HydrophobicContact CB-SD 4.06Å; V51-M77 HydrophobicContact CG1-CE 4.27Å; V51-M77 HydrophobicContact CG1-SD 4.29Å; V51-M77 CarbonylContact O-C 3.54Å; V51-M77 WeakPolarHBondContact O-CA 3.48Å; V51-L78 PolarHBondContact O-N 3.39Å
52D94Very high91.2Very high9 Ų953.4 Ų53.45%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-69.2140.4169-163.329.3000111.8V7 D8 M55 G60 K101V7-D52 PolarHBondContact O-N 3.31Å; D8-D52 HydrophobicContact CB-CB 4.13Å; D8-D52 WeakPolarHBondContact OD2-CB 3.27Å; D52-M55 HydrophobicContact CB-CG 4.23Å; D52-M55 HydrophobicContact CB-SD 4.47Å; D52-M55 WeakPolarHBondContact O-CE 3.27Å; D52-G60 WeakPolarHBondContact O-CA 3.2Å; D52-K101 VanDerWaalsContact OD1-CE 3.27Å; D52-K101 WeakPolarHBondContact OD1-CE 3.43Å; D52-K101 IonicContact OD1-NZ 3.35Å; D52-K101 PolarHBondContact OD1-NZ 2.9Å; D52-K101 IonicContact OD2-NZ 2.72Å; D52-K101 PolarHBondContact OD2-NZ 3.35Å
53I90.2Very high91.3Very high4 Ų446.4 Ų46.42%0.02124%0.238CC..SBendtrans-71.4-48.1179.2-73.6172.2000111M55 G60 F61 M77 L78 T79 I92I53-M55 PolarHBondContact O-N 3.06Å; I53-G60 PolarHBondContact O-N 3.04Å; I53-F61 HydrophobicContact CD1-CE1 4.18Å; I53-F61 HydrophobicContact CD1-CZ 3.8Å; I53-F61 HydrophobicContact CG1-CE1 4.32Å; I53-F61 HydrophobicContact CG1-CE2 4.48Å; I53-F61 HydrophobicContact CG1-CZ 4.08Å; I53-F61 HydrophobicContact CG2-CD2 4.01Å; I53-F61 HydrophobicContact CG2-CE2 3.39Å; I53-F61 HydrophobicContact CG2-CZ 3.76Å; I53-M77 HydrophobicContact CB-CE 4.43Å; I53-M77 HydrophobicContact CD1-CB 4.43Å; I53-M77 HydrophobicContact CD1-CE 4.36Å; I53-M77 HydrophobicContact CG1-CB 4.34Å; I53-M77 HydrophobicContact CG1-CE 3.38Å; I53-L78 VanDerWaalsContact CG1-O 3.28Å; I53-L78 WeakPolarHBondContact CG1-O 3.39Å; I53-L78 PolarHBondContact N-O 3Å; I53-T79 VanDerWaalsContact CD1-CB 3.42Å; I53-I92 HydrophobicContact CD1-CD1 3.88Å; I53-I92 HydrophobicContact CD1-CG1 4.45Å
54M87.9Confident91.4Very high124 Ų12438.5 Ų38.561%0.61121%0.205SC*.  trans-94.4100.6-171.1-61.8-61.2-69.300108.9
55M90Very high91.5Very high16 Ų1639.1 Ų39.18%0.07921%0.211CC..  trans-134.5148.3173.8-63.8-176.7-64.300109.2V7 D9 V51 D52 I53 L63V7-M55 HydrophobicContact CB-SD 4.44Å; V7-M55 HydrophobicContact CG1-CE 4Å; V7-M55 HydrophobicContact CG1-SD 3.65Å; D9-M55 HydrophobicContact CB-CG 4.46Å; V51-M55 HydrophobicContact CG1-CE 4.22Å; D52-M55 HydrophobicContact CB-CG 4.23Å; D52-M55 HydrophobicContact CB-SD 4.47Å; D52-M55 WeakPolarHBondContact O-CE 3.27Å; I53-M55 PolarHBondContact O-N 3.06Å; M55-L63 HydrophobicContact CE-CD2 4.43Å
56D86.9Confident91.8Very high145 Ų14536.5 Ų36.578%0.77520%0.204SC*.SBendtrans-66.6137.3171.4-80-18.3000110.9
57G92.3Very high91.8Very high67 Ų6736.1 Ų36.169%0.69120%0.202SC*.SBendtrans85.9-119.8-178.300000111.9D59G57-D59 PolarHBondContact O-N 3.41Å
58M91.5Very high91.7Very high37 Ų3738.2 Ų38.218%0.18221%0.21CC..SBendtrans-69.3112.4172.4-179.3179-67.200110.6E35 L38 Q62 L63E35-M58 VanDerWaalsContact OE1-CB 3.3Å; E35-M58 WeakPolarHBondContact OE1-CB 3.17Å; E35-M58 PolarHBondContact OE1-N 3.49Å; L38-M58 HydrophobicContact CD1-CE 3.73Å; L38-M58 HydrophobicContact CD1-SD 3.95Å; M58-Q62 HydrophobicContact CG-CB 3.82Å; M58-L63 HydrophobicContact CG-CB 4.37Å; M58-L63 HydrophobicContact SD-CB 4.04Å; M58-L63 HydrophobicContact SD-CD1 4.28Å
59D90.1Very high91.1Very high55 Ų5543.4 Ų43.429%0.29424%0.238SC..  trans-70165.2176.571.737.2000112.2G57 F61 Q62 L63G57-D59 PolarHBondContact O-N 3.41Å; D59-F61 PolarHBondContact O-N 3.19Å; D59-F61 WeakPolarHBondContact OD1-CA 3.5Å; D59-F61 WeakPolarHBondContact OD1-CB 3.44Å; D59-F61 PolarHBondContact OD1-N 3.33Å; D59-Q62 PolarHBondContact O-N 3.06Å; D59-Q62 WeakPolarHBondContact OD1-CG 3.26Å; D59-Q62 PolarHBondContact OD1-N 2.77Å; D59-L63 PolarHBondContact O-N 3.33Å; D59-L63 VanDerWaalsContact O-N 3.09Å
60G91.2Very high90.6Very high0 Ų049.1 Ų49.10%027%0.268CS..Hα-helixtrans-62.4-28.3-179.200000113.7D52 I53 C64 M77D52-G60 WeakPolarHBondContact O-CA 3.2Å; I53-G60 PolarHBondContact O-N 3.04Å; G60-C64 WeakPolarHBondContact O-CB 3.29Å; G60-C64 PolarHBondContact O-N 2.88Å; G60-M77 WeakPolarHBondContact O-CE 3.43Å
61F89.8Confident90Very high40 Ų4053.1 Ų53.118%0.17528%0.284CS..Hα-helixtrans-71.5-44179.5-66.6-62.3000111.5I53 D59 L63 C64 N65 M77 E88 F91 I92I53-F61 HydrophobicContact CD1-CE1 4.18Å; I53-F61 HydrophobicContact CD1-CZ 3.8Å; I53-F61 HydrophobicContact CG1-CE1 4.32Å; I53-F61 HydrophobicContact CG1-CE2 4.48Å; I53-F61 HydrophobicContact CG1-CZ 4.08Å; I53-F61 HydrophobicContact CG2-CD2 4.01Å; I53-F61 HydrophobicContact CG2-CE2 3.39Å; I53-F61 HydrophobicContact CG2-CZ 3.76Å; D59-F61 PolarHBondContact O-N 3.19Å; D59-F61 WeakPolarHBondContact OD1-CA 3.5Å; D59-F61 WeakPolarHBondContact OD1-CB 3.44Å; D59-F61 PolarHBondContact OD1-N 3.33Å; F61-L63 VanDerWaalsContact C-N 3.34Å; F61-C64 PolarHBondContact O-N 3.24Å; F61-N65 WeakPolarHBondContact O-CB 3.24Å; F61-N65 PolarHBondContact O-N 2.83Å; F61-M77 HydrophobicContact CD1-CE 4.28Å; F61-M77 HydrophobicContact CE1-CE 4.48Å; F61-E88 HydrophobicContact CE2-CG 4.03Å; F61-E88 HydrophobicContact CZ-CB 4.17Å; F61-E88 HydrophobicContact CZ-CG 3.86Å; F61-F91 HydrophobicContact CD1-CB 4.14Å; F61-F91 HydrophobicContact CE1-CB 3.95Å; F61-I92 HydrophobicContact CE1-CG1 3.86Å; F61-I92 HydrophobicContact CZ-CG1 4.36Å
62Q91.3Very high89.3Confident104 Ų10454 Ų5449%0.48629%0.289SS..Hα-helixtrans-61.2-45174.4-70.3177.7-25.200110.9M58 D59 N65 T66M58-Q62 HydrophobicContact CG-CB 3.82Å; D59-Q62 PolarHBondContact O-N 3.06Å; D59-Q62 WeakPolarHBondContact OD1-CG 3.26Å; D59-Q62 PolarHBondContact OD1-N 2.77Å; Q62-N65 PolarHBondContact O-N 2.83Å; Q62-T66 PolarHBondContact O-N 3.06Å; Q62-T66 VanDerWaalsContact O-N 3.13Å; Q62-T66 PolarHBondContact O-OG1 2.92Å
63L94.2Very high89.1Confident0 Ų054.1 Ų54.10%029%0.289CS..Hα-helixtrans-61.6-50.1174.9177.562.8000110.8V7 A37 L38 V51 M55 M58 D59 F61 N65 T66 L67V7-L63 HydrophobicContact CB-CD2 4.08Å; V7-L63 HydrophobicContact CG1-CD2 4.01Å; V7-L63 HydrophobicContact CG2-CD2 3.87Å; A37-L63 HydrophobicContact CB-CD1 4.31Å; A37-L63 HydrophobicContact CB-CD2 4.23Å; L38-L63 HydrophobicContact CD2-CD1 3.89Å; L38-L63 HydrophobicContact CG-CD1 4.06Å; V51-L63 HydrophobicContact CB-CD2 4.45Å; V51-L63 HydrophobicContact CG1-CB 4.47Å; V51-L63 HydrophobicContact CG1-CD2 3.73Å; V51-L63 HydrophobicContact CG1-CG 4.4Å; V51-L63 HydrophobicContact CG2-CD2 3.82Å; V51-L63 HydrophobicContact CG2-CG 4.5Å; M55-L63 HydrophobicContact CE-CD2 4.43Å; M58-L63 HydrophobicContact CG-CB 4.37Å; M58-L63 HydrophobicContact SD-CB 4.04Å; M58-L63 HydrophobicContact SD-CD1 4.28Å; D59-L63 PolarHBondContact O-N 3.33Å; D59-L63 VanDerWaalsContact O-N 3.09Å; F61-L63 VanDerWaalsContact C-N 3.34Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 3.04Å; L63-T66 WeakPolarHBondContact O-CB 3.36Å; L63-T66 PolarHBondContact O-N 3.26Å; L63-L67 HydrophobicContact CD1-CD1 4.14Å; L63-L67 HydrophobicContact CD1-CD2 4.11Å; L63-L67 HydrophobicContact CD1-CG 3.88Å; L63-L67 HydrophobicContact CD2-CD1 4.3Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.04Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.37Å
64C91.8Very high89.1Confident8 Ų854 Ų545%0.05429%0.289CS..Hα-helixtrans-54.6-45.9179.1179.90000111.7G60 F61 T66 L67 K68 V75 M77G60-C64 WeakPolarHBondContact O-CB 3.29Å; G60-C64 PolarHBondContact O-N 2.88Å; F61-C64 PolarHBondContact O-N 3.24Å; C64-T66 VanDerWaalsContact C-N 3.3Å; C64-T66 PolarHBondContact O-N 3.49Å; C64-L67 PolarHBondContact O-N 3.32Å; C64-K68 WeakPolarHBondContact O-CG 3.43Å; C64-K68 PolarHBondContact O-N 2.9Å; C64-V75 HydrophobicContact CB-CG1 4.21Å; C64-M77 HydrophobicContact CB-CE 4.41Å; C64-M77 HydrophobicContact CB-SD 3.75Å
65N89.4Confident89.4Confident100 Ų10048.1 Ų48.154%0.53526%0.26SS..Hα-helixtrans-60.8-41178.6-171.263.3000111.8F61 Q62 L63 N69F61-N65 WeakPolarHBondContact O-CB 3.24Å; F61-N65 PolarHBondContact O-N 2.83Å; Q62-N65 PolarHBondContact O-N 2.83Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 3.04Å; N65-N69 VanDerWaalsContact CG-ND2 3.32Å; N65-N69 PolarHBondContact ND2-ND2 3Å; N65-N69 WeakPolarHBondContact O-CB 3.31Å; N65-N69 PolarHBondContact O-N 3.19Å; N65-N69 PolarHBondContact O-ND2 2.89Å; N65-N69 PolarHBondContact OD1-ND2 3.47Å
66T91.6Very high89.6Confident30 Ų3047.4 Ų47.418%0.18426%0.256CS..Hα-helixtrans-66.1-47.9176.5-51.90000111.2L38 Q62 L63 C64 K68 N69 D70 Y71L38-T66 HydrophobicContact CD1-CG2 4.24Å; L38-T66 HydrophobicContact CD2-CG2 3.71Å; Q62-T66 PolarHBondContact O-N 3.06Å; Q62-T66 VanDerWaalsContact O-N 3.13Å; Q62-T66 PolarHBondContact O-OG1 2.92Å; L63-T66 WeakPolarHBondContact O-CB 3.36Å; L63-T66 PolarHBondContact O-N 3.26Å; C64-T66 VanDerWaalsContact C-N 3.3Å; C64-T66 PolarHBondContact O-N 3.49Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 2.96Å; T66-N69 PolarHBondContact O-N 3.41Å; T66-D70 HydrophobicContact CG2-CB 4.45Å; T66-D70 WeakPolarHBondContact O-CB 3.44Å; T66-D70 PolarHBondContact O-N 2.93Å; T66-Y71 HydrophobicContact CG2-CD2 4.46Å; T66-Y71 HydrophobicContact CG2-CE2 4.11Å
67L92.1Very high90Very high0 Ų040.5 Ų40.50%022%0.219CC..Iπ-helixtrans-58.8-41.7179-67.6-179000112.2L41 A49 V51 L63 C64 Y71 D72 I73 V75L41-L67 HydrophobicContact CD1-CD2 3.23Å; A49-L67 HydrophobicContact CB-CD1 3.6Å; V51-L67 HydrophobicContact CG2-CD1 4Å; L63-L67 HydrophobicContact CD1-CD1 4.14Å; L63-L67 HydrophobicContact CD1-CD2 4.11Å; L63-L67 HydrophobicContact CD1-CG 3.88Å; L63-L67 HydrophobicContact CD2-CD1 4.3Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.04Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.37Å; C64-L67 PolarHBondContact O-N 3.32Å; L67-Y71 HydrophobicContact CD2-CD2 4.49Å; L67-Y71 CarbonylContact O-C 3.55Å; L67-Y71 WeakPolarHBondContact O-CA 3.43Å; L67-Y71 WeakPolarHBondContact O-CB 3.36Å; L67-Y71 PolarHBondContact O-N 2.72Å; L67-D72 PolarHBondContact O-N 2.95Å; L67-I73 HydrophobicContact CB-CB 4.4Å; L67-I73 HydrophobicContact CD2-CD1 4.25Å; L67-I73 PolarHBondContact O-N 3.13Å; L67-V75 HydrophobicContact CB-CG2 3.77Å; L67-V75 HydrophobicContact CD1-CG2 3.81Å; L67-V75 HydrophobicContact CG-CG2 4.45Å
68K85.9Confident90Very high64 Ų6437.3 Ų37.328%0.27819%0.187SC..Iπ-helixtrans-74.1-45.8-180-68.6-169.379.5-164.30112.9C64 T66 D72 V75 G94C64-K68 WeakPolarHBondContact O-CG 3.43Å; C64-K68 PolarHBondContact O-N 2.9Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 2.96Å; K68-D72 VanDerWaalsContact O-CA 3.31Å; K68-D72 WeakPolarHBondContact O-CA 3.29Å; K68-D72 PolarHBondContact O-N 3.38Å; K68-V75 HydrophobicContact CG-CG2 4.15Å; K68-G94 PolarHBondContact NZ-O 3.32Å
69N82.4Confident89.7Confident108 Ų10835.6 Ų35.658%0.57818%0.178SC*.Iπ-helixtrans-82.6-37.9-172.3-66.4-42000113.1N65 T66N65-N69 VanDerWaalsContact CG-ND2 3.32Å; N65-N69 PolarHBondContact ND2-ND2 3Å; N65-N69 WeakPolarHBondContact O-CB 3.31Å; N65-N69 PolarHBondContact O-N 3.19Å; N65-N69 PolarHBondContact O-ND2 2.89Å; N65-N69 PolarHBondContact OD1-ND2 3.47Å; T66-N69 PolarHBondContact O-N 3.41Å
70D85.3Confident89.3Confident120 Ų12035 Ų3564%0.64218%0.181SC*.Iπ-helixtrans-96.5-33.9-172.5-62.9-12.5000112T66T66-D70 HydrophobicContact CG2-CB 4.45Å; T66-D70 WeakPolarHBondContact O-CB 3.44Å; T66-D70 PolarHBondContact O-N 2.93Å
71Y85.2Confident88.4Confident84 Ų8443.1 Ų43.133%0.32921%0.212SC..Iπ-helixtrans-110.1-16.1-176.1-61.3-91.9000114L38 L41 T66 L67 I73L38-Y71 HydrophobicContact CD2-CE2 3.88Å; L41-Y71 HydrophobicContact CB-CD1 4.19Å; L41-Y71 HydrophobicContact CB-CE1 3.66Å; L41-Y71 HydrophobicContact CD1-CD1 4.26Å; L41-Y71 HydrophobicContact CD1-CD2 4.33Å; L41-Y71 HydrophobicContact CD1-CE1 4.28Å; L41-Y71 HydrophobicContact CD1-CE2 4.36Å; L41-Y71 HydrophobicContact CD1-CG 4.28Å; T66-Y71 HydrophobicContact CG2-CD2 4.46Å; T66-Y71 HydrophobicContact CG2-CE2 4.11Å; L67-Y71 HydrophobicContact CD2-CD2 4.49Å; L67-Y71 CarbonylContact O-C 3.55Å; L67-Y71 WeakPolarHBondContact O-CA 3.43Å; L67-Y71 WeakPolarHBondContact O-CB 3.36Å; L67-Y71 PolarHBondContact O-N 2.72Å; Y71-I73 HydrophobicContact CG-CD1 4.26Å; Y71-I73 PolarHBondContact O-N 2.98Å
72D82.2Confident87.3Confident19 Ų1947.9 Ų47.910%0.10224%0.239CC..  trans50.640.4-171.7-167.246.2000113.5L67 K68 N152 K153L67-D72 PolarHBondContact O-N 2.95Å; K68-D72 VanDerWaalsContact O-CA 3.31Å; K68-D72 WeakPolarHBondContact O-CA 3.29Å; K68-D72 PolarHBondContact O-N 3.38Å; D72-N152 VanDerWaalsContact OD2-C 3.26Å; D72-N152 WeakPolarHBondContact OD2-CA 3.4Å; D72-N152 WeakPolarHBondContact OD2-CB 3.47Å; D72-N152 PolarHBondContact OD2-ND2 3.33Å; D72-K153 HydrophobicContact CB-CG 4.29Å; D72-K153 VanDerWaalsContact CG-CG 3.44Å; D72-K153 WeakPolarHBondContact OD1-CD 3.21Å; D72-K153 WeakPolarHBondContact OD1-CE 3.39Å; D72-K153 IonicContact OD1-NZ 3.85Å; D72-K153 VanDerWaalsContact OD2-CD 3.28Å; D72-K153 WeakPolarHBondContact OD2-CD 3.21Å; D72-K153 WeakPolarHBondContact OD2-CG 3.26Å; D72-K153 PolarHBondContact OD2-N 3.42Å
73I90.1Very high85.9Confident11 Ų1144.6 Ų44.66%0.05623%0.23CC..  trans-90.6127175.6-65.9167.8000108.2L41 V46 A49 L67 Y71 V75L41-I73 HydrophobicContact CD1-CD1 4.01Å; L41-I73 HydrophobicContact CD2-CD1 3.72Å; V46-I73 HydrophobicContact CB-CD1 4.25Å; V46-I73 HydrophobicContact CG1-CG2 4.36Å; A49-I73 HydrophobicContact CB-CG2 4.06Å; L67-I73 HydrophobicContact CB-CB 4.4Å; L67-I73 HydrophobicContact CD2-CD1 4.25Å; L67-I73 PolarHBondContact O-N 3.13Å; Y71-I73 HydrophobicContact CG-CD1 4.26Å; Y71-I73 PolarHBondContact O-N 2.98Å; I73-V75 WeakPolarHBondContact O-CG2 3.47Å
74P90.3Very high84.5Confident3 Ų346.2 Ų46.22%0.01924%0.238CC..  trans-65.8140.6173.324.2-30.4000111.4D47 I48 A49 D96 V115 Y119 I121D47-P74 VanDerWaalsContact O-CD 3.26Å; D47-P74 WeakPolarHBondContact O-CD 3.47Å; D47-P74 WeakPolarHBondContact O-CG 3.42Å; I48-P74 HydrophobicContact CB-CG 4.2Å; I48-P74 HydrophobicContact CG1-CB 4.5Å; I48-P74 HydrophobicContact CG1-CG 4.17Å; I48-P74 WeakPolarHBondContact CG1-O 3.35Å; A49-P74 PolarHBondContact N-O 3.08Å; P74-D96 WeakPolarHBondContact CA-OD2 3.47Å; P74-D96 HydrophobicContact CB-CB 4.41Å; P74-V115 HydrophobicContact CB-CG1 3.53Å; P74-V115 HydrophobicContact CG-CG1 4.2Å; P74-Y119 HydrophobicContact CB-CD1 4.22Å; P74-Y119 HydrophobicContact CB-CD2 4.02Å; P74-Y119 HydrophobicContact CB-CE1 3.96Å; P74-Y119 HydrophobicContact CB-CE2 3.78Å; P74-Y119 HydrophobicContact CB-CG 4.27Å; P74-Y119 HydrophobicContact CG-CD1 4.03Å; P74-Y119 HydrophobicContact CG-CD2 4.35Å; P74-Y119 HydrophobicContact CG-CE1 4.18Å; P74-Y119 HydrophobicContact CG-CG 4.14Å; P74-I121 HydrophobicContact CG-CD1 4.47Å
75V93.9Very high83.5Confident0 Ų048.2 Ų48.20%025%0.252CS..EExtended strand (participates in β ladder)trans-125.1127.5-173.5-171.80000111.7A49 V51 C64 L67 K68 I73 M77 D96A49-V75 HydrophobicContact CB-CG2 4.39Å; A49-V75 WeakPolarHBondContact O-CA 3.22Å; V51-V75 HydrophobicContact CB-CG1 4.04Å; V51-V75 HydrophobicContact CG2-CG1 3.8Å; C64-V75 HydrophobicContact CB-CG1 4.21Å; L67-V75 HydrophobicContact CB-CG2 3.77Å; L67-V75 HydrophobicContact CD1-CG2 3.81Å; L67-V75 HydrophobicContact CG-CG2 4.45Å; K68-V75 HydrophobicContact CG-CG2 4.15Å; I73-V75 WeakPolarHBondContact O-CG2 3.47Å; V75-M77 HydrophobicContact CG1-CG 4.48Å; V75-M77 HydrophobicContact CG1-SD 3.61Å; V75-D96 PolarHBondContact N-OD2 3.26Å; V75-D96 WeakPolarHBondContact O-CB 3.37Å; V75-D96 PolarHBondContact O-N 2.9Å
76I95.2Very high82.2Confident0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans-101.8119166.5-58.3-176.9000108.6I48 A49 V50 V51 D97 V99 L108 R111 I112 V115I48-I76 HydrophobicContact CD1-CD1 3.94Å; I48-I76 HydrophobicContact CD1-CG1 4.19Å; A49-I76 PolarHBondContact O-N 2.79Å; V50-I76 CarbonylContact C-O 3.59Å; V50-I76 VanDerWaalsContact CA-O 3.32Å; V50-I76 WeakPolarHBondContact CA-O 3.34Å; V51-I76 PolarHBondContact N-O 3.3Å; I76-D97 WeakPolarHBondContact CA-O 3.36Å; I76-D97 HydrophobicContact CD1-CB 4.45Å; I76-D97 HydrophobicContact CG1-CB 4.06Å; I76-D97 HydrophobicContact CG2-CB 4.39Å; I76-V99 HydrophobicContact CG2-CG2 4Å; I76-L108 HydrophobicContact CG2-CD1 4.02Å; I76-R111 HydrophobicContact CD1-CB 4.04Å; I76-I112 HydrophobicContact CD1-CB 4.35Å; I76-I112 HydrophobicContact CD1-CG1 3.73Å; I76-V115 HydrophobicContact CD1-CG2 4.02Å; I76-V115 HydrophobicContact CG1-CG2 4.13Å
77M93.8Very high81Confident0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-86132.7179.8-60.7-61-66.900111.4V51 I53 G60 F61 C64 V75 T95 D97 Y98 V99V51-M77 HydrophobicContact CB-SD 4.06Å; V51-M77 HydrophobicContact CG1-CE 4.27Å; V51-M77 HydrophobicContact CG1-SD 4.29Å; V51-M77 CarbonylContact O-C 3.54Å; V51-M77 WeakPolarHBondContact O-CA 3.48Å; I53-M77 HydrophobicContact CB-CE 4.43Å; I53-M77 HydrophobicContact CD1-CB 4.43Å; I53-M77 HydrophobicContact CD1-CE 4.36Å; I53-M77 HydrophobicContact CG1-CB 4.34Å; I53-M77 HydrophobicContact CG1-CE 3.38Å; G60-M77 WeakPolarHBondContact O-CE 3.43Å; F61-M77 HydrophobicContact CD1-CE 4.28Å; F61-M77 HydrophobicContact CE1-CE 4.48Å; C64-M77 HydrophobicContact CB-CE 4.41Å; C64-M77 HydrophobicContact CB-SD 3.75Å; V75-M77 HydrophobicContact CG1-CG 4.48Å; V75-M77 HydrophobicContact CG1-SD 3.61Å; M77-T95 HydrophobicContact CG-CG2 3.5Å; M77-T95 HydrophobicContact SD-CG2 4.44Å; M77-D97 PolarHBondContact N-O 3.14Å; M77-Y98 CarbonylContact O-C 3.38Å; M77-Y98 WeakPolarHBondContact O-CA 3.43Å; M77-Y98 WeakPolarHBondContact O-CB 3.49Å; M77-V99 PolarHBondContact O-N 3.21Å
78L92.9Very high79.9Confident1 Ų157.1 Ų57.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-90.4127.5165.5-52.3-179.6000108.6I13 I17 V50 V51 I53 V99 F103 L108I13-L78 HydrophobicContact CG2-CD1 4.44Å; I17-L78 HydrophobicContact CD1-CD1 3.92Å; V50-L78 HydrophobicContact CG1-CD1 3.73Å; V50-L78 HydrophobicContact CG1-CD2 3.66Å; V50-L78 HydrophobicContact CG1-CG 3.6Å; V51-L78 PolarHBondContact O-N 3.39Å; I53-L78 VanDerWaalsContact CG1-O 3.28Å; I53-L78 WeakPolarHBondContact CG1-O 3.39Å; I53-L78 PolarHBondContact N-O 3Å; L78-V99 WeakPolarHBondContact CA-O 3.36Å; L78-V99 HydrophobicContact CD2-CB 3.98Å; L78-V99 HydrophobicContact CD2-CG1 4.46Å; L78-F103 HydrophobicContact CD1-CE1 4Å; L78-F103 HydrophobicContact CD1-CZ 4.12Å; L78-F103 HydrophobicContact CD2-CD1 4.34Å; L78-F103 HydrophobicContact CD2-CE1 3.83Å; L78-F103 HydrophobicContact CD2-CZ 4.18Å; L78-F103 HydrophobicContact CG-CE1 4.41Å; L78-L108 HydrophobicContact CD2-CD1 4.27Å
79T85.4Confident79.1Confident1 Ų160.6 Ų60.61%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-130.2146-174.1179.70000111.1I53 L84 Y98 V99 T100 K101I53-T79 VanDerWaalsContact CD1-CB 3.42Å; T79-L84 HydrophobicContact CG2-CD1 4.04Å; T79-L84 HydrophobicContact CG2-CD2 4.27Å; T79-L84 HydrophobicContact CG2-CG 4.34Å; T79-L84 WeakPolarHBondContact OG1-CD2 3.38Å; T79-L84 WeakPolarHBondContact OG1-CG 3.49Å; T79-Y98 HydrophobicContact CG2-CD2 4.02Å; T79-V99 PolarHBondContact N-O 3.34Å; T79-T100 HydrophobicContact CG2-CG2 3.75Å; T79-T100 CarbonylContact O-C 3.56Å; T79-T100 WeakPolarHBondContact O-CA 3.44Å; T79-K101 PolarHBondContact O-N 2.96Å
80A82.3Confident78.2Confident42 Ų4258.4 Ų58.435%0.34730%0.298SS..EExtended strand (participates in β ladder)trans-76.8134.5170.900000110D82 A83A80-D82 PolarHBondContact O-N 3.22Å; A80-D82 VanDerWaalsContact O-N 3.09Å; A80-A83 HydrophobicContact CB-CB 3.84Å; A80-A83 PolarHBondContact O-N 2.97Å
81R71.5Confident77.6Confident171 Ų17158.6 Ų58.665%0.64529%0.293SS*.THydrogen-bonded Turntrans-51.1-38179.9-172.4-177.369.4-174.9-2.3113.1
82D66.4Low76.8Confident139 Ų13954.9 Ų54.974%0.74328%0.279SS*.THydrogen-bonded Turntrans-92.6-3-173.7-53.5-24.8000112.8A80A80-D82 PolarHBondContact O-N 3.22Å; A80-D82 VanDerWaalsContact O-N 3.09Å
83A62.6Low75.8Confident36 Ų3658.9 Ų58.930%0.29831%0.309SS..THydrogen-bonded Turntrans-92.7-20.4-177.200000114A80 S85 E88A80-A83 HydrophobicContact CB-CB 3.84Å; A80-A83 PolarHBondContact O-N 2.97Å; A83-S85 VanDerWaalsContact C-N 3.32Å; A83-S85 PolarHBondContact O-N 2.75Å; A83-E88 VanDerWaalsContact C-OE2 3.27Å; A83-E88 VanDerWaalsContact O-CD 3.3Å
84L64.5Low74.8Confident33 Ų3360.4 Ų60.417%0.17333%0.327CS..  trans-64.581.1-170.6-75.1164.3000114.4T79 E88 R89 I92 T100T79-L84 HydrophobicContact CG2-CD1 4.04Å; T79-L84 HydrophobicContact CG2-CD2 4.27Å; T79-L84 HydrophobicContact CG2-CG 4.34Å; T79-L84 WeakPolarHBondContact OG1-CD2 3.38Å; T79-L84 WeakPolarHBondContact OG1-CG 3.49Å; L84-E88 WeakPolarHBondContact CA-OE2 3.26Å; L84-E88 HydrophobicContact CD2-CB 4.41Å; L84-R89 HydrophobicContact CB-CG 4.25Å; L84-R89 HydrophobicContact CD2-CG 4.15Å; L84-R89 PolarHBondContact O-NE 3.32Å; L84-R89 PolarHBondContact O-NH2 3.01Å; L84-I92 HydrophobicContact CD2-CD1 3.23Å; L84-T100 HydrophobicContact CD1-CG2 4.15Å
85S70.5Confident74.1Confident51 Ų5161.2 Ų61.236%0.35733%0.332SS..  trans-62.6159.1166.970.70000110.9A83 K87 E88 R89A83-S85 VanDerWaalsContact C-N 3.32Å; A83-S85 PolarHBondContact O-N 2.75Å; S85-K87 PolarHBondContact O-N 3.26Å; S85-E88 PolarHBondContact O-N 3.05Å; S85-E88 VanDerWaalsContact O-N 3.13Å; S85-E88 WeakPolarHBondContact OG-CG 3.34Å; S85-E88 PolarHBondContact OG-N 2.74Å; S85-E88 VanDerWaalsContact OG-N 3.16Å; S85-R89 PolarHBondContact O-N 2.86Å
86D62.2Low73.6Confident121 Ų12162.1 Ų62.165%0.64734%0.337SS*.Hα-helixtrans-59.9-31.5176.6-67.8-22000111.7R89 A90D86-R89 PolarHBondContact O-N 3.19Å; D86-R89 IonicContact OD1-CZ 3.3Å; D86-R89 IonicContact OD1-NH1 3.94Å; D86-R89 PolarHBondContact OD1-NH1 3.31Å; D86-R89 IonicContact OD1-NH2 2.79Å; D86-R89 PolarHBondContact OD1-NH2 3.4Å; D86-A90 PolarHBondContact O-N 3.1Å; D86-A90 VanDerWaalsContact O-N 3.09Å
87K65.6Low73.3Confident155 Ų15563.5 Ų63.567%0.67434%0.344SS*.Hα-helixtrans-67.2-46.1174.5-169.7178.8179.4-174.80111.4S85 R89 A90 F91S85-K87 PolarHBondContact O-N 3.26Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.19Å; K87-A90 WeakPolarHBondContact O-CB 3.25Å; K87-A90 PolarHBondContact O-N 3.12Å; K87-F91 HydrophobicContact CG-CD2 4.18Å; K87-F91 HydrophobicContact CG-CE2 4.21Å; K87-F91 WeakPolarHBondContact O-CD2 3.45Å; K87-F91 PolarHBondContact O-N 3Å
88E70.5Confident73.1Confident40 Ų4068.8 Ų68.819%0.18737%0.365CS..Hα-helixtrans-61.3-41.5175.4-74.9172.1-152.300111.7F61 A83 L84 S85 A90 F91 I92F61-E88 HydrophobicContact CE2-CG 4.03Å; F61-E88 HydrophobicContact CZ-CB 4.17Å; F61-E88 HydrophobicContact CZ-CG 3.86Å; A83-E88 VanDerWaalsContact C-OE2 3.27Å; A83-E88 VanDerWaalsContact O-CD 3.3Å; L84-E88 WeakPolarHBondContact CA-OE2 3.26Å; L84-E88 HydrophobicContact CD2-CB 4.41Å; S85-E88 PolarHBondContact O-N 3.05Å; S85-E88 VanDerWaalsContact O-N 3.13Å; S85-E88 WeakPolarHBondContact OG-CG 3.34Å; S85-E88 PolarHBondContact OG-N 2.74Å; S85-E88 VanDerWaalsContact OG-N 3.16Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 3.41Å; E88-F91 PolarHBondContact O-N 3.35Å; E88-F91 VanDerWaalsContact O-N 3.15Å; E88-I92 WeakPolarHBondContact O-CB 3.14Å; E88-I92 VanDerWaalsContact O-CG1 3.22Å; E88-I92 WeakPolarHBondContact O-CG1 3.44Å; E88-I92 PolarHBondContact O-N 3.42Å
89R68.1Low73Confident137 Ų13768.8 Ų68.852%0.51737%0.365SS..Hα-helixtrans-60.8-39.7175.8-74.9-173.5-113.3144.810.6112.3L84 S85 D86 K87 I92 S93L84-R89 HydrophobicContact CB-CG 4.25Å; L84-R89 HydrophobicContact CD2-CG 4.15Å; L84-R89 PolarHBondContact O-NE 3.32Å; L84-R89 PolarHBondContact O-NH2 3.01Å; S85-R89 PolarHBondContact O-N 2.86Å; D86-R89 PolarHBondContact O-N 3.19Å; D86-R89 IonicContact OD1-CZ 3.3Å; D86-R89 IonicContact OD1-NH1 3.94Å; D86-R89 PolarHBondContact OD1-NH1 3.31Å; D86-R89 IonicContact OD1-NH2 2.79Å; D86-R89 PolarHBondContact OD1-NH2 3.4Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.19Å; R89-I92 PolarHBondContact O-N 3.01Å; R89-S93 PolarHBondContact O-N 3.5Å
90A64.9Low73.2Confident62 Ų6271.1 Ų71.151%0.51238%0.379SS..Hα-helixtrans-63.2-43.4173.800000111.7D86 K87 E88 S93D86-A90 PolarHBondContact O-N 3.1Å; D86-A90 VanDerWaalsContact O-N 3.09Å; K87-A90 WeakPolarHBondContact O-CB 3.25Å; K87-A90 PolarHBondContact O-N 3.12Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 3.41Å; A90-S93 WeakPolarHBondContact O-CB 3.4Å; A90-S93 PolarHBondContact O-N 2.97Å; A90-S93 PolarHBondContact O-OG 2.88Å
91F71.1Confident73.5Confident124 Ų12471 Ų7154%0.54437%0.371SS..Hα-helixtrans-63.3-45.7175.4-92.6-87.6000112.5F61 K87 E88 S93 G94F61-F91 HydrophobicContact CD1-CB 4.14Å; F61-F91 HydrophobicContact CE1-CB 3.95Å; K87-F91 HydrophobicContact CG-CD2 4.18Å; K87-F91 HydrophobicContact CG-CE2 4.21Å; K87-F91 WeakPolarHBondContact O-CD2 3.45Å; K87-F91 PolarHBondContact O-N 3Å; E88-F91 PolarHBondContact O-N 3.35Å; E88-F91 VanDerWaalsContact O-N 3.15Å; F91-S93 PolarHBondContact O-N 3.16Å; F91-G94 PolarHBondContact O-N 2.8Å; F91-G94 VanDerWaalsContact O-N 3.07Å
92I68.6Low74.3Confident7 Ų769 Ų694%0.03638%0.38CS..Hα-helixtrans-64.8-27.9178-68167.8000111.2I53 F61 L84 E88 R89 G94 T95 Y98I53-I92 HydrophobicContact CD1-CD1 3.88Å; I53-I92 HydrophobicContact CD1-CG1 4.45Å; F61-I92 HydrophobicContact CE1-CG1 3.86Å; F61-I92 HydrophobicContact CZ-CG1 4.36Å; L84-I92 HydrophobicContact CD2-CD1 3.23Å; E88-I92 WeakPolarHBondContact O-CB 3.14Å; E88-I92 VanDerWaalsContact O-CG1 3.22Å; E88-I92 WeakPolarHBondContact O-CG1 3.44Å; E88-I92 PolarHBondContact O-N 3.42Å; R89-I92 PolarHBondContact O-N 3.01Å; I92-G94 PolarHBondContact O-N 3.11Å; I92-G94 VanDerWaalsContact O-N 3.11Å; I92-T95 WeakPolarHBondContact O-CB 3.45Å; I92-T95 PolarHBondContact O-N 2.94Å; I92-T95 PolarHBondContact O-OG1 3.03Å; I92-Y98 HydrophobicContact CG2-CD1 3.23Å; I92-Y98 HydrophobicContact CG2-CD2 4.41Å; I92-Y98 HydrophobicContact CG2-CE1 3.94Å; I92-Y98 HydrophobicContact CG2-CG 3.52Å
93S62.3Low75.4Confident102 Ų10263.9 Ų63.971%0.71335%0.351SS*.Hα-helixtrans-59.3-24.8174.482.40000112.9R89 A90 F91R89-S93 PolarHBondContact O-N 3.5Å; A90-S93 WeakPolarHBondContact O-CB 3.4Å; A90-S93 PolarHBondContact O-N 2.97Å; A90-S93 PolarHBondContact O-OG 2.88Å; F91-S93 PolarHBondContact O-N 3.16Å
94G68.7Low76.7Confident43 Ų4368.9 Ų68.944%0.44337%0.368SS..THydrogen-bonded Turntrans-84.80.9172.400000114.7K68 F91 I92K68-G94 PolarHBondContact NZ-O 3.32Å; F91-G94 PolarHBondContact O-N 2.8Å; F91-G94 VanDerWaalsContact O-N 3.07Å; I92-G94 PolarHBondContact O-N 3.11Å; I92-G94 VanDerWaalsContact O-N 3.11Å
95T74.2Confident78Confident20 Ų2067.6 Ų67.612%0.12336%0.362CS..SBendtrans-92164.4178680000111.1M77 I92 D97M77-T95 HydrophobicContact CG-CG2 3.5Å; M77-T95 HydrophobicContact SD-CG2 4.44Å; I92-T95 WeakPolarHBondContact O-CB 3.45Å; I92-T95 PolarHBondContact O-N 2.94Å; I92-T95 PolarHBondContact O-OG1 3.03Å; T95-D97 PolarHBondContact OG1-O 3.15Å
96D84.8Confident78.7Confident20 Ų2071.9 Ų71.911%0.10737%0.374CS..SBendtrans-74.9-32.5-177.6-66.1-73.4000113.3P74 V75 V115 R118 Y119P74-D96 WeakPolarHBondContact CA-OD2 3.47Å; P74-D96 HydrophobicContact CB-CB 4.41Å; V75-D96 PolarHBondContact N-OD2 3.26Å; V75-D96 WeakPolarHBondContact O-CB 3.37Å; V75-D96 PolarHBondContact O-N 2.9Å; D96-V115 HydrophobicContact CB-CG1 3.89Å; D96-V115 HydrophobicContact CB-CG2 4.23Å; D96-R118 PolarHBondContact O-NH1 2.8Å; D96-Y119 WeakPolarHBondContact OD1-CE2 3.32Å; D96-Y119 PolarHBondContact OD1-OH 3.32Å
97D88.7Confident80Confident28 Ų2869.5 Ų69.515%0.1536%0.359CS..EExtended strand (participates in β ladder)trans-166.6171.7170.9-150.6-17.4000109.7I76 M77 T95 R111 V115I76-D97 WeakPolarHBondContact CA-O 3.36Å; I76-D97 HydrophobicContact CD1-CB 4.45Å; I76-D97 HydrophobicContact CG1-CB 4.06Å; I76-D97 HydrophobicContact CG2-CB 4.39Å; M77-D97 PolarHBondContact N-O 3.14Å; T95-D97 PolarHBondContact OG1-O 3.15Å; D97-R111 IonicContact OD1-CZ 3.41Å; D97-R111 IonicContact OD1-NH1 3.84Å; D97-R111 PolarHBondContact OD1-NH1 3.12Å; D97-R111 WeakPolarHBondContact OD2-CB 3.48Å; D97-R111 VanDerWaalsContact OD2-CG 3.3Å; D97-R111 WeakPolarHBondContact OD2-CG 3.49Å; D97-R111 IonicContact OD2-NH1 2.71Å; D97-R111 PolarHBondContact OD2-NH1 3.08Å; D97-R111 VanDerWaalsContact OD2-NH1 3.1Å; D97-V115 HydrophobicContact CB-CG2 3.93Å
98Y90.4Very high81.4Confident111 Ų11162.1 Ų62.144%0.43533%0.327SS..EExtended strand (participates in β ladder)trans-144.8158.417167.6-86000112.1M77 T79 I92M77-Y98 CarbonylContact O-C 3.38Å; M77-Y98 WeakPolarHBondContact O-CA 3.43Å; M77-Y98 WeakPolarHBondContact O-CB 3.49Å; T79-Y98 HydrophobicContact CG2-CD2 4.02Å; I92-Y98 HydrophobicContact CG2-CD1 3.23Å; I92-Y98 HydrophobicContact CG2-CD2 4.41Å; I92-Y98 HydrophobicContact CG2-CE1 3.94Å; I92-Y98 HydrophobicContact CG2-CG 3.52Å
99V90.7Very high82.3Confident1 Ų160.5 Ų60.51%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-136.7127.6179.8178.70000110I76 M77 L78 T79 F103 L108I76-V99 HydrophobicContact CG2-CG2 4Å; M77-V99 PolarHBondContact O-N 3.21Å; L78-V99 WeakPolarHBondContact CA-O 3.36Å; L78-V99 HydrophobicContact CD2-CB 3.98Å; L78-V99 HydrophobicContact CD2-CG1 4.46Å; T79-V99 PolarHBondContact N-O 3.34Å; V99-F103 HydrophobicContact CG1-CB 3.33Å; V99-F103 HydrophobicContact CG1-CD1 3.8Å; V99-F103 HydrophobicContact CG1-CD2 4.32Å; V99-F103 HydrophobicContact CG1-CG 3.57Å; V99-L108 HydrophobicContact CG2-CD1 4.01Å
100T88.5Confident83Confident50 Ų5060.6 Ų60.631%0.30732%0.324SS..EExtended strand (participates in β ladder)trans-82.1132.6178.352.90000111.9T79 L84 P102 F103T79-T100 HydrophobicContact CG2-CG2 3.75Å; T79-T100 CarbonylContact O-C 3.56Å; T79-T100 WeakPolarHBondContact O-CA 3.44Å; L84-T100 HydrophobicContact CD1-CG2 4.15Å; T100-P102 CarbonylContact O-C 3.56Å; T100-P102 VanDerWaalsContact O-C 3.31Å; T100-F103 WeakPolarHBondContact O-CB 3.29Å
101K88.7Confident84.1Confident41 Ų4161.3 Ų61.318%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-75.6140.9167.7-67.3178.5179.4-177.90110.6D8 I13 D52 T79 F103D8-K101 IonicContact OD1-NZ 2.9Å; D8-K101 WeakPolarHBondContact OD2-CE 3.48Å; D8-K101 IonicContact OD2-NZ 3.1Å; D8-K101 PolarHBondContact OD2-NZ 3.47Å; I13-K101 HydrophobicContact CD1-CD 4.22Å; D52-K101 VanDerWaalsContact OD1-CE 3.27Å; D52-K101 WeakPolarHBondContact OD1-CE 3.43Å; D52-K101 IonicContact OD1-NZ 3.35Å; D52-K101 PolarHBondContact OD1-NZ 2.9Å; D52-K101 IonicContact OD2-NZ 2.72Å; D52-K101 PolarHBondContact OD2-NZ 3.35Å; T79-K101 PolarHBondContact O-N 2.96Å; K101-F103 HydrophobicContact CG-CD1 3.95Å; K101-F103 HydrophobicContact CG-CE1 3.83Å
102P89.2Confident85.1Confident127 Ų12755.4 Ų55.483%0.82529%0.287SS*.SBendcis-72.3146.3-11.832.5-34.4000111.1T100T100-P102 CarbonylContact O-C 3.56Å; T100-P102 VanDerWaalsContact O-C 3.31Å
103F88.6Confident85.7Confident32 Ų3259.2 Ų59.214%0.1430%0.302CS..  trans-125.2156.9-179.653.5-95.2000112.2I17 L78 V99 T100 K101 L108I17-F103 HydrophobicContact CD1-CZ 3.99Å; I17-F103 HydrophobicContact CG1-CE2 4.33Å; I17-F103 HydrophobicContact CG1-CZ 4.22Å; L78-F103 HydrophobicContact CD1-CE1 4Å; L78-F103 HydrophobicContact CD1-CZ 4.12Å; L78-F103 HydrophobicContact CD2-CD1 4.34Å; L78-F103 HydrophobicContact CD2-CE1 3.83Å; L78-F103 HydrophobicContact CD2-CZ 4.18Å; L78-F103 HydrophobicContact CG-CE1 4.41Å; V99-F103 HydrophobicContact CG1-CB 3.33Å; V99-F103 HydrophobicContact CG1-CD1 3.8Å; V99-F103 HydrophobicContact CG1-CD2 4.32Å; V99-F103 HydrophobicContact CG1-CG 3.57Å; T100-F103 WeakPolarHBondContact O-CB 3.29Å; K101-F103 HydrophobicContact CG-CD1 3.95Å; K101-F103 HydrophobicContact CG-CE1 3.83Å; F103-L108 HydrophobicContact CD2-CB 4.35Å; F103-L108 HydrophobicContact CE2-CB 4.46Å; F103-L108 HydrophobicContact CE2-CD2 3.91Å; F103-L108 HydrophobicContact CZ-CD2 4.35Å
104E90Very high86.5Confident141 Ų14155.7 Ų55.766%0.65928%0.279SS*.  trans-80126163.9-65.9-171.3-16700109.5K106 E107 L108E104-K106 PolarHBondContact O-N 3.35Å; E104-K106 VanDerWaalsContact O-N 3.09Å; E104-E107 VanDerWaalsContact O-CB 3.29Å; E104-E107 WeakPolarHBondContact O-CB 3.46Å; E104-E107 PolarHBondContact O-N 3.18Å; E104-L108 PolarHBondContact O-N 3.35Å
105V91.4Very high87.3Confident7 Ų753.7 Ų53.74%0.04226%0.258CS..Hα-helixtrans-59.2-27-179.7700000113.1Y16 H20 E107 L108 I109Y16-V105 HydrophobicContact CE1-CB 3.79Å; Y16-V105 HydrophobicContact CE1-CG1 4.34Å; Y16-V105 HydrophobicContact CE1-CG2 4.4Å; H20-V105 HydrophobicContact CB-CB 4.45Å; H20-V105 HydrophobicContact CB-CG1 4.07Å; H20-V105 HydrophobicContact CB-CG2 3.59Å; H20-V105 WeakPolarHBondContact CD2-CG1 3.45Å; V105-E107 VanDerWaalsContact C-N 3.34Å; V105-E107 PolarHBondContact O-N 2.87Å; V105-L108 WeakPolarHBondContact O-CB 3.5Å; V105-L108 PolarHBondContact O-N 3.07Å; V105-I109 HydrophobicContact CG2-CD1 4.3Å; V105-I109 WeakPolarHBondContact O-CD1 3.34Å; V105-I109 WeakPolarHBondContact O-CG1 3.44Å; V105-I109 PolarHBondContact O-N 3.08Å
106K85.9Confident87.8Confident141 Ų14152.8 Ų52.861%0.61325%0.252SS*.Hα-helixtrans-62.2-39.7172.4-73-175.4178.8178.10112.4E104 I109 F110E104-K106 PolarHBondContact O-N 3.35Å; E104-K106 VanDerWaalsContact O-N 3.09Å; K106-I109 PolarHBondContact O-N 3.33Å; K106-F110 WeakPolarHBondContact O-CD2 3.37Å; K106-F110 WeakPolarHBondContact O-CG 3.41Å; K106-F110 PolarHBondContact O-N 2.98Å
107E90Very high87.3Confident70 Ų7059.3 Ų59.333%0.32728%0.275SS..Hα-helixtrans-61.5-47.2174.6-172.6-170.916100110.2E104 V105 I109 F110 R111E104-E107 VanDerWaalsContact O-CB 3.29Å; E104-E107 WeakPolarHBondContact O-CB 3.46Å; E104-E107 PolarHBondContact O-N 3.18Å; V105-E107 VanDerWaalsContact C-N 3.34Å; V105-E107 PolarHBondContact O-N 2.87Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.15Å; E107-F110 PolarHBondContact O-N 3.07Å; E107-R111 WeakPolarHBondContact O-CG 3.41Å; E107-R111 PolarHBondContact O-N 2.97Å; E107-R111 IonicContact OE1-CZ 3.63Å; E107-R111 VanDerWaalsContact OE1-CZ 3.3Å; E107-R111 IonicContact OE1-NE 3.24Å; E107-R111 PolarHBondContact OE1-NE 3.06Å; E107-R111 IonicContact OE1-NH2 3.35Å; E107-R111 PolarHBondContact OE1-NH2 3.3Å
108L94.5Very high86.6Confident1 Ų164.9 Ų64.91%0.00529%0.294CS..Hα-helixtrans-57.6-44.8176.6178.561.9000111.5I17 V50 I76 L78 V99 F103 E104 V105 F110 R111 I112I17-L108 HydrophobicContact CD1-CD2 3.98Å; I17-L108 HydrophobicContact CG1-CD2 4.03Å; I17-L108 HydrophobicContact CG2-CD2 4.04Å; V50-L108 HydrophobicContact CG1-CD1 4.1Å; V50-L108 HydrophobicContact CG1-CD2 4.17Å; V50-L108 HydrophobicContact CG2-CD1 4.08Å; I76-L108 HydrophobicContact CG2-CD1 4.02Å; L78-L108 HydrophobicContact CD2-CD1 4.27Å; V99-L108 HydrophobicContact CG2-CD1 4.01Å; F103-L108 HydrophobicContact CD2-CB 4.35Å; F103-L108 HydrophobicContact CE2-CB 4.46Å; F103-L108 HydrophobicContact CE2-CD2 3.91Å; F103-L108 HydrophobicContact CZ-CD2 4.35Å; E104-L108 PolarHBondContact O-N 3.35Å; V105-L108 WeakPolarHBondContact O-CB 3.5Å; V105-L108 PolarHBondContact O-N 3.07Å; L108-F110 PolarHBondContact O-N 3.4Å; L108-R111 PolarHBondContact O-N 3Å; L108-I112 HydrophobicContact CD1-CD1 4.26Å; L108-I112 HydrophobicContact CD1-CG1 4.35Å; L108-I112 HydrophobicContact CG-CD1 3.95Å; L108-I112 HydrophobicContact CG-CG1 4.48Å; L108-I112 WeakPolarHBondContact O-CB 3.38Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.35Å; L108-I112 PolarHBondContact O-N 3.42Å
109I88.5Confident85.8Confident6 Ų660.6 Ų60.63%0.03128%0.277CS..Hα-helixtrans-61.1-42.4176.8-70.2155.4000111.8H20 L21 E24 V105 K106 E107 R111 I112 R113H20-I109 HydrophobicContact CB-CD1 4.39Å; L21-I109 HydrophobicContact CD2-CG1 4.06Å; E24-I109 HydrophobicContact CG-CD1 3.77Å; E24-I109 HydrophobicContact CG-CG1 4.37Å; E24-I109 HydrophobicContact CG-CG2 4.11Å; V105-I109 HydrophobicContact CG2-CD1 4.3Å; V105-I109 WeakPolarHBondContact O-CD1 3.34Å; V105-I109 WeakPolarHBondContact O-CG1 3.44Å; V105-I109 PolarHBondContact O-N 3.08Å; K106-I109 PolarHBondContact O-N 3.33Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.15Å; I109-R111 VanDerWaalsContact C-N 3.32Å; I109-R111 PolarHBondContact O-N 2.95Å; I109-I112 PolarHBondContact O-N 2.86Å; I109-R113 WeakPolarHBondContact O-CG 3.45Å; I109-R113 PolarHBondContact O-N 2.85Å
110F82.9Confident84.5Confident138 Ų13863.5 Ų63.561%0.60529%0.293SS*.Hα-helixtrans-63.5-39.8177.1-68.5-40.6000112.1K106 E107 L108 R113 A114K106-F110 WeakPolarHBondContact O-CD2 3.37Å; K106-F110 WeakPolarHBondContact O-CG 3.41Å; K106-F110 PolarHBondContact O-N 2.98Å; E107-F110 PolarHBondContact O-N 3.07Å; L108-F110 PolarHBondContact O-N 3.4Å; F110-R113 PolarHBondContact O-N 3.34Å; F110-A114 WeakPolarHBondContact O-CB 3.42Å; F110-A114 PolarHBondContact O-N 3.32Å
111R88.4Confident83.3Confident77 Ų7761.5 Ų61.529%0.29128%0.28SS..Hα-helixtrans-67.7-44.1176.2-69.4176.4-178.2-80.44.9112I76 D97 E107 L108 I109 R113 A114 V115I76-R111 HydrophobicContact CD1-CB 4.04Å; D97-R111 IonicContact OD1-CZ 3.41Å; D97-R111 IonicContact OD1-NH1 3.84Å; D97-R111 PolarHBondContact OD1-NH1 3.12Å; D97-R111 WeakPolarHBondContact OD2-CB 3.48Å; D97-R111 VanDerWaalsContact OD2-CG 3.3Å; D97-R111 WeakPolarHBondContact OD2-CG 3.49Å; D97-R111 IonicContact OD2-NH1 2.71Å; D97-R111 PolarHBondContact OD2-NH1 3.08Å; D97-R111 VanDerWaalsContact OD2-NH1 3.1Å; E107-R111 WeakPolarHBondContact O-CG 3.41Å; E107-R111 PolarHBondContact O-N 2.97Å; E107-R111 IonicContact OE1-CZ 3.63Å; E107-R111 VanDerWaalsContact OE1-CZ 3.3Å; E107-R111 IonicContact OE1-NE 3.24Å; E107-R111 PolarHBondContact OE1-NE 3.06Å; E107-R111 IonicContact OE1-NH2 3.35Å; E107-R111 PolarHBondContact OE1-NH2 3.3Å; L108-R111 PolarHBondContact O-N 3Å; I109-R111 VanDerWaalsContact C-N 3.32Å; I109-R111 PolarHBondContact O-N 2.95Å; R111-R113 VanDerWaalsContact C-N 3.32Å; R111-R113 PolarHBondContact O-N 2.78Å; R111-A114 WeakPolarHBondContact O-CB 3.31Å; R111-A114 PolarHBondContact O-N 2.79Å; R111-A114 VanDerWaalsContact O-N 3.07Å; R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.41Å
112I91.8Very high81.7Confident0 Ų064 Ų640%030%0.295CS..Hα-helixtrans-51.8-52.3171.1-73.5168.5000110L21 I26 I48 V50 I76 L108 I109 A114 V115 L116L21-I112 HydrophobicContact CD2-CD1 3.7Å; I26-I112 HydrophobicContact CD1-CG2 4.02Å; I48-I112 HydrophobicContact CD1-CB 4.32Å; I48-I112 HydrophobicContact CD1-CG1 4.27Å; I48-I112 HydrophobicContact CD1-CG2 4.16Å; I48-I112 HydrophobicContact CG2-CG2 4.24Å; V50-I112 HydrophobicContact CG2-CD1 3.9Å; V50-I112 HydrophobicContact CG2-CG1 4.2Å; I76-I112 HydrophobicContact CD1-CB 4.35Å; I76-I112 HydrophobicContact CD1-CG1 3.73Å; L108-I112 HydrophobicContact CD1-CD1 4.26Å; L108-I112 HydrophobicContact CD1-CG1 4.35Å; L108-I112 HydrophobicContact CG-CD1 3.95Å; L108-I112 HydrophobicContact CG-CG1 4.48Å; L108-I112 WeakPolarHBondContact O-CB 3.38Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.35Å; L108-I112 PolarHBondContact O-N 3.42Å; I109-I112 PolarHBondContact O-N 2.86Å; I112-A114 VanDerWaalsContact C-N 3.31Å; I112-A114 PolarHBondContact O-N 2.88Å; I112-V115 PolarHBondContact O-N 2.82Å; I112-L116 HydrophobicContact CG2-CD1 3.62Å; I112-L116 HydrophobicContact CG2-CG 4.31Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 WeakPolarHBondContact O-CG 3.27Å; I112-L116 PolarHBondContact O-N 2.71Å
113R82Confident80Confident88 Ų8859.3 Ų59.333%0.33227%0.266SS..Hα-helixtrans-62.3-36.4178.8-74.3177.2166.8148.91.7113E24 I109 F110 R111 R117E24-R113 IonicContact OE2-CZ 2.87Å; E24-R113 IonicContact OE2-NH1 3.58Å; E24-R113 PolarHBondContact OE2-NH1 3.24Å; E24-R113 IonicContact OE2-NH2 2.7Å; E24-R113 PolarHBondContact OE2-NH2 2.92Å; I109-R113 WeakPolarHBondContact O-CG 3.45Å; I109-R113 PolarHBondContact O-N 2.85Å; F110-R113 PolarHBondContact O-N 3.34Å; R111-R113 VanDerWaalsContact C-N 3.32Å; R111-R113 PolarHBondContact O-N 2.78Å; R113-R117 WeakPolarHBondContact O-CB 3.49Å; R113-R117 PolarHBondContact O-N 2.9Å; R113-R117 PolarHBondContact O-NH1 3.07Å
114A78.9Confident78.4Confident28 Ų2864.6 Ų64.623%0.23130%0.295CS..Hα-helixtrans-67.4-45.3177.700000111.8F110 R111 I112 R117 R118F110-A114 WeakPolarHBondContact O-CB 3.42Å; F110-A114 PolarHBondContact O-N 3.32Å; R111-A114 WeakPolarHBondContact O-CB 3.31Å; R111-A114 PolarHBondContact O-N 2.79Å; R111-A114 VanDerWaalsContact O-N 3.07Å; I112-A114 VanDerWaalsContact C-N 3.31Å; I112-A114 PolarHBondContact O-N 2.88Å; A114-R117 PolarHBondContact O-N 2.62Å; A114-R118 PolarHBondContact O-N 3.24Å
115V86.3Confident77.5Confident0 Ų059.8 Ų59.80%028%0.278CS..Hα-helixtrans-64.4-48176.7174.40000110.7I48 P74 I76 D96 D97 R111 I112 R117 R118 Y119I48-V115 HydrophobicContact CD1-CB 3.92Å; I48-V115 HydrophobicContact CD1-CG1 3.83Å; P74-V115 HydrophobicContact CB-CG1 3.53Å; P74-V115 HydrophobicContact CG-CG1 4.2Å; I76-V115 HydrophobicContact CD1-CG2 4.02Å; I76-V115 HydrophobicContact CG1-CG2 4.13Å; D96-V115 HydrophobicContact CB-CG1 3.89Å; D96-V115 HydrophobicContact CB-CG2 4.23Å; D97-V115 HydrophobicContact CB-CG2 3.93Å; R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.41Å; I112-V115 PolarHBondContact O-N 2.82Å; V115-R117 PolarHBondContact O-N 3.35Å; V115-R118 WeakPolarHBondContact O-CB 3.36Å; V115-R118 PolarHBondContact O-N 3.23Å; V115-Y119 HydrophobicContact CG1-CD2 4.14Å; V115-Y119 HydrophobicContact CG1-CE2 4.35Å; V115-Y119 WeakPolarHBondContact O-CD2 3.19Å; V115-Y119 PolarHBondContact O-N 2.64Å
116L84.6Confident77Confident2 Ų265.2 Ų65.21%0.0130%0.302CS..Hα-helixtrans-56.6-39.4176.2-69.5168.8000112.2V2 D47 I48 I112 Y119 N120 I121V2-L116 HydrophobicContact CB-CD1 4.48Å; V2-L116 HydrophobicContact CG1-CD1 3.67Å; V2-L116 HydrophobicContact CG1-CD2 4.07Å; V2-L116 HydrophobicContact CG2-CD1 4.07Å; D47-L116 HydrophobicContact CB-CD2 4.29Å; I48-L116 HydrophobicContact CB-CD2 3.92Å; I48-L116 HydrophobicContact CD1-CD2 4.42Å; I48-L116 HydrophobicContact CD1-CG 4.23Å; I48-L116 HydrophobicContact CG2-CD2 4Å; I48-L116 HydrophobicContact CG2-CG 4.46Å; I112-L116 HydrophobicContact CG2-CD1 3.62Å; I112-L116 HydrophobicContact CG2-CG 4.31Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 WeakPolarHBondContact O-CG 3.27Å; I112-L116 PolarHBondContact O-N 2.71Å; L116-Y119 CarbonylContact O-C 3.54Å; L116-Y119 PolarHBondContact O-N 3.29Å; L116-N120 PolarHBondContact O-N 2.84Å; L116-N120 VanDerWaalsContact O-N 3.07Å; L116-I121 HydrophobicContact CB-CB 4.29Å; L116-I121 HydrophobicContact CD2-CB 4.03Å; L116-I121 HydrophobicContact CD2-CD1 3.47Å; L116-I121 VanDerWaalsContact CD2-CD1 3.47Å; L116-I121 HydrophobicContact CD2-CG1 4.34Å; L116-I121 HydrophobicContact CD2-CG2 3.93Å; L116-I121 PolarHBondContact O-N 2.62Å
117R73.3Confident77.1Confident157 Ų15760.7 Ų60.759%0.59228%0.284SS*.Hα-helixtrans-66.8-39.2175.5-176.8173.862.1-98.40.8112.2R113 A114 V115 Y119 N120R113-R117 WeakPolarHBondContact O-CB 3.49Å; R113-R117 PolarHBondContact O-N 2.9Å; R113-R117 PolarHBondContact O-NH1 3.07Å; A114-R117 PolarHBondContact O-N 2.62Å; V115-R117 PolarHBondContact O-N 3.35Å; R117-Y119 PolarHBondContact O-N 2.92Å; R117-N120 WeakPolarHBondContact O-CA 3.47Å; R117-N120 PolarHBondContact O-N 2.92Å; R117-N120 PolarHBondContact O-OD1 3.35Å
118R73.5Confident77.2Confident145 Ų14561.8 Ų61.855%0.54730%0.296SS..Hα-helixtrans-61.5-37175-173.4-173.4-61.3139.9-0.5111.4D96 A114 V115 N120D96-R118 PolarHBondContact O-NH1 2.8Å; A114-R118 PolarHBondContact O-N 3.24Å; V115-R118 WeakPolarHBondContact O-CB 3.36Å; V115-R118 PolarHBondContact O-N 3.23Å; R118-N120 PolarHBondContact O-N 2.87Å
119Y73.5Confident77Confident21 Ų2162.6 Ų62.68%0.08230%0.3CS..THydrogen-bonded Turntrans-822.6174.7-80.6-109.5000113.1P74 D96 V115 L116 R117 I121 N152P74-Y119 HydrophobicContact CB-CD1 4.22Å; P74-Y119 HydrophobicContact CB-CD2 4.02Å; P74-Y119 HydrophobicContact CB-CE1 3.96Å; P74-Y119 HydrophobicContact CB-CE2 3.78Å; P74-Y119 HydrophobicContact CB-CG 4.27Å; P74-Y119 HydrophobicContact CG-CD1 4.03Å; P74-Y119 HydrophobicContact CG-CD2 4.35Å; P74-Y119 HydrophobicContact CG-CE1 4.18Å; P74-Y119 HydrophobicContact CG-CG 4.14Å; D96-Y119 WeakPolarHBondContact OD1-CE2 3.32Å; D96-Y119 PolarHBondContact OD1-OH 3.32Å; V115-Y119 HydrophobicContact CG1-CD2 4.14Å; V115-Y119 HydrophobicContact CG1-CE2 4.35Å; V115-Y119 WeakPolarHBondContact O-CD2 3.19Å; V115-Y119 PolarHBondContact O-N 2.64Å; L116-Y119 CarbonylContact O-C 3.54Å; L116-Y119 PolarHBondContact O-N 3.29Å; R117-Y119 PolarHBondContact O-N 2.92Å; Y119-I121 HydrophobicContact CG-CD1 4.5Å; Y119-I121 PolarHBondContact O-N 2.61Å; Y119-N152 WeakPolarHBondContact CD1-ND2 3.22Å; Y119-N152 WeakPolarHBondContact CE1-ND2 3.18Å
120N65Low77.1Confident62 Ų6264 Ų6433%0.33232%0.316SS..THydrogen-bonded Turntrans5722.6-178.2-66.5-53.4000114.9L116 R117 R118 N122 S123 Q136L116-N120 PolarHBondContact O-N 2.84Å; L116-N120 VanDerWaalsContact O-N 3.07Å; R117-N120 WeakPolarHBondContact O-CA 3.47Å; R117-N120 PolarHBondContact O-N 2.92Å; R117-N120 PolarHBondContact O-OD1 3.35Å; R118-N120 PolarHBondContact O-N 2.87Å; N120-N122 PolarHBondContact O-N 2.84Å; N120-N122 VanDerWaalsContact O-N 3.08Å; N120-S123 WeakPolarHBondContact CB-OG 3.18Å; N120-S123 PolarHBondContact O-N 3.11Å; N120-S123 VanDerWaalsContact O-N 3.15Å; N120-S123 PolarHBondContact O-OG 2.79Å; N120-S123 VanDerWaalsContact O-OG 3.06Å; N120-Q136 HydrophobicContact CB-CG 3.69Å; N120-Q136 VanDerWaalsContact CG-NE2 3.26Å; N120-Q136 PolarHBondContact ND2-NE2 3.07Å; N120-Q136 VanDerWaalsContact ND2-NE2 3.17Å
121I62Low77.7Confident7 Ų760.3 Ų60.34%0.03630%0.302CS..THydrogen-bonded Turntrans-67.2-12.3-179.7-63.2162.8000111.8D47 P74 L116 Y119 S137D47-I121 HydrophobicContact CB-CD1 4.41Å; D47-I121 HydrophobicContact CB-CG2 4.33Å; D47-I121 WeakPolarHBondContact O-CD1 3.48Å; P74-I121 HydrophobicContact CG-CD1 4.47Å; L116-I121 HydrophobicContact CB-CB 4.29Å; L116-I121 HydrophobicContact CD2-CB 4.03Å; L116-I121 HydrophobicContact CD2-CD1 3.47Å; L116-I121 VanDerWaalsContact CD2-CD1 3.47Å; L116-I121 HydrophobicContact CD2-CG1 4.34Å; L116-I121 HydrophobicContact CD2-CG2 3.93Å; L116-I121 PolarHBondContact O-N 2.62Å; Y119-I121 HydrophobicContact CG-CD1 4.5Å; Y119-I121 PolarHBondContact O-N 2.61Å; I121-S137 CarbonylContact O-C 3.16Å; I121-S137 VanDerWaalsContact O-CA 3.31Å; I121-S137 WeakPolarHBondContact O-CA 3.35Å
122N54.4Low78Confident93 Ų9356.6 Ų56.650%0.49729%0.288SS..THydrogen-bonded Turntrans-118.86.4174.6-74-30.8000114.2N120 N124N120-N122 PolarHBondContact O-N 2.84Å; N120-N122 VanDerWaalsContact O-N 3.08Å; N122-N124 PolarHBondContact O-N 3.1Å
123S55Low78.1Confident29 Ų2958 Ų5820%0.20330%0.297CS..  trans-79.4114.7176.664.10000109N120 S125 Q136 S137N120-S123 WeakPolarHBondContact CB-OG 3.18Å; N120-S123 PolarHBondContact O-N 3.11Å; N120-S123 VanDerWaalsContact O-N 3.15Å; N120-S123 PolarHBondContact O-OG 2.79Å; N120-S123 VanDerWaalsContact O-OG 3.06Å; S123-S125 WeakPolarHBondContact CB-OG 3.28Å; S123-S125 PolarHBondContact O-N 2.9Å; S123-S125 PolarHBondContact O-OG 2.88Å; S123-S125 PolarHBondContact OG-OG 3.46Å; S123-Q136 VanDerWaalsContact OG-CD 3.24Å; S123-Q136 VanDerWaalsContact OG-CG 3.29Å; S123-Q136 WeakPolarHBondContact OG-CG 3.37Å; S123-Q136 PolarHBondContact OG-OE1 3.36Å; S123-S137 VanDerWaalsContact C-OG 3.27Å; S123-S137 PolarHBondContact O-N 3.5Å; S123-S137 PolarHBondContact O-OG 2.98Å
124N55.5Low78.5Confident143 Ų14353.8 Ų53.877%0.76528%0.281SS*.  trans-66.124.2174.7-112.125.3000114N122 E126 S137N122-N124 PolarHBondContact O-N 3.1Å; N124-E126 PolarHBondContact O-N 3.34Å; N124-S137 PolarHBondContact OD1-OG 3.47Å
125S70.8Confident78.8Confident41 Ų4153.2 Ų53.229%0.28727%0.274SS..  trans-73.4108.8172.726.50000109.4S123 Q136S123-S125 WeakPolarHBondContact CB-OG 3.28Å; S123-S125 PolarHBondContact O-N 2.9Å; S123-S125 PolarHBondContact O-OG 2.88Å; S123-S125 PolarHBondContact OG-OG 3.46Å; S125-Q136 VanDerWaalsContact O-CB 3.24Å; S125-Q136 WeakPolarHBondContact O-CB 3.34Å; S125-Q136 PolarHBondContact O-N 3.24Å; S125-Q136 PolarHBondContact OG-OE1 3.07Å
126E80.3Confident78.4Confident121 Ų12154.1 Ų54.157%0.56528%0.278SS*.EExtended strand (participates in β ladder)trans-99.6143160-65-172.1159.500109.4N124 T133 L134 N135N124-E126 PolarHBondContact O-N 3.34Å; E126-T133 HydrophobicContact CB-CG2 4.41Å; E126-L134 CarbonylContact C-O 3.48Å; E126-L134 VanDerWaalsContact CA-O 3.27Å; E126-L134 WeakPolarHBondContact CA-O 3.49Å; E126-N135 HydrophobicContact CG-CB 4.17Å; E126-N135 PolarHBondContact OE1-ND2 3Å
127M88.2Confident77.6Confident45 Ų4554.6 Ų54.622%0.22228%0.282CS..EExtended strand (participates in β ladder)trans-130.3127.6173-180-179.5-6000109.1T133 L134 F159 A162 A163M127-T133 CarbonylContact O-C 3.57Å; M127-T133 WeakPolarHBondContact O-CA 3.05Å; M127-L134 PolarHBondContact N-O 2.97Å; M127-L134 WeakPolarHBondContact O-CD1 3.19Å; M127-L134 PolarHBondContact O-N 3.35Å; M127-F159 HydrophobicContact CB-CE2 3.93Å; M127-F159 HydrophobicContact CB-CZ 4.34Å; M127-F159 HydrophobicContact CE-CD1 4.37Å; M127-F159 HydrophobicContact CE-CE1 3.79Å; M127-F159 HydrophobicContact CE-CE2 4.14Å; M127-F159 HydrophobicContact CE-CZ 3.67Å; M127-A162 HydrophobicContact SD-CB 3.99Å; M127-A163 HydrophobicContact CE-CB 3.75Å; M127-A163 HydrophobicContact SD-CB 4.36Å
128T91.3Very high77.6Confident94 Ų9452.9 Ų52.958%0.57728%0.276SS*.EExtended strand (participates in β ladder)trans-108.9133174.6-56.60000110.2L132 T133T128-L132 CarbonylContact C-O 3.39Å; T128-L132 WeakPolarHBondContact CA-O 3.4Å; T128-T133 PolarHBondContact OG1-OG1 3.17Å
129I90.9Very high77.9Confident18 Ų1846.2 Ų46.29%0.09225%0.252CS..EExtended strand (participates in β ladder)trans-142115.4175.5178.8159.2000109.6N131 L132 L134 A162 P165 L208 V220 N222I129-N131 PolarHBondContact O-N 2.98Å; I129-L132 PolarHBondContact N-O 2.91Å; I129-L132 WeakPolarHBondContact O-CB 3.08Å; I129-L132 PolarHBondContact O-N 3.34Å; I129-L132 VanDerWaalsContact O-N 3.13Å; I129-L134 HydrophobicContact CG2-CD1 3.88Å; I129-A162 HydrophobicContact CG2-CB 4.26Å; I129-P165 HydrophobicContact CD1-CB 4.26Å; I129-P165 HydrophobicContact CD1-CG 3.63Å; I129-L208 HydrophobicContact CB-CD1 4.2Å; I129-L208 HydrophobicContact CD1-CD1 3.82Å; I129-L208 HydrophobicContact CG1-CD1 3.92Å; I129-L208 HydrophobicContact CG2-CD1 3.27Å; I129-V220 HydrophobicContact CD1-CG1 4.11Å; I129-N222 HydrophobicContact CD1-CB 4.33Å; I129-N222 HydrophobicContact CG1-CB 4.01Å
130G91.5Very high78.5Confident36 Ų3647.9 Ų47.937%0.37126%0.26SS..THydrogen-bonded Turntrans62.5-129.2-169.800000110.8T207 N222G130-T207 WeakPolarHBondContact CA-OG1 3.41Å; G130-N222 VanDerWaalsContact CA-ND2 3.31Å; G130-N222 WeakPolarHBondContact CA-ND2 3.4Å; G130-N222 PolarHBondContact N-ND2 2.84Å
131N94.4Very high79.8Confident59 Ų5945 Ų4532%0.31624%0.244SC..THydrogen-bonded Turntrans-90.94.8175.271.6-16.3000114.1I129 V143 N205 A206 T207I129-N131 PolarHBondContact O-N 2.98Å; N131-V143 HydrophobicContact CB-CG1 4.33Å; N131-V143 VanDerWaalsContact ND2-CG1 3.25Å; N131-V143 WeakPolarHBondContact ND2-CG1 3.4Å; N131-N205 PolarHBondContact ND2-O 2.76Å; N131-A206 VanDerWaalsContact OD1-CA 3.32Å; N131-A206 WeakPolarHBondContact OD1-CA 3.24Å; N131-T207 HydrophobicContact CB-CG2 4.43Å; N131-T207 PolarHBondContact N-OG1 2.88Å; N131-T207 PolarHBondContact OD1-N 2.9Å; N131-T207 PolarHBondContact OD1-OG1 3.33Å
132L95.6Very high81.2Confident0 Ų048.6 Ų48.60%026%0.261CS..EExtended strand (participates in β ladder)trans-101.6126.9-176.7-178.571.5000110.5T128 I129 L134 L141 Q142 V143 L201 L204 A206 L208T128-L132 CarbonylContact C-O 3.39Å; T128-L132 WeakPolarHBondContact CA-O 3.4Å; I129-L132 PolarHBondContact N-O 2.91Å; I129-L132 WeakPolarHBondContact O-CB 3.08Å; I129-L132 PolarHBondContact O-N 3.34Å; I129-L132 VanDerWaalsContact O-N 3.13Å; L132-L134 HydrophobicContact CD2-CD1 3.87Å; L132-L134 HydrophobicContact CD2-CG 4.47Å; L132-L134 HydrophobicContact CG-CD1 3.96Å; L132-L141 HydrophobicContact CD1-CB 3.95Å; L132-L141 HydrophobicContact CD1-CD1 4.38Å; L132-L141 HydrophobicContact CD1-CD2 4.31Å; L132-L141 HydrophobicContact CD1-CG 4.44Å; L132-Q142 WeakPolarHBondContact CA-O 3.15Å; L132-V143 HydrophobicContact CB-CG2 4.36Å; L132-V143 HydrophobicContact CD1-CG2 3.71Å; L132-L201 HydrophobicContact CD1-CD2 4.38Å; L132-L201 HydrophobicContact CD2-CD2 3.54Å; L132-L204 HydrophobicContact CD1-CD1 4.46Å; L132-A206 HydrophobicContact CB-CB 4.34Å; L132-A206 HydrophobicContact CD1-CB 4.3Å; L132-L208 HydrophobicContact CD2-CB 4.31Å; L132-L208 HydrophobicContact CD2-CD1 4.22Å
133T92.3Very high83.1Confident29 Ų2944.5 Ų44.518%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-107.1131.8166.5-62.10000109.6E126 M127 T128 L141 Q142E126-T133 HydrophobicContact CB-CG2 4.41Å; M127-T133 CarbonylContact O-C 3.57Å; M127-T133 WeakPolarHBondContact O-CA 3.05Å; T128-T133 PolarHBondContact OG1-OG1 3.17Å; T133-L141 CarbonylContact O-C 3.6Å; T133-L141 WeakPolarHBondContact O-CA 3.49Å; T133-Q142 PolarHBondContact N-O 2.89Å; T133-Q142 PolarHBondContact O-N 2.96Å
134L92.1Very high84.6Confident0 Ų047.6 Ų47.60%026%0.261CS..EExtended strand (participates in β ladder)trans-106.1115.6174.7-6177.4000107.4E126 M127 I129 L132 E140 L141 F155 L158 F159 A162E126-L134 CarbonylContact C-O 3.48Å; E126-L134 VanDerWaalsContact CA-O 3.27Å; E126-L134 WeakPolarHBondContact CA-O 3.49Å; M127-L134 PolarHBondContact N-O 2.97Å; M127-L134 WeakPolarHBondContact O-CD1 3.19Å; M127-L134 PolarHBondContact O-N 3.35Å; I129-L134 HydrophobicContact CG2-CD1 3.88Å; L132-L134 HydrophobicContact CD2-CD1 3.87Å; L132-L134 HydrophobicContact CD2-CG 4.47Å; L132-L134 HydrophobicContact CG-CD1 3.96Å; L134-E140 CarbonylContact C-O 3.49Å; L134-E140 WeakPolarHBondContact CA-O 3.41Å; L134-L141 HydrophobicContact CB-CD2 4.34Å; L134-L141 HydrophobicContact CD2-CD2 4.4Å; L134-L141 HydrophobicContact CG-CD2 3.76Å; L134-F155 HydrophobicContact CB-CE2 4.09Å; L134-F155 HydrophobicContact CB-CZ 4Å; L134-L158 HydrophobicContact CD2-CD2 4.4Å; L134-L158 HydrophobicContact CD2-CG 4Å; L134-F159 HydrophobicContact CB-CD2 4.08Å; L134-F159 HydrophobicContact CB-CE2 4.49Å; L134-F159 HydrophobicContact CD2-CB 4.15Å; L134-F159 HydrophobicContact CD2-CD2 3.94Å; L134-F159 HydrophobicContact CD2-CG 4.42Å; L134-A162 HydrophobicContact CD2-CB 4.14Å
135N84.4Confident86Confident16 Ų1648.6 Ų48.69%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-103.4114.5174.6-179.4-55.5000109.5E126 S137 Y138 L139 E140 F155E126-N135 HydrophobicContact CG-CB 4.17Å; E126-N135 PolarHBondContact OE1-ND2 3Å; N135-S137 WeakPolarHBondContact OD1-CB 3.3Å; N135-S137 PolarHBondContact OD1-N 3.24Å; N135-Y138 VanDerWaalsContact CG-CD2 3.47Å; N135-Y138 WeakPolarHBondContact ND2-CD2 3.41Å; N135-Y138 WeakPolarHBondContact OD1-CD2 3.5Å; N135-Y138 PolarHBondContact OD1-N 2.89Å; N135-L139 WeakPolarHBondContact O-CA 3.43Å; N135-L139 PolarHBondContact O-N 3.01Å; N135-E140 HydrophobicContact CB-CB 4.48Å; N135-E140 PolarHBondContact N-O 3.39Å; N135-E140 PolarHBondContact O-N 3.45Å; N135-F155 WeakPolarHBondContact O-CE2 3.22Å; N135-F155 WeakPolarHBondContact O-CZ 3.38Å
136Q78.1Confident86.9Confident18 Ų1851.9 Ų51.98%0.08428%0.275CS..THydrogen-bonded Turntrans-75.4-34.1-174.5-167164.812.300113.2N120 S123 S125 Y138 L139 F155 F159N120-Q136 HydrophobicContact CB-CG 3.69Å; N120-Q136 VanDerWaalsContact CG-NE2 3.26Å; N120-Q136 PolarHBondContact ND2-NE2 3.07Å; N120-Q136 VanDerWaalsContact ND2-NE2 3.17Å; S123-Q136 VanDerWaalsContact OG-CD 3.24Å; S123-Q136 VanDerWaalsContact OG-CG 3.29Å; S123-Q136 WeakPolarHBondContact OG-CG 3.37Å; S123-Q136 PolarHBondContact OG-OE1 3.36Å; S125-Q136 VanDerWaalsContact O-CB 3.24Å; S125-Q136 WeakPolarHBondContact O-CB 3.34Å; S125-Q136 PolarHBondContact O-N 3.24Å; S125-Q136 PolarHBondContact OG-OE1 3.07Å; Q136-Y138 VanDerWaalsContact C-N 3.27Å; Q136-Y138 PolarHBondContact O-N 2.84Å; Q136-L139 WeakPolarHBondContact O-CD2 3.4Å; Q136-L139 PolarHBondContact O-N 3.42Å; Q136-F155 VanDerWaalsContact CA-CZ 3.49Å; Q136-F155 HydrophobicContact CB-CE1 3.89Å; Q136-F155 HydrophobicContact CB-CZ 4.05Å; Q136-F155 HydrophobicContact CG-CE1 3.78Å; Q136-F155 HydrophobicContact CG-CZ 4.44Å; Q136-F159 HydrophobicContact CB-CE2 4.39Å
137S67.2Low87.2Confident12 Ų1250 Ų508%0.08427%0.272CS..THydrogen-bonded Turntrans-57.6-40.6175-59.30000112.1I121 S123 N124 N135I121-S137 CarbonylContact O-C 3.16Å; I121-S137 VanDerWaalsContact O-CA 3.31Å; I121-S137 WeakPolarHBondContact O-CA 3.35Å; S123-S137 VanDerWaalsContact C-OG 3.27Å; S123-S137 PolarHBondContact O-N 3.5Å; S123-S137 PolarHBondContact O-OG 2.98Å; N124-S137 PolarHBondContact OD1-OG 3.47Å; N135-S137 WeakPolarHBondContact OD1-CB 3.3Å; N135-S137 PolarHBondContact OD1-N 3.24Å
138Y73.8Confident87.3Confident121 Ų12149.2 Ų49.248%0.47527%0.269SS..THydrogen-bonded Turntrans-100.3-5.2-176.9-55.5-60.4000113.6R45 N135 Q136 E140R45-Y138 PolarHBondContact NH1-O 3.33Å; R45-Y138 PolarHBondContact NH2-O 3.49Å; N135-Y138 VanDerWaalsContact CG-CD2 3.47Å; N135-Y138 WeakPolarHBondContact ND2-CD2 3.41Å; N135-Y138 WeakPolarHBondContact OD1-CD2 3.5Å; N135-Y138 PolarHBondContact OD1-N 2.89Å; Q136-Y138 VanDerWaalsContact C-N 3.27Å; Q136-Y138 PolarHBondContact O-N 2.84Å; Y138-E140 PolarHBondContact O-N 3.35Å
139L79.4Confident86.8Confident6 Ų647.5 Ų47.53%0.03126%0.258CS..THydrogen-bonded Turntrans51.341.9-167.7-53.2177.3000111.4N135 Q136 T149 L150 N152 F155N135-L139 WeakPolarHBondContact O-CA 3.43Å; N135-L139 PolarHBondContact O-N 3.01Å; Q136-L139 WeakPolarHBondContact O-CD2 3.4Å; Q136-L139 PolarHBondContact O-N 3.42Å; L139-T149 WeakPolarHBondContact O-CA 3.43Å; L139-L150 PolarHBondContact O-N 3.41Å; L139-N152 HydrophobicContact CD1-CB 3.74Å; L139-F155 VanDerWaalsContact C-CD2 3.47Å; L139-F155 HydrophobicContact CB-CB 4.22Å; L139-F155 HydrophobicContact CB-CD2 4.09Å; L139-F155 HydrophobicContact CB-CG 4.05Å; L139-F155 HydrophobicContact CD2-CB 4.01Å; L139-F155 HydrophobicContact CD2-CD1 3.5Å; L139-F155 VanDerWaalsContact CD2-CD1 3.5Å; L139-F155 HydrophobicContact CD2-CD2 4.39Å; L139-F155 HydrophobicContact CD2-CE1 4.1Å; L139-F155 HydrophobicContact CD2-CG 3.69Å; L139-F155 HydrophobicContact CG-CG 4.49Å
140E86.1Confident86.6Confident56 Ų5646.9 Ų46.926%0.26226%0.255SS..EExtended strand (participates in β ladder)trans-108.8141.7-172.2-79.1-177.4-176.500112.5L134 N135 Y138 M148 T149L134-E140 CarbonylContact C-O 3.49Å; L134-E140 WeakPolarHBondContact CA-O 3.41Å; N135-E140 HydrophobicContact CB-CB 4.48Å; N135-E140 PolarHBondContact N-O 3.39Å; N135-E140 PolarHBondContact O-N 3.45Å; Y138-E140 PolarHBondContact O-N 3.35Å; E140-M148 CarbonylContact C-O 3.57Å; E140-M148 WeakPolarHBondContact CA-O 3.5Å; E140-T149 HydrophobicContact CG-CG2 3.45Å; E140-T149 VanDerWaalsContact CG-CG2 3.45Å; E140-T149 WeakPolarHBondContact OE1-CG2 3.42Å
141L92.2Very high86.2Confident0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-103.5132.3165.9-62.8-168.3000109.3L132 T133 L134 T147 M148 L150 F155 L158 L201 L204L132-L141 HydrophobicContact CD1-CB 3.95Å; L132-L141 HydrophobicContact CD1-CD1 4.38Å; L132-L141 HydrophobicContact CD1-CD2 4.31Å; L132-L141 HydrophobicContact CD1-CG 4.44Å; T133-L141 CarbonylContact O-C 3.6Å; T133-L141 WeakPolarHBondContact O-CA 3.49Å; L134-L141 HydrophobicContact CB-CD2 4.34Å; L134-L141 HydrophobicContact CD2-CD2 4.4Å; L134-L141 HydrophobicContact CG-CD2 3.76Å; L141-T147 CarbonylContact O-C 3.57Å; L141-T147 VanDerWaalsContact O-CA 3.27Å; L141-T147 WeakPolarHBondContact O-CA 3.19Å; L141-M148 PolarHBondContact N-O 2.84Å; L141-M148 PolarHBondContact O-N 3.4Å; L141-L150 HydrophobicContact CB-CD1 4.36Å; L141-L150 HydrophobicContact CD1-CD1 3.66Å; L141-L150 HydrophobicContact CD1-CD2 3.68Å; L141-L150 HydrophobicContact CD1-CG 4.33Å; L141-L150 HydrophobicContact CD2-CD2 4.36Å; L141-L150 HydrophobicContact CG-CD1 3.63Å; L141-L150 HydrophobicContact CG-CD2 3.9Å; L141-L150 HydrophobicContact CG-CG 4.4Å; L141-F155 HydrophobicContact CD2-CE2 4.4Å; L141-L158 HydrophobicContact CD1-CD2 3.63Å; L141-L158 HydrophobicContact CD2-CD2 3.66Å; L141-L158 HydrophobicContact CG-CD2 4.26Å; L141-L201 HydrophobicContact CD1-CD2 4.13Å; L141-L204 HydrophobicContact CB-CD1 3.54Å; L141-L204 HydrophobicContact CD1-CD1 4.09Å; L141-L204 HydrophobicContact CG-CD1 4.49Å
142Q91.3Very high85.5Confident83 Ų8344.8 Ų44.839%0.38824%0.238SC..EExtended strand (participates in β ladder)trans-126.7130.7176.9-175.8175.7-16.700111.2L132 T133 S144 K146 T147L132-Q142 WeakPolarHBondContact CA-O 3.15Å; T133-Q142 PolarHBondContact N-O 2.89Å; T133-Q142 PolarHBondContact O-N 2.96Å; Q142-S144 WeakPolarHBondContact CG-O 3.31Å; Q142-S144 PolarHBondContact NE2-O 3.42Å; Q142-K146 WeakPolarHBondContact CA-O 3.37Å; Q142-T147 HydrophobicContact CB-CG2 4.1Å; Q142-T147 HydrophobicContact CG-CG2 3.84Å
143V94Very high85.2Confident7 Ų746.1 Ų46.14%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-128112.3167.2176.60000107.9N131 L132 N145 K146 L204 A206N131-V143 HydrophobicContact CB-CG1 4.33Å; N131-V143 VanDerWaalsContact ND2-CG1 3.25Å; N131-V143 WeakPolarHBondContact ND2-CG1 3.4Å; L132-V143 HydrophobicContact CB-CG2 4.36Å; L132-V143 HydrophobicContact CD1-CG2 3.71Å; V143-N145 PolarHBondContact O-N 2.89Å; V143-N145 VanDerWaalsContact O-N 3.13Å; V143-K146 PolarHBondContact N-O 2.78Å; V143-K146 PolarHBondContact O-N 2.65Å; V143-L204 HydrophobicContact CB-CB 4.34Å; V143-L204 WeakPolarHBondContact CB-O 3.39Å; V143-L204 WeakPolarHBondContact CG1-O 3.33Å; V143-L204 HydrophobicContact CG2-CB 3.92Å; V143-A206 HydrophobicContact CG2-CB 4.1Å
144S87.5Confident85.2Confident94 Ų9444.8 Ų44.866%0.65724%0.235SC*.THydrogen-bonded Turntrans51.9-115.5-172.3-52.30000111.3Q142Q142-S144 WeakPolarHBondContact CG-O 3.31Å; Q142-S144 PolarHBondContact NE2-O 3.42Å
145N84.4Confident85.1Confident164 Ų16444.9 Ų44.988%0.87724%0.236SC*.THydrogen-bonded Turntrans-96.86.4-179.8-63.7-11.9000113.4V143V143-N145 PolarHBondContact O-N 2.89Å; V143-N145 VanDerWaalsContact O-N 3.13Å
146K90.6Very high85.4Confident110 Ų11045.7 Ų45.748%0.47824%0.239SC..EExtended strand (participates in β ladder)trans-101.5119177.8-65.1-178.3-179.3178.40109.3Q142 V143 L204Q142-K146 WeakPolarHBondContact CA-O 3.37Å; V143-K146 PolarHBondContact N-O 2.78Å; V143-K146 PolarHBondContact O-N 2.65Å; K146-L204 HydrophobicContact CB-CD2 3.84Å
147T86.6Confident86.2Confident81 Ų8144.9 Ų44.950%0.49724%0.235SC..EExtended strand (participates in β ladder)trans-108.4151.3172.155.30000110.4L141 Q142L141-T147 CarbonylContact O-C 3.57Å; L141-T147 VanDerWaalsContact O-CA 3.27Å; L141-T147 WeakPolarHBondContact O-CA 3.19Å; Q142-T147 HydrophobicContact CB-CG2 4.1Å; Q142-T147 HydrophobicContact CG-CG2 3.84Å
148M88.7Confident87.6Confident30 Ų3044.3 Ų44.315%0.14823%0.231CC..EExtended strand (participates in β ladder)trans-149.6125.7175.2-179.5-174.4-59.600109.8E140 L141 L150 R200 K203 L204E140-M148 CarbonylContact C-O 3.57Å; E140-M148 WeakPolarHBondContact CA-O 3.5Å; L141-M148 PolarHBondContact N-O 2.84Å; L141-M148 PolarHBondContact O-N 3.4Å; M148-L150 HydrophobicContact CG-CD1 4.02Å; M148-L150 HydrophobicContact SD-CD1 4.11Å; M148-R200 HydrophobicContact CE-CB 4.44Å; M148-R200 HydrophobicContact SD-CB 3.63Å; M148-R200 HydrophobicContact SD-CG 3.63Å; M148-K203 HydrophobicContact CE-CB 4.23Å; M148-K203 HydrophobicContact CE-CD 3.87Å; M148-K203 HydrophobicContact CE-CG 4.18Å; M148-L204 HydrophobicContact CB-CD1 4.04Å; M148-L204 HydrophobicContact CB-CD2 4.08Å; M148-L204 HydrophobicContact CB-CG 4.37Å; M148-L204 HydrophobicContact CE-CD1 4.38Å; M148-L204 HydrophobicContact CE-CD2 4.1Å; M148-L204 HydrophobicContact CE-CG 3.88Å
149T82.4Confident88.5Confident58 Ų5840.1 Ų40.136%0.35622%0.215SC..EExtended strand (participates in β ladder)trans-78.7142.7170.752.40000110.8L139 E140L139-T149 WeakPolarHBondContact O-CA 3.43Å; E140-T149 HydrophobicContact CG-CG2 3.45Å; E140-T149 VanDerWaalsContact CG-CG2 3.45Å; E140-T149 WeakPolarHBondContact OE1-CG2 3.42Å
150L85.6Confident89.2Confident4 Ų441.1 Ų41.12%0.02122%0.22CC..  trans-114.2149.4177.4-91.858.3000110.7L139 L141 M148 E154 F155 L158 L197L139-L150 PolarHBondContact O-N 3.41Å; L141-L150 HydrophobicContact CB-CD1 4.36Å; L141-L150 HydrophobicContact CD1-CD1 3.66Å; L141-L150 HydrophobicContact CD1-CD2 3.68Å; L141-L150 HydrophobicContact CD1-CG 4.33Å; L141-L150 HydrophobicContact CD2-CD2 4.36Å; L141-L150 HydrophobicContact CG-CD1 3.63Å; L141-L150 HydrophobicContact CG-CD2 3.9Å; L141-L150 HydrophobicContact CG-CG 4.4Å; M148-L150 HydrophobicContact CG-CD1 4.02Å; M148-L150 HydrophobicContact SD-CD1 4.11Å; L150-E154 HydrophobicContact CB-CB 4.46Å; L150-E154 HydrophobicContact CD2-CB 4.31Å; L150-E154 HydrophobicContact CG-CB 4.47Å; L150-F155 HydrophobicContact CB-CB 4.04Å; L150-L158 HydrophobicContact CD2-CD2 4.26Å; L150-L197 HydrophobicContact CD2-CD2 3.54Å
151P84.3Confident89.7Confident45 Ų4538.5 Ų38.529%0.29221%0.208SC..  trans-55148.8160-21.833.6000110.6K153 E154 F155P151-K153 PolarHBondContact O-N 3Å; P151-E154 HydrophobicContact CB-CB 4.47Å; P151-E154 HydrophobicContact CB-CG 4.26Å; P151-E154 WeakPolarHBondContact CD-OE2 3.08Å; P151-E154 HydrophobicContact CG-CG 4.33Å; P151-E154 WeakPolarHBondContact O-CB 3.49Å; P151-E154 PolarHBondContact O-N 3.09Å; P151-E154 VanDerWaalsContact O-N 3.15Å; P151-F155 PolarHBondContact O-N 3.09Å
152N79.7Confident89.7Confident7 Ų738.6 Ų38.64%0.03721%0.209CC..Hα-helixtrans-62-45.6-168.5164.866.7000113.4D72 Y119 L139 E154 F155 Q156D72-N152 VanDerWaalsContact OD2-C 3.26Å; D72-N152 WeakPolarHBondContact OD2-CA 3.4Å; D72-N152 WeakPolarHBondContact OD2-CB 3.47Å; D72-N152 PolarHBondContact OD2-ND2 3.33Å; Y119-N152 WeakPolarHBondContact CD1-ND2 3.22Å; Y119-N152 WeakPolarHBondContact CE1-ND2 3.18Å; L139-N152 HydrophobicContact CD1-CB 3.74Å; N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact O-N 2.89Å; N152-F155 PolarHBondContact O-N 3.19Å; N152-F155 VanDerWaalsContact O-N 3.11Å; N152-Q156 PolarHBondContact ND2-NE2 2.95Å; N152-Q156 VanDerWaalsContact ND2-NE2 3.16Å; N152-Q156 WeakPolarHBondContact O-CB 3.45Å; N152-Q156 VanDerWaalsContact O-CG 3.29Å; N152-Q156 WeakPolarHBondContact O-CG 3.49Å; N152-Q156 PolarHBondContact O-N 3.49Å; N152-Q156 PolarHBondContact OD1-NE2 3.46Å
153K88.4Confident89.7Confident28 Ų2837 Ų3712%0.12221%0.21CC..Hα-helixtrans-61.5-38.8176.9-70.8-30.9-174.1178.90111.6D72 P151 L157 I178 W179D72-K153 HydrophobicContact CB-CG 4.29Å; D72-K153 VanDerWaalsContact CG-CG 3.44Å; D72-K153 WeakPolarHBondContact OD1-CD 3.21Å; D72-K153 WeakPolarHBondContact OD1-CE 3.39Å; D72-K153 IonicContact OD1-NZ 3.85Å; D72-K153 VanDerWaalsContact OD2-CD 3.28Å; D72-K153 WeakPolarHBondContact OD2-CD 3.21Å; D72-K153 WeakPolarHBondContact OD2-CG 3.26Å; D72-K153 PolarHBondContact OD2-N 3.42Å; P151-K153 PolarHBondContact O-N 3Å; K153-L157 WeakPolarHBondContact O-CB 3.21Å; K153-L157 PolarHBondContact O-N 3.47Å; K153-I178 HydrophobicContact CB-CG2 4.34Å; K153-I178 HydrophobicContact CD-CG2 3.84Å; K153-I178 WeakPolarHBondContact CE-O 3.34Å; K153-I178 HydrophobicContact CG-CG2 4.43Å; K153-I178 PolarHBondContact NZ-O 3.35Å; K153-W179 HydrophobicContact CB-CZ2 4.15Å; K153-W179 HydrophobicContact CG-CZ2 4.14Å
154E92.9Very high89.6Confident1 Ų143.3 Ų43.31%0.00523%0.233CC..Hα-helixtrans-63.2-47.1175.8-65.5-176.8-164.100110.3L150 P151 N152 L157 L158 R196 L197 R200L150-E154 HydrophobicContact CB-CB 4.46Å; L150-E154 HydrophobicContact CD2-CB 4.31Å; L150-E154 HydrophobicContact CG-CB 4.47Å; P151-E154 HydrophobicContact CB-CB 4.47Å; P151-E154 HydrophobicContact CB-CG 4.26Å; P151-E154 WeakPolarHBondContact CD-OE2 3.08Å; P151-E154 HydrophobicContact CG-CG 4.33Å; P151-E154 WeakPolarHBondContact O-CB 3.49Å; P151-E154 PolarHBondContact O-N 3.09Å; P151-E154 VanDerWaalsContact O-N 3.15Å; N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact O-N 2.89Å; E154-L157 PolarHBondContact O-N 2.79Å; E154-L158 WeakPolarHBondContact O-CB 3.34Å; E154-L158 PolarHBondContact O-N 3.03Å; E154-R196 WeakPolarHBondContact OE1-CD 3.23Å; E154-R196 IonicContact OE1-NH1 3.93Å; E154-L197 HydrophobicContact CB-CD2 3.89Å; E154-L197 HydrophobicContact CB-CG 4.27Å; E154-L197 WeakPolarHBondContact O-CD2 3.44Å; E154-R200 IonicContact OE1-NH2 2.76Å; E154-R200 IonicContact OE2-CZ 3.17Å; E154-R200 IonicContact OE2-NE 2.76Å; E154-R200 PolarHBondContact OE2-NE 2.81Å; E154-R200 IonicContact OE2-NH2 3.32Å; E154-R200 PolarHBondContact OE2-NH2 3.32Å
155F90.2Very high89.8Confident1 Ų142 Ų420%0.00422%0.222CC..Hα-helixtrans-62.1-49.7177.2-174.3-84.6000111.8L134 N135 Q136 L139 L141 L150 P151 N152 L157 L158 F159L134-F155 HydrophobicContact CB-CE2 4.09Å; L134-F155 HydrophobicContact CB-CZ 4Å; N135-F155 WeakPolarHBondContact O-CE2 3.22Å; N135-F155 WeakPolarHBondContact O-CZ 3.38Å; Q136-F155 VanDerWaalsContact CA-CZ 3.49Å; Q136-F155 HydrophobicContact CB-CE1 3.89Å; Q136-F155 HydrophobicContact CB-CZ 4.05Å; Q136-F155 HydrophobicContact CG-CE1 3.78Å; Q136-F155 HydrophobicContact CG-CZ 4.44Å; L139-F155 VanDerWaalsContact C-CD2 3.47Å; L139-F155 HydrophobicContact CB-CB 4.22Å; L139-F155 HydrophobicContact CB-CD2 4.09Å; L139-F155 HydrophobicContact CB-CG 4.05Å; L139-F155 HydrophobicContact CD2-CB 4.01Å; L139-F155 HydrophobicContact CD2-CD1 3.5Å; L139-F155 VanDerWaalsContact CD2-CD1 3.5Å; L139-F155 HydrophobicContact CD2-CD2 4.39Å; L139-F155 HydrophobicContact CD2-CE1 4.1Å; L139-F155 HydrophobicContact CD2-CG 3.69Å; L139-F155 HydrophobicContact CG-CG 4.49Å; L141-F155 HydrophobicContact CD2-CE2 4.4Å; L150-F155 HydrophobicContact CB-CB 4.04Å; P151-F155 PolarHBondContact O-N 3.09Å; N152-F155 PolarHBondContact O-N 3.19Å; N152-F155 VanDerWaalsContact O-N 3.11Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.15Å; F155-L158 PolarHBondContact O-N 3.39Å; F155-F159 HydrophobicContact CD1-CB 4.33Å; F155-F159 HydrophobicContact CE1-CB 4Å; F155-F159 AromaticContact CE1-CD2 3.69Å; F155-F159 HydrophobicContact CE1-CD2 3.69Å; F155-F159 HydrophobicContact CE1-CG 4.11Å; F155-F159 AromaticContact CZ-CD2 3.81Å; F155-F159 HydrophobicContact CZ-CD2 3.81Å; F155-F159 VanDerWaalsContact O-CB 3.26Å; F155-F159 WeakPolarHBondContact O-CB 3.49Å; F155-F159 PolarHBondContact O-N 3.23Å
156Q89.7Confident90.2Very high34 Ų3441.7 Ų41.716%0.15921%0.213CC..Hα-helixtrans-58.8-44.1179.8-68.9-179.3-0.100111.5N152 F159 M160 I178N152-Q156 PolarHBondContact ND2-NE2 2.95Å; N152-Q156 VanDerWaalsContact ND2-NE2 3.16Å; N152-Q156 WeakPolarHBondContact O-CB 3.45Å; N152-Q156 VanDerWaalsContact O-CG 3.29Å; N152-Q156 WeakPolarHBondContact O-CG 3.49Å; N152-Q156 PolarHBondContact O-N 3.49Å; N152-Q156 PolarHBondContact OD1-NE2 3.46Å; Q156-F159 PolarHBondContact O-N 3.3Å; Q156-M160 VanDerWaalsContact O-CB 3.28Å; Q156-M160 WeakPolarHBondContact O-CB 3.43Å; Q156-M160 PolarHBondContact O-N 3.45Å; Q156-I178 HydrophobicContact CB-CD1 3.8Å; Q156-I178 HydrophobicContact CB-CG2 4.38Å
157L95.3Very high90.5Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-60.7-50.7176.1175.254.6000111.3K153 E154 F155 F159 M160 L161 I174 H193 I194 L197K153-L157 WeakPolarHBondContact O-CB 3.21Å; K153-L157 PolarHBondContact O-N 3.47Å; E154-L157 PolarHBondContact O-N 2.79Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.15Å; L157-F159 PolarHBondContact O-N 3.35Å; L157-M160 HydrophobicContact CD1-CE 4.01Å; L157-M160 PolarHBondContact O-N 3.3Å; L157-L161 HydrophobicContact CD1-CD1 4Å; L157-L161 HydrophobicContact CD1-CG 4.15Å; L157-L161 HydrophobicContact CG-CD1 4.34Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.18Å; L157-L161 PolarHBondContact O-N 2.81Å; L157-L161 VanDerWaalsContact O-N 3.07Å; L157-I174 HydrophobicContact CD1-CD1 4.28Å; L157-I174 HydrophobicContact CD1-CG1 4.21Å; L157-I174 HydrophobicContact CD1-CG2 3.55Å; L157-H193 HydrophobicContact CD2-CB 3.81Å; L157-I194 HydrophobicContact CD1-CD1 4.47Å; L157-I194 HydrophobicContact CD2-CD1 3.83Å; L157-I194 HydrophobicContact CD2-CG1 4.1Å; L157-I194 HydrophobicContact CG-CD1 4.28Å; L157-L197 HydrophobicContact CB-CD1 4.23Å; L157-L197 HydrophobicContact CD2-CD1 3.88Å; L157-L197 HydrophobicContact CG-CD1 3.91Å
158L96.6Very high91Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-62.6-43.5179.5178.757.1000111.6L134 L141 L150 E154 F155 L161 A162 L197 L201 L208 I210L134-L158 HydrophobicContact CD2-CD2 4.4Å; L134-L158 HydrophobicContact CD2-CG 4Å; L141-L158 HydrophobicContact CD1-CD2 3.63Å; L141-L158 HydrophobicContact CD2-CD2 3.66Å; L141-L158 HydrophobicContact CG-CD2 4.26Å; L150-L158 HydrophobicContact CD2-CD2 4.26Å; E154-L158 WeakPolarHBondContact O-CB 3.34Å; E154-L158 PolarHBondContact O-N 3.03Å; F155-L158 PolarHBondContact O-N 3.39Å; L158-L161 PolarHBondContact O-N 3.06Å; L158-A162 WeakPolarHBondContact O-CB 3.36Å; L158-A162 PolarHBondContact O-N 3.33Å; L158-L197 HydrophobicContact CB-CD1 4.01Å; L158-L197 HydrophobicContact CB-CD2 3.89Å; L158-L197 HydrophobicContact CD2-CD2 4.08Å; L158-L201 HydrophobicContact CD1-CD1 4.21Å; L158-L201 HydrophobicContact CD2-CD2 4.06Å; L158-L208 HydrophobicContact CD1-CD2 3.87Å; L158-I210 HydrophobicContact CD1-CD1 4.15Å; L158-I210 HydrophobicContact CD1-CG1 4.46Å
159F92.2Very high91.4Very high33 Ų3337.7 Ų37.715%0.14519%0.191CC..Hα-helixtrans-62.7-44.7178.8-166.2-83000111.5M127 L134 Q136 F155 Q156 L157 L161 A162 A163M127-F159 HydrophobicContact CB-CE2 3.93Å; M127-F159 HydrophobicContact CB-CZ 4.34Å; M127-F159 HydrophobicContact CE-CD1 4.37Å; M127-F159 HydrophobicContact CE-CE1 3.79Å; M127-F159 HydrophobicContact CE-CE2 4.14Å; M127-F159 HydrophobicContact CE-CZ 3.67Å; L134-F159 HydrophobicContact CB-CD2 4.08Å; L134-F159 HydrophobicContact CB-CE2 4.49Å; L134-F159 HydrophobicContact CD2-CB 4.15Å; L134-F159 HydrophobicContact CD2-CD2 3.94Å; L134-F159 HydrophobicContact CD2-CG 4.42Å; Q136-F159 HydrophobicContact CB-CE2 4.39Å; F155-F159 HydrophobicContact CD1-CB 4.33Å; F155-F159 HydrophobicContact CE1-CB 4Å; F155-F159 AromaticContact CE1-CD2 3.69Å; F155-F159 HydrophobicContact CE1-CD2 3.69Å; F155-F159 HydrophobicContact CE1-CG 4.11Å; F155-F159 AromaticContact CZ-CD2 3.81Å; F155-F159 HydrophobicContact CZ-CD2 3.81Å; F155-F159 VanDerWaalsContact O-CB 3.26Å; F155-F159 WeakPolarHBondContact O-CB 3.49Å; F155-F159 PolarHBondContact O-N 3.23Å; Q156-F159 PolarHBondContact O-N 3.3Å; L157-F159 PolarHBondContact O-N 3.35Å; F159-L161 PolarHBondContact O-N 3.04Å; F159-A162 PolarHBondContact O-N 2.94Å; F159-A163 VanDerWaalsContact O-CB 3.27Å; F159-A163 WeakPolarHBondContact O-CB 3.32Å; F159-A163 PolarHBondContact O-N 2.84Å
160M93.6Very high92.1Very high28 Ų2836.9 Ų36.914%0.13819%0.187CC..Hα-helixtrans-59.7-45.1176.5179.2-172.774.500111.9Q156 L157 F169 I174 K177 I178Q156-M160 VanDerWaalsContact O-CB 3.28Å; Q156-M160 WeakPolarHBondContact O-CB 3.43Å; Q156-M160 PolarHBondContact O-N 3.45Å; L157-M160 HydrophobicContact CD1-CE 4.01Å; L157-M160 PolarHBondContact O-N 3.3Å; M160-F169 HydrophobicContact CE-CD1 4.09Å; M160-F169 HydrophobicContact CE-CE1 4.47Å; M160-F169 HydrophobicContact CE-CG 4.31Å; M160-F169 HydrophobicContact CG-CE1 4.14Å; M160-F169 HydrophobicContact CG-CZ 4.3Å; M160-F169 HydrophobicContact SD-CD1 4.36Å; M160-F169 HydrophobicContact SD-CE1 4.3Å; M160-I174 HydrophobicContact CE-CB 4.25Å; M160-I174 HydrophobicContact CE-CG1 3.62Å; M160-I174 HydrophobicContact CE-CG2 4.38Å; M160-K177 HydrophobicContact SD-CB 3.71Å; M160-K177 HydrophobicContact SD-CD 3.48Å; M160-K177 WeakPolarHBondContact SD-CD 3.4Å; M160-K177 HydrophobicContact SD-CG 4.22Å; M160-I178 HydrophobicContact CB-CD1 4.32Å; M160-I178 HydrophobicContact CE-CD1 4.47Å; M160-I178 HydrophobicContact CE-CG1 4.27Å; M160-I178 HydrophobicContact SD-CD1 4.02Å; M160-I178 HydrophobicContact SD-CG1 4.21Å
161L96.5Very high92.5Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-68.4-43178.2-63.5175.7000111.5L157 L158 F159 A163 R164 F169 I194 I210 V220L157-L161 HydrophobicContact CD1-CD1 4Å; L157-L161 HydrophobicContact CD1-CG 4.15Å; L157-L161 HydrophobicContact CG-CD1 4.34Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.18Å; L157-L161 PolarHBondContact O-N 2.81Å; L157-L161 VanDerWaalsContact O-N 3.07Å; L158-L161 PolarHBondContact O-N 3.06Å; F159-L161 PolarHBondContact O-N 3.04Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.4Å; L161-R164 CarbonylContact O-C 3.43Å; L161-R164 PolarHBondContact O-N 3.05Å; L161-F169 HydrophobicContact CD2-CB 4.01Å; L161-F169 HydrophobicContact CD2-CD2 3.42Å; L161-F169 VanDerWaalsContact CD2-CD2 3.42Å; L161-F169 HydrophobicContact CD2-CE2 4.07Å; L161-F169 HydrophobicContact CD2-CG 3.91Å; L161-I194 HydrophobicContact CD1-CD1 3.96Å; L161-I210 HydrophobicContact CD1-CG2 4.13Å; L161-V220 HydrophobicContact CB-CB 4.16Å; L161-V220 HydrophobicContact CB-CG2 3.49Å; L161-V220 VanDerWaalsContact CB-CG2 3.49Å; L161-V220 HydrophobicContact CD1-CG2 4.3Å
162A94Very high92.9Very high3 Ų342 Ų423%0.02520%0.204CC..Hα-helixtrans-66.8-30.6179.600000112.8M127 I129 L134 L158 F159 R164 P165 L208M127-A162 HydrophobicContact SD-CB 3.99Å; I129-A162 HydrophobicContact CG2-CB 4.26Å; L134-A162 HydrophobicContact CD2-CB 4.14Å; L158-A162 WeakPolarHBondContact O-CB 3.36Å; L158-A162 PolarHBondContact O-N 3.33Å; F159-A162 PolarHBondContact O-N 2.94Å; A162-R164 PolarHBondContact O-N 3.13Å; A162-P165 VanDerWaalsContact O-CD 3.31Å; A162-P165 WeakPolarHBondContact O-CD 3.33Å; A162-P165 WeakPolarHBondContact O-CG 3.42Å; A162-L208 HydrophobicContact CB-CD1 4.25Å
163A90.5Very high93.6Very high50 Ų5045.2 Ų45.241%0.41322%0.219SC..THydrogen-bonded Turntrans-63.2-23175.600000113.1M127 F159 L161M127-A163 HydrophobicContact CE-CB 3.75Å; M127-A163 HydrophobicContact SD-CB 4.36Å; F159-A163 VanDerWaalsContact O-CB 3.27Å; F159-A163 WeakPolarHBondContact O-CB 3.32Å; F159-A163 PolarHBondContact O-N 2.84Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.4Å
164R91.7Very high94Very high138 Ų13843.9 Ų43.952%0.52121%0.213SC..SBendtrans-135.972.6-179.9-55.6-167.9-172.4176.9-4110.8L161 A162 Q167 F169L161-R164 CarbonylContact O-C 3.43Å; L161-R164 PolarHBondContact O-N 3.05Å; A162-R164 PolarHBondContact O-N 3.13Å; R164-Q167 HydrophobicContact CB-CB 3.92Å; R164-Q167 VanDerWaalsContact O-CB 3.28Å; R164-Q167 WeakPolarHBondContact O-CB 3.29Å; R164-Q167 PolarHBondContact O-N 3.35Å; R164-Q167 VanDerWaalsContact O-N 3.17Å; R164-F169 HydrophobicContact CB-CE2 4.14Å; R164-F169 HydrophobicContact CB-CZ 4.05Å; R164-F169 HydrophobicContact CG-CZ 4.34Å
165P92.2Very high94Very high66 Ų6644.5 Ų44.543%0.42922%0.216SC..THydrogen-bonded Turntrans-57.3146.7-179-23.135.2000111.5I129 A162 Q167I129-P165 HydrophobicContact CD1-CB 4.26Å; I129-P165 HydrophobicContact CD1-CG 3.63Å; A162-P165 VanDerWaalsContact O-CD 3.31Å; A162-P165 WeakPolarHBondContact O-CD 3.33Å; A162-P165 WeakPolarHBondContact O-CG 3.42Å; P165-Q167 PolarHBondContact O-N 2.93Å
166K92.9Very high93.9Very high158 Ų15850 Ų5069%0.68724%0.242SC*.THydrogen-bonded Turntrans65.7-14.1-175.3-51.2176.7179179.80115.4I168 V220K166-I168 PolarHBondContact O-N 3.28Å; K166-V220 PolarHBondContact N-O 2.72Å
167Q96.1Very high93.8Very high76 Ų7654.2 Ų54.236%0.35526%0.26SS..  trans-69132.8173.3-178.5171.2-7.200110R164 P165 F169 K219R164-Q167 HydrophobicContact CB-CB 3.92Å; R164-Q167 VanDerWaalsContact O-CB 3.28Å; R164-Q167 WeakPolarHBondContact O-CB 3.29Å; R164-Q167 PolarHBondContact O-N 3.35Å; R164-Q167 VanDerWaalsContact O-N 3.17Å; P165-Q167 PolarHBondContact O-N 2.93Å; Q167-F169 HydrophobicContact CB-CE2 4.01Å; Q167-F169 HydrophobicContact CG-CD2 4.27Å; Q167-F169 HydrophobicContact CG-CE2 3.92Å; Q167-F169 HydrophobicContact CG-CZ 4.27Å; Q167-K219 WeakPolarHBondContact O-CA 3.32Å; Q167-K219 WeakPolarHBondContact O-CB 3.42Å
168I97.6Very high93.4Very high57 Ų5754.8 Ų54.829%0.29226%0.263SS..  trans-85.7127.5173.2-55.8169.3000108.3K166 V213 Q216 K219K166-I168 PolarHBondContact O-N 3.28Å; I168-V213 HydrophobicContact CD1-CB 4.3Å; I168-V213 HydrophobicContact CD1-CG1 3.99Å; I168-V213 HydrophobicContact CD1-CG2 3.99Å; I168-V213 HydrophobicContact CG1-CG2 3.96Å; I168-V213 HydrophobicContact CG2-CB 4.39Å; I168-V213 HydrophobicContact CG2-CG2 4.45Å; I168-Q216 HydrophobicContact CG2-CB 3.98Å; I168-K219 HydrophobicContact CG1-CB 4.35Å; I168-K219 HydrophobicContact CG1-CD 4.37Å
169F98.1Very high92.9Very high4 Ų457 Ų572%0.01827%0.271CS..BIsolated β-bridgetrans-109.6127.2169.3-67-97.6000109M160 L161 R164 Q167 I174 G217 Y218M160-F169 HydrophobicContact CE-CD1 4.09Å; M160-F169 HydrophobicContact CE-CE1 4.47Å; M160-F169 HydrophobicContact CE-CG 4.31Å; M160-F169 HydrophobicContact CG-CE1 4.14Å; M160-F169 HydrophobicContact CG-CZ 4.3Å; M160-F169 HydrophobicContact SD-CD1 4.36Å; M160-F169 HydrophobicContact SD-CE1 4.3Å; L161-F169 HydrophobicContact CD2-CB 4.01Å; L161-F169 HydrophobicContact CD2-CD2 3.42Å; L161-F169 VanDerWaalsContact CD2-CD2 3.42Å; L161-F169 HydrophobicContact CD2-CE2 4.07Å; L161-F169 HydrophobicContact CD2-CG 3.91Å; R164-F169 HydrophobicContact CB-CE2 4.14Å; R164-F169 HydrophobicContact CB-CZ 4.05Å; R164-F169 HydrophobicContact CG-CZ 4.34Å; Q167-F169 HydrophobicContact CB-CE2 4.01Å; Q167-F169 HydrophobicContact CG-CD2 4.27Å; Q167-F169 HydrophobicContact CG-CE2 3.92Å; Q167-F169 HydrophobicContact CG-CZ 4.27Å; F169-I174 HydrophobicContact CB-CD1 4.07Å; F169-I174 HydrophobicContact CB-CG1 3.83Å; F169-G217 CarbonylContact O-C 3.46Å; F169-G217 WeakPolarHBondContact O-CA 3.4Å; F169-Y218 PolarHBondContact N-O 2.83Å; F169-Y218 PolarHBondContact O-N 2.97Å
170T96.2Very high92.5Very high42 Ų4256.3 Ų56.326%0.25827%0.274SS..  trans-70.9163.7173.861.50000111E172 Q173 I174 Q216T170-E172 VanDerWaalsContact C-N 3.31Å; T170-E172 WeakPolarHBondContact CB-OE2 2.98Å; T170-Q173 PolarHBondContact O-N 3.35Å; T170-Q173 VanDerWaalsContact OG1-CB 3.3Å; T170-Q173 WeakPolarHBondContact OG1-CB 3.34Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.47Å; T170-Q173 PolarHBondContact OG1-N 2.91Å; T170-Q173 PolarHBondContact OG1-OE1 3.5Å; T170-Q173 VanDerWaalsContact OG1-OE1 3.05Å; T170-I174 WeakPolarHBondContact O-CD1 3.42Å; T170-I174 VanDerWaalsContact O-CG1 3.23Å; T170-I174 WeakPolarHBondContact O-CG1 3.3Å; T170-I174 PolarHBondContact O-N 2.78Å; T170-Q216 VanDerWaalsContact CA-O 3.3Å; T170-Q216 WeakPolarHBondContact CA-O 3.43Å
171R94.3Very high91.9Very high50 Ų5064.8 Ų64.819%0.18931%0.306CS..Hα-helixtrans-65.4-42.9-179.9-77.2177.5176.768.28.8110.4Q173 I174 I175 E187 D191 Y218R171-Q173 PolarHBondContact O-N 3.37Å; R171-I174 CarbonylContact O-C 3.59Å; R171-I174 WeakPolarHBondContact O-CB 3.34Å; R171-I174 PolarHBondContact O-N 3.37Å; R171-I174 VanDerWaalsContact O-N 3.08Å; R171-I175 WeakPolarHBondContact O-CG1 3.29Å; R171-I175 PolarHBondContact O-N 3.44Å; R171-E187 HydrophobicContact CB-CB 4.32Å; R171-E187 WeakPolarHBondContact CB-OE2 3.42Å; R171-D191 IonicContact CZ-OD1 2.65Å; R171-D191 VanDerWaalsContact CZ-OD1 3.28Å; R171-D191 IonicContact NE-OD1 3.99Å; R171-D191 PolarHBondContact NE-OD1 2.91Å; R171-D191 IonicContact NE-OD2 2.65Å; R171-D191 IonicContact NH2-OD1 3.6Å; R171-D191 PolarHBondContact NH2-OD1 2.81Å; R171-D191 IonicContact NH2-OD2 2.85Å; R171-Y218 HydrophobicContact CG-CE2 4.36Å; R171-Y218 PolarHBondContact NH2-OH 2.86Å
172E92.2Very high91Very high105 Ų10570 Ų7049%0.49133%0.334SS..Hα-helixtrans-55.4-49.9175.7-59.281.5170.300110.4T170 I174 I175 E176T170-E172 VanDerWaalsContact C-N 3.31Å; T170-E172 WeakPolarHBondContact CB-OE2 2.98Å; E172-I174 VanDerWaalsContact C-N 3.32Å; E172-I174 PolarHBondContact O-N 3.09Å; E172-I175 PolarHBondContact O-N 2.94Å; E172-E176 WeakPolarHBondContact O-CB 3.44Å; E172-E176 PolarHBondContact O-N 2.88Å
173Q94.1Very high90.5Very high75 Ų7573.4 Ų73.435%0.3535%0.346SS..Hα-helixtrans-63.2-36.6176.3-76.5168.8-25.100113.1T170 R171 K177T170-Q173 PolarHBondContact O-N 3.35Å; T170-Q173 VanDerWaalsContact OG1-CB 3.3Å; T170-Q173 WeakPolarHBondContact OG1-CB 3.34Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.47Å; T170-Q173 PolarHBondContact OG1-N 2.91Å; T170-Q173 PolarHBondContact OG1-OE1 3.5Å; T170-Q173 VanDerWaalsContact OG1-OE1 3.05Å; R171-Q173 PolarHBondContact O-N 3.37Å; Q173-K177 VanDerWaalsContact O-CB 3.31Å; Q173-K177 WeakPolarHBondContact O-CB 3.39Å; Q173-K177 VanDerWaalsContact O-CG 3.22Å; Q173-K177 WeakPolarHBondContact O-CG 3.32Å; Q173-K177 PolarHBondContact O-N 2.81Å; Q173-K177 VanDerWaalsContact O-N 3.17Å
174I96.1Very high90.1Very high0 Ų080.4 Ų80.40%037%0.371CS..Hα-helixtrans-67.5-47.1177-70.5163.7000109.7L157 M160 F169 T170 R171 E172 K177 I178 W179 V190 Y218L157-I174 HydrophobicContact CD1-CD1 4.28Å; L157-I174 HydrophobicContact CD1-CG1 4.21Å; L157-I174 HydrophobicContact CD1-CG2 3.55Å; M160-I174 HydrophobicContact CE-CB 4.25Å; M160-I174 HydrophobicContact CE-CG1 3.62Å; M160-I174 HydrophobicContact CE-CG2 4.38Å; F169-I174 HydrophobicContact CB-CD1 4.07Å; F169-I174 HydrophobicContact CB-CG1 3.83Å; T170-I174 WeakPolarHBondContact O-CD1 3.42Å; T170-I174 VanDerWaalsContact O-CG1 3.23Å; T170-I174 WeakPolarHBondContact O-CG1 3.3Å; T170-I174 PolarHBondContact O-N 2.78Å; R171-I174 CarbonylContact O-C 3.59Å; R171-I174 WeakPolarHBondContact O-CB 3.34Å; R171-I174 PolarHBondContact O-N 3.37Å; R171-I174 VanDerWaalsContact O-N 3.08Å; E172-I174 VanDerWaalsContact C-N 3.32Å; E172-I174 PolarHBondContact O-N 3.09Å; I174-K177 PolarHBondContact O-N 3.24Å; I174-I178 HydrophobicContact CG2-CG1 4.29Å; I174-I178 VanDerWaalsContact O-CB 3.27Å; I174-I178 WeakPolarHBondContact O-CB 3.46Å; I174-I178 VanDerWaalsContact O-CG1 3.27Å; I174-I178 WeakPolarHBondContact O-CG1 3.37Å; I174-I178 PolarHBondContact O-N 3.23Å; I174-W179 HydrophobicContact CG2-CZ3 3.79Å; I174-V190 HydrophobicContact CB-CG1 4.34Å; I174-V190 HydrophobicContact CB-CG2 4.21Å; I174-V190 HydrophobicContact CD1-CG1 3.82Å; I174-V190 HydrophobicContact CG2-CB 4.39Å; I174-V190 HydrophobicContact CG2-CG1 3.81Å; I174-V190 HydrophobicContact CG2-CG2 3.65Å; I174-Y218 HydrophobicContact CD1-CD2 3.83Å
175I93.7Very high89.7Confident14 Ų1475.6 Ų75.67%0.07236%0.364CS..Hα-helixtrans-56.8-54.2177-73.1-58.6000110.6R171 E172 K177 I178 W179 G180 Y183 E187 T189 V190R171-I175 WeakPolarHBondContact O-CG1 3.29Å; R171-I175 PolarHBondContact O-N 3.44Å; E172-I175 PolarHBondContact O-N 2.94Å; I175-K177 VanDerWaalsContact C-N 3.27Å; I175-K177 PolarHBondContact O-N 2.96Å; I175-I178 PolarHBondContact O-N 2.68Å; I175-W179 HydrophobicContact CD1-CD2 3.95Å; I175-W179 HydrophobicContact CD1-CE3 3.67Å; I175-W179 HydrophobicContact CD1-CG 4.38Å; I175-W179 HydrophobicContact CD1-CZ3 4.2Å; I175-W179 WeakPolarHBondContact O-CA 3.38Å; I175-W179 WeakPolarHBondContact O-CB 3.45Å; I175-W179 PolarHBondContact O-N 3.43Å; I175-G180 PolarHBondContact O-N 3.37Å; I175-G180 VanDerWaalsContact O-N 3.08Å; I175-Y183 HydrophobicContact CD1-CD1 3.92Å; I175-Y183 HydrophobicContact CD1-CE1 3.8Å; I175-Y183 HydrophobicContact CG2-CD1 3.54Å; I175-Y183 HydrophobicContact CG2-CE1 4.47Å; I175-Y183 HydrophobicContact CG2-CG 4.08Å; I175-E187 HydrophobicContact CG1-CB 4.32Å; I175-E187 HydrophobicContact CG1-CG 4.16Å; I175-T189 HydrophobicContact CD1-CG2 3.56Å; I175-V190 HydrophobicContact CD1-CG2 3.56Å; I175-V190 HydrophobicContact CG1-CG2 3.87Å
176E89.2Confident89.4Confident118 Ų11877.5 Ų77.555%0.55137%0.371SS*.Hα-helixtrans-57.4-41.9-178.2-171.3-168.6160.600111.8E172 G180E172-E176 WeakPolarHBondContact O-CB 3.44Å; E172-E176 PolarHBondContact O-N 2.88Å; E176-G180 CarbonylContact O-C 3.57Å; E176-G180 WeakPolarHBondContact O-CA 3.5Å; E176-G180 PolarHBondContact O-N 2.76Å
177K86.5Confident89Confident122 Ų12273.3 Ų73.353%0.5335%0.353SS..Hα-helixtrans-77-32.3-176.8-73.9-176.5-177.2-520114.4M160 Q173 I174 I175M160-K177 HydrophobicContact SD-CB 3.71Å; M160-K177 HydrophobicContact SD-CD 3.48Å; M160-K177 WeakPolarHBondContact SD-CD 3.4Å; M160-K177 HydrophobicContact SD-CG 4.22Å; Q173-K177 VanDerWaalsContact O-CB 3.31Å; Q173-K177 WeakPolarHBondContact O-CB 3.39Å; Q173-K177 VanDerWaalsContact O-CG 3.22Å; Q173-K177 WeakPolarHBondContact O-CG 3.32Å; Q173-K177 PolarHBondContact O-N 2.81Å; Q173-K177 VanDerWaalsContact O-N 3.17Å; I174-K177 PolarHBondContact O-N 3.24Å; I175-K177 VanDerWaalsContact C-N 3.27Å; I175-K177 PolarHBondContact O-N 2.96Å
178I87.7Confident88.7Confident12 Ų1277 Ų776%0.06236%0.364CS..Hα-helixtrans-107.8-37.7-168.8-56-63.9000111.5K153 Q156 M160 I174 I175K153-I178 HydrophobicContact CB-CG2 4.34Å; K153-I178 HydrophobicContact CD-CG2 3.84Å; K153-I178 WeakPolarHBondContact CE-O 3.34Å; K153-I178 HydrophobicContact CG-CG2 4.43Å; K153-I178 PolarHBondContact NZ-O 3.35Å; Q156-I178 HydrophobicContact CB-CD1 3.8Å; Q156-I178 HydrophobicContact CB-CG2 4.38Å; M160-I178 HydrophobicContact CB-CD1 4.32Å; M160-I178 HydrophobicContact CE-CD1 4.47Å; M160-I178 HydrophobicContact CE-CG1 4.27Å; M160-I178 HydrophobicContact SD-CD1 4.02Å; M160-I178 HydrophobicContact SD-CG1 4.21Å; I174-I178 HydrophobicContact CG2-CG1 4.29Å; I174-I178 VanDerWaalsContact O-CB 3.27Å; I174-I178 WeakPolarHBondContact O-CB 3.46Å; I174-I178 VanDerWaalsContact O-CG1 3.27Å; I174-I178 WeakPolarHBondContact O-CG1 3.37Å; I174-I178 PolarHBondContact O-N 3.23Å; I175-I178 PolarHBondContact O-N 2.68Å
179W86.6Confident88.4Confident45 Ų4575.7 Ų75.717%0.1736%0.359CS..THydrogen-bonded Turntrans-99.7-29.2179-75-96000113.2K153 I174 I175 Y183 T189 V190 H193K153-W179 HydrophobicContact CB-CZ2 4.15Å; K153-W179 HydrophobicContact CG-CZ2 4.14Å; I174-W179 HydrophobicContact CG2-CZ3 3.79Å; I175-W179 HydrophobicContact CD1-CD2 3.95Å; I175-W179 HydrophobicContact CD1-CE3 3.67Å; I175-W179 HydrophobicContact CD1-CG 4.38Å; I175-W179 HydrophobicContact CD1-CZ3 4.2Å; I175-W179 WeakPolarHBondContact O-CA 3.38Å; I175-W179 WeakPolarHBondContact O-CB 3.45Å; I175-W179 PolarHBondContact O-N 3.43Å; W179-Y183 HydrophobicContact CB-CD1 4.22Å; W179-Y183 HydrophobicContact CB-CD2 3.7Å; W179-Y183 HydrophobicContact CB-CE2 4.29Å; W179-Y183 HydrophobicContact CB-CG 3.64Å; W179-Y183 AromaticContact CD1-CD2 3.8Å; W179-Y183 AromaticContact CD1-CE2 3.54Å; W179-Y183 AromaticContact CD1-CZ 3.95Å; W179-Y183 HydrophobicContact CG-CD2 4.01Å; W179-Y183 HydrophobicContact CG-CE2 4.1Å; W179-Y183 HydrophobicContact CG-CG 4.23Å; W179-T189 HydrophobicContact CD2-CG2 4.34Å; W179-T189 HydrophobicContact CH2-CG2 4.36Å; W179-T189 HydrophobicContact CZ2-CG2 3.9Å; W179-V190 HydrophobicContact CH2-CG2 4.42Å; W179-V190 HydrophobicContact CZ3-CG2 4.08Å; W179-H193 AromaticContact CZ2-CE1 3.61Å; W179-H193 AromaticContact CZ2-ND1 3.69Å; W179-H193 AromaticContact CZ2-NE2 3.89Å
180G83.4Confident88.2Confident20 Ų2075.5 Ų75.521%0.20636%0.358CS..  trans117.3160.7-178.500000112.1I175 E176 D182 Y183I175-G180 PolarHBondContact O-N 3.37Å; I175-G180 VanDerWaalsContact O-N 3.08Å; E176-G180 CarbonylContact O-C 3.57Å; E176-G180 WeakPolarHBondContact O-CA 3.5Å; E176-G180 PolarHBondContact O-N 2.76Å; G180-D182 PolarHBondContact O-N 3.38Å; G180-Y183 WeakPolarHBondContact O-CB 3.47Å; G180-Y183 PolarHBondContact O-N 3.3Å
181Y79.5Confident88.2Confident205 Ų20575.1 Ų75.180%0.80435%0.354SS*.THydrogen-bonded Turntrans-70.1-21.2-179.480.7-86.3000112.8
182D79Confident88.2Confident110 Ų11076 Ų7659%0.58837%0.365SS*.THydrogen-bonded Turntrans-96.99.9-178.159.1-35.7000112.8G180 E184G180-D182 PolarHBondContact O-N 3.38Å; D182-E184 PolarHBondContact O-N 3.47Å; D182-E184 VanDerWaalsContact O-N 3.08Å
183Y82.6Confident88.4Confident74 Ų7472.2 Ų72.229%0.2935%0.347SS..  trans-68.2107.2177.2-176.8-107.1000111.4I175 W179 G180 G185 T189I175-Y183 HydrophobicContact CD1-CD1 3.92Å; I175-Y183 HydrophobicContact CD1-CE1 3.8Å; I175-Y183 HydrophobicContact CG2-CD1 3.54Å; I175-Y183 HydrophobicContact CG2-CE1 4.47Å; I175-Y183 HydrophobicContact CG2-CG 4.08Å; W179-Y183 HydrophobicContact CB-CD1 4.22Å; W179-Y183 HydrophobicContact CB-CD2 3.7Å; W179-Y183 HydrophobicContact CB-CE2 4.29Å; W179-Y183 HydrophobicContact CB-CG 3.64Å; W179-Y183 AromaticContact CD1-CD2 3.8Å; W179-Y183 AromaticContact CD1-CE2 3.54Å; W179-Y183 AromaticContact CD1-CZ 3.95Å; W179-Y183 HydrophobicContact CG-CD2 4.01Å; W179-Y183 HydrophobicContact CG-CE2 4.1Å; W179-Y183 HydrophobicContact CG-CG 4.23Å; G180-Y183 WeakPolarHBondContact O-CB 3.47Å; G180-Y183 PolarHBondContact O-N 3.3Å; Y183-G185 VanDerWaalsContact C-N 3.31Å; Y183-G185 VanDerWaalsContact CE1-CA 3.41Å; Y183-G185 WeakPolarHBondContact CE1-O 3.28Å; Y183-G185 VanDerWaalsContact CZ-CA 3.48Å; Y183-T189 HydrophobicContact CE1-CG2 4.04Å
184E82Confident88.5Confident198 Ų19868.7 Ų68.793%0.92533%0.331SS*.  trans-85.31.9177.9-59.8-169.2157.600114D182D182-E184 PolarHBondContact O-N 3.47Å; D182-E184 VanDerWaalsContact O-N 3.08Å
185G82.9Confident88.6Confident36 Ų3675.1 Ų75.137%0.37136%0.359SS..SBendtrans-81.8174.1-17800000114.1Y183 E187Y183-G185 VanDerWaalsContact C-N 3.31Å; Y183-G185 VanDerWaalsContact CE1-CA 3.41Å; Y183-G185 WeakPolarHBondContact CE1-O 3.28Å; Y183-G185 VanDerWaalsContact CZ-CA 3.48Å; G185-E187 PolarHBondContact O-N 3.23Å
186D86.7Confident88.8Confident107 Ų10779.8 Ų79.857%0.57238%0.376SS*.  trans-72.8126.7180-171.9-9.7000111.5R188 T189D186-R188 HydrophobicContact CB-CB 4.43Å; D186-R188 VanDerWaalsContact CG-CG 3.49Å; D186-R188 PolarHBondContact O-N 3.13Å; D186-R188 WeakPolarHBondContact OD1-CB 3.2Å; D186-R188 WeakPolarHBondContact OD1-CG 3.37Å; D186-R188 PolarHBondContact OD1-N 2.72Å; D186-R188 WeakPolarHBondContact OD2-CB 3.36Å; D186-R188 VanDerWaalsContact OD2-CG 3.25Å; D186-R188 WeakPolarHBondContact OD2-CG 3.17Å; D186-T189 WeakPolarHBondContact O-CB 3.37Å; D186-T189 WeakPolarHBondContact O-CG2 3.42Å; D186-T189 PolarHBondContact O-N 2.76Å
187E85.1Confident89.2Confident69 Ų6974.2 Ų74.232%0.32235%0.349SS..THydrogen-bonded Turntrans-54.5-21.1172.9-59.5-173.2-171.600113.4R171 I175 G185 T189 V190R171-E187 HydrophobicContact CB-CB 4.32Å; R171-E187 WeakPolarHBondContact CB-OE2 3.42Å; I175-E187 HydrophobicContact CG1-CB 4.32Å; I175-E187 HydrophobicContact CG1-CG 4.16Å; G185-E187 PolarHBondContact O-N 3.23Å; E187-T189 PolarHBondContact O-N 3.25Å; E187-T189 VanDerWaalsContact O-N 3.1Å; E187-V190 WeakPolarHBondContact O-CB 3.4Å; E187-V190 WeakPolarHBondContact O-CG2 3.5Å; E187-V190 PolarHBondContact O-N 3.05Å
188R88.9Confident89.8Confident154 Ų15472.9 Ų72.958%0.58134%0.341SS*.Hα-helixtrans-57.2-19.1171.2-66.2-65.2-169.5175.72.6113.6D186 V190 D191 V192D186-R188 HydrophobicContact CB-CB 4.43Å; D186-R188 VanDerWaalsContact CG-CG 3.49Å; D186-R188 PolarHBondContact O-N 3.13Å; D186-R188 WeakPolarHBondContact OD1-CB 3.2Å; D186-R188 WeakPolarHBondContact OD1-CG 3.37Å; D186-R188 PolarHBondContact OD1-N 2.72Å; D186-R188 WeakPolarHBondContact OD2-CB 3.36Å; D186-R188 VanDerWaalsContact OD2-CG 3.25Å; D186-R188 WeakPolarHBondContact OD2-CG 3.17Å; R188-V190 PolarHBondContact O-N 2.78Å; R188-D191 VanDerWaalsContact CD-OD2 3.26Å; R188-D191 WeakPolarHBondContact CD-OD2 3.37Å; R188-D191 IonicContact CZ-OD2 3.28Å; R188-D191 IonicContact NH1-OD2 2.84Å; R188-D191 PolarHBondContact NH1-OD2 2.94Å; R188-D191 WeakPolarHBondContact O-CB 3.47Å; R188-D191 PolarHBondContact O-N 3.09Å; R188-V192 PolarHBondContact O-N 3.16Å
189T91.3Very high90.2Very high29 Ų2977.8 Ų77.818%0.17836%0.364CS..Hα-helixtrans-54.3-35.8170.4-166.90000111.2I175 W179 Y183 D186 E187 D191 V192 H193I175-T189 HydrophobicContact CD1-CG2 3.56Å; W179-T189 HydrophobicContact CD2-CG2 4.34Å; W179-T189 HydrophobicContact CH2-CG2 4.36Å; W179-T189 HydrophobicContact CZ2-CG2 3.9Å; Y183-T189 HydrophobicContact CE1-CG2 4.04Å; D186-T189 WeakPolarHBondContact O-CB 3.37Å; D186-T189 WeakPolarHBondContact O-CG2 3.42Å; D186-T189 PolarHBondContact O-N 2.76Å; E187-T189 PolarHBondContact O-N 3.25Å; E187-T189 VanDerWaalsContact O-N 3.1Å; T189-D191 VanDerWaalsContact C-N 3.33Å; T189-D191 PolarHBondContact O-N 2.89Å; T189-V192 WeakPolarHBondContact O-CB 3.32Å; T189-V192 PolarHBondContact O-N 2.78Å; T189-H193 PolarHBondContact O-N 3.35Å; T189-H193 PolarHBondContact O-ND1 3.36Å; T189-H193 PolarHBondContact OG1-CE1 2.92Å; T189-H193 VanDerWaalsContact OG1-CE1 3.3Å; T189-H193 PolarHBondContact OG1-ND1 2.7Å
190V95Very high90.7Very high0 Ų078.9 Ų78.90%037%0.368CS..Hα-helixtrans-59.2-45.2175.2-179.30000110.7I174 I175 W179 E187 R188 V192 H193 I194 Y218I174-V190 HydrophobicContact CB-CG1 4.34Å; I174-V190 HydrophobicContact CB-CG2 4.21Å; I174-V190 HydrophobicContact CD1-CG1 3.82Å; I174-V190 HydrophobicContact CG2-CB 4.39Å; I174-V190 HydrophobicContact CG2-CG1 3.81Å; I174-V190 HydrophobicContact CG2-CG2 3.65Å; I175-V190 HydrophobicContact CD1-CG2 3.56Å; I175-V190 HydrophobicContact CG1-CG2 3.87Å; W179-V190 HydrophobicContact CH2-CG2 4.42Å; W179-V190 HydrophobicContact CZ3-CG2 4.08Å; E187-V190 WeakPolarHBondContact O-CB 3.4Å; E187-V190 WeakPolarHBondContact O-CG2 3.5Å; E187-V190 PolarHBondContact O-N 3.05Å; R188-V190 PolarHBondContact O-N 2.78Å; V190-V192 VanDerWaalsContact C-N 3.28Å; V190-V192 PolarHBondContact O-N 2.82Å; V190-H193 PolarHBondContact O-N 2.96Å; V190-I194 HydrophobicContact CG1-CG1 4.02Å; V190-I194 WeakPolarHBondContact O-CB 3.37Å; V190-I194 WeakPolarHBondContact O-CG1 3.45Å; V190-I194 PolarHBondContact O-N 2.88Å; V190-Y218 HydrophobicContact CG1-CD2 3.97Å; V190-Y218 HydrophobicContact CG1-CE2 3.75Å
191D95.1Very high91.3Very high34 Ų3478.2 Ų78.218%0.18236%0.36CS..Hα-helixtrans-60.1-40-179.6-60.7-7.5000111R171 R188 T189 K195 Y218R171-D191 IonicContact CZ-OD1 2.65Å; R171-D191 VanDerWaalsContact CZ-OD1 3.28Å; R171-D191 IonicContact NE-OD1 3.99Å; R171-D191 PolarHBondContact NE-OD1 2.91Å; R171-D191 IonicContact NE-OD2 2.65Å; R171-D191 IonicContact NH2-OD1 3.6Å; R171-D191 PolarHBondContact NH2-OD1 2.81Å; R171-D191 IonicContact NH2-OD2 2.85Å; R188-D191 VanDerWaalsContact CD-OD2 3.26Å; R188-D191 WeakPolarHBondContact CD-OD2 3.37Å; R188-D191 IonicContact CZ-OD2 3.28Å; R188-D191 IonicContact NH1-OD2 2.84Å; R188-D191 PolarHBondContact NH1-OD2 2.94Å; R188-D191 WeakPolarHBondContact O-CB 3.47Å; R188-D191 PolarHBondContact O-N 3.09Å; T189-D191 VanDerWaalsContact C-N 3.33Å; T189-D191 PolarHBondContact O-N 2.89Å; D191-K195 WeakPolarHBondContact O-CB 3.34Å; D191-K195 PolarHBondContact O-N 3.12Å; D191-Y218 PolarHBondContact OD1-OH 3.07Å
192V94.5Very high92Very high70 Ų7076.5 Ų76.542%0.42436%0.356SS..Hα-helixtrans-63.5-47.7176.5177.50000110.9R188 T189 V190 K195 R196R188-V192 PolarHBondContact O-N 3.16Å; T189-V192 WeakPolarHBondContact O-CB 3.32Å; T189-V192 PolarHBondContact O-N 2.78Å; V190-V192 VanDerWaalsContact C-N 3.28Å; V190-V192 PolarHBondContact O-N 2.82Å; V192-K195 WeakPolarHBondContact O-CB 3.39Å; V192-K195 PolarHBondContact O-N 3.43Å; V192-R196 WeakPolarHBondContact O-CG 3.39Å; V192-R196 PolarHBondContact O-N 2.83Å; V192-R196 VanDerWaalsContact O-N 3.12Å
193H95.7Very high92.8Very high25 Ų2578.8 Ų78.812%0.11636%0.361CS..Hα-helixtrans-65.3-42.1179.5-70.776.1000111.5L157 W179 T189 V190 K195 R196 L197L157-H193 HydrophobicContact CD2-CB 3.81Å; W179-H193 AromaticContact CZ2-CE1 3.61Å; W179-H193 AromaticContact CZ2-ND1 3.69Å; W179-H193 AromaticContact CZ2-NE2 3.89Å; T189-H193 PolarHBondContact O-N 3.35Å; T189-H193 PolarHBondContact O-ND1 3.36Å; T189-H193 PolarHBondContact OG1-CE1 2.92Å; T189-H193 VanDerWaalsContact OG1-CE1 3.3Å; T189-H193 PolarHBondContact OG1-ND1 2.7Å; V190-H193 PolarHBondContact O-N 2.96Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.24Å; H193-R196 PolarHBondContact O-N 2.82Å; H193-L197 WeakPolarHBondContact O-CB 3.37Å; H193-L197 WeakPolarHBondContact O-CG 3.18Å; H193-L197 PolarHBondContact O-N 3.28Å
194I98Very high93.3Very high1 Ų175.6 Ų75.61%0.00535%0.349CS..Hα-helixtrans-61.7-41.1175.8-64.7-76.2000111.3L157 L161 V190 L197 R198 I210 Y218L157-I194 HydrophobicContact CD1-CD1 4.47Å; L157-I194 HydrophobicContact CD2-CD1 3.83Å; L157-I194 HydrophobicContact CD2-CG1 4.1Å; L157-I194 HydrophobicContact CG-CD1 4.28Å; L161-I194 HydrophobicContact CD1-CD1 3.96Å; V190-I194 HydrophobicContact CG1-CG1 4.02Å; V190-I194 WeakPolarHBondContact O-CB 3.37Å; V190-I194 WeakPolarHBondContact O-CG1 3.45Å; V190-I194 PolarHBondContact O-N 2.88Å; I194-L197 PolarHBondContact O-N 3.08Å; I194-R198 HydrophobicContact CG2-CG 4.45Å; I194-R198 WeakPolarHBondContact O-CG 3.47Å; I194-R198 PolarHBondContact O-N 2.85Å; I194-I210 HydrophobicContact CD1-CD1 4.49Å; I194-I210 HydrophobicContact CD1-CG2 3.77Å; I194-I210 HydrophobicContact CG2-CG2 3.96Å; I194-Y218 HydrophobicContact CB-CD1 4.36Å; I194-Y218 HydrophobicContact CB-CE1 3.98Å; I194-Y218 HydrophobicContact CD1-CD1 3.89Å; I194-Y218 HydrophobicContact CD1-CD2 4.21Å; I194-Y218 HydrophobicContact CD1-CE1 4.33Å; I194-Y218 HydrophobicContact CD1-CG 3.8Å; I194-Y218 HydrophobicContact CG1-CD1 3.89Å; I194-Y218 HydrophobicContact CG1-CD2 4.06Å; I194-Y218 HydrophobicContact CG1-CE1 3.82Å; I194-Y218 HydrophobicContact CG1-CE2 4.01Å; I194-Y218 HydrophobicContact CG1-CG 4Å; I194-Y218 HydrophobicContact CG2-CD1 3.79Å; I194-Y218 HydrophobicContact CG2-CE1 3.53Å
195K97.7Very high93.9Very high135 Ų13571.4 Ų71.459%0.58733%0.333SS*.Hα-helixtrans-60.4-46.7176.8-176.5-176.1176.1-177.10111.3D191 V192 H193 R198 Q199D191-K195 WeakPolarHBondContact O-CB 3.34Å; D191-K195 PolarHBondContact O-N 3.12Å; V192-K195 WeakPolarHBondContact O-CB 3.39Å; V192-K195 PolarHBondContact O-N 3.43Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.24Å; K195-R198 PolarHBondContact O-N 2.98Å; K195-Q199 WeakPolarHBondContact O-CG 3.42Å; K195-Q199 PolarHBondContact O-N 3.41Å
196R97.3Very high94.5Very high112 Ų11270.6 Ų70.642%0.42332%0.322SS..Hα-helixtrans-63.5-44.9177.8-68.8178.7-178.5171.5-0.8111.3E154 V192 H193 R198 Q199 R200E154-R196 WeakPolarHBondContact OE1-CD 3.23Å; E154-R196 IonicContact OE1-NH1 3.93Å; V192-R196 WeakPolarHBondContact O-CG 3.39Å; V192-R196 PolarHBondContact O-N 2.83Å; V192-R196 VanDerWaalsContact O-N 3.12Å; H193-R196 PolarHBondContact O-N 2.82Å; R196-R198 PolarHBondContact O-N 3.39Å; R196-Q199 WeakPolarHBondContact O-CB 3.48Å; R196-Q199 PolarHBondContact O-N 2.74Å; R196-Q199 VanDerWaalsContact O-N 3.14Å; R196-R200 WeakPolarHBondContact O-CG 3.37Å; R196-R200 PolarHBondContact O-N 3.47Å
197L98.2Very high94.9Very high0 Ų067.6 Ų67.60%031%0.308CS..Hα-helixtrans-57.7-46.8176.5-76.2174.5000112.5L150 E154 L157 L158 H193 I194 Q199 R200 L201 I210L150-L197 HydrophobicContact CD2-CD2 3.54Å; E154-L197 HydrophobicContact CB-CD2 3.89Å; E154-L197 HydrophobicContact CB-CG 4.27Å; E154-L197 WeakPolarHBondContact O-CD2 3.44Å; L157-L197 HydrophobicContact CB-CD1 4.23Å; L157-L197 HydrophobicContact CD2-CD1 3.88Å; L157-L197 HydrophobicContact CG-CD1 3.91Å; L158-L197 HydrophobicContact CB-CD1 4.01Å; L158-L197 HydrophobicContact CB-CD2 3.89Å; L158-L197 HydrophobicContact CD2-CD2 4.08Å; H193-L197 WeakPolarHBondContact O-CB 3.37Å; H193-L197 WeakPolarHBondContact O-CG 3.18Å; H193-L197 PolarHBondContact O-N 3.28Å; I194-L197 PolarHBondContact O-N 3.08Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.16Å; L197-R200 PolarHBondContact O-N 3.16Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.43Å; L197-I210 HydrophobicContact CB-CD1 3.59Å; L197-I210 HydrophobicContact CD1-CD1 3.97Å; L197-I210 HydrophobicContact CG-CD1 4.41Å
198R97.9Very high95.4Very high95 Ų9564.5 Ų64.536%0.35829%0.294SS..Hα-helixtrans-57.7-41.8175.8-75.3171.9170.4160.70.6112.4I194 K195 R196 K202 I210 T212I194-R198 HydrophobicContact CG2-CG 4.45Å; I194-R198 WeakPolarHBondContact O-CG 3.47Å; I194-R198 PolarHBondContact O-N 2.85Å; K195-R198 PolarHBondContact O-N 2.98Å; R196-R198 PolarHBondContact O-N 3.39Å; R198-K202 VanDerWaalsContact O-CB 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.27Å; R198-K202 PolarHBondContact O-N 2.91Å; R198-I210 HydrophobicContact CG-CB 4.29Å; R198-I210 VanDerWaalsContact CZ-O 3.24Å; R198-I210 PolarHBondContact NE-O 3.44Å; R198-I210 PolarHBondContact NH2-O 3.04Å; R198-T212 PolarHBondContact NH1-OG1 3.41Å; R198-T212 PolarHBondContact NH2-OG1 3.32Å
199Q97.4Very high95.8Very high114 Ų11459.4 Ų59.453%0.53328%0.28SS..Hα-helixtrans-65.3-42.8177.7-69.7172.8-19.800111.8K195 R196 L197 K202 K203K195-Q199 WeakPolarHBondContact O-CG 3.42Å; K195-Q199 PolarHBondContact O-N 3.41Å; R196-Q199 WeakPolarHBondContact O-CB 3.48Å; R196-Q199 PolarHBondContact O-N 2.74Å; R196-Q199 VanDerWaalsContact O-N 3.14Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.16Å; Q199-K202 PolarHBondContact O-N 3.01Å; Q199-K203 WeakPolarHBondContact O-CB 3.46Å; Q199-K203 PolarHBondContact O-N 3.47Å
200R95.7Very high96.1Very high69 Ų6958.4 Ų58.426%0.2627%0.273SS..Hα-helixtrans-65.2-47.8178-69.6-177-167.9-87.33.6112.2M148 E154 R196 L197 K202 K203 L204M148-R200 HydrophobicContact CE-CB 4.44Å; M148-R200 HydrophobicContact SD-CB 3.63Å; M148-R200 HydrophobicContact SD-CG 3.63Å; E154-R200 IonicContact OE1-NH2 2.76Å; E154-R200 IonicContact OE2-CZ 3.17Å; E154-R200 IonicContact OE2-NE 2.76Å; E154-R200 PolarHBondContact OE2-NE 2.81Å; E154-R200 IonicContact OE2-NH2 3.32Å; E154-R200 PolarHBondContact OE2-NH2 3.32Å; R196-R200 WeakPolarHBondContact O-CG 3.37Å; R196-R200 PolarHBondContact O-N 3.47Å; L197-R200 PolarHBondContact O-N 3.16Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-K202 PolarHBondContact O-N 3.07Å; R200-K203 WeakPolarHBondContact O-CB 3.34Å; R200-K203 PolarHBondContact O-N 3.02Å; R200-K203 VanDerWaalsContact O-N 3.12Å; R200-L204 PolarHBondContact O-N 3.43Å
201L96.5Very high96.2Very high6 Ų661.4 Ų61.43%0.03129%0.287CS..Hα-helixtrans-58.5-44176.3-70.9170.1000111.5L132 L141 L158 L197 K203 L204 N205 A206 L208 I210L132-L201 HydrophobicContact CD1-CD2 4.38Å; L132-L201 HydrophobicContact CD2-CD2 3.54Å; L141-L201 HydrophobicContact CD1-CD2 4.13Å; L158-L201 HydrophobicContact CD1-CD1 4.21Å; L158-L201 HydrophobicContact CD2-CD2 4.06Å; L197-L201 WeakPolarHBondContact O-CB 3.3Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.43Å; L201-K203 PolarHBondContact O-N 3.35Å; L201-L204 PolarHBondContact O-N 3.02Å; L201-N205 PolarHBondContact O-N 2.92Å; L201-A206 HydrophobicContact CB-CB 4.25Å; L201-A206 HydrophobicContact CD2-CB 3.88Å; L201-A206 PolarHBondContact O-N 2.7Å; L201-L208 HydrophobicContact CD1-CD2 3.59Å; L201-L208 HydrophobicContact CD2-CD2 4.15Å; L201-I210 HydrophobicContact CD1-CD1 3.87Å; L201-I210 HydrophobicContact CD1-CG1 3.9Å
202K95Very high96.3Very high169 Ų16963 Ų6374%0.73530%0.299SS*.Hα-helixtrans-61.8-43.2174.5-174.8177.6-179.8178.80112.1R198 Q199 R200 L204 N205R198-K202 VanDerWaalsContact O-CB 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.27Å; R198-K202 PolarHBondContact O-N 2.91Å; Q199-K202 PolarHBondContact O-N 3.01Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-K202 PolarHBondContact O-N 3.07Å; K202-L204 PolarHBondContact O-N 3.09Å; K202-N205 PolarHBondContact O-N 3.29Å; K202-N205 PolarHBondContact O-OD1 2.87Å
203K95.3Very high96.4Very high158 Ų15861 Ų6169%0.68729%0.286SS*.Hα-helixtrans-62.3-30.7178.4-174.1176.5177.4-176.10112.4M148 Q199 R200 L201M148-K203 HydrophobicContact CE-CB 4.23Å; M148-K203 HydrophobicContact CE-CD 3.87Å; M148-K203 HydrophobicContact CE-CG 4.18Å; Q199-K203 WeakPolarHBondContact O-CB 3.46Å; Q199-K203 PolarHBondContact O-N 3.47Å; R200-K203 WeakPolarHBondContact O-CB 3.34Å; R200-K203 PolarHBondContact O-N 3.02Å; R200-K203 VanDerWaalsContact O-N 3.12Å; L201-K203 PolarHBondContact O-N 3.35Å
204L94.1Very high96.2Very high6 Ų671 Ų713%0.03132%0.323CS..Hα-helixtrans-83.6-8.3175.1-71.1175.2000114.2L132 L141 V143 K146 M148 R200 L201 K202 A206L132-L204 HydrophobicContact CD1-CD1 4.46Å; L141-L204 HydrophobicContact CB-CD1 3.54Å; L141-L204 HydrophobicContact CD1-CD1 4.09Å; L141-L204 HydrophobicContact CG-CD1 4.49Å; V143-L204 HydrophobicContact CB-CB 4.34Å; V143-L204 WeakPolarHBondContact CB-O 3.39Å; V143-L204 WeakPolarHBondContact CG1-O 3.33Å; V143-L204 HydrophobicContact CG2-CB 3.92Å; K146-L204 HydrophobicContact CB-CD2 3.84Å; M148-L204 HydrophobicContact CB-CD1 4.04Å; M148-L204 HydrophobicContact CB-CD2 4.08Å; M148-L204 HydrophobicContact CB-CG 4.37Å; M148-L204 HydrophobicContact CE-CD1 4.38Å; M148-L204 HydrophobicContact CE-CD2 4.1Å; M148-L204 HydrophobicContact CE-CG 3.88Å; R200-L204 PolarHBondContact O-N 3.43Å; L201-L204 PolarHBondContact O-N 3.02Å; K202-L204 PolarHBondContact O-N 3.09Å; L204-A206 VanDerWaalsContact C-N 3.3Å
205N94.3Very high95.8Very high111 Ų11174.8 Ų74.859%0.59436%0.362SS*.THydrogen-bonded Turntrans56.442.1-168.5-56.2-34.8000112.6N131 L201 K202N131-N205 PolarHBondContact ND2-O 2.76Å; L201-N205 PolarHBondContact O-N 2.92Å; K202-N205 PolarHBondContact O-N 3.29Å; K202-N205 PolarHBondContact O-OD1 2.87Å
206A95.3Very high95.5Very high18 Ų1873.3 Ų73.315%0.14936%0.357CS..  trans-69.814117400000111.3N131 L132 V143 L201 L204 L208N131-A206 VanDerWaalsContact OD1-CA 3.32Å; N131-A206 WeakPolarHBondContact OD1-CA 3.24Å; L132-A206 HydrophobicContact CB-CB 4.34Å; L132-A206 HydrophobicContact CD1-CB 4.3Å; V143-A206 HydrophobicContact CG2-CB 4.1Å; L201-A206 HydrophobicContact CB-CB 4.25Å; L201-A206 HydrophobicContact CD2-CB 3.88Å; L201-A206 PolarHBondContact O-N 2.7Å; L204-A206 VanDerWaalsContact C-N 3.3Å; A206-L208 VanDerWaalsContact C-N 3.28Å
207T94.9Very high95.4Very high45 Ų4568 Ų6828%0.27634%0.337SS..SBendtrans-76.2-19.3173.1580000112.6G130 N131 N222 H223G130-T207 WeakPolarHBondContact CA-OG1 3.41Å; N131-T207 HydrophobicContact CB-CG2 4.43Å; N131-T207 PolarHBondContact N-OG1 2.88Å; N131-T207 PolarHBondContact OD1-N 2.9Å; N131-T207 PolarHBondContact OD1-OG1 3.33Å; T207-N222 PolarHBondContact OG1-OD1 3.06Å; T207-H223 WeakPolarHBondContact CB-O 3.17Å; T207-H223 PolarHBondContact O-N 3.02Å
208L95.3Very high95.4Very high3 Ų368.5 Ų68.52%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-71.3131.3174.5-179.4149.6000111.1I129 L132 L158 A162 L201 A206 I210 V220 E221I129-L208 HydrophobicContact CB-CD1 4.2Å; I129-L208 HydrophobicContact CD1-CD1 3.82Å; I129-L208 HydrophobicContact CG1-CD1 3.92Å; I129-L208 HydrophobicContact CG2-CD1 3.27Å; L132-L208 HydrophobicContact CD2-CB 4.31Å; L132-L208 HydrophobicContact CD2-CD1 4.22Å; L158-L208 HydrophobicContact CD1-CD2 3.87Å; A162-L208 HydrophobicContact CB-CD1 4.25Å; L201-L208 HydrophobicContact CD1-CD2 3.59Å; L201-L208 HydrophobicContact CD2-CD2 4.15Å; A206-L208 VanDerWaalsContact C-N 3.28Å; L208-I210 HydrophobicContact CD2-CG1 4.35Å; L208-V220 HydrophobicContact CD1-CG1 3.51Å; L208-V220 HydrophobicContact CD2-CG1 4.15Å; L208-V220 HydrophobicContact CD2-CG2 4.06Å; L208-V220 HydrophobicContact CG-CG1 3.68Å; L208-E221 WeakPolarHBondContact CA-O 3.31Å
209T96.9Very high95.4Very high47 Ų4765.6 Ų65.629%0.28833%0.329SS..EExtended strand (participates in β ladder)trans-120.2145.3175.559.60000110.6V220 E221 H223T209-V220 WeakPolarHBondContact O-CA 3.27Å; T209-E221 PolarHBondContact N-O 2.71Å; T209-E221 PolarHBondContact O-N 3.17Å; T209-E221 PolarHBondContact OG1-O 3.47Å; T209-H223 PolarHBondContact OG1-CD2 3.28Å; T209-H223 PolarHBondContact OG1-NE2 3.28Å
210I98.1Very high95.3Very high8 Ų860.2 Ų60.24%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-101.6114.7170.3-54.5173.3000107.4L158 L161 I194 L197 R198 L201 L208 Y218 K219 V220L158-I210 HydrophobicContact CD1-CD1 4.15Å; L158-I210 HydrophobicContact CD1-CG1 4.46Å; L161-I210 HydrophobicContact CD1-CG2 4.13Å; I194-I210 HydrophobicContact CD1-CD1 4.49Å; I194-I210 HydrophobicContact CD1-CG2 3.77Å; I194-I210 HydrophobicContact CG2-CG2 3.96Å; L197-I210 HydrophobicContact CB-CD1 3.59Å; L197-I210 HydrophobicContact CD1-CD1 3.97Å; L197-I210 HydrophobicContact CG-CD1 4.41Å; R198-I210 HydrophobicContact CG-CB 4.29Å; R198-I210 VanDerWaalsContact CZ-O 3.24Å; R198-I210 PolarHBondContact NE-O 3.44Å; R198-I210 PolarHBondContact NH2-O 3.04Å; L201-I210 HydrophobicContact CD1-CD1 3.87Å; L201-I210 HydrophobicContact CD1-CG1 3.9Å; L208-I210 HydrophobicContact CD2-CG1 4.35Å; I210-Y218 HydrophobicContact CG2-CD1 4.34Å; I210-K219 CarbonylContact C-O 3.34Å; I210-K219 WeakPolarHBondContact CA-O 3.33Å; I210-V220 HydrophobicContact CG1-CG2 3.96Å
211E97.2Very high95.2Very high63 Ų6359.1 Ų59.129%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-96.8146.4179.9-59.4-161.2152.500111.7Y218 K219 E221E211-Y218 WeakPolarHBondContact O-CA 3.1Å; E211-K219 HydrophobicContact CB-CG 4.03Å; E211-K219 PolarHBondContact N-O 2.8Å; E211-K219 PolarHBondContact O-N 3.46Å; E211-K219 VanDerWaalsContact O-N 3.09Å; E211-K219 WeakPolarHBondContact OE2-CE 3.32Å; E211-K219 IonicContact OE2-NZ 3.7Å; E211-K219 PolarHBondContact OE2-NZ 3Å; E211-E221 HydrophobicContact CG-CG 4.37Å
212T97.3Very high94.6Very high69 Ų6961.3 Ų61.342%0.42331%0.314SS..EExtended strand (participates in β ladder)trans-96.3121.5170.4-63.70000108.4R198 Y218R198-T212 PolarHBondContact NH1-OG1 3.41Å; R198-T212 PolarHBondContact NH2-OG1 3.32Å; T212-Y218 HydrophobicContact CG2-CE1 4.29Å; T212-Y218 WeakPolarHBondContact OG1-CE1 3.36Å
213V96.1Very high93.5Very high27 Ų2757.7 Ų57.716%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-94.2106.8169.8-172.40000107.7I168 G215 Q216 G217 K219I168-V213 HydrophobicContact CD1-CB 4.3Å; I168-V213 HydrophobicContact CD1-CG1 3.99Å; I168-V213 HydrophobicContact CD1-CG2 3.99Å; I168-V213 HydrophobicContact CG1-CG2 3.96Å; I168-V213 HydrophobicContact CG2-CB 4.39Å; I168-V213 HydrophobicContact CG2-CG2 4.45Å; V213-G215 PolarHBondContact O-N 3.14Å; V213-Q216 HydrophobicContact CB-CB 4.19Å; V213-Q216 HydrophobicContact CG1-CB 3.97Å; V213-Q216 HydrophobicContact CG1-CG 4.21Å; V213-Q216 PolarHBondContact O-N 3.23Å; V213-G217 PolarHBondContact N-O 3.41Å; V213-G217 PolarHBondContact O-N 2.87Å; V213-K219 HydrophobicContact CG2-CD 3.97Å; V213-K219 HydrophobicContact CG2-CG 3.99Å
214R91.3Very high91.6Very high236 Ų23658.8 Ų58.889%0.89132%0.319SS*.THydrogen-bonded Turntrans-55.3128.2-172.4-172.6176.4-179.9169.3-0.1110.8Q216R214-Q216 PolarHBondContact O-N 2.99Å
215G89.7Confident91.5Very high80 Ų8061.4 Ų61.483%0.82533%0.333SS*.THydrogen-bonded Turntrans73.92.5-179.200000115.3V213V213-G215 PolarHBondContact O-N 3.14Å
216Q91.6Very high91.4Very high104 Ų10458.8 Ų58.849%0.48632%0.319SS..THydrogen-bonded Turntrans-124.2-50.4-178.8-63.2-176.861.900112.2I168 T170 V213 R214I168-Q216 HydrophobicContact CG2-CB 3.98Å; T170-Q216 VanDerWaalsContact CA-O 3.3Å; T170-Q216 WeakPolarHBondContact CA-O 3.43Å; V213-Q216 HydrophobicContact CB-CB 4.19Å; V213-Q216 HydrophobicContact CG1-CB 3.97Å; V213-Q216 HydrophobicContact CG1-CG 4.21Å; V213-Q216 PolarHBondContact O-N 3.23Å; R214-Q216 PolarHBondContact O-N 2.99Å
217G95.8Very high91.2Very high0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans151.6-133.1-178.400000113.5F169 V213F169-G217 CarbonylContact O-C 3.46Å; F169-G217 WeakPolarHBondContact O-CA 3.4Å; V213-G217 PolarHBondContact N-O 3.41Å; V213-G217 PolarHBondContact O-N 2.87Å
218Y98.3Very high90.9Very high10 Ų1062 Ų624%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-130.1146-172.8-61.5-82000112F169 R171 I174 V190 D191 I194 I210 E211 T212F169-Y218 PolarHBondContact N-O 2.83Å; F169-Y218 PolarHBondContact O-N 2.97Å; R171-Y218 HydrophobicContact CG-CE2 4.36Å; R171-Y218 PolarHBondContact NH2-OH 2.86Å; I174-Y218 HydrophobicContact CD1-CD2 3.83Å; V190-Y218 HydrophobicContact CG1-CD2 3.97Å; V190-Y218 HydrophobicContact CG1-CE2 3.75Å; D191-Y218 PolarHBondContact OD1-OH 3.07Å; I194-Y218 HydrophobicContact CB-CD1 4.36Å; I194-Y218 HydrophobicContact CB-CE1 3.98Å; I194-Y218 HydrophobicContact CD1-CD1 3.89Å; I194-Y218 HydrophobicContact CD1-CD2 4.21Å; I194-Y218 HydrophobicContact CD1-CE1 4.33Å; I194-Y218 HydrophobicContact CD1-CG 3.8Å; I194-Y218 HydrophobicContact CG1-CD1 3.89Å; I194-Y218 HydrophobicContact CG1-CD2 4.06Å; I194-Y218 HydrophobicContact CG1-CE1 3.82Å; I194-Y218 HydrophobicContact CG1-CE2 4.01Å; I194-Y218 HydrophobicContact CG1-CG 4Å; I194-Y218 HydrophobicContact CG2-CD1 3.79Å; I194-Y218 HydrophobicContact CG2-CE1 3.53Å; I210-Y218 HydrophobicContact CG2-CD1 4.34Å; E211-Y218 WeakPolarHBondContact O-CA 3.1Å; T212-Y218 HydrophobicContact CG2-CE1 4.29Å; T212-Y218 WeakPolarHBondContact OG1-CE1 3.36Å
219K96.8Very high90.7Very high35 Ų3565.7 Ų65.715%0.15235%0.351CS..EExtended strand (participates in β ladder)trans-138.1159.3170.264.9174.2176.8158.10109.5Q167 I168 I210 E211 V213 E221Q167-K219 WeakPolarHBondContact O-CA 3.32Å; Q167-K219 WeakPolarHBondContact O-CB 3.42Å; I168-K219 HydrophobicContact CG1-CB 4.35Å; I168-K219 HydrophobicContact CG1-CD 4.37Å; I210-K219 CarbonylContact C-O 3.34Å; I210-K219 WeakPolarHBondContact CA-O 3.33Å; E211-K219 HydrophobicContact CB-CG 4.03Å; E211-K219 PolarHBondContact N-O 2.8Å; E211-K219 PolarHBondContact O-N 3.46Å; E211-K219 VanDerWaalsContact O-N 3.09Å; E211-K219 WeakPolarHBondContact OE2-CE 3.32Å; E211-K219 IonicContact OE2-NZ 3.7Å; E211-K219 PolarHBondContact OE2-NZ 3Å; V213-K219 HydrophobicContact CG2-CD 3.97Å; V213-K219 HydrophobicContact CG2-CG 3.99Å; K219-E221 HydrophobicContact CD-CG 4.41Å; K219-E221 IonicContact NZ-OE1 2.91Å; K219-E221 PolarHBondContact NZ-OE1 2.97Å
220V96.5Very high90.3Very high0 Ų066.9 Ų66.90%036%0.356CS..EExtended strand (participates in β ladder)trans-100.9137.4169.1152.70000109.8I129 L161 K166 L208 T209 I210I129-V220 HydrophobicContact CD1-CG1 4.11Å; L161-V220 HydrophobicContact CB-CB 4.16Å; L161-V220 HydrophobicContact CB-CG2 3.49Å; L161-V220 VanDerWaalsContact CB-CG2 3.49Å; L161-V220 HydrophobicContact CD1-CG2 4.3Å; K166-V220 PolarHBondContact N-O 2.72Å; L208-V220 HydrophobicContact CD1-CG1 3.51Å; L208-V220 HydrophobicContact CD2-CG1 4.15Å; L208-V220 HydrophobicContact CD2-CG2 4.06Å; L208-V220 HydrophobicContact CG-CG1 3.68Å; T209-V220 WeakPolarHBondContact O-CA 3.27Å; I210-V220 HydrophobicContact CG1-CG2 3.96Å
221E92.1Very high89.7Confident46 Ų4671.1 Ų71.122%0.21538%0.378CS..EExtended strand (participates in β ladder)trans-122.3153166.4-65.7-152.3164.100110.6L208 T209 E211 K219 H223L208-E221 WeakPolarHBondContact CA-O 3.31Å; T209-E221 PolarHBondContact N-O 2.71Å; T209-E221 PolarHBondContact O-N 3.17Å; T209-E221 PolarHBondContact OG1-O 3.47Å; E211-E221 HydrophobicContact CG-CG 4.37Å; K219-E221 HydrophobicContact CD-CG 4.41Å; K219-E221 IonicContact NZ-OE1 2.91Å; K219-E221 PolarHBondContact NZ-OE1 2.97Å; E221-H223 IonicContact OE2-CE1 3.18Å
222N84.7Confident89.1Confident52 Ų5271.8 Ų71.828%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-118.8115.9172.5-178.231.7000107.8I129 G130 T207 V224I129-N222 HydrophobicContact CD1-CB 4.33Å; I129-N222 HydrophobicContact CG1-CB 4.01Å; G130-N222 VanDerWaalsContact CA-ND2 3.31Å; G130-N222 WeakPolarHBondContact CA-ND2 3.4Å; G130-N222 PolarHBondContact N-ND2 2.84Å; T207-N222 PolarHBondContact OG1-OD1 3.06Å; N222-V224 WeakPolarHBondContact ND2-CG2 3.49Å; N222-V224 PolarHBondContact O-N 2.96Å
223H72.5Confident88.4Confident93 Ų9372 Ų7243%0.43138%0.381SS..  trans-92.594.3173-50.4-67.8000107.1T207 T209 E221T207-H223 WeakPolarHBondContact CB-O 3.17Å; T207-H223 PolarHBondContact O-N 3.02Å; T209-H223 PolarHBondContact OG1-CD2 3.28Å; T209-H223 PolarHBondContact OG1-NE2 3.28Å; E221-H223 IonicContact OE2-CE1 3.18Å
224V56Low87.7Confident181 Ų18176.1 Ų76.1100%1.09740%0.401SS*.  trans-820166.1-174.80000108.5N222N222-V224 WeakPolarHBondContact ND2-CG2 3.49Å; N222-V224 PolarHBondContact O-N 2.96Å

Retrieved 224 of 224 residues in 70.6 ms (Link to these results)

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