A0A087Y9W2_POEFO Loading...

FMR1 autosomal homolog 1

AlphaFold DB , UniProt , Accession A0A087Y9W2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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
1M41Very low79.8Confident184 Ų18466.5 Ų66.591%0.90635%0.354SS*.  0115.80179.6179.5-82.500106.2E3M1-E3 HydrophobicContact CG-CG 3.98Å; M1-E3 PolarHBondContact O-N 3.44Å; M1-E3 HydrophobicContact SD-CG 4.1Å
2E51.3Low80.1Confident164 Ų16464.8 Ų64.877%0.76635%0.345SS*.  trans-84.186.1178-68.6170.1161.400108.7K151E2-K151 IonicContact OE2-NZ 3.74Å
3E66.9Low80.5Confident54 Ų5462 Ų6225%0.25234%0.341SS..  trans-76.8153167.6-63.2-153.6103.900110.5M1 A5 F19 K21M1-E3 HydrophobicContact CG-CG 3.98Å; M1-E3 PolarHBondContact O-N 3.44Å; M1-E3 HydrophobicContact SD-CG 4.1Å; E3-A5 PolarHBondContact O-N 3.1Å; E3-F19 HydrophobicContact CB-CB 4.09Å; E3-F19 HydrophobicContact CB-CD1 3.56Å; E3-F19 HydrophobicContact CB-CE1 4.26Å; E3-F19 HydrophobicContact CB-CG 4.01Å; E3-K21 IonicContact OE1-NZ 2.76Å; E3-K21 PolarHBondContact OE1-NZ 3.23Å; E3-K21 IonicContact OE2-NZ 3.64Å; E3-K21 PolarHBondContact OE2-NZ 2.93Å
4L84.5Confident81.1Confident21 Ų2157.6 Ų57.611%0.1132%0.316CS..  trans-77.986.2-176.9-177.753.2000110.4F19 V20 F126 C157 V171 T173L4-F19 WeakPolarHBondContact O-CA 3.39Å; L4-V20 HydrophobicContact CB-CB 4.31Å; L4-V20 HydrophobicContact CD2-CB 4.2Å; L4-V20 HydrophobicContact CD2-CG2 4.41Å; L4-V20 HydrophobicContact CG-CB 4.26Å; L4-V20 HydrophobicContact CG-CG2 4.26Å; L4-V20 PolarHBondContact O-N 3.08Å; L4-F126 HydrophobicContact CD1-CE1 4.29Å; L4-F126 HydrophobicContact CD2-CD1 3.79Å; L4-F126 HydrophobicContact CD2-CE1 3.73Å; L4-F126 HydrophobicContact CG-CE1 4.18Å; L4-C157 HydrophobicContact CB-CB 4.28Å; L4-C157 HydrophobicContact CD1-CB 4.1Å; L4-C157 HydrophobicContact CD2-CB 3.97Å; L4-C157 HydrophobicContact CG-CB 4.36Å; L4-V171 HydrophobicContact CD2-CG1 3.96Å; L4-T173 HydrophobicContact CD1-CG2 4.26Å
5A89.6Confident81.9Confident33 Ų3357.1 Ų57.127%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-68.4135.3-177.700000112.5E3 G18 F19 P50E3-A5 PolarHBondContact O-N 3.1Å; A5-G18 WeakPolarHBondContact CA-O 3.45Å; A5-F19 HydrophobicContact CB-CD1 4.01Å; A5-F19 HydrophobicContact CB-CE1 3.94Å; A5-P50 WeakPolarHBondContact O-CD 3.36Å
6V91.9Very high82.6Confident1 Ų154.2 Ų54.21%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-139.2160.2179-71.10000110.5V8 G18 V20 I30 V47 L49 F126V6-V8 HydrophobicContact CG2-CG2 4.19Å; V6-G18 PolarHBondContact N-O 2.73Å; V6-G18 PolarHBondContact O-N 3.34Å; V6-V20 HydrophobicContact CB-CG2 4.38Å; V6-V20 HydrophobicContact CG1-CG2 3.64Å; V6-V20 HydrophobicContact CG2-CG2 3.79Å; V6-I30 HydrophobicContact CG2-CD1 4.01Å; V6-I30 HydrophobicContact CG2-CG2 4.19Å; V6-V47 HydrophobicContact CB-CG1 3.8Å; V6-V47 HydrophobicContact CG1-CG1 4.12Å; V6-V47 HydrophobicContact CG2-CG1 4.04Å; V6-L49 HydrophobicContact CG1-CD2 4.39Å; V6-F126 HydrophobicContact CG1-CZ 4.04Å
7E93.9Very high83.1Confident8 Ų856.5 Ų56.54%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-105.6128.8172-68.2-174.7173.500109.7Y15 Y16 V47 R48 P50 P51 R113 N116E7-Y15 HydrophobicContact CB-CD1 4.22Å; E7-Y16 CarbonylContact C-O 3.53Å; E7-Y16 WeakPolarHBondContact CA-O 3.48Å; E7-V47 CarbonylContact O-C 3.53Å; E7-V47 WeakPolarHBondContact O-CA 3.26Å; E7-R48 HydrophobicContact CB-CG 3.81Å; E7-R48 PolarHBondContact N-O 2.68Å; E7-R48 PolarHBondContact O-N 3Å; E7-R48 IonicContact OE2-CZ 2.62Å; E7-R48 VanDerWaalsContact OE2-CZ 3.25Å; E7-R48 IonicContact OE2-NE 2.72Å; E7-R48 PolarHBondContact OE2-NE 2.68Å; E7-R48 IonicContact OE2-NH2 2.74Å; E7-R48 PolarHBondContact OE2-NH2 2.94Å; E7-P50 HydrophobicContact CG-CB 4.32Å; E7-P51 VanDerWaalsContact OE1-CD 3.24Å; E7-P51 WeakPolarHBondContact OE1-CD 3.41Å; E7-R113 IonicContact OE1-CZ 3.23Å; E7-R113 IonicContact OE1-NH1 2.95Å; E7-R113 PolarHBondContact OE1-NH1 3.29Å; E7-R113 IonicContact OE1-NH2 3.64Å; E7-R113 PolarHBondContact OE1-NH2 3.29Å; E7-R113 IonicContact OE2-CZ 2.66Å; E7-R113 IonicContact OE2-NH2 2.77Å; E7-R113 PolarHBondContact OE2-NH2 2.76Å; E7-N116 PolarHBondContact OE2-ND2 3.24Å
8V93.6Very high83.6Confident1 Ų153.4 Ų53.41%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-120.5125.9-169-172.80000109.9V6 G10 Y15 Y16 I30 F32 V42V6-V8 HydrophobicContact CG2-CG2 4.19Å; V8-G10 PolarHBondContact O-N 3.06Å; V8-Y15 CarbonylContact O-C 3.6Å; V8-Y15 WeakPolarHBondContact O-CA 3.41Å; V8-Y16 PolarHBondContact N-O 2.99Å; V8-Y16 PolarHBondContact O-N 3.28Å; V8-I30 HydrophobicContact CG1-CD1 4.46Å; V8-I30 HydrophobicContact CG2-CD1 3.6Å; V8-I30 HydrophobicContact CG2-CG2 3.92Å; V8-F32 HydrophobicContact CB-CE1 4.05Å; V8-F32 HydrophobicContact CG1-CE1 4.03Å; V8-F32 HydrophobicContact CG1-CZ 4.19Å; V8-F32 HydrophobicContact CG2-CE1 4.35Å; V8-V42 HydrophobicContact CG1-CG1 4.06Å; V8-V42 HydrophobicContact CG1-CG2 4Å
9R92.1Very high84Confident115 Ų11552.5 Ų52.543%0.43428%0.276SS..EExtended strand (participates in β ladder)trans-72.9126.3178.7-157.3-176.5-179.3-159.9-0.3111A14 Y15 D46R9-A14 CarbonylContact C-O 3.57Å; R9-A14 WeakPolarHBondContact CA-O 3.26Å; R9-Y15 HydrophobicContact CB-CD1 4.21Å; R9-Y15 HydrophobicContact CB-CE1 3.84Å; R9-Y15 HydrophobicContact CG-CE1 4.18Å; R9-D46 HydrophobicContact CB-CB 3.94Å; R9-D46 WeakPolarHBondContact CB-O 3.3Å; R9-D46 WeakPolarHBondContact CD-OD1 3.35Å; R9-D46 PolarHBondContact N-O 3.11Å; R9-D46 IonicContact NH1-OD1 3.97Å
10G88Confident84.2Confident15 Ų1550.1 Ų50.116%0.15526%0.263CS..  trans-79.7166.5168.900000112.2V8 N12 G13 A14V8-G10 PolarHBondContact O-N 3.06Å; G10-N12 PolarHBondContact O-N 3.01Å; G10-G13 PolarHBondContact O-N 3.36Å; G10-A14 PolarHBondContact N-O 3.36Å
11S84.8Confident84.3Confident135 Ų13550.1 Ų50.194%0.94426%0.261SS*.THydrogen-bonded Turntrans-63.4-22.6174.244.70000113.5G13S11-G13 VanDerWaalsContact C-N 3.29Å
12N83.5Confident86.4Confident47 Ų4743.3 Ų43.325%0.25123%0.229SC..THydrogen-bonded Turntrans-82.80.4171.459.36.5000113.8G10 A14 Y16 W80G10-N12 PolarHBondContact O-N 3.01Å; N12-A14 VanDerWaalsContact C-N 3.34Å; N12-A14 PolarHBondContact O-N 3.23Å; N12-A14 PolarHBondContact OD1-N 3.22Å; N12-Y16 PolarHBondContact ND2-OH 2.99Å; N12-W80 HydrophobicContact CB-CH2 3.88Å; N12-W80 HydrophobicContact CB-CZ3 4.2Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.18Å
13G84.9Confident88.1Confident28 Ų2836.4 Ų36.429%0.28920%0.196SC..SBendtrans85.2-8.317900000115.9G10 S11G10-G13 PolarHBondContact O-N 3.36Å; S11-G13 VanDerWaalsContact C-N 3.29Å
14A90.1Very high89Confident0 Ų036.7 Ų36.70%020%0.198CC..  trans-74151.9177.100000112.2R9 G10 N12 Y16 W80R9-A14 CarbonylContact C-O 3.57Å; R9-A14 WeakPolarHBondContact CA-O 3.26Å; G10-A14 PolarHBondContact N-O 3.36Å; N12-A14 VanDerWaalsContact C-N 3.34Å; N12-A14 PolarHBondContact O-N 3.23Å; N12-A14 PolarHBondContact OD1-N 3.22Å; A14-Y16 HydrophobicContact CB-CE2 3.91Å; A14-W80 HydrophobicContact CB-CD2 3.61Å; A14-W80 VanDerWaalsContact CB-CE2 3.46Å; A14-W80 HydrophobicContact CB-CE3 3.93Å; A14-W80 HydrophobicContact CB-CG 4.14Å; A14-W80 HydrophobicContact CB-CH2 3.98Å; A14-W80 HydrophobicContact CB-CZ2 3.65Å; A14-W80 HydrophobicContact CB-CZ3 4.11Å
15Y92.8Very high89Confident50 Ų5041 Ų4120%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-99.7115.1176.2-74-86.3000111.8E7 V8 R9 R48 G78 W79E7-Y15 HydrophobicContact CB-CD1 4.22Å; V8-Y15 CarbonylContact O-C 3.6Å; V8-Y15 WeakPolarHBondContact O-CA 3.41Å; R9-Y15 HydrophobicContact CB-CD1 4.21Å; R9-Y15 HydrophobicContact CB-CE1 3.84Å; R9-Y15 HydrophobicContact CG-CE1 4.18Å; Y15-R48 HydrophobicContact CD1-CG 4.18Å; Y15-R48 HydrophobicContact CE1-CG 4.03Å; Y15-G78 WeakPolarHBondContact O-CA 3.29Å; Y15-W79 PolarHBondContact N-O 2.73Å; Y15-W79 PolarHBondContact O-N 2.62Å
16Y92.4Very high88.9Confident11 Ų1145.1 Ų45.14%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-98.4149.1177.8-61.5-94.9000111E7 V8 N12 A14 W36 E75 P76E7-Y16 CarbonylContact C-O 3.53Å; E7-Y16 WeakPolarHBondContact CA-O 3.48Å; V8-Y16 PolarHBondContact N-O 2.99Å; V8-Y16 PolarHBondContact O-N 3.28Å; N12-Y16 PolarHBondContact ND2-OH 2.99Å; A14-Y16 HydrophobicContact CB-CE2 3.91Å; Y16-W36 HydrophobicContact CD1-CH2 4.01Å; Y16-W36 AromaticContact CD1-CZ2 3.42Å; Y16-W36 HydrophobicContact CD1-CZ2 3.42Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.42Å; Y16-W36 AromaticContact CE1-CH2 3.68Å; Y16-W36 HydrophobicContact CE1-CH2 3.68Å; Y16-W36 AromaticContact CE1-CZ2 3.61Å; Y16-W36 HydrophobicContact CE1-CZ2 3.61Å; Y16-W36 AromaticContact CG-CZ2 3.92Å; Y16-W36 HydrophobicContact CG-CZ2 3.92Å; Y16-E75 PolarHBondContact OH-OE2 2.89Å; Y16-P76 HydrophobicContact CD1-CG 4.24Å; Y16-P76 HydrophobicContact CE1-CG 4.46Å
17K91.8Very high88.8Confident94 Ų9446 Ų4641%0.40924%0.244SC..EExtended strand (participates in β ladder)trans-80.4133176.5-178.6169.4151.4-1410111.2E33K17-E33 VanDerWaalsContact CD-OE2 3.28Å; K17-E33 WeakPolarHBondContact CD-OE2 3.25Å; K17-E33 WeakPolarHBondContact CE-OE1 3.44Å; K17-E33 VanDerWaalsContact CE-OE2 3.28Å; K17-E33 WeakPolarHBondContact CE-OE2 3.36Å; K17-E33 IonicContact NZ-OE1 2.76Å; K17-E33 PolarHBondContact NZ-OE1 3.1Å; K17-E33 IonicContact NZ-OE2 3.22Å; K17-E33 PolarHBondContact NZ-OE2 3.3Å; K17-E33 PolarHBondContact O-N 2.81Å
18G91.8Very high88.7Confident0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-148177175.600000112.3A5 V6 A31A5-G18 WeakPolarHBondContact CA-O 3.45Å; V6-G18 PolarHBondContact N-O 2.73Å; V6-G18 PolarHBondContact O-N 3.34Å; G18-A31 CarbonylContact C-O 3.51Å; G18-A31 WeakPolarHBondContact CA-O 3.4Å
19F90.7Very high88.6Confident36 Ų3646.6 Ų46.616%0.15825%0.249CC..EExtended strand (participates in β ladder)trans-129.5127.5-175.5-55.7-78000110.1E3 L4 A5 K21 I30 A31 E33E3-F19 HydrophobicContact CB-CB 4.09Å; E3-F19 HydrophobicContact CB-CD1 3.56Å; E3-F19 HydrophobicContact CB-CE1 4.26Å; E3-F19 HydrophobicContact CB-CG 4.01Å; L4-F19 WeakPolarHBondContact O-CA 3.39Å; A5-F19 HydrophobicContact CB-CD1 4.01Å; A5-F19 HydrophobicContact CB-CE1 3.94Å; F19-K21 PolarHBondContact O-N 3.18Å; F19-I30 WeakPolarHBondContact O-CA 3.34Å; F19-A31 PolarHBondContact N-O 3.38Å; F19-A31 PolarHBondContact O-N 3.46Å; F19-E33 HydrophobicContact CE2-CB 4.18Å
20V89.1Confident88.5Confident4 Ų441.1 Ų41.12%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-68.2113.6179.3-178.10000109.4L4 V6 I23 L28L4-V20 HydrophobicContact CB-CB 4.31Å; L4-V20 HydrophobicContact CD2-CB 4.2Å; L4-V20 HydrophobicContact CD2-CG2 4.41Å; L4-V20 HydrophobicContact CG-CB 4.26Å; L4-V20 HydrophobicContact CG-CG2 4.26Å; L4-V20 PolarHBondContact O-N 3.08Å; V6-V20 HydrophobicContact CB-CG2 4.38Å; V6-V20 HydrophobicContact CG1-CG2 3.64Å; V6-V20 HydrophobicContact CG2-CG2 3.79Å; V20-I23 HydrophobicContact CG1-CG1 4.14Å; V20-L28 HydrophobicContact CG1-CD2 4.16Å; V20-L28 HydrophobicContact CG2-CD1 4.41Å
21K86.3Confident88.7Confident52 Ų5240.5 Ų40.523%0.22622%0.221CC..EExtended strand (participates in β ladder)trans-90.1-42.9176.7-66-66.2-175.4-173.40111.5E3 F19 T29 A31 R158E3-K21 IonicContact OE1-NZ 2.76Å; E3-K21 PolarHBondContact OE1-NZ 3.23Å; E3-K21 IonicContact OE2-NZ 3.64Å; E3-K21 PolarHBondContact OE2-NZ 2.93Å; F19-K21 PolarHBondContact O-N 3.18Å; K21-T29 HydrophobicContact CB-CG2 4.31Å; K21-T29 PolarHBondContact N-O 3.25Å; K21-A31 HydrophobicContact CD-CB 4.19Å; K21-A31 HydrophobicContact CG-CB 3.75Å; K21-R158 PolarHBondContact O-NH1 3.48Å
22D84.6Confident89Confident41 Ų4134.3 Ų34.322%0.21918%0.178CC..EExtended strand (participates in β ladder)trans-149.3162.4175.8-163.225.1000113.3H24 T29 K128D22-H24 IonicContact OD2-CE1 3.69Å; D22-H24 PolarHBondContact OD2-CE1 3.01Å; D22-T29 PolarHBondContact N-O 3.17Å; D22-T29 PolarHBondContact O-N 3.4Å; D22-K128 WeakPolarHBondContact OD1-CD 3.34Å; D22-K128 VanDerWaalsContact OD1-CE 3.25Å; D22-K128 WeakPolarHBondContact OD1-CE 3.41Å; D22-K128 IonicContact OD1-NZ 3.92Å; D22-K128 PolarHBondContact OD1-NZ 2.91Å; D22-K128 IonicContact OD2-NZ 2.7Å; D22-K128 PolarHBondContact OD2-NZ 3.23Å
23I87.1Confident89.2Confident18 Ų1835.4 Ų35.49%0.09218%0.181CC..EExtended strand (participates in β ladder)trans-120129.7-178.5-59.8156.8000109.6V20 L28 F126 K128 V171V20-I23 HydrophobicContact CG1-CG1 4.14Å; I23-L28 HydrophobicContact CB-CD2 4.11Å; I23-L28 HydrophobicContact CG1-CD2 3.63Å; I23-L28 HydrophobicContact CG2-CD2 4.08Å; I23-F126 HydrophobicContact CD1-CB 3.58Å; I23-F126 HydrophobicContact CD1-CG 4.46Å; I23-F126 HydrophobicContact CG1-CB 4.25Å; I23-K128 HydrophobicContact CB-CB 4.28Å; I23-K128 HydrophobicContact CB-CD 4.06Å; I23-K128 HydrophobicContact CD1-CB 4.1Å; I23-K128 VanDerWaalsContact O-CD 3.31Å; I23-K128 WeakPolarHBondContact O-CD 3.38Å; I23-K128 PolarHBondContact O-NZ 3.23Å; I23-V171 HydrophobicContact CD1-CB 4.42Å; I23-V171 HydrophobicContact CD1-CG1 3.58Å; I23-V171 HydrophobicContact CD1-CG2 4.1Å
24H86.1Confident89.1Confident60 Ų6041.3 Ų41.328%0.27821%0.206SC..  trans-111.7-179.6172.9-53.1-61.1000110.3D22 D26 S27 T29D22-H24 IonicContact OD2-CE1 3.69Å; D22-H24 PolarHBondContact OD2-CE1 3.01Å; H24-D26 PolarHBondContact O-N 3.4Å; H24-S27 WeakPolarHBondContact CB-O 3.31Å; H24-S27 PolarHBondContact N-O 2.76Å; H24-T29 PolarHBondContact NE2-OG1 3.45Å
25D83.4Confident88.9Confident113 Ų11347.1 Ų47.160%0.60424%0.237SC*.SBendtrans-61-42.9-179.3-92.8-67.8000113.6F44 K123D25-F44 WeakPolarHBondContact O-CE2 3.47Å; D25-K123 WeakPolarHBondContact O-CD 3.34Å; D25-K123 WeakPolarHBondContact O-CE 3.22Å; D25-K123 PolarHBondContact O-NZ 3.22Å; D25-K123 WeakPolarHBondContact OD1-CE 3.4Å; D25-K123 IonicContact OD1-NZ 2.87Å; D25-K123 PolarHBondContact OD1-NZ 3.26Å
26D87.1Confident88.5Confident119 Ų11948 Ų4864%0.63624%0.24SC*.SBendtrans-124.81.9-172.9-59.5-31.2000113.3H24 F44 K123H24-D26 PolarHBondContact O-N 3.4Å; D26-F44 VanDerWaalsContact C-CE2 3.43Å; D26-K123 IonicContact OD1-NZ 2.88Å
27S91.1Very high88.2Confident18 Ų1850.4 Ų50.413%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-150.5168.4-173.472.30000113.4H24 V42H24-S27 WeakPolarHBondContact CB-O 3.31Å; H24-S27 PolarHBondContact N-O 2.76Å; S27-V42 CarbonylContact C-O 3.58Å; S27-V42 WeakPolarHBondContact CA-O 3.41Å; S27-V42 WeakPolarHBondContact CB-O 3.42Å
28L90.9Very high88.1Confident0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-120.5135.6174.6-63172.6000110V20 I23 I30 Q41 V42 F44 V47 V121 F126V20-L28 HydrophobicContact CG1-CD2 4.16Å; V20-L28 HydrophobicContact CG2-CD1 4.41Å; I23-L28 HydrophobicContact CB-CD2 4.11Å; I23-L28 HydrophobicContact CG1-CD2 3.63Å; I23-L28 HydrophobicContact CG2-CD2 4.08Å; L28-I30 HydrophobicContact CB-CD1 4.14Å; L28-I30 HydrophobicContact CB-CG1 3.96Å; L28-Q41 CarbonylContact O-C 3.59Å; L28-Q41 VanDerWaalsContact O-CA 3.29Å; L28-Q41 WeakPolarHBondContact O-CA 3.45Å; L28-V42 PolarHBondContact N-O 3.39Å; L28-V42 PolarHBondContact O-N 2.94Å; L28-F44 HydrophobicContact CD1-CD1 4.13Å; L28-F44 HydrophobicContact CD1-CE1 4.36Å; L28-F44 HydrophobicContact CD2-CD1 4.35Å; L28-F44 HydrophobicContact CD2-CE1 3.76Å; L28-F44 HydrophobicContact CG-CD1 3.89Å; L28-F44 HydrophobicContact CG-CE1 3.75Å; L28-V47 HydrophobicContact CD1-CB 4.33Å; L28-V47 HydrophobicContact CD1-CG1 3.98Å; L28-V47 HydrophobicContact CD1-CG2 4.39Å; L28-V121 HydrophobicContact CD1-CG2 4.16Å; L28-F126 HydrophobicContact CD1-CD2 4.03Å; L28-F126 HydrophobicContact CD1-CE2 3.66Å; L28-F126 HydrophobicContact CD2-CD2 4.06Å; L28-F126 HydrophobicContact CD2-CE2 4.49Å
29T91.3Very high88.1Confident23 Ų2356.1 Ų56.114%0.14129%0.289CS..EExtended strand (participates in β ladder)trans-81.3121.8163.4-61.50000108.5K21 D22 H24 E39K21-T29 HydrophobicContact CB-CG2 4.31Å; K21-T29 PolarHBondContact N-O 3.25Å; D22-T29 PolarHBondContact N-O 3.17Å; D22-T29 PolarHBondContact O-N 3.4Å; H24-T29 PolarHBondContact NE2-OG1 3.45Å; T29-E39 HydrophobicContact CG2-CB 4.22Å
30I91.6Very high88.1Confident0 Ų059.2 Ų59.20%030%0.3CS..EExtended strand (participates in β ladder)trans-124130.2-177.1-53.2177.9000110V6 V8 F19 L28 E39 R40 V42 V47V6-I30 HydrophobicContact CG2-CD1 4.01Å; V6-I30 HydrophobicContact CG2-CG2 4.19Å; V8-I30 HydrophobicContact CG1-CD1 4.46Å; V8-I30 HydrophobicContact CG2-CD1 3.6Å; V8-I30 HydrophobicContact CG2-CG2 3.92Å; F19-I30 WeakPolarHBondContact O-CA 3.34Å; L28-I30 HydrophobicContact CB-CD1 4.14Å; L28-I30 HydrophobicContact CB-CG1 3.96Å; I30-E39 WeakPolarHBondContact O-CA 3.49Å; I30-R40 PolarHBondContact N-O 3.4Å; I30-R40 PolarHBondContact O-N 3.42Å; I30-V42 HydrophobicContact CD1-CB 4.27Å; I30-V42 HydrophobicContact CD1-CG2 4.35Å; I30-V47 HydrophobicContact CD1-CB 4.49Å; I30-V47 HydrophobicContact CD1-CG1 4.02Å; I30-V47 HydrophobicContact CD1-CG2 3.58Å
31A91.9Very high88.3Confident1 Ų164.8 Ų64.81%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-91.1137165.200000109.7G18 F19 K21 E39G18-A31 CarbonylContact C-O 3.51Å; G18-A31 WeakPolarHBondContact CA-O 3.4Å; F19-A31 PolarHBondContact N-O 3.38Å; F19-A31 PolarHBondContact O-N 3.46Å; K21-A31 HydrophobicContact CD-CB 4.19Å; K21-A31 HydrophobicContact CG-CB 3.75Å; A31-E39 HydrophobicContact CB-CG 3.86Å
32F90.6Very high88.6Confident6 Ų662.4 Ų62.43%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-87.4152.2177.7-65-84000111.9V8 N34 N35 W36 Q37 R40V8-F32 HydrophobicContact CB-CE1 4.05Å; V8-F32 HydrophobicContact CG1-CE1 4.03Å; V8-F32 HydrophobicContact CG1-CZ 4.19Å; V8-F32 HydrophobicContact CG2-CE1 4.35Å; F32-N34 PolarHBondContact O-N 3.43Å; F32-N35 PolarHBondContact O-N 2.97Å; F32-W36 AromaticContact CD1-NE1 3.94Å; F32-W36 AromaticContact CG-NE1 3.84Å; F32-Q37 HydrophobicContact CD2-CB 3.66Å; F32-Q37 HydrophobicContact CE2-CB 4.07Å; F32-Q37 HydrophobicContact CG-CB 4.29Å; F32-R40 HydrophobicContact CE2-CB 4.28Å
33E87.1Confident89Confident69 Ų6963.3 Ų63.332%0.32232%0.323SS..G310 helixtrans-56.8133.3179.2-177.8153.4-126.500112.1K17 F19 N35K17-E33 VanDerWaalsContact CD-OE2 3.28Å; K17-E33 WeakPolarHBondContact CD-OE2 3.25Å; K17-E33 WeakPolarHBondContact CE-OE1 3.44Å; K17-E33 VanDerWaalsContact CE-OE2 3.28Å; K17-E33 WeakPolarHBondContact CE-OE2 3.36Å; K17-E33 IonicContact NZ-OE1 2.76Å; K17-E33 PolarHBondContact NZ-OE1 3.1Å; K17-E33 IonicContact NZ-OE2 3.22Å; K17-E33 PolarHBondContact NZ-OE2 3.3Å; K17-E33 PolarHBondContact O-N 2.81Å; F19-E33 HydrophobicContact CE2-CB 4.18Å; E33-N35 PolarHBondContact O-N 3.1Å; E33-N35 VanDerWaalsContact O-N 3.14Å
34N83.9Confident89.2Confident153 Ų15363.5 Ų63.582%0.81832%0.324SS*.G310 helixtrans58.614-173.1-51.8-38.3000115.7F32 W36F32-N34 PolarHBondContact O-N 3.43Å; N34-W36 PolarHBondContact O-N 3.33Å
35N84.4Confident89.5Confident122 Ų12264.3 Ų64.365%0.65234%0.336SS*.G310 helixtrans55.530.6-179.7-57.7-23.7000114.6F32 E33 Q37F32-N35 PolarHBondContact O-N 2.97Å; E33-N35 PolarHBondContact O-N 3.1Å; E33-N35 VanDerWaalsContact O-N 3.14Å; N35-Q37 CarbonylContact C-O 3.58Å; N35-Q37 PolarHBondContact O-N 2.99Å
36W85.8Confident89.9Confident69 Ų6961 Ų6126%0.26132%0.318SS..SBendtrans-62-23.717978.5-81.4000113.6Y16 F32 N34 E75 P76Y16-W36 HydrophobicContact CD1-CH2 4.01Å; Y16-W36 AromaticContact CD1-CZ2 3.42Å; Y16-W36 HydrophobicContact CD1-CZ2 3.42Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.42Å; Y16-W36 AromaticContact CE1-CH2 3.68Å; Y16-W36 HydrophobicContact CE1-CH2 3.68Å; Y16-W36 AromaticContact CE1-CZ2 3.61Å; Y16-W36 HydrophobicContact CE1-CZ2 3.61Å; Y16-W36 AromaticContact CG-CZ2 3.92Å; Y16-W36 HydrophobicContact CG-CZ2 3.92Å; F32-W36 AromaticContact CD1-NE1 3.94Å; F32-W36 AromaticContact CG-NE1 3.84Å; N34-W36 PolarHBondContact O-N 3.33Å; W36-E75 HydrophobicContact CH2-CG 4.36Å; W36-E75 HydrophobicContact CZ3-CB 4.23Å; W36-E75 HydrophobicContact CZ3-CG 3.86Å; W36-P76 HydrophobicContact CD2-CG 3.56Å; W36-P76 VanDerWaalsContact CE2-CG 3.47Å; W36-P76 HydrophobicContact CE3-CG 4.16Å; W36-P76 HydrophobicContact CG-CG 3.73Å; W36-P76 HydrophobicContact CZ2-CG 4Å
37Q85.4Confident90.3Very high60 Ų6055.4 Ų55.428%0.2829%0.288SS..SBendtrans-123.1150.8162-79.5-172.818.200109.2F32 N35F32-Q37 HydrophobicContact CD2-CB 3.66Å; F32-Q37 HydrophobicContact CE2-CB 4.07Å; F32-Q37 HydrophobicContact CG-CB 4.29Å; N35-Q37 CarbonylContact C-O 3.58Å; N35-Q37 PolarHBondContact O-N 2.99Å
38P89.1Confident90.4Very high106 Ų10655.2 Ų55.269%0.68829%0.285SS*.  trans-61.5160.1171.529-36.3000111.3R40P38-R40 PolarHBondContact O-N 3.42Å
39E91.9Very high90.3Very high108 Ų10858.2 Ų58.251%0.50530%0.301SS..  trans-58.5134.3175.4-55-162.5166.600110.7T29 I30 A31T29-E39 HydrophobicContact CG2-CB 4.22Å; I30-E39 WeakPolarHBondContact O-CA 3.49Å; A31-E39 HydrophobicContact CB-CG 3.86Å
40R91.8Very high90.3Very high102 Ų10259.6 Ų59.639%0.38531%0.31SS..EExtended strand (participates in β ladder)trans-133143.5-174.8-159.7176.273.8-155.23.5110.9I30 F32 P38I30-R40 PolarHBondContact N-O 3.4Å; I30-R40 PolarHBondContact O-N 3.42Å; F32-R40 HydrophobicContact CE2-CB 4.28Å; P38-R40 PolarHBondContact O-N 3.42Å
41Q92.4Very high90.1Very high120 Ų12061.5 Ų61.556%0.56132%0.322SS*.EExtended strand (participates in β ladder)trans-76.3132.9165.2-67.7-1727.800109.9L28L28-Q41 CarbonylContact O-C 3.59Å; L28-Q41 VanDerWaalsContact O-CA 3.29Å; L28-Q41 WeakPolarHBondContact O-CA 3.45Å
42V92.7Very high89.6Confident3 Ų364.6 Ų64.62%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-132.9133.9-179-1730000109V8 S27 L28 I30 D46 V47V8-V42 HydrophobicContact CG1-CG1 4.06Å; V8-V42 HydrophobicContact CG1-CG2 4Å; S27-V42 CarbonylContact C-O 3.58Å; S27-V42 WeakPolarHBondContact CA-O 3.41Å; S27-V42 WeakPolarHBondContact CB-O 3.42Å; L28-V42 PolarHBondContact N-O 3.39Å; L28-V42 PolarHBondContact O-N 2.94Å; I30-V42 HydrophobicContact CD1-CB 4.27Å; I30-V42 HydrophobicContact CD1-CG2 4.35Å; V42-D46 HydrophobicContact CG1-CB 3.8Å; V42-V47 HydrophobicContact CB-CG2 3.99Å; V42-V47 HydrophobicContact CG1-CG2 3.63Å
43P93.2Very high88.7Confident59 Ų5969.1 Ų69.138%0.38338%0.381SS..EExtended strand (participates in β ladder)trans-66.5152.3176.930.1-37000111.1S45 D46P43-S45 PolarHBondContact O-N 2.88Å; P43-D46 HydrophobicContact CG-CB 4.42Å; P43-D46 WeakPolarHBondContact CG-OD2 3.49Å; P43-D46 PolarHBondContact O-N 3.34Å; P43-D46 VanDerWaalsContact O-N 3.08Å
44F91.6Very high87.5Confident23 Ų2373.3 Ų73.310%0.10141%0.405CS..G310 helixtrans-55.5-29.2-178.6-58.9-58.6000113.9D25 D26 L28 D46 V47 V121 K123D25-F44 WeakPolarHBondContact O-CE2 3.47Å; D26-F44 VanDerWaalsContact C-CE2 3.43Å; L28-F44 HydrophobicContact CD1-CD1 4.13Å; L28-F44 HydrophobicContact CD1-CE1 4.36Å; L28-F44 HydrophobicContact CD2-CD1 4.35Å; L28-F44 HydrophobicContact CD2-CE1 3.76Å; L28-F44 HydrophobicContact CG-CD1 3.89Å; L28-F44 HydrophobicContact CG-CE1 3.75Å; F44-D46 VanDerWaalsContact C-N 3.25Å; F44-D46 PolarHBondContact O-N 2.79Å; F44-V47 PolarHBondContact O-N 3.06Å; F44-V121 HydrophobicContact CB-CG2 4.04Å; F44-V121 WeakPolarHBondContact CB-O 3.49Å; F44-V121 HydrophobicContact CD1-CG2 4.06Å; F44-V121 WeakPolarHBondContact O-CG2 3.44Å; F44-K123 HydrophobicContact CD2-CB 4.38Å; F44-K123 HydrophobicContact CE2-CB 3.77Å; F44-K123 HydrophobicContact CE2-CG 4.16Å; F44-K123 HydrophobicContact CZ-CB 4.27Å; F44-K123 HydrophobicContact CZ-CG 4.41Å
45S91.8Very high86.4Confident76 Ų7669 Ų6953%0.53138%0.384SS..G310 helixtrans-60.2-28.8177.949.80000114.8P43 A120P43-S45 PolarHBondContact O-N 2.88Å; S45-A120 WeakPolarHBondContact O-CB 3.22Å
46D93Very high85.3Confident44 Ų4473 Ų7324%0.23540%0.396CS..G310 helixtrans-10414.2-175-69.1-51.6000112.4R9 V42 P43 F44R9-D46 HydrophobicContact CB-CB 3.94Å; R9-D46 WeakPolarHBondContact CB-O 3.3Å; R9-D46 WeakPolarHBondContact CD-OD1 3.35Å; R9-D46 PolarHBondContact N-O 3.11Å; R9-D46 IonicContact NH1-OD1 3.97Å; V42-D46 HydrophobicContact CG1-CB 3.8Å; P43-D46 HydrophobicContact CG-CB 4.42Å; P43-D46 WeakPolarHBondContact CG-OD2 3.49Å; P43-D46 PolarHBondContact O-N 3.34Å; P43-D46 VanDerWaalsContact O-N 3.08Å; F44-D46 VanDerWaalsContact C-N 3.25Å; F44-D46 PolarHBondContact O-N 2.79Å
47V93.8Very high84.4Confident1 Ų175.4 Ų75.41%0.00641%0.408CS..EExtended strand (participates in β ladder)trans-128.8133.3-179.4-175.70000109.5V6 E7 L28 I30 V42 F44 A120 V121V6-V47 HydrophobicContact CB-CG1 3.8Å; V6-V47 HydrophobicContact CG1-CG1 4.12Å; V6-V47 HydrophobicContact CG2-CG1 4.04Å; E7-V47 CarbonylContact O-C 3.53Å; E7-V47 WeakPolarHBondContact O-CA 3.26Å; L28-V47 HydrophobicContact CD1-CB 4.33Å; L28-V47 HydrophobicContact CD1-CG1 3.98Å; L28-V47 HydrophobicContact CD1-CG2 4.39Å; I30-V47 HydrophobicContact CD1-CB 4.49Å; I30-V47 HydrophobicContact CD1-CG1 4.02Å; I30-V47 HydrophobicContact CD1-CG2 3.58Å; V42-V47 HydrophobicContact CB-CG2 3.99Å; V42-V47 HydrophobicContact CG1-CG2 3.63Å; F44-V47 PolarHBondContact O-N 3.06Å; V47-A120 CarbonylContact O-C 3.59Å; V47-A120 VanDerWaalsContact O-CA 3.29Å; V47-A120 WeakPolarHBondContact O-CA 3.47Å; V47-V121 HydrophobicContact CB-CG2 3.88Å; V47-V121 HydrophobicContact CG1-CG2 4.14Å; V47-V121 WeakPolarHBondContact O-CG2 3.31Å; V47-V121 PolarHBondContact O-N 2.87Å
48R93.3Very high84Confident14 Ų1481.1 Ų81.15%0.05344%0.435CS..EExtended strand (participates in β ladder)trans-134.2161.5175.368.6-175.2-174.1176.74.3111.2E7 Y15 E66 R113 N116E7-R48 HydrophobicContact CB-CG 3.81Å; E7-R48 PolarHBondContact N-O 2.68Å; E7-R48 PolarHBondContact O-N 3Å; E7-R48 IonicContact OE2-CZ 2.62Å; E7-R48 VanDerWaalsContact OE2-CZ 3.25Å; E7-R48 IonicContact OE2-NE 2.72Å; E7-R48 PolarHBondContact OE2-NE 2.68Å; E7-R48 IonicContact OE2-NH2 2.74Å; E7-R48 PolarHBondContact OE2-NH2 2.94Å; Y15-R48 HydrophobicContact CD1-CG 4.18Å; Y15-R48 HydrophobicContact CE1-CG 4.03Å; R48-E66 IonicContact CZ-OE1 2.74Å; R48-E66 VanDerWaalsContact CZ-OE1 3.28Å; R48-E66 IonicContact CZ-OE2 3.47Å; R48-E66 IonicContact NH1-OE1 3.49Å; R48-E66 PolarHBondContact NH1-OE1 3.1Å; R48-E66 IonicContact NH2-OE1 3.48Å; R48-E66 PolarHBondContact NH2-OE1 3.01Å; R48-E66 IonicContact NH2-OE2 3.53Å; R48-E66 PolarHBondContact NH2-OE2 3.15Å; R48-R113 VanDerWaalsContact NH2-NH2 3.16Å; R48-N116 PolarHBondContact NE-ND2 3.08Å
49L90.8Very high83.9Confident64 Ų6476.5 Ų76.534%0.33540%0.404SS..PPolyproline II helixtrans-75.3144.6173-64.9175.8000110.4V6 N116 N118 V121 F126V6-L49 HydrophobicContact CG1-CD2 4.39Å; L49-N116 PolarHBondContact O-ND2 2.96Å; L49-N118 HydrophobicContact CB-CB 4.28Å; L49-N118 WeakPolarHBondContact O-CB 3.45Å; L49-N118 PolarHBondContact O-ND2 3.46Å; L49-V121 HydrophobicContact CG-CG1 4.35Å; L49-F126 HydrophobicContact CD2-CE1 4.23Å; L49-F126 HydrophobicContact CD2-CZ 4.03Å
50P89.6Confident83.6Confident52 Ų5272.6 Ų72.634%0.33839%0.393SS..PPolyproline II helixtrans-61.4152.7174.828.3-35.9000111.2A5 E7 N118A5-P50 WeakPolarHBondContact O-CD 3.36Å; E7-P50 HydrophobicContact CG-CB 4.32Å; P50-N118 PolarHBondContact O-ND2 3.04Å
51P87.9Confident83.6Confident39 Ų3973.3 Ų73.325%0.25340%0.4SS..PPolyproline II helixtrans-62.8149.4-175.427-35.1000111.7E7 N116E7-P51 VanDerWaalsContact OE1-CD 3.24Å; E7-P51 WeakPolarHBondContact OE1-CD 3.41Å; P51-N116 HydrophobicContact CB-CB 4.28Å
52P81.9Confident83.3Confident67 Ų6769.6 Ų69.644%0.43540%0.395SS..PPolyproline II helixtrans-62142.4177.1-18.630.6000112.1D54 V55P52-D54 PolarHBondContact O-N 3.19Å; P52-V55 HydrophobicContact CB-CG2 4.01Å; P52-V55 HydrophobicContact CG-CG2 4.19Å; P52-V55 WeakPolarHBondContact O-CG2 3.41Å; P52-V55 PolarHBondContact O-N 3.39Å
53A71.2Confident83.2Confident101 Ų10173 Ų7384%0.83541%0.41SS*.THydrogen-bonded Turntrans-62.8-25.8-171.900000114.7
54D61.3Low83.2Confident156 Ų15676.2 Ų76.283%0.83442%0.42SS*.THydrogen-bonded Turntrans-90.55.2-174.5-61.6-59.4000114.5P52 K56P52-D54 PolarHBondContact O-N 3.19Å; D54-K56 PolarHBondContact O-N 3.16Å
55V61.9Low83.2Confident62 Ų6275.2 Ų75.238%0.37642%0.416SS..  trans-78.764.1-178.2-1680000111.8P52 K57 P114P52-V55 HydrophobicContact CB-CG2 4.01Å; P52-V55 HydrophobicContact CG-CG2 4.19Å; P52-V55 WeakPolarHBondContact O-CG2 3.41Å; P52-V55 PolarHBondContact O-N 3.39Å; V55-K57 VanDerWaalsContact C-N 3.27Å; V55-K57 PolarHBondContact O-N 3.37Å; V55-P114 HydrophobicContact CG1-CG 4.46Å
56K60.2Low83.2Confident206 Ų20671.8 Ų71.890%0.89639%0.392SS*.  trans-76.679.5161.2-69.6-170-178.7-175.20109.7D54D54-K56 PolarHBondContact O-N 3.16Å
57K67.3Low83.2Confident121 Ų12169.7 Ų69.753%0.52638%0.38SS..  trans-82.8135.8156.6-97.4-168.8167.3-1570108.8V55 P114V55-K57 VanDerWaalsContact C-N 3.27Å; V55-K57 PolarHBondContact O-N 3.37Å; K57-P114 HydrophobicContact CB-CB 4.22Å; K57-P114 HydrophobicContact CB-CG 3.61Å; K57-P114 HydrophobicContact CD-CB 4.41Å
58E77.9Confident83.1Confident180 Ų18072.1 Ų72.184%0.84139%0.393SS*.  trans-64.4144.5158.2-65.8172-179.600108.3
59I85.9Confident82.9Confident9 Ų972.2 Ų72.25%0.04640%0.396CS..  trans-107.7117.3-176-70.2177.5000108.3V65 V84 Y92 F109 L112I59-V65 HydrophobicContact CD1-CG1 3.99Å; I59-V65 HydrophobicContact CG1-CG1 4.25Å; I59-V65 HydrophobicContact CG2-CG1 3.59Å; I59-V84 HydrophobicContact CG2-CG2 3.66Å; I59-Y92 HydrophobicContact CB-CE1 4.41Å; I59-Y92 HydrophobicContact CG2-CD1 4.32Å; I59-Y92 HydrophobicContact CG2-CE1 4.1Å; I59-F109 HydrophobicContact CB-CE2 4.25Å; I59-F109 HydrophobicContact CD1-CD2 4.27Å; I59-F109 HydrophobicContact CD1-CE2 3.73Å; I59-F109 HydrophobicContact CD1-CZ 4.47Å; I59-F109 HydrophobicContact CG1-CE2 3.99Å; I59-L112 HydrophobicContact CD1-CB 3.92Å
60G86.8Confident82.7Confident25 Ų2574.8 Ų74.826%0.25840%0.401SS..  trans-96.6166.7-178.300000115E63 V84G60-E63 PolarHBondContact N-OE2 2.85Å; G60-E63 PolarHBondContact O-N 3.33Å; G60-V84 WeakPolarHBondContact O-CB 3.33Å
61E90.6Very high82.2Confident117 Ų11774.8 Ų74.855%0.54741%0.405SS..THydrogen-bonded Turntrans-64.2137168.4-60.4-165.9139.700111E63 M86 M87E61-E63 VanDerWaalsContact C-N 3.27Å; E61-E63 PolarHBondContact O-N 3.48Å; E61-M86 WeakPolarHBondContact OE1-CA 3.41Å; E61-M86 WeakPolarHBondContact OE1-CB 3.23Å; E61-M87 HydrophobicContact CG-CB 4.34Å; E61-M87 HydrophobicContact CG-CG 3.68Å; E61-M87 HydrophobicContact CG-SD 3.96Å; E61-M87 PolarHBondContact OE1-N 2.96Å
62G87.2Confident81.7Confident43 Ų4377.2 Ų77.244%0.44342%0.417SS..THydrogen-bonded Turntrans81.3-5.3-178.400000115.1K83 V84G62-K83 WeakPolarHBondContact O-CE 3.38Å; G62-V84 VanDerWaalsContact CA-O 3.25Å; G62-V84 WeakPolarHBondContact CA-O 3.46Å; G62-V84 PolarHBondContact N-O 3.05Å
63E91Very high81.7Confident73 Ų7381.5 Ų81.534%0.34143%0.431SS..  trans-76.9152.2176.1-68.1-161.1121.700112.9G60 E61 K83 V84G60-E63 PolarHBondContact N-OE2 2.85Å; G60-E63 PolarHBondContact O-N 3.33Å; E61-E63 VanDerWaalsContact C-N 3.27Å; E61-E63 PolarHBondContact O-N 3.48Å; E63-K83 WeakPolarHBondContact O-CA 3.33Å; E63-V84 PolarHBondContact O-N 2.85Å
64E92Very high82Confident128 Ų12885.6 Ų85.660%0.59843%0.433SS*.EExtended strand (participates in β ladder)trans-83138.1168.5-67177.3-174.900110A82 V115E64-A82 WeakPolarHBondContact CA-O 3.4Å; E64-V115 HydrophobicContact CB-CG2 3.97Å; E64-V115 WeakPolarHBondContact O-CG2 3.17Å
65V91.9Very high83Confident1 Ų180 Ų801%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-140.4164.5-174.3-67.50000110.4I59 A82 V84 L112I59-V65 HydrophobicContact CD1-CG1 3.99Å; I59-V65 HydrophobicContact CG1-CG1 4.25Å; I59-V65 HydrophobicContact CG2-CG1 3.59Å; V65-A82 HydrophobicContact CG2-CB 4.28Å; V65-A82 PolarHBondContact N-O 2.84Å; V65-A82 PolarHBondContact O-N 3.26Å; V65-V84 HydrophobicContact CB-CG2 4.49Å; V65-V84 HydrophobicContact CG1-CG2 3.75Å; V65-V84 HydrophobicContact CG2-CG2 3.86Å; V65-L112 HydrophobicContact CG2-CD2 4.18Å
66E92.6Very high84.2Confident5 Ų579.6 Ų79.62%0.02340%0.4CS..EExtended strand (participates in β ladder)trans-109.1127.3166.1-72.5174.6-171.400110.3R48 W79 W80 R113 V115 N116R48-E66 IonicContact CZ-OE1 2.74Å; R48-E66 VanDerWaalsContact CZ-OE1 3.28Å; R48-E66 IonicContact CZ-OE2 3.47Å; R48-E66 IonicContact NH1-OE1 3.49Å; R48-E66 PolarHBondContact NH1-OE1 3.1Å; R48-E66 IonicContact NH2-OE1 3.48Å; R48-E66 PolarHBondContact NH2-OE1 3.01Å; R48-E66 IonicContact NH2-OE2 3.53Å; R48-E66 PolarHBondContact NH2-OE2 3.15Å; E66-W79 HydrophobicContact CB-CB 4.44Å; E66-W79 HydrophobicContact CB-CE3 4.14Å; E66-W80 CarbonylContact C-O 3.37Å; E66-W80 VanDerWaalsContact CA-O 3.22Å; E66-W80 WeakPolarHBondContact CA-O 3.44Å; E66-R113 HydrophobicContact CB-CG 3.85Å; E66-R113 PolarHBondContact N-O 3.42Å; E66-R113 PolarHBondContact O-N 3.18Å; E66-R113 IonicContact OE2-CZ 2.81Å; E66-R113 VanDerWaalsContact OE2-CZ 3.23Å; E66-R113 IonicContact OE2-NE 3.19Å; E66-R113 PolarHBondContact OE2-NE 3Å; E66-R113 IonicContact OE2-NH2 3.16Å; E66-R113 PolarHBondContact OE2-NH2 2.97Å; E66-V115 HydrophobicContact CG-CG2 4.4Å; E66-N116 PolarHBondContact OE1-N 3.24Å; E66-N116 VanDerWaalsContact OE1-N 3.15Å
67I92.1Very high85.6Confident0 Ų072.9 Ų72.90%038%0.378CS..EExtended strand (participates in β ladder)trans-102.8134.4178.6178.7174.8000111.1S69 W79 W80 A82 I94 Y96 V107 R111 L112I67-S69 PolarHBondContact O-N 2.94Å; I67-W79 WeakPolarHBondContact O-CA 3.38Å; I67-W80 HydrophobicContact CG2-CB 3.86Å; I67-W80 PolarHBondContact N-O 2.77Å; I67-W80 PolarHBondContact O-N 2.78Å; I67-A82 HydrophobicContact CG2-CB 3.89Å; I67-I94 HydrophobicContact CD1-CD1 3.59Å; I67-I94 HydrophobicContact CD1-CG1 3.93Å; I67-I94 HydrophobicContact CG2-CD1 4.18Å; I67-Y96 HydrophobicContact CG2-CD1 4.26Å; I67-Y96 HydrophobicContact CG2-CE1 3.66Å; I67-V107 HydrophobicContact CD1-CG1 3.69Å; I67-V107 HydrophobicContact CD1-CG2 4.24Å; I67-R111 CarbonylContact C-O 3.48Å; I67-R111 WeakPolarHBondContact CA-O 3.38Å; I67-L112 HydrophobicContact CB-CD2 3.81Å; I67-L112 HydrophobicContact CG1-CD2 4.11Å
68L92Very high86.8Confident52 Ų5267.2 Ų67.227%0.27235%0.354SS..EExtended strand (participates in β ladder)trans-79110.8169.6-171.561.1000109.9C77 G78 W79 R111L68-C77 HydrophobicContact CD1-CB 3.49Å; L68-C77 VanDerWaalsContact CD1-CB 3.49Å; L68-C77 HydrophobicContact CG-CB 3.73Å; L68-G78 WeakPolarHBondContact CA-O 3.44Å; L68-W79 HydrophobicContact CB-CD2 4.4Å; L68-W79 HydrophobicContact CB-CE3 4Å; L68-W79 HydrophobicContact CB-CH2 3.82Å; L68-W79 HydrophobicContact CB-CZ2 4.22Å; L68-W79 HydrophobicContact CB-CZ3 3.69Å; L68-W79 HydrophobicContact CD1-CD2 4.19Å; L68-W79 HydrophobicContact CD1-CZ2 4.09Å; L68-W79 HydrophobicContact CD2-CH2 4.37Å; L68-W79 HydrophobicContact CD2-CZ2 4.29Å; L68-W79 HydrophobicContact CG-CH2 4.47Å; L68-W79 HydrophobicContact CG-CZ2 4.44Å; L68-R111 PolarHBondContact N-O 3.23Å; L68-R111 PolarHBondContact O-NE 3.12Å; L68-R111 PolarHBondContact O-NH2 3.02Å; L68-R111 VanDerWaalsContact O-NH2 3.17Å
69S89.2Confident87.5Confident16 Ų1661 Ų6111%0.11232%0.323CS..EExtended strand (participates in β ladder)trans-153.3160.5-176.9-157.10000112.3I67 C77 G78 W80 Y96 R111I67-S69 PolarHBondContact O-N 2.94Å; S69-C77 CarbonylContact O-C 3.56Å; S69-C77 VanDerWaalsContact O-CA 3.3Å; S69-C77 WeakPolarHBondContact O-CA 3.33Å; S69-G78 PolarHBondContact N-O 3.17Å; S69-G78 PolarHBondContact O-N 3.11Å; S69-G78 VanDerWaalsContact O-O 3.05Å; S69-W80 PolarHBondContact O-NE1 3.13Å; S69-Y96 WeakPolarHBondContact CB-OH 3.44Å; S69-Y96 PolarHBondContact OG-OH 3.01Å; S69-R111 PolarHBondContact OG-NH2 3.38Å
70R87.3Confident87.8Confident117 Ų11761.8 Ų61.844%0.44233%0.325SS..  trans-117.7136.7177.663.1-177.4-178.1155.39.3110E73R70-E73 IonicContact CZ-OE1 3.42Å; R70-E73 PolarHBondContact NH1-O 2.97Å; R70-E73 IonicContact NH2-OE1 3.31Å; R70-E73 PolarHBondContact NH2-OE1 2.9Å
71A79.1Confident88Confident52 Ų5264.2 Ų64.243%0.4333%0.332SS..SBendtrans-72.1-41.9176.600000111.8W80A71-W80 HydrophobicContact CB-CH2 3.93Å; A71-W80 HydrophobicContact CB-CZ2 3.82Å
72N77.4Confident88Confident91 Ų9158.7 Ų58.749%0.48731%0.306SS..SBendtrans-130.5157.1-175.8-63.7-61000109.7Q74 E75N72-Q74 PolarHBondContact O-N 3.21Å; N72-E75 HydrophobicContact CB-CG 4.16Å; N72-E75 PolarHBondContact ND2-OE1 3.09Å; N72-E75 PolarHBondContact O-N 3.03Å; N72-E75 VanDerWaalsContact O-N 3.12Å
73E80.1Confident88.2Confident157 Ų15761.5 Ų61.573%0.73431%0.306SS*.THydrogen-bonded Turntrans-66.7-22.4177.1-58.4-15110700113.9R70 E75R70-E73 IonicContact CZ-OE1 3.42Å; R70-E73 PolarHBondContact NH1-O 2.97Å; R70-E73 IonicContact NH2-OE1 3.31Å; R70-E73 PolarHBondContact NH2-OE1 2.9Å; E73-E75 VanDerWaalsContact C-N 3.3Å
74Q78.6Confident88.3Confident187 Ų18758 Ų5887%0.87429%0.29SS*.THydrogen-bonded Turntrans-79.6-11.1176.6-611775.200113N72N72-Q74 PolarHBondContact O-N 3.21Å
75E82.8Confident88.2Confident39 Ų3959.2 Ų59.218%0.18229%0.289CS..SBendtrans-102.4143.3179.4-64.9-178.7-14900111.1Y16 W36 N72 E73Y16-E75 PolarHBondContact OH-OE2 2.89Å; W36-E75 HydrophobicContact CH2-CG 4.36Å; W36-E75 HydrophobicContact CZ3-CB 4.23Å; W36-E75 HydrophobicContact CZ3-CG 3.86Å; N72-E75 HydrophobicContact CB-CG 4.16Å; N72-E75 PolarHBondContact ND2-OE1 3.09Å; N72-E75 PolarHBondContact O-N 3.03Å; N72-E75 VanDerWaalsContact O-N 3.12Å; E73-E75 VanDerWaalsContact C-N 3.3Å
76P87.1Confident88.1Confident52 Ų5263.3 Ų63.334%0.33831%0.309SS..PPolyproline II helixtrans-69161.9165.932.9-35000110.3Y16 W36 G78Y16-P76 HydrophobicContact CD1-CG 4.24Å; Y16-P76 HydrophobicContact CE1-CG 4.46Å; W36-P76 HydrophobicContact CD2-CG 3.56Å; W36-P76 VanDerWaalsContact CE2-CG 3.47Å; W36-P76 HydrophobicContact CE3-CG 4.16Å; W36-P76 HydrophobicContact CG-CG 3.73Å; W36-P76 HydrophobicContact CZ2-CG 4Å; P76-G78 PolarHBondContact O-N 3.03Å
77C89.4Confident88Confident66 Ų6666.4 Ų66.445%0.44632%0.324SS..PPolyproline II helixtrans-65.9127.2175.3-57.50000111.2L68 S69L68-C77 HydrophobicContact CD1-CB 3.49Å; L68-C77 VanDerWaalsContact CD1-CB 3.49Å; L68-C77 HydrophobicContact CG-CB 3.73Å; S69-C77 CarbonylContact O-C 3.56Å; S69-C77 VanDerWaalsContact O-CA 3.3Å; S69-C77 WeakPolarHBondContact O-CA 3.33Å
78G90.9Very high87.9Confident1 Ų174.3 Ų74.31%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-104.9171.1167.600000111.4Y15 L68 S69 P76 W80Y15-G78 WeakPolarHBondContact O-CA 3.29Å; L68-G78 WeakPolarHBondContact CA-O 3.44Å; S69-G78 PolarHBondContact N-O 3.17Å; S69-G78 PolarHBondContact O-N 3.11Å; S69-G78 VanDerWaalsContact O-O 3.05Å; P76-G78 PolarHBondContact O-N 3.03Å; G78-W80 VanDerWaalsContact O-CD1 3.26Å
79W93.3Very high87.7Confident51 Ų5174.7 Ų74.719%0.19338%0.375CS..EExtended strand (participates in β ladder)trans-93.7119.2174.5-65.498.3000110.6Y15 E66 I67 L68 R113Y15-W79 PolarHBondContact N-O 2.73Å; Y15-W79 PolarHBondContact O-N 2.62Å; E66-W79 HydrophobicContact CB-CB 4.44Å; E66-W79 HydrophobicContact CB-CE3 4.14Å; I67-W79 WeakPolarHBondContact O-CA 3.38Å; L68-W79 HydrophobicContact CB-CD2 4.4Å; L68-W79 HydrophobicContact CB-CE3 4Å; L68-W79 HydrophobicContact CB-CH2 3.82Å; L68-W79 HydrophobicContact CB-CZ2 4.22Å; L68-W79 HydrophobicContact CB-CZ3 3.69Å; L68-W79 HydrophobicContact CD1-CD2 4.19Å; L68-W79 HydrophobicContact CD1-CZ2 4.09Å; L68-W79 HydrophobicContact CD2-CH2 4.37Å; L68-W79 HydrophobicContact CD2-CZ2 4.29Å; L68-W79 HydrophobicContact CG-CH2 4.47Å; L68-W79 HydrophobicContact CG-CZ2 4.44Å; W79-R113 HydrophobicContact CD2-CG 4.47Å; W79-R113 VanDerWaalsContact CD2-CZ 3.49Å; W79-R113 HydrophobicContact CE3-CG 3.74Å; W79-R113 HydrophobicContact CH2-CB 4.38Å; W79-R113 HydrophobicContact CH2-CG 4.08Å; W79-R113 HydrophobicContact CZ3-CB 4.08Å; W79-R113 HydrophobicContact CZ3-CG 3.52Å
80W91.8Very high87.6Confident24 Ų2479.9 Ų79.99%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-108.5142.2-178.8-56.874.8000110.3N12 A14 E66 I67 S69 A71 G78 Y96N12-W80 HydrophobicContact CB-CH2 3.88Å; N12-W80 HydrophobicContact CB-CZ3 4.2Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.18Å; A14-W80 HydrophobicContact CB-CD2 3.61Å; A14-W80 VanDerWaalsContact CB-CE2 3.46Å; A14-W80 HydrophobicContact CB-CE3 3.93Å; A14-W80 HydrophobicContact CB-CG 4.14Å; A14-W80 HydrophobicContact CB-CH2 3.98Å; A14-W80 HydrophobicContact CB-CZ2 3.65Å; A14-W80 HydrophobicContact CB-CZ3 4.11Å; E66-W80 CarbonylContact C-O 3.37Å; E66-W80 VanDerWaalsContact CA-O 3.22Å; E66-W80 WeakPolarHBondContact CA-O 3.44Å; I67-W80 HydrophobicContact CG2-CB 3.86Å; I67-W80 PolarHBondContact N-O 2.77Å; I67-W80 PolarHBondContact O-N 2.78Å; S69-W80 PolarHBondContact O-NE1 3.13Å; A71-W80 HydrophobicContact CB-CH2 3.93Å; A71-W80 HydrophobicContact CB-CZ2 3.82Å; G78-W80 VanDerWaalsContact O-CD1 3.26Å; W80-Y96 HydrophobicContact CB-CD1 3.95Å; W80-Y96 HydrophobicContact CB-CE1 3.83Å; W80-Y96 HydrophobicContact CD2-CE1 4.34Å; W80-Y96 HydrophobicContact CG-CD1 4.32Å; W80-Y96 AromaticContact CG-CE1 3.92Å; W80-Y96 HydrophobicContact CG-CE1 3.92Å
81L91.8Very high87.8Confident77 Ų7780 Ų8040%0.40341%0.405SS..EExtended strand (participates in β ladder)trans-73.4129.4172.1-171.467.9000109.9A97 V115L81-A97 HydrophobicContact CB-CB 4.2Å; L81-A97 HydrophobicContact CD2-CB 4.09Å; L81-A97 HydrophobicContact CG-CB 4.04Å; L81-A97 WeakPolarHBondContact O-CB 3.38Å; L81-A97 PolarHBondContact O-N 3.18Å; L81-V115 HydrophobicContact CD1-CG1 4.33Å; L81-V115 HydrophobicContact CD1-CG2 3.7Å
82A91.2Very high88.5Confident1 Ų178.6 Ų78.61%0.00839%0.389CS..EExtended strand (participates in β ladder)trans-144.5169.9179.300000110.8E64 V65 I67 I94 E95E64-A82 WeakPolarHBondContact CA-O 3.4Å; V65-A82 HydrophobicContact CG2-CB 4.28Å; V65-A82 PolarHBondContact N-O 2.84Å; V65-A82 PolarHBondContact O-N 3.26Å; I67-A82 HydrophobicContact CG2-CB 3.89Å; A82-I94 HydrophobicContact CB-CB 4.43Å; A82-I94 HydrophobicContact CB-CD1 3.89Å; A82-E95 CarbonylContact C-O 3.59Å; A82-E95 WeakPolarHBondContact CA-O 3.28Å; A82-E95 WeakPolarHBondContact CB-O 3.43Å
83K91.7Very high89.2Confident101 Ų10175.6 Ų75.644%0.43937%0.374SS..EExtended strand (participates in β ladder)trans-123.1136176-169.5175.1-173.2171.80110.6G62 E63 R85 I94 E95G62-K83 WeakPolarHBondContact O-CE 3.38Å; E63-K83 WeakPolarHBondContact O-CA 3.33Å; K83-R85 PolarHBondContact O-N 2.69Å; K83-I94 VanDerWaalsContact O-CA 3.3Å; K83-I94 WeakPolarHBondContact O-CA 3.5Å; K83-E95 PolarHBondContact N-O 3.18Å; K83-E95 PolarHBondContact O-N 2.67Å
84V91.8Very high89.7Confident0 Ų068.1 Ų68.10%034%0.339CS..EExtended strand (participates in β ladder)trans-75.1118.5172.7-177.50000108.8I59 G60 G62 E63 V65 Y92 I94I59-V84 HydrophobicContact CG2-CG2 3.66Å; G60-V84 WeakPolarHBondContact O-CB 3.33Å; G62-V84 VanDerWaalsContact CA-O 3.25Å; G62-V84 WeakPolarHBondContact CA-O 3.46Å; G62-V84 PolarHBondContact N-O 3.05Å; E63-V84 PolarHBondContact O-N 2.85Å; V65-V84 HydrophobicContact CB-CG2 4.49Å; V65-V84 HydrophobicContact CG1-CG2 3.75Å; V65-V84 HydrophobicContact CG2-CG2 3.86Å; V84-Y92 HydrophobicContact CG1-CD1 4.15Å; V84-I94 HydrophobicContact CG2-CG2 4.3Å
85R90.2Very high90.3Very high154 Ų15462.1 Ų62.158%0.58131%0.311SS*.EExtended strand (participates in β ladder)trans-91-37.7-179.7-176.6174.8173-171.91.6112.5K83 V93 N104K83-R85 PolarHBondContact O-N 2.69Å; R85-V93 PolarHBondContact N-O 2.93Å; R85-N104 PolarHBondContact NH1-OD1 3.22Å
86M89.4Confident90.5Very high86 Ų8661.1 Ų61.142%0.42431%0.306SS..EExtended strand (participates in β ladder)trans-162.4157.4172.657.6176.9-66.200110.7E61 V93E61-M86 WeakPolarHBondContact OE1-CA 3.41Å; E61-M86 WeakPolarHBondContact OE1-CB 3.23Å; M86-V93 HydrophobicContact CG-CB 3.67Å; M86-V93 HydrophobicContact CG-CG1 4.49Å; M86-V93 HydrophobicContact CG-CG2 3.59Å; M86-V93 PolarHBondContact O-N 2.77Å; M86-V93 HydrophobicContact SD-CG2 4.12Å
87M90.6Very high90.3Very high70 Ų7062 Ų6235%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-127.7145.7175.270.1-167-66.400111.5E61 F91 Y92E61-M87 HydrophobicContact CG-CB 4.34Å; E61-M87 HydrophobicContact CG-CG 3.68Å; E61-M87 HydrophobicContact CG-SD 3.96Å; E61-M87 PolarHBondContact OE1-N 2.96Å; M87-F91 CarbonylContact C-O 3.54Å; M87-F91 WeakPolarHBondContact CA-O 3.23Å; M87-Y92 HydrophobicContact CB-CD1 3.99Å; M87-Y92 HydrophobicContact CB-CE1 4.12Å; M87-Y92 HydrophobicContact CE-CE1 3.72Å; M87-Y92 HydrophobicContact SD-CE1 4.45Å
88K90.9Very high89.4Confident167 Ų16762 Ų6273%0.72632%0.323SS*.EExtended strand (participates in β ladder)trans-148.695.5179.4-170.6178.4179.6-178.40111.2F91K88-F91 PolarHBondContact N-O 2.76Å
89G87.4Confident88.1Confident59 Ų5965.3 Ų65.361%0.60834%0.344SS*.THydrogen-bonded Turntrans63.4-135.8-166.300000109.4F91G89-F91 PolarHBondContact O-N 3.04Å
90D87.7Confident86.4Confident126 Ų12669.6 Ų69.667%0.67437%0.371SS*.THydrogen-bonded Turntrans-77.4-0.7-176.8-47.8-61000114.3Y92 T108D90-Y92 WeakPolarHBondContact O-CD2 3.39Å; D90-T108 WeakPolarHBondContact O-CA 3.37Å
91F91.6Very high84.9Confident118 Ų11871.4 Ų71.452%0.51839%0.391SS..EExtended strand (participates in β ladder)trans-101.2130.3-178.6-62.2-76.9000112.5M87 K88 G89 I106 T108M87-F91 CarbonylContact C-O 3.54Å; M87-F91 WeakPolarHBondContact CA-O 3.23Å; K88-F91 PolarHBondContact N-O 2.76Å; G89-F91 PolarHBondContact O-N 3.04Å; F91-I106 HydrophobicContact CB-CG2 4.1Å; F91-I106 HydrophobicContact CD1-CG2 4.14Å; F91-I106 HydrophobicContact CG-CG2 4.49Å; F91-T108 HydrophobicContact CD1-CG2 4.45Å; F91-T108 HydrophobicContact CE1-CG2 4.29Å
92Y92.1Very high83.4Confident23 Ų2373.8 Ų73.89%0.0941%0.409CS..EExtended strand (participates in β ladder)trans-116.7126.9179.7-62.1-103.9000108.5I59 V84 M87 D90 I106 V107 F109 L112I59-Y92 HydrophobicContact CB-CE1 4.41Å; I59-Y92 HydrophobicContact CG2-CD1 4.32Å; I59-Y92 HydrophobicContact CG2-CE1 4.1Å; V84-Y92 HydrophobicContact CG1-CD1 4.15Å; M87-Y92 HydrophobicContact CB-CD1 3.99Å; M87-Y92 HydrophobicContact CB-CE1 4.12Å; M87-Y92 HydrophobicContact CE-CE1 3.72Å; M87-Y92 HydrophobicContact SD-CE1 4.45Å; D90-Y92 WeakPolarHBondContact O-CD2 3.39Å; Y92-I106 WeakPolarHBondContact O-CA 3.12Å; Y92-V107 PolarHBondContact N-O 3.25Å; Y92-V107 PolarHBondContact O-N 3.45Å; Y92-F109 HydrophobicContact CE2-CB 3.88Å; Y92-F109 HydrophobicContact CE2-CD2 4.27Å; Y92-F109 AromaticContact CZ-CD2 4Å; Y92-L112 HydrophobicContact CD1-CD1 3.99Å; Y92-L112 HydrophobicContact CD2-CD1 4.15Å; Y92-L112 HydrophobicContact CG-CD1 3.68Å
93V92.3Very high82.5Confident28 Ų2880.2 Ų80.217%0.1743%0.434CS..EExtended strand (participates in β ladder)trans-91.6119.3170.7-174.10000107.5R85 M86 N104 E105 I106R85-V93 PolarHBondContact N-O 2.93Å; M86-V93 HydrophobicContact CG-CB 3.67Å; M86-V93 HydrophobicContact CG-CG1 4.49Å; M86-V93 HydrophobicContact CG-CG2 3.59Å; M86-V93 PolarHBondContact O-N 2.77Å; M86-V93 HydrophobicContact SD-CG2 4.12Å; V93-N104 HydrophobicContact CG1-CB 4.44Å; V93-E105 WeakPolarHBondContact CA-O 3.22Å; V93-I106 HydrophobicContact CG2-CG1 4.31Å
94I91.6Very high82.1Confident0 Ų078 Ų780%043%0.427CS..EExtended strand (participates in β ladder)trans-120.8147.9-174.866.994.1000112I67 A82 K83 V84 Y96 N104 E105 V107 L112I67-I94 HydrophobicContact CD1-CD1 3.59Å; I67-I94 HydrophobicContact CD1-CG1 3.93Å; I67-I94 HydrophobicContact CG2-CD1 4.18Å; A82-I94 HydrophobicContact CB-CB 4.43Å; A82-I94 HydrophobicContact CB-CD1 3.89Å; K83-I94 VanDerWaalsContact O-CA 3.3Å; K83-I94 WeakPolarHBondContact O-CA 3.5Å; V84-I94 HydrophobicContact CG2-CG2 4.3Å; I94-Y96 HydrophobicContact CD1-CD2 3.72Å; I94-Y96 HydrophobicContact CD1-CE2 3.53Å; I94-Y96 HydrophobicContact CD1-CG 4.42Å; I94-N104 WeakPolarHBondContact O-CA 3.35Å; I94-E105 HydrophobicContact CD1-CB 4.17Å; I94-E105 HydrophobicContact CG1-CB 4.28Å; I94-E105 PolarHBondContact N-O 2.79Å; I94-E105 PolarHBondContact O-N 3.42Å; I94-V107 HydrophobicContact CG1-CG2 4.24Å; I94-V107 HydrophobicContact CG2-CG2 4.27Å; I94-L112 HydrophobicContact CG2-CD1 4.31Å; I94-L112 HydrophobicContact CG2-CD2 4.25Å
95E90.2Very high81.9Confident62 Ų6279.7 Ų79.729%0.2944%0.435SS..EExtended strand (participates in β ladder)trans-116.9123.2179.7-172.1179.1156.100108.6A82 K83 A101A82-E95 CarbonylContact C-O 3.59Å; A82-E95 WeakPolarHBondContact CA-O 3.28Å; A82-E95 WeakPolarHBondContact CB-O 3.43Å; K83-E95 PolarHBondContact N-O 3.18Å; K83-E95 PolarHBondContact O-N 2.67Å; E95-A101 WeakPolarHBondContact OE1-CB 3.49Å
96Y87.9Confident82Confident17 Ų1777.9 Ų77.97%0.06744%0.436CS..EExtended strand (participates in β ladder)trans-77.1129.2-175.5-79.2-99.2000111.6I67 S69 W80 I94 A98 C99 Y103 E105I67-Y96 HydrophobicContact CG2-CD1 4.26Å; I67-Y96 HydrophobicContact CG2-CE1 3.66Å; S69-Y96 WeakPolarHBondContact CB-OH 3.44Å; S69-Y96 PolarHBondContact OG-OH 3.01Å; W80-Y96 HydrophobicContact CB-CD1 3.95Å; W80-Y96 HydrophobicContact CB-CE1 3.83Å; W80-Y96 HydrophobicContact CD2-CE1 4.34Å; W80-Y96 HydrophobicContact CG-CD1 4.32Å; W80-Y96 AromaticContact CG-CE1 3.92Å; W80-Y96 HydrophobicContact CG-CE1 3.92Å; I94-Y96 HydrophobicContact CD1-CD2 3.72Å; I94-Y96 HydrophobicContact CD1-CE2 3.53Å; I94-Y96 HydrophobicContact CD1-CG 4.42Å; Y96-A98 PolarHBondContact O-N 3.5Å; Y96-C99 PolarHBondContact O-N 3.44Å; Y96-Y103 AromaticContact CD2-CD1 3.81Å; Y96-Y103 HydrophobicContact CD2-CD1 3.81Å; Y96-Y103 HydrophobicContact CD2-CE1 4.3Å; Y96-Y103 AromaticContact CE2-CD1 3.95Å; Y96-Y103 HydrophobicContact CE2-CD1 3.95Å; Y96-Y103 AromaticContact CE2-CE1 3.96Å; Y96-Y103 HydrophobicContact CE2-CE1 3.96Å; Y96-E105 HydrophobicContact CE2-CB 4.04Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.5Å; Y96-E105 PolarHBondContact OH-OE2 2.81Å
97A82.8Confident82.1Confident71 Ų7174 Ų7459%0.58742%0.417SS*.THydrogen-bonded Turntrans-75-7.5-178.900000114.4L81L81-A97 HydrophobicContact CB-CB 4.2Å; L81-A97 HydrophobicContact CD2-CB 4.09Å; L81-A97 HydrophobicContact CG-CB 4.04Å; L81-A97 WeakPolarHBondContact O-CB 3.38Å; L81-A97 PolarHBondContact O-N 3.18Å
98A71Confident82.1Confident67 Ų6772.9 Ų72.955%0.55441%0.414SS*.THydrogen-bonded Turntrans-102.9-5.1-179.700000113.9Y96Y96-A98 PolarHBondContact O-N 3.5Å
99C62.5Low82Confident69 Ų6969.7 Ų69.747%0.46640%0.4SS..SBendtrans-118.3153.3177.9-64.60000109.2Y96Y96-C99 PolarHBondContact O-N 3.44Å
100D58.7Low82.1Confident141 Ų14175.1 Ų75.175%0.75441%0.41SS*.  trans-57.9144.8167-67.8-49.2000110T102 Y103D100-T102 PolarHBondContact O-N 3.08Å; D100-T102 PolarHBondContact O-OG1 3.09Å; D100-Y103 PolarHBondContact O-N 3.4Å
101A60Low82.2Confident62 Ų6272.7 Ų72.751%0.51239%0.391SS..THydrogen-bonded Turntrans-56.35.6-167.800000117.6E95 N104E95-A101 WeakPolarHBondContact OE1-CB 3.49Å; A101-N104 PolarHBondContact O-ND2 2.87Å
102T59.4Low82.2Confident127 Ų12767.6 Ų67.678%0.77937%0.37SS*.THydrogen-bonded Turntrans-73.2-34.5174.661.50000112.4D100 N104D100-T102 PolarHBondContact O-N 3.08Å; D100-T102 PolarHBondContact O-OG1 3.09Å; T102-N104 PolarHBondContact O-N 2.81Å; T102-N104 PolarHBondContact O-ND2 3.3Å
103Y73Confident82.1Confident136 Ų13668 Ų6853%0.53337%0.371SS..  trans-87.399.7-173.8-159.2-93.7000112.5Y96 D100Y96-Y103 AromaticContact CD2-CD1 3.81Å; Y96-Y103 HydrophobicContact CD2-CD1 3.81Å; Y96-Y103 HydrophobicContact CD2-CE1 4.3Å; Y96-Y103 AromaticContact CE2-CD1 3.95Å; Y96-Y103 HydrophobicContact CE2-CD1 3.95Å; Y96-Y103 AromaticContact CE2-CE1 3.96Å; Y96-Y103 HydrophobicContact CE2-CE1 3.96Å; D100-Y103 PolarHBondContact O-N 3.4Å
104N83.1Confident82Confident55 Ų5567.9 Ų67.929%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-108.8130.3176.7-66.9-120.6000108.7R85 V93 I94 A101 T102R85-N104 PolarHBondContact NH1-OD1 3.22Å; V93-N104 HydrophobicContact CG1-CB 4.44Å; I94-N104 WeakPolarHBondContact O-CA 3.35Å; A101-N104 PolarHBondContact O-ND2 2.87Å; T102-N104 PolarHBondContact O-N 2.81Å; T102-N104 PolarHBondContact O-ND2 3.3Å
105E88.4Confident82Confident36 Ų3670.5 Ų70.517%0.16839%0.386CS..EExtended strand (participates in β ladder)trans-114.5149.7176.7-165.2-178.4161.900110.6V93 I94 Y96 V107 R111V93-E105 WeakPolarHBondContact CA-O 3.22Å; I94-E105 HydrophobicContact CD1-CB 4.17Å; I94-E105 HydrophobicContact CG1-CB 4.28Å; I94-E105 PolarHBondContact N-O 2.79Å; I94-E105 PolarHBondContact O-N 3.42Å; Y96-E105 HydrophobicContact CE2-CB 4.04Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.5Å; Y96-E105 PolarHBondContact OH-OE2 2.81Å; E105-V107 HydrophobicContact CG-CG1 3.89Å; E105-R111 IonicContact OE1-CZ 2.73Å; E105-R111 IonicContact OE1-NH1 2.69Å; E105-R111 PolarHBondContact OE1-NH1 2.99Å; E105-R111 IonicContact OE1-NH2 2.78Å; E105-R111 PolarHBondContact OE1-NH2 3.31Å; E105-R111 IonicContact OE2-NH2 3.19Å
106I91.3Very high82Confident115 Ų11567.9 Ų67.959%0.5938%0.375SS*.EExtended strand (participates in β ladder)trans-107.7121.2173.3-50.4-176.4000108.3F91 Y92 V93F91-I106 HydrophobicContact CB-CG2 4.1Å; F91-I106 HydrophobicContact CD1-CG2 4.14Å; F91-I106 HydrophobicContact CG-CG2 4.49Å; Y92-I106 WeakPolarHBondContact O-CA 3.12Å; V93-I106 HydrophobicContact CG2-CG1 4.31Å
107V91.8Very high82Confident5 Ų571.3 Ų71.33%0.0340%0.399CS..EExtended strand (participates in β ladder)trans-134.8161.4-175.6-59.70000113I67 Y92 I94 E105 L112I67-V107 HydrophobicContact CD1-CG1 3.69Å; I67-V107 HydrophobicContact CD1-CG2 4.24Å; Y92-V107 PolarHBondContact N-O 3.25Å; Y92-V107 PolarHBondContact O-N 3.45Å; I94-V107 HydrophobicContact CG1-CG2 4.24Å; I94-V107 HydrophobicContact CG2-CG2 4.27Å; E105-V107 HydrophobicContact CG-CG1 3.89Å; V107-L112 HydrophobicContact CG2-CD1 4.04Å; V107-L112 HydrophobicContact CG2-CD2 3.84Å; V107-L112 HydrophobicContact CG2-CG 3.88Å
108T91.3Very high82.3Confident47 Ų4770.2 Ų70.229%0.28838%0.383SS..EExtended strand (participates in β ladder)trans-87.4160169.254.40000111D90 F91 E110 R111D90-T108 WeakPolarHBondContact O-CA 3.37Å; F91-T108 HydrophobicContact CD1-CG2 4.45Å; F91-T108 HydrophobicContact CE1-CG2 4.29Å; T108-E110 PolarHBondContact O-N 3.02Å; T108-E110 VanDerWaalsContact O-N 3.11Å; T108-R111 PolarHBondContact O-N 3.45Å; T108-R111 VanDerWaalsContact O-N 3.14Å
109F87.6Confident83.2Confident99 Ų9975.9 Ų75.943%0.43440%0.395SS..G310 helixtrans-53.8-30.3177-173.6-95.2000113.4I59 Y92 R111 L112I59-F109 HydrophobicContact CB-CE2 4.25Å; I59-F109 HydrophobicContact CD1-CD2 4.27Å; I59-F109 HydrophobicContact CD1-CE2 3.73Å; I59-F109 HydrophobicContact CD1-CZ 4.47Å; I59-F109 HydrophobicContact CG1-CE2 3.99Å; Y92-F109 HydrophobicContact CE2-CB 3.88Å; Y92-F109 HydrophobicContact CE2-CD2 4.27Å; Y92-F109 AromaticContact CZ-CD2 4Å; F109-R111 PolarHBondContact O-N 3.15Å; F109-R111 VanDerWaalsContact O-N 3.14Å; F109-L112 PolarHBondContact O-N 3.01Å
110E89.6Confident84.5Confident173 Ų17375 Ų7581%0.80839%0.393SS*.G310 helixtrans-58.7-25.7179.4-58.1179.7142.800114.3T108T108-E110 PolarHBondContact O-N 3.02Å; T108-E110 VanDerWaalsContact O-N 3.11Å
111R91.1Very high86.1Confident76 Ų7668.7 Ų68.729%0.28736%0.359SS..G310 helixtrans-94.3-1.3176.2-74-179.961.4-154.9-6.1113.4I67 L68 S69 E105 T108 F109I67-R111 CarbonylContact C-O 3.48Å; I67-R111 WeakPolarHBondContact CA-O 3.38Å; L68-R111 PolarHBondContact N-O 3.23Å; L68-R111 PolarHBondContact O-NE 3.12Å; L68-R111 PolarHBondContact O-NH2 3.02Å; L68-R111 VanDerWaalsContact O-NH2 3.17Å; S69-R111 PolarHBondContact OG-NH2 3.38Å; E105-R111 IonicContact OE1-CZ 2.73Å; E105-R111 IonicContact OE1-NH1 2.69Å; E105-R111 PolarHBondContact OE1-NH1 2.99Å; E105-R111 IonicContact OE1-NH2 2.78Å; E105-R111 PolarHBondContact OE1-NH2 3.31Å; E105-R111 IonicContact OE2-NH2 3.19Å; T108-R111 PolarHBondContact O-N 3.45Å; T108-R111 VanDerWaalsContact O-N 3.14Å; F109-R111 PolarHBondContact O-N 3.15Å; F109-R111 VanDerWaalsContact O-N 3.14Å
112L90Very high87.4Confident11 Ų1169.3 Ų69.36%0.05836%0.357CS..EExtended strand (participates in β ladder)trans-110.2149.3-177.9-63.3-177.4000111.5I59 V65 I67 Y92 I94 V107 F109I59-L112 HydrophobicContact CD1-CB 3.92Å; V65-L112 HydrophobicContact CG2-CD2 4.18Å; I67-L112 HydrophobicContact CB-CD2 3.81Å; I67-L112 HydrophobicContact CG1-CD2 4.11Å; Y92-L112 HydrophobicContact CD1-CD1 3.99Å; Y92-L112 HydrophobicContact CD2-CD1 4.15Å; Y92-L112 HydrophobicContact CG-CD1 3.68Å; I94-L112 HydrophobicContact CG2-CD1 4.31Å; I94-L112 HydrophobicContact CG2-CD2 4.25Å; V107-L112 HydrophobicContact CG2-CD1 4.04Å; V107-L112 HydrophobicContact CG2-CD2 3.84Å; V107-L112 HydrophobicContact CG2-CG 3.88Å; F109-L112 PolarHBondContact O-N 3.01Å
113R91.2Very high88.6Confident30 Ų3067.9 Ų67.911%0.11334%0.34CS..EExtended strand (participates in β ladder)trans-142.3157.3164.269.4-177.4-170.4-1807.6110.7E7 R48 E66 W79E7-R113 IonicContact OE1-CZ 3.23Å; E7-R113 IonicContact OE1-NH1 2.95Å; E7-R113 PolarHBondContact OE1-NH1 3.29Å; E7-R113 IonicContact OE1-NH2 3.64Å; E7-R113 PolarHBondContact OE1-NH2 3.29Å; E7-R113 IonicContact OE2-CZ 2.66Å; E7-R113 IonicContact OE2-NH2 2.77Å; E7-R113 PolarHBondContact OE2-NH2 2.76Å; R48-R113 VanDerWaalsContact NH2-NH2 3.16Å; E66-R113 HydrophobicContact CB-CG 3.85Å; E66-R113 PolarHBondContact N-O 3.42Å; E66-R113 PolarHBondContact O-N 3.18Å; E66-R113 IonicContact OE2-CZ 2.81Å; E66-R113 VanDerWaalsContact OE2-CZ 3.23Å; E66-R113 IonicContact OE2-NE 3.19Å; E66-R113 PolarHBondContact OE2-NE 3Å; E66-R113 IonicContact OE2-NH2 3.16Å; E66-R113 PolarHBondContact OE2-NH2 2.97Å; W79-R113 HydrophobicContact CD2-CG 4.47Å; W79-R113 VanDerWaalsContact CD2-CZ 3.49Å; W79-R113 HydrophobicContact CE3-CG 3.74Å; W79-R113 HydrophobicContact CH2-CB 4.38Å; W79-R113 HydrophobicContact CH2-CG 4.08Å; W79-R113 HydrophobicContact CZ3-CB 4.08Å; W79-R113 HydrophobicContact CZ3-CG 3.52Å
114P90.1Very high89.2Confident26 Ų2667.6 Ų67.617%0.16935%0.348CS..EExtended strand (participates in β ladder)trans-56.8145.7166.4-20.232.2000110.7V55 K57 N116V55-P114 HydrophobicContact CG1-CG 4.46Å; K57-P114 HydrophobicContact CB-CB 4.22Å; K57-P114 HydrophobicContact CB-CG 3.61Å; K57-P114 HydrophobicContact CD-CB 4.41Å; P114-N116 PolarHBondContact O-N 2.84Å
115V90.6Very high89.3Confident55 Ų5566.7 Ų66.733%0.33335%0.346SS..PPolyproline II helixtrans-52.1132.1177.11790000110.5E64 E66 L81 P117E64-V115 HydrophobicContact CB-CG2 3.97Å; E64-V115 WeakPolarHBondContact O-CG2 3.17Å; E66-V115 HydrophobicContact CG-CG2 4.4Å; L81-V115 HydrophobicContact CD1-CG1 4.33Å; L81-V115 HydrophobicContact CD1-CG2 3.7Å; V115-P117 WeakPolarHBondContact O-CD 3.39Å
116N91.1Very high89.3Confident8 Ų865.3 Ų65.34%0.04334%0.339CS..PPolyproline II helixtrans-64.4118.4-175.7178.3-2.7000109.8E7 R48 L49 P51 E66 P114 N118E7-N116 PolarHBondContact OE2-ND2 3.24Å; R48-N116 PolarHBondContact NE-ND2 3.08Å; L49-N116 PolarHBondContact O-ND2 2.96Å; P51-N116 HydrophobicContact CB-CB 4.28Å; E66-N116 PolarHBondContact OE1-N 3.24Å; E66-N116 VanDerWaalsContact OE1-N 3.15Å; P114-N116 PolarHBondContact O-N 2.84Å; N116-N118 PolarHBondContact O-N 3.15Å; N116-N118 WeakPolarHBondContact OD1-CB 3.19Å; N116-N118 PolarHBondContact OD1-N 3.31Å; N116-N118 PolarHBondContact OD1-ND2 3.29Å
117P87.9Confident89.2Confident88 Ų8861.8 Ų61.857%0.57132%0.32SS*.  trans-73.3-10.4-17531-37000113.4V115 K119V115-P117 WeakPolarHBondContact O-CD 3.39Å; P117-K119 PolarHBondContact O-N 2.91Å
118N89.6Confident89Confident49 Ų4965.6 Ų65.626%0.26234%0.336SS..PPolyproline II helixtrans-73.5120.9179.5-65-35.9000110.7L49 P50 N116L49-N118 HydrophobicContact CB-CB 4.28Å; L49-N118 WeakPolarHBondContact O-CB 3.45Å; L49-N118 PolarHBondContact O-ND2 3.46Å; P50-N118 PolarHBondContact O-ND2 3.04Å; N116-N118 PolarHBondContact O-N 3.15Å; N116-N118 WeakPolarHBondContact OD1-CB 3.19Å; N116-N118 PolarHBondContact OD1-N 3.31Å; N116-N118 PolarHBondContact OD1-ND2 3.29Å
119K89.4Confident89Confident185 Ų18564.5 Ų64.580%0.80433%0.33SS*.PPolyproline II helixtrans-65.1165.6169.2-62.7-176.9179.6-178.30110.6P117P117-K119 PolarHBondContact O-N 2.91Å
120A90.1Very high89.3Confident50 Ų5062.5 Ų62.541%0.41333%0.328SS..BIsolated β-bridgetrans-52.5145.916800000111S45 V47S45-A120 WeakPolarHBondContact O-CB 3.22Å; V47-A120 CarbonylContact O-C 3.59Å; V47-A120 VanDerWaalsContact O-CA 3.29Å; V47-A120 WeakPolarHBondContact O-CA 3.47Å
121V91.2Very high89.6Confident9 Ų955.2 Ų55.26%0.05530%0.296CS..PPolyproline II helixtrans-71.3170.7178.6-62.70000111L28 F44 V47 L49 F126L28-V121 HydrophobicContact CD1-CG2 4.16Å; F44-V121 HydrophobicContact CB-CG2 4.04Å; F44-V121 WeakPolarHBondContact CB-O 3.49Å; F44-V121 HydrophobicContact CD1-CG2 4.06Å; F44-V121 WeakPolarHBondContact O-CG2 3.44Å; V47-V121 HydrophobicContact CB-CG2 3.88Å; V47-V121 HydrophobicContact CG1-CG2 4.14Å; V47-V121 WeakPolarHBondContact O-CG2 3.31Å; V47-V121 PolarHBondContact O-N 2.87Å; L49-V121 HydrophobicContact CG-CG1 4.35Å; V121-F126 HydrophobicContact CB-CE2 3.95Å; V121-F126 HydrophobicContact CG1-CE2 3.8Å; V121-F126 HydrophobicContact CG1-CZ 4.02Å; V121-F126 HydrophobicContact CG2-CE2 3.93Å
122T88.6Confident89.8Confident75 Ų7555.8 Ų55.846%0.4631%0.311SS..  trans-134.1169.8178.566.60000109.8N124 S125T122-N124 PolarHBondContact O-N 3.11Å; T122-N124 PolarHBondContact OG1-N 3.26Å; T122-S125 PolarHBondContact N-OG 2.82Å; T122-S125 VanDerWaalsContact O-CB 3.3Å; T122-S125 WeakPolarHBondContact O-CB 3.29Å; T122-S125 PolarHBondContact O-N 3.1Å; T122-S125 PolarHBondContact O-OG 2.89Å; T122-S125 PolarHBondContact OG1-N 3.26Å; T122-S125 PolarHBondContact OG1-OG 3.29Å
123K84.4Confident90.1Very high98 Ų9855.4 Ų55.443%0.42631%0.31SS..THydrogen-bonded Turntrans-53.3-25.8171.3-167.7167.8-170.2145.20113.6D25 D26 F44D25-K123 WeakPolarHBondContact O-CD 3.34Å; D25-K123 WeakPolarHBondContact O-CE 3.22Å; D25-K123 PolarHBondContact O-NZ 3.22Å; D25-K123 WeakPolarHBondContact OD1-CE 3.4Å; D25-K123 IonicContact OD1-NZ 2.87Å; D25-K123 PolarHBondContact OD1-NZ 3.26Å; D26-K123 IonicContact OD1-NZ 2.88Å; F44-K123 HydrophobicContact CD2-CB 4.38Å; F44-K123 HydrophobicContact CE2-CB 3.77Å; F44-K123 HydrophobicContact CE2-CG 4.16Å; F44-K123 HydrophobicContact CZ-CB 4.27Å; F44-K123 HydrophobicContact CZ-CG 4.41Å
124N84.9Confident90.3Very high130 Ų13056.3 Ų56.370%0.69532%0.319SS*.THydrogen-bonded Turntrans-941.1178.7-63.2-1.7000113.5T122 H127T122-N124 PolarHBondContact O-N 3.11Å; T122-N124 PolarHBondContact OG1-N 3.26Å; N124-H127 PolarHBondContact O-NE2 3.11Å
125S85.4Confident90.4Very high36 Ų3663 Ų6325%0.25235%0.348SS..SBendtrans-83.7-15.5179.1-59.70000113.3T122T122-S125 PolarHBondContact N-OG 2.82Å; T122-S125 VanDerWaalsContact O-CB 3.3Å; T122-S125 WeakPolarHBondContact O-CB 3.29Å; T122-S125 PolarHBondContact O-N 3.1Å; T122-S125 PolarHBondContact O-OG 2.89Å; T122-S125 PolarHBondContact OG1-N 3.26Å; T122-S125 PolarHBondContact OG1-OG 3.29Å
126F87.9Confident90.5Very high7 Ų764.7 Ų64.73%0.03136%0.355CS..  trans-138.8143.8176.4-55.2-71.1000110.3L4 V6 I23 L28 L49 V121 S172 T173L4-F126 HydrophobicContact CD1-CE1 4.29Å; L4-F126 HydrophobicContact CD2-CD1 3.79Å; L4-F126 HydrophobicContact CD2-CE1 3.73Å; L4-F126 HydrophobicContact CG-CE1 4.18Å; V6-F126 HydrophobicContact CG1-CZ 4.04Å; I23-F126 HydrophobicContact CD1-CB 3.58Å; I23-F126 HydrophobicContact CD1-CG 4.46Å; I23-F126 HydrophobicContact CG1-CB 4.25Å; L28-F126 HydrophobicContact CD1-CD2 4.03Å; L28-F126 HydrophobicContact CD1-CE2 3.66Å; L28-F126 HydrophobicContact CD2-CD2 4.06Å; L28-F126 HydrophobicContact CD2-CE2 4.49Å; L49-F126 HydrophobicContact CD2-CE1 4.23Å; L49-F126 HydrophobicContact CD2-CZ 4.03Å; V121-F126 HydrophobicContact CB-CE2 3.95Å; V121-F126 HydrophobicContact CG1-CE2 3.8Å; V121-F126 HydrophobicContact CG1-CZ 4.02Å; V121-F126 HydrophobicContact CG2-CE2 3.93Å; F126-S172 CarbonylContact C-O 3.57Å; F126-S172 WeakPolarHBondContact CA-O 3.32Å; F126-T173 HydrophobicContact CD1-CG2 3.73Å; F126-T173 HydrophobicContact CE1-CG2 3.69Å
127H88.5Confident90.7Very high40 Ų4064.3 Ų64.319%0.18535%0.353CS..EExtended strand (participates in β ladder)trans-124.3123.4179.9-52.4-78.3000109.3N124 V171 S172 E175 V178N124-H127 PolarHBondContact O-NE2 3.11Å; H127-V171 WeakPolarHBondContact O-CA 3.33Å; H127-S172 PolarHBondContact N-O 2.94Å; H127-S172 PolarHBondContact O-N 2.84Å; H127-E175 VanDerWaalsContact CD2-CA 3.47Å; H127-E175 WeakPolarHBondContact CD2-CA 3.21Å; H127-E175 PolarHBondContact CD2-N 3.34Å; H127-E175 VanDerWaalsContact NE2-CA 3.35Å; H127-E175 WeakPolarHBondContact NE2-CA 3.48Å; H127-E175 PolarHBondContact NE2-N 3.48Å; H127-V178 HydrophobicContact CB-CG2 4.02Å
128K89.4Confident90.9Very high86 Ų8662.4 Ų62.437%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-106.8133.4174.1176.8171.6165.4178.50108.3D22 I23 I170D22-K128 WeakPolarHBondContact OD1-CD 3.34Å; D22-K128 VanDerWaalsContact OD1-CE 3.25Å; D22-K128 WeakPolarHBondContact OD1-CE 3.41Å; D22-K128 IonicContact OD1-NZ 3.92Å; D22-K128 PolarHBondContact OD1-NZ 2.91Å; D22-K128 IonicContact OD2-NZ 2.7Å; D22-K128 PolarHBondContact OD2-NZ 3.23Å; I23-K128 HydrophobicContact CB-CB 4.28Å; I23-K128 HydrophobicContact CB-CD 4.06Å; I23-K128 HydrophobicContact CD1-CB 4.1Å; I23-K128 VanDerWaalsContact O-CD 3.31Å; I23-K128 WeakPolarHBondContact O-CD 3.38Å; I23-K128 PolarHBondContact O-NZ 3.23Å; K128-I170 WeakPolarHBondContact CA-O 3.39Å
129C91.2Very high91.1Very high23 Ų2368 Ų6816%0.15536%0.361CS..EExtended strand (participates in β ladder)trans-145.5148.6171.954.50000109.8I170 V178C129-I170 PolarHBondContact N-O 3.16Å; C129-I170 PolarHBondContact O-N 3.28Å; C129-V178 HydrophobicContact CB-CG1 4.4Å; C129-V178 HydrophobicContact CB-CG2 4.49Å
130S93.4Very high91.1Very high57 Ų5760.2 Ų60.240%0.39933%0.331SS..EExtended strand (participates in β ladder)trans-112.3156.3178.865.40000111.6E167 L168S130-E167 VanDerWaalsContact CB-OE1 3.23Å; S130-E167 WeakPolarHBondContact CB-OE1 3.48Å; S130-E167 WeakPolarHBondContact CB-OE2 3.38Å; S130-E167 PolarHBondContact OG-OE1 3.13Å; S130-L168 CarbonylContact C-O 3.56Å; S130-L168 WeakPolarHBondContact CA-O 3.34Å
131V95.4Very high91.3Very high21 Ų2157.9 Ų57.913%0.12731%0.312CS..EExtended strand (participates in β ladder)trans-133.8121.4171175.80000107.7V133 E167 L168 I170 V181 L189V131-V133 PolarHBondContact O-N 3.2Å; V131-E167 CarbonylContact O-C 3.57Å; V131-E167 WeakPolarHBondContact O-CA 3.46Å; V131-L168 HydrophobicContact CB-CB 4.39Å; V131-L168 PolarHBondContact N-O 3.1Å; V131-L168 PolarHBondContact O-N 2.86Å; V131-I170 HydrophobicContact CB-CD1 4.5Å; V131-I170 HydrophobicContact CG2-CD1 3.9Å; V131-V181 HydrophobicContact CG2-CG1 3.5Å; V131-V181 VanDerWaalsContact CG2-CG1 3.5Å; V131-L189 HydrophobicContact CG1-CD1 4.13Å
132S95.6Very high91.4Very high87 Ų8763.6 Ų63.661%0.60834%0.338SS*.EExtended strand (participates in β ladder)trans-62.5132.9176.9-173.40000111.3
133V96.1Very high91.4Very high4 Ų464.1 Ų64.12%0.02434%0.338CS..  trans-106.5116.4-176.5-178.50000110.5V131 L137 Q138 C141 F161 S166 L168V131-V133 PolarHBondContact O-N 3.2Å; V133-L137 HydrophobicContact CG1-CB 4.02Å; V133-Q138 HydrophobicContact CG1-CG 4.02Å; V133-Q138 PolarHBondContact O-NE2 3.11Å; V133-C141 HydrophobicContact CG1-CB 4.24Å; V133-F161 HydrophobicContact CB-CD2 4.35Å; V133-F161 HydrophobicContact CB-CE2 3.88Å; V133-F161 HydrophobicContact CG1-CE2 4.21Å; V133-F161 HydrophobicContact CG2-CD2 3.92Å; V133-F161 HydrophobicContact CG2-CE2 3.94Å; V133-S166 WeakPolarHBondContact CB-O 3.3Å; V133-S166 PolarHBondContact N-O 2.76Å; V133-L168 HydrophobicContact CG2-CB 3.82Å
134P95.1Very high91.6Very high48 Ų4863.2 Ų63.231%0.31234%0.335SS..  trans-53.2142.1172.9-28.536.5000112.8D136 L137 Q138P134-D136 VanDerWaalsContact CB-OD1 3.28Å; P134-D136 WeakPolarHBondContact CB-OD1 3.45Å; P134-D136 PolarHBondContact O-N 2.96Å; P134-D136 VanDerWaalsContact O-N 3.12Å; P134-L137 HydrophobicContact CG-CD1 4.48Å; P134-L137 PolarHBondContact O-N 2.9Å; P134-Q138 PolarHBondContact O-N 2.72Å
135Q92.4Very high91.8Very high166 Ų16662.9 Ų62.978%0.77633%0.334SS*.G310 helixtrans-53.9-37.5-172.1-167.2179.113.400113.6L137 Q138Q135-L137 PolarHBondContact O-N 2.7Å; Q135-Q138 PolarHBondContact O-N 3.37Å
136D92.8Very high92.1Very high92 Ų9262.3 Ų62.349%0.49233%0.331SS..G310 helixtrans-69.1-9.6179.167.1-60.9000114.5P134 R193P134-D136 VanDerWaalsContact CB-OD1 3.28Å; P134-D136 WeakPolarHBondContact CB-OD1 3.45Å; P134-D136 PolarHBondContact O-N 2.96Å; P134-D136 VanDerWaalsContact O-N 3.12Å; D136-R193 IonicContact OD1-CZ 2.93Å; D136-R193 IonicContact OD1-NH2 2.76Å; D136-R193 PolarHBondContact OD1-NH2 3.05Å; D136-R193 IonicContact OD2-CZ 3.28Å; D136-R193 IonicContact OD2-NE 2.82Å; D136-R193 PolarHBondContact OD2-NE 3.35Å; D136-R193 IonicContact OD2-NH2 2.78Å; D136-R193 PolarHBondContact OD2-NH2 3.04Å
137L94.4Very high92.4Very high0 Ų062.1 Ų62.10%033%0.33CS..G310 helixtrans-112.1-7.3179.7-55.7-178.6000113.4V133 P134 Q135 E139 A140 C141 L189 R193 L196V133-L137 HydrophobicContact CG1-CB 4.02Å; P134-L137 HydrophobicContact CG-CD1 4.48Å; P134-L137 PolarHBondContact O-N 2.9Å; Q135-L137 PolarHBondContact O-N 2.7Å; L137-E139 PolarHBondContact O-N 2.93Å; L137-A140 PolarHBondContact O-N 2.78Å; L137-C141 PolarHBondContact O-N 2.82Å; L137-C141 PolarHBondContact O-SG 3.27Å; L137-L189 HydrophobicContact CD1-CB 3.96Å; L137-L189 HydrophobicContact CD1-CD2 3.95Å; L137-L189 WeakPolarHBondContact CD1-O 3.38Å; L137-R193 HydrophobicContact CD1-CB 4.49Å; L137-R193 HydrophobicContact CD2-CB 3.77Å; L137-R193 HydrophobicContact CD2-CG 4.24Å; L137-L196 HydrophobicContact CD2-CD1 3.7Å
138Q93.8Very high92.6Very high48 Ų4867.1 Ų67.122%0.22435%0.351CS..Hα-helixtrans-61-46.6-172.9-68.4-179.4-500112.9V133 P134 Q135 A140 C141 Q142 F161 S166V133-Q138 HydrophobicContact CG1-CG 4.02Å; V133-Q138 PolarHBondContact O-NE2 3.11Å; P134-Q138 PolarHBondContact O-N 2.72Å; Q135-Q138 PolarHBondContact O-N 3.37Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 2.97Å; Q138-C141 PolarHBondContact O-N 2.88Å; Q138-C141 VanDerWaalsContact O-N 3.13Å; Q138-Q142 PolarHBondContact O-N 3.42Å; Q138-F161 HydrophobicContact CB-CE1 4.19Å; Q138-F161 HydrophobicContact CB-CZ 3.77Å; Q138-F161 HydrophobicContact CG-CE2 4.26Å; Q138-F161 HydrophobicContact CG-CZ 3.77Å; Q138-S166 VanDerWaalsContact NE2-CB 3.29Å; Q138-S166 PolarHBondContact NE2-OG 2.81Å
139E92.2Very high92.8Very high166 Ų16669 Ų6978%0.77637%0.366SS*.Hα-helixtrans-57.2-44.1176-174.2-177.7175.800111.7L137 C141 Q142L137-E139 PolarHBondContact O-N 2.93Å; E139-C141 VanDerWaalsContact C-N 3.3Å; E139-C141 PolarHBondContact O-N 2.91Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 2.78Å
140A91.3Very high93Very high21 Ų2168.5 Ų68.517%0.17436%0.361CS..Hα-helixtrans-68-29.7178.400000113.3L137 Q138 L196L137-A140 PolarHBondContact O-N 2.78Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 2.97Å; A140-L196 HydrophobicContact CB-CD1 3.68Å; A140-L196 HydrophobicContact CB-CD2 3.83Å; A140-L196 HydrophobicContact CB-CG 4.17Å
141C93.4Very high93Very high1 Ų168 Ų681%0.00735%0.352CS..Hα-helixtrans-78.5-16177.2-68.90000113.8V133 L137 Q138 E139 N143 H147 F161V133-C141 HydrophobicContact CG1-CB 4.24Å; L137-C141 PolarHBondContact O-N 2.82Å; L137-C141 PolarHBondContact O-SG 3.27Å; Q138-C141 PolarHBondContact O-N 2.88Å; Q138-C141 VanDerWaalsContact O-N 3.13Å; E139-C141 VanDerWaalsContact C-N 3.3Å; E139-C141 PolarHBondContact O-N 2.91Å; C141-N143 PolarHBondContact O-N 3.28Å; C141-H147 WeakPolarHBondContact CA-NE2 3.38Å; C141-H147 PolarHBondContact O-NE2 3.16Å; C141-H147 VanDerWaalsContact O-NE2 3.09Å; C141-F161 HydrophobicContact CB-CB 4.02Å; C141-F161 HydrophobicContact CB-CD1 4.45Å; C141-F161 HydrophobicContact CB-CD2 4Å; C141-F161 HydrophobicContact CB-CG 3.9Å; C141-F161 WeakPolarHBondContact O-CB 3.45Å
142Q92.5Very high92.9Very high129 Ų12975.4 Ų75.460%0.60338%0.382SS*.THydrogen-bonded Turntrans-63.3-27171.7-66174.223.400112.4Q138 E139 E144 F161Q138-Q142 PolarHBondContact O-N 3.42Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 2.78Å; Q142-E144 PolarHBondContact O-N 2.95Å; Q142-F161 HydrophobicContact CG-CD1 3.84Å; Q142-F161 HydrophobicContact CG-CE1 4.13Å
143N90.3Very high92.8Very high87 Ų8773.9 Ų73.947%0.46538%0.375SS..  trans-85.5102179.2-175.3-9.4000111C141 N145 A146C141-N143 PolarHBondContact O-N 3.28Å; N143-N145 PolarHBondContact O-N 3.44Å; N143-N145 WeakPolarHBondContact OD1-CB 3.45Å; N143-N145 PolarHBondContact OD1-N 3.37Å; N143-N145 VanDerWaalsContact OD1-N 3.14Å; N143-N145 PolarHBondContact OD1-ND2 2.97Å; N143-A146 WeakPolarHBondContact O-CB 3.38Å; N143-A146 PolarHBondContact O-N 2.97Å
144E87.4Confident92.7Very high78 Ų7873.7 Ų73.736%0.36437%0.374SS..G310 helixtrans-50.9-30.7179.2-64.9-166.8148.600113.7Q142 A146 H147Q142-E144 PolarHBondContact O-N 2.95Å; E144-A146 PolarHBondContact O-N 3.46Å; E144-H147 PolarHBondContact O-N 3.38Å
145N89.6Confident92.5Very high124 Ų12472.5 Ų72.566%0.66337%0.37SS*.G310 helixtrans-65.5-24.3178-60.3-79000113.1N143 H147 K148N143-N145 PolarHBondContact O-N 3.44Å; N143-N145 WeakPolarHBondContact OD1-CB 3.45Å; N143-N145 PolarHBondContact OD1-N 3.37Å; N143-N145 VanDerWaalsContact OD1-N 3.14Å; N143-N145 PolarHBondContact OD1-ND2 2.97Å; N145-H147 PolarHBondContact O-N 3.05Å; N145-K148 PolarHBondContact O-N 3.43Å
146A91.3Very high92.4Very high23 Ų2365.1 Ų65.119%0.1934%0.337CS..G310 helixtrans-64.8-15.7173.600000112.5N143 E144 H188 L192N143-A146 WeakPolarHBondContact O-CB 3.38Å; N143-A146 PolarHBondContact O-N 2.97Å; E144-A146 PolarHBondContact O-N 3.46Å; A146-H188 PolarHBondContact O-CE1 3.48Å; A146-L192 HydrophobicContact CB-CD2 3.98Å
147H93.9Very high92.2Very high3 Ų361.9 Ų61.91%0.01432%0.321CS..G310 helixtrans-109.62.9-176.8-52-34000113.9C141 E144 N145 D149 F150 K151 V159 L168 H188C141-H147 WeakPolarHBondContact CA-NE2 3.38Å; C141-H147 PolarHBondContact O-NE2 3.16Å; C141-H147 VanDerWaalsContact O-NE2 3.09Å; E144-H147 PolarHBondContact O-N 3.38Å; N145-H147 PolarHBondContact O-N 3.05Å; H147-D149 PolarHBondContact O-N 3.16Å; H147-F150 PolarHBondContact O-N 3.04Å; H147-K151 WeakPolarHBondContact O-CB 3.43Å; H147-K151 PolarHBondContact O-N 3.18Å; H147-V159 HydrophobicContact CB-CB 4.2Å; H147-V159 HydrophobicContact CB-CG1 3.69Å; H147-L168 WeakPolarHBondContact NE2-CD1 3.35Å; H147-H188 AromaticContact CE1-NE2 3.82Å; H147-H188 AromaticContact CG-NE2 3.92Å; H147-H188 AromaticContact ND1-CE1 3.5Å; H147-H188 AromaticContact ND1-NE2 3.06Å; H147-H188 PolarHBondContact ND1-NE2 2.8Å
148K93.2Very high91.9Very high145 Ų14565 Ų6563%0.6333%0.334SS*.Hα-helixtrans-53.8-48.3-174.5-175.9179.8178.8-178.70113.3N145 K152N145-K148 PolarHBondContact O-N 3.43Å; K148-K152 PolarHBondContact O-N 3.03Å; K148-K152 VanDerWaalsContact O-N 3.16Å
149D93.1Very high91.8Very high126 Ų12663.1 Ų63.167%0.67433%0.325SS*.Hα-helixtrans-76.1-33.2-177.1-56.3-51000111.9H147 K152 A153H147-D149 PolarHBondContact O-N 3.16Å; D149-K152 PolarHBondContact O-N 3.37Å; D149-A153 WeakPolarHBondContact O-CB 3.47Å; D149-A153 PolarHBondContact O-N 3.42Å
150F95.4Very high91.8Very high13 Ų1356 Ų566%0.05729%0.294CS..Hα-helixtrans-64.4-48.3171.9179.2-111.5000111.7H147 K152 A153 V154 V159 L168 I170 V181 L184 H188H147-F150 PolarHBondContact O-N 3.04Å; F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 3.04Å; F150-A153 PolarHBondContact O-N 2.98Å; F150-A153 VanDerWaalsContact O-N 3.12Å; F150-V154 HydrophobicContact CD2-CG1 4Å; F150-V154 HydrophobicContact CE1-CG1 4.43Å; F150-V154 HydrophobicContact CE2-CG1 3.64Å; F150-V154 HydrophobicContact CZ-CG1 3.88Å; F150-V154 WeakPolarHBondContact O-CG2 3.5Å; F150-V154 PolarHBondContact O-N 3.41Å; F150-V159 HydrophobicContact CD1-CG1 4.31Å; F150-V159 HydrophobicContact CD1-CG2 4.46Å; F150-L168 HydrophobicContact CD1-CD2 4.45Å; F150-L168 HydrophobicContact CE1-CD2 4.11Å; F150-I170 HydrophobicContact CE1-CD1 4.39Å; F150-I170 HydrophobicContact CE1-CG1 4.16Å; F150-V181 HydrophobicContact CZ-CG2 4.38Å; F150-L184 HydrophobicContact CD2-CB 4.33Å; F150-L184 HydrophobicContact CE2-CB 3.83Å; F150-H188 AromaticContact CD1-CD2 3.64Å; F150-H188 AromaticContact CD1-NE2 3.88Å; F150-H188 HydrophobicContact CD2-CB 3.58Å; F150-H188 AromaticContact CD2-CD2 3.9Å; F150-H188 AromaticContact CD2-CG 3.65Å; F150-H188 HydrophobicContact CE2-CB 3.87Å; F150-H188 HydrophobicContact CG-CB 4.11Å; F150-H188 AromaticContact CG-CD2 3.56Å; F150-H188 AromaticContact CG-CG 3.63Å; F150-H188 AromaticContact CG-NE2 3.89Å
151K93.8Very high91.9Very high47 Ų4756.3 Ų56.320%0.20429%0.291CS..Hα-helixtrans-49.6-49172.2174.8-176.8162.3173.90110.5E2 H147 G155 A156 C157 V159E2-K151 IonicContact OE2-NZ 3.74Å; H147-K151 WeakPolarHBondContact O-CB 3.43Å; H147-K151 PolarHBondContact O-N 3.18Å; K151-G155 PolarHBondContact O-N 3.05Å; K151-A156 WeakPolarHBondContact CE-O 3.45Å; K151-A156 HydrophobicContact CG-CB 4.28Å; K151-A156 WeakPolarHBondContact CG-O 3.39Å; K151-A156 PolarHBondContact O-N 3.49Å; K151-C157 WeakPolarHBondContact CE-O 3.29Å; K151-C157 PolarHBondContact NZ-O 3.33Å; K151-V159 HydrophobicContact CB-CB 4.42Å; K151-V159 HydrophobicContact CB-CG2 3.78Å; K151-V159 HydrophobicContact CG-CG2 4.21Å
152K93.4Very high91.7Very high175 Ų17557.7 Ų57.776%0.76130%0.3SS*.Hα-helixtrans-63.8-45.2178.7-171.2-179.4179.3-176.50112.3K148 D149 F150 G155K148-K152 PolarHBondContact O-N 3.03Å; K148-K152 VanDerWaalsContact O-N 3.16Å; D149-K152 PolarHBondContact O-N 3.37Å; F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 3.04Å; K152-G155 PolarHBondContact O-N 3.14Å
153A93.4Very high91.6Very high56 Ų5655.6 Ų55.646%0.46330%0.298SS..Hα-helixtrans-66.6-42-178.400000113.2D149 F150 G155 L184D149-A153 WeakPolarHBondContact O-CB 3.47Å; D149-A153 PolarHBondContact O-N 3.42Å; F150-A153 PolarHBondContact O-N 2.98Å; F150-A153 VanDerWaalsContact O-N 3.12Å; A153-G155 VanDerWaalsContact C-N 3.29Å; A153-G155 PolarHBondContact O-N 3.19Å; A153-L184 HydrophobicContact CB-CD1 4.07Å
154V94.6Very high91.6Very high0 Ų060.4 Ų60.40%032%0.318CS..Hα-helixtrans-78.7-13.5176.6-52.20000112.9F150 A156 I170 T177 R180 V181 L184F150-V154 HydrophobicContact CD2-CG1 4Å; F150-V154 HydrophobicContact CE1-CG1 4.43Å; F150-V154 HydrophobicContact CE2-CG1 3.64Å; F150-V154 HydrophobicContact CZ-CG1 3.88Å; F150-V154 WeakPolarHBondContact O-CG2 3.5Å; F150-V154 PolarHBondContact O-N 3.41Å; V154-A156 HydrophobicContact CG2-CB 3.61Å; V154-I170 HydrophobicContact CG2-CG2 4.34Å; V154-T177 HydrophobicContact CB-CG2 4.07Å; V154-T177 HydrophobicContact CG2-CG2 3.88Å; V154-T177 WeakPolarHBondContact O-CA 3.46Å; V154-T177 WeakPolarHBondContact O-CB 3.4Å; V154-T177 PolarHBondContact O-OG1 3.34Å; V154-R180 HydrophobicContact CB-CB 4.05Å; V154-R180 HydrophobicContact CG1-CB 4.21Å; V154-R180 WeakPolarHBondContact O-CD 3.3Å; V154-V181 HydrophobicContact CB-CG2 3.97Å; V154-V181 HydrophobicContact CG1-CG2 3.9Å; V154-V181 HydrophobicContact CG2-CG2 4.05Å; V154-L184 HydrophobicContact CG1-CB 4.43Å; V154-L184 HydrophobicContact CG1-CD1 4.07Å
155G90.5Very high91.7Very high23 Ų2359.5 Ų59.524%0.23732%0.32CS..THydrogen-bonded Turntrans72.934.2-178.200000113.5K151 K152 A153 S172 N174 T177K151-G155 PolarHBondContact O-N 3.05Å; K152-G155 PolarHBondContact O-N 3.14Å; A153-G155 VanDerWaalsContact C-N 3.29Å; A153-G155 PolarHBondContact O-N 3.19Å; G155-S172 PolarHBondContact O-OG 2.84Å; G155-S172 VanDerWaalsContact O-OG 3.05Å; G155-N174 PolarHBondContact O-ND2 3.42Å; G155-T177 PolarHBondContact O-OG1 3.41Å
156A91.2Very high91.9Very high10 Ų1055.2 Ų55.28%0.08330%0.3CS..  trans-86.1150-178.200000112.9K151 V154 V159 I170 T177K151-A156 WeakPolarHBondContact CE-O 3.45Å; K151-A156 HydrophobicContact CG-CB 4.28Å; K151-A156 WeakPolarHBondContact CG-O 3.39Å; K151-A156 PolarHBondContact O-N 3.49Å; V154-A156 HydrophobicContact CG2-CB 3.61Å; A156-V159 HydrophobicContact CB-CG2 4.03Å; A156-I170 HydrophobicContact CB-CG2 3.54Å; A156-T177 HydrophobicContact CB-CG2 4.16Å
157C88.4Confident92Very high24 Ų2456.7 Ų56.716%0.16230%0.303CS..SBendtrans-78.4-38.1173.1-56.50000111.4L4 K151 V171L4-C157 HydrophobicContact CB-CB 4.28Å; L4-C157 HydrophobicContact CD1-CB 4.1Å; L4-C157 HydrophobicContact CD2-CB 3.97Å; L4-C157 HydrophobicContact CG-CB 4.36Å; K151-C157 WeakPolarHBondContact CE-O 3.29Å; K151-C157 PolarHBondContact NZ-O 3.33Å; C157-V171 WeakPolarHBondContact CA-O 3.37Å; C157-V171 PolarHBondContact N-O 2.99Å
158R87.1Confident92Very high67 Ų6756.7 Ų56.725%0.25330%0.303SS..EExtended strand (participates in β ladder)trans-143.7145.9177.3-169.7176.6-179.1-149.8-2.4111K21 V171K21-R158 PolarHBondContact O-NH1 3.48Å; R158-V171 HydrophobicContact CB-CB 4.34Å; R158-V171 PolarHBondContact N-O 2.9Å; R158-V171 PolarHBondContact O-N 3.38Å
159V91.9Very high92Very high8 Ų851.7 Ų51.75%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-137.8119.5170.4177.10000107.1H147 F150 K151 A156 L168 L169 I170H147-V159 HydrophobicContact CB-CB 4.2Å; H147-V159 HydrophobicContact CB-CG1 3.69Å; F150-V159 HydrophobicContact CD1-CG1 4.31Å; F150-V159 HydrophobicContact CD1-CG2 4.46Å; K151-V159 HydrophobicContact CB-CB 4.42Å; K151-V159 HydrophobicContact CB-CG2 3.78Å; K151-V159 HydrophobicContact CG-CG2 4.21Å; A156-V159 HydrophobicContact CB-CG2 4.03Å; V159-L168 HydrophobicContact CG1-CD1 3.76Å; V159-L168 HydrophobicContact CG1-CD2 3.82Å; V159-L168 HydrophobicContact CG1-CG 3.79Å; V159-L169 WeakPolarHBondContact CA-O 3.49Å; V159-I170 HydrophobicContact CG1-CG1 4.18Å; V159-I170 HydrophobicContact CG2-CB 4.47Å; V159-I170 HydrophobicContact CG2-CG1 3.98Å; V159-I170 HydrophobicContact CG2-CG2 4.09Å
160S91.3Very high92Very high17 Ų1745.7 Ų45.712%0.11925%0.251CS..EExtended strand (participates in β ladder)trans-148.8137.8-173.651.50000111.3L169S160-L169 PolarHBondContact N-O 3.4Å; S160-L169 PolarHBondContact O-N 2.89Å
161F93.8Very high91.7Very high26 Ų2645.7 Ų45.711%0.11425%0.252CS..EExtended strand (participates in β ladder)trans-81.8137178.7176.6-114.8000111.9V133 Q138 C141 Q142 P163 E167 L168V133-F161 HydrophobicContact CB-CD2 4.35Å; V133-F161 HydrophobicContact CB-CE2 3.88Å; V133-F161 HydrophobicContact CG1-CE2 4.21Å; V133-F161 HydrophobicContact CG2-CD2 3.92Å; V133-F161 HydrophobicContact CG2-CE2 3.94Å; Q138-F161 HydrophobicContact CB-CE1 4.19Å; Q138-F161 HydrophobicContact CB-CZ 3.77Å; Q138-F161 HydrophobicContact CG-CE2 4.26Å; Q138-F161 HydrophobicContact CG-CZ 3.77Å; C141-F161 HydrophobicContact CB-CB 4.02Å; C141-F161 HydrophobicContact CB-CD1 4.45Å; C141-F161 HydrophobicContact CB-CD2 4Å; C141-F161 HydrophobicContact CB-CG 3.9Å; C141-F161 WeakPolarHBondContact O-CB 3.45Å; Q142-F161 HydrophobicContact CG-CD1 3.84Å; Q142-F161 HydrophobicContact CG-CE1 4.13Å; F161-P163 HydrophobicContact CD1-CG 4.2Å; F161-P163 HydrophobicContact CE1-CB 4.19Å; F161-P163 HydrophobicContact CE1-CG 4.06Å; F161-E167 WeakPolarHBondContact CD2-O 3.15Å; F161-L168 HydrophobicContact CB-CD1 4.23Å
162C90.4Very high91.5Very high30 Ų3043.4 Ų43.420%0.20324%0.242CC..EExtended strand (participates in β ladder)trans-103.8110.3171.4-176.50000109.2E164 S166 E167 L169C162-E164 VanDerWaalsContact C-N 3.28Å; C162-E164 PolarHBondContact O-N 2.91Å; C162-S166 WeakPolarHBondContact O-CA 3.22Å; C162-S166 PolarHBondContact O-N 2.95Å; C162-E167 PolarHBondContact N-O 2.72Å; C162-E167 PolarHBondContact O-N 3.31Å; C162-L169 HydrophobicContact CB-CD1 4.05Å; C162-L169 HydrophobicContact CB-CG 4.31Å
163P89.7Confident91.3Very high85 Ų8537.7 Ų37.755%0.55222%0.221SC*.THydrogen-bonded Turntrans-62.7-33.6178.3-23.934.9000113.4F161 S166F161-P163 HydrophobicContact CD1-CG 4.2Å; F161-P163 HydrophobicContact CE1-CB 4.19Å; F161-P163 HydrophobicContact CE1-CG 4.06Å; P163-S166 PolarHBondContact O-N 2.78Å
164E89.7Confident91Very high189 Ų18938.6 Ų38.688%0.88322%0.218SC*.THydrogen-bonded Turntrans-69.8-44.6-174.2-61.3179.9-179.900112.7C162C162-E164 VanDerWaalsContact C-N 3.28Å; C162-E164 PolarHBondContact O-N 2.91Å
165S90Very high90.8Very high58 Ų5844 Ų4441%0.40624%0.244SC..THydrogen-bonded Turntrans-87.6-10.3174.168.10000113.6E167S165-E167 PolarHBondContact O-N 3.02Å; S165-E167 WeakPolarHBondContact OG-CB 3.29Å; S165-E167 PolarHBondContact OG-N 3.27Å; S165-E167 PolarHBondContact OG-OE2 2.74Å
166S93.5Very high90.8Very high35 Ų3545.1 Ų45.125%0.24525%0.248CC..THydrogen-bonded Turntrans56.733.5-169.2-66.50000113.5V133 Q138 C162 P163V133-S166 WeakPolarHBondContact CB-O 3.3Å; V133-S166 PolarHBondContact N-O 2.76Å; Q138-S166 VanDerWaalsContact NE2-CB 3.29Å; Q138-S166 PolarHBondContact NE2-OG 2.81Å; C162-S166 WeakPolarHBondContact O-CA 3.22Å; C162-S166 PolarHBondContact O-N 2.95Å; P163-S166 PolarHBondContact O-N 2.78Å
167E94.8Very high90.9Very high54 Ų5444.7 Ų44.725%0.25224%0.244SC..EExtended strand (participates in β ladder)trans-115.5149.8179.3-61.3-175.6120.600113S130 V131 F161 C162 S165S130-E167 VanDerWaalsContact CB-OE1 3.23Å; S130-E167 WeakPolarHBondContact CB-OE1 3.48Å; S130-E167 WeakPolarHBondContact CB-OE2 3.38Å; S130-E167 PolarHBondContact OG-OE1 3.13Å; V131-E167 CarbonylContact O-C 3.57Å; V131-E167 WeakPolarHBondContact O-CA 3.46Å; F161-E167 WeakPolarHBondContact CD2-O 3.15Å; C162-E167 PolarHBondContact N-O 2.72Å; C162-E167 PolarHBondContact O-N 3.31Å; S165-E167 PolarHBondContact O-N 3.02Å; S165-E167 WeakPolarHBondContact OG-CB 3.29Å; S165-E167 PolarHBondContact OG-N 3.27Å; S165-E167 PolarHBondContact OG-OE2 2.74Å
168L93.9Very high91.1Very high2 Ų246.4 Ų46.41%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-86.6116164.2-168.967.6000108.4S130 V131 V133 H147 F150 V159 F161 I170S130-L168 CarbonylContact C-O 3.56Å; S130-L168 WeakPolarHBondContact CA-O 3.34Å; V131-L168 HydrophobicContact CB-CB 4.39Å; V131-L168 PolarHBondContact N-O 3.1Å; V131-L168 PolarHBondContact O-N 2.86Å; V133-L168 HydrophobicContact CG2-CB 3.82Å; H147-L168 WeakPolarHBondContact NE2-CD1 3.35Å; F150-L168 HydrophobicContact CD1-CD2 4.45Å; F150-L168 HydrophobicContact CE1-CD2 4.11Å; V159-L168 HydrophobicContact CG1-CD1 3.76Å; V159-L168 HydrophobicContact CG1-CD2 3.82Å; V159-L168 HydrophobicContact CG1-CG 3.79Å; F161-L168 HydrophobicContact CB-CD1 4.23Å; L168-I170 HydrophobicContact CD2-CD1 4.42Å; L168-I170 HydrophobicContact CG-CD1 4.26Å; L168-I170 WeakPolarHBondContact O-CD1 3.47Å
169L92.1Very high91.4Very high40 Ų4049.8 Ų49.821%0.20927%0.271CS..EExtended strand (participates in β ladder)trans-90.2128.4177-61.5176.1000109.9V159 S160 C162V159-L169 WeakPolarHBondContact CA-O 3.49Å; S160-L169 PolarHBondContact N-O 3.4Å; S160-L169 PolarHBondContact O-N 2.89Å; C162-L169 HydrophobicContact CB-CD1 4.05Å; C162-L169 HydrophobicContact CB-CG 4.31Å
170I92.6Very high91.6Very high1 Ų154.6 Ų54.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-119.9126.3178-58.297.7000109.5K128 C129 V131 F150 V154 A156 V159 L168 T177 V181K128-I170 WeakPolarHBondContact CA-O 3.39Å; C129-I170 PolarHBondContact N-O 3.16Å; C129-I170 PolarHBondContact O-N 3.28Å; V131-I170 HydrophobicContact CB-CD1 4.5Å; V131-I170 HydrophobicContact CG2-CD1 3.9Å; F150-I170 HydrophobicContact CE1-CD1 4.39Å; F150-I170 HydrophobicContact CE1-CG1 4.16Å; V154-I170 HydrophobicContact CG2-CG2 4.34Å; A156-I170 HydrophobicContact CB-CG2 3.54Å; V159-I170 HydrophobicContact CG1-CG1 4.18Å; V159-I170 HydrophobicContact CG2-CB 4.47Å; V159-I170 HydrophobicContact CG2-CG1 3.98Å; V159-I170 HydrophobicContact CG2-CG2 4.09Å; L168-I170 HydrophobicContact CD2-CD1 4.42Å; L168-I170 HydrophobicContact CG-CD1 4.26Å; L168-I170 WeakPolarHBondContact O-CD1 3.47Å; I170-T177 HydrophobicContact CG2-CG2 4.01Å; I170-V181 HydrophobicContact CB-CG2 4.25Å; I170-V181 HydrophobicContact CD1-CG1 4.07Å; I170-V181 HydrophobicContact CD1-CG2 4.42Å; I170-V181 HydrophobicContact CG1-CG2 4.26Å; I170-V181 HydrophobicContact CG2-CG2 3.88Å
171V89.7Confident91.8Very high12 Ų1254 Ų547%0.07328%0.284CS..EExtended strand (participates in β ladder)trans-121.4132.1-179.8171.70000110.1L4 I23 H127 C157 R158L4-V171 HydrophobicContact CD2-CG1 3.96Å; I23-V171 HydrophobicContact CD1-CB 4.42Å; I23-V171 HydrophobicContact CD1-CG1 3.58Å; I23-V171 HydrophobicContact CD1-CG2 4.1Å; H127-V171 WeakPolarHBondContact O-CA 3.33Å; C157-V171 WeakPolarHBondContact CA-O 3.37Å; C157-V171 PolarHBondContact N-O 2.99Å; R158-V171 HydrophobicContact CB-CB 4.34Å; R158-V171 PolarHBondContact N-O 2.9Å; R158-V171 PolarHBondContact O-N 3.38Å
172S90.4Very high91.9Very high0 Ų057.4 Ų57.40%031%0.311CS..EExtended strand (participates in β ladder)trans-147.2153.7-177.4-170.20000112.5F126 H127 G155 N174 T177F126-S172 CarbonylContact C-O 3.57Å; F126-S172 WeakPolarHBondContact CA-O 3.32Å; H127-S172 PolarHBondContact N-O 2.94Å; H127-S172 PolarHBondContact O-N 2.84Å; G155-S172 PolarHBondContact O-OG 2.84Å; G155-S172 VanDerWaalsContact O-OG 3.05Å; S172-N174 VanDerWaalsContact C-N 3.32Å; S172-N174 PolarHBondContact OG-N 2.9Å; S172-T177 WeakPolarHBondContact CB-OG1 3.34Å; S172-T177 WeakPolarHBondContact OG-CB 3.39Å; S172-T177 PolarHBondContact OG-OG1 2.9Å
173T88.1Confident92Very high54 Ų5462.5 Ų62.533%0.33134%0.335SS..SBendtrans-84.4-4.916449.20000113.1L4 F126L4-T173 HydrophobicContact CD1-CG2 4.26Å; F126-T173 HydrophobicContact CD1-CG2 3.73Å; F126-T173 HydrophobicContact CE1-CG2 3.69Å
174N88.1Confident92.3Very high75 Ų7560.1 Ų60.140%0.40132%0.317SS..  trans-106.6118.9-175.5-60.5-73.1000111.9G155 S172 S176 T177G155-N174 PolarHBondContact O-ND2 3.42Å; S172-N174 VanDerWaalsContact C-N 3.32Å; S172-N174 PolarHBondContact OG-N 2.9Å; N174-S176 PolarHBondContact O-N 3.21Å; N174-T177 VanDerWaalsContact O-CB 3.25Å; N174-T177 WeakPolarHBondContact O-CB 3.46Å; N174-T177 PolarHBondContact O-N 3.16Å; N174-T177 PolarHBondContact O-OG1 3.36Å
175E88.8Confident92.6Very high114 Ų11451.7 Ų51.753%0.53328%0.279SS..THydrogen-bonded Turntrans-54.6-39.4175.5-168.3-144.212200111.8H127 T177 V178 K179H127-E175 VanDerWaalsContact CD2-CA 3.47Å; H127-E175 WeakPolarHBondContact CD2-CA 3.21Å; H127-E175 PolarHBondContact CD2-N 3.34Å; H127-E175 VanDerWaalsContact NE2-CA 3.35Å; H127-E175 WeakPolarHBondContact NE2-CA 3.48Å; H127-E175 PolarHBondContact NE2-N 3.48Å; E175-T177 PolarHBondContact O-N 3.31Å; E175-T177 VanDerWaalsContact O-N 3.08Å; E175-V178 PolarHBondContact O-N 3.18Å; E175-V178 VanDerWaalsContact O-N 3.17Å; E175-K179 IonicContact OE1-NZ 2.72Å; E175-K179 PolarHBondContact OE1-NZ 3.49Å
176S91.7Very high92.9Very high46 Ų4653.8 Ų53.832%0.32229%0.286SS..Hα-helixtrans-61.4-18.2178.9710000114.2N174 V178 K179 R180N174-S176 PolarHBondContact O-N 3.21Å; S176-V178 VanDerWaalsContact C-N 3.31Å; S176-V178 PolarHBondContact O-N 3.48Å; S176-K179 PolarHBondContact O-N 2.62Å; S176-R180 WeakPolarHBondContact O-CG 3.26Å; S176-R180 PolarHBondContact O-N 3.16Å; S176-R180 PolarHBondContact OG-NH2 3.17Å
177T93.3Very high93Very high1 Ų157.4 Ų57.41%0.00630%0.3CS..Hα-helixtrans-60.7-38.8174.8-66.80000111.8V154 G155 A156 I170 S172 N174 E175 K179 R180 V181V154-T177 HydrophobicContact CB-CG2 4.07Å; V154-T177 HydrophobicContact CG2-CG2 3.88Å; V154-T177 WeakPolarHBondContact O-CA 3.46Å; V154-T177 WeakPolarHBondContact O-CB 3.4Å; V154-T177 PolarHBondContact O-OG1 3.34Å; G155-T177 PolarHBondContact O-OG1 3.41Å; A156-T177 HydrophobicContact CB-CG2 4.16Å; I170-T177 HydrophobicContact CG2-CG2 4.01Å; S172-T177 WeakPolarHBondContact CB-OG1 3.34Å; S172-T177 WeakPolarHBondContact OG-CB 3.39Å; S172-T177 PolarHBondContact OG-OG1 2.9Å; N174-T177 VanDerWaalsContact O-CB 3.25Å; N174-T177 WeakPolarHBondContact O-CB 3.46Å; N174-T177 PolarHBondContact O-N 3.16Å; N174-T177 PolarHBondContact O-OG1 3.36Å; E175-T177 PolarHBondContact O-N 3.31Å; E175-T177 VanDerWaalsContact O-N 3.08Å; T177-K179 VanDerWaalsContact C-N 3.31Å; T177-K179 PolarHBondContact O-N 2.89Å; T177-R180 CarbonylContact O-C 3.52Å; T177-R180 PolarHBondContact O-N 3.26Å; T177-R180 VanDerWaalsContact O-N 3.14Å; T177-V181 HydrophobicContact CG2-CG2 3.96Å; T177-V181 WeakPolarHBondContact O-CB 3.14Å; T177-V181 WeakPolarHBondContact O-CG2 3.32Å; T177-V181 PolarHBondContact O-N 3.44Å
178V91.9Very high93Very high60 Ų6055.8 Ų55.836%0.36429%0.293SS..Hα-helixtrans-60.5-43.8-179.6-176.30000110.8H127 C129 E175 S176 V181 S182H127-V178 HydrophobicContact CB-CG2 4.02Å; C129-V178 HydrophobicContact CB-CG1 4.4Å; C129-V178 HydrophobicContact CB-CG2 4.49Å; E175-V178 PolarHBondContact O-N 3.18Å; E175-V178 VanDerWaalsContact O-N 3.17Å; S176-V178 VanDerWaalsContact C-N 3.31Å; S176-V178 PolarHBondContact O-N 3.48Å; V178-V181 PolarHBondContact O-N 2.89Å; V178-S182 PolarHBondContact O-N 2.9Å; V178-S182 VanDerWaalsContact O-N 3.13Å
179K93.8Very high93.1Very high139 Ų13956.4 Ų56.460%0.60430%0.296SS*.Hα-helixtrans-67.4-37.1177.3-64.1167.5-177.3154.20111.7E175 S176 T177 L183E175-K179 IonicContact OE1-NZ 2.72Å; E175-K179 PolarHBondContact OE1-NZ 3.49Å; S176-K179 PolarHBondContact O-N 2.62Å; T177-K179 VanDerWaalsContact C-N 3.31Å; T177-K179 PolarHBondContact O-N 2.89Å; K179-L183 PolarHBondContact O-N 2.91Å
180R95.6Very high93.3Very high108 Ų10861.9 Ų61.941%0.40831%0.314SS..Hα-helixtrans-70.5-38175.3-68.1171.8-170.6176.14.9112.9V154 S176 T177 L183 L184V154-R180 HydrophobicContact CB-CB 4.05Å; V154-R180 HydrophobicContact CG1-CB 4.21Å; V154-R180 WeakPolarHBondContact O-CD 3.3Å; S176-R180 WeakPolarHBondContact O-CG 3.26Å; S176-R180 PolarHBondContact O-N 3.16Å; S176-R180 PolarHBondContact OG-NH2 3.17Å; T177-R180 CarbonylContact O-C 3.52Å; T177-R180 PolarHBondContact O-N 3.26Å; T177-R180 VanDerWaalsContact O-N 3.14Å; R180-L183 PolarHBondContact O-N 2.93Å; R180-L184 WeakPolarHBondContact O-CB 3.42Å; R180-L184 WeakPolarHBondContact O-CG 3.45Å; R180-L184 PolarHBondContact O-N 2.95Å
181V96.3Very high93.4Very high6 Ų665.4 Ų65.44%0.03634%0.338CS..Hα-helixtrans-59.9-50.2174.3165.80000109.6V131 F150 V154 I170 T177 V178 L183 L184 S185V131-V181 HydrophobicContact CG2-CG1 3.5Å; V131-V181 VanDerWaalsContact CG2-CG1 3.5Å; F150-V181 HydrophobicContact CZ-CG2 4.38Å; V154-V181 HydrophobicContact CB-CG2 3.97Å; V154-V181 HydrophobicContact CG1-CG2 3.9Å; V154-V181 HydrophobicContact CG2-CG2 4.05Å; I170-V181 HydrophobicContact CB-CG2 4.25Å; I170-V181 HydrophobicContact CD1-CG1 4.07Å; I170-V181 HydrophobicContact CD1-CG2 4.42Å; I170-V181 HydrophobicContact CG1-CG2 4.26Å; I170-V181 HydrophobicContact CG2-CG2 3.88Å; T177-V181 HydrophobicContact CG2-CG2 3.96Å; T177-V181 WeakPolarHBondContact O-CB 3.14Å; T177-V181 WeakPolarHBondContact O-CG2 3.32Å; T177-V181 PolarHBondContact O-N 3.44Å; V178-V181 PolarHBondContact O-N 2.89Å; V181-L183 PolarHBondContact O-N 2.92Å; V181-L183 VanDerWaalsContact O-N 3.14Å; V181-L184 PolarHBondContact O-N 2.83Å; V181-L184 VanDerWaalsContact O-N 3.13Å; V181-S185 WeakPolarHBondContact O-CB 3.28Å; V181-S185 PolarHBondContact O-N 3.13Å; V181-S185 PolarHBondContact O-OG 3.1Å
182S94.7Very high93.6Very high97 Ų9765.3 Ų65.368%0.67834%0.337SS*.Hα-helixtrans-61.7-19.9177.3-1760000114.6V178V178-S182 PolarHBondContact O-N 2.9Å; V178-S182 VanDerWaalsContact O-N 3.13Å
183L94.3Very high93.8Very high136 Ų13670.3 Ų70.371%0.71236%0.356SS*.Hα-helixtrans-90.9-28.4177-175.564.6000112.5K179 R180 V181K179-L183 PolarHBondContact O-N 2.91Å; R180-L183 PolarHBondContact O-N 2.93Å; V181-L183 PolarHBondContact O-N 2.92Å; V181-L183 VanDerWaalsContact O-N 3.14Å
184L96.1Very high94.1Very high36 Ų3671.5 Ų71.519%0.18836%0.364CS..Hα-helixtrans-113.7-13.8-167.8-61176000114F150 A153 V154 R180 V181 D186 M187 H188F150-L184 HydrophobicContact CD2-CB 4.33Å; F150-L184 HydrophobicContact CE2-CB 3.83Å; A153-L184 HydrophobicContact CB-CD1 4.07Å; V154-L184 HydrophobicContact CG1-CB 4.43Å; V154-L184 HydrophobicContact CG1-CD1 4.07Å; R180-L184 WeakPolarHBondContact O-CB 3.42Å; R180-L184 WeakPolarHBondContact O-CG 3.45Å; R180-L184 PolarHBondContact O-N 2.95Å; V181-L184 PolarHBondContact O-N 2.83Å; V181-L184 VanDerWaalsContact O-N 3.13Å; L184-D186 VanDerWaalsContact C-N 3.34Å; L184-D186 PolarHBondContact O-N 2.94Å; L184-M187 HydrophobicContact CD2-CE 3.75Å; L184-M187 PolarHBondContact O-N 2.74Å; L184-H188 WeakPolarHBondContact O-CB 3.37Å; L184-H188 PolarHBondContact O-N 2.74Å
185S95.4Very high94.3Very high11 Ų1173.4 Ų73.48%0.07737%0.368CS..Hα-helixtrans-48.4-53.1178.249.10000112.3V181 M187 H188 L189V181-S185 WeakPolarHBondContact O-CB 3.28Å; V181-S185 PolarHBondContact O-N 3.13Å; V181-S185 PolarHBondContact O-OG 3.1Å; S185-M187 VanDerWaalsContact C-N 3.32Å; S185-M187 PolarHBondContact O-N 2.88Å; S185-H188 WeakPolarHBondContact O-CB 3.21Å; S185-H188 PolarHBondContact O-N 2.87Å; S185-L189 WeakPolarHBondContact O-CG 3.29Å; S185-L189 PolarHBondContact O-N 2.84Å
186D95.1Very high94.3Very high103 Ų10371.1 Ų71.155%0.55136%0.359SS*.Hα-helixtrans-75.3-28.2-170.7-63.824.1000111L184 R190L184-D186 VanDerWaalsContact C-N 3.34Å; L184-D186 PolarHBondContact O-N 2.94Å; D186-R190 WeakPolarHBondContact O-CB 3.41Å; D186-R190 VanDerWaalsContact O-CG 3.23Å; D186-R190 WeakPolarHBondContact O-CG 3.23Å; D186-R190 PolarHBondContact O-N 3.47Å; D186-R190 PolarHBondContact O-NE 3.16Å
187M95.9Very high94.2Very high111 Ų11173.4 Ų73.455%0.54737%0.368SS..Hα-helixtrans-72.9-40.6171.7-169.5177.874.800111L184 S185 S191L184-M187 HydrophobicContact CD2-CE 3.75Å; L184-M187 PolarHBondContact O-N 2.74Å; S185-M187 VanDerWaalsContact C-N 3.32Å; S185-M187 PolarHBondContact O-N 2.88Å; M187-S191 VanDerWaalsContact O-CB 3.28Å; M187-S191 WeakPolarHBondContact O-CB 3.5Å; M187-S191 PolarHBondContact O-N 3.43Å
188H96Very high94.2Very high19 Ų1977.8 Ų77.89%0.08839%0.39CS..Hα-helixtrans-63.4-50.1176.4179.248000112A146 H147 F150 L184 S185 R190 S191 L192A146-H188 PolarHBondContact O-CE1 3.48Å; H147-H188 AromaticContact CE1-NE2 3.82Å; H147-H188 AromaticContact CG-NE2 3.92Å; H147-H188 AromaticContact ND1-CE1 3.5Å; H147-H188 AromaticContact ND1-NE2 3.06Å; H147-H188 PolarHBondContact ND1-NE2 2.8Å; F150-H188 AromaticContact CD1-CD2 3.64Å; F150-H188 AromaticContact CD1-NE2 3.88Å; F150-H188 HydrophobicContact CD2-CB 3.58Å; F150-H188 AromaticContact CD2-CD2 3.9Å; F150-H188 AromaticContact CD2-CG 3.65Å; F150-H188 HydrophobicContact CE2-CB 3.87Å; F150-H188 HydrophobicContact CG-CB 4.11Å; F150-H188 AromaticContact CG-CD2 3.56Å; F150-H188 AromaticContact CG-CG 3.63Å; F150-H188 AromaticContact CG-NE2 3.89Å; L184-H188 WeakPolarHBondContact O-CB 3.37Å; L184-H188 PolarHBondContact O-N 2.74Å; S185-H188 WeakPolarHBondContact O-CB 3.21Å; S185-H188 PolarHBondContact O-N 2.87Å; H188-R190 PolarHBondContact O-N 3.43Å; H188-S191 WeakPolarHBondContact O-CB 3.44Å; H188-S191 PolarHBondContact O-N 3.27Å; H188-S191 VanDerWaalsContact O-N 3.13Å; H188-L192 WeakPolarHBondContact O-CG 3.44Å; H188-L192 PolarHBondContact O-N 2.84Å
189L95.9Very high94Very high16 Ų1680.2 Ų80.28%0.08440%0.399CS..Hα-helixtrans-62.6-39.7177.3-67174.1000112.3V131 L137 S185 L192 R193V131-L189 HydrophobicContact CG1-CD1 4.13Å; L137-L189 HydrophobicContact CD1-CB 3.96Å; L137-L189 HydrophobicContact CD1-CD2 3.95Å; L137-L189 WeakPolarHBondContact CD1-O 3.38Å; S185-L189 WeakPolarHBondContact O-CG 3.29Å; S185-L189 PolarHBondContact O-N 2.84Å; L189-L192 PolarHBondContact O-N 3.21Å; L189-R193 PolarHBondContact O-N 3.4Å
190R95Very high93.7Very high155 Ų15576.2 Ų76.259%0.58539%0.389SS*.Hα-helixtrans-64.8-38.1172.3-77.2179.5-68.8158.4-2.8112.6D186 H188 R193 T194D186-R190 WeakPolarHBondContact O-CB 3.41Å; D186-R190 VanDerWaalsContact O-CG 3.23Å; D186-R190 WeakPolarHBondContact O-CG 3.23Å; D186-R190 PolarHBondContact O-N 3.47Å; D186-R190 PolarHBondContact O-NE 3.16Å; H188-R190 PolarHBondContact O-N 3.43Å; R190-R193 PolarHBondContact O-N 2.72Å; R190-T194 WeakPolarHBondContact O-CB 3.3Å; R190-T194 PolarHBondContact O-N 3.16Å; R190-T194 PolarHBondContact O-OG1 3.24Å
191S94.9Very high93.4Very high74 Ų7478.2 Ų78.252%0.51740%0.396SS..Hα-helixtrans-64.2-46.7175.8-1750000111.2M187 H188 R193 T194 K195M187-S191 VanDerWaalsContact O-CB 3.28Å; M187-S191 WeakPolarHBondContact O-CB 3.5Å; M187-S191 PolarHBondContact O-N 3.43Å; H188-S191 WeakPolarHBondContact O-CB 3.44Å; H188-S191 PolarHBondContact O-N 3.27Å; H188-S191 VanDerWaalsContact O-N 3.13Å; S191-R193 PolarHBondContact O-N 2.71Å; S191-T194 PolarHBondContact O-N 2.73Å; S191-K195 WeakPolarHBondContact O-CB 3.38Å; S191-K195 PolarHBondContact O-N 2.91Å
192L94.6Very high93Very high10 Ų1083 Ų835%0.05242%0.422CS..Hα-helixtrans-58.4-48.7174.3-70.4176.4000111.9A146 H188 L189 T194 K195 L196A146-L192 HydrophobicContact CB-CD2 3.98Å; H188-L192 WeakPolarHBondContact O-CG 3.44Å; H188-L192 PolarHBondContact O-N 2.84Å; L189-L192 PolarHBondContact O-N 3.21Å; L192-T194 VanDerWaalsContact C-N 3.3Å; L192-T194 PolarHBondContact O-N 2.76Å; L192-K195 WeakPolarHBondContact O-CB 3.47Å; L192-K195 PolarHBondContact O-N 2.59Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.36Å
193R95Very high92.7Very high105 Ų10583.9 Ų83.940%0.39642%0.415SS..Hα-helixtrans-56.3-43.9176-170.1171.5-77138.3-3.5112.3D136 L137 L189 R190 S191 L196 L197D136-R193 IonicContact OD1-CZ 2.93Å; D136-R193 IonicContact OD1-NH2 2.76Å; D136-R193 PolarHBondContact OD1-NH2 3.05Å; D136-R193 IonicContact OD2-CZ 3.28Å; D136-R193 IonicContact OD2-NE 2.82Å; D136-R193 PolarHBondContact OD2-NE 3.35Å; D136-R193 IonicContact OD2-NH2 2.78Å; D136-R193 PolarHBondContact OD2-NH2 3.04Å; L137-R193 HydrophobicContact CD1-CB 4.49Å; L137-R193 HydrophobicContact CD2-CB 3.77Å; L137-R193 HydrophobicContact CD2-CG 4.24Å; L189-R193 PolarHBondContact O-N 3.4Å; R190-R193 PolarHBondContact O-N 2.72Å; S191-R193 PolarHBondContact O-N 2.71Å; R193-L196 PolarHBondContact O-N 2.79Å; R193-L197 PolarHBondContact O-N 2.78Å; R193-L197 VanDerWaalsContact O-N 3.14Å
194T93.6Very high92.3Very high80 Ų8082.3 Ų82.349%0.49140%0.404SS..Hα-helixtrans-65.3-42.9178.1-54.30000111.6R190 S191 L192 L197 L198R190-T194 WeakPolarHBondContact O-CB 3.3Å; R190-T194 PolarHBondContact O-N 3.16Å; R190-T194 PolarHBondContact O-OG1 3.24Å; S191-T194 PolarHBondContact O-N 2.73Å; L192-T194 VanDerWaalsContact C-N 3.3Å; L192-T194 PolarHBondContact O-N 2.76Å; T194-L197 PolarHBondContact O-N 3.39Å; T194-L198 HydrophobicContact CG2-CD1 4.29Å; T194-L198 WeakPolarHBondContact O-CG 3.21Å; T194-L198 PolarHBondContact O-N 2.7Å
195K91.8Very high91.7Very high114 Ų11483.3 Ų83.350%0.49642%0.417SS..Hα-helixtrans-61.7-43.5177.1-175.6-179.9178.8-179.10111.8S191 L192 L198 M199S191-K195 WeakPolarHBondContact O-CB 3.38Å; S191-K195 PolarHBondContact O-N 2.91Å; L192-K195 WeakPolarHBondContact O-CB 3.47Å; L192-K195 PolarHBondContact O-N 2.59Å; K195-L198 PolarHBondContact O-N 2.76Å; K195-M199 HydrophobicContact CG-SD 4.04Å; K195-M199 WeakPolarHBondContact O-CB 3.32Å; K195-M199 VanDerWaalsContact O-CG 3.32Å; K195-M199 WeakPolarHBondContact O-CG 3.5Å; K195-M199 PolarHBondContact O-N 3.39Å
196L89.3Confident91.1Very high66 Ų6686 Ų8635%0.34643%0.433SS..Hα-helixtrans-61.9-45.7176.7-68.6167.7000111.9L137 A140 L192 R193 L198 M199 S200L137-L196 HydrophobicContact CD2-CD1 3.7Å; A140-L196 HydrophobicContact CB-CD1 3.68Å; A140-L196 HydrophobicContact CB-CD2 3.83Å; A140-L196 HydrophobicContact CB-CG 4.17Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.36Å; R193-L196 PolarHBondContact O-N 2.79Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.39Å; L196-M199 PolarHBondContact O-N 3Å; L196-S200 WeakPolarHBondContact O-CB 3.35Å; L196-S200 PolarHBondContact O-N 2.89Å
197L90.6Very high90.6Very high95 Ų9586.1 Ų86.150%0.49743%0.429SS..Hα-helixtrans-60.2-40.9177.1-179.762.1000112.2R193 T194 R201R193-L197 PolarHBondContact O-N 2.78Å; R193-L197 VanDerWaalsContact O-N 3.14Å; T194-L197 PolarHBondContact O-N 3.39Å; L197-R201 WeakPolarHBondContact O-CG 3.24Å; L197-R201 PolarHBondContact O-N 2.9Å; L197-R201 VanDerWaalsContact O-N 3.14Å
198L91.9Very high89.8Confident92 Ų9287.1 Ų87.148%0.48243%0.432SS..Hα-helixtrans-69.6-40.3175.8-69.4173.2000112.4T194 K195 L196 N202T194-L198 HydrophobicContact CG2-CD1 4.29Å; T194-L198 WeakPolarHBondContact O-CG 3.21Å; T194-L198 PolarHBondContact O-N 2.7Å; K195-L198 PolarHBondContact O-N 2.76Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.39Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 VanDerWaalsContact O-CG 3.23Å; L198-N202 PolarHBondContact O-N 2.9Å
199M87.5Confident88.8Confident111 Ų11191.5 Ų91.555%0.54746%0.456SS..Hα-helixtrans-63.9-41.3176-75178.863.800111.9K195 L196 N202 Q203K195-M199 HydrophobicContact CG-SD 4.04Å; K195-M199 WeakPolarHBondContact O-CB 3.32Å; K195-M199 VanDerWaalsContact O-CG 3.32Å; K195-M199 WeakPolarHBondContact O-CG 3.5Å; K195-M199 PolarHBondContact O-N 3.39Å; L196-M199 PolarHBondContact O-N 3Å; M199-N202 PolarHBondContact O-N 3.12Å; M199-Q203 WeakPolarHBondContact O-CB 3.35Å; M199-Q203 PolarHBondContact O-N 3.12Å
200S87.3Confident87.9Confident55 Ų5596.5 Ų96.539%0.38548%0.479SS..Hα-helixtrans-61.4-51.6175.5177.40000111.7L196 N202 Q203 E204L196-S200 WeakPolarHBondContact O-CB 3.35Å; L196-S200 PolarHBondContact O-N 2.89Å; S200-N202 VanDerWaalsContact C-N 3.32Å; S200-N202 PolarHBondContact O-N 3.01Å; S200-Q203 WeakPolarHBondContact O-CB 3.37Å; S200-Q203 PolarHBondContact O-N 3.36Å; S200-Q203 VanDerWaalsContact O-N 3.08Å; S200-E204 PolarHBondContact O-N 3.22Å
201R89.6Confident86.8Confident151 Ų15193.1 Ų93.157%0.5748%0.475SS*.Hα-helixtrans-59.3-39.6176-74.7179.1174.3-172.8-1.3113.1L197 Q203 E204 A205L197-R201 WeakPolarHBondContact O-CG 3.24Å; L197-R201 PolarHBondContact O-N 2.9Å; L197-R201 VanDerWaalsContact O-N 3.14Å; R201-Q203 VanDerWaalsContact C-N 3.35Å; R201-E204 PolarHBondContact O-N 3.2Å; R201-A205 WeakPolarHBondContact O-CB 3.5Å; R201-A205 PolarHBondContact O-N 3.47Å
202N88.6Confident85.5Confident106 Ų10693 Ų9357%0.56747%0.474SS*.Hα-helixtrans-65.5-38.9175.7-75.3-10.8000111.5L198 M199 S200 E204 A205 T206L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 VanDerWaalsContact O-CG 3.23Å; L198-N202 PolarHBondContact O-N 2.9Å; M199-N202 PolarHBondContact O-N 3.12Å; S200-N202 VanDerWaalsContact C-N 3.32Å; S200-N202 PolarHBondContact O-N 3.01Å; N202-E204 VanDerWaalsContact C-N 3.35Å; N202-A205 PolarHBondContact O-N 3.02Å; N202-T206 WeakPolarHBondContact O-CG2 3.25Å; N202-T206 PolarHBondContact O-N 3.44Å; N202-T206 PolarHBondContact O-OG1 3.44Å
203Q87.4Confident84.2Confident115 Ų115101.3 Ų101.354%0.53751%0.505SS..Hα-helixtrans-68.4-32.5177.3-162.1-171.422.100112.7M199 S200 R201 T206 K207M199-Q203 WeakPolarHBondContact O-CB 3.35Å; M199-Q203 PolarHBondContact O-N 3.12Å; S200-Q203 WeakPolarHBondContact O-CB 3.37Å; S200-Q203 PolarHBondContact O-N 3.36Å; S200-Q203 VanDerWaalsContact O-N 3.08Å; R201-Q203 VanDerWaalsContact C-N 3.35Å; Q203-T206 WeakPolarHBondContact CA-OG1 3.47Å; Q203-T206 PolarHBondContact O-OG1 3Å; Q203-T206 VanDerWaalsContact O-OG1 3.07Å; Q203-K207 WeakPolarHBondContact O-CD 3.46Å; Q203-K207 VanDerWaalsContact O-CG 3.27Å; Q203-K207 WeakPolarHBondContact O-CG 3.47Å; Q203-K207 PolarHBondContact O-N 3.07Å
204E87.2Confident82.6Confident104 Ų104101.8 Ų101.849%0.48651%0.511SS..Hα-helixtrans-66.8-47.9169.9-68.1173.2159.900110.7S200 R201 N202 T206 K207 H208S200-E204 PolarHBondContact O-N 3.22Å; R201-E204 PolarHBondContact O-N 3.2Å; N202-E204 VanDerWaalsContact C-N 3.35Å; E204-T206 VanDerWaalsContact C-N 3.34Å; E204-T206 PolarHBondContact O-N 3.08Å; E204-K207 PolarHBondContact O-N 3.43Å; E204-H208 PolarHBondContact O-CD2 2.9Å; E204-H208 PolarHBondContact O-N 3.21Å
205A82.9Confident81.1Confident56 Ų56101 Ų10146%0.46350%0.504SS..Hα-helixtrans-60.3-38.8177.300000113R201 N202 H208 L209R201-A205 WeakPolarHBondContact O-CB 3.5Å; R201-A205 PolarHBondContact O-N 3.47Å; N202-A205 PolarHBondContact O-N 3.02Å; A205-H208 PolarHBondContact O-N 3.3Å; A205-L209 WeakPolarHBondContact O-CB 3.07Å; A205-L209 PolarHBondContact O-N 3.25Å
206T83.1Confident79.6Confident67 Ų67101.7 Ų101.741%0.41152%0.517SS..Hα-helixtrans-68.2-39.8175.354.20000112.3N202 Q203 E204 H208 L209 E210N202-T206 WeakPolarHBondContact O-CG2 3.25Å; N202-T206 PolarHBondContact O-N 3.44Å; N202-T206 PolarHBondContact O-OG1 3.44Å; Q203-T206 WeakPolarHBondContact CA-OG1 3.47Å; Q203-T206 PolarHBondContact O-OG1 3Å; Q203-T206 VanDerWaalsContact O-OG1 3.07Å; E204-T206 VanDerWaalsContact C-N 3.34Å; E204-T206 PolarHBondContact O-N 3.08Å; T206-H208 VanDerWaalsContact C-N 3.32Å; T206-H208 PolarHBondContact O-N 3.38Å; T206-L209 PolarHBondContact O-N 2.81Å; T206-E210 WeakPolarHBondContact O-CB 3.46Å; T206-E210 VanDerWaalsContact O-CG 3.3Å; T206-E210 WeakPolarHBondContact O-CG 3.45Å; T206-E210 PolarHBondContact O-N 3.44Å
207K84.9Confident78.2Confident106 Ų106103 Ų10346%0.46153%0.532SS..Hα-helixtrans-61.2-40.9174.5-72.7165.6-176.6169.10111.8Q203 E204 T211Q203-K207 WeakPolarHBondContact O-CD 3.46Å; Q203-K207 VanDerWaalsContact O-CG 3.27Å; Q203-K207 WeakPolarHBondContact O-CG 3.47Å; Q203-K207 PolarHBondContact O-N 3.07Å; E204-K207 PolarHBondContact O-N 3.43Å; K207-T211 WeakPolarHBondContact O-CB 3.47Å; K207-T211 PolarHBondContact O-N 3.4Å; K207-T211 PolarHBondContact O-OG1 3.36Å
208H79.7Confident77.2Confident133 Ų13399.3 Ų99.362%0.61651%0.514SS*.Hα-helixtrans-64.1-43.7173.5-72.1-59000111.8E204 A205 T206 T211 S212E204-H208 PolarHBondContact O-CD2 2.9Å; E204-H208 PolarHBondContact O-N 3.21Å; A205-H208 PolarHBondContact O-N 3.3Å; T206-H208 VanDerWaalsContact C-N 3.32Å; T206-H208 PolarHBondContact O-N 3.38Å; H208-T211 PolarHBondContact O-N 2.94Å; H208-S212 PolarHBondContact O-N 3.17Å; H208-S212 PolarHBondContact O-OG 3.3Å
209L74.3Confident76.8Confident111 Ų111100.1 Ų100.158%0.58151%0.514SS*.Hα-helixtrans-62.5-42.7176.5-171.1156.4000112.1A205 T206 S212 R213A205-L209 WeakPolarHBondContact O-CB 3.07Å; A205-L209 PolarHBondContact O-N 3.25Å; T206-L209 PolarHBondContact O-N 2.81Å; L209-S212 PolarHBondContact O-N 3Å; L209-R213 WeakPolarHBondContact O-CB 3.41Å; L209-R213 PolarHBondContact O-N 2.93Å
210E76.7Confident76.8Confident121 Ų121101.3 Ų101.357%0.56552%0.518SS*.Hα-helixtrans-59.7-46.7174.1-74.3164.8173.900111.2T206 S212 R213 Q214T206-E210 WeakPolarHBondContact O-CB 3.46Å; T206-E210 VanDerWaalsContact O-CG 3.3Å; T206-E210 WeakPolarHBondContact O-CG 3.45Å; T206-E210 PolarHBondContact O-N 3.44Å; E210-S212 PolarHBondContact O-N 3.24Å; E210-R213 PolarHBondContact O-N 3.5Å; E210-Q214 PolarHBondContact O-N 2.8Å
211T72.4Confident76.9Confident83 Ų83101.3 Ų101.351%0.50951%0.512SS..Hα-helixtrans-59.9-47.5176.2-51.80000111.5K207 H208 R213 Q214 L215K207-T211 WeakPolarHBondContact O-CB 3.47Å; K207-T211 PolarHBondContact O-N 3.4Å; K207-T211 PolarHBondContact O-OG1 3.36Å; H208-T211 PolarHBondContact O-N 2.94Å; T211-R213 PolarHBondContact O-N 3.44Å; T211-Q214 PolarHBondContact O-N 3.49Å; T211-L215 PolarHBondContact O-N 3.08Å
212S67.3Low77.1Confident71 Ų7199 Ų9950%0.49751%0.508SS..Hα-helixtrans-65.7-36.3176.5-64.50000112.6H208 L209 E210 Q214 L215 V216H208-S212 PolarHBondContact O-N 3.17Å; H208-S212 PolarHBondContact O-OG 3.3Å; L209-S212 PolarHBondContact O-N 3Å; E210-S212 PolarHBondContact O-N 3.24Å; S212-Q214 VanDerWaalsContact C-N 3.34Å; S212-L215 PolarHBondContact O-N 3.36Å; S212-V216 WeakPolarHBondContact O-CG2 3.07Å; S212-V216 PolarHBondContact O-N 3.37Å; S212-V216 VanDerWaalsContact O-N 3.11Å
213R67.9Low77.3Confident185 Ų18594.6 Ų94.670%0.69848%0.484SS*.Hα-helixtrans-65.1-38.7176.3-176.5178-178.6176.90.9111.5L209 E210 T211 L215 V216 S217L209-R213 WeakPolarHBondContact O-CB 3.41Å; L209-R213 PolarHBondContact O-N 2.93Å; E210-R213 PolarHBondContact O-N 3.5Å; T211-R213 PolarHBondContact O-N 3.44Å; R213-L215 VanDerWaalsContact C-N 3.31Å; R213-L215 PolarHBondContact O-N 2.67Å; R213-V216 PolarHBondContact O-N 3.49Å; R213-V216 VanDerWaalsContact O-N 3.16Å; R213-S217 PolarHBondContact O-N 3.35Å; R213-S217 PolarHBondContact O-OG 2.92Å; R213-S217 VanDerWaalsContact O-OG 3.09Å
214Q61.4Low77.6Confident115 Ų11594 Ų9454%0.53749%0.488SS..Hα-helixtrans-62.3-38177.6-165170.32.700111.8E210 T211 S212 S217 S218E210-Q214 PolarHBondContact O-N 2.8Å; T211-Q214 PolarHBondContact O-N 3.49Å; S212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-S217 WeakPolarHBondContact CA-OG 3.19Å; Q214-S217 PolarHBondContact O-N 3.11Å; Q214-S217 PolarHBondContact O-OG 3.4Å; Q214-S218 PolarHBondContact O-N 3.16Å
215L61.7Low77.9Confident63 Ų6389.2 Ų89.233%0.3347%0.466SS..Hα-helixtrans-64.7-45171-65.8170.1000112.1T211 S212 R213 S217 S218 T251 A252T211-L215 PolarHBondContact O-N 3.08Å; S212-L215 PolarHBondContact O-N 3.36Å; R213-L215 VanDerWaalsContact C-N 3.31Å; R213-L215 PolarHBondContact O-N 2.67Å; L215-S217 VanDerWaalsContact C-N 3.28Å; L215-S217 PolarHBondContact O-N 2.93Å; L215-S218 WeakPolarHBondContact O-CB 3.29Å; L215-S218 PolarHBondContact O-N 3.09Å; L215-S218 VanDerWaalsContact O-N 3.08Å; L215-S218 PolarHBondContact O-OG 3.35Å; L215-T251 HydrophobicContact CD2-CG2 3.84Å; L215-A252 HydrophobicContact CD2-CB 4.26Å
216V59.7Low78.3Confident129 Ų12992.1 Ų92.178%0.78247%0.465SS*.Hα-helixtrans-66.8-26.5178.9173.80000112.8S212 R213S212-V216 WeakPolarHBondContact O-CG2 3.07Å; S212-V216 PolarHBondContact O-N 3.37Å; S212-V216 VanDerWaalsContact O-N 3.11Å; R213-V216 PolarHBondContact O-N 3.49Å; R213-V216 VanDerWaalsContact O-N 3.16Å
217S59.6Low78.6Confident93 Ų9393.7 Ų93.765%0.6548%0.476SS*.THydrogen-bonded Turntrans-84.2-3.3172.554.60000114.9R213 Q214 L215R213-S217 PolarHBondContact O-N 3.35Å; R213-S217 PolarHBondContact O-OG 2.92Å; R213-S217 VanDerWaalsContact O-OG 3.09Å; Q214-S217 WeakPolarHBondContact CA-OG 3.19Å; Q214-S217 PolarHBondContact O-N 3.11Å; Q214-S217 PolarHBondContact O-OG 3.4Å; L215-S217 VanDerWaalsContact C-N 3.28Å; L215-S217 PolarHBondContact O-N 2.93Å
218S69.7Low78.8Confident18 Ų1894.4 Ų94.413%0.12649%0.485CS..SBendtrans-81.9153.6-179.875.40000112Q214 L215 Q220 G266Q214-S218 PolarHBondContact O-N 3.16Å; L215-S218 WeakPolarHBondContact O-CB 3.29Å; L215-S218 PolarHBondContact O-N 3.09Å; L215-S218 VanDerWaalsContact O-N 3.08Å; L215-S218 PolarHBondContact O-OG 3.35Å; S218-Q220 PolarHBondContact O-N 2.71Å; S218-G266 WeakPolarHBondContact CB-O 3.46Å
219F83.8Confident79.3Confident109 Ų10988.1 Ų88.148%0.47846%0.456SS..EExtended strand (participates in β ladder)trans-64.8128.6166-68.1-92.6000108.4Y265 G266 E269 V272F219-Y265 CarbonylContact O-C 3.56Å; F219-Y265 WeakPolarHBondContact O-CA 3.45Å; F219-G266 WeakPolarHBondContact CB-O 3.23Å; F219-G266 PolarHBondContact N-O 3.09Å; F219-G266 PolarHBondContact O-N 2.84Å; F219-E269 HydrophobicContact CD1-CB 3.94Å; F219-E269 HydrophobicContact CE1-CB 4.18Å; F219-E269 HydrophobicContact CG-CB 4.31Å; F219-V272 HydrophobicContact CB-CG2 4.12Å; F219-V272 WeakPolarHBondContact O-CG2 3.33Å
220Q88.3Confident80.1Confident136 Ų13684 Ų8464%0.63644%0.435SS*.EExtended strand (participates in β ladder)trans-116.8145.5177.164.2175.3-8.100111.4S218 I264 Y265S218-Q220 PolarHBondContact O-N 2.71Å; Q220-I264 CarbonylContact C-O 3.55Å; Q220-I264 VanDerWaalsContact CA-O 3.26Å; Q220-I264 WeakPolarHBondContact CA-O 3.48Å; Q220-Y265 HydrophobicContact CB-CD1 3.76Å; Q220-Y265 HydrophobicContact CB-CE1 3.7Å
221Q89.4Confident80.6Confident55 Ų5581 Ų8126%0.25744%0.436SS..EExtended strand (participates in β ladder)trans-143.9132.6171.7-163.6158.39300111.7I264 V272 R276Q221-I264 PolarHBondContact N-O 2.86Å; Q221-I264 PolarHBondContact O-N 2.7Å; Q221-V272 HydrophobicContact CB-CG1 3.35Å; Q221-R276 VanDerWaalsContact CG-NH1 3.32Å; Q221-R276 VanDerWaalsContact OE1-NH1 3.12Å
222E92.9Very high81.4Confident104 Ų10480 Ų8049%0.48643%0.427SS..EExtended strand (participates in β ladder)trans-114.6140.3-176-171.7170.8-134.400110.3T261 F262 R263E222-T261 HydrophobicContact CG-CG2 3.53Å; E222-T261 WeakPolarHBondContact OE1-CG2 3.41Å; E222-F262 WeakPolarHBondContact CA-O 3.33Å; E222-R263 HydrophobicContact CB-CG 4.41Å; E222-R263 HydrophobicContact CG-CG 4.05Å; E222-R263 IonicContact OE1-CZ 2.96Å; E222-R263 IonicContact OE1-NE 2.72Å; E222-R263 PolarHBondContact OE1-NE 2.88Å; E222-R263 IonicContact OE1-NH2 3.95Å; E222-R263 PolarHBondContact OE1-NH2 2.86Å
223F93.6Very high82.5Confident12 Ų1276.6 Ų76.65%0.05340%0.403CS..EExtended strand (participates in β ladder)trans-157.1156.1172.362.6-81.2000110.7V225 F262 I264 R276 L279 E280F223-V225 HydrophobicContact CD2-CG2 3.95Å; F223-V225 HydrophobicContact CE2-CG2 3.73Å; F223-F262 HydrophobicContact CD1-CB 4.26Å; F223-F262 HydrophobicContact CD2-CB 4.4Å; F223-F262 HydrophobicContact CD2-CD2 4.5Å; F223-F262 HydrophobicContact CE1-CB 3.66Å; F223-F262 HydrophobicContact CE1-CG 4.48Å; F223-F262 HydrophobicContact CE2-CB 3.83Å; F223-F262 AromaticContact CE2-CD2 3.79Å; F223-F262 HydrophobicContact CE2-CD2 3.79Å; F223-F262 AromaticContact CE2-CG 3.94Å; F223-F262 HydrophobicContact CE2-CG 3.94Å; F223-F262 HydrophobicContact CZ-CB 3.41Å; F223-F262 VanDerWaalsContact CZ-CB 3.41Å; F223-F262 HydrophobicContact CZ-CD1 4.42Å; F223-F262 HydrophobicContact CZ-CD2 4.09Å; F223-F262 AromaticContact CZ-CG 3.75Å; F223-F262 HydrophobicContact CZ-CG 3.75Å; F223-F262 PolarHBondContact N-O 3.06Å; F223-F262 VanDerWaalsContact N-O 3.13Å; F223-F262 PolarHBondContact O-N 2.95Å; F223-I264 HydrophobicContact CE1-CD1 3.72Å; F223-I264 HydrophobicContact CE1-CG1 4.17Å; F223-I264 HydrophobicContact CZ-CD1 4.27Å; F223-R276 HydrophobicContact CD1-CG 3.92Å; F223-R276 HydrophobicContact CE1-CB 4.25Å; F223-R276 HydrophobicContact CE1-CG 3.91Å; F223-R276 HydrophobicContact CG-CG 4.49Å; F223-R276 HydrophobicContact CZ-CG 4.47Å; F223-L279 HydrophobicContact CE2-CB 4.14Å; F223-L279 HydrophobicContact CZ-CB 3.65Å; F223-E280 HydrophobicContact CD2-CB 3.92Å; F223-E280 HydrophobicContact CD2-CG 3.9Å; F223-E280 HydrophobicContact CE2-CB 3.92Å; F223-E280 HydrophobicContact CE2-CG 4.4Å; F223-E280 HydrophobicContact CG-CG 4.41Å
224T92.9Very high83.6Confident102 Ų10269.9 Ų69.963%0.62638%0.381SS*.EExtended strand (participates in β ladder)trans-106.7140.5179.5500000111T261T224-T261 HydrophobicContact CG2-CG2 4.31Å
225V93.8Very high84.9Confident4 Ų465.2 Ų65.22%0.02436%0.363CS..  trans-117133.4173.6176.80000108.2F223 L229 M230 A233 G260 F262 F281F223-V225 HydrophobicContact CD2-CG2 3.95Å; F223-V225 HydrophobicContact CE2-CG2 3.73Å; V225-L229 HydrophobicContact CG1-CB 3.89Å; V225-M230 HydrophobicContact CB-CE 3.87Å; V225-M230 HydrophobicContact CB-SD 4.48Å; V225-M230 HydrophobicContact CG1-CE 4.18Å; V225-M230 VanDerWaalsContact O-CE 3.23Å; V225-M230 WeakPolarHBondContact O-CE 3.49Å; V225-A233 HydrophobicContact CG1-CB 4.16Å; V225-A233 HydrophobicContact CG2-CB 4.43Å; V225-G260 PolarHBondContact N-O 3Å; V225-F262 HydrophobicContact CB-CD2 4.35Å; V225-F262 HydrophobicContact CB-CE2 3.96Å; V225-F262 HydrophobicContact CG2-CD2 3.79Å; V225-F262 HydrophobicContact CG2-CE2 3.65Å; V225-F281 HydrophobicContact CG1-CB 4.33Å
226R91.1Very high86.1Confident117 Ų11766.7 Ų66.744%0.44238%0.379SS..  trans-59.8139.2178.2-79.3179.954.7-154.1-14.3110.5D228 L229 M230 E283R226-D228 IonicContact CZ-OD2 3.78Å; R226-D228 IonicContact NE-OD2 2.77Å; R226-D228 IonicContact NH2-OD2 3.52Å; R226-D228 PolarHBondContact NH2-OD2 3.46Å; R226-D228 PolarHBondContact O-N 3.5Å; R226-D228 VanDerWaalsContact O-N 3.11Å; R226-L229 HydrophobicContact CB-CD1 4.37Å; R226-L229 HydrophobicContact CB-CG 4.28Å; R226-L229 WeakPolarHBondContact O-CA 3.34Å; R226-L229 WeakPolarHBondContact O-CB 3.19Å; R226-L229 PolarHBondContact O-N 2.94Å; R226-M230 PolarHBondContact O-N 3.14Å; R226-E283 IonicContact CZ-OE2 3.18Å; R226-E283 IonicContact NH1-OE2 3.17Å; R226-E283 PolarHBondContact NH1-OE2 2.9Å; R226-E283 IonicContact NH2-OE2 2.73Å; R226-E283 PolarHBondContact NH2-OE2 3.47Å
227P88.8Confident87.4Confident100 Ų10069.6 Ų69.665%0.64938%0.383SS*.Hα-helixtrans-52.3-38.3-179-30.436.2000114.2L229 M230P227-L229 PolarHBondContact O-N 2.81Å; P227-L229 VanDerWaalsContact O-N 3.1Å; P227-M230 VanDerWaalsContact O-CB 3.29Å; P227-M230 WeakPolarHBondContact O-CB 3.38Å; P227-M230 PolarHBondContact O-N 3.18Å; P227-M230 VanDerWaalsContact O-N 3.11Å
228D89.7Confident88.8Confident121 Ų12165.6 Ų65.665%0.64736%0.357SS*.Hα-helixtrans-58.7-21.9176-50-54.2000114.2R226R226-D228 IonicContact CZ-OD2 3.78Å; R226-D228 IonicContact NE-OD2 2.77Å; R226-D228 IonicContact NH2-OD2 3.52Å; R226-D228 PolarHBondContact NH2-OD2 3.46Å; R226-D228 PolarHBondContact O-N 3.5Å; R226-D228 VanDerWaalsContact O-N 3.11Å
229L91.1Very high89.9Confident2 Ų267.4 Ų67.41%0.0137%0.37CS..Hα-helixtrans-106.9-7.3-177.5-52.6-176.2000112.5V225 R226 P227 G231 L232 A233 F281 E283 V338V225-L229 HydrophobicContact CG1-CB 3.89Å; R226-L229 HydrophobicContact CB-CD1 4.37Å; R226-L229 HydrophobicContact CB-CG 4.28Å; R226-L229 WeakPolarHBondContact O-CA 3.34Å; R226-L229 WeakPolarHBondContact O-CB 3.19Å; R226-L229 PolarHBondContact O-N 2.94Å; P227-L229 PolarHBondContact O-N 2.81Å; P227-L229 VanDerWaalsContact O-N 3.1Å; L229-G231 VanDerWaalsContact C-N 3.26Å; L229-G231 PolarHBondContact O-N 3.36Å; L229-L232 HydrophobicContact CD2-CD1 4.38Å; L229-L232 WeakPolarHBondContact O-CA 3.46Å; L229-L232 WeakPolarHBondContact O-CB 3.26Å; L229-L232 PolarHBondContact O-N 3.14Å; L229-A233 PolarHBondContact O-N 3.38Å; L229-F281 HydrophobicContact CB-CB 4.23Å; L229-F281 HydrophobicContact CD1-CB 4.49Å; L229-E283 HydrophobicContact CD1-CB 4.2Å; L229-V338 HydrophobicContact CD2-CG1 3.67Å; L229-V338 HydrophobicContact CD2-CG2 4.16Å
230M89.4Confident90.2Very high25 Ų2563.3 Ų63.312%0.12335%0.353CS..Hα-helixtrans-58.2-37.8-174.4-162.359.259.800112.5V225 R226 P227 L232 A233 I234 L255 F262V225-M230 HydrophobicContact CB-CE 3.87Å; V225-M230 HydrophobicContact CB-SD 4.48Å; V225-M230 HydrophobicContact CG1-CE 4.18Å; V225-M230 VanDerWaalsContact O-CE 3.23Å; V225-M230 WeakPolarHBondContact O-CE 3.49Å; R226-M230 PolarHBondContact O-N 3.14Å; P227-M230 VanDerWaalsContact O-CB 3.29Å; P227-M230 WeakPolarHBondContact O-CB 3.38Å; P227-M230 PolarHBondContact O-N 3.18Å; P227-M230 VanDerWaalsContact O-N 3.11Å; M230-L232 PolarHBondContact O-N 3.24Å; M230-A233 PolarHBondContact O-N 2.88Å; M230-I234 HydrophobicContact CG-CD1 3.83Å; M230-I234 HydrophobicContact CG-CG1 4.4Å; M230-I234 WeakPolarHBondContact O-CB 3.49Å; M230-I234 WeakPolarHBondContact O-CG1 3.44Å; M230-I234 PolarHBondContact O-N 3.4Å; M230-I234 HydrophobicContact SD-CD1 4.48Å; M230-L255 HydrophobicContact SD-CD1 4.07Å; M230-L255 HydrophobicContact SD-CD2 4.49Å; M230-F262 HydrophobicContact CE-CE2 4.29Å; M230-F262 HydrophobicContact SD-CE2 3.57Å; M230-F262 VanDerWaalsContact SD-CE2 3.57Å; M230-F262 HydrophobicContact SD-CZ 3.8Å
231G88.3Confident90.4Very high57 Ų5757.7 Ų57.759%0.58833%0.327SS*.Hα-helixtrans-66.2-19.8175.600000114.7L229 G235L229-G231 VanDerWaalsContact C-N 3.26Å; L229-G231 PolarHBondContact O-N 3.36Å; G231-G235 WeakPolarHBondContact O-CA 3.36Å; G231-G235 PolarHBondContact O-N 3.07Å; G231-G235 VanDerWaalsContact O-N 3.17Å
232L89.6Confident90.5Very high61 Ų6159.8 Ų59.832%0.31934%0.337SS..Hα-helixtrans-82.5-45.8171.2-58.2176.3000110.5L229 M230 G235 F281 V314 V338L229-L232 HydrophobicContact CD2-CD1 4.38Å; L229-L232 WeakPolarHBondContact O-CA 3.46Å; L229-L232 WeakPolarHBondContact O-CB 3.26Å; L229-L232 PolarHBondContact O-N 3.14Å; M230-L232 PolarHBondContact O-N 3.24Å; L232-G235 PolarHBondContact O-N 3.41Å; L232-G235 VanDerWaalsContact O-N 3.16Å; L232-F281 HydrophobicContact CB-CD1 3.73Å; L232-F281 HydrophobicContact CB-CD2 4.27Å; L232-F281 HydrophobicContact CB-CE1 3.77Å; L232-F281 HydrophobicContact CB-CE2 4.29Å; L232-F281 HydrophobicContact CB-CG 3.99Å; L232-F281 HydrophobicContact CB-CZ 4.05Å; L232-F281 HydrophobicContact CD1-CD1 4.02Å; L232-F281 HydrophobicContact CD1-CE1 4.3Å; L232-V314 HydrophobicContact CD1-CG1 4.37Å; L232-V314 HydrophobicContact CD2-CG1 4.27Å; L232-V338 HydrophobicContact CD1-CG1 3.82Å
233A90.2Very high90.4Very high0 Ų059.6 Ų59.60%034%0.336CS..Hα-helixtrans-60.8-46.2177.600000112.5V225 L229 M230 N240 F262 L279 F281V225-A233 HydrophobicContact CG1-CB 4.16Å; V225-A233 HydrophobicContact CG2-CB 4.43Å; L229-A233 PolarHBondContact O-N 3.38Å; M230-A233 PolarHBondContact O-N 2.88Å; A233-N240 WeakPolarHBondContact O-CB 3.47Å; A233-N240 PolarHBondContact O-ND2 2.89Å; A233-F262 HydrophobicContact CB-CE2 4.09Å; A233-F262 HydrophobicContact CB-CZ 3.82Å; A233-L279 WeakPolarHBondContact CB-O 3.42Å; A233-L279 WeakPolarHBondContact O-CD2 3.28Å; A233-F281 HydrophobicContact CB-CD2 3.89Å
234I89.9Confident90.4Very high45 Ų4559 Ų5923%0.23133%0.333CS..Hα-helixtrans-68-39173-64.7172.8000110.6M230 G238 N240 I241 L255M230-I234 HydrophobicContact CG-CD1 3.83Å; M230-I234 HydrophobicContact CG-CG1 4.4Å; M230-I234 WeakPolarHBondContact O-CB 3.49Å; M230-I234 WeakPolarHBondContact O-CG1 3.44Å; M230-I234 PolarHBondContact O-N 3.4Å; M230-I234 HydrophobicContact SD-CD1 4.48Å; I234-G238 CarbonylContact O-C 3.56Å; I234-G238 VanDerWaalsContact O-CA 3.23Å; I234-G238 WeakPolarHBondContact O-CA 3.42Å; I234-N240 PolarHBondContact O-N 2.94Å; I234-N240 VanDerWaalsContact O-N 3.1Å; I234-I241 HydrophobicContact CG2-CG2 4.2Å; I234-I241 PolarHBondContact O-N 3.35Å; I234-L255 HydrophobicContact CD1-CD2 3.86Å; I234-L255 HydrophobicContact CG1-CD2 4.02Å
235G88.6Confident90.4Very high17 Ų1759.9 Ų59.918%0.17533%0.325CS..  trans75.5168.9-173.200000112.9G231 L232 H237 G238G231-G235 WeakPolarHBondContact O-CA 3.36Å; G231-G235 PolarHBondContact O-N 3.07Å; G231-G235 VanDerWaalsContact O-N 3.17Å; L232-G235 PolarHBondContact O-N 3.41Å; L232-G235 VanDerWaalsContact O-N 3.16Å; G235-H237 PolarHBondContact O-N 3.4Å; G235-G238 PolarHBondContact O-N 2.96Å
236S88.5Confident90.4Very high94 Ų9467.3 Ų67.366%0.65736%0.357SS*.G310 helixtrans-59.6124.7179.153.40000111G238 S239S236-G238 PolarHBondContact O-N 3.44Å; S236-G238 VanDerWaalsContact O-N 3.11Å; S236-S239 WeakPolarHBondContact O-CB 3.48Å; S236-S239 PolarHBondContact O-N 3.37Å; S236-S239 VanDerWaalsContact O-N 3.09Å
237H86.4Confident90.4Very high189 Ų18963.6 Ų63.688%0.87535%0.346SS*.G310 helixtrans53.324.9-174.2-49.692.9000115G235G235-H237 PolarHBondContact O-N 3.4Å
238G89.4Confident90.4Very high10 Ų1064.4 Ų64.410%0.10335%0.351CS..G310 helixtrans80.413.8-178.300000115I234 G235 S236 N240 I241 Q242I234-G238 CarbonylContact O-C 3.56Å; I234-G238 VanDerWaalsContact O-CA 3.23Å; I234-G238 WeakPolarHBondContact O-CA 3.42Å; G235-G238 PolarHBondContact O-N 2.96Å; S236-G238 PolarHBondContact O-N 3.44Å; S236-G238 VanDerWaalsContact O-N 3.11Å; G238-N240 VanDerWaalsContact C-N 3.26Å; G238-N240 PolarHBondContact O-N 2.81Å; G238-I241 VanDerWaalsContact O-CG2 3.3Å; G238-I241 WeakPolarHBondContact O-CG2 3.45Å; G238-Q242 VanDerWaalsContact O-CB 3.29Å; G238-Q242 WeakPolarHBondContact O-CB 3.27Å; G238-Q242 VanDerWaalsContact O-CG 3.22Å; G238-Q242 WeakPolarHBondContact O-CG 3.43Å; G238-Q242 PolarHBondContact O-N 3.35Å
239S92.3Very high90.3Very high56 Ų5659.8 Ų59.839%0.39233%0.332SS..Hα-helixtrans-56.8-36.6-176-172.30000113.7S236 Q243S236-S239 WeakPolarHBondContact O-CB 3.48Å; S236-S239 PolarHBondContact O-N 3.37Å; S236-S239 VanDerWaalsContact O-N 3.09Å; S239-Q243 WeakPolarHBondContact O-CG 3.37Å; S239-Q243 PolarHBondContact O-N 3.27Å
240N90.9Very high90.3Very high23 Ų2360.7 Ų60.712%0.12334%0.337CS..Hα-helixtrans-80.4-44.6-173.9-169.747000111.3A233 I234 G238 Q242 Q243 A244 F278A233-N240 WeakPolarHBondContact O-CB 3.47Å; A233-N240 PolarHBondContact O-ND2 2.89Å; I234-N240 PolarHBondContact O-N 2.94Å; I234-N240 VanDerWaalsContact O-N 3.1Å; G238-N240 VanDerWaalsContact C-N 3.26Å; G238-N240 PolarHBondContact O-N 2.81Å; N240-Q242 VanDerWaalsContact C-N 3.27Å; N240-Q242 PolarHBondContact O-N 2.98Å; N240-Q243 WeakPolarHBondContact O-CB 3.37Å; N240-Q243 PolarHBondContact O-N 3.18Å; N240-A244 PolarHBondContact O-N 3.2Å; N240-F278 PolarHBondContact ND2-O 3.31Å
241I91.5Very high90.3Very high18 Ų1862.3 Ų62.39%0.09235%0.349CS..Hα-helixtrans-63.8-31.1170.7-167.1176.5000112.3I234 G238 R245 I253 F262 L279I234-I241 HydrophobicContact CG2-CG2 4.2Å; I234-I241 PolarHBondContact O-N 3.35Å; G238-I241 VanDerWaalsContact O-CG2 3.3Å; G238-I241 WeakPolarHBondContact O-CG2 3.45Å; I241-R245 WeakPolarHBondContact O-CB 3.46Å; I241-R245 VanDerWaalsContact O-CG 3.26Å; I241-R245 WeakPolarHBondContact O-CG 3.3Å; I241-R245 PolarHBondContact O-N 3.13Å; I241-I253 HydrophobicContact CD1-CG2 4.35Å; I241-I253 HydrophobicContact CG1-CG2 4.45Å; I241-F262 HydrophobicContact CD1-CE1 4.12Å; I241-L279 HydrophobicContact CB-CD2 4.26Å
242Q92Very high90.3Very high98 Ų9860.8 Ų60.846%0.45833%0.331SS..Hα-helixtrans-70.2-30.1170.8-75.2178.835.900113.5G238 N240 K246G238-Q242 VanDerWaalsContact O-CB 3.29Å; G238-Q242 WeakPolarHBondContact O-CB 3.27Å; G238-Q242 VanDerWaalsContact O-CG 3.22Å; G238-Q242 WeakPolarHBondContact O-CG 3.43Å; G238-Q242 PolarHBondContact O-N 3.35Å; N240-Q242 VanDerWaalsContact C-N 3.27Å; N240-Q242 PolarHBondContact O-N 2.98Å; Q242-K246 WeakPolarHBondContact O-CD 3.38Å; Q242-K246 WeakPolarHBondContact O-CG 3.2Å; Q242-K246 PolarHBondContact O-N 3.41Å
243Q91.3Very high90.4Very high100 Ų10058.1 Ų58.147%0.46732%0.317SS..Hα-helixtrans-71.5-45.3172.9-79.5168.8-33.500110.7S239 N240 R245 K246 L247S239-Q243 WeakPolarHBondContact O-CG 3.37Å; S239-Q243 PolarHBondContact O-N 3.27Å; N240-Q243 WeakPolarHBondContact O-CB 3.37Å; N240-Q243 PolarHBondContact O-N 3.18Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.95Å; Q243-K246 PolarHBondContact O-N 3.31Å; Q243-L247 PolarHBondContact O-N 3.39Å
244A92.6Very high90.5Very high0 Ų062.9 Ų62.90%034%0.339CS..Hα-helixtrans-58.5-41.5174.800000112.6N240 K246 L247 I253 A275 F278 L279N240-A244 PolarHBondContact O-N 3.2Å; A244-K246 PolarHBondContact O-N 3.37Å; A244-L247 PolarHBondContact O-N 3.29Å; A244-I253 HydrophobicContact CB-CD1 3.62Å; A244-A275 HydrophobicContact CB-CB 4.37Å; A244-F278 HydrophobicContact CB-CB 4.49Å; A244-L279 HydrophobicContact CB-CD1 3.73Å; A244-L279 HydrophobicContact CB-CD2 4.18Å; A244-L279 HydrophobicContact CB-CG 3.92Å
245R92.9Very high90.5Very high120 Ų12062.7 Ų62.745%0.45334%0.339SS..THydrogen-bonded Turntrans-67.3-13.1173.2-72.1175.2-168.8-85.5-3.9114.9I241 Q243 I253I241-R245 WeakPolarHBondContact O-CB 3.46Å; I241-R245 VanDerWaalsContact O-CG 3.26Å; I241-R245 WeakPolarHBondContact O-CG 3.3Å; I241-R245 PolarHBondContact O-N 3.13Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.95Å; R245-I253 HydrophobicContact CG-CB 4.18Å; R245-I253 HydrophobicContact CG-CD1 4.01Å; R245-I253 HydrophobicContact CG-CG1 4.1Å; R245-I253 PolarHBondContact NH1-O 3.3Å; R245-I253 PolarHBondContact NH2-O 2.88Å
246K93.4Very high90.6Very high161 Ų16165 Ų6570%0.735%0.346SS*.THydrogen-bonded Turntrans-99.3-0.1178.7-76.1169.6-175.4170.70113.1Q242 Q243 A244Q242-K246 WeakPolarHBondContact O-CD 3.38Å; Q242-K246 WeakPolarHBondContact O-CG 3.2Å; Q242-K246 PolarHBondContact O-N 3.41Å; Q243-K246 PolarHBondContact O-N 3.31Å; A244-K246 PolarHBondContact O-N 3.37Å
247L91.3Very high90.5Very high39 Ų3968.3 Ų68.320%0.20435%0.352CS..SBendtrans-70.2135.3176.7-68.1170000110.3Q243 A244 G249 V250 K274 A275 F278Q243-L247 PolarHBondContact O-N 3.39Å; A244-L247 PolarHBondContact O-N 3.29Å; L247-G249 PolarHBondContact O-N 2.82Å; L247-V250 HydrophobicContact CB-CG2 3.77Å; L247-V250 PolarHBondContact O-N 3.33Å; L247-K274 HydrophobicContact CD1-CB 4.29Å; L247-A275 VanDerWaalsContact CD1-CA 3.49Å; L247-A275 HydrophobicContact CD1-CB 3.77Å; L247-F278 HydrophobicContact CD1-CD2 3.86Å; L247-F278 HydrophobicContact CD1-CE2 3.87Å; L247-F278 HydrophobicContact CD2-CE2 4.05Å; L247-F278 HydrophobicContact CG-CE2 4.48Å
248P89.3Confident90.4Very high117 Ų11768.5 Ų68.576%0.7635%0.353SS*.THydrogen-bonded Turntrans-62.4134.5177.227-34.2000110.2A271P248-A271 VanDerWaalsContact O-CB 3.24Å; P248-A271 WeakPolarHBondContact O-CB 3.23Å
249G88Confident90.4Very high23 Ų2371.9 Ų71.924%0.23737%0.372CS..THydrogen-bonded Turntrans83.33.9-176.800000115.4L247 G266 E267 A271L247-G249 PolarHBondContact O-N 2.82Å; G249-G266 CarbonylContact O-C 3.18Å; G249-G266 WeakPolarHBondContact O-CA 3.44Å; G249-E267 PolarHBondContact O-N 2.91Å; G249-A271 VanDerWaalsContact C-CB 3.46Å; G249-A271 WeakPolarHBondContact O-CB 3.44Å
250V90.4Very high90.1Very high21 Ų2169.3 Ų69.313%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-90.5120.5167179.10000109.2L247 I253 I264 A271 A275L247-V250 HydrophobicContact CB-CG2 3.77Å; L247-V250 PolarHBondContact O-N 3.33Å; V250-I253 HydrophobicContact CG1-CD1 4.23Å; V250-I253 HydrophobicContact CG1-CG1 3.91Å; V250-I264 HydrophobicContact CG1-CG2 4.37Å; V250-A271 HydrophobicContact CG2-CB 4.15Å; V250-A275 HydrophobicContact CG2-CB 3.81Å
251T88.8Confident90.2Very high59 Ų5969 Ų6936%0.36235%0.353SS..EExtended strand (participates in β ladder)trans-88.5-44.9-177.7-45.80000111.2L215 Y265 G266L215-T251 HydrophobicContact CD2-CG2 3.84Å; T251-Y265 PolarHBondContact N-O 2.96Å; T251-G266 WeakPolarHBondContact OG1-CA 3.41Å
252A89.3Confident90.3Very high26 Ų2668.1 Ų68.122%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-153.9156.9178.600000111.8L215 Y265L215-A252 HydrophobicContact CD2-CB 4.26Å; A252-Y265 HydrophobicContact CB-CD2 4.18Å; A252-Y265 PolarHBondContact N-O 3.22Å; A252-Y265 VanDerWaalsContact N-O 3.1Å; A252-Y265 PolarHBondContact O-N 3.35Å
253I91.7Very high90.3Very high4 Ų468.4 Ų68.42%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-131125.3165.1-57-174000107.2I241 A244 R245 V250 F262 R263 I264 L279I241-I253 HydrophobicContact CD1-CG2 4.35Å; I241-I253 HydrophobicContact CG1-CG2 4.45Å; A244-I253 HydrophobicContact CB-CD1 3.62Å; R245-I253 HydrophobicContact CG-CB 4.18Å; R245-I253 HydrophobicContact CG-CD1 4.01Å; R245-I253 HydrophobicContact CG-CG1 4.1Å; R245-I253 PolarHBondContact NH1-O 3.3Å; R245-I253 PolarHBondContact NH2-O 2.88Å; V250-I253 HydrophobicContact CG1-CD1 4.23Å; V250-I253 HydrophobicContact CG1-CG1 3.91Å; I253-F262 HydrophobicContact CG2-CD1 4.33Å; I253-R263 CarbonylContact C-O 3.6Å; I253-R263 WeakPolarHBondContact CA-O 3.14Å; I253-I264 HydrophobicContact CD1-CG1 4.33Å; I253-I264 HydrophobicContact CG1-CG1 4.22Å; I253-I264 HydrophobicContact CG1-CG2 4.27Å; I253-I264 HydrophobicContact CG2-CG1 4.26Å; I253-L279 HydrophobicContact CD1-CD1 3.94Å; I253-L279 HydrophobicContact CG2-CD1 4.37Å
254E91.3Very high90.4Very high100 Ų10063.7 Ų63.747%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-105.3146.3170-58.9-176.2162.700109F262 R263 Y265E254-F262 WeakPolarHBondContact O-CA 3.4Å; E254-R263 HydrophobicContact CB-CB 4.32Å; E254-R263 PolarHBondContact N-O 3.2Å; E254-R263 PolarHBondContact O-N 3.43Å; E254-Y265 HydrophobicContact CG-CE2 4.14Å
255L90.6Very high90.3Very high42 Ų4265.3 Ų65.322%0.2233%0.33CS..EExtended strand (participates in β ladder)trans-134.1121175.3170.158.6000107.7M230 I234 E257 T261 F262M230-L255 HydrophobicContact SD-CD1 4.07Å; M230-L255 HydrophobicContact SD-CD2 4.49Å; I234-L255 HydrophobicContact CD1-CD2 3.86Å; I234-L255 HydrophobicContact CG1-CD2 4.02Å; L255-E257 HydrophobicContact CD2-CG 4.35Å; L255-E257 HydrophobicContact CG-CG 4.27Å; L255-T261 WeakPolarHBondContact CA-O 3.35Å; L255-F262 HydrophobicContact CB-CD1 4.38Å; L255-F262 HydrophobicContact CB-CE1 4.36Å; L255-F262 HydrophobicContact CD1-CD1 4.08Å; L255-F262 HydrophobicContact CD1-CD2 3.94Å; L255-F262 HydrophobicContact CD1-CE1 3.9Å; L255-F262 HydrophobicContact CD1-CE2 3.74Å; L255-F262 HydrophobicContact CD1-CG 4.11Å; L255-F262 HydrophobicContact CD1-CZ 3.72Å; L255-F262 HydrophobicContact CD2-CE1 4.06Å; L255-F262 HydrophobicContact CD2-CZ 4.06Å; L255-F262 HydrophobicContact CG-CE1 4.34Å; L255-F262 HydrophobicContact CG-CZ 4.44Å
256D90.4Very high90.2Very high64 Ų6459.6 Ų59.634%0.34231%0.308SS..EExtended strand (participates in β ladder)trans-87.8109.4164.2175-4.2000108.3E258 T259 G260 T261D256-E258 VanDerWaalsContact C-N 3.3Å; D256-E258 PolarHBondContact O-N 2.75Å; D256-E258 PolarHBondContact OD1-N 2.99Å; D256-T259 PolarHBondContact OD1-N 3.49Å; D256-T259 VanDerWaalsContact OD1-N 3.16Å; D256-T259 WeakPolarHBondContact OD2-CB 3.43Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.43Å; D256-T259 PolarHBondContact OD2-OG1 3.43Å; D256-G260 VanDerWaalsContact O-CA 3.25Å; D256-G260 WeakPolarHBondContact O-CA 3.49Å; D256-G260 PolarHBondContact O-N 3.13Å; D256-T261 PolarHBondContact N-O 2.88Å; D256-T261 PolarHBondContact O-N 3.24Å
257E85.9Confident89.9Confident165 Ų16557.7 Ų57.777%0.77130%0.302SS*.THydrogen-bonded Turntrans-72.1-20.3-179.6-64.6-170.8175.100113.3L255L255-E257 HydrophobicContact CD2-CG 4.35Å; L255-E257 HydrophobicContact CG-CG 4.27Å
258E85.8Confident89.8Confident192 Ų19259 Ų5990%0.89731%0.312SS*.THydrogen-bonded Turntrans-82.9-43.3-179.8-63.1-163.7163.700111.8D256D256-E258 VanDerWaalsContact C-N 3.3Å; D256-E258 PolarHBondContact O-N 2.75Å; D256-E258 PolarHBondContact OD1-N 2.99Å
259T87.8Confident89.8Confident81 Ų8158.8 Ų58.850%0.49730%0.3SS..THydrogen-bonded Turntrans-88.8-18.1176.4660000113.6D256 T261D256-T259 PolarHBondContact OD1-N 3.49Å; D256-T259 VanDerWaalsContact OD1-N 3.16Å; D256-T259 WeakPolarHBondContact OD2-CB 3.43Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.43Å; D256-T259 PolarHBondContact OD2-OG1 3.43Å; T259-T261 VanDerWaalsContact C-N 3.34Å; T259-T261 WeakPolarHBondContact OG1-CB 3.35Å; T259-T261 PolarHBondContact OG1-N 3.35Å; T259-T261 PolarHBondContact OG1-OG1 3.47Å
260G87.4Confident90Very high2 Ų263.7 Ų63.72%0.02132%0.317CS..THydrogen-bonded Turntrans72.726.4-172.500000113.5V225 D256V225-G260 PolarHBondContact N-O 3Å; D256-G260 VanDerWaalsContact O-CA 3.25Å; D256-G260 WeakPolarHBondContact O-CA 3.49Å; D256-G260 PolarHBondContact O-N 3.13Å
261T92.2Very high90Very high17 Ų1762.9 Ų62.910%0.10431%0.313CS..EExtended strand (participates in β ladder)trans-94126.2-176.7-52.20000111.1E222 T224 L255 D256 T259E222-T261 HydrophobicContact CG-CG2 3.53Å; E222-T261 WeakPolarHBondContact OE1-CG2 3.41Å; T224-T261 HydrophobicContact CG2-CG2 4.31Å; L255-T261 WeakPolarHBondContact CA-O 3.35Å; D256-T261 PolarHBondContact N-O 2.88Å; D256-T261 PolarHBondContact O-N 3.24Å; T259-T261 VanDerWaalsContact C-N 3.34Å; T259-T261 WeakPolarHBondContact OG1-CB 3.35Å; T259-T261 PolarHBondContact OG1-N 3.35Å; T259-T261 PolarHBondContact OG1-OG1 3.47Å
262F93.8Very high90.2Very high0 Ų060.2 Ų60.20%030%0.296CS..EExtended strand (participates in β ladder)trans-98.4133.2170.3-72.2-97.1000109.9E222 F223 V225 M230 A233 I241 I253 E254 L255 L279E222-F262 WeakPolarHBondContact CA-O 3.33Å; F223-F262 HydrophobicContact CD1-CB 4.26Å; F223-F262 HydrophobicContact CD2-CB 4.4Å; F223-F262 HydrophobicContact CD2-CD2 4.5Å; F223-F262 HydrophobicContact CE1-CB 3.66Å; F223-F262 HydrophobicContact CE1-CG 4.48Å; F223-F262 HydrophobicContact CE2-CB 3.83Å; F223-F262 AromaticContact CE2-CD2 3.79Å; F223-F262 HydrophobicContact CE2-CD2 3.79Å; F223-F262 AromaticContact CE2-CG 3.94Å; F223-F262 HydrophobicContact CE2-CG 3.94Å; F223-F262 HydrophobicContact CZ-CB 3.41Å; F223-F262 VanDerWaalsContact CZ-CB 3.41Å; F223-F262 HydrophobicContact CZ-CD1 4.42Å; F223-F262 HydrophobicContact CZ-CD2 4.09Å; F223-F262 AromaticContact CZ-CG 3.75Å; F223-F262 HydrophobicContact CZ-CG 3.75Å; F223-F262 PolarHBondContact N-O 3.06Å; F223-F262 VanDerWaalsContact N-O 3.13Å; F223-F262 PolarHBondContact O-N 2.95Å; V225-F262 HydrophobicContact CB-CD2 4.35Å; V225-F262 HydrophobicContact CB-CE2 3.96Å; V225-F262 HydrophobicContact CG2-CD2 3.79Å; V225-F262 HydrophobicContact CG2-CE2 3.65Å; M230-F262 HydrophobicContact CE-CE2 4.29Å; M230-F262 HydrophobicContact SD-CE2 3.57Å; M230-F262 VanDerWaalsContact SD-CE2 3.57Å; M230-F262 HydrophobicContact SD-CZ 3.8Å; A233-F262 HydrophobicContact CB-CE2 4.09Å; A233-F262 HydrophobicContact CB-CZ 3.82Å; I241-F262 HydrophobicContact CD1-CE1 4.12Å; I253-F262 HydrophobicContact CG2-CD1 4.33Å; E254-F262 WeakPolarHBondContact O-CA 3.4Å; L255-F262 HydrophobicContact CB-CD1 4.38Å; L255-F262 HydrophobicContact CB-CE1 4.36Å; L255-F262 HydrophobicContact CD1-CD1 4.08Å; L255-F262 HydrophobicContact CD1-CD2 3.94Å; L255-F262 HydrophobicContact CD1-CE1 3.9Å; L255-F262 HydrophobicContact CD1-CE2 3.74Å; L255-F262 HydrophobicContact CD1-CG 4.11Å; L255-F262 HydrophobicContact CD1-CZ 3.72Å; L255-F262 HydrophobicContact CD2-CE1 4.06Å; L255-F262 HydrophobicContact CD2-CZ 4.06Å; L255-F262 HydrophobicContact CG-CE1 4.34Å; L255-F262 HydrophobicContact CG-CZ 4.44Å; F262-L279 HydrophobicContact CD1-CD1 4.03Å; F262-L279 HydrophobicContact CE1-CD1 4.19Å
263R92.3Very high90.4Very high104 Ų10465.4 Ų65.439%0.39231%0.314SS..EExtended strand (participates in β ladder)trans-116.5123.2165.8-64.8179.9-179.9131.812.3109.3E222 I253 E254 Y265E222-R263 HydrophobicContact CB-CG 4.41Å; E222-R263 HydrophobicContact CG-CG 4.05Å; E222-R263 IonicContact OE1-CZ 2.96Å; E222-R263 IonicContact OE1-NE 2.72Å; E222-R263 PolarHBondContact OE1-NE 2.88Å; E222-R263 IonicContact OE1-NH2 3.95Å; E222-R263 PolarHBondContact OE1-NH2 2.86Å; I253-R263 CarbonylContact C-O 3.6Å; I253-R263 WeakPolarHBondContact CA-O 3.14Å; E254-R263 HydrophobicContact CB-CB 4.32Å; E254-R263 PolarHBondContact N-O 3.2Å; E254-R263 PolarHBondContact O-N 3.43Å; R263-Y265 HydrophobicContact CB-CE2 3.86Å
264I93Very high90.4Very high0 Ų070.1 Ų70.10%033%0.334CS..EExtended strand (participates in β ladder)trans-110.4127.8178-58-179.1000108.1Q220 Q221 F223 V250 I253 V272 A275 R276 L279Q220-I264 CarbonylContact C-O 3.55Å; Q220-I264 VanDerWaalsContact CA-O 3.26Å; Q220-I264 WeakPolarHBondContact CA-O 3.48Å; Q221-I264 PolarHBondContact N-O 2.86Å; Q221-I264 PolarHBondContact O-N 2.7Å; F223-I264 HydrophobicContact CE1-CD1 3.72Å; F223-I264 HydrophobicContact CE1-CG1 4.17Å; F223-I264 HydrophobicContact CZ-CD1 4.27Å; V250-I264 HydrophobicContact CG1-CG2 4.37Å; I253-I264 HydrophobicContact CD1-CG1 4.33Å; I253-I264 HydrophobicContact CG1-CG1 4.22Å; I253-I264 HydrophobicContact CG1-CG2 4.27Å; I253-I264 HydrophobicContact CG2-CG1 4.26Å; I264-V272 HydrophobicContact CB-CG1 4.16Å; I264-V272 HydrophobicContact CG2-CB 4.28Å; I264-V272 HydrophobicContact CG2-CG1 3.94Å; I264-V272 HydrophobicContact CG2-CG2 4.28Å; I264-A275 HydrophobicContact CD1-CB 3.83Å; I264-A275 HydrophobicContact CG2-CB 3.9Å; I264-R276 HydrophobicContact CD1-CB 4.19Å; I264-L279 HydrophobicContact CD1-CD1 4.18Å
265Y90.9Very high90.5Very high35 Ų3565.4 Ų65.414%0.13731%0.312CS..EExtended strand (participates in β ladder)trans-113.9134.3177.2-64.2-79.6000109.3F219 Q220 T251 A252 E254 R263F219-Y265 CarbonylContact O-C 3.56Å; F219-Y265 WeakPolarHBondContact O-CA 3.45Å; Q220-Y265 HydrophobicContact CB-CD1 3.76Å; Q220-Y265 HydrophobicContact CB-CE1 3.7Å; T251-Y265 PolarHBondContact N-O 2.96Å; A252-Y265 HydrophobicContact CB-CD2 4.18Å; A252-Y265 PolarHBondContact N-O 3.22Å; A252-Y265 VanDerWaalsContact N-O 3.1Å; A252-Y265 PolarHBondContact O-N 3.35Å; E254-Y265 HydrophobicContact CG-CE2 4.14Å; R263-Y265 HydrophobicContact CB-CE2 3.86Å
266G90.4Very high90.7Very high0 Ų065.7 Ų65.70%031%0.31CS..EExtended strand (participates in β ladder)trans-161.8156.3-178.200000114.9S218 F219 G249 T251 T268S218-G266 WeakPolarHBondContact CB-O 3.46Å; F219-G266 WeakPolarHBondContact CB-O 3.23Å; F219-G266 PolarHBondContact N-O 3.09Å; F219-G266 PolarHBondContact O-N 2.84Å; G249-G266 CarbonylContact O-C 3.18Å; G249-G266 WeakPolarHBondContact O-CA 3.44Å; T251-G266 WeakPolarHBondContact OG1-CA 3.41Å; G266-T268 PolarHBondContact O-N 2.87Å
267E87.5Confident90.8Very high121 Ų12164.3 Ų64.357%0.56531%0.306SS*.SBendtrans-72.1-18.6-177.3-59.9179.5155.300112.7G249G249-E267 PolarHBondContact O-N 2.91Å
268T89.4Confident91Very high67 Ų6760.3 Ų60.341%0.41129%0.286SS..SBendtrans-136142.9176.362.90000111.6G266 E270 A271 V272G266-T268 PolarHBondContact O-N 2.87Å; T268-E270 PolarHBondContact O-N 3.44Å; T268-A271 PolarHBondContact O-N 2.87Å; T268-A271 VanDerWaalsContact O-N 3.16Å; T268-A271 VanDerWaalsContact OG1-CB 3.29Å; T268-A271 WeakPolarHBondContact OG1-CB 3.33Å; T268-A271 PolarHBondContact OG1-N 2.82Å; T268-V272 WeakPolarHBondContact O-CG2 3.45Å; T268-V272 PolarHBondContact O-N 2.85Å
269E89.3Confident91.3Very high111 Ų11151.2 Ų51.252%0.51924%0.243SC..Hα-helixtrans-56.9-36.3173.9-167.3-171.1155.300111.6F219 V272 K273F219-E269 HydrophobicContact CD1-CB 3.94Å; F219-E269 HydrophobicContact CE1-CB 4.18Å; F219-E269 HydrophobicContact CG-CB 4.31Å; E269-V272 PolarHBondContact O-N 3.27Å; E269-K273 WeakPolarHBondContact O-CB 3.45Å; E269-K273 PolarHBondContact O-N 3.14Å
270E90.9Very high91.6Very high127 Ų12748.4 Ų48.459%0.59323%0.225SC*.Hα-helixtrans-59.7-45.7175.5-80.6-160.9-142.200113.4T268 K273 K274T268-E270 PolarHBondContact O-N 3.44Å; E270-K273 PolarHBondContact O-N 2.93Å; E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 WeakPolarHBondContact O-CD 3.47Å; E270-K274 WeakPolarHBondContact O-CG 3.35Å; E270-K274 PolarHBondContact O-N 2.98Å; E270-K274 IonicContact OE2-NZ 2.69Å; E270-K274 PolarHBondContact OE2-NZ 3.05Å
271A92.3Very high91.9Very high4 Ų449.3 Ų49.33%0.03323%0.228CC..Hα-helixtrans-64.8-43.1179.600000111.1P248 G249 V250 T268 K274 A275P248-A271 VanDerWaalsContact O-CB 3.24Å; P248-A271 WeakPolarHBondContact O-CB 3.23Å; G249-A271 VanDerWaalsContact C-CB 3.46Å; G249-A271 WeakPolarHBondContact O-CB 3.44Å; V250-A271 HydrophobicContact CG2-CB 4.15Å; T268-A271 PolarHBondContact O-N 2.87Å; T268-A271 VanDerWaalsContact O-N 3.16Å; T268-A271 VanDerWaalsContact OG1-CB 3.29Å; T268-A271 WeakPolarHBondContact OG1-CB 3.33Å; T268-A271 PolarHBondContact OG1-N 2.82Å; A271-K274 PolarHBondContact O-N 2.72Å; A271-A275 VanDerWaalsContact O-CB 3.32Å; A271-A275 WeakPolarHBondContact O-CB 3.39Å; A271-A275 PolarHBondContact O-N 3.35Å
272V92.4Very high92Very high2 Ų250.8 Ų50.81%0.01224%0.237CC..Hα-helixtrans-61.9-45.2176.1175.70000111.3F219 Q221 I264 T268 E269 A275 R276F219-V272 HydrophobicContact CB-CG2 4.12Å; F219-V272 WeakPolarHBondContact O-CG2 3.33Å; Q221-V272 HydrophobicContact CB-CG1 3.35Å; I264-V272 HydrophobicContact CB-CG1 4.16Å; I264-V272 HydrophobicContact CG2-CB 4.28Å; I264-V272 HydrophobicContact CG2-CG1 3.94Å; I264-V272 HydrophobicContact CG2-CG2 4.28Å; T268-V272 WeakPolarHBondContact O-CG2 3.45Å; T268-V272 PolarHBondContact O-N 2.85Å; E269-V272 PolarHBondContact O-N 3.27Å; V272-A275 PolarHBondContact O-N 3.01Å; V272-R276 WeakPolarHBondContact O-CB 3.39Å; V272-R276 PolarHBondContact O-N 2.96Å
273K92.5Very high91.9Very high135 Ų13552.7 Ų52.759%0.58725%0.246SC*.Hα-helixtrans-66.7-39178.7-172.4177.1-177.8177.60112.6E269 E270 R276 S277E269-K273 WeakPolarHBondContact O-CB 3.45Å; E269-K273 PolarHBondContact O-N 3.14Å; E270-K273 PolarHBondContact O-N 2.93Å; K273-R276 WeakPolarHBondContact O-CB 3.44Å; K273-R276 PolarHBondContact O-N 3.4Å; K273-S277 PolarHBondContact O-N 3.13Å; K273-S277 VanDerWaalsContact O-N 3.16Å
274K92.3Very high92Very high104 Ų10450.4 Ų50.445%0.45224%0.242SC..Hα-helixtrans-65.5-45.5172.8-72.8163.1-171.6164.20110.8L247 E270 A271 R276 S277 F278L247-K274 HydrophobicContact CD1-CB 4.29Å; E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 WeakPolarHBondContact O-CD 3.47Å; E270-K274 WeakPolarHBondContact O-CG 3.35Å; E270-K274 PolarHBondContact O-N 2.98Å; E270-K274 IonicContact OE2-NZ 2.69Å; E270-K274 PolarHBondContact OE2-NZ 3.05Å; A271-K274 PolarHBondContact O-N 2.72Å; K274-R276 VanDerWaalsContact C-N 3.27Å; K274-R276 PolarHBondContact O-N 3.07Å; K274-S277 PolarHBondContact O-N 2.84Å; K274-S277 PolarHBondContact O-OG 3.13Å; K274-F278 WeakPolarHBondContact O-CD2 3.45Å; K274-F278 PolarHBondContact O-N 3.14Å
275A93.6Very high91.8Very high0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-61.8-34.5175.700000112.7A244 L247 V250 I264 A271 V272 L279A244-A275 HydrophobicContact CB-CB 4.37Å; L247-A275 VanDerWaalsContact CD1-CA 3.49Å; L247-A275 HydrophobicContact CD1-CB 3.77Å; V250-A275 HydrophobicContact CG2-CB 3.81Å; I264-A275 HydrophobicContact CD1-CB 3.83Å; I264-A275 HydrophobicContact CG2-CB 3.9Å; A271-A275 VanDerWaalsContact O-CB 3.32Å; A271-A275 WeakPolarHBondContact O-CB 3.39Å; A271-A275 PolarHBondContact O-N 3.35Å; V272-A275 PolarHBondContact O-N 3.01Å; A275-L279 WeakPolarHBondContact O-CG 3.37Å
276R94.1Very high91.8Very high48 Ų4852.9 Ų52.918%0.18126%0.263CS..Hα-helixtrans-64.3-42.4172.4178.6175.2178.7151.814.9112.7Q221 F223 I264 V272 K273 K274 F278 L279 E280Q221-R276 VanDerWaalsContact CG-NH1 3.32Å; Q221-R276 VanDerWaalsContact OE1-NH1 3.12Å; F223-R276 HydrophobicContact CD1-CG 3.92Å; F223-R276 HydrophobicContact CE1-CB 4.25Å; F223-R276 HydrophobicContact CE1-CG 3.91Å; F223-R276 HydrophobicContact CG-CG 4.49Å; F223-R276 HydrophobicContact CZ-CG 4.47Å; I264-R276 HydrophobicContact CD1-CB 4.19Å; V272-R276 WeakPolarHBondContact O-CB 3.39Å; V272-R276 PolarHBondContact O-N 2.96Å; K273-R276 WeakPolarHBondContact O-CB 3.44Å; K273-R276 PolarHBondContact O-N 3.4Å; K274-R276 VanDerWaalsContact C-N 3.27Å; K274-R276 PolarHBondContact O-N 3.07Å; R276-F278 VanDerWaalsContact C-N 3.27Å; R276-F278 PolarHBondContact O-N 3.22Å; R276-L279 PolarHBondContact O-N 2.89Å; R276-E280 HydrophobicContact CG-CB 4.06Å; R276-E280 IonicContact CZ-OE1 3.85Å; R276-E280 IonicContact CZ-OE2 2.76Å; R276-E280 VanDerWaalsContact NE-CD 3.28Å; R276-E280 IonicContact NE-OE1 2.92Å; R276-E280 PolarHBondContact NE-OE1 2.77Å; R276-E280 IonicContact NE-OE2 3.25Å; R276-E280 PolarHBondContact NE-OE2 2.98Å; R276-E280 IonicContact NH2-OE1 3.83Å; R276-E280 PolarHBondContact NH2-OE1 3.21Å; R276-E280 IonicContact NH2-OE2 2.77Å; R276-E280 PolarHBondContact NH2-OE2 3.43Å; R276-E280 WeakPolarHBondContact O-CB 3.25Å; R276-E280 PolarHBondContact O-N 3.27Å
277S92.6Very high91.7Very high36 Ų3658.5 Ų58.525%0.25229%0.289SS..Hα-helixtrans-67.4-26.1-177.372.80000113.6K273 K274 T340 E342K273-S277 PolarHBondContact O-N 3.13Å; K273-S277 VanDerWaalsContact O-N 3.16Å; K274-S277 PolarHBondContact O-N 2.84Å; K274-S277 PolarHBondContact O-OG 3.13Å; S277-T340 WeakPolarHBondContact O-CB 3.37Å; S277-T340 VanDerWaalsContact O-CG2 3.29Å; S277-T340 WeakPolarHBondContact O-CG2 3.47Å; S277-E342 WeakPolarHBondContact CB-OE2 3.41Å; S277-E342 PolarHBondContact OG-OE2 3.03Å
278F90Very high91.8Very high81 Ų8152.7 Ų52.736%0.35526%0.262SS..Hα-helixtrans-68-30168.4-73.5-78.1000113.7N240 A244 L247 K274 R276 F281N240-F278 PolarHBondContact ND2-O 3.31Å; A244-F278 HydrophobicContact CB-CB 4.49Å; L247-F278 HydrophobicContact CD1-CD2 3.86Å; L247-F278 HydrophobicContact CD1-CE2 3.87Å; L247-F278 HydrophobicContact CD2-CE2 4.05Å; L247-F278 HydrophobicContact CG-CE2 4.48Å; K274-F278 WeakPolarHBondContact O-CD2 3.45Å; K274-F278 PolarHBondContact O-N 3.14Å; R276-F278 VanDerWaalsContact C-N 3.27Å; R276-F278 PolarHBondContact O-N 3.22Å; F278-F281 WeakPolarHBondContact O-CE2 3.32Å
279L92.7Very high91.8Very high0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-111.3-23.6-165.5-62.6-178.6000114.5F223 A233 I241 A244 I253 F262 I264 A275 R276 F281F223-L279 HydrophobicContact CE2-CB 4.14Å; F223-L279 HydrophobicContact CZ-CB 3.65Å; A233-L279 WeakPolarHBondContact CB-O 3.42Å; A233-L279 WeakPolarHBondContact O-CD2 3.28Å; I241-L279 HydrophobicContact CB-CD2 4.26Å; A244-L279 HydrophobicContact CB-CD1 3.73Å; A244-L279 HydrophobicContact CB-CD2 4.18Å; A244-L279 HydrophobicContact CB-CG 3.92Å; I253-L279 HydrophobicContact CD1-CD1 3.94Å; I253-L279 HydrophobicContact CG2-CD1 4.37Å; F262-L279 HydrophobicContact CD1-CD1 4.03Å; F262-L279 HydrophobicContact CE1-CD1 4.19Å; I264-L279 HydrophobicContact CD1-CD1 4.18Å; A275-L279 WeakPolarHBondContact O-CG 3.37Å; R276-L279 PolarHBondContact O-N 2.89Å; L279-F281 VanDerWaalsContact C-N 3.31Å; L279-F281 PolarHBondContact O-N 2.81Å
280E94Very high91.6Very high22 Ų2252 Ų5210%0.10325%0.251CS..  trans-77.476.9-179.3-167.2175.5-160.700111.3F223 R276 V282 T340 K341F223-E280 HydrophobicContact CD2-CB 3.92Å; F223-E280 HydrophobicContact CD2-CG 3.9Å; F223-E280 HydrophobicContact CE2-CB 3.92Å; F223-E280 HydrophobicContact CE2-CG 4.4Å; F223-E280 HydrophobicContact CG-CG 4.41Å; R276-E280 HydrophobicContact CG-CB 4.06Å; R276-E280 IonicContact CZ-OE1 3.85Å; R276-E280 IonicContact CZ-OE2 2.76Å; R276-E280 VanDerWaalsContact NE-CD 3.28Å; R276-E280 IonicContact NE-OE1 2.92Å; R276-E280 PolarHBondContact NE-OE1 2.77Å; R276-E280 IonicContact NE-OE2 3.25Å; R276-E280 PolarHBondContact NE-OE2 2.98Å; R276-E280 IonicContact NH2-OE1 3.83Å; R276-E280 PolarHBondContact NH2-OE1 3.21Å; R276-E280 IonicContact NH2-OE2 2.77Å; R276-E280 PolarHBondContact NH2-OE2 3.43Å; R276-E280 WeakPolarHBondContact O-CB 3.25Å; R276-E280 PolarHBondContact O-N 3.27Å; E280-V282 HydrophobicContact CG-CG2 4.27Å; E280-T340 WeakPolarHBondContact O-CA 3.38Å; E280-K341 VanDerWaalsContact CD-NZ 3.29Å; E280-K341 HydrophobicContact CG-CB 4.31Å; E280-K341 HydrophobicContact CG-CD 4.08Å; E280-K341 PolarHBondContact O-N 3.48Å; E280-K341 WeakPolarHBondContact OE1-CD 3.47Å; E280-K341 IonicContact OE1-NZ 2.61Å; E280-K341 PolarHBondContact OE1-NZ 2.98Å; E280-K341 WeakPolarHBondContact OE2-CD 3.31Å; E280-K341 IonicContact OE2-NZ 3.84Å; E280-K341 PolarHBondContact OE2-NZ 2.94Å; E280-K341 VanDerWaalsContact OE2-NZ 3.16Å
281F93.9Very high91.4Very high22 Ų2250.8 Ų50.810%0.09625%0.248CC..EExtended strand (participates in β ladder)trans-80.6130.9172.2-82.1-94.3000111.9V225 L229 L232 A233 F278 L279 V314 G339 T340V225-F281 HydrophobicContact CG1-CB 4.33Å; L229-F281 HydrophobicContact CB-CB 4.23Å; L229-F281 HydrophobicContact CD1-CB 4.49Å; L232-F281 HydrophobicContact CB-CD1 3.73Å; L232-F281 HydrophobicContact CB-CD2 4.27Å; L232-F281 HydrophobicContact CB-CE1 3.77Å; L232-F281 HydrophobicContact CB-CE2 4.29Å; L232-F281 HydrophobicContact CB-CG 3.99Å; L232-F281 HydrophobicContact CB-CZ 4.05Å; L232-F281 HydrophobicContact CD1-CD1 4.02Å; L232-F281 HydrophobicContact CD1-CE1 4.3Å; A233-F281 HydrophobicContact CB-CD2 3.89Å; F278-F281 WeakPolarHBondContact O-CE2 3.32Å; L279-F281 VanDerWaalsContact C-N 3.31Å; L279-F281 PolarHBondContact O-N 2.81Å; F281-V314 HydrophobicContact CE1-CG2 4.03Å; F281-G339 WeakPolarHBondContact CA-O 3.47Å; F281-G339 VanDerWaalsContact CD1-C 3.42Å; F281-G339 WeakPolarHBondContact CD1-O 3.36Å; F281-T340 HydrophobicContact CD2-CG2 4.35Å; F281-T340 HydrophobicContact CE1-CG2 4.11Å; F281-T340 HydrophobicContact CE2-CG2 3.89Å; F281-T340 HydrophobicContact CZ-CG2 3.75Å
282V93.6Very high91.2Very high47 Ų4750.7 Ų50.729%0.28525%0.247SC..EExtended strand (participates in β ladder)trans-130.8150.5-173.9-173.90000110.2E280 D284 V338 G339 K341E280-V282 HydrophobicContact CG-CG2 4.27Å; V282-D284 HydrophobicContact CG1-CB 4.42Å; V282-V338 WeakPolarHBondContact O-CA 3.36Å; V282-G339 PolarHBondContact N-O 2.77Å; V282-G339 PolarHBondContact O-N 2.82Å; V282-K341 HydrophobicContact CG2-CB 4.15Å
283E93Very high91Very high41 Ų4151.6 Ų51.619%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-113117.1164.9-176.1161.9-121.600107.9R226 L229 R315 R317 T336 F337 V338R226-E283 IonicContact CZ-OE2 3.18Å; R226-E283 IonicContact NH1-OE2 3.17Å; R226-E283 PolarHBondContact NH1-OE2 2.9Å; R226-E283 IonicContact NH2-OE2 2.73Å; R226-E283 PolarHBondContact NH2-OE2 3.47Å; L229-E283 HydrophobicContact CD1-CB 4.2Å; E283-R315 IonicContact OE1-CZ 2.68Å; E283-R315 IonicContact OE1-NH1 2.68Å; E283-R315 PolarHBondContact OE1-NH1 3.05Å; E283-R315 IonicContact OE1-NH2 3.63Å; E283-R315 PolarHBondContact OE1-NH2 3.34Å; E283-R317 IonicContact OE1-NH1 3.92Å; E283-T336 HydrophobicContact CG-CG2 3.54Å; E283-F337 WeakPolarHBondContact CA-O 3.19Å; E283-V338 HydrophobicContact CB-CG2 3.54Å; E283-V338 HydrophobicContact CG-CG2 3.52Å; E283-V338 WeakPolarHBondContact OE1-CG2 3.09Å
284D93.1Very high90.8Very high56 Ų5648 Ų4830%0.29925%0.253SS..EExtended strand (participates in β ladder)trans-136.7156.5-174.9-177.133.7000110.8V282 T336 F337 I344 Q348V282-D284 HydrophobicContact CG1-CB 4.42Å; D284-T336 CarbonylContact O-C 3.47Å; D284-T336 WeakPolarHBondContact O-CA 3.11Å; D284-F337 PolarHBondContact N-O 3.27Å; D284-F337 VanDerWaalsContact N-O 3.11Å; D284-F337 PolarHBondContact O-N 2.94Å; D284-I344 HydrophobicContact CB-CG2 3.83Å; D284-Q348 PolarHBondContact OD2-NE2 3.22Å
285S90.1Very high90.6Very high60 Ų6046.2 Ų46.242%0.4225%0.246SC..EExtended strand (participates in β ladder)trans-127.3112.9-17264.10000113.5F335S285-F335 WeakPolarHBondContact CA-O 3.49Å
286V90Very high90.5Very high27 Ų2746.2 Ų46.216%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-86.4130.1174.9-173.60000109.5F335 F337 V347 Q348 L351V286-F335 PolarHBondContact N-O 2.96Å; V286-F335 PolarHBondContact O-N 2.85Å; V286-F337 HydrophobicContact CB-CE2 4.36Å; V286-F337 HydrophobicContact CG2-CD2 4.26Å; V286-F337 HydrophobicContact CG2-CE2 4.22Å; V286-V347 HydrophobicContact CG2-CG1 4.41Å; V286-Q348 HydrophobicContact CG2-CG 3.92Å; V286-L351 HydrophobicContact CB-CD1 3.81Å; V286-L351 HydrophobicContact CG1-CB 4.46Å; V286-L351 HydrophobicContact CG1-CD1 3.74Å; V286-L351 HydrophobicContact CG2-CD1 4.07Å
287Q89.1Confident90.3Very high117 Ų11746 Ų4655%0.54725%0.248SC..EExtended strand (participates in β ladder)trans-85.6127.7178.6-64.6-170.15600111.2M332Q287-M332 HydrophobicContact CB-CB 4.48Å
288V89.8Confident90.1Very high0 Ų045.1 Ų45.10%024%0.244CC..EExtended strand (participates in β ladder)trans-119.2129.7-178.7-176.30000110.2R290 V293 V296 V333 F335 I355V288-R290 PolarHBondContact O-N 3.21Å; V288-V293 HydrophobicContact CB-CG2 4.15Å; V288-V293 HydrophobicContact CG1-CG2 3.84Å; V288-V296 HydrophobicContact CG1-CB 4.37Å; V288-V296 HydrophobicContact CG1-CG1 4.46Å; V288-V296 HydrophobicContact CG1-CG2 3.98Å; V288-V333 PolarHBondContact N-O 2.8Å; V288-V333 PolarHBondContact O-N 2.8Å; V288-F335 HydrophobicContact CB-CD1 3.96Å; V288-F335 HydrophobicContact CB-CE1 3.78Å; V288-F335 HydrophobicContact CB-CZ 4.37Å; V288-F335 HydrophobicContact CG1-CE1 4.25Å; V288-F335 HydrophobicContact CG1-CZ 4.42Å; V288-F335 HydrophobicContact CG2-CB 4.44Å; V288-F335 HydrophobicContact CG2-CD1 3.56Å; V288-F335 HydrophobicContact CG2-CD2 4.28Å; V288-F335 HydrophobicContact CG2-CE1 3.76Å; V288-F335 HydrophobicContact CG2-CE2 4.43Å; V288-F335 HydrophobicContact CG2-CG 3.86Å; V288-F335 HydrophobicContact CG2-CZ 4.19Å; V288-I355 HydrophobicContact CG1-CD1 4.25Å; V288-I355 HydrophobicContact CG2-CD1 4.32Å
289P89.2Confident90.1Very high29 Ų2950.1 Ų50.119%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-60131.3176.2-25.634.7000112.9N291 L292 V293 M332P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 WeakPolarHBondContact CB-OD1 3.29Å; P289-N291 PolarHBondContact O-N 3.32Å; P289-L292 HydrophobicContact CB-CB 4.49Å; P289-L292 HydrophobicContact CB-CD1 4.16Å; P289-L292 HydrophobicContact CB-CG 4.2Å; P289-L292 HydrophobicContact CG-CD1 4.1Å; P289-L292 CarbonylContact O-C 3.59Å; P289-L292 WeakPolarHBondContact O-CA 3.35Å; P289-L292 WeakPolarHBondContact O-CB 3.48Å; P289-L292 PolarHBondContact O-N 3.4Å; P289-V293 WeakPolarHBondContact O-CG2 3.37Å; P289-V293 PolarHBondContact O-N 3.47Å; P289-M332 HydrophobicContact CB-SD 4.28Å; P289-M332 HydrophobicContact CG-CE 4.16Å; P289-M332 HydrophobicContact CG-SD 3.96Å
290R85.1Confident89.8Confident135 Ų13558 Ų5851%0.50931%0.308SS..Hα-helixtrans-58.1-32-172.6-175.3177.8-178.1138.94114V288 L292 D321 G331 V333V288-R290 PolarHBondContact O-N 3.21Å; R290-L292 VanDerWaalsContact C-N 3.28Å; R290-L292 PolarHBondContact O-N 3.03Å; R290-D321 IonicContact CZ-OD1 3.44Å; R290-D321 IonicContact CZ-OD2 3.81Å; R290-D321 IonicContact NH1-OD1 2.82Å; R290-D321 PolarHBondContact NH1-OD1 3.38Å; R290-D321 IonicContact NH1-OD2 2.7Å; R290-D321 PolarHBondContact NH1-OD2 3.16Å; R290-D321 IonicContact NH2-OD2 2.76Å; R290-D321 PolarHBondContact NH2-OD2 3.44Å; R290-G331 WeakPolarHBondContact CB-O 3.33Å; R290-G331 PolarHBondContact N-O 2.95Å; R290-V333 HydrophobicContact CB-CG2 4.28Å; R290-V333 HydrophobicContact CG-CG2 4.44Å
291N85.3Confident89.6Confident101 Ų10157.9 Ų57.954%0.5431%0.313SS..Hα-helixtrans-67.5-26.3172.661.8-50.6000113.1P289P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 WeakPolarHBondContact CB-OD1 3.29Å; P289-N291 PolarHBondContact O-N 3.32Å
292L88Confident89.5Confident1 Ų164.3 Ų64.31%0.00534%0.34CS..Hα-helixtrans-96.4-24.3-180-55.6-178.9000113.2P289 R290 G294 K295 V296 I355 L358 N359P289-L292 HydrophobicContact CB-CB 4.49Å; P289-L292 HydrophobicContact CB-CD1 4.16Å; P289-L292 HydrophobicContact CB-CG 4.2Å; P289-L292 HydrophobicContact CG-CD1 4.1Å; P289-L292 CarbonylContact O-C 3.59Å; P289-L292 WeakPolarHBondContact O-CA 3.35Å; P289-L292 WeakPolarHBondContact O-CB 3.48Å; P289-L292 PolarHBondContact O-N 3.4Å; R290-L292 VanDerWaalsContact C-N 3.28Å; R290-L292 PolarHBondContact O-N 3.03Å; L292-G294 VanDerWaalsContact C-N 3.27Å; L292-G294 PolarHBondContact O-N 2.9Å; L292-G294 VanDerWaalsContact O-N 3.11Å; L292-K295 HydrophobicContact CD2-CD 4.01Å; L292-K295 CarbonylContact O-C 3.16Å; L292-K295 WeakPolarHBondContact O-CA 3.37Å; L292-K295 VanDerWaalsContact O-CB 3.3Å; L292-K295 WeakPolarHBondContact O-CB 3.28Å; L292-K295 PolarHBondContact O-N 2.89Å; L292-V296 HydrophobicContact CB-CG2 4.19Å; L292-V296 WeakPolarHBondContact O-CG2 3.33Å; L292-V296 PolarHBondContact O-N 3.17Å; L292-I355 HydrophobicContact CD1-CG2 3.85Å; L292-L358 HydrophobicContact CD2-CB 4.34Å; L292-N359 WeakPolarHBondContact CD1-OD1 3.48Å
293V88.6Confident89.5Confident22 Ų2263.9 Ų63.913%0.13334%0.338CS..Hα-helixtrans-45-47.7-178.4169.40000113.1V288 P289 K295 V296 I297 V333 F335V288-V293 HydrophobicContact CB-CG2 4.15Å; V288-V293 HydrophobicContact CG1-CG2 3.84Å; P289-V293 WeakPolarHBondContact O-CG2 3.37Å; P289-V293 PolarHBondContact O-N 3.47Å; V293-K295 VanDerWaalsContact C-N 3.28Å; V293-K295 PolarHBondContact O-N 2.9Å; V293-V296 PolarHBondContact O-N 2.97Å; V293-I297 HydrophobicContact CG1-CD1 3.66Å; V293-I297 HydrophobicContact CG1-CG1 4.43Å; V293-I297 WeakPolarHBondContact O-CB 3.39Å; V293-I297 VanDerWaalsContact O-CG1 3.25Å; V293-I297 WeakPolarHBondContact O-CG1 3.46Å; V293-I297 PolarHBondContact O-N 2.81Å; V293-V333 HydrophobicContact CG2-CB 3.83Å; V293-V333 HydrophobicContact CG2-CG1 4.33Å; V293-V333 HydrophobicContact CG2-CG2 3.94Å; V293-F335 HydrophobicContact CG1-CE1 4.15Å; V293-F335 HydrophobicContact CG1-CZ 4.09Å; V293-F335 HydrophobicContact CG2-CE1 3.98Å; V293-F335 HydrophobicContact CG2-CZ 4.41Å
294G88.1Confident89.5Confident58 Ų5862.6 Ų62.660%0.59833%0.332SS*.Hα-helixtrans-66.5-25.7178.700000114.6L292 G298L292-G294 VanDerWaalsContact C-N 3.27Å; L292-G294 PolarHBondContact O-N 2.9Å; L292-G294 VanDerWaalsContact O-N 3.11Å; G294-G298 PolarHBondContact O-N 2.68Å
295K88.8Confident89.4Confident67 Ų6764.6 Ų64.629%0.29134%0.34SS..Hα-helixtrans-80.7-45.4174.8-51.7177.6-171175.70111L292 V293 G298 L358 E362L292-K295 HydrophobicContact CD2-CD 4.01Å; L292-K295 CarbonylContact O-C 3.16Å; L292-K295 WeakPolarHBondContact O-CA 3.37Å; L292-K295 VanDerWaalsContact O-CB 3.3Å; L292-K295 WeakPolarHBondContact O-CB 3.28Å; L292-K295 PolarHBondContact O-N 2.89Å; V293-K295 VanDerWaalsContact C-N 3.28Å; V293-K295 PolarHBondContact O-N 2.9Å; K295-G298 VanDerWaalsContact O-CA 3.29Å; K295-G298 WeakPolarHBondContact O-CA 3.44Å; K295-G298 PolarHBondContact O-N 2.97Å; K295-L358 HydrophobicContact CB-CD1 3.64Å; K295-L358 HydrophobicContact CB-CD2 3.86Å; K295-L358 HydrophobicContact CB-CG 4.39Å; K295-L358 HydrophobicContact CD-CD1 4.43Å; K295-L358 HydrophobicContact CD-CD2 4.05Å; K295-E362 IonicContact NZ-OE1 2.7Å; K295-E362 PolarHBondContact NZ-OE1 2.95Å; K295-E362 IonicContact NZ-OE2 3.08Å; K295-E362 PolarHBondContact NZ-OE2 2.89Å
296V90.8Very high89.6Confident0 Ų066.3 Ų66.30%034%0.341CS..Hα-helixtrans-64.2-39.5179.5173.90000112.1V288 L292 V293 G298 V303 I304 F335 L351 I355 L358V288-V296 HydrophobicContact CG1-CB 4.37Å; V288-V296 HydrophobicContact CG1-CG1 4.46Å; V288-V296 HydrophobicContact CG1-CG2 3.98Å; L292-V296 HydrophobicContact CB-CG2 4.19Å; L292-V296 WeakPolarHBondContact O-CG2 3.33Å; L292-V296 PolarHBondContact O-N 3.17Å; V293-V296 PolarHBondContact O-N 2.97Å; V296-G298 VanDerWaalsContact C-N 3.32Å; V296-V303 WeakPolarHBondContact O-CB 3.02Å; V296-V303 WeakPolarHBondContact O-CG1 3.2Å; V296-I304 PolarHBondContact O-N 3.14Å; V296-F335 HydrophobicContact CG1-CE2 4.07Å; V296-F335 HydrophobicContact CG1-CZ 4.38Å; V296-L351 HydrophobicContact CG1-CD2 3.6Å; V296-I355 HydrophobicContact CG2-CG1 4.13Å; V296-L358 HydrophobicContact CG2-CD1 3.54Å
297I90.1Very high89.7Confident45 Ų4565.6 Ų65.623%0.23134%0.336CS..Hα-helixtrans-64.9-42169.2-67.6169.8000109.8V293 G301 V303 I304 I318 F335V293-I297 HydrophobicContact CG1-CD1 3.66Å; V293-I297 HydrophobicContact CG1-CG1 4.43Å; V293-I297 WeakPolarHBondContact O-CB 3.39Å; V293-I297 VanDerWaalsContact O-CG1 3.25Å; V293-I297 WeakPolarHBondContact O-CG1 3.46Å; V293-I297 PolarHBondContact O-N 2.81Å; I297-G301 CarbonylContact O-C 3.58Å; I297-G301 WeakPolarHBondContact O-CA 3.34Å; I297-V303 PolarHBondContact O-N 3.06Å; I297-I304 HydrophobicContact CB-CG2 4.39Å; I297-I304 HydrophobicContact CG2-CG2 4.16Å; I297-I304 PolarHBondContact O-N 3.42Å; I297-I318 HydrophobicContact CD1-CD1 3.7Å; I297-I318 HydrophobicContact CG1-CD1 3.67Å; I297-F335 HydrophobicContact CD1-CZ 4.33Å; I297-F335 HydrophobicContact CG1-CE2 4.2Å; I297-F335 HydrophobicContact CG1-CZ 3.99Å
298G89.9Confident89.9Confident17 Ų1760.7 Ų60.718%0.17532%0.315CS..  trans73.1175.6-178.900000113.3G294 K295 V296 N300 G301G294-G298 PolarHBondContact O-N 2.68Å; K295-G298 VanDerWaalsContact O-CA 3.29Å; K295-G298 WeakPolarHBondContact O-CA 3.44Å; K295-G298 PolarHBondContact O-N 2.97Å; V296-G298 VanDerWaalsContact C-N 3.32Å; G298-N300 PolarHBondContact O-N 3.31Å; G298-N300 VanDerWaalsContact O-N 3.1Å; G298-G301 PolarHBondContact O-N 3.12Å
299K90.3Very high90.1Very high185 Ų18566 Ų6680%0.80434%0.343SS*.G310 helixtrans-59.3118.1-178.2-64.6177.9-177.5174.90109.9G301 K302K299-G301 PolarHBondContact O-N 3.14Å; K299-K302 WeakPolarHBondContact O-CB 3.43Å; K299-K302 WeakPolarHBondContact O-CG 3.39Å; K299-K302 PolarHBondContact O-N 3.39Å
300N86.3Confident90.3Very high167 Ų16770.9 Ų70.989%0.89336%0.361SS*.G310 helixtrans56.727-176.5-54.6-3.3000114.9G298 K302G298-N300 PolarHBondContact O-N 3.31Å; G298-N300 VanDerWaalsContact O-N 3.1Å; N300-K302 VanDerWaalsContact C-N 3.31Å; N300-K302 PolarHBondContact O-N 3.23Å
301G89Confident90.7Very high19 Ų1964.6 Ų64.620%0.19634%0.338CS..G310 helixtrans79.26.7-179.900000115.2I297 G298 K299 V303 I304 Q305I297-G301 CarbonylContact O-C 3.58Å; I297-G301 WeakPolarHBondContact O-CA 3.34Å; G298-G301 PolarHBondContact O-N 3.12Å; K299-G301 PolarHBondContact O-N 3.14Å; G301-V303 VanDerWaalsContact C-N 3.31Å; G301-V303 PolarHBondContact O-N 3.25Å; G301-I304 VanDerWaalsContact O-CG2 3.26Å; G301-I304 WeakPolarHBondContact O-CG2 3.44Å; G301-Q305 WeakPolarHBondContact O-CB 3.19Å; G301-Q305 PolarHBondContact O-N 3.05Å
302K92.3Very high90.9Very high156 Ų15662.1 Ų62.168%0.67834%0.336SS*.Hα-helixtrans-57.9-38.2-175.4-78.4-171.4170.5-160.40114.2K299 N300 E306K299-K302 WeakPolarHBondContact O-CB 3.43Å; K299-K302 WeakPolarHBondContact O-CG 3.39Å; K299-K302 PolarHBondContact O-N 3.39Å; N300-K302 VanDerWaalsContact C-N 3.31Å; N300-K302 PolarHBondContact O-N 3.23Å; K302-E306 WeakPolarHBondContact O-CB 3.35Å; K302-E306 PolarHBondContact O-N 2.79Å
303V92.9Very high91.2Very high39 Ų3962.5 Ų62.524%0.23634%0.338CS..Hα-helixtrans-78-42.9-173.5178.90000110.6V296 I297 G301 Q305 E306 I307V296-V303 WeakPolarHBondContact O-CB 3.02Å; V296-V303 WeakPolarHBondContact O-CG1 3.2Å; I297-V303 PolarHBondContact O-N 3.06Å; G301-V303 VanDerWaalsContact C-N 3.31Å; G301-V303 PolarHBondContact O-N 3.25Å; V303-Q305 VanDerWaalsContact C-N 3.29Å; V303-Q305 PolarHBondContact O-N 3.36Å; V303-E306 PolarHBondContact O-N 3.17Å; V303-I307 HydrophobicContact CG1-CD1 4.37Å; V303-I307 WeakPolarHBondContact O-CG1 3.35Å; V303-I307 PolarHBondContact O-N 3.37Å
304I92.3Very high91.2Very high13 Ų1365.5 Ų65.57%0.06736%0.356CS..Hα-helixtrans-66-32.5173.3-172.860.6000112V296 I297 G301 I307 V308 V316 F335 F337V296-I304 PolarHBondContact O-N 3.14Å; I297-I304 HydrophobicContact CB-CG2 4.39Å; I297-I304 HydrophobicContact CG2-CG2 4.16Å; I297-I304 PolarHBondContact O-N 3.42Å; G301-I304 VanDerWaalsContact O-CG2 3.26Å; G301-I304 WeakPolarHBondContact O-CG2 3.44Å; I304-I307 PolarHBondContact O-N 3.35Å; I304-V308 WeakPolarHBondContact O-CG2 3.25Å; I304-V308 PolarHBondContact O-N 2.79Å; I304-V316 HydrophobicContact CG1-CG1 4.37Å; I304-F335 HydrophobicContact CD1-CD2 3.99Å; I304-F335 HydrophobicContact CD1-CE2 4.08Å; I304-F335 HydrophobicContact CG1-CE2 4.4Å; I304-F337 HydrophobicContact CD1-CE1 4.06Å; I304-F337 HydrophobicContact CD1-CZ 3.92Å
305Q92.6Very high91.3Very high99 Ų9966 Ų6646%0.46334%0.34SS..Hα-helixtrans-65.2-44.6171.2-1706455.600111.5G301 V303 I307 V308 D309G301-Q305 WeakPolarHBondContact O-CB 3.19Å; G301-Q305 PolarHBondContact O-N 3.05Å; V303-Q305 VanDerWaalsContact C-N 3.29Å; V303-Q305 PolarHBondContact O-N 3.36Å; Q305-I307 VanDerWaalsContact C-N 3.27Å; Q305-I307 PolarHBondContact O-N 3.42Å; Q305-V308 WeakPolarHBondContact O-CB 3.42Å; Q305-V308 PolarHBondContact O-N 3.28Å; Q305-V308 VanDerWaalsContact O-N 3.1Å; Q305-D309 PolarHBondContact NE2-OD1 3.31Å; Q305-D309 WeakPolarHBondContact O-CB 3.48Å; Q305-D309 PolarHBondContact O-N 3.5Å
306E92.7Very high91.4Very high96 Ų9665 Ų6545%0.44934%0.34SS..Hα-helixtrans-60.2-35.5175.8-174.5-179.8166.100112.6K302 V303 K310K302-E306 WeakPolarHBondContact O-CB 3.35Å; K302-E306 PolarHBondContact O-N 2.79Å; V303-E306 PolarHBondContact O-N 3.17Å; E306-K310 HydrophobicContact CG-CD 4.23Å; E306-K310 WeakPolarHBondContact O-CB 3.47Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.43Å; E306-K310 PolarHBondContact O-N 2.93Å; E306-K310 VanDerWaalsContact OE1-CE 3.31Å; E306-K310 WeakPolarHBondContact OE1-CE 3.34Å; E306-K310 IonicContact OE1-NZ 3.21Å; E306-K310 PolarHBondContact OE1-NZ 3.08Å
307I93.1Very high91.3Very high11 Ų1171.9 Ų71.96%0.05637%0.366CS..Hα-helixtrans-68.5-41.8173.2-68169.7000111.3V303 I304 Q305 S311 L350 L351 H354V303-I307 HydrophobicContact CG1-CD1 4.37Å; V303-I307 WeakPolarHBondContact O-CG1 3.35Å; V303-I307 PolarHBondContact O-N 3.37Å; I304-I307 PolarHBondContact O-N 3.35Å; Q305-I307 VanDerWaalsContact C-N 3.27Å; Q305-I307 PolarHBondContact O-N 3.42Å; I307-S311 VanDerWaalsContact O-CB 3.31Å; I307-S311 WeakPolarHBondContact O-CB 3.48Å; I307-S311 PolarHBondContact O-N 3.12Å; I307-S311 VanDerWaalsContact O-N 3.08Å; I307-S311 PolarHBondContact O-OG 2.9Å; I307-L350 HydrophobicContact CG1-CB 4.48Å; I307-L350 HydrophobicContact CG2-CB 4.01Å; I307-L350 HydrophobicContact CG2-CD1 4.39Å; I307-L351 HydrophobicContact CD1-CD2 3.87Å; I307-L351 HydrophobicContact CG2-CG 4.44Å; I307-H354 HydrophobicContact CD1-CB 4.47Å
308V93.5Very high91.2Very high15 Ų1572.8 Ų72.89%0.09137%0.37CS..Hα-helixtrans-62.7-47.4174.8165.50000111.1I304 Q305 K310 S311 G312 V313 V316 F337I304-V308 WeakPolarHBondContact O-CG2 3.25Å; I304-V308 PolarHBondContact O-N 2.79Å; Q305-V308 WeakPolarHBondContact O-CB 3.42Å; Q305-V308 PolarHBondContact O-N 3.28Å; Q305-V308 VanDerWaalsContact O-N 3.1Å; V308-K310 PolarHBondContact O-N 2.79Å; V308-S311 PolarHBondContact O-N 2.97Å; V308-S311 PolarHBondContact O-OG 3.2Å; V308-S311 VanDerWaalsContact O-OG 3.1Å; V308-G312 PolarHBondContact O-N 3.06Å; V308-V313 HydrophobicContact CB-CG2 4.14Å; V308-V313 HydrophobicContact CG1-CG2 3.95Å; V308-V313 HydrophobicContact CG2-CG2 3.86Å; V308-V316 HydrophobicContact CG2-CB 4.18Å; V308-V316 HydrophobicContact CG2-CG1 3.97Å; V308-F337 HydrophobicContact CG2-CE1 4.33Å
309D92.9Very high90.5Very high111 Ų11176.2 Ų76.259%0.59438%0.382SS*.Hα-helixtrans-64.2-38.5-178.3-64.3-14.8000111.8Q305Q305-D309 PolarHBondContact NE2-OD1 3.31Å; Q305-D309 WeakPolarHBondContact O-CB 3.48Å; Q305-D309 PolarHBondContact O-N 3.5Å
310K93.6Very high89.2Confident131 Ų13169.1 Ų69.157%0.5736%0.362SS*.Hα-helixtrans-75.3-28.7177-74176.2-173.7173.70114.3E306 V308 L350E306-K310 HydrophobicContact CG-CD 4.23Å; E306-K310 WeakPolarHBondContact O-CB 3.47Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.43Å; E306-K310 PolarHBondContact O-N 2.93Å; E306-K310 VanDerWaalsContact OE1-CE 3.31Å; E306-K310 WeakPolarHBondContact OE1-CE 3.34Å; E306-K310 IonicContact OE1-NZ 3.21Å; E306-K310 PolarHBondContact OE1-NZ 3.08Å; V308-K310 PolarHBondContact O-N 2.79Å; K310-L350 HydrophobicContact CB-CD1 3.79Å
311S93.3Very high87.9Confident4 Ų466.3 Ų66.33%0.02835%0.346CS..Hα-helixtrans-90.3-23.5-178.254.90000113.8I307 V308 S343 V347I307-S311 VanDerWaalsContact O-CB 3.31Å; I307-S311 WeakPolarHBondContact O-CB 3.48Å; I307-S311 PolarHBondContact O-N 3.12Å; I307-S311 VanDerWaalsContact O-N 3.08Å; I307-S311 PolarHBondContact O-OG 2.9Å; V308-S311 PolarHBondContact O-N 2.97Å; V308-S311 PolarHBondContact O-OG 3.2Å; V308-S311 VanDerWaalsContact O-OG 3.1Å; S311-S343 WeakPolarHBondContact O-CA 3.43Å; S311-S343 WeakPolarHBondContact O-CB 3.4Å; S311-S343 PolarHBondContact O-OG 2.92Å; S311-V347 VanDerWaalsContact CB-CG2 3.46Å; S311-V347 WeakPolarHBondContact OG-CG2 3.42Å
312G90.9Very high86.1Confident48 Ų4872.4 Ų72.450%0.49538%0.375SS..THydrogen-bonded Turntrans79.114.2-178.500000114.6V308V308-G312 PolarHBondContact O-N 3.06Å
313V92.6Very high84.3Confident9 Ų970.4 Ų70.46%0.05537%0.371CS..  trans-68.4141.2175.9-66.50000111.9V308 F337 V338 I344 V347V308-V313 HydrophobicContact CB-CG2 4.14Å; V308-V313 HydrophobicContact CG1-CG2 3.95Å; V308-V313 HydrophobicContact CG2-CG2 3.86Å; V313-F337 HydrophobicContact CG2-CD1 3.98Å; V313-V338 CarbonylContact C-O 3.58Å; V313-I344 HydrophobicContact CG1-CD1 4.14Å; V313-V347 HydrophobicContact CB-CG2 4.36Å; V313-V347 HydrophobicContact CG1-CG2 3.52Å; V313-V347 HydrophobicContact CG2-CG2 3.9Å
314V89.3Confident82.3Confident85 Ų8576.7 Ų76.752%0.51540%0.404SS..SBendtrans-72.6-33.6-174.6-178.90000112.2L232 F281 V338L232-V314 HydrophobicContact CD1-CG1 4.37Å; L232-V314 HydrophobicContact CD2-CG1 4.27Å; F281-V314 HydrophobicContact CE1-CG2 4.03Å; V314-V338 WeakPolarHBondContact CA-O 3.3Å; V314-V338 PolarHBondContact N-O 2.78Å
315R89.8Confident80.5Confident68 Ų6884.2 Ų84.226%0.25744%0.436SS..EExtended strand (participates in β ladder)trans-157.1152.9174.358.7170.8174.983.3-9.4113E283 F337 V338E283-R315 IonicContact OE1-CZ 2.68Å; E283-R315 IonicContact OE1-NH1 2.68Å; E283-R315 PolarHBondContact OE1-NH1 3.05Å; E283-R315 IonicContact OE1-NH2 3.63Å; E283-R315 PolarHBondContact OE1-NH2 3.34Å; R315-F337 WeakPolarHBondContact O-CA 3.39Å; R315-V338 HydrophobicContact CG-CB 3.82Å; R315-V338 HydrophobicContact CG-CG2 4.46Å; R315-V338 PolarHBondContact N-O 3.48Å; R315-V338 VanDerWaalsContact NH1-CG2 3.35Å; R315-V338 PolarHBondContact O-N 3.3Å
316V92.2Very high78.3Confident46 Ų4688 Ų8828%0.27945%0.453SS..EExtended strand (participates in β ladder)trans-113.2144162.461.80000110I304 V308 I318 T336 F337I304-V316 HydrophobicContact CG1-CG1 4.37Å; V308-V316 HydrophobicContact CG2-CB 4.18Å; V308-V316 HydrophobicContact CG2-CG1 3.97Å; V316-I318 HydrophobicContact CG2-CG1 4.15Å; V316-T336 CarbonylContact C-O 3.54Å; V316-F337 HydrophobicContact CB-CD1 3.7Å; V316-F337 HydrophobicContact CB-CE1 3.61Å; V316-F337 HydrophobicContact CB-CZ 4.46Å; V316-F337 HydrophobicContact CG2-CD1 3.71Å; V316-F337 HydrophobicContact CG2-CE1 3.32Å; V316-F337 HydrophobicContact CG2-CE2 4.37Å; V316-F337 HydrophobicContact CG2-CG 4.39Å; V316-F337 HydrophobicContact CG2-CZ 3.69Å
317R88.9Confident76.2Confident146 Ų14689.8 Ų89.855%0.55147%0.473SS*.EExtended strand (participates in β ladder)trans-127.2120.1167.1-70.5179.7175.3161.6-3.1107.8E283 T336E283-R317 IonicContact OE1-NH1 3.92Å; R317-T336 PolarHBondContact N-O 2.78Å; R317-T336 PolarHBondContact O-N 3.48Å
318I87.4Confident74.5Confident64 Ų6492.8 Ų92.833%0.32848%0.484SS..EExtended strand (participates in β ladder)trans-96.9116.9176.1-56.7176.9000107I297 V316 G320 V333 F335I297-I318 HydrophobicContact CD1-CD1 3.7Å; I297-I318 HydrophobicContact CG1-CD1 3.67Å; V316-I318 HydrophobicContact CG2-CG1 4.15Å; I318-G320 PolarHBondContact O-N 3.03Å; I318-V333 HydrophobicContact CG2-CG1 4.21Å; I318-F335 HydrophobicContact CD1-CD2 4.01Å; I318-F335 HydrophobicContact CD1-CE1 4.47Å; I318-F335 HydrophobicContact CD1-CE2 3.57Å; I318-F335 HydrophobicContact CD1-CZ 3.84Å; I318-F335 HydrophobicContact CG1-CD1 4.37Å; I318-F335 HydrophobicContact CG1-CD2 3.85Å; I318-F335 HydrophobicContact CG1-CE1 4.4Å; I318-F335 HydrophobicContact CG1-CE2 3.92Å; I318-F335 HydrophobicContact CG1-CG 4.09Å; I318-F335 HydrophobicContact CG1-CZ 4.2Å; I318-F335 HydrophobicContact CG2-CD1 3.94Å; I318-F335 HydrophobicContact CG2-CE1 3.67Å; I318-F335 HydrophobicContact CG2-CZ 4.04Å
319E75.3Confident72.6Confident88 Ų8899.2 Ų99.241%0.41151%0.513SS..  trans-82.2107-174.1-147.8179-116.100110.5R328 V333 P334E319-R328 IonicContact OE2-CZ 3.64Å; E319-R328 IonicContact OE2-NE 2.68Å; E319-R328 IonicContact OE2-NH2 3.42Å; E319-R328 PolarHBondContact OE2-NH2 3.02Å; E319-V333 WeakPolarHBondContact O-CG1 3.43Å; E319-P334 HydrophobicContact CB-CG 3.88Å; E319-P334 PolarHBondContact N-O 3.05Å; E319-P334 VanDerWaalsContact N-O 3.13Å
320G63.5Low70.9Confident37 Ų37103.7 Ų103.738%0.38153%0.53SS..  trans-66.5169.4-176.400000113.7I318 N322 R328I318-G320 PolarHBondContact O-N 3.03Å; G320-N322 PolarHBondContact O-N 2.77Å; G320-R328 PolarHBondContact O-NH1 2.81Å; G320-R328 PolarHBondContact O-NH2 2.99Å
321D57.1Low69.9Low107 Ų10799.1 Ų99.157%0.57252%0.521SS*.THydrogen-bonded Turntrans-7515.3179-143.547000113.9R290 R328R290-D321 IonicContact CZ-OD1 3.44Å; R290-D321 IonicContact CZ-OD2 3.81Å; R290-D321 IonicContact NH1-OD1 2.82Å; R290-D321 PolarHBondContact NH1-OD1 3.38Å; R290-D321 IonicContact NH1-OD2 2.7Å; R290-D321 PolarHBondContact NH1-OD2 3.16Å; R290-D321 IonicContact NH2-OD2 2.76Å; R290-D321 PolarHBondContact NH2-OD2 3.44Å; D321-R328 IonicContact OD1-NH1 2.72Å
322N52.3Low69.4Low148 Ų148102.6 Ų102.679%0.79154%0.537SS*.THydrogen-bonded Turntrans-118.7-3.7-163.4-153.636.2000113.8G320G320-N322 PolarHBondContact O-N 2.77Å
323D53.6Low69.1Low113 Ų113101 Ų10160%0.60452%0.518SS*.  trans-97.7106175.9-81.9-67.2000110.2K325D323-K325 PolarHBondContact O-N 3.33Å
324N51Low69Low172 Ų172101.8 Ų101.892%0.9252%0.523SS*.  trans-74.259.7-171.5-101.1-41.4000113.5
325K56Low69.2Low171 Ų17197.8 Ų97.874%0.74350%0.499SS*.  trans-135.9116.5177.4-68.5-177.7-177.7171.90111.7D323D323-K325 PolarHBondContact O-N 3.33Å
326Q45.9Very low69.3Low178 Ų17895.7 Ų95.783%0.83249%0.494SS*.SBendtrans72.9142.8174.2-62.1160.1-25.100115.6R328Q326-R328 PolarHBondContact O-N 3.28Å; Q326-R328 VanDerWaalsContact O-N 3.13Å
327P48.6Very low69.4Low134 Ų13493.6 Ų93.687%0.8748%0.481SS*.  trans-73.9103.317830.1-33.1000109.7
328R56.6Low69.6Low74 Ų7486.6 Ų86.628%0.27945%0.454SS..  trans-66.8149173.8-66.6-179.3177.8152.3-3.2110.4E319 G320 D321 Q326 E330E319-R328 IonicContact OE2-CZ 3.64Å; E319-R328 IonicContact OE2-NE 2.68Å; E319-R328 IonicContact OE2-NH2 3.42Å; E319-R328 PolarHBondContact OE2-NH2 3.02Å; G320-R328 PolarHBondContact O-NH1 2.81Å; G320-R328 PolarHBondContact O-NH2 2.99Å; D321-R328 IonicContact OD1-NH1 2.72Å; Q326-R328 PolarHBondContact O-N 3.28Å; Q326-R328 VanDerWaalsContact O-N 3.13Å; R328-E330 PolarHBondContact O-N 3.08Å
329Q53Low70Confident150 Ų15083.6 Ų83.670%0.70144%0.439SS*.  trans-62.1130.5167.2-68.2-178.5-1.500109.1G331 M332Q329-G331 PolarHBondContact O-N 3.06Å; Q329-M332 PolarHBondContact O-N 3.18Å
330E58.5Low70.9Confident205 Ų20580.6 Ų80.696%0.95843%0.427SS*.THydrogen-bonded Turntrans-63.6103-166.8-63.6-176131.900111.6R328R328-E330 PolarHBondContact O-N 3.08Å
331G72.9Confident72.3Confident35 Ų3583.8 Ų83.836%0.36143%0.43SS..THydrogen-bonded Turntrans112.21.3175.200000116.6R290 Q329R290-G331 WeakPolarHBondContact CB-O 3.33Å; R290-G331 PolarHBondContact N-O 2.95Å; Q329-G331 PolarHBondContact O-N 3.06Å
332M81Confident73.9Confident76 Ų7684.2 Ų84.237%0.37443%0.429SS..EExtended strand (participates in β ladder)trans-102.9142.7172.5-66.4-61-178.800112.6Q287 P289 Q329Q287-M332 HydrophobicContact CB-CB 4.48Å; P289-M332 HydrophobicContact CB-SD 4.28Å; P289-M332 HydrophobicContact CG-CE 4.16Å; P289-M332 HydrophobicContact CG-SD 3.96Å; Q329-M332 PolarHBondContact O-N 3.18Å
333V86.3Confident75.9Confident16 Ų1678 Ų7810%0.09740%0.397CS..EExtended strand (participates in β ladder)trans-124.7122.8178.3178.10000109.6V288 R290 V293 I318 E319 F335V288-V333 PolarHBondContact N-O 2.8Å; V288-V333 PolarHBondContact O-N 2.8Å; R290-V333 HydrophobicContact CB-CG2 4.28Å; R290-V333 HydrophobicContact CG-CG2 4.44Å; V293-V333 HydrophobicContact CG2-CB 3.83Å; V293-V333 HydrophobicContact CG2-CG1 4.33Å; V293-V333 HydrophobicContact CG2-CG2 3.94Å; I318-V333 HydrophobicContact CG2-CG1 4.21Å; E319-V333 WeakPolarHBondContact O-CG1 3.43Å; V333-F335 HydrophobicContact CG1-CD1 4.35Å; V333-F335 HydrophobicContact CG1-CE1 4.16Å
334P90.1Very high77.8Confident25 Ų2573 Ų7316%0.16237%0.37CS..EExtended strand (participates in β ladder)trans-79.6129.9178.930.4-31000111.7E319E319-P334 HydrophobicContact CB-CG 3.88Å; E319-P334 PolarHBondContact N-O 3.05Å; E319-P334 VanDerWaalsContact N-O 3.13Å
335F92.4Very high79.9Confident0 Ų066 Ų660%034%0.338CS..EExtended strand (participates in β ladder)trans-103.4106.3169.5-77.243.8000107.2S285 V286 V288 V293 V296 I297 I304 I318 V333 F337S285-F335 WeakPolarHBondContact CA-O 3.49Å; V286-F335 PolarHBondContact N-O 2.96Å; V286-F335 PolarHBondContact O-N 2.85Å; V288-F335 HydrophobicContact CB-CD1 3.96Å; V288-F335 HydrophobicContact CB-CE1 3.78Å; V288-F335 HydrophobicContact CB-CZ 4.37Å; V288-F335 HydrophobicContact CG1-CE1 4.25Å; V288-F335 HydrophobicContact CG1-CZ 4.42Å; V288-F335 HydrophobicContact CG2-CB 4.44Å; V288-F335 HydrophobicContact CG2-CD1 3.56Å; V288-F335 HydrophobicContact CG2-CD2 4.28Å; V288-F335 HydrophobicContact CG2-CE1 3.76Å; V288-F335 HydrophobicContact CG2-CE2 4.43Å; V288-F335 HydrophobicContact CG2-CG 3.86Å; V288-F335 HydrophobicContact CG2-CZ 4.19Å; V293-F335 HydrophobicContact CG1-CE1 4.15Å; V293-F335 HydrophobicContact CG1-CZ 4.09Å; V293-F335 HydrophobicContact CG2-CE1 3.98Å; V293-F335 HydrophobicContact CG2-CZ 4.41Å; V296-F335 HydrophobicContact CG1-CE2 4.07Å; V296-F335 HydrophobicContact CG1-CZ 4.38Å; I297-F335 HydrophobicContact CD1-CZ 4.33Å; I297-F335 HydrophobicContact CG1-CE2 4.2Å; I297-F335 HydrophobicContact CG1-CZ 3.99Å; I304-F335 HydrophobicContact CD1-CD2 3.99Å; I304-F335 HydrophobicContact CD1-CE2 4.08Å; I304-F335 HydrophobicContact CG1-CE2 4.4Å; I318-F335 HydrophobicContact CD1-CD2 4.01Å; I318-F335 HydrophobicContact CD1-CE1 4.47Å; I318-F335 HydrophobicContact CD1-CE2 3.57Å; I318-F335 HydrophobicContact CD1-CZ 3.84Å; I318-F335 HydrophobicContact CG1-CD1 4.37Å; I318-F335 HydrophobicContact CG1-CD2 3.85Å; I318-F335 HydrophobicContact CG1-CE1 4.4Å; I318-F335 HydrophobicContact CG1-CE2 3.92Å; I318-F335 HydrophobicContact CG1-CG 4.09Å; I318-F335 HydrophobicContact CG1-CZ 4.2Å; I318-F335 HydrophobicContact CG2-CD1 3.94Å; I318-F335 HydrophobicContact CG2-CE1 3.67Å; I318-F335 HydrophobicContact CG2-CZ 4.04Å; V333-F335 HydrophobicContact CG1-CD1 4.35Å; V333-F335 HydrophobicContact CG1-CE1 4.16Å; F335-F337 HydrophobicContact CB-CD2 4.34Å; F335-F337 HydrophobicContact CB-CE2 3.47Å; F335-F337 VanDerWaalsContact CB-CE2 3.47Å; F335-F337 HydrophobicContact CB-CZ 3.93Å; F335-F337 HydrophobicContact CD2-CZ 4.17Å; F335-F337 WeakPolarHBondContact O-CD2 3.47Å; F335-F337 VanDerWaalsContact O-CE2 3.28Å; F335-F337 WeakPolarHBondContact O-CE2 3.21Å
336T92Very high81.7Confident24 Ų2461.4 Ų61.415%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-93.1115.3-175.6-57.80000110.6E283 D284 V316 R317E283-T336 HydrophobicContact CG-CG2 3.54Å; D284-T336 CarbonylContact O-C 3.47Å; D284-T336 WeakPolarHBondContact O-CA 3.11Å; V316-T336 CarbonylContact C-O 3.54Å; R317-T336 PolarHBondContact N-O 2.78Å; R317-T336 PolarHBondContact O-N 3.48Å
337F94.5Very high84Confident2 Ų253 Ų531%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-106.2151.8-178.3-62.7-89.9000111.3E283 D284 V286 I304 V308 V313 R315 V316 F335 I344 V347 L351E283-F337 WeakPolarHBondContact CA-O 3.19Å; D284-F337 PolarHBondContact N-O 3.27Å; D284-F337 VanDerWaalsContact N-O 3.11Å; D284-F337 PolarHBondContact O-N 2.94Å; V286-F337 HydrophobicContact CB-CE2 4.36Å; V286-F337 HydrophobicContact CG2-CD2 4.26Å; V286-F337 HydrophobicContact CG2-CE2 4.22Å; I304-F337 HydrophobicContact CD1-CE1 4.06Å; I304-F337 HydrophobicContact CD1-CZ 3.92Å; V308-F337 HydrophobicContact CG2-CE1 4.33Å; V313-F337 HydrophobicContact CG2-CD1 3.98Å; R315-F337 WeakPolarHBondContact O-CA 3.39Å; V316-F337 HydrophobicContact CB-CD1 3.7Å; V316-F337 HydrophobicContact CB-CE1 3.61Å; V316-F337 HydrophobicContact CB-CZ 4.46Å; V316-F337 HydrophobicContact CG2-CD1 3.71Å; V316-F337 HydrophobicContact CG2-CE1 3.32Å; V316-F337 HydrophobicContact CG2-CE2 4.37Å; V316-F337 HydrophobicContact CG2-CG 4.39Å; V316-F337 HydrophobicContact CG2-CZ 3.69Å; F335-F337 HydrophobicContact CB-CD2 4.34Å; F335-F337 HydrophobicContact CB-CE2 3.47Å; F335-F337 VanDerWaalsContact CB-CE2 3.47Å; F335-F337 HydrophobicContact CB-CZ 3.93Å; F335-F337 HydrophobicContact CD2-CZ 4.17Å; F335-F337 WeakPolarHBondContact O-CD2 3.47Å; F335-F337 VanDerWaalsContact O-CE2 3.28Å; F335-F337 WeakPolarHBondContact O-CE2 3.21Å; F337-I344 HydrophobicContact CB-CD1 3.57Å; F337-V347 HydrophobicContact CD1-CG1 3.93Å; F337-V347 HydrophobicContact CD1-CG2 4.03Å; F337-V347 HydrophobicContact CD2-CG1 3.62Å; F337-V347 HydrophobicContact CE1-CG1 3.75Å; F337-V347 HydrophobicContact CE1-CG2 4.26Å; F337-V347 HydrophobicContact CE2-CG1 3.45Å; F337-V347 VanDerWaalsContact CE2-CG1 3.45Å; F337-V347 HydrophobicContact CG-CG1 3.85Å; F337-V347 HydrophobicContact CG-CG2 4.35Å; F337-V347 HydrophobicContact CZ-CG1 3.52Å; F337-L351 HydrophobicContact CE2-CD1 3.65Å; F337-L351 HydrophobicContact CZ-CD1 3.75Å
338V94.2Very high86.1Confident0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-132.4129.6170.4166.70000110.3L229 L232 V282 E283 V313 V314 R315L229-V338 HydrophobicContact CD2-CG1 3.67Å; L229-V338 HydrophobicContact CD2-CG2 4.16Å; L232-V338 HydrophobicContact CD1-CG1 3.82Å; V282-V338 WeakPolarHBondContact O-CA 3.36Å; E283-V338 HydrophobicContact CB-CG2 3.54Å; E283-V338 HydrophobicContact CG-CG2 3.52Å; E283-V338 WeakPolarHBondContact OE1-CG2 3.09Å; V313-V338 CarbonylContact C-O 3.58Å; V314-V338 WeakPolarHBondContact CA-O 3.3Å; V314-V338 PolarHBondContact N-O 2.78Å; R315-V338 HydrophobicContact CG-CB 3.82Å; R315-V338 HydrophobicContact CG-CG2 4.46Å; R315-V338 PolarHBondContact N-O 3.48Å; R315-V338 VanDerWaalsContact NH1-CG2 3.35Å; R315-V338 PolarHBondContact O-N 3.3Å
339G94.5Very high88Confident0 Ų051.7 Ų51.70%027%0.274CS..EExtended strand (participates in β ladder)trans-173.1-165.4176.200000109.8F281 V282F281-G339 WeakPolarHBondContact CA-O 3.47Å; F281-G339 VanDerWaalsContact CD1-C 3.42Å; F281-G339 WeakPolarHBondContact CD1-O 3.36Å; V282-G339 PolarHBondContact N-O 2.77Å; V282-G339 PolarHBondContact O-N 2.82Å
340T93.8Very high89.9Confident25 Ų2546.9 Ų46.915%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-67154.816362.80000109.3S277 E280 F281 E342 S343 I344S277-T340 WeakPolarHBondContact O-CB 3.37Å; S277-T340 VanDerWaalsContact O-CG2 3.29Å; S277-T340 WeakPolarHBondContact O-CG2 3.47Å; E280-T340 WeakPolarHBondContact O-CA 3.38Å; F281-T340 HydrophobicContact CD2-CG2 4.35Å; F281-T340 HydrophobicContact CE1-CG2 4.11Å; F281-T340 HydrophobicContact CE2-CG2 3.89Å; F281-T340 HydrophobicContact CZ-CG2 3.75Å; T340-E342 PolarHBondContact O-N 2.61Å; T340-E342 VanDerWaalsContact O-N 3.16Å; T340-S343 WeakPolarHBondContact O-CB 3.32Å; T340-S343 PolarHBondContact O-N 2.62Å; T340-S343 PolarHBondContact OG1-N 3.21Å; T340-S343 PolarHBondContact OG1-OG 3.45Å; T340-I344 WeakPolarHBondContact O-CG1 3.47Å; T340-I344 PolarHBondContact O-N 2.76Å
341K92.9Very high91.6Very high104 Ų10437.1 Ų37.145%0.45221%0.207SC..Hα-helixtrans-54.1-32.8176.9-172.4174.9-176.61770113.9E280 V282 I344 G345E280-K341 VanDerWaalsContact CD-NZ 3.29Å; E280-K341 HydrophobicContact CG-CB 4.31Å; E280-K341 HydrophobicContact CG-CD 4.08Å; E280-K341 PolarHBondContact O-N 3.48Å; E280-K341 WeakPolarHBondContact OE1-CD 3.47Å; E280-K341 IonicContact OE1-NZ 2.61Å; E280-K341 PolarHBondContact OE1-NZ 2.98Å; E280-K341 WeakPolarHBondContact OE2-CD 3.31Å; E280-K341 IonicContact OE2-NZ 3.84Å; E280-K341 PolarHBondContact OE2-NZ 2.94Å; E280-K341 VanDerWaalsContact OE2-NZ 3.16Å; V282-K341 HydrophobicContact CG2-CB 4.15Å; K341-I344 PolarHBondContact O-N 3.23Å; K341-G345 PolarHBondContact O-N 2.9Å
342E92.4Very high92.5Very high117 Ų11742.1 Ų42.155%0.54722%0.221SC..Hα-helixtrans-67.1-47.3175.1-168.9171171.400111.4S277 T340 I344 G345 N346S277-E342 WeakPolarHBondContact CB-OE2 3.41Å; S277-E342 PolarHBondContact OG-OE2 3.03Å; T340-E342 PolarHBondContact O-N 2.61Å; T340-E342 VanDerWaalsContact O-N 3.16Å; E342-I344 VanDerWaalsContact C-N 3.31Å; E342-I344 PolarHBondContact O-N 3.25Å; E342-G345 PolarHBondContact O-N 3.2Å; E342-N346 PolarHBondContact O-N 2.82Å; E342-N346 PolarHBondContact O-ND2 2.87Å
343S94.2Very high93.2Very high17 Ų1746.6 Ų46.612%0.11924%0.235CC..Hα-helixtrans-61.9-34.9172.8-70.80000113.4S311 T340 N346 V347S311-S343 WeakPolarHBondContact O-CA 3.43Å; S311-S343 WeakPolarHBondContact O-CB 3.4Å; S311-S343 PolarHBondContact O-OG 2.92Å; T340-S343 WeakPolarHBondContact O-CB 3.32Å; T340-S343 PolarHBondContact O-N 2.62Å; T340-S343 PolarHBondContact OG1-N 3.21Å; T340-S343 PolarHBondContact OG1-OG 3.45Å; S343-N346 PolarHBondContact O-N 2.82Å; S343-V347 PolarHBondContact O-N 3.46Å
344I93.7Very high93.5Very high9 Ų947.5 Ų47.55%0.04624%0.238CC..Hα-helixtrans-64.7-43.9173.4-64-66.4000111D284 V313 F337 T340 K341 E342 N346 V347 Q348D284-I344 HydrophobicContact CB-CG2 3.83Å; V313-I344 HydrophobicContact CG1-CD1 4.14Å; F337-I344 HydrophobicContact CB-CD1 3.57Å; T340-I344 WeakPolarHBondContact O-CG1 3.47Å; T340-I344 PolarHBondContact O-N 2.76Å; K341-I344 PolarHBondContact O-N 3.23Å; E342-I344 VanDerWaalsContact C-N 3.31Å; E342-I344 PolarHBondContact O-N 3.25Å; I344-N346 VanDerWaalsContact C-N 3.32Å; I344-N346 PolarHBondContact O-N 3.47Å; I344-V347 WeakPolarHBondContact O-CB 3.4Å; I344-V347 PolarHBondContact O-N 3.04Å; I344-V347 VanDerWaalsContact O-N 3.16Å; I344-Q348 PolarHBondContact O-N 3.45Å
345G93.9Very high93.6Very high24 Ų2447.5 Ų47.525%0.24724%0.237CC..Hα-helixtrans-59.6-41.3173.400000112.6K341 E342 V347 Q348 V349K341-G345 PolarHBondContact O-N 2.9Å; E342-G345 PolarHBondContact O-N 3.2Å; G345-V347 VanDerWaalsContact C-N 3.32Å; G345-V347 PolarHBondContact O-N 2.84Å; G345-Q348 PolarHBondContact O-N 2.93Å; G345-V349 PolarHBondContact O-N 2.81Å; G345-V349 VanDerWaalsContact O-N 3.14Å
346N94.3Very high93.6Very high74 Ų7450.4 Ų50.440%0.39626%0.257SS..Hα-helixtrans-61.6-38.3174.7-65.6-24.5000112.2E342 S343 I344 L350E342-N346 PolarHBondContact O-N 2.82Å; E342-N346 PolarHBondContact O-ND2 2.87Å; S343-N346 PolarHBondContact O-N 2.82Å; I344-N346 VanDerWaalsContact C-N 3.32Å; I344-N346 PolarHBondContact O-N 3.47Å; N346-L350 WeakPolarHBondContact O-CB 3.28Å; N346-L350 WeakPolarHBondContact O-CD1 3.42Å; N346-L350 WeakPolarHBondContact O-CG 3.44Å; N346-L350 PolarHBondContact O-N 2.84Å
347V94.8Very high93.6Very high1 Ų154.9 Ų54.91%0.00627%0.272CS..Hα-helixtrans-63-44.7172.7168.10000111.9V286 S311 V313 F337 S343 I344 G345 V349 L350 L351V286-V347 HydrophobicContact CG2-CG1 4.41Å; S311-V347 VanDerWaalsContact CB-CG2 3.46Å; S311-V347 WeakPolarHBondContact OG-CG2 3.42Å; V313-V347 HydrophobicContact CB-CG2 4.36Å; V313-V347 HydrophobicContact CG1-CG2 3.52Å; V313-V347 HydrophobicContact CG2-CG2 3.9Å; F337-V347 HydrophobicContact CD1-CG1 3.93Å; F337-V347 HydrophobicContact CD1-CG2 4.03Å; F337-V347 HydrophobicContact CD2-CG1 3.62Å; F337-V347 HydrophobicContact CE1-CG1 3.75Å; F337-V347 HydrophobicContact CE1-CG2 4.26Å; F337-V347 HydrophobicContact CE2-CG1 3.45Å; F337-V347 VanDerWaalsContact CE2-CG1 3.45Å; F337-V347 HydrophobicContact CG-CG1 3.85Å; F337-V347 HydrophobicContact CG-CG2 4.35Å; F337-V347 HydrophobicContact CZ-CG1 3.52Å; S343-V347 PolarHBondContact O-N 3.46Å; I344-V347 WeakPolarHBondContact O-CB 3.4Å; I344-V347 PolarHBondContact O-N 3.04Å; I344-V347 VanDerWaalsContact O-N 3.16Å; G345-V347 VanDerWaalsContact C-N 3.32Å; G345-V347 PolarHBondContact O-N 2.84Å; V347-V349 PolarHBondContact O-N 3.46Å; V347-L350 PolarHBondContact O-N 2.96Å; V347-L351 HydrophobicContact CG1-CD1 3.66Å; V347-L351 HydrophobicContact CG1-CG 4.18Å; V347-L351 WeakPolarHBondContact O-CB 3.35Å; V347-L351 PolarHBondContact O-N 2.78Å
348Q92.9Very high93.5Very high86 Ų8655.8 Ų55.840%0.40228%0.277SS..Hα-helixtrans-57.8-50.6-179.3-70.5174.2-3.500110.5D284 V286 I344 G345 L350 L351 E352D284-Q348 PolarHBondContact OD2-NE2 3.22Å; V286-Q348 HydrophobicContact CG2-CG 3.92Å; I344-Q348 PolarHBondContact O-N 3.45Å; G345-Q348 PolarHBondContact O-N 2.93Å; Q348-L350 PolarHBondContact O-N 2.85Å; Q348-L351 PolarHBondContact O-N 3.12Å; Q348-E352 VanDerWaalsContact O-CB 3.3Å; Q348-E352 WeakPolarHBondContact O-CB 3.4Å; Q348-E352 PolarHBondContact O-N 2.85Å
349V94.8Very high93.3Very high96 Ų9659.3 Ų59.358%0.58230%0.296SS*.Hα-helixtrans-61.8-44.5177.7176.90000112.3G345 V347 Y353G345-V349 PolarHBondContact O-N 2.81Å; G345-V349 VanDerWaalsContact O-N 3.14Å; V347-V349 PolarHBondContact O-N 3.46Å; V349-Y353 WeakPolarHBondContact O-CB 3.36Å; V349-Y353 PolarHBondContact O-N 2.87Å
350L94.6Very high93.2Very high49 Ų4964.8 Ų64.826%0.25732%0.321SS..Hα-helixtrans-66.5-38.1180-74.3170.4000112.7I307 K310 N346 V347 Q348 H354I307-L350 HydrophobicContact CG1-CB 4.48Å; I307-L350 HydrophobicContact CG2-CB 4.01Å; I307-L350 HydrophobicContact CG2-CD1 4.39Å; K310-L350 HydrophobicContact CB-CD1 3.79Å; N346-L350 WeakPolarHBondContact O-CB 3.28Å; N346-L350 WeakPolarHBondContact O-CD1 3.42Å; N346-L350 WeakPolarHBondContact O-CG 3.44Å; N346-L350 PolarHBondContact O-N 2.84Å; V347-L350 PolarHBondContact O-N 2.96Å; Q348-L350 PolarHBondContact O-N 2.85Å; L350-H354 VanDerWaalsContact O-CB 3.29Å; L350-H354 WeakPolarHBondContact O-CB 3.28Å; L350-H354 PolarHBondContact O-N 3.34Å; L350-H354 VanDerWaalsContact O-N 3.09Å
351L93.3Very high93.1Very high0 Ų065.5 Ų65.50%033%0.325CS..Hα-helixtrans-71.3-44.1175.3-81.3174.8000112V286 V296 I307 F337 V347 Q348 H354 I355V286-L351 HydrophobicContact CB-CD1 3.81Å; V286-L351 HydrophobicContact CG1-CB 4.46Å; V286-L351 HydrophobicContact CG1-CD1 3.74Å; V286-L351 HydrophobicContact CG2-CD1 4.07Å; V296-L351 HydrophobicContact CG1-CD2 3.6Å; I307-L351 HydrophobicContact CD1-CD2 3.87Å; I307-L351 HydrophobicContact CG2-CG 4.44Å; F337-L351 HydrophobicContact CE2-CD1 3.65Å; F337-L351 HydrophobicContact CZ-CD1 3.75Å; V347-L351 HydrophobicContact CG1-CD1 3.66Å; V347-L351 HydrophobicContact CG1-CG 4.18Å; V347-L351 WeakPolarHBondContact O-CB 3.35Å; V347-L351 PolarHBondContact O-N 2.78Å; Q348-L351 PolarHBondContact O-N 3.12Å; L351-H354 PolarHBondContact O-N 3.15Å; L351-I355 WeakPolarHBondContact O-CB 3.47Å; L351-I355 VanDerWaalsContact O-CG1 3.22Å; L351-I355 WeakPolarHBondContact O-CG1 3.43Å; L351-I355 PolarHBondContact O-N 3.37Å
352E92.5Very high92.9Very high140 Ų14063.6 Ų63.665%0.65432%0.318SS*.Hα-helixtrans-60-47.8179-176.7171.5-156.600111Q348 H354 I355 S356Q348-E352 VanDerWaalsContact O-CB 3.3Å; Q348-E352 WeakPolarHBondContact O-CB 3.4Å; Q348-E352 PolarHBondContact O-N 2.85Å; E352-H354 VanDerWaalsContact C-N 3.35Å; E352-H354 PolarHBondContact O-N 3.13Å; E352-I355 PolarHBondContact O-N 2.85Å; E352-S356 PolarHBondContact O-N 2.88Å; E352-S356 PolarHBondContact O-OG 2.84Å
353Y94.5Very high92.8Very high169 Ų16963.3 Ų63.366%0.66332%0.317SS*.Hα-helixtrans-62.5-38.3174.7-176.7-98.7000112.9V349 S356 Y357V349-Y353 WeakPolarHBondContact O-CB 3.36Å; V349-Y353 PolarHBondContact O-N 2.87Å; Y353-S356 PolarHBondContact O-OG 3.18Å; Y353-Y357 WeakPolarHBondContact O-CB 3.47Å; Y353-Y357 PolarHBondContact O-N 3.47Å; Y353-Y357 VanDerWaalsContact O-N 3.15Å
354H92.4Very high92.7Very high35 Ų3567.1 Ų67.116%0.16234%0.336CS..Hα-helixtrans-71.8-35.7177.1-17155.4000112.5I307 L350 L351 E352 L358I307-H354 HydrophobicContact CD1-CB 4.47Å; L350-H354 VanDerWaalsContact O-CB 3.29Å; L350-H354 WeakPolarHBondContact O-CB 3.28Å; L350-H354 PolarHBondContact O-N 3.34Å; L350-H354 VanDerWaalsContact O-N 3.09Å; L351-H354 PolarHBondContact O-N 3.15Å; E352-H354 VanDerWaalsContact C-N 3.35Å; E352-H354 PolarHBondContact O-N 3.13Å; H354-L358 WeakPolarHBondContact NE2-CD1 3.34Å; H354-L358 WeakPolarHBondContact O-CB 3.29Å; H354-L358 VanDerWaalsContact O-CG 3.23Å; H354-L358 WeakPolarHBondContact O-CG 3.46Å; H354-L358 PolarHBondContact O-N 3.43Å
355I92.2Very high92.5Very high26 Ų2674.7 Ų74.713%0.13336%0.363CS..Hα-helixtrans-68.3-43.1177-73.8166.4000110.8V288 L292 V296 L351 E352 L358 N359V288-I355 HydrophobicContact CG1-CD1 4.25Å; V288-I355 HydrophobicContact CG2-CD1 4.32Å; L292-I355 HydrophobicContact CD1-CG2 3.85Å; V296-I355 HydrophobicContact CG2-CG1 4.13Å; L351-I355 WeakPolarHBondContact O-CB 3.47Å; L351-I355 VanDerWaalsContact O-CG1 3.22Å; L351-I355 WeakPolarHBondContact O-CG1 3.43Å; L351-I355 PolarHBondContact O-N 3.37Å; E352-I355 PolarHBondContact O-N 2.85Å; I355-L358 PolarHBondContact O-N 3.32Å; I355-N359 PolarHBondContact O-N 2.78Å; I355-N359 PolarHBondContact O-ND2 2.94Å
356S92.5Very high92.3Very high61 Ų6178 Ų7843%0.42738%0.375SS..Hα-helixtrans-63.7-46176.461.70000111.8E352 Y353 L358 N359 E360E352-S356 PolarHBondContact O-N 2.88Å; E352-S356 PolarHBondContact O-OG 2.84Å; Y353-S356 PolarHBondContact O-OG 3.18Å; S356-L358 VanDerWaalsContact C-N 3.33Å; S356-L358 PolarHBondContact O-N 2.94Å; S356-N359 WeakPolarHBondContact O-CB 3.42Å; S356-N359 PolarHBondContact O-N 2.82Å; S356-N359 VanDerWaalsContact O-N 3.12Å; S356-E360 PolarHBondContact O-N 3.3Å
357Y93.4Very high92.1Very high118 Ų11878 Ų7846%0.46337%0.373SS..Hα-helixtrans-56.8-42.5172.6172.8-104.1000112.9Y353 N359 E360 V361Y353-Y357 WeakPolarHBondContact O-CB 3.47Å; Y353-Y357 PolarHBondContact O-N 3.47Å; Y353-Y357 VanDerWaalsContact O-N 3.15Å; Y357-N359 VanDerWaalsContact C-N 3.32Å; Y357-N359 PolarHBondContact O-N 2.93Å; Y357-E360 PolarHBondContact O-N 3.18Å; Y357-V361 HydrophobicContact CD2-CG2 4.24Å; Y357-V361 HydrophobicContact CE1-CG2 4.17Å; Y357-V361 HydrophobicContact CE2-CG2 3.76Å; Y357-V361 WeakPolarHBondContact O-CB 3.43Å; Y357-V361 WeakPolarHBondContact O-CG2 3.3Å; Y357-V361 PolarHBondContact O-N 3.16Å
358L91.8Very high91.9Very high20 Ų2085.8 Ų85.811%0.10540%0.402CS..Hα-helixtrans-66.8-31.6177.1-76.2176000113.3L292 K295 V296 H354 I355 S356 E362L292-L358 HydrophobicContact CD2-CB 4.34Å; K295-L358 HydrophobicContact CB-CD1 3.64Å; K295-L358 HydrophobicContact CB-CD2 3.86Å; K295-L358 HydrophobicContact CB-CG 4.39Å; K295-L358 HydrophobicContact CD-CD1 4.43Å; K295-L358 HydrophobicContact CD-CD2 4.05Å; V296-L358 HydrophobicContact CG2-CD1 3.54Å; H354-L358 WeakPolarHBondContact NE2-CD1 3.34Å; H354-L358 WeakPolarHBondContact O-CB 3.29Å; H354-L358 VanDerWaalsContact O-CG 3.23Å; H354-L358 WeakPolarHBondContact O-CG 3.46Å; H354-L358 PolarHBondContact O-N 3.43Å; I355-L358 PolarHBondContact O-N 3.32Å; S356-L358 VanDerWaalsContact C-N 3.33Å; S356-L358 PolarHBondContact O-N 2.94Å; L358-E362 WeakPolarHBondContact O-CB 3.22Å; L358-E362 PolarHBondContact O-N 2.87Å; L358-E362 VanDerWaalsContact O-N 3.15Å
359N90.9Very high91.8Very high74 Ų7487.9 Ų87.940%0.39641%0.413SS..Hα-helixtrans-71.3-44.3174.3-72.5-31.9000111.3L292 I355 S356 Y357 V361 E362 Q363L292-N359 WeakPolarHBondContact CD1-OD1 3.48Å; I355-N359 PolarHBondContact O-N 2.78Å; I355-N359 PolarHBondContact O-ND2 2.94Å; S356-N359 WeakPolarHBondContact O-CB 3.42Å; S356-N359 PolarHBondContact O-N 2.82Å; S356-N359 VanDerWaalsContact O-N 3.12Å; Y357-N359 VanDerWaalsContact C-N 3.32Å; Y357-N359 PolarHBondContact O-N 2.93Å; N359-V361 PolarHBondContact O-N 2.76Å; N359-E362 CarbonylContact O-C 3.55Å; N359-E362 WeakPolarHBondContact O-CA 3.39Å; N359-E362 WeakPolarHBondContact O-CB 3.4Å; N359-E362 PolarHBondContact O-N 2.88Å; N359-E362 VanDerWaalsContact O-N 3.08Å; N359-Q363 PolarHBondContact O-N 3.23Å
360E92.4Very high91.5Very high116 Ų11689.2 Ų89.254%0.54241%0.413SS..Hα-helixtrans-59-45.5175.5-174.2-179.6-166.300111.4S356 Y357 E362 Q363 L364S356-E360 PolarHBondContact O-N 3.3Å; Y357-E360 PolarHBondContact O-N 3.18Å; E360-E362 PolarHBondContact O-N 2.76Å; E360-Q363 PolarHBondContact O-N 2.93Å; E360-L364 HydrophobicContact CG-CD1 4.24Å; E360-L364 WeakPolarHBondContact O-CG 3.33Å; E360-L364 PolarHBondContact O-N 2.89Å
361V90.9Very high91.1Very high39 Ų3991.3 Ų91.324%0.23642%0.424CS..Hα-helixtrans-67.9-20.9175.7171.10000113.2Y357 N359 R365Y357-V361 HydrophobicContact CD2-CG2 4.24Å; Y357-V361 HydrophobicContact CE1-CG2 4.17Å; Y357-V361 HydrophobicContact CE2-CG2 3.76Å; Y357-V361 WeakPolarHBondContact O-CB 3.43Å; Y357-V361 WeakPolarHBondContact O-CG2 3.3Å; Y357-V361 PolarHBondContact O-N 3.16Å; N359-V361 PolarHBondContact O-N 2.76Å; V361-R365 WeakPolarHBondContact O-CG 3.24Å
362E88.1Confident90.9Very high64 Ų6494.9 Ų94.930%0.29944%0.443SS..Hα-helixtrans-82.4-39.8171.8-173128.6-96.500111.5K295 L358 N359 E360 R365 L366K295-E362 IonicContact NZ-OE1 2.7Å; K295-E362 PolarHBondContact NZ-OE1 2.95Å; K295-E362 IonicContact NZ-OE2 3.08Å; K295-E362 PolarHBondContact NZ-OE2 2.89Å; L358-E362 WeakPolarHBondContact O-CB 3.22Å; L358-E362 PolarHBondContact O-N 2.87Å; L358-E362 VanDerWaalsContact O-N 3.15Å; N359-E362 CarbonylContact O-C 3.55Å; N359-E362 WeakPolarHBondContact O-CA 3.39Å; N359-E362 WeakPolarHBondContact O-CB 3.4Å; N359-E362 PolarHBondContact O-N 2.88Å; N359-E362 VanDerWaalsContact O-N 3.08Å; E360-E362 PolarHBondContact O-N 2.76Å; E362-R365 WeakPolarHBondContact O-CB 3.18Å; E362-R365 PolarHBondContact O-N 2.77Å; E362-L366 HydrophobicContact CG-CD1 4.48Å; E362-L366 WeakPolarHBondContact O-CG 3.2Å; E362-L366 PolarHBondContact O-N 2.66Å
363Q91.1Very high90.7Very high112 Ų11291.6 Ų91.652%0.52343%0.427SS..Hα-helixtrans-62.3-51.1173.6179.5177.2-24.400111.5N359 E360 R365 L366 E367N359-Q363 PolarHBondContact O-N 3.23Å; E360-Q363 PolarHBondContact O-N 2.93Å; Q363-R365 PolarHBondContact O-N 2.82Å; Q363-R365 VanDerWaalsContact O-N 3.15Å; Q363-L366 WeakPolarHBondContact O-CA 3.48Å; Q363-L366 WeakPolarHBondContact O-CB 3.49Å; Q363-L366 PolarHBondContact O-N 3.44Å; Q363-E367 HydrophobicContact CG-CG 4.39Å; Q363-E367 VanDerWaalsContact CG-OE1 3.3Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.34Å; Q363-E367 PolarHBondContact NE2-OE1 2.89Å; Q363-E367 WeakPolarHBondContact O-CG 3.38Å; Q363-E367 PolarHBondContact O-N 3.34Å
364L92.1Very high90.3Very high97 Ų9789 Ų8951%0.50842%0.421SS..Hα-helixtrans-59.8-28.1177.1-69.2169.6000112.6E360 R368E360-L364 HydrophobicContact CG-CD1 4.24Å; E360-L364 WeakPolarHBondContact O-CG 3.33Å; E360-L364 PolarHBondContact O-N 2.89Å; L364-R368 WeakPolarHBondContact O-CB 3.2Å; L364-R368 PolarHBondContact O-N 2.81Å; L364-R368 VanDerWaalsContact O-N 3.1Å
365R90Very high89.8Confident167 Ų16792 Ų9263%0.6344%0.438SS*.Hα-helixtrans-71.4-40.3171.2-90.2-177.8159.492.11.2112.8V361 E362 Q363 M369V361-R365 WeakPolarHBondContact O-CG 3.24Å; E362-R365 WeakPolarHBondContact O-CB 3.18Å; E362-R365 PolarHBondContact O-N 2.77Å; Q363-R365 PolarHBondContact O-N 2.82Å; Q363-R365 VanDerWaalsContact O-N 3.15Å; R365-M369 WeakPolarHBondContact O-CB 3.38Å; R365-M369 PolarHBondContact O-N 3.44Å
366L89.4Confident89.3Confident93 Ų9396.9 Ų96.949%0.48746%0.455SS..Hα-helixtrans-68.5-44.3177.1-74162000111.2E362 Q363 M369 Q370E362-L366 HydrophobicContact CG-CD1 4.48Å; E362-L366 WeakPolarHBondContact O-CG 3.2Å; E362-L366 PolarHBondContact O-N 2.66Å; Q363-L366 WeakPolarHBondContact O-CA 3.48Å; Q363-L366 WeakPolarHBondContact O-CB 3.49Å; Q363-L366 PolarHBondContact O-N 3.44Å; L366-M369 PolarHBondContact O-N 2.92Å; L366-M369 VanDerWaalsContact O-N 3.16Å; L366-Q370 WeakPolarHBondContact O-CG 3.36Å; L366-Q370 PolarHBondContact O-N 2.96Å
367E90.4Very high88.6Confident76 Ų7699.4 Ų99.436%0.35546%0.46SS..Hα-helixtrans-59.7-47.7174.8-70.8172.4-173.900111.1Q363 M369 Q370 I371Q363-E367 HydrophobicContact CG-CG 4.39Å; Q363-E367 VanDerWaalsContact CG-OE1 3.3Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.34Å; Q363-E367 PolarHBondContact NE2-OE1 2.89Å; Q363-E367 WeakPolarHBondContact O-CG 3.38Å; Q363-E367 PolarHBondContact O-N 3.34Å; E367-M369 VanDerWaalsContact C-N 3.32Å; E367-M369 PolarHBondContact O-N 2.54Å; E367-Q370 PolarHBondContact O-N 3.34Å; E367-I371 WeakPolarHBondContact O-CG1 3.44Å; E367-I371 PolarHBondContact O-N 3.38Å
368R89.4Confident87.8Confident163 Ų16399.3 Ų99.362%0.61547%0.466SS*.Hα-helixtrans-56.2-45.5172.1178.2-175.9163.3158.56.1112L364 Q370 I371 D372L364-R368 WeakPolarHBondContact O-CB 3.2Å; L364-R368 PolarHBondContact O-N 2.81Å; L364-R368 VanDerWaalsContact O-N 3.1Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 2.68Å; R368-I371 PolarHBondContact O-N 2.69Å; R368-D372 IonicContact CZ-OD2 2.62Å; R368-D372 IonicContact NE-OD2 3.58Å; R368-D372 PolarHBondContact NE-OD2 3.17Å; R368-D372 IonicContact NH2-OD2 2.9Å; R368-D372 PolarHBondContact NH2-OD2 3.06Å; R368-D372 WeakPolarHBondContact O-CB 3.45Å; R368-D372 PolarHBondContact O-N 3.37Å
369M90.8Very high86.5Confident131 Ų131103.5 Ų103.565%0.64549%0.493SS*.Hα-helixtrans-62.8-36.2-179.5-174.4-180-67.300112R365 L366 E367 E373R365-M369 WeakPolarHBondContact O-CB 3.38Å; R365-M369 PolarHBondContact O-N 3.44Å; L366-M369 PolarHBondContact O-N 2.92Å; L366-M369 VanDerWaalsContact O-N 3.16Å; E367-M369 VanDerWaalsContact C-N 3.32Å; E367-M369 PolarHBondContact O-N 2.54Å; M369-E373 WeakPolarHBondContact O-CB 3.01Å; M369-E373 PolarHBondContact O-N 3.33Å
370Q89Confident85.1Confident123 Ų123106.3 Ų106.358%0.57550%0.504SS*.Hα-helixtrans-66.5-41174-68.4172.528.800111.6L366 E367 R368 E373 Q374L366-Q370 WeakPolarHBondContact O-CG 3.36Å; L366-Q370 PolarHBondContact O-N 2.96Å; E367-Q370 PolarHBondContact O-N 3.34Å; R368-Q370 VanDerWaalsContact C-N 3.28Å; R368-Q370 PolarHBondContact O-N 2.68Å; Q370-E373 PolarHBondContact O-N 3.15Å; Q370-Q374 WeakPolarHBondContact O-CB 3.5Å; Q370-Q374 VanDerWaalsContact O-CG 3.28Å; Q370-Q374 WeakPolarHBondContact O-CG 3.3Å; Q370-Q374 PolarHBondContact O-N 3.36Å
371I86.9Confident83.2Confident94 Ų94103.7 Ų103.748%0.48251%0.508SS..Hα-helixtrans-64.6-48.1175-65163.1000111.1E367 R368 E373 Q374 L375E367-I371 WeakPolarHBondContact O-CG1 3.44Å; E367-I371 PolarHBondContact O-N 3.38Å; R368-I371 PolarHBondContact O-N 2.69Å; I371-E373 VanDerWaalsContact C-N 3.28Å; I371-E373 PolarHBondContact O-N 3.17Å; I371-Q374 PolarHBondContact O-N 2.85Å; I371-L375 HydrophobicContact CG2-CD1 4.03Å; I371-L375 HydrophobicContact CG2-CG 4.45Å; I371-L375 WeakPolarHBondContact O-CG 3.35Å; I371-L375 PolarHBondContact O-N 2.84Å
372D87.8Confident81.2Confident74 Ų74109.3 Ų109.340%0.39653%0.531SS..Hα-helixtrans-59.8-36.9179-78.4-27.2000111.1R368 R376R368-D372 IonicContact CZ-OD2 2.62Å; R368-D372 IonicContact NE-OD2 3.58Å; R368-D372 PolarHBondContact NE-OD2 3.17Å; R368-D372 IonicContact NH2-OD2 2.9Å; R368-D372 PolarHBondContact NH2-OD2 3.06Å; R368-D372 WeakPolarHBondContact O-CB 3.45Å; R368-D372 PolarHBondContact O-N 3.37Å; D372-R376 WeakPolarHBondContact O-CB 3.5Å; D372-R376 PolarHBondContact O-N 3.23Å
373E88.3Confident79Confident71 Ų71117.3 Ų117.333%0.33256%0.558SS.*Hα-helixtrans-77-36.5175177.756.7-16200113.4M369 Q370 I371 R376 Q377M369-E373 WeakPolarHBondContact O-CB 3.01Å; M369-E373 PolarHBondContact O-N 3.33Å; Q370-E373 PolarHBondContact O-N 3.15Å; I371-E373 VanDerWaalsContact C-N 3.28Å; I371-E373 PolarHBondContact O-N 3.17Å; E373-R376 VanDerWaalsContact CD-NH1 3.31Å; E373-R376 WeakPolarHBondContact O-CB 3.48Å; E373-R376 PolarHBondContact O-N 2.94Å; E373-R376 IonicContact OE1-NH1 3.68Å; E373-R376 PolarHBondContact OE1-NH1 2.98Å; E373-R376 VanDerWaalsContact OE1-NH1 3.08Å; E373-R376 WeakPolarHBondContact OE2-CD 3.25Å; E373-R376 IonicContact OE2-CZ 2.89Å; E373-R376 IonicContact OE2-NE 2.73Å; E373-R376 IonicContact OE2-NH1 3.34Å; E373-R376 PolarHBondContact OE2-NH1 3.14Å; E373-Q377 WeakPolarHBondContact O-CG 3.17Å; E373-Q377 PolarHBondContact O-N 3.11Å; E373-Q377 PolarHBondContact OE1-NE2 3.28Å
374Q86.6Confident76.7Confident115 Ų115117.8 Ų117.854%0.53757%0.571SS.*Hα-helixtrans-60.9-44.8172-77.9174.71.400111.5Q370 I371 R376 Q377 I378Q370-Q374 WeakPolarHBondContact O-CB 3.5Å; Q370-Q374 VanDerWaalsContact O-CG 3.28Å; Q370-Q374 WeakPolarHBondContact O-CG 3.3Å; Q370-Q374 PolarHBondContact O-N 3.36Å; I371-Q374 PolarHBondContact O-N 2.85Å; Q374-R376 VanDerWaalsContact C-N 3.29Å; Q374-R376 PolarHBondContact O-N 3.14Å; Q374-Q377 PolarHBondContact O-N 3.26Å; Q374-I378 WeakPolarHBondContact O-CG1 3.49Å; Q374-I378 PolarHBondContact O-N 2.92Å
375L81.1Confident74.4Confident97 Ų97119.6 Ų119.651%0.50859%0.586SS.*Hα-helixtrans-60.1-39.4174.5-71.5170.7000112I371 T379I371-L375 HydrophobicContact CG2-CD1 4.03Å; I371-L375 HydrophobicContact CG2-CG 4.45Å; I371-L375 WeakPolarHBondContact O-CG 3.35Å; I371-L375 PolarHBondContact O-N 2.84Å; L375-T379 WeakPolarHBondContact O-CB 3.42Å; L375-T379 PolarHBondContact O-N 2.9Å; L375-T379 PolarHBondContact O-OG1 2.9Å
376R83.4Confident71.9Confident129 Ų129118.9 Ų118.949%0.48760%0.595SS.*Hα-helixtrans-65.6-39.1175.9-179.4170.5165.5-79.7-8.7112.5D372 E373 Q374 Q380D372-R376 WeakPolarHBondContact O-CB 3.5Å; D372-R376 PolarHBondContact O-N 3.23Å; E373-R376 VanDerWaalsContact CD-NH1 3.31Å; E373-R376 WeakPolarHBondContact O-CB 3.48Å; E373-R376 PolarHBondContact O-N 2.94Å; E373-R376 IonicContact OE1-NH1 3.68Å; E373-R376 PolarHBondContact OE1-NH1 2.98Å; E373-R376 VanDerWaalsContact OE1-NH1 3.08Å; E373-R376 WeakPolarHBondContact OE2-CD 3.25Å; E373-R376 IonicContact OE2-CZ 2.89Å; E373-R376 IonicContact OE2-NE 2.73Å; E373-R376 IonicContact OE2-NH1 3.34Å; E373-R376 PolarHBondContact OE2-NH1 3.14Å; Q374-R376 VanDerWaalsContact C-N 3.29Å; Q374-R376 PolarHBondContact O-N 3.14Å; R376-Q380 WeakPolarHBondContact O-CG 3.48Å; R376-Q380 PolarHBondContact O-N 2.93Å; R376-Q380 VanDerWaalsContact O-N 3.17Å
377Q77.6Confident69.5Low115 Ų115124.9 Ų124.954%0.53761%0.611SS.*Hα-helixtrans-68.2-44.1175.2-70.6173.217.700112E373 Q374 T379 Q380E373-Q377 WeakPolarHBondContact O-CG 3.17Å; E373-Q377 PolarHBondContact O-N 3.11Å; E373-Q377 PolarHBondContact OE1-NE2 3.28Å; Q374-Q377 PolarHBondContact O-N 3.26Å; Q377-T379 VanDerWaalsContact C-N 3.3Å; Q377-T379 PolarHBondContact O-N 3.22Å; Q377-Q380 PolarHBondContact O-N 3.06Å
378I76.1Confident67Low116 Ų116129.9 Ų129.960%0.59563%0.634SS**Hα-helixtrans-59.5-42175.6-68.2164.5000111Q374 Q380 G381Q374-I378 WeakPolarHBondContact O-CG1 3.49Å; Q374-I378 PolarHBondContact O-N 2.92Å; I378-Q380 VanDerWaalsContact C-N 3.34Å; I378-Q380 PolarHBondContact O-N 2.82Å; I378-G381 PolarHBondContact O-N 2.9Å
379T65.2Low64.5Low108 Ų108133.7 Ų133.766%0.66365%0.649SS**Hα-helixtrans-69.7-29-178.9-58.10000112.7L375 Q377 G381L375-T379 WeakPolarHBondContact O-CB 3.42Å; L375-T379 PolarHBondContact O-N 2.9Å; L375-T379 PolarHBondContact O-OG1 2.9Å; Q377-T379 VanDerWaalsContact C-N 3.3Å; Q377-T379 PolarHBondContact O-N 3.22Å; T379-G381 VanDerWaalsContact C-N 3.29Å; T379-G381 PolarHBondContact O-N 2.89Å
380Q60.1Low61.8Low133 Ų133130.9 Ų130.962%0.62165%0.653SS**Hα-helixtrans-74.3-15.6175.7-75.1179.316.400113.7R376 Q377 I378 H382R376-Q380 WeakPolarHBondContact O-CG 3.48Å; R376-Q380 PolarHBondContact O-N 2.93Å; R376-Q380 VanDerWaalsContact O-N 3.17Å; Q377-Q380 PolarHBondContact O-N 3.06Å; I378-Q380 VanDerWaalsContact C-N 3.34Å; I378-Q380 PolarHBondContact O-N 2.82Å; Q380-H382 VanDerWaalsContact C-N 3.31Å; Q380-H382 PolarHBondContact O-N 2.86Å
381G52.2Low59.2Low61 Ų61132.7 Ų132.763%0.62966%0.661SS**THydrogen-bonded Turntrans-74.3-10.8178.400000115.8I378 T379I378-G381 PolarHBondContact O-N 2.9Å; T379-G381 VanDerWaalsContact C-N 3.29Å; T379-G381 PolarHBondContact O-N 2.89Å
382H49.9Very low56.8Low157 Ų157138.8 Ų138.873%0.72768%0.678SS**  trans-123.971.1-167.4-74.382000114Q380Q380-H382 VanDerWaalsContact C-N 3.31Å; Q380-H382 PolarHBondContact O-N 2.86Å
383R42.5Very low54.2Low232 Ų232138.6 Ų138.688%0.87569%0.694SS**  trans-133113.4153.7-78.8-165.7173.9-159.4-2.2110.3
384P41.3Very low51.7Low121 Ų121142.5 Ų142.579%0.78671%0.713SS**  trans-59.4154.3169.9-23.634.9000112.2
385V43.8Very low49.2Very low136 Ų136147.8 Ų147.882%0.82473%0.728SS**  trans-97113175.3178.50000108.9
386D37.5Very low47Very low152 Ų152147 Ų14781%0.81374%0.743SS**  trans-112117166.4-83.7-52.1000110.9
387R39.5Very low44.6Very low219 Ų219145.1 Ų145.183%0.82676%0.763SS**  trans-70.7154.2143.6-70.8171.2163152.4-7.7105.9
388E37.7Very low42.5Very low180 Ų180143.1 Ų143.184%0.84177%0.773SS**  cis-171.1-176.247-158.2165.3-130.100111.2
389R37.1Very low40.4Very low244 Ų244141.2 Ų141.292%0.92178%0.782SS**  trans86.8109151.3-157.5-178.2-159.8-1676.1120
390G33.3Very low39.2Very low72 Ų72145.9 Ų145.974%0.74279%0.79SS**  118.585.5120.600000120.3
391E35Very low38.2Very low160 Ų160146.9 Ų146.975%0.74880%0.799SS**  trans20.4142.2137-119.8-166.4115.400123.9
392R36.4Very low37.4Very low222 Ų222147.9 Ų147.984%0.83880%0.802SS**  trans84.3154.7151.8-63.1-179.5-177.2-154.5-1.4121.8
393G34.2Very low36.7Very low71 Ų71148.1 Ų148.173%0.73281%0.808SS**  trans85.6119.7175.600000112.2
394E35Very low36.4Very low153 Ų153140.7 Ų140.772%0.71580%0.804SS**  cis69.5119.326.6-142.2-153.8139.200115.9
395R34.4Very low36Very low226 Ų226138.7 Ų138.785%0.85381%0.806SS**  trans66.4147.9169.5-65.2173.2-161.7-1470.8119.5
396G33.8Very low35.5Very low81 Ų81136 Ų13684%0.83581%0.805SS**  trans88.4126.9160.500000114.2
397G33Very low35.2Very low88 Ų88136.5 Ų136.591%0.90781%0.808SS**  cis108.7112.5-2.300000112.8
398G35.3Very low34.9Very low73 Ų73129.8 Ų129.875%0.75380%0.799SS**  trans133.191.5-177.900000112
399G31.5Very low34.6Very low76 Ų76126.2 Ų126.278%0.78479%0.794SS**  cis91.163.4-500000115
400Y39.3Very low34.5Very low207 Ų207119.9 Ų119.981%0.81279%0.787SS**  trans-157.8143.5153.648.9-96.3000109.2
401N38.5Very low34.4Very low153 Ų153120.7 Ų120.782%0.81879%0.787SS**  cis-155.9158.4-4.5-112.9-11.4000111.5
402A35.4Very low34.2Very low83 Ų83118.1 Ų118.169%0.68679%0.786SS**  trans61.8140.4153.100000119.4
403D36.6Very low34Very low161 Ų161114.1 Ų114.186%0.86178%0.781SS**  cis-158.8162.1-11.1-125.5-43.9000112.1
404G34.9Very low33.8Very low76 Ų76122 Ų12278%0.78479%0.789SS**  trans45.1129.4161.300000121.3
405G33.4Very low33.6Very low80 Ų80118.7 Ų118.783%0.82580%0.795SS**  cis129.2121.81.900000112.6
406G34Very low33.4Very low79 Ų79113.4 Ų113.481%0.81479%0.793SS**  trans81.5106.3176.300000114.2
407N31.5Very low33.4Very low163 Ų163120.4 Ų120.487%0.87279%0.794SS**  cis84.7132.231-164.233.1000116.2
408A32.8Very low33.2Very low78 Ų78121.6 Ų121.665%0.64579%0.788SS**  trans65.8142.5169.200000116.7
409S31.3Very low33.1Very low105 Ų105129.1 Ų129.173%0.73480%0.796SS**  cis-151.1171.526-660000113.9
410S34Very low33.2Very low110 Ų110131.3 Ų131.377%0.76979%0.79SS**  trans52110.2153.455.40000118.8
411A31.8Very low32.8Very low90 Ų90125 Ų12574%0.74478%0.775SS**  95.4113.750.300000115.1
412S30.4Very low32.7Very low105 Ų105129.2 Ų129.273%0.73478%0.78SS**  trans73.9140.9142.183.40000122.8
413L33.2Very low32.5Very low138 Ų138129 Ų12972%0.72379%0.786SS**  trans80.2113.3150.9-67.9158.3000122.3
414R30.6Very low32.6Very low238 Ų238133.8 Ų133.890%0.89879%0.792SS**  trans65.9132.4141.1-59.6175.1178.8-126.10.9119.6
415G29.8Very low32.4Very low83 Ų83133.8 Ų133.886%0.85679%0.792SS**  trans172.3102162.700000114.8
416S30.5Very low32.5Very low114 Ų114139.9 Ų139.980%0.79779%0.79SS**  trans-83.9159.2-174.9-146.30000114.3
417R32.8Very low32.6Very low229 Ų229146.9 Ų146.986%0.86479%0.792SS**  trans79105.1155.2-65170.1177.7172.3-1.9121.2
418S30.6Very low32.5Very low112 Ų112142.3 Ų142.378%0.78378%0.784SS**  48.9119.4111-166.40000121.1
419Y33Very low32.4Very low232 Ų232146.7 Ų146.791%0.9179%0.791SS**  trans-137.1174.6131.4-152.5-101.6000110.9
420N33.3Very low32.2Very low122 Ų122146.4 Ų146.465%0.65278%0.781SS**  trans-124.6154.7-154.2-169.1-4000113.7
421S30.5Very low32.1Very low73 Ų73151.1 Ų151.151%0.5178%0.783SS.*  trans84.6123.1147.6-83.40000123.1
422R35.4Very low31.9Very low242 Ų242153.4 Ų153.491%0.91378%0.783SS**  trans77.6135.5132.5-65167.8-177.8170.5-0.9121.4
423G32.7Very low31.9Very low80 Ų80154.1 Ų154.183%0.82578%0.783SS**  140.999.913000000117.3
424R37.2Very low31.6Very low260 Ų260150.7 Ų150.798%0.98178%0.781SS**  trans-91.1151.5161.9-79.9-173.1172.9-165.3-1110.9
425G32Very low31.6Very low76 Ų76150.9 Ų150.978%0.78478%0.783SS**  trans122.2120.6138.900000118.5
426R35.8Very low31.6Very low209 Ų209150.6 Ų150.679%0.78978%0.781SS**  trans-153.5137.5157.3-86-165.2179.4-85.88110
427R34.6Very low31.6Very low225 Ų225149.2 Ų149.285%0.84978%0.784SS**  trans51.2148.9151.1-61174.3172.7163.3-6.6119.1
428G29.7Very low31.5Very low68 Ų68142.4 Ų142.470%0.70178%0.777SS**  cis148.8129.2-12.700000114.9
429H31.9Very low31.5Very low170 Ų170144.5 Ų144.579%0.78778%0.779SS**  trans75.8114.1158.3-77.729000122.2
430N26.6Very low31.7Very low99 Ų99137.8 Ų137.853%0.52977%0.766SS.*  74148.1126.4-58.115.5000124.1
431Y31.2Very low31.7Very low208 Ų208138.7 Ų138.782%0.81677%0.767SS**  trans72.1150.6161.7-51-58.1000117
432N27.3Very low32Very low139 Ų139142.8 Ų142.874%0.74378%0.777SS**  cis-165.2165.8-23.4-175.653.3000109.1
433T30.5Very low31.9Very low120 Ų120135.3 Ų135.374%0.73676%0.762SS**  trans-13.2147.5167.1-50.80000119.4
434G28.5Very low31.8Very low65 Ų65138.7 Ų138.767%0.6776%0.762SS**  cis150.3177.51.200000113.1
435Y29.7Very low32.2Very low242 Ų242131.7 Ų131.795%0.94975%0.75SS**  trans71.4138.9166.2-93.1-90.7000123.6
436G29.4Very low32.1Very low78 Ų78133 Ų13380%0.80475%0.747SS**  trans80.7142.5157.900000117.5
437G30.8Very low31.9Very low84 Ų84131.7 Ų131.787%0.86675%0.75SS**  cis116.9139.96.800000111.6
438A31.5Very low31.7Very low87 Ų87127 Ų12772%0.71975%0.747SS**  cis-165.5-177.4-4.100000110.6
439N29.6Very low31.7Very low156 Ų156130.6 Ų130.683%0.83475%0.749SS**  trans71.1146.8166.6-55.7-3.7000117.2
440S37.2Very low31.7Very low91 Ų91128.1 Ų128.164%0.63675%0.751SS**  cis-165.1-162.6-13.7490000107.7
441E34.6Very low32.1Very low141 Ų141132.4 Ų132.466%0.65977%0.768SS**  cis-169.7166.27.1-140.1154.38500110.5
442H36Very low32.2Very low158 Ų158132.9 Ų132.973%0.73177%0.769SS**  trans57.7137.2162.2-62.7116.8000120.1
443S32.5Very low32.4Very low86 Ų86136.1 Ų136.160%0.60178%0.776SS**  cis-165.1144.3-5.5-81.20000112.3
444N31.4Very low32.6Very low151 Ų151136.2 Ų136.281%0.80777%0.772SS**  trans58.6156.2151.3-62.5-8.4000121.7
445P46Very low32.7Very low113 Ų113140.9 Ų140.973%0.73478%0.776SS**  cis-137.4-167.4-43.841.4-24.6000113.3
446S29.8Very low32.9Very low104 Ų104136.3 Ų136.373%0.72777%0.768SS**  trans91.1119165.5-56.20000119.4
447E30.8Very low32.8Very low180 Ų180137.7 Ų137.784%0.84177%0.765SS**  trans40.2131.8136.9-59-179.7157.700120.5
448T31.6Very low32.8Very low128 Ų128140 Ų14079%0.78576%0.758SS**  cis-153.6154.29.3-6.10000113.3
449D28.2Very low32.7Very low142 Ų142147.5 Ų147.576%0.75977%0.767SS**  trans53.1111.1148.8-154.42.4000120.7
450S33.3Very low32.7Very low118 Ų118144.1 Ų144.183%0.82576%0.756SS**  trans-171.388.9151.2280000110.6
451E34.5Very low32.4Very low190 Ų190147.8 Ų147.889%0.88877%0.767SS**  trans-76.8146.3172.6-72.2-145.3120.700113.5
452R32.6Very low32.1Very low218 Ų218146 Ų14682%0.82378%0.777SS**  trans-72.4157.6-176.5-52.1143.8170.7-1084.6111.8
453K31.8Very low31.7Very low207 Ų207141.8 Ų141.890%0.978%0.776SS**  -153142.2116.1-155.6161.8-176.5175.90112.9
454D34.4Very low31.8Very low121 Ų121147 Ų14765%0.64779%0.791SS**  trans-90.7152.9-172.5-60.1-72.9000114.7
455E30.2Very low31.8Very low163 Ų163147.1 Ų147.176%0.76279%0.792SS**  trans1.8135.7149.1-61.6-165.5155.300123.5
456L34.4Very low31.2Very low147 Ų147149.3 Ų149.377%0.7780%0.796SS**  trans70152.4131.4-87.483.3000124.7
457S28.1Very low31.5Very low107 Ų107151.7 Ų151.775%0.74880%0.801SS**  trans72.2109.5154.837.10000121.3
458D31Very low31.5Very low133 Ų133145.5 Ų145.571%0.71179%0.785SS**  30.6118.9110.8-175.725.9000118.7
459W29.5Very low31.5Very low244 Ų244146.6 Ų146.692%0.92478%0.781SS**  trans-156.7166134.3-110.292.3000110.4
460S29.8Very low31.8Very low84 Ų84149 Ų14959%0.58778%0.78SS**  trans-122.5168.5-168.8-64.10000114.7
461L29.8Very low31.9Very low168 Ų168152.1 Ų152.188%0.8878%0.782SS**  trans86.3157.9160.2-66.2164.4000119.6
462A28.8Very low31.7Very low104 Ų104154.8 Ų154.886%0.8678%0.783SS**  trans64.6135.4-168.900000115.3
463G27.6Very low31.4Very low70 Ų70147.9 Ų147.972%0.72278%0.78SS**  cis134.4124.3-10.900000113.3
464E34.9Very low31.9Very low196 Ų196144.4 Ų144.492%0.91678%0.779SS**  trans-171.8161.2149.3-106.8165.6-166.700109.3
465D30.5Very low31.9Very low153 Ų153149.8 Ų149.882%0.81879%0.79SS**  trans-111.2-172.8-151.5-68.4-80.9000116.3
466L33.8Very low32.7Very low159 Ų159147.9 Ų147.983%0.83279%0.792SS**  trans83.6135.5175.4-51.8177.1000115.7
467D35.9Very low32.6Very low153 Ų153148.2 Ų148.282%0.81879%0.79SS**  cis-162.8176.2-21.9-135.7-4000107.8
468G30.3Very low32.7Very low50 Ų50152.9 Ų152.952%0.51579%0.791SS.*  cis173.2147-1.500000111.9
469E33.4Very low32.7Very low151 Ų151152.7 Ų152.771%0.70679%0.79SS**  trans62.1144.2172-52.7-128.6111.700117.2
470R34.6Very low32.8Very low194 Ų194143.9 Ų143.973%0.73278%0.775SS**  cis-151.4170.5-15.9-96.6172.1-162.3179.819.2105.1
471E33.6Very low33.1Very low183 Ų183150.9 Ų150.986%0.85579%0.788SS**  cis-151-169.923.2-155.7160.1-138.300111.6
472R31.4Very low33.1Very low245 Ų245153.8 Ų153.893%0.92579%0.787SS**  trans-100.8158.4-167.4-72.9177168.6171.2-3.5115.4
473G26.5Very low33.8Very low73 Ų73160.4 Ų160.475%0.75379%0.79SS**  trans-82.8-149.917600000115.2
474P40.8Very low34.4Very low135 Ų135163 Ų16388%0.87779%0.794SS**  -140.6-177.45140.9-23.3000117
475R36.2Very low34.3Very low234 Ų234156.7 Ų156.788%0.88378%0.782SS**  trans-102170168.3-67.6177.9171.8164.8-3.2111.2
476P46.8Very low34.9Very low123 Ų123155.9 Ų155.980%0.79979%0.785SS**  -145.1-172.9101.339.5-25.7000114.1
477Q31.9Very low34.7Very low154 Ų154151.6 Ų151.672%0.7278%0.78SS**  -174.3131.2-55.3178.4173.215.300110.6
478R30.6Very low34.5Very low205 Ų205156.8 Ų156.877%0.77479%0.788SS**  trans62168.7163.5-73.2174.198.3154.48116.5
479D30.1Very low34.5Very low129 Ų129157.5 Ų157.569%0.6980%0.795SS**  cis-140.9178.5-15.4-132.3-29.9000109.9
480G31.8Very low34.5Very low59 Ų59162.8 Ų162.861%0.60881%0.809SS**  trans-128.2-173.9-179.500000117.1
481R35.1Very low34.2Very low231 Ų231157.2 Ų157.287%0.87281%0.811SS**  trans101.2124.7164.3-60.3178.1169.5-174.1-2.2119.5
482R31.5Very low34.1Very low229 Ų229152.7 Ų152.786%0.86481%0.814SS**  trans86133.3144.1-69.9168.8179.6-169.5-1.2121.5
483R42Very low34.1Very low243 Ų243144.3 Ų144.392%0.91780%0.803SS**  trans-63.6165.1157.9-97.1-179.2172.9-178.4-0.9111.3
484P40.3Very low34.3Very low123 Ų123153.4 Ų153.480%0.79982%0.815SS**  cis-137.6-175.233.640.2-20.8000116.8
485G32.6Very low33.8Very low65 Ų65150.7 Ų150.767%0.6781%0.812SS**  trans-83.7-175.7169.600000113.2
486P43.4Very low33.7Very low135 Ų135152 Ų15288%0.87782%0.817SS**  -155.1170.171.941.9-23.4000118.7
487G29.2Very low32.8Very low70 Ų70149.7 Ų149.772%0.72282%0.815SS**  101.2102122.400000122
488R32.9Very low32.8Very low261 Ų261154.8 Ų154.899%0.98583%0.828SS**  trans-179.5145.4139.5-99.2169.2-164.8-142.54.8108.3
489G28.8Very low32.7Very low65 Ų65148.9 Ų148.967%0.6783%0.831SS**  cis156.1126.3-10.500000112.2
490R33.9Very low32.6Very low263 Ų263145.8 Ų145.899%0.99283%0.829SS**  trans83.4135.7-170-54.3175.5174.3-165.8-2.4114.8
491G29.2Very low32.5Very low76 Ų76154.9 Ų154.978%0.78485%0.847SS**  cis167.3124.6-16.100000115.6
492G31.3Very low32.2Very low88 Ų88147.1 Ų147.191%0.90784%0.839SS**  trans50.2145.2151.900000122.2
493G30.3Very low32Very low69 Ų69147.2 Ų147.271%0.71184%0.841SS**  cis153.3164.5-4.400000113.1
494R30.6Very low31.3Very low264 Ų264142.8 Ų142.8100%0.99684%0.835SS**  trans74.1152.9-175.8-46175.9-174.9-155.50.1113.3
495G31.4Very low30.9Very low78 Ų78142.3 Ų142.380%0.80484%0.835SS**  cis-148.1-164.93.500000113.8
496R33.2Very low30.7Very low262 Ų262143 Ų14399%0.98984%0.835SS**  trans-120.8155.6-170.1-65.9174.8171.9173.9-4113.9
497G29.4Very low30Very low74 Ų74141.9 Ų141.976%0.76383%0.83SS**  trans146.8129.8164.300000110.6
498R30.4Very low30.1Very low261 Ų261149 Ų14999%0.98584%0.835SS**  cis87.4103.713.1-155-173.6-166.4-139.53.1116.9
499G28.6Very low29.9Very low82 Ų82142.5 Ų142.585%0.84582%0.82SS**  trans97.5148.8172.200000113.8
500G29.3Very low30Very low63 Ų63147 Ų14765%0.64982%0.823SS**  cis165.4148.1-11.500000113.9
501Y30.2Very low29.8Very low251 Ų251141.3 Ų141.398%0.98481%0.807SS**  trans64.2156.8167.8-59.6-85.1000120
502G27.5Very low29.8Very low68 Ų68144.9 Ų144.970%0.70181%0.809SS**  trans142.45714500000123.3
503Y28.5Very low29.8Very low230 Ų230147.6 Ų147.690%0.90280%0.803SS**  trans61.4159.5145.7-83.8-90.3000124.8
504N27.1Very low31.4Very low151 Ų151149 Ų14981%0.80780%0.799SS**  trans-82.9166.5178.2-47.8-34000112.7
505S30.3Very low32.3Very low113 Ų113141.9 Ų141.979%0.7979%0.787SS**  174.9147.798.4-1550000116.2
506A29.6Very low32.4Very low80 Ų80149.6 Ų149.666%0.66179%0.793SS**  trans43.9116.3147.200000124.4
507S28.2Very low32.2Very low111 Ų111140.3 Ų140.378%0.77678%0.779SS**  48.6124.2116.6-45.10000122.9
508R30.7Very low32.2Very low219 Ų219142.2 Ų142.283%0.82678%0.781SS**  -175.8152.193.5-98.7-167.7147.4130.10.1114.2
509D29.2Very low32.3Very low125 Ų125136.6 Ų136.667%0.66877%0.77SS**  trans22.8145.8130.4-33.5-29000118.4
510H31.4Very low32.5Very low160 Ų160140.9 Ų140.974%0.74177%0.768SS**  cis-161.9-164.835.3-162.618.2000113.1
511E29Very low32.5Very low142 Ų142141.5 Ų141.566%0.66477%0.767SS**  trans-82.1159.3-164.5-64.7149.9-166.400116.8
512N30.5Very low32.5Very low152 Ų152136.8 Ų136.881%0.81376%0.759SS**  171.3160.1113.3-94.4-76.4000114.4
513N31.3Very low32.8Very low145 Ų145140.5 Ų140.578%0.77577%0.768SS**  trans-172.2157.3-171.5176.978.8000111.7
514P62.5Low33.1Very low99 Ų99138.3 Ų138.364%0.64377%0.766SS**  cis-107-107.7-18.731.6-10.5000110.2
515P50.8Low33.5Very low113 Ų113138.6 Ų138.673%0.73477%0.773SS**  cis-120.7144.9-5.640.5-24.6000117.9
516Y32.9Very low33.7Very low240 Ų240139.3 Ų139.394%0.94177%0.768SS**  trans38.4137140.8-115-99.9000124.2
517G27.9Very low33.9Very low67 Ų67142.8 Ų142.869%0.69177%0.771SS**  trans158.190.6141.700000121.9
518S29.8Very low34.1Very low114 Ų114143.9 Ų143.980%0.79777%0.773SS**  trans75.3167.6141.6-147.60000122.4
519L33.8Very low34.3Very low144 Ų144137.7 Ų137.775%0.75477%0.768SS**  trans72.5147.3175.1-61.5155000115.2
520E31.8Very low34.4Very low171 Ų171139.3 Ų139.380%0.79978%0.777SS**  cis-148.817112.4-150.9148.9-112.500112.4
521A29.6Very low34.7Very low77 Ų77137.9 Ų137.964%0.63678%0.78SS**  trans-149.9144.2170.100000112.2
522N30.9Very low34.9Very low152 Ų152138.9 Ų138.981%0.81379%0.79SS**  trans67.5118.7170-48.3-25000117.6
523T32.9Very low35Very low146 Ų146135 Ų13590%0.89678%0.779SS**  -165.4145.910615.60000110.9
524E35.2Very low35Very low184 Ų184133.7 Ų133.786%0.8678%0.781SS**  trans-89.1151.8172.2-60158.6115.700109.9
525T35Very low33.5Very low156 Ų156137.4 Ų137.496%0.95779%0.79SS**  trans-165.1161.1132.66.90000111.8
526D34.3Very low32.7Very low129 Ų129136.6 Ų136.669%0.6979%0.787SS**  trans-107170.9-151.5-167.715000113.8
527Q34.5Very low32.6Very low152 Ų152132.9 Ų132.971%0.7178%0.783SS**  trans61.7119.7161.6-70.5157.75700119.7
528T33Very low32.8Very low135 Ų135137.3 Ų137.383%0.82879%0.79SS**  -174.7133.596.3440000113.7
529A33.7Very low33.4Very low88 Ų88137.6 Ų137.673%0.72779%0.789SS**  trans68.4161.9137.500000124.1
530D31Very low33.1Very low159 Ų159135.7 Ų135.785%0.8579%0.794SS**  trans83.9163159.3-61.2-15.3000121.9
531T37.7Very low33Very low130 Ų130133.7 Ų133.780%0.79879%0.789SS**  trans-129.5141.6-138.4540000116.2
532D33.1Very low33.1Very low163 Ų163140.8 Ų140.887%0.87280%0.8SS**  trans47.4155.3141.3-154.922.6000122.9
533A32.8Very low33.1Very low72 Ų72142.9 Ų142.960%0.59580%0.796SS**  trans79.4101.8160.200000121.2
534S32.9Very low33.2Very low116 Ų116146.1 Ų146.181%0.81179%0.792SS**  97.3132.2124.3-61.40000123.7
535E30.3Very low33.2Very low178 Ų178148.3 Ų148.383%0.83279%0.792SS**  trans59.1103.6147.6-63.7-158133.900123.5
536S33.6Very low33.1Very low95 Ų95145.1 Ų145.166%0.66478%0.777SS**  43.4130.1128.3720000122.3
537N31.4Very low33.2Very low163 Ų163149.3 Ų149.387%0.87278%0.783SS**  -166.5155.8117.4-107.9-70.8000113.6
538L31.5Very low33.1Very low160 Ų160151.5 Ų151.584%0.83878%0.784SS**  trans-98.5-178.4170-67.3169.9000109.3
539P41.7Very low33.2Very low119 Ų119154.3 Ų154.377%0.77378%0.78SS**  cis-132.6177.8-4.841.7-26.4000114.9
540A29.4Very low33.2Very low104 Ų104161.1 Ų161.186%0.8679%0.787SS**  trans-127.9133.9158.100000111.3
541N29.3Very low33.2Very low130 Ų130159.5 Ų159.570%0.69578%0.783SS**  trans-158.7152.2-178.2-166.9-21000111.1
542R30.8Very low33.3Very low226 Ų226160.3 Ų160.385%0.85378%0.782SS**  trans84.3150.9173.4-50.7171-174.2176.63.4116.6
543R32.1Very low33.4Very low196 Ų196162.2 Ų162.274%0.7479%0.786SS**  cis176.9132.5-43.4-109.6172177.2-174.40.6110.4
544R35.1Very low33.4Very low213 Ų213167 Ų16780%0.80480%0.801SS**  trans59.5131.3145.4-64174.3168.7-175.6-5.4121.1
545R34.6Very low33.4Very low230 Ų230165.9 Ų165.987%0.86880%0.799SS**  -173.9118.1110.4-97.5161.2-173.7-1673.5109
546S32.9Very low33.9Very low90 Ų90164 Ų16463%0.62980%0.8SS**  82.2145.776.1840000113.3
547R36.5Very low34.2Very low216 Ų216167.9 Ų167.982%0.81581%0.812SS**  cis-178160.341.5-146.3165.9-168.3170.42113.9
548R31.3Very low34.3Very low199 Ų199168.6 Ų168.675%0.75181%0.813SS**  trans87.3146161.3-58.5177.2170169.5-2.5117.1
549R34.9Very low34.4Very low193 Ų193169 Ų16973%0.72882%0.816SS**  cis-171.6134.8-13.7-111.9174.5175.7177.1-4.5110.3
550R34.4Very low33.9Very low231 Ų231166.4 Ų166.487%0.87281%0.811SS**  trans54.1156.5149.2-64.7-176.3171.5-179-7.2118.1
551T31.4Very low34.2Very low125 Ų125169.5 Ų169.577%0.76781%0.81SS**  cis-126.5-174.4340.80000110.9
552D39.3Very low34.4Very low148 Ų148169.1 Ų169.179%0.79182%0.817SS**  trans-69152.9176.6-39.7-91.9000114
553E34.8Very low34.6Very low202 Ų202167.1 Ų167.194%0.94482%0.817SS**  -176.3153.7119.5-100.5175.6-163.400110.8
554D33.7Very low34.8Very low172 Ų172162.4 Ų162.492%0.9281%0.814SS**  trans-85.8143.3-176.8-97.9-46.4000113.4
555A33.5Very low34.7Very low93 Ų93160.1 Ų160.177%0.76982%0.818SS**  trans-164.4129.6148.800000112.6
556T40.4Very low34.8Very low140 Ų140156.4 Ų156.486%0.85982%0.816SS**  trans-75.6134.7164.951.10000111.1
557L39.6Very low34.7Very low175 Ų175157.3 Ų157.392%0.91683%0.828SS**  trans-136.8148.7162.4-89174.5000111.5
558M33.5Very low34.7Very low179 Ų179152.6 Ų152.688%0.88283%0.828SS**  trans-81.3152.4172.4-64175.6171.900110.7
559D34Very low35Very low167 Ų167150 Ų15089%0.89383%0.834SS**  trans-152.3148.4130.2-107.9-24.6000108.9
560G31.4Very low35Very low65 Ų65146.3 Ų146.367%0.6784%0.838SS**  cis149.13.7-3.300000116.4
561M35.5Very low34.9Very low170 Ų170144.4 Ų144.484%0.83784%0.839SS**  trans-121.8107.4-174-58.6-164.477.600112.5
562S33.8Very low35.1Very low121 Ų121146.4 Ų146.485%0.84685%0.845SS**  trans-102.4117.6157.5-65.70000107.7
563E34.1Very low34.7Very low185 Ų185142.6 Ų142.686%0.86484%0.841SS**  trans-90.6124.9166.4-67.8-176.2139.500108.4
564S36.5Very low34.6Very low97 Ų97139.8 Ų139.868%0.67884%0.838SS**  trans-144.3106.3175.363.10000109.6N566S564-N566 PolarHBondContact O-N 2.83Å
565D31.9Very low34.5Very low164 Ų164138.9 Ų138.988%0.87783%0.833SS**  trans-59.2133173.8-69.1-59.4000111
566N37Very low34.5Very low153 Ų153142.6 Ų142.682%0.81884%0.839SS**  trans-146.3100.8162.7-100.6-52.2000108.5S564S564-N566 PolarHBondContact O-N 2.83Å
567A31.4Very low34.1Very low108 Ų108140.6 Ų140.689%0.89383%0.83SS**  trans-83121.8173.300000110
568S37.4Very low33.7Very low117 Ų117141.6 Ų141.682%0.81883%0.831SS**  trans-131.9149.916660.40000110
569V36.1Very low33.7Very low144 Ų144137.5 Ų137.587%0.87383%0.825SS**  trans-119.5122.1-170-76.40000111.6
570S35.7Very low33.7Very low116 Ų116139.2 Ų139.281%0.81182%0.824SS**  trans-174.9145.2152.850.50000111.6
571E32.9Very low34.2Very low191 Ų191141.8 Ų141.889%0.89383%0.829SS**  trans103.9108.8142.7-66.3164134.700119.5
572N34.7Very low34.1Very low168 Ų168141.7 Ų141.790%0.89883%0.827SS**  trans-83.3146.3161.3-75-43.3000111.2
573G30.3Very low34Very low68 Ų68147 Ų14770%0.70183%0.829SS**  trans-168.242.4-176.600000119
574T33.6Very low33.9Very low142 Ų142150 Ų15087%0.87183%0.832SS**  trans40.8133.1155.3510000121.6
575D31.5Very low33.7Very low154 Ų154153 Ų15382%0.82484%0.84SS**  trans-47.6151.9165.4-64-81.6000115.2
576L32.8Very low33.7Very low171 Ų171157.5 Ų157.590%0.89585%0.845SS**  -162.3146.2112.5-104.4168.8000112.7
577S32.8Very low33.5Very low97 Ų97155 Ų15568%0.67884%0.839SS**  trans-86.6152.4178.756.70000112.9
578E31.7Very low33.6Very low197 Ų197161 Ų16192%0.92184%0.839SS**  -166.2178121.6-113.4-176.8-178.300115.6
579A32.7Very low33.3Very low93 Ų93167.1 Ų167.177%0.76984%0.844SS**  trans-93.9168-154.700000117.1
580K34.5Very low33.1Very low202 Ų202171.6 Ų171.688%0.87885%0.845SS**  trans-69.9149.2168.4-64.1168.6179.2166.60111.3
581P41.8Very low33Very low119 Ų119177.7 Ų177.777%0.77385%0.851SS**  -138.2134102.625.1-7.2000112.6
582Q32.2Very low32.9Very low168 Ų168177 Ų17779%0.78585%0.85SS**  82.9101.769.2-160.7-174.830.600115.7
583R32.8Very low32.8Very low234 Ų234180.4 Ų180.488%0.88385%0.85SS**  trans51.8117.5154.9-71-180160.5-170.1-4.3120.4
584R31.4Very low33Very low246 Ų246185 Ų18593%0.92886%0.857SS**  -161.1143.9112.1-134.1171.8178.5165.60.3114.2
585N32Very low33.2Very low161 Ų161183.9 Ų183.986%0.86185%0.853SS**  trans-80.9142.1173.3-67.2-11000111.9
586R32.1Very low33.4Very low258 Ų258185.6 Ų185.697%0.97486%0.856SS**  trans-151.9159.1149.9-115.7174.3-177.1174.20.5110.5
587S32.9Very low33.5Very low100 Ų100186.7 Ų186.770%0.69986%0.856SS**  trans-125.6157.2-155.565.30000115
588R33.9Very low33.8Very low236 Ų236193.6 Ų193.689%0.89187%0.867SS**  trans65.9104.3159.7-60.8173.3176-177.4-1.8117.6
589R31Very low34.3Very low245 Ų245192.5 Ų192.593%0.92586%0.862SS**  -154.1143.1124.1-117.5176.2-176.5-166.21.2113.6
590R31.4Very low34.8Very low237 Ų237194 Ų19489%0.89486%0.864SS**  trans1.6144170.6-68.3179.1172.2175.9-4.2121.6
591R33.2Very low35.4Very low244 Ų244189.8 Ų189.892%0.92186%0.855SS**  trans-54.8143.2167.5-58.8173.3175.8177.6-3.7112.8
592M32.3Very low36.4Very low177 Ų177188.1 Ų188.187%0.87284%0.843SS**  trans-133.7147131.3-76.2-61.8-76.800107.4
593R32.3Very low37.2Very low239 Ų239186 Ų18690%0.90284%0.841SS**  trans-90.4143.8166.4-90-179.5166.9167.5-8.1108.3
594L33.4Very low37.9Very low164 Ų164178 Ų17886%0.85982%0.824SS**  trans-111.6163.9162.1-74.9171000108.9
595P38.3Very low38.7Very low119 Ų119170.1 Ų170.177%0.77380%0.801SS**PPolyproline II helixtrans-70.3160.1-164.4-20.534.3000114.8
596E37Very low39.3Very low190 Ų190172.1 Ų172.189%0.88880%0.798SS**PPolyproline II helixtrans-71.9124.4168-69.8163113.400110.4
597E33Very low40.2Very low194 Ų194166.2 Ų166.291%0.90778%0.784SS**PPolyproline II helixtrans-69.8133159.5-80.6-175.6129.200109.4
598R39.6Very low40.8Very low243 Ų243166.6 Ų166.692%0.91779%0.787SS**PPolyproline II helixtrans-78.9127.8180-68.2-180173.2-170.8-2.6110
599Q42.3Very low41.3Very low174 Ų174165.8 Ų165.881%0.81378%0.784SS**PPolyproline II helixtrans-62.7147.5164.2-68.9-179.1-15.200110.4V601Q599-V601 PolarHBondContact O-N 3.39Å
600P44.3Very low41.6Very low123 Ų123158.5 Ų158.580%0.79978%0.776SS**PPolyproline II helixtrans-67.6124.9176.427.8-33.6000110.6
601V46.1Very low41.8Very low114 Ų114156 Ų15669%0.69178%0.775SS**PPolyproline II helixtrans-72.7140.2178.2178.80000109.8Q599 D605Q599-V601 PolarHBondContact O-N 3.39Å; V601-D605 HydrophobicContact CG1-CB 3.5Å
602T62.2Low41.8Very low84 Ų84149.6 Ų149.652%0.51577%0.767SS.*PPolyproline II helixtrans-96.9163-178.469.80000111.8A604 D605T602-A604 PolarHBondContact O-N 2.84Å; T602-A604 VanDerWaalsContact O-N 3.15Å; T602-D605 PolarHBondContact N-OD2 2.82Å; T602-D605 WeakPolarHBondContact O-CB 3.47Å; T602-D605 PolarHBondContact O-N 2.86Å; T602-D605 VanDerWaalsContact O-N 3.12Å; T602-D605 PolarHBondContact OG1-OD2 3.42Å
603V49.9Very low41.9Very low125 Ų125149.3 Ų149.376%0.75876%0.764SS**G310 helixtrans-60.3-27-178.9-178.30000112.4D605 Y606V603-D605 PolarHBondContact O-N 2.79Å; V603-Y606 PolarHBondContact O-N 3.41Å
604A46.9Very low42Very low64 Ų64143.3 Ų143.353%0.52976%0.759SS.*G310 helixtrans-62.8-38.9176.500000112.9T602 Y606 I607T602-A604 PolarHBondContact O-N 2.84Å; T602-A604 VanDerWaalsContact O-N 3.15Å; A604-Y606 PolarHBondContact O-N 2.83Å; A604-Y606 VanDerWaalsContact O-N 3.13Å; A604-I607 PolarHBondContact O-N 2.87Å
605D48.3Very low42.1Very low81 Ų81145.9 Ų145.943%0.43376%0.757SS.*G310 helixtrans-64.3-20.3-176.7-61.2-69.4000113.4V601 T602 V603V601-D605 HydrophobicContact CG1-CB 3.5Å; T602-D605 PolarHBondContact N-OD2 2.82Å; T602-D605 WeakPolarHBondContact O-CB 3.47Å; T602-D605 PolarHBondContact O-N 2.86Å; T602-D605 VanDerWaalsContact O-N 3.12Å; T602-D605 PolarHBondContact OG1-OD2 3.42Å; V603-D605 PolarHBondContact O-N 2.79Å
606Y45.5Very low41.8Very low204 Ų204147.9 Ų147.980%0.876%0.756SS**G310 helixtrans-81.3-22.6-179.4-129.6-86.6000113.4V603 A604V603-Y606 PolarHBondContact O-N 3.41Å; A604-Y606 PolarHBondContact O-N 2.83Å; A604-Y606 VanDerWaalsContact O-N 3.13Å
607I51.2Low41.6Very low133 Ų133146.9 Ų146.968%0.68275%0.753SS**THydrogen-bonded Turntrans-87.2-35.4-176.7-59.1175.1000110.5A604 R609A604-I607 PolarHBondContact O-N 2.87Å; I607-R609 VanDerWaalsContact C-N 3.29Å; I607-R609 PolarHBondContact O-N 3.23Å
608S44.1Very low41.4Very low108 Ų108143.2 Ų143.276%0.75574%0.744SS**THydrogen-bonded Turntrans-83.118.3-172.8-54.10000115.9
609R44.8Very low41Very low219 Ų219136.1 Ų136.183%0.82674%0.737SS**THydrogen-bonded Turntrans-127.84.3-176-96.7-177.8173.2155.92.6116.1I607 E611I607-R609 VanDerWaalsContact C-N 3.29Å; I607-R609 PolarHBondContact O-N 3.23Å; R609-E611 VanDerWaalsContact C-N 3.26Å; R609-E611 PolarHBondContact O-N 2.85Å; R609-E611 VanDerWaalsContact O-N 3.16Å
610A36.7Very low40.5Very low93 Ų93136.9 Ų136.977%0.76974%0.738SS**SBendtrans-82.322.6-173.200000115.4
611E36.8Very low40Very low185 Ų185137.3 Ų137.386%0.86473%0.734SS**  trans-157.5106.5174.8-129.8172.1-150.900114.1R609R609-E611 VanDerWaalsContact C-N 3.26Å; R609-E611 PolarHBondContact O-N 2.85Å; R609-E611 VanDerWaalsContact O-N 3.16Å
612S32.4Very low39.3Very low109 Ų109136.7 Ų136.776%0.76273%0.73SS**  trans164.4122.4144.2-81.10000113.5
613Q34.9Very low38Very low170 Ų170141.2 Ų141.279%0.79474%0.743SS**  trans38.6113143.2-50.2-176.523.500118.1
614S33.2Very low37.2Very low114 Ų114143.3 Ų143.380%0.79774%0.741SS**  559252.1-1640000115.1
615R35.8Very low36.3Very low218 Ų218146.6 Ų146.682%0.82375%0.75SS**  trans-162.8137.2140.5-108.4162.9-162-102.54.1113.5
616Q32.9Very low35.5Very low160 Ų160150.3 Ų150.375%0.74876%0.762SS**  trans-21.2141.3166.9-61.1153.3-44.100118.5
617M33Very low34.7Very low170 Ų170147.8 Ų147.884%0.83776%0.758SS**  -162161.1111.8-99.8-85.183.100110.9
618T28.2Very low33.7Very low117 Ų117148.1 Ų148.172%0.71877%0.766SS**  trans-116.6138.7-160.650.10000114.9
619A31.1Very low33Very low93 Ų93146 Ų14677%0.76976%0.761SS**  trans12135.1151.700000121.3
620K32.5Very low32.3Very low191 Ų191145.2 Ų145.283%0.8377%0.767SS**  -165.6127.2126.7-110.2166.3-177.7176.50114.1
621D33Very low31.9Very low132 Ų132145 Ų14571%0.70677%0.765SS**  39.9139.6126.1-64.7-30.2000120.8
622T32.1Very low31.6Very low101 Ų101145 Ų14562%0.6277%0.765SS**  cis-168.2172.818.370000112.6
623K33.7Very low31.5Very low178 Ų178145.3 Ų145.377%0.77476%0.762SS**  trans74.8143150.7-75.8154.3-171.9168.10117.2
624K32.8Very low31.3Very low169 Ų169144.5 Ų144.574%0.73576%0.761SS**  cis-164.9163.4-8.8-138-174.8174.2-173.80111.1
625N29.6Very low31.1Very low133 Ų133143 Ų14371%0.71176%0.756SS**  trans68.6151.8156.9-69.12.4000117.7
626K31.4Very low30.8Very low159 Ų159141 Ų14169%0.69176%0.756SS**  cis-169.1166.7-24.1-167.5-163.8163.9-142.20106.9
627E27.6Very low30.9Very low152 Ų152142.6 Ų142.671%0.7176%0.763SS**  trans81.6147.4163.4-56.1-167.9158.500116.1
628V31.7Very low30.8Very low139 Ų139139.6 Ų139.684%0.84276%0.759SS**  cis-177.7142.6-35.5126.50000104.3
629G28.5Very low31.6Very low63 Ų63138.5 Ų138.565%0.64975%0.754SS**  trans158.660.9171.800000119.6
630Q30Very low31.8Very low203 Ų203142.5 Ų142.595%0.94976%0.756SS**  trans62.3158148.3-67.5168.2-23.900119.9
631A29.2Very low31.8Very low88 Ų88138.1 Ų138.173%0.72775%0.75SS**  trans-139.5-168.4170.800000107.5
632E30.5Very low31.7Very low185 Ų185136.2 Ų136.286%0.86475%0.752SS**  trans76.8145.4173.7-57.3-163.6161.700115.6
633V29.9Very low32.5Very low117 Ų117137.1 Ų137.171%0.70976%0.76SS**  cis-161.2179.2-10.2116.80000109.4
634I30.8Very low32.5Very low152 Ų152132.7 Ų132.778%0.77976%0.757SS**  trans74.7122.7177.3-35.7-172.7000113.6
635A28.9Very low32.4Very low83 Ų83131.2 Ų131.269%0.68676%0.762SS**  cis104.7145.713.900000116.2
636E29.3Very low32.5Very low177 Ų177130 Ų13083%0.82776%0.759SS**  trans53.3110.4168.1-59.1-170.1167.300120
637H34.3Very low32.4Very low193 Ų193130 Ų13089%0.89477%0.767SS**  -156.2127.1102.4-107.4-71.5000112.5
638S31.2Very low32.5Very low106 Ų106126 Ų12674%0.74177%0.766SS**  trans-109.2-176.5164.5-132.10000107.6
639P46.4Very low32.6Very low95 Ų95124.7 Ų124.762%0.61776%0.764SS**  cis-151.217334.745.1-24.5000119.6
640Q33.6Very low32.8Very low176 Ų176127.7 Ų127.782%0.82277%0.765SS**  trans61156.5138.3-75.7158.1-9.100121.3
641S33.1Very low33Very low99 Ų99123.9 Ų123.969%0.69275%0.751SS**  cis-173.3136.7-24.152.90000108.1
642A30.4Very low33.1Very low92 Ų92126.1 Ų126.176%0.7675%0.751SS**  59.5167.294.300000115.6
643P50.1Low33.1Very low120 Ų120122.9 Ų122.978%0.77974%0.743SS**  cis-121.9158.5-1.540.8-25.2000113.4
644A33.5Very low33.1Very low86 Ų86121.7 Ų121.771%0.71174%0.74SS**  83.8139.264.300000117.2
645T30.6Very low33Very low138 Ų138122.1 Ų122.185%0.84774%0.744SS**  trans-179.3160.3153.919.20000108.7
646T32.4Very low33.2Very low106 Ų106122.3 Ų122.365%0.6575%0.746SS**  -159.5149.4-8324.60000111.5
647N29.5Very low34.1Very low160 Ų160119 Ų11986%0.85674%0.74SS**  trans69.8147.2165.5-47-20.3000117.3
648G28.6Very low33.9Very low67 Ų67115.7 Ų115.769%0.69173%0.733SS**  cis147.5132.4-14.800000115.2
649S34.8Very low33.7Very low113 Ų113114.7 Ų114.779%0.7973%0.732SS**  trans67.9153.5157.7-68.10000119.4
650N32.4Very low32.9Very low126 Ų126115.3 Ų115.367%0.67474%0.738SS**  cis-164.8176.8-11-10525.6000106.2
651D34.5Very low32.6Very low122 Ų122111.9 Ų111.965%0.65273%0.734SS**  cis-161.9-178.33.3-116.6-23000111
652D30.7Very low32.3Very low136 Ų136112.7 Ų112.773%0.72774%0.738SS**  trans73.5109.6142.1-81.2-5000126.3
653V30.9Very low32.2Very low116 Ų116117 Ų11770%0.70374%0.742SS**  99.2126110.7166.60000124.1
654S30Very low31.2Very low92 Ų92121.7 Ų121.764%0.64374%0.744SS**  trans74.1124.115165.80000124
655D28.3Very low31Very low161 Ų161123.7 Ų123.786%0.86174%0.743SS**  60.2126126.7-61.5-20.7000124.1
656A32.4Very low31.1Very low87 Ų87122.4 Ų122.472%0.71974%0.739SS**  trans-83.5172.5148.400000108.9
657P48.6Very low31.2Very low108 Ų108124.1 Ų124.170%0.70175%0.745SS**  -159.1-163.554.139.2-13.3000117.5
658T29.1Very low31.9Very low123 Ų123122.1 Ų122.176%0.75574%0.741SS**  trans80.7114.8144.436.80000123.3
659A28.2Very low32.1Very low86 Ų86127.1 Ų127.171%0.71175%0.746SS**  96.4155.6111.100000122
660S29Very low32.7Very low108 Ų108127.3 Ų127.376%0.75574%0.744SS**  trans58.8121.7168.743.60000117.9
661S27.8Very low32.7Very low104 Ų104127.7 Ų127.773%0.72775%0.751SS**  cis93.912729.979.30000115.5
662C26.7Very low32.9Very low115 Ų115127.5 Ų127.578%0.77775%0.754SS**  trans69.4100.5155.9-57.70000119.4
663Q28.7Very low33.1Very low182 Ų182129 Ų12985%0.8576%0.762SS**  174.5142.6116.7-89.8167.217.700108.2
664R28.3Very low33.2Very low219 Ų219126.6 Ų126.683%0.82676%0.761SS**  49.5127.979.1-86.3-162.7-170.9-172.94.1111.7
665D28.8Very low33.6Very low129 Ų129130.6 Ų130.669%0.6977%0.774SS**  cis-153.3-166.326.8-92.5-44.5000112.4
666S32.5Very low34.1Very low110 Ų110132.4 Ų132.477%0.76980%0.8SS**  trans83.796.9153.3-58.90000119.6
667N36.3Very low34.1Very low143 Ų143134.7 Ų134.777%0.76580%0.804SS**  trans-58.4151.2145.6-163.319.6000110.3
668P42.6Very low33.4Very low118 Ų118136.1 Ų136.177%0.76681%0.809SS**  -137.2137127.435.6-25.1000114
669Q33.5Very low33.6Very low171 Ų171136.8 Ų136.880%0.79981%0.812SS**  trans-87.7163.7160.9-105.7-163.9-17.600111.1
670P48.1Very low33.9Very low117 Ų117139.8 Ų139.876%0.7682%0.818SS**  trans-87.8157.5-157.934.6-37.7000114.8
671V32.3Very low34.2Very low134 Ų134141.8 Ų141.881%0.81282%0.822SS**  trans-131.1109.5165.7178.70000110.5
672V37.3Very low34.7Very low119 Ų119144.3 Ų144.372%0.72183%0.828SS**  trans30.5119.4137.1-171.80000118.4
673N35.6Very low35.2Very low166 Ų166146.4 Ų146.489%0.88883%0.832SS**  -163.6140.7118.5-97.8-34.1000111.4
674G33.3Very low35.7Very low66 Ų66143.7 Ų143.768%0.6883%0.831SS**  trans-132.1145.416400000108.8
675L39.1Very low36.4Very low176 Ų176137.4 Ų137.492%0.92183%0.831SS**  trans-17498.4165.5-109.7171.6000110.4
676S37Very low37Very low200 Ų200138.2 Ų138.2100%1.39984%0.844SS**  trans-175.40151-76.20000108.2

Retrieved 676 of 676 residues in 535.9 ms (Link to these results)

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