A0A060YF38_ONCMY Loading...

PWWP domain-containing protein

AlphaFold DB , UniProt , Accession A0A060YF38, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110496345, Length 224 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.2Very low63.6Low228 Ų228127 Ų127100%1.12360%0.596SS**  0124.90-64.7138.8174.200108.2R3M1-R3 PolarHBondContact O-N 2.73Å
2P47.1Very low65.7Low120 Ų120122.5 Ų122.578%0.77959%0.585SS**  trans-70.7124.8-179.329.2-32.9000110.2
3R55Low67.5Low215 Ų215117.1 Ų117.181%0.81158%0.582SS**  trans-107.369.9168.4-73-177.3173.1143.6-4.2108.1M1 N5M1-R3 PolarHBondContact O-N 2.73Å; R3-N5 PolarHBondContact O-N 3.26Å
4S57.1Low69.3Low66 Ų66112.9 Ų112.946%0.46256%0.563SS.*THydrogen-bonded Turntrans-63.9-20.3-171.1-44.80000114.4R6S4-R6 PolarHBondContact O-N 3.1Å
5N57.3Low70.9Confident52 Ų52108.9 Ų108.928%0.27854%0.544SS..THydrogen-bonded Turntrans-76.321.9-178.1-104.162.2000115.3R3 Q7 L63 F64R3-N5 PolarHBondContact O-N 3.26Å; N5-Q7 PolarHBondContact O-N 3.26Å; N5-L63 PolarHBondContact ND2-O 3.35Å; N5-F64 HydrophobicContact CB-CE1 4.45Å; N5-F64 WeakPolarHBondContact ND2-CE1 3.35Å; N5-F64 WeakPolarHBondContact OD1-CD1 3.48Å; N5-F64 WeakPolarHBondContact OD1-CE1 3.44Å
6R53.8Low72.3Confident190 Ų190102.1 Ų102.172%0.71751%0.51SS*.SBendtrans-85.891.9176.4-171.5176.2-64.7-117.40.5110.1S4S4-R6 PolarHBondContact O-N 3.1Å
7Q58.9Low73.6Confident167 Ų16796.1 Ų96.178%0.7848%0.48SS*.  trans64.851.3162.1-54.1168.8-94.800114.8N5N5-Q7 PolarHBondContact O-N 3.26Å
8K71.9Confident74.8Confident97 Ų9790.8 Ų90.842%0.42245%0.453SS..PPolyproline II helixtrans-72.9124152.8-77-176.3173-174.90108.1Y10 P65 E68K8-Y10 HydrophobicContact CB-CE1 4.46Å; K8-Y10 HydrophobicContact CB-CE2 4.46Å; K8-P65 HydrophobicContact CD-CG 3.72Å; K8-E68 IonicContact NZ-OE1 2.61Å; K8-E68 PolarHBondContact NZ-OE1 2.76Å
9E83.4Confident75.9Confident137 Ų13789.3 Ų89.364%0.6444%0.443SS*.PPolyproline II helixtrans-84.6124.8168.6-177.8173.7-85.600107.5K11 Y45E9-K11 IonicContact OE2-NZ 2.76Å; E9-K11 PolarHBondContact OE2-NZ 3.01Å; E9-Y45 WeakPolarHBondContact CG-OH 3.46Å
10Y87.2Confident76.7Confident13 Ų1387.6 Ų87.65%0.05144%0.435CS..PPolyproline II helixtrans-96.7152.5-179-60.1-81.1000111.1K8 D14 V16 I30 Y45 P60 L63 P65K8-Y10 HydrophobicContact CB-CE1 4.46Å; K8-Y10 HydrophobicContact CB-CE2 4.46Å; Y10-D14 VanDerWaalsContact CA-OD2 3.27Å; Y10-D14 WeakPolarHBondContact CA-OD2 3.42Å; Y10-D14 HydrophobicContact CD1-CB 4.34Å; Y10-V16 HydrophobicContact CD1-CG1 3.73Å; Y10-V16 HydrophobicContact CE1-CG1 3.59Å; Y10-V16 HydrophobicContact CG-CG1 4.49Å; Y10-I30 HydrophobicContact CG-CG1 4.44Å; Y10-Y45 HydrophobicContact CD2-CD2 4.35Å; Y10-Y45 HydrophobicContact CD2-CE2 4.01Å; Y10-Y45 PolarHBondContact N-OH 2.92Å; Y10-Y45 WeakPolarHBondContact O-CE1 3.41Å; Y10-P60 HydrophobicContact CD2-CB 4.5Å; Y10-P60 HydrophobicContact CE2-CB 4.3Å; Y10-L63 HydrophobicContact CD2-CB 4.19Å; Y10-L63 HydrophobicContact CD2-CD1 4.1Å; Y10-L63 HydrophobicContact CE2-CB 3.55Å; Y10-L63 HydrophobicContact CE2-CD1 4.27Å; Y10-L63 VanDerWaalsContact OH-C 3.27Å; Y10-L63 PolarHBondContact OH-O 3.24Å; Y10-P65 HydrophobicContact CE1-CG 4.34Å; Y10-P65 WeakPolarHBondContact OH-CD 3.45Å
11K89.6Confident77.5Confident112 Ų11293 Ų9349%0.48746%0.456SS..  trans-110.8154.8175.7-59.2-58.8171.5-165.60110.4E9 G13 D14 I30E9-K11 IonicContact OE2-NZ 2.76Å; E9-K11 PolarHBondContact OE2-NZ 3.01Å; K11-G13 PolarHBondContact O-N 3.03Å; K11-D14 PolarHBondContact N-OD2 3.16Å; K11-D14 VanDerWaalsContact O-CB 3.25Å; K11-D14 WeakPolarHBondContact O-CB 3.4Å; K11-D14 PolarHBondContact O-N 2.75Å; K11-D14 VanDerWaalsContact O-N 3.07Å; K11-I30 WeakPolarHBondContact O-CB 3.49Å
12P89Confident80.1Confident73 Ų7384.9 Ų84.947%0.47443%0.431SS..THydrogen-bonded Turntrans-56138.3170.225.3-34.5000110.6E32P12-E32 HydrophobicContact CB-CB 3.83Å; P12-E32 HydrophobicContact CB-CG 4.37Å; P12-E32 HydrophobicContact CG-CB 4.46Å; P12-E32 HydrophobicContact CG-CG 4.47Å
13G89.6Confident82.3Confident52 Ų5284 Ų8454%0.53641%0.413SS..THydrogen-bonded Turntrans90.2-15.9-171.200000115.1K11 L15 I30K11-G13 PolarHBondContact O-N 3.03Å; G13-L15 PolarHBondContact O-N 3.49Å; G13-I30 PolarHBondContact N-O 2.78Å
14D92.2Very high84.2Confident59 Ų5975.7 Ų75.732%0.31639%0.386SS..  trans-61.7128.7179.9-81.1-9.6000111.9Y10 K11 R29 I30Y10-D14 VanDerWaalsContact CA-OD2 3.27Å; Y10-D14 WeakPolarHBondContact CA-OD2 3.42Å; Y10-D14 HydrophobicContact CD1-CB 4.34Å; K11-D14 PolarHBondContact N-OD2 3.16Å; K11-D14 VanDerWaalsContact O-CB 3.25Å; K11-D14 WeakPolarHBondContact O-CB 3.4Å; K11-D14 PolarHBondContact O-N 2.75Å; K11-D14 VanDerWaalsContact O-N 3.07Å; D14-R29 CarbonylContact O-C 3.41Å; D14-R29 VanDerWaalsContact O-CA 3.26Å; D14-R29 WeakPolarHBondContact O-CA 3.5Å; D14-I30 HydrophobicContact CB-CB 4.44Å; D14-I30 HydrophobicContact CB-CG1 3.97Å; D14-I30 PolarHBondContact O-N 2.8Å
15L93.1Very high86Confident53 Ų5374.5 Ų74.528%0.27737%0.373SS..EExtended strand (participates in β ladder)trans-81.8126.1175.1-57.9-173.5000110.7G13 R29 F50 Y66 I89 P93G13-L15 PolarHBondContact O-N 3.49Å; L15-R29 HydrophobicContact CD2-CB 3.91Å; L15-F50 HydrophobicContact CD2-CE2 4.18Å; L15-F50 HydrophobicContact CD2-CZ 4.19Å; L15-Y66 HydrophobicContact CB-CG 4.23Å; L15-Y66 VanDerWaalsContact O-CB 3.24Å; L15-Y66 WeakPolarHBondContact O-CB 3.47Å; L15-Y66 PolarHBondContact O-N 3.08Å; L15-I89 HydrophobicContact CB-CD1 4.26Å; L15-I89 HydrophobicContact CB-CG1 4.4Å; L15-I89 HydrophobicContact CD1-CG1 4.03Å; L15-I89 HydrophobicContact CD2-CD1 4.49Å; L15-I89 HydrophobicContact CD2-CG1 4.11Å; L15-I89 HydrophobicContact CG-CG1 4.4Å; L15-P93 HydrophobicContact CD1-CB 4.05Å; L15-P93 HydrophobicContact CD2-CB 3.85Å
16V94.1Very high87.8Confident0 Ų072.5 Ų72.50%036%0.362CS..EExtended strand (participates in β ladder)trans-140.6154.6-172.8-66.90000111.9Y10 A28 I30 V47 L63 F64Y10-V16 HydrophobicContact CD1-CG1 3.73Å; Y10-V16 HydrophobicContact CE1-CG1 3.59Å; Y10-V16 HydrophobicContact CG-CG1 4.49Å; V16-A28 HydrophobicContact CG2-CB 4.16Å; V16-A28 PolarHBondContact N-O 2.87Å; V16-A28 CarbonylContact O-C 3.44Å; V16-A28 WeakPolarHBondContact O-CA 3.48Å; V16-A28 PolarHBondContact O-N 3.28Å; V16-I30 HydrophobicContact CG1-CD1 4.32Å; V16-I30 HydrophobicContact CG1-CG1 4.37Å; V16-I30 HydrophobicContact CG2-CD1 3.81Å; V16-I30 HydrophobicContact CG2-CG1 4.35Å; V16-V47 HydrophobicContact CG2-CG1 4.49Å; V16-L63 HydrophobicContact CG2-CD2 4.17Å; V16-F64 CarbonylContact C-O 3.03Å; V16-F64 WeakPolarHBondContact CA-O 3.45Å; V16-F64 WeakPolarHBondContact CB-O 3.41Å
17F94.5Very high89.8Confident0 Ų063.5 Ų63.50%033%0.328CS..EExtended strand (participates in β ladder)trans-91123.4155.8-75-81.2000109.3H25 W26 P27 F64 Y66 G69 F73 L86F17-H25 HydrophobicContact CB-CB 4.18Å; F17-H25 HydrophobicContact CD1-CB 4.32Å; F17-W26 CarbonylContact C-O 3.57Å; F17-W26 WeakPolarHBondContact CA-O 3.21Å; F17-P27 HydrophobicContact CE1-CB 4.22Å; F17-F64 HydrophobicContact CB-CB 4.3Å; F17-F64 PolarHBondContact N-O 3.41Å; F17-F64 PolarHBondContact O-N 3.2Å; F17-Y66 AromaticContact CD2-CD2 3.98Å; F17-Y66 HydrophobicContact CD2-CD2 3.98Å; F17-Y66 AromaticContact CE2-CD2 3.29Å; F17-Y66 HydrophobicContact CE2-CD2 3.29Å; F17-Y66 AromaticContact CE2-CE2 3.7Å; F17-Y66 HydrophobicContact CE2-CE2 3.7Å; F17-Y66 HydrophobicContact CE2-CG 4.19Å; F17-Y66 AromaticContact CZ-CD2 3.67Å; F17-Y66 HydrophobicContact CZ-CD2 3.67Å; F17-Y66 AromaticContact CZ-CE2 3.63Å; F17-Y66 HydrophobicContact CZ-CE2 3.63Å; F17-G69 VanDerWaalsContact CE2-C 3.47Å; F17-F73 HydrophobicContact CB-CD2 4.36Å; F17-F73 HydrophobicContact CD1-CB 3.92Å; F17-F73 HydrophobicContact CD2-CB 4.46Å; F17-F73 HydrophobicContact CD2-CD2 4.32Å; F17-F73 HydrophobicContact CE1-CB 3.87Å; F17-F73 HydrophobicContact CE2-CB 4.41Å; F17-F73 HydrophobicContact CG-CB 4.22Å; F17-F73 HydrophobicContact CG-CD2 4.2Å; F17-F73 HydrophobicContact CZ-CB 4.12Å; F17-L86 HydrophobicContact CE1-CD2 4.12Å; F17-L86 HydrophobicContact CZ-CD2 4.27Å
18A95.1Very high91.5Very high0 Ų055.5 Ų55.50%029%0.291CS..EExtended strand (participates in β ladder)trans-99.6137.6177.200000111.1W26 A28 V47 F49 L58 L63A18-W26 PolarHBondContact N-O 3.34Å; A18-W26 PolarHBondContact O-N 3.04Å; A18-A28 HydrophobicContact CB-CB 3.89Å; A18-V47 HydrophobicContact CB-CG1 3.93Å; A18-F49 HydrophobicContact CB-CD1 4.41Å; A18-F49 HydrophobicContact CB-CE1 3.52Å; A18-F49 HydrophobicContact CB-CZ 3.93Å; A18-L58 HydrophobicContact CB-CD2 4.44Å; A18-L63 HydrophobicContact CB-CD2 3.85Å
19K94.4Very high92.6Very high62 Ų6251.5 Ų51.527%0.2727%0.273SS..EExtended strand (participates in β ladder)trans-114.7109.5-177.1-175.267.6-175.791.20111.5Y23 D62 F64K19-Y23 PolarHBondContact NZ-O 2.6Å; K19-D62 PolarHBondContact N-O 3.28Å; K19-F64 HydrophobicContact CB-CD2 4.4Å; K19-F64 HydrophobicContact CB-CE2 3.79Å
20M92.9Very high93Very high55 Ų5545.1 Ų45.127%0.27124%0.243SC..  trans-108.1168.1170.567.317176.900112.4G22 Y23 F49M20-G22 PolarHBondContact O-N 2.82Å; M20-Y23 HydrophobicContact CG-CD2 3.63Å; M20-Y23 HydrophobicContact CG-CG 3.78Å; M20-Y23 HydrophobicContact SD-CD1 4.28Å; M20-Y23 HydrophobicContact SD-CD2 3.42Å; M20-Y23 WeakPolarHBondContact SD-CD2 3.5Å; M20-Y23 HydrophobicContact SD-CE2 3.8Å; M20-Y23 HydrophobicContact SD-CG 3.71Å; M20-F49 HydrophobicContact CE-CD1 4.23Å; M20-F49 HydrophobicContact CE-CD2 4.35Å; M20-F49 HydrophobicContact CE-CE1 3.53Å; M20-F49 HydrophobicContact CE-CE2 3.71Å; M20-F49 HydrophobicContact CE-CZ 3.25Å
21K93.8Very high93.1Very high202 Ų20245.5 Ų45.588%0.87825%0.246SC*.THydrogen-bonded Turntrans-70.9126179.5-175.1-175.3174.676.70110.4Y23K21-Y23 WeakPolarHBondContact O-CD2 3.3Å
22G92.9Very high92.9Very high58 Ų5845.1 Ų45.160%0.59825%0.246SC*.THydrogen-bonded Turntrans87.9-8.3177.500000116.3M20 R79M20-G22 PolarHBondContact O-N 2.82Å; G22-R79 PolarHBondContact O-NH2 2.83Å
23Y92.9Very high92.2Very high102 Ų10243.1 Ų43.140%0.423%0.231SC..SBendtrans-113.1158178.8-65.7-108.1000111.1K19 M20 K21 W26K19-Y23 PolarHBondContact NZ-O 2.6Å; M20-Y23 HydrophobicContact CG-CD2 3.63Å; M20-Y23 HydrophobicContact CG-CG 3.78Å; M20-Y23 HydrophobicContact SD-CD1 4.28Å; M20-Y23 HydrophobicContact SD-CD2 3.42Å; M20-Y23 WeakPolarHBondContact SD-CD2 3.5Å; M20-Y23 HydrophobicContact SD-CE2 3.8Å; M20-Y23 HydrophobicContact SD-CG 3.71Å; K21-Y23 WeakPolarHBondContact O-CD2 3.3Å; Y23-W26 HydrophobicContact CD1-CE3 4.16Å; Y23-W26 AromaticContact CD1-CZ3 3.93Å; Y23-W26 HydrophobicContact CD1-CZ3 3.93Å
24P94.1Very high91.3Very high39 Ų3945.1 Ų45.125%0.25323%0.234SC..  trans-63.4179.2167.729-35.4000111.6W26 T77 F82P24-W26 HydrophobicContact CG-CE3 4.08Å; P24-W26 HydrophobicContact CG-CZ3 4.36Å; P24-W26 PolarHBondContact O-N 3.13Å; P24-T77 HydrophobicContact CG-CG2 4.01Å; P24-F82 HydrophobicContact CB-CE2 4.24Å; P24-F82 HydrophobicContact CG-CD2 4Å; P24-F82 HydrophobicContact CG-CE2 3.85Å
25H95.4Very high89.6Confident41 Ų4150.4 Ų50.419%0.1926%0.257CS..EExtended strand (participates in β ladder)trans-70110.7166-67.491.5000107.8F17 F64 F73 F82F17-H25 HydrophobicContact CB-CB 4.18Å; F17-H25 HydrophobicContact CD1-CB 4.32Å; H25-F64 AromaticContact CD2-CD2 3.86Å; H25-F64 AromaticContact CD2-CE2 3.91Å; H25-F64 AromaticContact NE2-CE2 3.93Å; H25-F73 HydrophobicContact CB-CB 3.94Å; H25-F73 HydrophobicContact CB-CD1 3.95Å; H25-F73 HydrophobicContact CB-CD2 3.78Å; H25-F73 HydrophobicContact CB-CE1 4.43Å; H25-F73 HydrophobicContact CB-CE2 4.26Å; H25-F73 HydrophobicContact CB-CG 3.61Å; H25-F73 AromaticContact CD2-CE2 3.76Å; H25-F73 AromaticContact CD2-CZ 3.85Å; H25-F73 AromaticContact CE1-CE1 3.45Å; H25-F73 VanDerWaalsContact CE1-CE1 3.45Å; H25-F73 WeakPolarHBondContact CE1-CE1 3.31Å; H25-F73 AromaticContact CE1-CZ 3.4Å; H25-F73 WeakPolarHBondContact CE1-CZ 3.49Å; H25-F73 AromaticContact CG-CD1 3.82Å; H25-F73 AromaticContact CG-CD2 3.82Å; H25-F73 AromaticContact CG-CE1 3.8Å; H25-F73 AromaticContact CG-CE2 3.78Å; H25-F73 AromaticContact CG-CG 3.84Å; H25-F73 AromaticContact CG-CZ 3.78Å; H25-F73 AromaticContact ND1-CD1 3.48Å; H25-F73 WeakPolarHBondContact ND1-CD1 3.47Å; H25-F73 AromaticContact ND1-CE1 3.21Å; H25-F73 WeakPolarHBondContact ND1-CE1 3.29Å; H25-F73 AromaticContact ND1-CE2 4Å; H25-F73 AromaticContact ND1-CZ 3.49Å; H25-F73 WeakPolarHBondContact ND1-CZ 3.41Å; H25-F73 AromaticContact NE2-CE2 4Å; H25-F73 AromaticContact NE2-CZ 3.66Å; H25-F82 VanDerWaalsContact O-CE2 3.29Å; H25-F82 WeakPolarHBondContact O-CE2 3.43Å
26W95.7Very high87.8Confident11 Ų1151.3 Ų51.34%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-97135.6-168.9-156.9-77.2000111.4F17 A18 Y23 P24 A28 F49 F50 T52 R79 K80 F82F17-W26 CarbonylContact C-O 3.57Å; F17-W26 WeakPolarHBondContact CA-O 3.21Å; A18-W26 PolarHBondContact N-O 3.34Å; A18-W26 PolarHBondContact O-N 3.04Å; Y23-W26 HydrophobicContact CD1-CE3 4.16Å; Y23-W26 AromaticContact CD1-CZ3 3.93Å; Y23-W26 HydrophobicContact CD1-CZ3 3.93Å; P24-W26 HydrophobicContact CG-CE3 4.08Å; P24-W26 HydrophobicContact CG-CZ3 4.36Å; P24-W26 PolarHBondContact O-N 3.13Å; W26-A28 PolarHBondContact O-N 3.15Å; W26-F49 HydrophobicContact CB-CD1 3.82Å; W26-F49 HydrophobicContact CB-CE1 4.08Å; W26-F49 AromaticContact CD1-CD1 3.65Å; W26-F49 AromaticContact CG-CD1 3.82Å; W26-F49 HydrophobicContact CG-CD1 3.82Å; W26-F50 PolarHBondContact NE1-O 3.36Å; W26-T52 HydrophobicContact CH2-CG2 4.35Å; W26-T52 HydrophobicContact CZ2-CG2 3.71Å; W26-R79 HydrophobicContact CH2-CB 3.82Å; W26-R79 HydrophobicContact CZ3-CB 3.78Å; W26-R79 HydrophobicContact CZ3-CG 4.14Å; W26-K80 VanDerWaalsContact CH2-O 3.3Å; W26-K80 WeakPolarHBondContact CH2-O 3.23Å; W26-F82 AromaticContact CD2-CD2 3.79Å; W26-F82 HydrophobicContact CD2-CD2 3.79Å; W26-F82 HydrophobicContact CD2-CE2 4.47Å; W26-F82 AromaticContact CE3-CD2 3.71Å; W26-F82 HydrophobicContact CE3-CD2 3.71Å; W26-F82 HydrophobicContact CE3-CE2 4.43Å; W26-F82 HydrophobicContact CG-CD2 4.33Å; W26-F82 HydrophobicContact CH2-CB 3.83Å; W26-F82 HydrophobicContact CH2-CD2 4.32Å; W26-F82 HydrophobicContact CZ2-CB 3.92Å; W26-F82 HydrophobicContact CZ2-CD2 4.37Å; W26-F82 HydrophobicContact CZ3-CB 4.24Å; W26-F82 AromaticContact CZ3-CD2 3.99Å; W26-F82 HydrophobicContact CZ3-CD2 3.99Å
27P94.7Very high85.9Confident0 Ų054.1 Ų54.10%030%0.302CS..EExtended strand (participates in β ladder)trans-63.3124.7175.726.4-34.4000110.4F17 F50 G85 L86 I89F17-P27 HydrophobicContact CE1-CB 4.22Å; P27-F50 HydrophobicContact CB-CD2 4.49Å; P27-F50 PolarHBondContact O-N 3.48Å; P27-G85 VanDerWaalsContact CG-C 3.46Å; P27-L86 HydrophobicContact CB-CD2 4.12Å; P27-L86 HydrophobicContact CG-CD2 4.03Å; P27-L86 HydrophobicContact CG-CG 4.25Å; P27-I89 HydrophobicContact CB-CB 4.31Å; P27-I89 HydrophobicContact CB-CD1 3.91Å; P27-I89 HydrophobicContact CB-CG2 4.06Å
28A95.4Very high83.8Confident0 Ų060.8 Ų60.80%034%0.343CS..EExtended strand (participates in β ladder)trans-148.1171.1-172.700000111.3V16 A18 W26 V47 F48 F49V16-A28 HydrophobicContact CG2-CB 4.16Å; V16-A28 PolarHBondContact N-O 2.87Å; V16-A28 CarbonylContact O-C 3.44Å; V16-A28 WeakPolarHBondContact O-CA 3.48Å; V16-A28 PolarHBondContact O-N 3.28Å; A18-A28 HydrophobicContact CB-CB 3.89Å; W26-A28 PolarHBondContact O-N 3.15Å; A28-V47 HydrophobicContact CB-CG1 3.63Å; A28-F48 CarbonylContact C-O 3.58Å; A28-F48 WeakPolarHBondContact CA-O 3.28Å; A28-F48 VanDerWaalsContact CB-O 3.23Å; A28-F48 WeakPolarHBondContact CB-O 3.24Å; A28-F49 HydrophobicContact CB-CD1 4.21Å
29R93.9Very high82Confident13 Ų1369.7 Ų69.75%0.04938%0.382CS..EExtended strand (participates in β ladder)trans-134.6154.9170.265.1-178.2-172.4162.614.8110.4D14 L15 V47 F48 F50 P93 T94 V95 I96D14-R29 CarbonylContact O-C 3.41Å; D14-R29 VanDerWaalsContact O-CA 3.26Å; D14-R29 WeakPolarHBondContact O-CA 3.5Å; L15-R29 HydrophobicContact CD2-CB 3.91Å; R29-V47 CarbonylContact O-C 3.56Å; R29-V47 WeakPolarHBondContact O-CA 3.33Å; R29-F48 HydrophobicContact CG-CB 3.9Å; R29-F48 HydrophobicContact CG-CD1 4.02Å; R29-F48 HydrophobicContact CG-CG 4.37Å; R29-F48 PolarHBondContact N-O 2.83Å; R29-F48 PolarHBondContact O-N 3.13Å; R29-F50 HydrophobicContact CB-CE2 3.85Å; R29-F50 HydrophobicContact CB-CZ 3.92Å; R29-F50 HydrophobicContact CG-CE2 4.09Å; R29-F50 HydrophobicContact CG-CZ 3.87Å; R29-P93 VanDerWaalsContact CD-O 3.26Å; R29-P93 WeakPolarHBondContact CD-O 3.49Å; R29-P93 PolarHBondContact NH1-O 2.87Å; R29-T94 PolarHBondContact NH1-O 3.18Å; R29-T94 VanDerWaalsContact NH1-O 3.15Å; R29-V95 PolarHBondContact NH1-O 3.31Å; R29-V95 VanDerWaalsContact NH1-O 3.16Å; R29-V95 PolarHBondContact NH2-O 2.85Å; R29-I96 VanDerWaalsContact NH2-CA 3.33Å
30I92.6Very high80.2Confident3 Ų370.3 Ų70.32%0.01539%0.394CS..EExtended strand (participates in β ladder)trans-77.2125.4170.6-53.2-52.7000108.9Y10 K11 G13 D14 V16 Y45 V47 L63Y10-I30 HydrophobicContact CG-CG1 4.44Å; K11-I30 WeakPolarHBondContact O-CB 3.49Å; G13-I30 PolarHBondContact N-O 2.78Å; D14-I30 HydrophobicContact CB-CB 4.44Å; D14-I30 HydrophobicContact CB-CG1 3.97Å; D14-I30 PolarHBondContact O-N 2.8Å; V16-I30 HydrophobicContact CG1-CD1 4.32Å; V16-I30 HydrophobicContact CG1-CG1 4.37Å; V16-I30 HydrophobicContact CG2-CD1 3.81Å; V16-I30 HydrophobicContact CG2-CG1 4.35Å; I30-Y45 HydrophobicContact CG2-CD1 4.12Å; I30-Y45 HydrophobicContact CG2-CG 4.4Å; I30-V47 HydrophobicContact CD1-CG2 3.83Å; I30-L63 HydrophobicContact CD1-CD1 3.89Å; I30-L63 HydrophobicContact CD1-CD2 4.37Å
31N89.9Confident78.5Confident21 Ų2171.3 Ų71.311%0.11240%0.404CS..EExtended strand (participates in β ladder)trans-88.8154.9168.9-156.641000110.1L33 Q46N31-L33 PolarHBondContact O-N 2.94Å; N31-Q46 HydrophobicContact CB-CB 4.36Å; N31-Q46 HydrophobicContact CB-CG 4.25Å; N31-Q46 PolarHBondContact N-O 3.23Å
32E84.3Confident77.1Confident104 Ų10465.1 Ų65.149%0.48639%0.387SS..PPolyproline II helixtrans-66.1127.9168.6-166.9159.8-162.600109.6P12P12-E32 HydrophobicContact CB-CB 3.83Å; P12-E32 HydrophobicContact CB-CG 4.37Å; P12-E32 HydrophobicContact CG-CB 4.46Å; P12-E32 HydrophobicContact CG-CG 4.47Å
33L75.9Confident76.2Confident31 Ų3169.4 Ų69.416%0.16240%0.396CS..PPolyproline II helixtrans-74144164.7-92.577.2000107.5N31 E35 Q46 F57N31-L33 PolarHBondContact O-N 2.94Å; L33-E35 PolarHBondContact O-N 3Å; L33-Q46 HydrophobicContact CD1-CB 3.57Å; L33-Q46 HydrophobicContact CG-CB 4.28Å; L33-F57 HydrophobicContact CD1-CE1 4.36Å; L33-F57 HydrophobicContact CD2-CE1 4.19Å; L33-F57 HydrophobicContact CG-CE1 4.14Å
34P68.8Low75.9Confident93 Ų9368.9 Ų68.960%0.60440%0.395SS*.  trans-61.8104.9167.425.4-32.8000109.9G36 A37P34-G36 PolarHBondContact O-N 2.8Å; P34-A37 PolarHBondContact O-N 3.1Å; P34-A37 VanDerWaalsContact O-N 3.08Å
35E57.2Low75.7Confident171 Ų17169.2 Ų69.280%0.79939%0.392SS*.THydrogen-bonded Turntrans-59-11.6-174.5-163.272.117800113.5L33L33-E35 PolarHBondContact O-N 3Å
36G54.6Low75.5Confident71 Ų7168.7 Ų68.773%0.73239%0.39SS*.THydrogen-bonded Turntrans-84.9-10.2176.100000116P34 V38P34-G36 PolarHBondContact O-N 2.8Å; G36-V38 PolarHBondContact O-N 3.21Å; G36-V38 VanDerWaalsContact O-N 3.08Å
37A55.1Low75.4Confident59 Ų5968.1 Ų68.149%0.48839%0.388SS..SBendtrans-76.298.1179.500000111.1P34 K39P34-A37 PolarHBondContact O-N 3.1Å; P34-A37 VanDerWaalsContact O-N 3.08Å; A37-K39 CarbonylContact O-C 3.53Å; A37-K39 VanDerWaalsContact O-C 3.23Å; A37-K39 PolarHBondContact O-N 3.2Å
38V51.3Low75.3Confident141 Ų14168.3 Ų68.386%0.85539%0.388SS*.SBendtrans-37.1105.9-178.7178.40000112.4G36G36-V38 PolarHBondContact O-N 3.21Å; G36-V38 VanDerWaalsContact O-N 3.08Å
39K57.3Low75.3Confident187 Ų18768.5 Ų68.581%0.81339%0.389SS*.SBendtrans62.6105.7-166.6-64.9166.8179.5158.70113.4A37 P41A37-K39 CarbonylContact O-C 3.53Å; A37-K39 VanDerWaalsContact O-C 3.23Å; A37-K39 PolarHBondContact O-N 3.2Å; K39-P41 VanDerWaalsContact O-CD 3.28Å; K39-P41 WeakPolarHBondContact O-CD 3.14Å
40S56.7Low75.3Confident75 Ų7567.9 Ų67.952%0.52439%0.387SS..  trans-46.3112159.4-29.90000108.8S42S40-S42 PolarHBondContact O-N 3.02Å
41P57.2Low75.3Confident76 Ų7668.1 Ų68.149%0.49439%0.39SS..THydrogen-bonded Turntrans-73.4103.6-163.925.2-33000110.6K39K39-P41 VanDerWaalsContact O-CD 3.28Å; K39-P41 WeakPolarHBondContact O-CD 3.14Å
42S62.4Low75.4Confident72 Ų7269.6 Ų69.650%0.50340%0.4SS..THydrogen-bonded Turntrans69.848.6164.866.90000118.1S40 K44S40-S42 PolarHBondContact O-N 3.02Å; S42-K44 VanDerWaalsContact C-N 3.28Å; S42-K44 PolarHBondContact O-N 2.79Å; S42-K44 VanDerWaalsContact OG-CE 3.24Å; S42-K44 WeakPolarHBondContact OG-CE 3.11Å; S42-K44 PolarHBondContact OG-NZ 3.35Å
43N75.8Confident75.7Confident147 Ų14767.1 Ų67.179%0.78639%0.388SS*.SBendtrans52.942.8171.6-59.6-68.2000113.4P60N43-P60 WeakPolarHBondContact O-CD 3.4Å
44K86.3Confident76.5Confident91 Ų9171.2 Ų71.240%0.39641%0.406SS..  trans-117.2145.6178.6-71.5163.8-172.7156.60109.4S42 F57 L58S42-K44 VanDerWaalsContact C-N 3.28Å; S42-K44 PolarHBondContact O-N 2.79Å; S42-K44 VanDerWaalsContact OG-CE 3.24Å; S42-K44 WeakPolarHBondContact OG-CE 3.11Å; S42-K44 PolarHBondContact OG-NZ 3.35Å; K44-F57 HydrophobicContact CB-CB 4.21Å; K44-F57 HydrophobicContact CD-CB 4.14Å; K44-L58 CarbonylContact C-O 3.58Å; K44-L58 WeakPolarHBondContact CA-O 3.35Å
45Y89.1Confident77.6Confident46 Ų4669.9 Ų69.918%0.1840%0.397CS..EExtended strand (participates in β ladder)trans-97.6146.6170.7-57.6-80.6000108.9E9 Y10 I30 F57 L58 P60 L63E9-Y45 WeakPolarHBondContact CG-OH 3.46Å; Y10-Y45 HydrophobicContact CD2-CD2 4.35Å; Y10-Y45 HydrophobicContact CD2-CE2 4.01Å; Y10-Y45 PolarHBondContact N-OH 2.92Å; Y10-Y45 WeakPolarHBondContact O-CE1 3.41Å; I30-Y45 HydrophobicContact CG2-CD1 4.12Å; I30-Y45 HydrophobicContact CG2-CG 4.4Å; Y45-F57 CarbonylContact O-C 3.58Å; Y45-F57 VanDerWaalsContact O-CA 3.31Å; Y45-F57 WeakPolarHBondContact O-CA 3.47Å; Y45-L58 PolarHBondContact N-O 2.91Å; Y45-L58 PolarHBondContact O-N 2.97Å; Y45-P60 HydrophobicContact CE2-CB 4.04Å; Y45-P60 HydrophobicContact CE2-CG 4.2Å; Y45-L63 HydrophobicContact CD2-CD1 3.66Å; Y45-L63 HydrophobicContact CG-CD1 4.27Å
46Q91.6Very high79.2Confident30 Ų3063.5 Ų63.514%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-81130.3165.9-172.1170.7-4.900106.7N31 L33 F57N31-Q46 HydrophobicContact CB-CB 4.36Å; N31-Q46 HydrophobicContact CB-CG 4.25Å; N31-Q46 PolarHBondContact N-O 3.23Å; L33-Q46 HydrophobicContact CD1-CB 3.57Å; L33-Q46 HydrophobicContact CG-CB 4.28Å; Q46-F57 HydrophobicContact CB-CD1 4.12Å; Q46-F57 HydrophobicContact CB-CE1 3.79Å; Q46-F57 HydrophobicContact CB-CZ 4.42Å; Q46-F57 HydrophobicContact CG-CE1 4.17Å; Q46-F57 HydrophobicContact CG-CZ 4.33Å
47V93.3Very high81Confident0 Ų065.3 Ų65.30%036%0.361CS..EExtended strand (participates in β ladder)trans-128.1123.1-169.7-176.30000107.8V16 A18 A28 R29 I30 T55 A56 L58 L63V16-V47 HydrophobicContact CG2-CG1 4.49Å; A18-V47 HydrophobicContact CB-CG1 3.93Å; A28-V47 HydrophobicContact CB-CG1 3.63Å; R29-V47 CarbonylContact O-C 3.56Å; R29-V47 WeakPolarHBondContact O-CA 3.33Å; I30-V47 HydrophobicContact CD1-CG2 3.83Å; V47-T55 CarbonylContact O-C 3.6Å; V47-T55 VanDerWaalsContact O-CA 3.24Å; V47-T55 WeakPolarHBondContact O-CA 3.24Å; V47-A56 PolarHBondContact N-O 2.86Å; V47-A56 PolarHBondContact O-N 2.9Å; V47-L58 HydrophobicContact CB-CD1 3.82Å; V47-L58 HydrophobicContact CG1-CD1 4.34Å; V47-L58 HydrophobicContact CG2-CB 4.14Å; V47-L58 HydrophobicContact CG2-CD1 3.93Å; V47-L63 HydrophobicContact CG1-CD2 4.17Å; V47-L63 HydrophobicContact CG2-CD1 4.21Å; V47-L63 HydrophobicContact CG2-CD2 3.78Å
48F93.2Very high82.7Confident4 Ų463.3 Ų63.32%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-95.1125177.4176-87.6000109.1A28 R29 F50 H53 E54 T55 H97A28-F48 CarbonylContact C-O 3.58Å; A28-F48 WeakPolarHBondContact CA-O 3.28Å; A28-F48 VanDerWaalsContact CB-O 3.23Å; A28-F48 WeakPolarHBondContact CB-O 3.24Å; R29-F48 HydrophobicContact CG-CB 3.9Å; R29-F48 HydrophobicContact CG-CD1 4.02Å; R29-F48 HydrophobicContact CG-CG 4.37Å; R29-F48 PolarHBondContact N-O 2.83Å; R29-F48 PolarHBondContact O-N 3.13Å; F48-F50 HydrophobicContact CD1-CD1 4.27Å; F48-F50 HydrophobicContact CD1-CE1 4.42Å; F48-F50 AromaticContact CE1-CD1 3.92Å; F48-F50 HydrophobicContact CE1-CD1 3.92Å; F48-F50 HydrophobicContact CE1-CE1 4.24Å; F48-H53 AromaticContact CE1-CD2 3.87Å; F48-H53 HydrophobicContact CE2-CB 3.78Å; F48-H53 HydrophobicContact CZ-CB 3.66Å; F48-H53 AromaticContact CZ-CD2 3.43Å; F48-H53 VanDerWaalsContact CZ-CD2 3.43Å; F48-H53 WeakPolarHBondContact CZ-CD2 3.45Å; F48-H53 AromaticContact CZ-CG 3.78Å; F48-E54 WeakPolarHBondContact CA-O 3.43Å; F48-T55 HydrophobicContact CB-CG2 4.28Å; F48-T55 HydrophobicContact CD2-CG2 3.88Å; F48-H97 HydrophobicContact CE2-CB 4.07Å; F48-H97 HydrophobicContact CZ-CB 4.17Å
49F94.5Very high84.6Confident3 Ų357.4 Ų57.41%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-90.6121.6179.5-67.5-86.4000110.2A18 M20 W26 A28 H53 E54 A56 L58A18-F49 HydrophobicContact CB-CD1 4.41Å; A18-F49 HydrophobicContact CB-CE1 3.52Å; A18-F49 HydrophobicContact CB-CZ 3.93Å; M20-F49 HydrophobicContact CE-CD1 4.23Å; M20-F49 HydrophobicContact CE-CD2 4.35Å; M20-F49 HydrophobicContact CE-CE1 3.53Å; M20-F49 HydrophobicContact CE-CE2 3.71Å; M20-F49 HydrophobicContact CE-CZ 3.25Å; W26-F49 HydrophobicContact CB-CD1 3.82Å; W26-F49 HydrophobicContact CB-CE1 4.08Å; W26-F49 AromaticContact CD1-CD1 3.65Å; W26-F49 AromaticContact CG-CD1 3.82Å; W26-F49 HydrophobicContact CG-CD1 3.82Å; A28-F49 HydrophobicContact CB-CD1 4.21Å; F49-H53 WeakPolarHBondContact O-CA 3.37Å; F49-H53 PolarHBondContact O-N 2.86Å; F49-E54 HydrophobicContact CD2-CB 4.45Å; F49-E54 WeakPolarHBondContact CD2-O 3.32Å; F49-E54 PolarHBondContact N-O 2.89Å; F49-A56 HydrophobicContact CE2-CB 3.95Å; F49-L58 HydrophobicContact CE2-CD1 4.15Å; F49-L58 HydrophobicContact CZ-CD1 3.78Å
50F93.6Very high86.2Confident0 Ų050.3 Ų50.30%028%0.283CS..THydrogen-bonded Turntrans-69145.4176.2-68-73.9000110.9L15 W26 P27 R29 F48 T52 G85 E88 I89 P93L15-F50 HydrophobicContact CD2-CE2 4.18Å; L15-F50 HydrophobicContact CD2-CZ 4.19Å; W26-F50 PolarHBondContact NE1-O 3.36Å; P27-F50 HydrophobicContact CB-CD2 4.49Å; P27-F50 PolarHBondContact O-N 3.48Å; R29-F50 HydrophobicContact CB-CE2 3.85Å; R29-F50 HydrophobicContact CB-CZ 3.92Å; R29-F50 HydrophobicContact CG-CE2 4.09Å; R29-F50 HydrophobicContact CG-CZ 3.87Å; F48-F50 HydrophobicContact CD1-CD1 4.27Å; F48-F50 HydrophobicContact CD1-CE1 4.42Å; F48-F50 AromaticContact CE1-CD1 3.92Å; F48-F50 HydrophobicContact CE1-CD1 3.92Å; F48-F50 HydrophobicContact CE1-CE1 4.24Å; F50-T52 PolarHBondContact O-N 3.48Å; F50-T52 VanDerWaalsContact O-N 3.13Å; F50-G85 VanDerWaalsContact C-CA 3.45Å; F50-G85 VanDerWaalsContact CB-CA 3.43Å; F50-G85 WeakPolarHBondContact CB-O 3.3Å; F50-E88 WeakPolarHBondContact CA-OE2 3.31Å; F50-E88 HydrophobicContact CB-CB 4.08Å; F50-E88 WeakPolarHBondContact CB-OE2 3.45Å; F50-E88 HydrophobicContact CD1-CB 3.73Å; F50-E88 WeakPolarHBondContact CD1-OE2 3.16Å; F50-E88 HydrophobicContact CE1-CB 4.47Å; F50-E88 HydrophobicContact CG-CB 4.18Å; F50-I89 HydrophobicContact CD2-CB 3.73Å; F50-I89 HydrophobicContact CD2-CD1 3.85Å; F50-I89 HydrophobicContact CD2-CG1 3.94Å; F50-I89 HydrophobicContact CE2-CB 3.76Å; F50-I89 HydrophobicContact CE2-CD1 3.67Å; F50-I89 HydrophobicContact CE2-CG1 3.56Å; F50-I89 HydrophobicContact CG-CB 4.34Å; F50-I89 HydrophobicContact CZ-CB 4.37Å; F50-I89 HydrophobicContact CZ-CG1 4.29Å; F50-P93 HydrophobicContact CZ-CB 4.42Å; F50-P93 WeakPolarHBondContact CZ-O 3.46Å
51G93.4Very high87.8Confident8 Ų855 Ų558%0.08229%0.294CS..THydrogen-bonded Turntrans66.9-1.1-178.900000116.8G81 E88G51-G81 WeakPolarHBondContact CA-O 3.16Å; G51-G81 WeakPolarHBondContact O-CA 3.43Å; G51-E88 PolarHBondContact N-OE2 3.36Å
52T92Very high89.4Confident52 Ų5254.9 Ų54.932%0.31929%0.289SS..THydrogen-bonded Turntrans-120-15.7156.670.30000112.8W26 F50 E54W26-T52 HydrophobicContact CH2-CG2 4.35Å; W26-T52 HydrophobicContact CZ2-CG2 3.71Å; F50-T52 PolarHBondContact O-N 3.48Å; F50-T52 VanDerWaalsContact O-N 3.13Å; T52-E54 WeakPolarHBondContact CB-OE2 3.22Å; T52-E54 PolarHBondContact O-N 3.27Å; T52-E54 PolarHBondContact OG1-OE2 2.87Å
53H91.6Very high90.8Very high52 Ų5251.5 Ų51.524%0.24127%0.265CS..  trans55.414-177.4-49142.7000114.4F48 F49 E88 H97F48-H53 AromaticContact CE1-CD2 3.87Å; F48-H53 HydrophobicContact CE2-CB 3.78Å; F48-H53 HydrophobicContact CZ-CB 3.66Å; F48-H53 AromaticContact CZ-CD2 3.43Å; F48-H53 VanDerWaalsContact CZ-CD2 3.43Å; F48-H53 WeakPolarHBondContact CZ-CD2 3.45Å; F48-H53 AromaticContact CZ-CG 3.78Å; F49-H53 WeakPolarHBondContact O-CA 3.37Å; F49-H53 PolarHBondContact O-N 2.86Å; H53-E88 IonicContact CD2-OE1 2.6Å; H53-E88 IonicContact CD2-OE2 2.64Å; H53-E88 IonicContact CE1-OE1 2.82Å; H53-E88 PolarHBondContact CE1-OE1 3.3Å; H53-E88 IonicContact NE2-OE1 3.89Å; H53-E88 PolarHBondContact NE2-OE1 2.96Å; H53-E88 IonicContact NE2-OE2 3.81Å; H53-E88 PolarHBondContact NE2-OE2 3.34Å; H53-H97 HydrophobicContact CB-CB 4.03Å; H53-H97 AromaticContact CE1-CD2 3.56Å; H53-H97 AromaticContact CE1-NE2 3.79Å; H53-H97 AromaticContact CG-CD2 3.85Å; H53-H97 AromaticContact ND1-CD2 3.47Å; H53-H97 PolarHBondContact ND1-CD2 2.98Å; H53-H97 AromaticContact ND1-CG 3.82Å; H53-H97 AromaticContact ND1-NE2 3.9Å; H53-H97 AromaticContact NE2-CD2 3.97Å
54E92Very high91.6Very high117 Ų11746.8 Ų46.855%0.54724%0.238SC..  trans-68.6151.6173.9-68.4175.4100.900110.5F48 F49 T52F48-E54 WeakPolarHBondContact CA-O 3.43Å; F49-E54 HydrophobicContact CD2-CB 4.45Å; F49-E54 WeakPolarHBondContact CD2-O 3.32Å; F49-E54 PolarHBondContact N-O 2.89Å; T52-E54 WeakPolarHBondContact CB-OE2 3.22Å; T52-E54 PolarHBondContact O-N 3.27Å; T52-E54 PolarHBondContact OG1-OE2 2.87Å
55T90.9Very high91.9Very high65 Ų6543.4 Ų43.440%0.39923%0.225SC..EExtended strand (participates in β ladder)trans-119.8140.5170.969.20000111.5V47 F48V47-T55 CarbonylContact O-C 3.6Å; V47-T55 VanDerWaalsContact O-CA 3.24Å; V47-T55 WeakPolarHBondContact O-CA 3.24Å; F48-T55 HydrophobicContact CB-CG2 4.28Å; F48-T55 HydrophobicContact CD2-CG2 3.88Å
56A91.6Very high92Very high37 Ų3741.7 Ų41.731%0.30622%0.218SC..EExtended strand (participates in β ladder)trans-144.7159.7173.400000112.1V47 F49 L58V47-A56 PolarHBondContact N-O 2.86Å; V47-A56 PolarHBondContact O-N 2.9Å; F49-A56 HydrophobicContact CE2-CB 3.95Å; A56-L58 HydrophobicContact CB-CD1 4.01Å
57F91.5Very high91.9Very high110 Ų11047.7 Ų47.748%0.48225%0.246SC..EExtended strand (participates in β ladder)trans-92.6108.8176.4-66.9-82.1000111.2L33 K44 Y45 Q46L33-F57 HydrophobicContact CD1-CE1 4.36Å; L33-F57 HydrophobicContact CD2-CE1 4.19Å; L33-F57 HydrophobicContact CG-CE1 4.14Å; K44-F57 HydrophobicContact CB-CB 4.21Å; K44-F57 HydrophobicContact CD-CB 4.14Å; Y45-F57 CarbonylContact O-C 3.58Å; Y45-F57 VanDerWaalsContact O-CA 3.31Å; Y45-F57 WeakPolarHBondContact O-CA 3.47Å; Q46-F57 HydrophobicContact CB-CD1 4.12Å; Q46-F57 HydrophobicContact CB-CE1 3.79Å; Q46-F57 HydrophobicContact CB-CZ 4.42Å; Q46-F57 HydrophobicContact CG-CE1 4.17Å; Q46-F57 HydrophobicContact CG-CZ 4.33Å
58L91.9Very high91.6Very high17 Ų1751.5 Ų51.59%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-114.5149.1177.3-69.799.8000111.8A18 K44 Y45 V47 F49 A56 D62 L63A18-L58 HydrophobicContact CB-CD2 4.44Å; K44-L58 CarbonylContact C-O 3.58Å; K44-L58 WeakPolarHBondContact CA-O 3.35Å; Y45-L58 PolarHBondContact N-O 2.91Å; Y45-L58 PolarHBondContact O-N 2.97Å; V47-L58 HydrophobicContact CB-CD1 3.82Å; V47-L58 HydrophobicContact CG1-CD1 4.34Å; V47-L58 HydrophobicContact CG2-CB 4.14Å; V47-L58 HydrophobicContact CG2-CD1 3.93Å; F49-L58 HydrophobicContact CE2-CD1 4.15Å; F49-L58 HydrophobicContact CZ-CD1 3.78Å; A56-L58 HydrophobicContact CB-CD1 4.01Å; L58-D62 HydrophobicContact CD2-CB 3.83Å; L58-L63 HydrophobicContact CB-CD1 4.49Å; L58-L63 HydrophobicContact CB-CD2 4.12Å; L58-L63 HydrophobicContact CB-CG 4.29Å
59G91.2Very high91.3Very high16 Ų1651.4 Ų51.417%0.16527%0.265CS..  trans-84.9160.3172.400000111.8K61 D62G59-K61 PolarHBondContact O-N 2.75Å; G59-D62 PolarHBondContact O-N 2.78Å
60P89.5Confident90.9Very high39 Ų3955.6 Ų55.625%0.25328%0.283SS..THydrogen-bonded Turntrans-60.2-10.2178.521.6-31.9000114.9Y10 N43 Y45 D62Y10-P60 HydrophobicContact CD2-CB 4.5Å; Y10-P60 HydrophobicContact CE2-CB 4.3Å; N43-P60 WeakPolarHBondContact O-CD 3.4Å; Y45-P60 HydrophobicContact CE2-CB 4.04Å; Y45-P60 HydrophobicContact CE2-CG 4.2Å; P60-D62 VanDerWaalsContact C-N 3.34Å
61K90.3Very high90.7Very high174 Ų17463.4 Ų63.476%0.75732%0.319SS*.THydrogen-bonded Turntrans-70.2-32.4173.6-61.7-169.2-178.172.90112.7G59G59-K61 PolarHBondContact O-N 2.75Å
62D92.3Very high90.4Very high73 Ų7368.8 Ų68.839%0.3934%0.34SS..SBendtrans-1025.9-172.5-59.1-65.1000112.1K19 L58 G59 P60K19-D62 PolarHBondContact N-O 3.28Å; L58-D62 HydrophobicContact CD2-CB 3.83Å; G59-D62 PolarHBondContact O-N 2.78Å; P60-D62 VanDerWaalsContact C-N 3.34Å
63L92.3Very high90.2Very high0 Ų068.8 Ų68.80%034%0.336CS..EExtended strand (participates in β ladder)trans-114.9131.3-178.3-60.5170.2000109.7N5 Y10 V16 A18 I30 Y45 V47 L58N5-L63 PolarHBondContact ND2-O 3.35Å; Y10-L63 HydrophobicContact CD2-CB 4.19Å; Y10-L63 HydrophobicContact CD2-CD1 4.1Å; Y10-L63 HydrophobicContact CE2-CB 3.55Å; Y10-L63 HydrophobicContact CE2-CD1 4.27Å; Y10-L63 VanDerWaalsContact OH-C 3.27Å; Y10-L63 PolarHBondContact OH-O 3.24Å; V16-L63 HydrophobicContact CG2-CD2 4.17Å; A18-L63 HydrophobicContact CB-CD2 3.85Å; I30-L63 HydrophobicContact CD1-CD1 3.89Å; I30-L63 HydrophobicContact CD1-CD2 4.37Å; Y45-L63 HydrophobicContact CD2-CD1 3.66Å; Y45-L63 HydrophobicContact CG-CD1 4.27Å; V47-L63 HydrophobicContact CG1-CD2 4.17Å; V47-L63 HydrophobicContact CG2-CD1 4.21Å; V47-L63 HydrophobicContact CG2-CD2 3.78Å; L58-L63 HydrophobicContact CB-CD1 4.49Å; L58-L63 HydrophobicContact CB-CD2 4.12Å; L58-L63 HydrophobicContact CB-CG 4.29Å
64F92Very high89.9Confident48 Ų4867.7 Ų67.721%0.21134%0.338CS..EExtended strand (participates in β ladder)trans-126.6135.1-175.5-60.5-96000108.3N5 V16 F17 K19 H25 Y66N5-F64 HydrophobicContact CB-CE1 4.45Å; N5-F64 WeakPolarHBondContact ND2-CE1 3.35Å; N5-F64 WeakPolarHBondContact OD1-CD1 3.48Å; N5-F64 WeakPolarHBondContact OD1-CE1 3.44Å; V16-F64 CarbonylContact C-O 3.03Å; V16-F64 WeakPolarHBondContact CA-O 3.45Å; V16-F64 WeakPolarHBondContact CB-O 3.41Å; F17-F64 HydrophobicContact CB-CB 4.3Å; F17-F64 PolarHBondContact N-O 3.41Å; F17-F64 PolarHBondContact O-N 3.2Å; K19-F64 HydrophobicContact CB-CD2 4.4Å; K19-F64 HydrophobicContact CB-CE2 3.79Å; H25-F64 AromaticContact CD2-CD2 3.86Å; H25-F64 AromaticContact CD2-CE2 3.91Å; H25-F64 AromaticContact NE2-CE2 3.93Å; F64-Y66 PolarHBondContact O-N 3.4Å
65P92.7Very high89.7Confident20 Ų2069 Ų6913%0.1334%0.342CS..EExtended strand (participates in β ladder)trans-59.3138.3179.6-24.335.4000111.9K8 Y10 E67 E68 G69K8-P65 HydrophobicContact CD-CG 3.72Å; Y10-P65 HydrophobicContact CE1-CG 4.34Å; Y10-P65 WeakPolarHBondContact OH-CD 3.45Å; P65-E67 PolarHBondContact O-N 2.91Å; P65-E68 HydrophobicContact CB-CG 4.46Å; P65-E68 PolarHBondContact O-N 2.8Å; P65-G69 PolarHBondContact O-N 3.43Å; P65-G69 VanDerWaalsContact O-N 3.08Å
66Y90.9Very high89.6Confident11 Ų1170.9 Ų70.94%0.04336%0.356CS..Hα-helixtrans-58.2-47.3-178.6177.3-103.9000112.2L15 F17 F64 E68 G69 K70 I89 E90L15-Y66 HydrophobicContact CB-CG 4.23Å; L15-Y66 VanDerWaalsContact O-CB 3.24Å; L15-Y66 WeakPolarHBondContact O-CB 3.47Å; L15-Y66 PolarHBondContact O-N 3.08Å; F17-Y66 AromaticContact CD2-CD2 3.98Å; F17-Y66 HydrophobicContact CD2-CD2 3.98Å; F17-Y66 AromaticContact CE2-CD2 3.29Å; F17-Y66 HydrophobicContact CE2-CD2 3.29Å; F17-Y66 AromaticContact CE2-CE2 3.7Å; F17-Y66 HydrophobicContact CE2-CE2 3.7Å; F17-Y66 HydrophobicContact CE2-CG 4.19Å; F17-Y66 AromaticContact CZ-CD2 3.67Å; F17-Y66 HydrophobicContact CZ-CD2 3.67Å; F17-Y66 AromaticContact CZ-CE2 3.63Å; F17-Y66 HydrophobicContact CZ-CE2 3.63Å; F64-Y66 PolarHBondContact O-N 3.4Å; Y66-E68 PolarHBondContact O-N 3.46Å; Y66-G69 CarbonylContact O-C 3.57Å; Y66-G69 PolarHBondContact O-N 3Å; Y66-K70 HydrophobicContact CE1-CB 4.49Å; Y66-K70 HydrophobicContact CE1-CD 3.92Å; Y66-K70 HydrophobicContact CE1-CG 4.47Å; Y66-K70 WeakPolarHBondContact O-CB 3.34Å; Y66-K70 PolarHBondContact O-N 3.47Å; Y66-I89 HydrophobicContact CD2-CD1 3.4Å; Y66-I89 VanDerWaalsContact CD2-CD1 3.4Å; Y66-I89 HydrophobicContact CD2-CG1 4.08Å; Y66-I89 HydrophobicContact CD2-CG2 4.49Å; Y66-I89 HydrophobicContact CE2-CB 4.49Å; Y66-I89 HydrophobicContact CE2-CD1 3.7Å; Y66-I89 HydrophobicContact CE2-CG1 4.01Å; Y66-I89 HydrophobicContact CE2-CG2 3.65Å; Y66-I89 HydrophobicContact CG-CD1 4.03Å; Y66-E90 VanDerWaalsContact OH-CG 3.3Å; Y66-E90 WeakPolarHBondContact OH-CG 3.2Å; Y66-E90 PolarHBondContact OH-OE1 2.64Å
67E88.6Confident89.5Confident155 Ų15571.7 Ų71.772%0.72436%0.357SS*.Hα-helixtrans-51.6-50178.1-64.4-56.2126.700113.4P65 G69P65-E67 PolarHBondContact O-N 2.91Å; E67-G69 VanDerWaalsContact C-N 3.32Å; E67-G69 PolarHBondContact O-N 3.21Å
68E88.3Confident89.4Confident80 Ų8076.8 Ų76.837%0.37438%0.379SS..Hα-helixtrans-72.6-26.9-179.8-65.3-178.5-128.300113.1K8 P65 Y66 K72K8-E68 IonicContact NZ-OE1 2.61Å; K8-E68 PolarHBondContact NZ-OE1 2.76Å; P65-E68 HydrophobicContact CB-CG 4.46Å; P65-E68 PolarHBondContact O-N 2.8Å; Y66-E68 PolarHBondContact O-N 3.46Å; E68-K72 PolarHBondContact O-NZ 2.88Å; E68-K72 VanDerWaalsContact O-NZ 3.1Å
69G85.6Confident89.3Confident3 Ų381.8 Ų81.83%0.03140%0.397CS..Hα-helixtrans-86.7-28.5-177.600000114F17 P65 Y66 E67 E71 K72 F73F17-G69 VanDerWaalsContact CE2-C 3.47Å; P65-G69 PolarHBondContact O-N 3.43Å; P65-G69 VanDerWaalsContact O-N 3.08Å; Y66-G69 CarbonylContact O-C 3.57Å; Y66-G69 PolarHBondContact O-N 3Å; E67-G69 VanDerWaalsContact C-N 3.32Å; E67-G69 PolarHBondContact O-N 3.21Å; G69-E71 PolarHBondContact O-N 3.48Å; G69-K72 PolarHBondContact O-N 2.85Å; G69-F73 WeakPolarHBondContact O-CB 3.37Å; G69-F73 PolarHBondContact O-N 3.01Å
70K87.6Confident89.3Confident90 Ų9090.6 Ų90.639%0.39143%0.43SS..Hα-helixtrans-54.2-48.4-171.1-177.4175.2-175.6160.10112.5Y66 K72 G74 E90Y66-K70 HydrophobicContact CE1-CB 4.49Å; Y66-K70 HydrophobicContact CE1-CD 3.92Å; Y66-K70 HydrophobicContact CE1-CG 4.47Å; Y66-K70 WeakPolarHBondContact O-CB 3.34Å; Y66-K70 PolarHBondContact O-N 3.47Å; K70-K72 PolarHBondContact O-N 2.98Å; K70-G74 VanDerWaalsContact O-CA 3.28Å; K70-G74 WeakPolarHBondContact O-CA 3.41Å; K70-G74 PolarHBondContact O-N 3.09Å; K70-E90 WeakPolarHBondContact CE-OE1 3.43Å; K70-E90 IonicContact NZ-OE1 2.74Å; K70-E90 PolarHBondContact NZ-OE1 3.16Å
71E87.8Confident89.3Confident164 Ų16489.6 Ų89.677%0.76643%0.427SS*.Hα-helixtrans-61.8-28.8178.9-161.6-165.6133.100113.4G69G69-E71 PolarHBondContact O-N 3.48Å
72K88.3Confident89.5Confident121 Ų12181.5 Ų81.553%0.52639%0.392SS..Hα-helixtrans-97.9-37.7-174.3-59.7179.5-168.961.90112.8E68 G69 K70E68-K72 PolarHBondContact O-NZ 2.88Å; E68-K72 VanDerWaalsContact O-NZ 3.1Å; G69-K72 PolarHBondContact O-N 2.85Å; K70-K72 PolarHBondContact O-N 2.98Å
73F86.6Confident89.5Confident53 Ų5381 Ų8123%0.23239%0.394CS..Hα-helixtrans-118.9-13.3-167.7-51.8-44.9000113.9F17 H25 G69 K75F17-F73 HydrophobicContact CB-CD2 4.36Å; F17-F73 HydrophobicContact CD1-CB 3.92Å; F17-F73 HydrophobicContact CD2-CB 4.46Å; F17-F73 HydrophobicContact CD2-CD2 4.32Å; F17-F73 HydrophobicContact CE1-CB 3.87Å; F17-F73 HydrophobicContact CE2-CB 4.41Å; F17-F73 HydrophobicContact CG-CB 4.22Å; F17-F73 HydrophobicContact CG-CD2 4.2Å; F17-F73 HydrophobicContact CZ-CB 4.12Å; H25-F73 HydrophobicContact CB-CB 3.94Å; H25-F73 HydrophobicContact CB-CD1 3.95Å; H25-F73 HydrophobicContact CB-CD2 3.78Å; H25-F73 HydrophobicContact CB-CE1 4.43Å; H25-F73 HydrophobicContact CB-CE2 4.26Å; H25-F73 HydrophobicContact CB-CG 3.61Å; H25-F73 AromaticContact CD2-CE2 3.76Å; H25-F73 AromaticContact CD2-CZ 3.85Å; H25-F73 AromaticContact CE1-CE1 3.45Å; H25-F73 VanDerWaalsContact CE1-CE1 3.45Å; H25-F73 WeakPolarHBondContact CE1-CE1 3.31Å; H25-F73 AromaticContact CE1-CZ 3.4Å; H25-F73 WeakPolarHBondContact CE1-CZ 3.49Å; H25-F73 AromaticContact CG-CD1 3.82Å; H25-F73 AromaticContact CG-CD2 3.82Å; H25-F73 AromaticContact CG-CE1 3.8Å; H25-F73 AromaticContact CG-CE2 3.78Å; H25-F73 AromaticContact CG-CG 3.84Å; H25-F73 AromaticContact CG-CZ 3.78Å; H25-F73 AromaticContact ND1-CD1 3.48Å; H25-F73 WeakPolarHBondContact ND1-CD1 3.47Å; H25-F73 AromaticContact ND1-CE1 3.21Å; H25-F73 WeakPolarHBondContact ND1-CE1 3.29Å; H25-F73 AromaticContact ND1-CE2 4Å; H25-F73 AromaticContact ND1-CZ 3.49Å; H25-F73 WeakPolarHBondContact ND1-CZ 3.41Å; H25-F73 AromaticContact NE2-CE2 4Å; H25-F73 AromaticContact NE2-CZ 3.66Å; G69-F73 WeakPolarHBondContact O-CB 3.37Å; G69-F73 PolarHBondContact O-N 3.01Å; F73-K75 PolarHBondContact O-N 2.74Å
74G85.2Confident89.5Confident28 Ų2886.1 Ų86.129%0.28942%0.418SS..  trans-6922.7172.100000114.7K70K70-G74 VanDerWaalsContact O-CA 3.28Å; K70-G74 WeakPolarHBondContact O-CA 3.41Å; K70-G74 PolarHBondContact O-N 3.09Å
75K89.1Confident89.6Confident145 Ų14583.8 Ų83.863%0.6341%0.408SS*.SBendtrans-92.8121.1178.8-64.5-178.3-178.5-1790108.6F73 T77 F82F73-K75 PolarHBondContact O-N 2.74Å; K75-T77 PolarHBondContact O-N 2.85Å; K75-F82 VanDerWaalsContact O-CE1 3.31Å; K75-F82 WeakPolarHBondContact O-CE1 3.26Å
76P88.6Confident89.6Confident104 Ų10483.8 Ų83.868%0.67541%0.407SS*.  trans-50.3133.6178.6-28.735.2000112.2
77T89.2Confident89.6Confident54 Ų5490.4 Ų90.433%0.33143%0.431SS..  trans-118.2163.5-178.2-1520000111.6P24 K75 R79 F82P24-T77 HydrophobicContact CG-CG2 4.01Å; K75-T77 PolarHBondContact O-N 2.85Å; T77-R79 HydrophobicContact CG2-CB 3.8Å; T77-R79 HydrophobicContact CG2-CG 4Å; T77-R79 PolarHBondContact O-N 2.91Å; T77-R79 VanDerWaalsContact O-N 3.15Å; T77-F82 HydrophobicContact CG2-CB 3.56Å; T77-F82 HydrophobicContact CG2-CD1 3.41Å; T77-F82 VanDerWaalsContact CG2-CD1 3.41Å; T77-F82 HydrophobicContact CG2-CD2 3.65Å; T77-F82 HydrophobicContact CG2-CE1 3.93Å; T77-F82 HydrophobicContact CG2-CE2 4.13Å; T77-F82 HydrophobicContact CG2-CG 3.24Å; T77-F82 HydrophobicContact CG2-CZ 4.27Å
78K90.2Very high89.8Confident218 Ų21883.9 Ų83.995%0.94840%0.401SS*.SBendtrans-77.29.2-176.6-107.6167.8178.5168.80114.9
79R89Confident90Very high122 Ų12280.2 Ų80.246%0.4638%0.384SS..SBendtrans-87.2135.6176.1-65.6-67.7-165.4162.26.5109.4G22 W26 T77 F82G22-R79 PolarHBondContact O-NH2 2.83Å; W26-R79 HydrophobicContact CH2-CB 3.82Å; W26-R79 HydrophobicContact CZ3-CB 3.78Å; W26-R79 HydrophobicContact CZ3-CG 4.14Å; T77-R79 HydrophobicContact CG2-CB 3.8Å; T77-R79 HydrophobicContact CG2-CG 4Å; T77-R79 PolarHBondContact O-N 2.91Å; T77-R79 VanDerWaalsContact O-N 3.15Å; R79-F82 HydrophobicContact CB-CB 4.25Å; R79-F82 WeakPolarHBondContact O-CB 3.4Å; R79-F82 PolarHBondContact O-N 3.27Å
80K90.8Very high90.2Very high201 Ų20185.1 Ų85.187%0.87441%0.406SS*.THydrogen-bonded Turntrans-56.3145.3170.5-61.3-172.6177.5-171.70109.7W26 F82W26-K80 VanDerWaalsContact CH2-O 3.3Å; W26-K80 WeakPolarHBondContact CH2-O 3.23Å; K80-F82 PolarHBondContact O-N 2.86Å; K80-F82 VanDerWaalsContact O-N 3.13Å
81G90.4Very high90.2Very high18 Ų1885 Ų8519%0.18641%0.41CS..THydrogen-bonded Turntrans75.8-19.9-178.100000115.8G51 E84 G85G51-G81 WeakPolarHBondContact CA-O 3.16Å; G51-G81 WeakPolarHBondContact O-CA 3.43Å; G81-E84 PolarHBondContact O-N 2.93Å; G81-G85 PolarHBondContact O-N 2.89Å
82F93.1Very high90Very high4 Ų480.3 Ų80.32%0.01839%0.39CS..Hα-helixtrans-70.3-46.3-174.5-175.1-87.6000113.8P24 H25 W26 K75 T77 R79 K80 E84 G85 L86P24-F82 HydrophobicContact CB-CE2 4.24Å; P24-F82 HydrophobicContact CG-CD2 4Å; P24-F82 HydrophobicContact CG-CE2 3.85Å; H25-F82 VanDerWaalsContact O-CE2 3.29Å; H25-F82 WeakPolarHBondContact O-CE2 3.43Å; W26-F82 AromaticContact CD2-CD2 3.79Å; W26-F82 HydrophobicContact CD2-CD2 3.79Å; W26-F82 HydrophobicContact CD2-CE2 4.47Å; W26-F82 AromaticContact CE3-CD2 3.71Å; W26-F82 HydrophobicContact CE3-CD2 3.71Å; W26-F82 HydrophobicContact CE3-CE2 4.43Å; W26-F82 HydrophobicContact CG-CD2 4.33Å; W26-F82 HydrophobicContact CH2-CB 3.83Å; W26-F82 HydrophobicContact CH2-CD2 4.32Å; W26-F82 HydrophobicContact CZ2-CB 3.92Å; W26-F82 HydrophobicContact CZ2-CD2 4.37Å; W26-F82 HydrophobicContact CZ3-CB 4.24Å; W26-F82 AromaticContact CZ3-CD2 3.99Å; W26-F82 HydrophobicContact CZ3-CD2 3.99Å; K75-F82 VanDerWaalsContact O-CE1 3.31Å; K75-F82 WeakPolarHBondContact O-CE1 3.26Å; T77-F82 HydrophobicContact CG2-CB 3.56Å; T77-F82 HydrophobicContact CG2-CD1 3.41Å; T77-F82 VanDerWaalsContact CG2-CD1 3.41Å; T77-F82 HydrophobicContact CG2-CD2 3.65Å; T77-F82 HydrophobicContact CG2-CE1 3.93Å; T77-F82 HydrophobicContact CG2-CE2 4.13Å; T77-F82 HydrophobicContact CG2-CG 3.24Å; T77-F82 HydrophobicContact CG2-CZ 4.27Å; R79-F82 HydrophobicContact CB-CB 4.25Å; R79-F82 WeakPolarHBondContact O-CB 3.4Å; R79-F82 PolarHBondContact O-N 3.27Å; K80-F82 PolarHBondContact O-N 2.86Å; K80-F82 VanDerWaalsContact O-N 3.13Å; F82-E84 VanDerWaalsContact C-N 3.27Å; F82-E84 PolarHBondContact O-N 3.01Å; F82-G85 PolarHBondContact O-N 2.8Å; F82-L86 HydrophobicContact CD1-CD1 4.04Å; F82-L86 HydrophobicContact CD1-CG 4.24Å; F82-L86 HydrophobicContact CE1-CD1 3.54Å; F82-L86 HydrophobicContact CE1-CD2 4.49Å; F82-L86 HydrophobicContact CE1-CG 3.9Å; F82-L86 HydrophobicContact CZ-CD1 4.39Å; F82-L86 HydrophobicContact CZ-CG 4.49Å; F82-L86 PolarHBondContact O-N 3.17Å
83S92.8Very high89.5Confident62 Ų6276.6 Ų76.643%0.43438%0.378SS..Hα-helixtrans-67.9-31.6178.3-55.20000111.9W87S83-W87 PolarHBondContact O-N 2.61Å
84E93Very high88.7Confident107 Ų10779.5 Ų79.550%0.540%0.4SS..Hα-helixtrans-65.2-48.8171.5-173.2175.9105.200110.1G81 F82 L86 W87 E88G81-E84 PolarHBondContact O-N 2.93Å; F82-E84 VanDerWaalsContact C-N 3.27Å; F82-E84 PolarHBondContact O-N 3.01Å; E84-L86 VanDerWaalsContact C-N 3.28Å; E84-L86 PolarHBondContact O-N 3.47Å; E84-W87 CarbonylContact O-C 3.53Å; E84-W87 WeakPolarHBondContact O-CA 3.24Å; E84-W87 WeakPolarHBondContact O-CB 3.2Å; E84-W87 PolarHBondContact O-N 3.06Å; E84-E88 PolarHBondContact O-N 3.15Å
85G93.4Very high87.8Confident0 Ų080.2 Ų80.20%040%0.399CS..Hα-helixtrans-64.2-28.4177.500000114.7P27 F50 G81 F82 W87 I89P27-G85 VanDerWaalsContact CG-C 3.46Å; F50-G85 VanDerWaalsContact C-CA 3.45Å; F50-G85 VanDerWaalsContact CB-CA 3.43Å; F50-G85 WeakPolarHBondContact CB-O 3.3Å; G81-G85 PolarHBondContact O-N 2.89Å; F82-G85 PolarHBondContact O-N 2.8Å; G85-W87 VanDerWaalsContact C-N 3.33Å; G85-I89 WeakPolarHBondContact O-CB 2.99Å; G85-I89 WeakPolarHBondContact O-CG2 3.28Å; G85-I89 PolarHBondContact O-N 3Å; G85-I89 VanDerWaalsContact O-N 3.09Å
86L92.7Very high86.6Confident20 Ų2077.6 Ų77.611%0.10539%0.391CS..Hα-helixtrans-69.5-29.7169.4-77.4-176.5000112.8F17 P27 F82 E84 I89F17-L86 HydrophobicContact CE1-CD2 4.12Å; F17-L86 HydrophobicContact CZ-CD2 4.27Å; P27-L86 HydrophobicContact CB-CD2 4.12Å; P27-L86 HydrophobicContact CG-CD2 4.03Å; P27-L86 HydrophobicContact CG-CG 4.25Å; F82-L86 HydrophobicContact CD1-CD1 4.04Å; F82-L86 HydrophobicContact CD1-CG 4.24Å; F82-L86 HydrophobicContact CE1-CD1 3.54Å; F82-L86 HydrophobicContact CE1-CD2 4.49Å; F82-L86 HydrophobicContact CE1-CG 3.9Å; F82-L86 HydrophobicContact CZ-CD1 4.39Å; F82-L86 HydrophobicContact CZ-CG 4.49Å; F82-L86 PolarHBondContact O-N 3.17Å; E84-L86 VanDerWaalsContact C-N 3.28Å; E84-L86 PolarHBondContact O-N 3.47Å; L86-I89 WeakPolarHBondContact O-CG2 3.36Å
87W92.4Very high85.1Confident149 Ų14977.8 Ų77.856%0.56438%0.383SS*.Hα-helixtrans-78.9-42.1174.2-178.785.7000111.2S83 E84 G85 E90 N91 N92S83-W87 PolarHBondContact O-N 2.61Å; E84-W87 CarbonylContact O-C 3.53Å; E84-W87 WeakPolarHBondContact O-CA 3.24Å; E84-W87 WeakPolarHBondContact O-CB 3.2Å; E84-W87 PolarHBondContact O-N 3.06Å; G85-W87 VanDerWaalsContact C-N 3.33Å; W87-E90 PolarHBondContact O-N 3.34Å; W87-N91 HydrophobicContact CD2-CB 4.33Å; W87-N91 HydrophobicContact CH2-CB 4.31Å; W87-N91 HydrophobicContact CZ2-CB 3.99Å; W87-N91 PolarHBondContact NE1-ND2 3.24Å; W87-N91 WeakPolarHBondContact O-CB 3.36Å; W87-N91 PolarHBondContact O-N 3.08Å; W87-N91 PolarHBondContact O-ND2 2.92Å; W87-N92 WeakPolarHBondContact CH2-ND2 3.44Å; W87-N92 WeakPolarHBondContact CZ3-ND2 3.26Å
88E92.8Very high83.6Confident19 Ų1979 Ų799%0.08939%0.385CS..Hα-helixtrans-60.7-45.4177.2-71.1-173.415600112.8F50 G51 H53 E84 E90 N91 N92F50-E88 WeakPolarHBondContact CA-OE2 3.31Å; F50-E88 HydrophobicContact CB-CB 4.08Å; F50-E88 WeakPolarHBondContact CB-OE2 3.45Å; F50-E88 HydrophobicContact CD1-CB 3.73Å; F50-E88 WeakPolarHBondContact CD1-OE2 3.16Å; F50-E88 HydrophobicContact CE1-CB 4.47Å; F50-E88 HydrophobicContact CG-CB 4.18Å; G51-E88 PolarHBondContact N-OE2 3.36Å; H53-E88 IonicContact CD2-OE1 2.6Å; H53-E88 IonicContact CD2-OE2 2.64Å; H53-E88 IonicContact CE1-OE1 2.82Å; H53-E88 PolarHBondContact CE1-OE1 3.3Å; H53-E88 IonicContact NE2-OE1 3.89Å; H53-E88 PolarHBondContact NE2-OE1 2.96Å; H53-E88 IonicContact NE2-OE2 3.81Å; H53-E88 PolarHBondContact NE2-OE2 3.34Å; E84-E88 PolarHBondContact O-N 3.15Å; E88-E90 PolarHBondContact O-N 2.84Å; E88-N91 PolarHBondContact O-N 3.04Å; E88-N92 CarbonylContact O-C 3.23Å; E88-N92 VanDerWaalsContact O-CA 3.28Å; E88-N92 WeakPolarHBondContact O-CA 3.28Å; E88-N92 PolarHBondContact O-N 2.76Å
89I90.8Very high81.6Confident3 Ų372.9 Ų72.92%0.01537%0.367CS..Hα-helixtrans-63.1-24.5-178.8-165.6160.4000113.2L15 P27 F50 Y66 G85 L86L15-I89 HydrophobicContact CB-CD1 4.26Å; L15-I89 HydrophobicContact CB-CG1 4.4Å; L15-I89 HydrophobicContact CD1-CG1 4.03Å; L15-I89 HydrophobicContact CD2-CD1 4.49Å; L15-I89 HydrophobicContact CD2-CG1 4.11Å; L15-I89 HydrophobicContact CG-CG1 4.4Å; P27-I89 HydrophobicContact CB-CB 4.31Å; P27-I89 HydrophobicContact CB-CD1 3.91Å; P27-I89 HydrophobicContact CB-CG2 4.06Å; F50-I89 HydrophobicContact CD2-CB 3.73Å; F50-I89 HydrophobicContact CD2-CD1 3.85Å; F50-I89 HydrophobicContact CD2-CG1 3.94Å; F50-I89 HydrophobicContact CE2-CB 3.76Å; F50-I89 HydrophobicContact CE2-CD1 3.67Å; F50-I89 HydrophobicContact CE2-CG1 3.56Å; F50-I89 HydrophobicContact CG-CB 4.34Å; F50-I89 HydrophobicContact CZ-CB 4.37Å; F50-I89 HydrophobicContact CZ-CG1 4.29Å; Y66-I89 HydrophobicContact CD2-CD1 3.4Å; Y66-I89 VanDerWaalsContact CD2-CD1 3.4Å; Y66-I89 HydrophobicContact CD2-CG1 4.08Å; Y66-I89 HydrophobicContact CD2-CG2 4.49Å; Y66-I89 HydrophobicContact CE2-CB 4.49Å; Y66-I89 HydrophobicContact CE2-CD1 3.7Å; Y66-I89 HydrophobicContact CE2-CG1 4.01Å; Y66-I89 HydrophobicContact CE2-CG2 3.65Å; Y66-I89 HydrophobicContact CG-CD1 4.03Å; G85-I89 WeakPolarHBondContact O-CB 2.99Å; G85-I89 WeakPolarHBondContact O-CG2 3.28Å; G85-I89 PolarHBondContact O-N 3Å; G85-I89 VanDerWaalsContact O-N 3.09Å; L86-I89 WeakPolarHBondContact O-CG2 3.36Å
90E89.6Confident79.4Confident106 Ų10672.4 Ų72.450%0.49539%0.389SS..Hα-helixtrans-91-36.3177-66-169.8159.500113.5Y66 K70 W87 E88Y66-E90 VanDerWaalsContact OH-CG 3.3Å; Y66-E90 WeakPolarHBondContact OH-CG 3.2Å; Y66-E90 PolarHBondContact OH-OE1 2.64Å; K70-E90 WeakPolarHBondContact CE-OE1 3.43Å; K70-E90 IonicContact NZ-OE1 2.74Å; K70-E90 PolarHBondContact NZ-OE1 3.16Å; W87-E90 PolarHBondContact O-N 3.34Å; E88-E90 PolarHBondContact O-N 2.84Å
91N88.8Confident77.1Confident87 Ų8766.5 Ų66.547%0.46539%0.385SS..Hα-helixtrans-105.6-28.5-170.2-64.4-93.5000113.3W87 E88W87-N91 HydrophobicContact CD2-CB 4.33Å; W87-N91 HydrophobicContact CH2-CB 4.31Å; W87-N91 HydrophobicContact CZ2-CB 3.99Å; W87-N91 PolarHBondContact NE1-ND2 3.24Å; W87-N91 WeakPolarHBondContact O-CB 3.36Å; W87-N91 PolarHBondContact O-N 3.08Å; W87-N91 PolarHBondContact O-ND2 2.92Å; E88-N91 PolarHBondContact O-N 3.04Å
92N83.3Confident75Confident66 Ų6669.1 Ų69.135%0.35339%0.39SS..  trans-142.247.2-171.9-73.1-69.3000113W87 E88 T94 V95W87-N92 WeakPolarHBondContact CH2-ND2 3.44Å; W87-N92 WeakPolarHBondContact CZ3-ND2 3.26Å; E88-N92 CarbonylContact O-C 3.23Å; E88-N92 VanDerWaalsContact O-CA 3.28Å; E88-N92 WeakPolarHBondContact O-CA 3.28Å; E88-N92 PolarHBondContact O-N 2.76Å; N92-T94 PolarHBondContact O-N 3.33Å; N92-V95 HydrophobicContact CB-CG2 3.77Å; N92-V95 PolarHBondContact O-N 2.99Å; N92-V95 VanDerWaalsContact O-N 3.08Å
93P77.7Confident72.7Confident42 Ų4278.4 Ų78.427%0.27343%0.433SS..THydrogen-bonded Turntrans-59.6-24.6-175.524.2-34.9000113.7L15 R29 F50L15-P93 HydrophobicContact CD1-CB 4.05Å; L15-P93 HydrophobicContact CD2-CB 3.85Å; R29-P93 VanDerWaalsContact CD-O 3.26Å; R29-P93 WeakPolarHBondContact CD-O 3.49Å; R29-P93 PolarHBondContact NH1-O 2.87Å; F50-P93 HydrophobicContact CZ-CB 4.42Å; F50-P93 WeakPolarHBondContact CZ-O 3.46Å
94T69.9Low70.4Confident114 Ų11480.3 Ų80.370%0.69944%0.438SS*.THydrogen-bonded Turntrans-86.9-1-178.3-27.10000113.8R29 N92 I96R29-T94 PolarHBondContact NH1-O 3.18Å; R29-T94 VanDerWaalsContact NH1-O 3.15Å; N92-T94 PolarHBondContact O-N 3.33Å; T94-I96 WeakPolarHBondContact O-CG1 3.35Å; T94-I96 PolarHBondContact O-N 2.83Å
95V65.5Low68.2Low44 Ų4479.1 Ų79.127%0.26745%0.447SS..  trans-58.5105.2178.4159.40000111.3R29 N92R29-V95 PolarHBondContact NH1-O 3.31Å; R29-V95 VanDerWaalsContact NH1-O 3.16Å; R29-V95 PolarHBondContact NH2-O 2.85Å; N92-V95 HydrophobicContact CB-CG2 3.77Å; N92-V95 PolarHBondContact O-N 2.99Å; N92-V95 VanDerWaalsContact O-N 3.08Å
96I64.2Low65.6Low90 Ų9088.2 Ų88.246%0.46249%0.486SS..  trans-9394.9171.4-43.2179.6000107.7R29 T94 E98 Y102R29-I96 VanDerWaalsContact NH2-CA 3.33Å; T94-I96 WeakPolarHBondContact O-CG1 3.35Å; T94-I96 PolarHBondContact O-N 2.83Å; I96-E98 HydrophobicContact CG2-CG 3.83Å; I96-E98 PolarHBondContact O-N 2.94Å; I96-Y102 WeakPolarHBondContact CG2-OH 3.05Å
97H58.3Low62.9Low107 Ų10796.2 Ų96.250%0.49552%0.523SS..  trans-74.187.4158-91.1-81.3000108.3F48 H53 P99F48-H97 HydrophobicContact CE2-CB 4.07Å; F48-H97 HydrophobicContact CZ-CB 4.17Å; H53-H97 HydrophobicContact CB-CB 4.03Å; H53-H97 AromaticContact CE1-CD2 3.56Å; H53-H97 AromaticContact CE1-NE2 3.79Å; H53-H97 AromaticContact CG-CD2 3.85Å; H53-H97 AromaticContact ND1-CD2 3.47Å; H53-H97 PolarHBondContact ND1-CD2 2.98Å; H53-H97 AromaticContact ND1-CG 3.82Å; H53-H97 AromaticContact ND1-NE2 3.9Å; H53-H97 AromaticContact NE2-CD2 3.97Å; H97-P99 WeakPolarHBondContact O-CD 3.27Å
98E56.9Low60.2Low80 Ų8095.2 Ų95.237%0.37453%0.534SS..  trans-61.4111.7164.1-80.7-98.1-17800109.3I96 A100 Y102I96-E98 HydrophobicContact CG2-CG 3.83Å; I96-E98 PolarHBondContact O-N 2.94Å; E98-A100 PolarHBondContact O-N 3.43Å; E98-A100 VanDerWaalsContact O-N 3.15Å; E98-Y102 VanDerWaalsContact CD-CZ 3.42Å; E98-Y102 HydrophobicContact CG-CE1 4.03Å; E98-Y102 VanDerWaalsContact OE1-CE2 3.27Å; E98-Y102 WeakPolarHBondContact OE1-CE2 3.26Å; E98-Y102 PolarHBondContact OE1-OH 3.08Å; E98-Y102 WeakPolarHBondContact OE2-CD1 3.25Å; E98-Y102 VanDerWaalsContact OE2-CE1 3.26Å; E98-Y102 WeakPolarHBondContact OE2-CE1 3.27Å
99P47.7Very low57.8Low89 Ų89100.1 Ų100.158%0.57857%0.567SS**  trans-67.2112160.829.5-30.6000106.6H97 G101H97-P99 WeakPolarHBondContact O-CD 3.27Å; P99-G101 PolarHBondContact O-N 2.98Å
100A42.6Very low55.5Low112 Ų112104.4 Ų104.493%0.92660%0.603SS**SBendtrans-43.6101.8-172.600000112.3E98E98-A100 PolarHBondContact O-N 3.43Å; E98-A100 VanDerWaalsContact O-N 3.15Å
101G43.5Very low53Low77 Ų77109.1 Ų109.179%0.79463%0.625SS**SBendtrans156-7.9-17000000117.5P99P99-G101 PolarHBondContact O-N 2.98Å
102Y46.2Very low50.4Low74 Ų74108.8 Ų108.829%0.2964%0.642SS.*  trans-117.382.5168.594.6-96.3000111.5I96 E98 L104I96-Y102 WeakPolarHBondContact CG2-OH 3.05Å; E98-Y102 VanDerWaalsContact CD-CZ 3.42Å; E98-Y102 HydrophobicContact CG-CE1 4.03Å; E98-Y102 VanDerWaalsContact OE1-CE2 3.27Å; E98-Y102 WeakPolarHBondContact OE1-CE2 3.26Å; E98-Y102 PolarHBondContact OE1-OH 3.08Å; E98-Y102 WeakPolarHBondContact OE2-CD1 3.25Å; E98-Y102 VanDerWaalsContact OE2-CE1 3.26Å; E98-Y102 WeakPolarHBondContact OE2-CE1 3.27Å; Y102-L104 VanDerWaalsContact C-N 3.28Å; Y102-L104 HydrophobicContact CD2-CB 4.2Å; Y102-L104 HydrophobicContact CE2-CB 4.02Å; Y102-L104 PolarHBondContact O-N 2.85Å
103E44.5Very low48.2Very low198 Ų198109.8 Ų109.893%0.92566%0.66SS**  trans-64.890.8169.4-70.7-169.7143.700110.1A105E103-A105 PolarHBondContact O-N 2.93Å; E103-A105 VanDerWaalsContact O-N 3.07Å
104L43.8Very low46.3Very low103 Ų103114.6 Ų114.654%0.53969%0.688SS.*  trans-68104.4164.5-179.260.3000107.4Y102 K106Y102-L104 VanDerWaalsContact C-N 3.28Å; Y102-L104 HydrophobicContact CD2-CB 4.2Å; Y102-L104 HydrophobicContact CE2-CB 4.02Å; Y102-L104 PolarHBondContact O-N 2.85Å; L104-K106 PolarHBondContact O-N 3.07Å
105A47Very low44.7Very low82 Ų82117.4 Ų117.468%0.67869%0.693SS**  trans-49.8107.6-175.500000111.4E103 E107E103-A105 PolarHBondContact O-N 2.93Å; E103-A105 VanDerWaalsContact O-N 3.07Å; A105-E107 PolarHBondContact O-N 3.46Å
106K39.8Very low43.7Very low191 Ų191119.3 Ų119.383%0.8371%0.713SS**  trans-77.3107.1164.4-70.4-163.9177.9-177.20107.7L104 T108L104-K106 PolarHBondContact O-N 3.07Å; K106-T108 PolarHBondContact O-N 3.33Å
107E35Very low42.2Very low188 Ų188118.4 Ų118.488%0.87973%0.727SS**  trans-62.896.5-179.8-51.5-174.8164.700110.1A105A105-E107 PolarHBondContact O-N 3.46Å
108T35.9Very low41.7Very low127 Ų127119.6 Ų119.678%0.77974%0.741SS**  trans-84121.2171.151.70000109.6K106K106-T108 PolarHBondContact O-N 3.33Å
109P43.2Very low41.1Very low122 Ų122121.5 Ų121.579%0.79276%0.76SS**  trans-78144.9171.931.4-33000111.8
110A41.4Very low41.2Very low94 Ų94128.2 Ų128.278%0.77777%0.774SS**SBendtrans75.6102.316400000119.7
111E38.8Very low41.3Very low205 Ų205133.1 Ų133.196%0.95878%0.775SS**  trans47.7130.9132.9-58.1-158102.600122.8
112G32.6Very low41Very low79 Ų79132.9 Ų132.981%0.81477%0.772SS**  trans173.189.1166.100000113.1
113A37.4Very low41.1Very low88 Ų88137.3 Ų137.373%0.72780%0.801SS**  trans-70.7148-170.900000116.1
114V38.4Very low41.2Very low142 Ų142132.8 Ų132.886%0.86180%0.797SS**  trans59.2157153.7-56.50000118.8
115E37.2Very low41.3Very low173 Ų173137.2 Ų137.281%0.80882%0.815SS**  cis-149.4-169.63.5-142.3-124.5106.400112.1
116A42.9Very low40.9Very low84 Ų84136.7 Ų136.769%0.69482%0.817SS**  trans-58154.5-171.600000117.6
117G33.2Very low41.3Very low72 Ų72133.4 Ų133.474%0.74282%0.818SS**  trans-163.256.7175.800000114.6P119G117-P119 WeakPolarHBondContact O-CD 3.36Å
118V48.1Very low41.8Very low132 Ų132130.2 Ų130.280%0.882%0.817SS**  trans-77.3128.8169.5-177.50000109.5R120V118-R120 HydrophobicContact CG1-CG 4.41Å
119P44.9Very low42.6Very low119 Ų119130.7 Ų130.777%0.77382%0.815SS**  trans-129.2134.8132.234.2-25.5000112.3G117G117-P119 WeakPolarHBondContact O-CD 3.36Å
120R48Very low43.1Very low230 Ų230133 Ų13387%0.86882%0.815SS**  trans-82159.4167.8-71.5177.3157.7-156.6-5.7110.5V118V118-R120 HydrophobicContact CG1-CG 4.41Å
121K46.1Very low43.8Very low216 Ų216135.5 Ų135.594%0.93982%0.815SS**  trans83.3119.5144-166.2-178.3179.8-1740117.2
122G37.5Very low44.6Very low71 Ų71134.4 Ų134.473%0.73281%0.81SS**  trans178.974.8167.600000111.3A124G122-A124 PolarHBondContact O-N 2.79Å
123N46.9Very low45.4Very low168 Ų168133.9 Ų133.990%0.89881%0.805SS**  trans-63.9128.6163.6-81.832000108.2
124A48.1Very low46.2Very low102 Ų102134.9 Ų134.984%0.84380%0.802SS**  trans-126.6119156.600000106.8G122G122-A124 PolarHBondContact O-N 2.79Å
125E45.4Very low46.6Very low196 Ų196136.3 Ų136.392%0.91680%0.804SS**  trans-98.6148.9-178.5-172.8-174.8114.200109.4
126G37.4Very low47.4Very low71 Ų71135 Ų13573%0.73280%0.801SS**  trans89.2155.3176.400000114.6
127S48.4Very low47.8Very low122 Ų122138.3 Ų138.385%0.85381%0.805SS**  cis-168.1124.9-6.2174.40000108.4
128S47.1Very low48.7Very low121 Ų121140.4 Ų140.485%0.84680%0.799SS**  trans-16596.5153.4-139.50000112
129D52.1Low49.3Very low138 Ų138142 Ų14274%0.73880%0.799SS**  -48.8152.8127-122-144.6000107.7
130E54.3Low49.5Very low169 Ų169144.1 Ų144.179%0.7980%0.795SS**  cis-145.7158.730.6-53.1172.8143.900105.6
131D55.5Low49.5Very low148 Ų148138.3 Ų138.379%0.79179%0.785SS**  179.1152.275.1-171.2-98.3000110.2G133D131-G133 PolarHBondContact O-N 2.74Å
132E54.6Low49.6Very low181 Ų181135 Ų13585%0.84678%0.778SS**  trans-96.883.9-165.5-56.3-158.4127.900114.2T134E132-T134 VanDerWaalsContact C-N 3.26Å; E132-T134 PolarHBondContact O-N 3.04Å
133G50.5Low50.1Low68 Ų68142.6 Ų142.670%0.70179%0.785SS**  trans-69.658.8179.900000116.7D131 L135D131-G133 PolarHBondContact O-N 2.74Å; G133-L135 PolarHBondContact O-N 2.76Å
134T52.7Low49.6Very low109 Ų109137.9 Ų137.967%0.66978%0.776SS**  trans-70.893.8172.5-63.60000110.6E132 I136E132-T134 VanDerWaalsContact C-N 3.26Å; E132-T134 PolarHBondContact O-N 3.04Å; T134-I136 HydrophobicContact CG2-CG1 4.41Å; T134-I136 WeakPolarHBondContact O-CD1 3.34Å; T134-I136 PolarHBondContact O-N 3.42Å
135L47.5Very low49.3Very low172 Ų172136.6 Ų136.690%0.90177%0.772SS**  trans-7794.1174.4-67.6-175.9000111.4G133G133-L135 PolarHBondContact O-N 2.76Å
136I53.6Low49.2Very low146 Ų146131.8 Ų131.875%0.74977%0.766SS**  trans-56.4144173.1-64.4117.4000111.8T134 D138T134-I136 HydrophobicContact CG2-CG1 4.41Å; T134-I136 WeakPolarHBondContact O-CD1 3.34Å; T134-I136 PolarHBondContact O-N 3.42Å; I136-D138 PolarHBondContact O-N 2.9Å
137I53Low49.7Very low153 Ų153137.5 Ų137.579%0.78577%0.771SS**  trans-66.5106.5172.5-63.4154.3000109.3E139I137-E139 PolarHBondContact O-N 2.94Å; I137-E139 VanDerWaalsContact O-N 3.16Å
138D51.7Low49.6Very low116 Ų116143.4 Ų143.462%0.6277%0.774SS**  trans-81.289.4166.1-174.2-130.3000109.5I136 K140I136-D138 PolarHBondContact O-N 2.9Å; D138-K140 PolarHBondContact O-N 3.15Å; D138-K140 WeakPolarHBondContact OD1-CD 3.37Å; D138-K140 IonicContact OD1-NZ 3.72Å; D138-K140 PolarHBondContact OD1-NZ 2.91Å; D138-K140 IonicContact OD2-NZ 3.67Å; D138-K140 PolarHBondContact OD2-NZ 3.08Å
139E59.1Low49.6Very low167 Ų167147.5 Ų147.578%0.7878%0.777SS**  trans-65.795.3170179.6175.363.500110.3I137I137-E139 PolarHBondContact O-N 2.94Å; I137-E139 VanDerWaalsContact O-N 3.16Å
140K50.9Low49.1Very low163 Ų163146 Ų14671%0.70978%0.783SS**  trans-111.373.7165-76.5-172.1177.770.70111.9D138 D142D138-K140 PolarHBondContact O-N 3.15Å; D138-K140 WeakPolarHBondContact OD1-CD 3.37Å; D138-K140 IonicContact OD1-NZ 3.72Å; D138-K140 PolarHBondContact OD1-NZ 2.91Å; D138-K140 IonicContact OD2-NZ 3.67Å; D138-K140 PolarHBondContact OD2-NZ 3.08Å; K140-D142 PolarHBondContact O-N 3.42Å
141T48.1Very low48.4Very low107 Ų107141.3 Ų141.366%0.65678%0.781SS**  trans-76.7102.4153.2-610000108.1R143T141-R143 PolarHBondContact O-N 3.07Å
142D47.3Very low47.6Very low146 Ų146141.2 Ų141.278%0.78178%0.781SS**  trans-62.5122.2171.2-176.4-96.5000110.4K140 G144K140-D142 PolarHBondContact O-N 3.42Å; D142-G144 PolarHBondContact OD1-N 2.95Å; D142-G144 VanDerWaalsContact OD1-N 3.1Å
143R47.9Very low46.9Very low232 Ų232137 Ų13788%0.87577%0.771SS**  trans-104.763.5175.5-77.1-173.3176.6158.61.5111T141 G145T141-R143 PolarHBondContact O-N 3.07Å; R143-G145 PolarHBondContact O-N 2.94Å
144G36.9Very low46.4Very low69 Ų69140.1 Ų140.171%0.71178%0.776SS**  trans-78.786.6164.300000113.1D142D142-G144 PolarHBondContact OD1-N 2.95Å; D142-G144 VanDerWaalsContact OD1-N 3.1Å
145G41.4Very low45.8Very low75 Ų75143.2 Ų143.277%0.77378%0.783SS**  trans-100.1127.5-177.900000115.6R143R143-G145 PolarHBondContact O-N 2.94Å
146A43.5Very low45.2Very low95 Ų95140.2 Ų140.279%0.78578%0.776SS**  trans-161.398.8156.600000116.1
147K47.4Very low44.7Very low190 Ų190138.1 Ų138.183%0.82678%0.775SS**  trans48.9109.3140.4-60.5179.6176.3176.90120.6
148R47.2Very low44.9Very low246 Ų246136 Ų13693%0.92877%0.771SS**  162.6142.8114.6-85.2162.1-80.2-165.71.5107.6
149K45.8Very low44.1Very low208 Ų208139.9 Ų139.990%0.90478%0.782SS**  cis-152.4164.116.8-166.9178.9-179.4-174.30109.4
150A42.9Very low43.3Very low105 Ų105141.2 Ų141.287%0.86878%0.78SS**  trans-84.2169.8-171.100000116.4
151G39.8Very low43.2Very low72 Ų72139 Ų13974%0.74278%0.782SS**  trans137.579.1178.100000109.4
152D38.4Very low42.6Very low146 Ų146142.2 Ų142.278%0.78179%0.787SS**  67.4121.459.2-161.7-99.4000114.5
153S38.8Very low42.4Very low92 Ų92140.3 Ų140.364%0.64378%0.777SS**  trans63.2141.4161.9-65.80000118.6
154V40.8Very low41.9Very low133 Ų133135.2 Ų135.281%0.80677%0.772SS**  cis-155.7161.7-4.1-1050000110.3
155E39.5Very low42Very low175 Ų175140 Ų14082%0.81878%0.776SS**  trans-30159.1153-169.182.679.900116.5
156S35.3Very low41.9Very low108 Ų108141 Ų14176%0.75577%0.77SS**  trans103111.8141.7-136.50000120.1
157S43.7Very low41.6Very low103 Ų103146.3 Ų146.372%0.7278%0.776SS**  trans-78170.7139.9-56.30000109
158P55.7Low40.8Very low108 Ų108141.2 Ų141.270%0.70178%0.777SS**  cis-143.3-164.49262.2000114.5
159K36.5Very low40.3Very low198 Ų198136.8 Ų136.886%0.86177%0.772SS**  trans106.5132.6146.6-60.3-170.6-178.9177.20121.8
160R42Very low39.9Very low194 Ų194132.4 Ų132.473%0.73277%0.768SS**  trans-54.9149.8165168.6-176.7170.7178.50.1114.8D163R160-D163 IonicContact CZ-OD2 3.48Å; R160-D163 IonicContact NE-OD2 3.92Å; R160-D163 IonicContact NH2-OD1 2.73Å; R160-D163 IonicContact NH2-OD2 3.21Å; R160-D163 PolarHBondContact NH2-OD2 3.25Å
161P47.4Very low39.6Very low117 Ų117136.8 Ų136.876%0.7677%0.767SS**  -124.6171.4116.32.719000111.1
162K37.3Very low39.4Very low175 Ų175140.1 Ų140.176%0.76177%0.773SS**  cis152.396-15.5-177.5163.9-176.4173.80105.2
163D42.4Very low39.3Very low105 Ų105139.3 Ų139.356%0.56177%0.769SS**  72.5126.4108.2-71.8-94.6000116.3R160R160-D163 IonicContact CZ-OD2 3.48Å; R160-D163 IonicContact NE-OD2 3.92Å; R160-D163 IonicContact NH2-OD1 2.73Å; R160-D163 IonicContact NH2-OD2 3.21Å; R160-D163 PolarHBondContact NH2-OD2 3.25Å
164T37.1Very low39Very low126 Ų126138.8 Ų138.877%0.77377%0.765SS**  -177.9122.1123.130.20000112.4
165E40.1Very low38.7Very low170 Ų170141.1 Ų141.179%0.79476%0.764SS**  trans45.6149.5132.5-74.5-173.277.900122.6
166S37.8Very low38.8Very low94 Ų94142 Ų14266%0.65777%0.765SS**  cis-162.1154.52311.50000115.2
167K36.7Very low38.9Very low207 Ų207142.2 Ų142.290%0.977%0.767SS**  trans61.9131.5148.8-64.4-173.9-177.6-172.80122.5
168G31.9Very low38.8Very low83 Ų83144.4 Ų144.486%0.85677%0.77SS**  trans17288.8164.700000111.8
169D36.3Very low37.8Very low153 Ų153144.2 Ų144.282%0.81877%0.767SS**  trans-90.3134.1-178.1-175.5-78.1000111.5
170S37.6Very low37.8Very low116 Ų116142.4 Ų142.481%0.81176%0.762SS**  trans179.1156.9137.7-86.80000114.9
171K36.4Very low37.8Very low197 Ų197139.4 Ų139.486%0.85776%0.76SS**  trans-94.1-177.2-167.9-137.4176.7-173.3177.10113
172V36.8Very low37.3Very low142 Ų142143.4 Ų143.486%0.86177%0.765SS**  trans81.1150156.3114.40000115.3
173D35Very low37.6Very low130 Ų130142.2 Ų142.270%0.69577%0.766SS**  cis-168.6166-35.4178.7-131000107.5
174S33.7Very low37.4Very low81 Ų81144.7 Ų144.757%0.56678%0.78SS**  trans58.3116.4149.9-85.50000123
175K33.5Very low37.6Very low182 Ų182145 Ų14579%0.79178%0.777SS**  88.7111.8105.8-164.7168178.5-76.20121.2
176K41.1Very low37.5Very low194 Ų194146 Ų14684%0.84378%0.778SS**  trans29.3123.8138.5-64.5-169.3176.6-168.40121.7
177S38.8Very low37.4Very low112 Ų112145.8 Ų145.878%0.78378%0.782SS**  -170.8130.9126.148.50000106.6
178D41Very low37.5Very low148 Ų148139.2 Ų139.279%0.79177%0.773SS**  cis64.2150.249.1-157.6-96.3000115.5
179T34.9Very low38.1Very low105 Ų105141.2 Ų141.264%0.64477%0.771SS**  trans94.685.7164-40.90000118.5
180E36.5Very low38.7Very low160 Ų160143.8 Ų143.875%0.74878%0.775SS**  58.5136.9121.6-78.3-161.2104.700126.4
181L40.6Very low39.3Very low130 Ų130143.8 Ų143.868%0.68177%0.772SS**  trans61.1119.2138.5-63.7177.7000122.6
182K37.1Very low39.2Very low202 Ų202141.3 Ų141.388%0.87877%0.774SS**  -146.5115.9129-147.377.2172.5-171.40112.4
183L44.9Very low39.2Very low149 Ų149138.2 Ų138.278%0.7876%0.763SS**  trans-77.2149.9161.4-73.3160.6000109.4
184N36.8Very low39.3Very low158 Ų158140.6 Ų140.685%0.84578%0.775SS**  trans-151.2114.2143.2-13894.2000112
185D43.1Very low39.4Very low133 Ų133141.4 Ų141.471%0.71178%0.781SS**  trans-78.6146.1166.8177.8-95.4000110.2
186K38Very low39.8Very low190 Ų190138.7 Ų138.783%0.82678%0.784SS**  -178.7122.5130-103.3-174177.5-166.60115.2
187A35.5Very low39.5Very low89 Ų89134.1 Ų134.174%0.73678%0.783SS**  trans50.3119138.600000121.2
188G38.1Very low39.4Very low69 Ų69132.6 Ų132.671%0.71179%0.785SS**  trans-76.1-170.9156.900000113.1
189P45.4Very low39.4Very low125 Ų125134.1 Ų134.181%0.81279%0.787SS**  -152.2149.782.939.6-21.8000118.6
190K47.3Very low40Very low207 Ų207135 Ų13590%0.980%0.795SS**  trans69.1160.5139.7-81-160.7172.2-178.20121.4
191P50Low40.2Very low116 Ų116136.5 Ų136.575%0.75380%0.799SS**  trans-116173-148.143.3-34.5000114.3
192T34.8Very low41Very low145 Ų145135.2 Ų135.289%0.8980%0.799SS**  trans-121.5122.3162.5-37.90000109.3
193A36.8Very low40.9Very low77 Ų77134.9 Ų134.964%0.63680%0.8SS**  trans-81.3163.2172.200000110.7
194L38.1Very low40.5Very low180 Ų180132.4 Ų132.494%0.94280%0.795SS**  -154.8129.5124-105.6167.8000109.2
195S35.3Very low40.6Very low99 Ų99133.8 Ų133.869%0.69280%0.796SS**  trans-108.1153.9-172.6-49.50000110.9
196S40.9Very low40.5Very low124 Ų124131.9 Ų131.987%0.86780%0.799SS**  trans171.7155.6132-79.20000110.1
197A36.4Very low40.9Very low99 Ų99132.5 Ų132.582%0.81880%0.802SS**  cis-178.5136.9-27.800000104.6
198G34.7Very low42.3Very low80 Ų80133.6 Ų133.683%0.82580%0.802SS**  trans169.843.2-176.400000119.7
199E42.7Very low42.6Very low179 Ų179135.8 Ų135.884%0.83680%0.804SS**  trans-126.8136.5155-106.9-170.284.700108.5
200P47.7Very low42.4Very low125 Ų125136 Ų13681%0.81280%0.803SS**  trans-128.6155.8136.336-28.1000113.8
201K39.8Very low42.2Very low191 Ų191134 Ų13483%0.8380%0.797SS**  trans-77.9-174.2-178.4-112.2-162.775.5-175.60112.5
202P58Low42.2Very low103 Ų103133.4 Ų133.467%0.66980%0.801SS**  trans-109.3159.6-150.342.2-35.2000115.1
203E34.2Very low42.5Very low195 Ų195134.1 Ų134.191%0.91179%0.794SS**  trans-163.8154.7162.2-153.915874.400108
204S37.3Very low42.8Very low96 Ų96137.1 Ų137.167%0.67180%0.799SS**  cis178.8156-37.8-174.10000105.6
205Q37.7Very low43.1Very low187 Ų187134 Ų13487%0.87479%0.788SS**  trans85.9151.3160.6-47.6-161.663.600122.6
206A40.8Very low43.7Very low94 Ų94134 Ų13478%0.77779%0.788SS**  trans80.580.7152.600000121.3
207K48Very low44.3Very low202 Ų202136.4 Ų136.488%0.87879%0.785SS**  31.9153.6114.7-76.4-165.8177.6-172.70122.4
208P63.4Low45.5Very low113 Ų113141.1 Ų141.173%0.73479%0.787SS**  trans-85.1166.5-16438.7-39.3000114
209P46.1Very low47Very low115 Ų115143 Ų14375%0.74779%0.785SS**  -133.6-174100.741-29.6000111.4
210T40.7Very low47.6Very low130 Ų130140.7 Ų140.780%0.79878%0.783SS**  cis-145.8159.310.4-330000112.3
211E42.3Very low48.2Very low165 Ų165141.2 Ų141.277%0.77178%0.784SS**  trans-58.7144.6158.7171.7-1789900113.9
212A51.2Low49Very low102 Ų102138.8 Ų138.884%0.84378%0.78SS**  trans-151.488.3158.300000110.3
213Q41.6Very low49.2Very low161 Ų161139.5 Ų139.575%0.75279%0.787SS**  trans-73.2149.1153.7-62.3-16763.900108.8
214L42.1Very low50.3Low139 Ų139138.3 Ų138.373%0.72881%0.811SS**  165.3145.6109.3-142.370.5000110.8
215T43.8Very low51Low116 Ų116140.5 Ų140.571%0.71282%0.818SS**  trans39.7120.7151.148.50000118.9
216S48.8Very low51.7Low99 Ų99138 Ų13869%0.69282%0.815SS**  -172.817262.6-78.60000108.1
217E53.2Low52.3Low173 Ų173140.4 Ų140.481%0.80882%0.817SS**  cis-155.5155.43.8-132.3159.396.200107.4
218K62.5Low52.6Low198 Ų198136.8 Ų136.886%0.86181%0.814SS**PPolyproline II helixtrans-98.4118.1167.5-71.1-176.1179-1770109.2V220K218-V220 PolarHBondContact O-N 3.33Å
219P66Low51.9Low120 Ų120138.3 Ų138.378%0.77982%0.819SS**PPolyproline II helixtrans-73.1117.7163.428.9-30.3000109.3
220V53.9Low52.3Low131 Ų131139.9 Ų139.979%0.79482%0.823SS**PPolyproline II helixtrans-64.1128.9156.3155.70000107.8K218K218-V220 PolarHBondContact O-N 3.33Å
221T61.7Low53.1Low136 Ų136140.6 Ų140.683%0.83483%0.825SS**  trans-123.9101154.642.30000108.3
222D55.8Low53.9Low140 Ų140138.7 Ų138.775%0.74983%0.83SS**  trans-63.4137.3159176-99000109.6
223S61.9Low54.1Low117 Ų117141.8 Ų141.882%0.81883%0.828SS**  trans-163.6130.2155.6-77.70000109.7
224A58.5Low55.3Low171 Ų171140 Ų140100%1.41384%0.835SS**  trans-84.90179.900000113.7

Retrieved 224 of 224 residues in 810.8 ms (Link to these results)

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