A0A087YGD9_POEFO Loading...

Putative tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase

Methylates the 2'-O-ribose of nucleotides at positions 32 and 34 of the tRNA anticodon loop of substrate tRNAs.

AlphaFold DB , UniProt , Accession A0A087YGD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 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
1M45.3Very low60.6Low221 Ų221115.4 Ų115.4100%1.08956%0.555SS**  0128.60-71.4179.7-152.100108.2R3M1-R3 PolarHBondContact O-N 3.46Å
2G44.6Very low63.1Low35 Ų35109.3 Ų109.336%0.36152%0.522SS..  trans-63.5105.8177.400000110.6
3R47.5Very low65Low246 Ų246106.6 Ų106.693%0.92851%0.505SS*.  trans-86.4-5.4-169.7-80.1175.2177.4174.6-0.9113.8M1M1-R3 PolarHBondContact O-N 3.46Å
4S57.3Low66.8Low50 Ų50107.4 Ų107.435%0.3550%0.5SS..SBendtrans-122.3155.1-176.390.60000115K6 D7S4-K6 PolarHBondContact O-N 3.29Å; S4-K6 PolarHBondContact OG-N 2.9Å; S4-D7 PolarHBondContact O-N 3.28Å; S4-D7 PolarHBondContact OG-N 2.92Å; S4-D7 PolarHBondContact OG-OD2 3.4Å
5S59.7Low68.4Low87 Ų87103.4 Ų103.461%0.60848%0.483SS*.Hα-helixtrans-61.7-18.7173.464.30000113.8R9S5-R9 PolarHBondContact O-NE 3.43Å
6K60.4Low69.9Low137 Ų13797.1 Ų97.160%0.59646%0.455SS*.Hα-helixtrans-77.2-39.5179.7-157.7175.7-177.9177.30111.4S4 K8 R9 D10S4-K6 PolarHBondContact O-N 3.29Å; S4-K6 PolarHBondContact OG-N 2.9Å; K6-K8 VanDerWaalsContact C-N 3.35Å; K6-R9 PolarHBondContact O-N 3.34Å; K6-D10 PolarHBondContact O-N 3.38Å
7D56.8Low71.1Confident45 Ų4598.6 Ų98.624%0.24146%0.459CS..Hα-helixtrans-72.2-29.5178.7-61-43.3000112.4S4 R9 D10 R187S4-D7 PolarHBondContact O-N 3.28Å; S4-D7 PolarHBondContact OG-N 2.92Å; S4-D7 PolarHBondContact OG-OD2 3.4Å; D7-R9 VanDerWaalsContact C-N 3.27Å; D7-R9 PolarHBondContact O-N 3.27Å; D7-D10 WeakPolarHBondContact O-CB 3.13Å; D7-D10 PolarHBondContact O-N 3.22Å; D7-R187 IonicContact OD1-NH2 2.76Å; D7-R187 PolarHBondContact OD1-NH2 3.07Å
8K55.8Low72.3Confident154 Ų154100.8 Ų100.867%0.6747%0.47SS*.Hα-helixtrans-66.2-28.2171.7-70.2-175.8178.1-179.10113K6 R14K6-K8 VanDerWaalsContact C-N 3.35Å; K8-R14 WeakPolarHBondContact O-CD 3.45Å
9R67.9Low73.4Confident187 Ų187100.2 Ų100.271%0.70647%0.467SS*.Hα-helixtrans-84.1-12.9175.6-74.1-172.5-74.6178.4-3.1113.2S5 K6 D7 I11S5-R9 PolarHBondContact O-NE 3.43Å; K6-R9 PolarHBondContact O-N 3.34Å; D7-R9 VanDerWaalsContact C-N 3.27Å; D7-R9 PolarHBondContact O-N 3.27Å; R9-I11 PolarHBondContact O-N 2.74Å; R9-I11 VanDerWaalsContact O-N 3.16Å
10D82.5Confident74.5Confident18 Ų1897.2 Ų97.210%0.09646%0.464CS..  trans-73.1107.6179.8-167.3-37.8000110.5K6 D7 Y12 Y13 R14 R24 R187K6-D10 PolarHBondContact O-N 3.38Å; D7-D10 WeakPolarHBondContact O-CB 3.13Å; D7-D10 PolarHBondContact O-N 3.22Å; D10-Y12 VanDerWaalsContact C-N 3.31Å; D10-Y12 PolarHBondContact O-N 2.81Å; D10-Y12 PolarHBondContact OD1-N 3Å; D10-Y13 WeakPolarHBondContact O-CB 3.46Å; D10-Y13 PolarHBondContact O-N 3.07Å; D10-Y13 PolarHBondContact OD1-N 3.13Å; D10-R14 PolarHBondContact O-N 2.98Å; D10-R24 VanDerWaalsContact CG-NE 3.26Å; D10-R24 IonicContact OD1-CZ 2.81Å; D10-R24 IonicContact OD1-NE 3.05Å; D10-R24 PolarHBondContact OD1-NE 2.84Å; D10-R24 IonicContact OD1-NH2 3.03Å; D10-R24 PolarHBondContact OD1-NH2 3.17Å; D10-R24 IonicContact OD2-CZ 2.7Å; D10-R24 IonicContact OD2-NE 3.06Å; D10-R24 PolarHBondContact OD2-NE 2.83Å; D10-R24 IonicContact OD2-NH1 3.49Å; D10-R24 PolarHBondContact OD2-NH1 3Å; D10-R24 IonicContact OD2-NH2 2.65Å; D10-R24 PolarHBondContact OD2-NH2 3.42Å; D10-R187 IonicContact OD2-CZ 2.69Å; D10-R187 IonicContact OD2-NE 3.32Å; D10-R187 PolarHBondContact OD2-NE 2.95Å; D10-R187 IonicContact OD2-NH2 3.33Å; D10-R187 PolarHBondContact OD2-NH2 3.08Å
11I88.4Confident75.5Confident89 Ų8993.5 Ų93.546%0.45645%0.445SS..Hα-helixtrans-58.4-41.8-176.4-168.6168.4000112.2R9 Y13 R14 L15R9-I11 PolarHBondContact O-N 2.74Å; R9-I11 VanDerWaalsContact O-N 3.16Å; I11-Y13 VanDerWaalsContact C-N 3.3Å; I11-Y13 PolarHBondContact O-N 3.31Å; I11-R14 PolarHBondContact O-N 3.43Å; I11-L15 HydrophobicContact CG1-CD1 4.01Å; I11-L15 HydrophobicContact CG1-CG 4.27Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.07Å
12Y90.7Very high77.9Confident43 Ų4386.3 Ų86.317%0.16941%0.406CS..Hα-helixtrans-73.1-25-178.3-62.7-75.4000112.4D10 L15 A16 R24 F27 Q31 S185D10-Y12 VanDerWaalsContact C-N 3.31Å; D10-Y12 PolarHBondContact O-N 2.81Å; D10-Y12 PolarHBondContact OD1-N 3Å; Y12-L15 HydrophobicContact CD1-CD1 4.38Å; Y12-A16 WeakPolarHBondContact O-CB 3.23Å; Y12-A16 PolarHBondContact O-N 3Å; Y12-R24 WeakPolarHBondContact O-CB 3.35Å; Y12-F27 HydrophobicContact CD1-CB 3.9Å; Y12-F27 HydrophobicContact CD1-CD1 4.33Å; Y12-F27 AromaticContact CD1-CD2 3.86Å; Y12-F27 HydrophobicContact CD1-CD2 3.86Å; Y12-F27 AromaticContact CD1-CG 3.76Å; Y12-F27 HydrophobicContact CD1-CG 3.76Å; Y12-F27 HydrophobicContact CE1-CB 4.34Å; Y12-F27 HydrophobicContact CE1-CG 4.42Å; Y12-F27 HydrophobicContact CG-CD2 4.45Å; Y12-Q31 PolarHBondContact OH-NE2 3.4Å; Y12-S185 VanDerWaalsContact CE2-CA 3.41Å
13Y88.6Confident80.2Confident74 Ų7485.9 Ų85.929%0.2940%0.399SS..Hα-helixtrans-68-42.9170178.6-93000111.4D10 I11 A16 K17D10-Y13 WeakPolarHBondContact O-CB 3.46Å; D10-Y13 PolarHBondContact O-N 3.07Å; D10-Y13 PolarHBondContact OD1-N 3.13Å; I11-Y13 VanDerWaalsContact C-N 3.3Å; I11-Y13 PolarHBondContact O-N 3.31Å; Y13-A16 PolarHBondContact O-N 3.37Å; Y13-K17 HydrophobicContact CE1-CG 4.39Å; Y13-K17 PolarHBondContact O-N 2.96Å
14R89.5Confident82.4Confident118 Ų11876.3 Ų76.345%0.44536%0.363SS..Hα-helixtrans-66-50.2176.8-68.5-172-69.5144.2-2.4111.8K8 D10 I11 A16 K17 E18K8-R14 WeakPolarHBondContact O-CD 3.45Å; D10-R14 PolarHBondContact O-N 2.98Å; I11-R14 PolarHBondContact O-N 3.43Å; R14-A16 PolarHBondContact O-N 3.34Å; R14-K17 WeakPolarHBondContact O-CA 3.29Å; R14-K17 WeakPolarHBondContact O-CB 3.25Å; R14-K17 PolarHBondContact O-N 3.32Å; R14-E18 WeakPolarHBondContact O-CG 3.25Å; R14-E18 PolarHBondContact O-N 2.89Å
15L90.4Very high84.3Confident47 Ų4774.6 Ų74.625%0.24635%0.351CS..Hα-helixtrans-56.5-38.4175.4-69.9172.8000111.8I11 Y12 K17 E18 E19 F27I11-L15 HydrophobicContact CG1-CD1 4.01Å; I11-L15 HydrophobicContact CG1-CG 4.27Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.07Å; Y12-L15 HydrophobicContact CD1-CD1 4.38Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.2Å; L15-E18 PolarHBondContact O-N 2.74Å; L15-E19 WeakPolarHBondContact O-CB 3.46Å; L15-E19 WeakPolarHBondContact O-CG 3.14Å; L15-E19 PolarHBondContact O-N 3.42Å; L15-F27 HydrophobicContact CB-CE1 4.4Å; L15-F27 HydrophobicContact CB-CE2 3.78Å; L15-F27 HydrophobicContact CB-CZ 3.5Å; L15-F27 HydrophobicContact CD1-CZ 4.5Å
16A92.6Very high86Confident3 Ų370.5 Ų70.53%0.02532%0.322CS..Hα-helixtrans-60.7-39175.800000112.2Y12 Y13 R14 G20 W21 R24 F27Y12-A16 WeakPolarHBondContact O-CB 3.23Å; Y12-A16 PolarHBondContact O-N 3Å; Y13-A16 PolarHBondContact O-N 3.37Å; R14-A16 PolarHBondContact O-N 3.34Å; A16-G20 CarbonylContact O-C 3.53Å; A16-G20 PolarHBondContact O-N 3.02Å; A16-W21 HydrophobicContact CB-CB 4Å; A16-W21 WeakPolarHBondContact O-CA 3.29Å; A16-W21 PolarHBondContact O-N 3.41Å; A16-R24 HydrophobicContact CB-CB 4.35Å; A16-F27 HydrophobicContact CB-CE2 4.06Å
17K90.1Very high87.8Confident122 Ų12264.9 Ų64.953%0.5330%0.298SS..Hα-helixtrans-72.6-41.9176.9-64.9-59.3179.9-169.30112.3Y13 R14 L15 G20Y13-K17 HydrophobicContact CE1-CG 4.39Å; Y13-K17 PolarHBondContact O-N 2.96Å; R14-K17 WeakPolarHBondContact O-CA 3.29Å; R14-K17 WeakPolarHBondContact O-CB 3.25Å; R14-K17 PolarHBondContact O-N 3.32Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.2Å; K17-G20 PolarHBondContact O-N 3.48Å
18E93.7Very high89.7Confident139 Ų13963.4 Ų63.465%0.6529%0.289SS*.Hα-helixtrans-64.5-41.3179.6-70.1165.8-166.200111.9R14 L15 G20R14-E18 WeakPolarHBondContact O-CG 3.25Å; R14-E18 PolarHBondContact O-N 2.89Å; L15-E18 PolarHBondContact O-N 2.74Å; E18-G20 VanDerWaalsContact C-N 3.34Å
19E93.1Very high91.7Very high89 Ų8956.1 Ų56.142%0.41626%0.258SS..THydrogen-bonded Turntrans-90.84.6-179.7-62.7176.9-161.700113.6L15 W21 F27 R61L15-E19 WeakPolarHBondContact O-CB 3.46Å; L15-E19 WeakPolarHBondContact O-CG 3.14Å; L15-E19 PolarHBondContact O-N 3.42Å; E19-W21 VanDerWaalsContact C-N 3.35Å; E19-W21 VanDerWaalsContact CB-CD1 3.49Å; E19-W21 PolarHBondContact O-N 2.86Å; E19-W21 PolarHBondContact OE2-NE1 3.36Å; E19-F27 WeakPolarHBondContact OE2-CE1 3.09Å; E19-F27 WeakPolarHBondContact OE2-CZ 3.42Å; E19-R61 PolarHBondContact O-NH1 2.8Å
20G94.1Very high93.2Very high39 Ų3948.6 Ų48.640%0.40223%0.231SC..THydrogen-bonded Turntrans66.231.2177.400000114.5A16 K17 E18 Q57 R61A16-G20 CarbonylContact O-C 3.53Å; A16-G20 PolarHBondContact O-N 3.02Å; K17-G20 PolarHBondContact O-N 3.48Å; E18-G20 VanDerWaalsContact C-N 3.34Å; G20-Q57 PolarHBondContact O-NE2 2.95Å; G20-R61 PolarHBondContact O-NH2 2.8Å
21W96Very high93.9Very high20 Ų2050.2 Ų50.28%0.07624%0.238CC..  trans-79.6141.1169.6-59.7112.1000111.3A16 E19 A23 A26 F27 L30 Q57 A58 R61A16-W21 HydrophobicContact CB-CB 4Å; A16-W21 WeakPolarHBondContact O-CA 3.29Å; A16-W21 PolarHBondContact O-N 3.41Å; E19-W21 VanDerWaalsContact C-N 3.35Å; E19-W21 VanDerWaalsContact CB-CD1 3.49Å; E19-W21 PolarHBondContact O-N 2.86Å; E19-W21 PolarHBondContact OE2-NE1 3.36Å; W21-A23 VanDerWaalsContact C-N 3.28Å; W21-A23 PolarHBondContact O-N 2.91Å; W21-A26 HydrophobicContact CB-CB 4.12Å; W21-A26 HydrophobicContact CD2-CB 3.87Å; W21-A26 HydrophobicContact CE3-CB 3.84Å; W21-A26 HydrophobicContact CG-CB 3.99Å; W21-F27 AromaticContact CD1-CZ 3.73Å; W21-F27 AromaticContact NE1-CZ 3.93Å; W21-L30 HydrophobicContact CH2-CD1 4.25Å; W21-L30 HydrophobicContact CZ2-CD1 3.84Å; W21-Q57 VanDerWaalsContact CA-OE1 3.32Å; W21-Q57 HydrophobicContact CE3-CB 4.35Å; W21-Q57 HydrophobicContact CE3-CG 3.88Å; W21-Q57 HydrophobicContact CZ3-CB 4.34Å; W21-Q57 HydrophobicContact CZ3-CG 3.88Å; W21-A58 HydrophobicContact CH2-CB 4.38Å; W21-A58 HydrophobicContact CZ3-CB 4.06Å; W21-R61 HydrophobicContact CH2-CB 4.26Å; W21-R61 VanDerWaalsContact CH2-CD 3.49Å; W21-R61 HydrophobicContact CH2-CG 4.38Å; W21-R61 HydrophobicContact CZ3-CG 4.43Å
22R95.8Very high94.4Very high71 Ų7146.1 Ų46.127%0.26822%0.217SC..SBendtrans-61.4-37.6177.8-70.8-171.5175.9-174.20112.7P52 A81 P82 L83R22-P52 WeakPolarHBondContact CD-O 3.46Å; R22-P52 PolarHBondContact NH1-O 3.41Å; R22-A81 VanDerWaalsContact CZ-O 3.24Å; R22-A81 PolarHBondContact NH1-O 3.27Å; R22-A81 PolarHBondContact NH2-O 3.3Å; R22-P82 PolarHBondContact NH2-O 2.84Å; R22-L83 VanDerWaalsContact CZ-CD2 3.43Å; R22-L83 VanDerWaalsContact NH2-CD2 3.29Å
23A93.8Very high94.7Very high26 Ų2645.3 Ų45.322%0.21522%0.216CC..SBendtrans-148.5159179.100000111.4W21 S25 A26 P52W21-A23 VanDerWaalsContact C-N 3.28Å; W21-A23 PolarHBondContact O-N 2.91Å; A23-S25 WeakPolarHBondContact CB-OG 3.31Å; A23-S25 PolarHBondContact O-N 3.39Å; A23-A26 PolarHBondContact O-N 2.98Å; A23-P52 HydrophobicContact CB-CG 4.45Å
24R93.9Very high95.2Very high44 Ų4449.6 Ų49.617%0.16624%0.238CC..THydrogen-bonded Turntrans-64.1-17.9176.370.2-173.9-63.3-102.6-5.2114D10 Y12 A16 A26 F27 S185D10-R24 VanDerWaalsContact CG-NE 3.26Å; D10-R24 IonicContact OD1-CZ 2.81Å; D10-R24 IonicContact OD1-NE 3.05Å; D10-R24 PolarHBondContact OD1-NE 2.84Å; D10-R24 IonicContact OD1-NH2 3.03Å; D10-R24 PolarHBondContact OD1-NH2 3.17Å; D10-R24 IonicContact OD2-CZ 2.7Å; D10-R24 IonicContact OD2-NE 3.06Å; D10-R24 PolarHBondContact OD2-NE 2.83Å; D10-R24 IonicContact OD2-NH1 3.49Å; D10-R24 PolarHBondContact OD2-NH1 3Å; D10-R24 IonicContact OD2-NH2 2.65Å; D10-R24 PolarHBondContact OD2-NH2 3.42Å; Y12-R24 WeakPolarHBondContact O-CB 3.35Å; A16-R24 HydrophobicContact CB-CB 4.35Å; R24-A26 PolarHBondContact O-N 3.34Å; R24-F27 WeakPolarHBondContact O-CD2 3.4Å; R24-F27 PolarHBondContact O-N 2.88Å; R24-S185 PolarHBondContact NH2-O 2.85Å
25S95.4Very high95.6Very high15 Ų1550.6 Ų50.611%0.10525%0.248CC..THydrogen-bonded Turntrans-64.1-19.817635.30000113.1A23 F27 K28 S54 W55 D117A23-S25 WeakPolarHBondContact CB-OG 3.31Å; A23-S25 PolarHBondContact O-N 3.39Å; S25-F27 PolarHBondContact O-N 3.15Å; S25-K28 VanDerWaalsContact O-CB 3.27Å; S25-K28 WeakPolarHBondContact O-CB 3.18Å; S25-K28 PolarHBondContact O-N 2.76Å; S25-S54 PolarHBondContact OG-OG 2.87Å; S25-W55 PolarHBondContact O-NE1 3.14Å; S25-D117 VanDerWaalsContact CB-OD2 3.26Å; S25-D117 WeakPolarHBondContact CB-OD2 3.42Å
26A97.1Very high95.9Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-53.6-39.9172.100000112.2W21 A23 R24 K28 L29 L30W21-A26 HydrophobicContact CB-CB 4.12Å; W21-A26 HydrophobicContact CD2-CB 3.87Å; W21-A26 HydrophobicContact CE3-CB 3.84Å; W21-A26 HydrophobicContact CG-CB 3.99Å; A23-A26 PolarHBondContact O-N 2.98Å; R24-A26 PolarHBondContact O-N 3.34Å; A26-K28 PolarHBondContact O-N 3.22Å; A26-L29 PolarHBondContact O-N 2.96Å; A26-L30 WeakPolarHBondContact O-CG 3.24Å; A26-L30 PolarHBondContact O-N 3.05Å; A26-L30 VanDerWaalsContact O-N 3.11Å
27F96.4Very high96.1Very high19 Ų1955.2 Ų55.28%0.08327%0.271CS..Hα-helixtrans-65.2-22.2177.9-66.2-73.5000113.7Y12 L15 A16 E19 W21 R24 S25 L30 Q31 S185Y12-F27 HydrophobicContact CD1-CB 3.9Å; Y12-F27 HydrophobicContact CD1-CD1 4.33Å; Y12-F27 AromaticContact CD1-CD2 3.86Å; Y12-F27 HydrophobicContact CD1-CD2 3.86Å; Y12-F27 AromaticContact CD1-CG 3.76Å; Y12-F27 HydrophobicContact CD1-CG 3.76Å; Y12-F27 HydrophobicContact CE1-CB 4.34Å; Y12-F27 HydrophobicContact CE1-CG 4.42Å; Y12-F27 HydrophobicContact CG-CD2 4.45Å; L15-F27 HydrophobicContact CB-CE1 4.4Å; L15-F27 HydrophobicContact CB-CE2 3.78Å; L15-F27 HydrophobicContact CB-CZ 3.5Å; L15-F27 HydrophobicContact CD1-CZ 4.5Å; A16-F27 HydrophobicContact CB-CE2 4.06Å; E19-F27 WeakPolarHBondContact OE2-CE1 3.09Å; E19-F27 WeakPolarHBondContact OE2-CZ 3.42Å; W21-F27 AromaticContact CD1-CZ 3.73Å; W21-F27 AromaticContact NE1-CZ 3.93Å; R24-F27 WeakPolarHBondContact O-CD2 3.4Å; R24-F27 PolarHBondContact O-N 2.88Å; S25-F27 PolarHBondContact O-N 3.15Å; F27-L30 HydrophobicContact CD1-CD1 4.42Å; F27-Q31 VanDerWaalsContact O-CB 3.27Å; F27-Q31 WeakPolarHBondContact O-CB 3.48Å; F27-Q31 WeakPolarHBondContact O-CG 3.47Å; F27-Q31 PolarHBondContact O-N 2.86Å; F27-S185 PolarHBondContact O-OG 3.12Å
28K97.7Very high96.5Very high15 Ų1549.7 Ų49.77%0.06525%0.247CC..Hα-helixtrans-67.2-51.9176.3-57.5-179.6-170.3175.30109.4S25 A26 L30 Q31 L32 W55 P183 S185 E192 F194S25-K28 VanDerWaalsContact O-CB 3.27Å; S25-K28 WeakPolarHBondContact O-CB 3.18Å; S25-K28 PolarHBondContact O-N 2.76Å; A26-K28 PolarHBondContact O-N 3.22Å; K28-L30 PolarHBondContact O-N 2.83Å; K28-Q31 PolarHBondContact O-N 2.78Å; K28-L32 VanDerWaalsContact O-CG 3.24Å; K28-L32 WeakPolarHBondContact O-CG 3.35Å; K28-L32 PolarHBondContact O-N 3.11Å; K28-W55 HydrophobicContact CB-CZ2 4.22Å; K28-P183 HydrophobicContact CB-CG 3.92Å; K28-P183 HydrophobicContact CG-CG 4.19Å; K28-S185 VanDerWaalsContact CA-OG 3.28Å; K28-S185 WeakPolarHBondContact CA-OG 3.39Å; K28-S185 WeakPolarHBondContact CG-OG 3.48Å; K28-S185 PolarHBondContact N-OG 3.24Å; K28-E192 IonicContact NZ-OE1 3.83Å; K28-E192 PolarHBondContact NZ-OE1 2.76Å; K28-E192 IonicContact NZ-OE2 3.89Å; K28-E192 PolarHBondContact NZ-OE2 3.49Å; K28-F194 HydrophobicContact CB-CE2 4.36Å; K28-F194 HydrophobicContact CB-CZ 4.24Å; K28-F194 HydrophobicContact CD-CE2 3.79Å; K28-F194 HydrophobicContact CD-CZ 3.49Å; K28-F194 VanDerWaalsContact CD-CZ 3.49Å; K28-F194 HydrophobicContact CG-CE2 4.5Å; K28-F194 HydrophobicContact CG-CZ 4.45Å
29L98.4Very high96.6Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-63.2-43.2178.1-175.959.2000111.8A26 Q31 L32 D33 L38 F39 W55 A58 L59 V115A26-L29 PolarHBondContact O-N 2.96Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.22Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-D33 WeakPolarHBondContact O-CB 3.28Å; L29-D33 PolarHBondContact O-N 3.37Å; L29-L38 HydrophobicContact CD1-CD1 4.17Å; L29-F39 HydrophobicContact CD1-CE1 4.41Å; L29-F39 HydrophobicContact CD1-CZ 4.4Å; L29-F39 HydrophobicContact CD2-CE1 4.4Å; L29-F39 HydrophobicContact CD2-CZ 4.07Å; L29-F39 HydrophobicContact CG-CE1 4.34Å; L29-F39 HydrophobicContact CG-CZ 3.9Å; L29-W55 HydrophobicContact CB-CD2 3.84Å; L29-W55 HydrophobicContact CB-CE3 4.47Å; L29-W55 HydrophobicContact CB-CG 4.03Å; L29-W55 HydrophobicContact CB-CZ2 4.09Å; L29-W55 HydrophobicContact CD1-CD2 4.47Å; L29-W55 HydrophobicContact CD1-CE3 4.28Å; L29-W55 HydrophobicContact CD1-CZ3 4.31Å; L29-W55 HydrophobicContact CD2-CB 3.88Å; L29-W55 HydrophobicContact CD2-CD2 3.95Å; L29-W55 HydrophobicContact CD2-CE3 4.19Å; L29-W55 HydrophobicContact CD2-CG 3.86Å; L29-W55 HydrophobicContact CG-CD2 4.3Å; L29-A58 HydrophobicContact CD2-CB 4.26Å; L29-L59 HydrophobicContact CD2-CD2 4.25Å; L29-L59 HydrophobicContact CD2-CG 4.14Å; L29-V115 HydrophobicContact CD1-CG1 4.21Å
30L98Very high96.6Very high29 Ų2943.6 Ų43.615%0.15223%0.227CC..Hα-helixtrans-61.5-37.4177.4-66.3173.9000112.9W21 A26 F27 K28 H34 A58 K62W21-L30 HydrophobicContact CH2-CD1 4.25Å; W21-L30 HydrophobicContact CZ2-CD1 3.84Å; A26-L30 WeakPolarHBondContact O-CG 3.24Å; A26-L30 PolarHBondContact O-N 3.05Å; A26-L30 VanDerWaalsContact O-N 3.11Å; F27-L30 HydrophobicContact CD1-CD1 4.42Å; K28-L30 PolarHBondContact O-N 2.83Å; L30-H34 PolarHBondContact O-N 3.03Å; L30-A58 HydrophobicContact CD2-CB 4.21Å; L30-A58 HydrophobicContact CG-CB 4.38Å; L30-K62 HydrophobicContact CD2-CD 4.32Å; L30-K62 HydrophobicContact CD2-CG 3.88Å
31Q98.2Very high96.6Very high53 Ų5345 Ų4525%0.24824%0.241CC..Hα-helixtrans-74.2-34.4176.7-74.4170.4-5.600112.4Y12 F27 K28 L29 Q35 P183 R184 S185Y12-Q31 PolarHBondContact OH-NE2 3.4Å; F27-Q31 VanDerWaalsContact O-CB 3.27Å; F27-Q31 WeakPolarHBondContact O-CB 3.48Å; F27-Q31 WeakPolarHBondContact O-CG 3.47Å; F27-Q31 PolarHBondContact O-N 2.86Å; K28-Q31 PolarHBondContact O-N 2.78Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.22Å; Q31-Q35 PolarHBondContact O-N 3.11Å; Q31-P183 HydrophobicContact CB-CB 3.93Å; Q31-R184 VanDerWaalsContact OE1-N 3.1Å; Q31-S185 PolarHBondContact OE1-OG 2.96Å
32L98.4Very high96.6Very high3 Ų344.9 Ų44.92%0.01624%0.242CC..Hα-helixtrans-65.8-45.5172.3-68.7167.9000110.4K28 L29 H34 Q35 F36 L38 W55 V155 A181 P183 F194 V196K28-L32 VanDerWaalsContact O-CG 3.24Å; K28-L32 WeakPolarHBondContact O-CG 3.35Å; K28-L32 PolarHBondContact O-N 3.11Å; L29-L32 PolarHBondContact O-N 3.35Å; L32-H34 PolarHBondContact O-N 3.5Å; L32-Q35 PolarHBondContact O-N 3.29Å; L32-Q35 VanDerWaalsContact O-N 3.08Å; L32-F36 HydrophobicContact CD2-CD2 4.42Å; L32-F36 HydrophobicContact CD2-CE2 4.14Å; L32-F36 VanDerWaalsContact O-CD2 3.29Å; L32-F36 WeakPolarHBondContact O-CD2 3.38Å; L32-F36 PolarHBondContact O-N 3.22Å; L32-L38 HydrophobicContact CB-CD1 3.85Å; L32-W55 HydrophobicContact CD1-CH2 4.43Å; L32-V155 HydrophobicContact CD1-CG1 4.01Å; L32-A181 HydrophobicContact CD2-CB 3.55Å; L32-P183 HydrophobicContact CG-CG 4.48Å; L32-F194 HydrophobicContact CD1-CB 3.99Å; L32-F194 HydrophobicContact CD1-CD1 4.07Å; L32-F194 HydrophobicContact CD1-CD2 4.3Å; L32-F194 HydrophobicContact CD1-CG 3.83Å; L32-F194 HydrophobicContact CD2-CB 4.34Å; L32-V196 HydrophobicContact CD2-CG2 4.19Å
33D98.3Very high96.6Very high26 Ų2643 Ų4314%0.13924%0.238CC..Hα-helixtrans-56.3-48.517517357.9000111.9L29 Q35 F36 N37 L38 F39L29-D33 WeakPolarHBondContact O-CB 3.28Å; L29-D33 PolarHBondContact O-N 3.37Å; D33-Q35 PolarHBondContact O-N 2.95Å; D33-Q35 VanDerWaalsContact O-N 3.13Å; D33-F36 PolarHBondContact O-N 2.65Å; D33-N37 VanDerWaalsContact O-CA 3.23Å; D33-N37 WeakPolarHBondContact O-CA 3.46Å; D33-N37 PolarHBondContact O-N 3.29Å; D33-L38 HydrophobicContact CB-CB 4.24Å; D33-L38 HydrophobicContact CB-CD1 4.45Å; D33-L38 PolarHBondContact OD1-N 2.95Å; D33-F39 HydrophobicContact CB-CD2 3.87Å; D33-F39 HydrophobicContact CB-CE1 4.35Å; D33-F39 HydrophobicContact CB-CE2 3.61Å; D33-F39 HydrophobicContact CB-CG 4.35Å; D33-F39 HydrophobicContact CB-CZ 3.89Å; D33-F39 VanDerWaalsContact CG-CE2 3.41Å; D33-F39 WeakPolarHBondContact OD1-CB 3.44Å; D33-F39 VanDerWaalsContact OD1-CD2 3.29Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.32Å; D33-F39 VanDerWaalsContact OD1-CG 3.25Å; D33-F39 WeakPolarHBondContact OD1-CG 3.36Å; D33-F39 PolarHBondContact OD1-N 3.29Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.48Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.29Å
34H97.4Very high96.8Very high163 Ų16344 Ų4476%0.75524%0.236SC*.Hα-helixtrans-56.2-33.6176.7-178.8-81.9000113.5L30 L32L30-H34 PolarHBondContact O-N 3.03Å; L32-H34 PolarHBondContact O-N 3.5Å
35Q98Very high97Very high140 Ų14042 Ų4265%0.65423%0.228SC*.Hα-helixtrans-85.2-35-178-175.561.731.300113.2Q31 L32 D33Q31-Q35 PolarHBondContact O-N 3.11Å; L32-Q35 PolarHBondContact O-N 3.29Å; L32-Q35 VanDerWaalsContact O-N 3.08Å; D33-Q35 PolarHBondContact O-N 2.95Å; D33-Q35 VanDerWaalsContact O-N 3.13Å
36F97.8Very high97.2Very high39 Ų3941.2 Ų41.217%0.17122%0.223CC..Hα-helixtrans-114.6-0.8-169.8-64.6-80.6000113.8L32 D33 L38 T179 A181 V196L32-F36 HydrophobicContact CD2-CD2 4.42Å; L32-F36 HydrophobicContact CD2-CE2 4.14Å; L32-F36 VanDerWaalsContact O-CD2 3.29Å; L32-F36 WeakPolarHBondContact O-CD2 3.38Å; L32-F36 PolarHBondContact O-N 3.22Å; D33-F36 PolarHBondContact O-N 2.65Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 HydrophobicContact CB-CD2 3.65Å; F36-L38 HydrophobicContact CB-CG 3.94Å; F36-L38 PolarHBondContact O-N 3.25Å; F36-T179 HydrophobicContact CE1-CG2 3.85Å; F36-T179 HydrophobicContact CZ-CG2 3.77Å; F36-A181 HydrophobicContact CE2-CB 3.76Å; F36-A181 HydrophobicContact CZ-CB 4Å; F36-V196 HydrophobicContact CB-CG1 4.26Å; F36-V196 HydrophobicContact CD1-CB 4.47Å; F36-V196 HydrophobicContact CD1-CG1 3.96Å; F36-V196 HydrophobicContact CD2-CB 4.49Å; F36-V196 HydrophobicContact CD2-CG1 4.26Å; F36-V196 HydrophobicContact CD2-CG2 3.92Å; F36-V196 HydrophobicContact CE1-CB 4.41Å; F36-V196 HydrophobicContact CE1-CG1 4.37Å; F36-V196 HydrophobicContact CE2-CB 4.46Å; F36-V196 HydrophobicContact CE2-CG2 3.82Å; F36-V196 HydrophobicContact CG-CG1 3.91Å; F36-V196 HydrophobicContact CG-CG2 4.4Å; F36-V196 HydrophobicContact CZ-CB 4.41Å; F36-V196 HydrophobicContact CZ-CG2 4.19Å
37N97Very high97.3Very high108 Ų10841.3 Ų41.358%0.57822%0.224SC*.  trans53.147.1-176.4-166.535.3000112.3D33 F39 S40D33-N37 VanDerWaalsContact O-CA 3.23Å; D33-N37 WeakPolarHBondContact O-CA 3.46Å; D33-N37 PolarHBondContact O-N 3.29Å; N37-F39 VanDerWaalsContact C-N 3.26Å; N37-F39 PolarHBondContact O-N 3.49Å; N37-S40 WeakPolarHBondContact ND2-CB 3.37Å; N37-S40 PolarHBondContact ND2-OG 2.85Å; N37-S40 PolarHBondContact O-N 2.93Å; N37-S40 WeakPolarHBondContact OD1-CB 3.3Å
38L97.5Very high97.4Very high6 Ų640.4 Ų40.43%0.03122%0.22CC..THydrogen-bonded Turntrans-64.6-28.7-168.7-64177.5000113.1L29 L32 D33 F36 V42 T153 V155 V196L29-L38 HydrophobicContact CD1-CD1 4.17Å; L32-L38 HydrophobicContact CB-CD1 3.85Å; D33-L38 HydrophobicContact CB-CB 4.24Å; D33-L38 HydrophobicContact CB-CD1 4.45Å; D33-L38 PolarHBondContact OD1-N 2.95Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 HydrophobicContact CB-CD2 3.65Å; F36-L38 HydrophobicContact CB-CG 3.94Å; F36-L38 PolarHBondContact O-N 3.25Å; L38-V42 VanDerWaalsContact O-CG2 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.4Å; L38-T153 HydrophobicContact CD2-CG2 3.89Å; L38-V155 HydrophobicContact CD1-CG2 3.97Å; L38-V155 HydrophobicContact CD2-CG2 3.98Å; L38-V196 HydrophobicContact CD2-CG1 3.96Å
39F96.6Very high97.4Very high22 Ų2240.8 Ų40.810%0.09622%0.224CC..THydrogen-bonded Turntrans-91.6-7.7-173.8-61.8-20.7000114.3L29 D33 N37 G41 V42 L59 K62 L63 L113L29-F39 HydrophobicContact CD1-CE1 4.41Å; L29-F39 HydrophobicContact CD1-CZ 4.4Å; L29-F39 HydrophobicContact CD2-CE1 4.4Å; L29-F39 HydrophobicContact CD2-CZ 4.07Å; L29-F39 HydrophobicContact CG-CE1 4.34Å; L29-F39 HydrophobicContact CG-CZ 3.9Å; D33-F39 HydrophobicContact CB-CD2 3.87Å; D33-F39 HydrophobicContact CB-CE1 4.35Å; D33-F39 HydrophobicContact CB-CE2 3.61Å; D33-F39 HydrophobicContact CB-CG 4.35Å; D33-F39 HydrophobicContact CB-CZ 3.89Å; D33-F39 VanDerWaalsContact CG-CE2 3.41Å; D33-F39 WeakPolarHBondContact OD1-CB 3.44Å; D33-F39 VanDerWaalsContact OD1-CD2 3.29Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.32Å; D33-F39 VanDerWaalsContact OD1-CG 3.25Å; D33-F39 WeakPolarHBondContact OD1-CG 3.36Å; D33-F39 PolarHBondContact OD1-N 3.29Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.48Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.29Å; N37-F39 VanDerWaalsContact C-N 3.26Å; N37-F39 PolarHBondContact O-N 3.49Å; F39-G41 PolarHBondContact O-N 3.18Å; F39-V42 PolarHBondContact O-N 3.21Å; F39-L59 HydrophobicContact CD1-CD2 4.14Å; F39-L59 HydrophobicContact CE1-CD2 3.49Å; F39-L59 VanDerWaalsContact CE1-CD2 3.49Å; F39-L59 HydrophobicContact CZ-CD2 4.1Å; F39-K62 HydrophobicContact CD2-CB 3.57Å; F39-K62 HydrophobicContact CD2-CG 4.04Å; F39-K62 HydrophobicContact CE2-CB 3.65Å; F39-K62 HydrophobicContact CE2-CG 3.75Å; F39-L63 HydrophobicContact CB-CD2 3.62Å; F39-L63 HydrophobicContact CD1-CD2 4.21Å; F39-L63 HydrophobicContact CG-CD2 3.98Å; F39-L113 HydrophobicContact CD1-CD2 3.95Å; F39-L113 HydrophobicContact CE1-CD2 4.04Å
40S93.8Very high97.3Very high77 Ų7741.1 Ų41.154%0.53823%0.227SC..THydrogen-bonded Turntrans-67.1121.8-179179.70000111.5N37 V42N37-S40 WeakPolarHBondContact ND2-CB 3.37Å; N37-S40 PolarHBondContact ND2-OG 2.85Å; N37-S40 PolarHBondContact O-N 2.93Å; N37-S40 WeakPolarHBondContact OD1-CB 3.3Å; S40-V42 PolarHBondContact O-N 2.62Å
41G92.6Very high97.2Very high68 Ų6841.2 Ų41.270%0.70123%0.232SC*.THydrogen-bonded Turntrans70.316.5179.200000114.5F39F39-G41 PolarHBondContact O-N 3.18Å
42V96.4Very high97.1Very high18 Ų1842.1 Ų42.111%0.10924%0.242CC..  trans-92.9116.4177.3174.60000109.8L38 F39 S40 A45 L63 N112 L113L38-V42 VanDerWaalsContact O-CG2 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.4Å; F39-V42 PolarHBondContact O-N 3.21Å; S40-V42 PolarHBondContact O-N 2.62Å; V42-A45 HydrophobicContact CG1-CB 4.04Å; V42-L63 HydrophobicContact CB-CD2 3.96Å; V42-L63 HydrophobicContact CG1-CD1 3.88Å; V42-L63 HydrophobicContact CG1-CD2 4.15Å; V42-N112 HydrophobicContact CB-CB 4.48Å; V42-N112 HydrophobicContact CG1-CB 4.31Å; V42-N112 HydrophobicContact CG2-CB 4.19Å; V42-L113 HydrophobicContact CG1-CB 3.79Å; V42-L113 HydrophobicContact CG1-CD2 4.33Å; V42-L113 HydrophobicContact CG2-CB 3.98Å; V42-L113 HydrophobicContact CG2-CD2 4.46Å
43N95.9Very high97Very high33 Ų3342 Ų4218%0.17624%0.242CC..  trans-115.4-14.5170.858.628.2000113.1E68 V70 K71 N112N43-E68 PolarHBondContact ND2-OE2 2.88Å; N43-V70 CarbonylContact O-C 3.57Å; N43-V70 WeakPolarHBondContact O-CA 3.34Å; N43-K71 PolarHBondContact O-N 3.35Å; N43-N112 PolarHBondContact N-OD1 3.41Å; N43-N112 PolarHBondContact OD1-OD1 3.15Å
44R97.9Very high97Very high47 Ų4741 Ų4118%0.17724%0.237CC..EExtended strand (participates in β ladder)trans-124.7115.1171.2-67.1178.6-60.6-69.9-7111.2K71 F106 P110 N112 L113R44-K71 WeakPolarHBondContact CA-O 3.24Å; R44-K71 HydrophobicContact CG-CB 4.41Å; R44-F106 HydrophobicContact CB-CD1 4.18Å; R44-F106 HydrophobicContact CB-CE1 4.05Å; R44-F106 HydrophobicContact CB-CZ 4.26Å; R44-F106 HydrophobicContact CG-CD1 3.94Å; R44-F106 HydrophobicContact CG-CE1 4.23Å; R44-F106 HydrophobicContact CG-CG 4.35Å; R44-P110 PolarHBondContact NE-O 3.39Å; R44-P110 PolarHBondContact NH2-O 3.28Å; R44-P110 VanDerWaalsContact NH2-O 3.15Å; R44-N112 PolarHBondContact N-OD1 2.96Å; R44-N112 PolarHBondContact O-N 2.96Å; R44-L113 PolarHBondContact O-N 3.44Å
45A98.5Very high97.1Very high0 Ų033.3 Ų33.30%020%0.201CC..EExtended strand (participates in β ladder)trans-125.8142.4-178.600000112.3V42 L59 L63 K71 I72 V73 L113V42-A45 HydrophobicContact CG1-CB 4.04Å; A45-L59 HydrophobicContact CB-CD1 4.2Å; A45-L59 HydrophobicContact CB-CD2 4.25Å; A45-L63 HydrophobicContact CB-CD1 3.93Å; A45-K71 PolarHBondContact N-O 3.41Å; A45-I72 WeakPolarHBondContact O-CA 3.23Å; A45-V73 PolarHBondContact O-N 2.98Å; A45-L113 CarbonylContact C-O 3.6Å; A45-L113 VanDerWaalsContact CA-O 3.28Å; A45-L113 WeakPolarHBondContact CA-O 3.28Å; A45-L113 HydrophobicContact CB-CB 4.42Å
46V98.9Very high97.1Very high0 Ų026.7 Ų26.70%017%0.17CC..EExtended strand (participates in β ladder)trans-120.2131.4175.4-1780000110L48 V73 I102 F106 A111 L113 V114 V115 I147V46-L48 HydrophobicContact CG1-CD2 3.63Å; V46-L48 HydrophobicContact CG1-CG 4.1Å; V46-V73 CarbonylContact C-O 3.58Å; V46-V73 VanDerWaalsContact CA-O 3.24Å; V46-V73 WeakPolarHBondContact CA-O 3.36Å; V46-I102 HydrophobicContact CG1-CD1 4.31Å; V46-I102 HydrophobicContact CG2-CG2 3.77Å; V46-F106 HydrophobicContact CG2-CE2 3.4Å; V46-F106 HydrophobicContact CG2-CZ 3.57Å; V46-A111 HydrophobicContact CG2-CB 3.89Å; V46-L113 PolarHBondContact N-O 3.43Å; V46-V114 HydrophobicContact CB-CG1 4.36Å; V46-V114 HydrophobicContact CB-CG2 4.14Å; V46-V114 CarbonylContact O-C 3.51Å; V46-V114 WeakPolarHBondContact O-CA 3.45Å; V46-V115 PolarHBondContact O-N 3.01Å; V46-I147 HydrophobicContact CB-CD1 4.32Å; V46-I147 HydrophobicContact CG1-CD1 4.08Å; V46-I147 HydrophobicContact CG2-CD1 4.09Å
47D98.8Very high97.1Very high1 Ų125.8 Ų25.81%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-110.7108.5172.4-172.516.1000109A50 W55 S56 L59 V73 A74 V75 V115D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.28Å; D47-W55 WeakPolarHBondContact OD2-CB 3.49Å; D47-S56 WeakPolarHBondContact CB-OG 3.34Å; D47-S56 WeakPolarHBondContact OD2-CA 3.13Å; D47-S56 WeakPolarHBondContact OD2-CB 3.27Å; D47-S56 PolarHBondContact OD2-N 2.89Å; D47-S56 PolarHBondContact OD2-OG 3.02Å; D47-L59 HydrophobicContact CB-CD1 4.18Å; D47-V73 PolarHBondContact N-O 3.41Å; D47-A74 HydrophobicContact CB-CB 4.32Å; D47-A74 CarbonylContact O-C 3.58Å; D47-A74 WeakPolarHBondContact O-CA 3.35Å; D47-V75 PolarHBondContact O-N 3.2Å; D47-V115 HydrophobicContact CB-CG2 3.98Å
48L98.7Very high97.1Very high0 Ų020.7 Ų20.70%014%0.139CC..EExtended strand (participates in β ladder)trans-92.7143.8179.6-58176.4000110.4V46 A50 V75 I93 V114 V115 C116 A140 I143V46-L48 HydrophobicContact CG1-CD2 3.63Å; V46-L48 HydrophobicContact CG1-CG 4.1Å; L48-A50 PolarHBondContact O-N 3.25Å; L48-V75 CarbonylContact C-O 3.46Å; L48-V75 HydrophobicContact CD2-CB 4.24Å; L48-V75 HydrophobicContact CD2-CG2 4.27Å; L48-I93 HydrophobicContact CB-CG2 4.5Å; L48-I93 HydrophobicContact CD2-CG2 4.01Å; L48-V114 HydrophobicContact CD1-CG1 3.63Å; L48-V114 HydrophobicContact CG-CG1 3.95Å; L48-V115 PolarHBondContact N-O 2.98Å; L48-C116 HydrophobicContact CB-CB 4.08Å; L48-C116 WeakPolarHBondContact O-CA 3.41Å; L48-A140 HydrophobicContact CD1-CB 4.06Å; L48-I143 HydrophobicContact CD1-CG2 3.57Å; L48-I143 HydrophobicContact CD2-CG2 4.22Å
49C97.7Very high97.2Very high24 Ų2420.4 Ų20.416%0.16214%0.138CC..SBendtrans5246.7-174.5-54.70000111A51 V75 D76C49-A51 PolarHBondContact O-N 3.45Å; C49-V75 WeakPolarHBondContact CA-O 3.49Å; C49-V75 PolarHBondContact N-O 2.8Å; C49-D76 VanDerWaalsContact CA-OD2 3.23Å; C49-D76 WeakPolarHBondContact CA-OD2 3.32Å
50A97.8Very high97.2Very high6 Ų619.9 Ų19.95%0.0514%0.137CC..  trans-74.1-21.1-163.700000114.4D47 L48 G53 A74 V75 D76 M80D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.28Å; L48-A50 PolarHBondContact O-N 3.25Å; A50-G53 WeakPolarHBondContact O-CA 3.46Å; A50-G53 PolarHBondContact O-N 2.75Å; A50-A74 HydrophobicContact CB-CB 3.93Å; A50-V75 PolarHBondContact N-O 3.21Å; A50-V75 VanDerWaalsContact N-O 3.07Å; A50-D76 PolarHBondContact N-OD2 2.95Å; A50-M80 HydrophobicContact CB-CE 3.75Å; A50-M80 HydrophobicContact CB-SD 3.74Å
51A95.3Very high97.3Very high32 Ų3222 Ų2226%0.26413%0.133SC..THydrogen-bonded Turntrans-58.7133-170.700000111.5C49 D76 Q78 M80C49-A51 PolarHBondContact O-N 3.45Å; A51-D76 HydrophobicContact CB-CB 4.01Å; A51-D76 VanDerWaalsContact CB-OD2 3.28Å; A51-D76 WeakPolarHBondContact CB-OD2 3.25Å; A51-D76 PolarHBondContact N-OD2 2.89Å; A51-Q78 HydrophobicContact CB-CB 4.08Å; A51-M80 VanDerWaalsContact CA-SD 3.58Å; A51-M80 HydrophobicContact CB-CG 3.87Å; A51-M80 HydrophobicContact CB-SD 4.26Å
52P96.3Very high97.4Very high72 Ų7224.5 Ų24.547%0.46812%0.124SC..THydrogen-bonded Turncis-88.810.68.736.4-38000115.3R22 A23R22-P52 WeakPolarHBondContact CD-O 3.46Å; R22-P52 PolarHBondContact NH1-O 3.41Å; A23-P52 HydrophobicContact CB-CG 4.45Å
53G96.7Very high97.3Very high0 Ų024.4 Ų24.40%012%0.123CC..THydrogen-bonded Turntrans101.724.3174.200000114.4A50 Q57 L83A50-G53 WeakPolarHBondContact O-CA 3.46Å; A50-G53 PolarHBondContact O-N 2.75Å; G53-Q57 VanDerWaalsContact O-CB 3.3Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.29Å; G53-L83 WeakPolarHBondContact O-CD1 3.48Å
54S97.4Very high96.8Very high5 Ų528.9 Ų28.94%0.03514%0.138CC..Hα-helixtrans-71.4-33.6-17769.20000113.7S25 A58S25-S54 PolarHBondContact OG-OG 2.87Å; S54-A58 PolarHBondContact O-N 2.88Å
55W98.6Very high95.7Very high2 Ų230.7 Ų30.71%0.00817%0.171CC..Hα-helixtrans-76.2-44.4175-81.326.2000110.8S25 K28 L29 L32 D47 Q57 A58 L59 V115 D117 V155 F194S25-W55 PolarHBondContact O-NE1 3.14Å; K28-W55 HydrophobicContact CB-CZ2 4.22Å; L29-W55 HydrophobicContact CB-CD2 3.84Å; L29-W55 HydrophobicContact CB-CE3 4.47Å; L29-W55 HydrophobicContact CB-CG 4.03Å; L29-W55 HydrophobicContact CB-CZ2 4.09Å; L29-W55 HydrophobicContact CD1-CD2 4.47Å; L29-W55 HydrophobicContact CD1-CE3 4.28Å; L29-W55 HydrophobicContact CD1-CZ3 4.31Å; L29-W55 HydrophobicContact CD2-CB 3.88Å; L29-W55 HydrophobicContact CD2-CD2 3.95Å; L29-W55 HydrophobicContact CD2-CE3 4.19Å; L29-W55 HydrophobicContact CD2-CG 3.86Å; L29-W55 HydrophobicContact CG-CD2 4.3Å; L32-W55 HydrophobicContact CD1-CH2 4.43Å; D47-W55 WeakPolarHBondContact OD2-CB 3.49Å; W55-Q57 PolarHBondContact O-N 2.94Å; W55-A58 CarbonylContact O-C 3.56Å; W55-A58 WeakPolarHBondContact O-CA 3.43Å; W55-A58 WeakPolarHBondContact O-CB 3.36Å; W55-A58 PolarHBondContact O-N 3.31Å; W55-L59 WeakPolarHBondContact O-CG 3.36Å; W55-L59 PolarHBondContact O-N 3.38Å; W55-V115 HydrophobicContact CE3-CB 3.65Å; W55-V115 HydrophobicContact CE3-CG2 3.7Å; W55-V115 HydrophobicContact CZ3-CB 3.74Å; W55-V115 HydrophobicContact CZ3-CG2 4.32Å; W55-D117 HydrophobicContact CD2-CB 3.72Å; W55-D117 HydrophobicContact CE3-CB 3.92Å; W55-D117 HydrophobicContact CG-CB 4.31Å; W55-D117 HydrophobicContact CH2-CB 4.06Å; W55-D117 HydrophobicContact CZ2-CB 3.81Å; W55-D117 HydrophobicContact CZ3-CB 4.09Å; W55-V155 HydrophobicContact CH2-CG1 4.35Å; W55-V155 HydrophobicContact CZ3-CG1 4.46Å; W55-F194 AromaticContact CH2-CD1 3.71Å; W55-F194 HydrophobicContact CH2-CD1 3.71Å; W55-F194 AromaticContact CH2-CE1 3.47Å; W55-F194 HydrophobicContact CH2-CE1 3.47Å; W55-F194 VanDerWaalsContact CH2-CE1 3.47Å; W55-F194 HydrophobicContact CH2-CZ 4.49Å; W55-F194 HydrophobicContact CZ2-CD1 4.14Å; W55-F194 AromaticContact CZ2-CE1 3.51Å; W55-F194 HydrophobicContact CZ2-CE1 3.51Å; W55-F194 HydrophobicContact CZ2-CZ 4.14Å
56S98.6Very high94.4Very high0 Ų033.6 Ų33.60%020%0.201CC..Hα-helixtrans-50.1-42.5167.9-65.20000113D47 S60 A74D47-S56 WeakPolarHBondContact CB-OG 3.34Å; D47-S56 WeakPolarHBondContact OD2-CA 3.13Å; D47-S56 WeakPolarHBondContact OD2-CB 3.27Å; D47-S56 PolarHBondContact OD2-N 2.89Å; D47-S56 PolarHBondContact OD2-OG 3.02Å; S56-S60 WeakPolarHBondContact O-CB 3.37Å; S56-S60 PolarHBondContact O-N 3.2Å; S56-A74 WeakPolarHBondContact OG-CB 3.41Å
57Q98.2Very high93Very high21 Ų2143.5 Ų43.510%0.09825%0.247CC..Hα-helixtrans-65.8-40.8176-171-176.922.100111.9G20 W21 G53 W55 R61 L83G20-Q57 PolarHBondContact O-NE2 2.95Å; W21-Q57 VanDerWaalsContact CA-OE1 3.32Å; W21-Q57 HydrophobicContact CE3-CB 4.35Å; W21-Q57 HydrophobicContact CE3-CG 3.88Å; W21-Q57 HydrophobicContact CZ3-CB 4.34Å; W21-Q57 HydrophobicContact CZ3-CG 3.88Å; G53-Q57 VanDerWaalsContact O-CB 3.3Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.29Å; W55-Q57 PolarHBondContact O-N 2.94Å; Q57-R61 WeakPolarHBondContact O-CG 3.44Å; Q57-R61 PolarHBondContact O-N 3.02Å; Q57-L83 HydrophobicContact CB-CD1 4.36Å; Q57-L83 HydrophobicContact CB-CD2 4.06Å; Q57-L83 HydrophobicContact CG-CD2 4.15Å
58A98Very high92.2Very high0 Ų049.7 Ų49.70%028%0.276CS..Hα-helixtrans-65-45.6176.500000111.4W21 L29 L30 S54 W55 S60 R61 K62W21-A58 HydrophobicContact CH2-CB 4.38Å; W21-A58 HydrophobicContact CZ3-CB 4.06Å; L29-A58 HydrophobicContact CD2-CB 4.26Å; L30-A58 HydrophobicContact CD2-CB 4.21Å; L30-A58 HydrophobicContact CG-CB 4.38Å; S54-A58 PolarHBondContact O-N 2.88Å; W55-A58 CarbonylContact O-C 3.56Å; W55-A58 WeakPolarHBondContact O-CA 3.43Å; W55-A58 WeakPolarHBondContact O-CB 3.36Å; W55-A58 PolarHBondContact O-N 3.31Å; A58-S60 PolarHBondContact O-N 3.35Å; A58-R61 PolarHBondContact O-N 3.07Å; A58-K62 VanDerWaalsContact O-CB 3.29Å; A58-K62 WeakPolarHBondContact O-CB 3.49Å; A58-K62 VanDerWaalsContact O-CG 3.31Å; A58-K62 WeakPolarHBondContact O-CG 3.44Å; A58-K62 PolarHBondContact O-N 2.91Å
59L98.1Very high91.8Very high0 Ų056.6 Ų56.60%031%0.309CS..Hα-helixtrans-56.1-51.2173.5-68.5171.2000111L29 F39 A45 D47 W55 R61 K62 L63 I72 L113 V115L29-L59 HydrophobicContact CD2-CD2 4.25Å; L29-L59 HydrophobicContact CD2-CG 4.14Å; F39-L59 HydrophobicContact CD1-CD2 4.14Å; F39-L59 HydrophobicContact CE1-CD2 3.49Å; F39-L59 VanDerWaalsContact CE1-CD2 3.49Å; F39-L59 HydrophobicContact CZ-CD2 4.1Å; A45-L59 HydrophobicContact CB-CD1 4.2Å; A45-L59 HydrophobicContact CB-CD2 4.25Å; D47-L59 HydrophobicContact CB-CD1 4.18Å; W55-L59 WeakPolarHBondContact O-CG 3.36Å; W55-L59 PolarHBondContact O-N 3.38Å; L59-R61 PolarHBondContact O-N 2.77Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-L63 HydrophobicContact CB-CD1 4.28Å; L59-L63 HydrophobicContact CD2-CD1 4.02Å; L59-L63 WeakPolarHBondContact O-CB 3.47Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.76Å; L59-I72 HydrophobicContact CB-CD1 3.99Å; L59-I72 HydrophobicContact CB-CG2 4.35Å; L59-I72 HydrophobicContact CD1-CG2 4.25Å; L59-L113 HydrophobicContact CD2-CD2 3.93Å; L59-V115 HydrophobicContact CD1-CG2 3.96Å
60S97Very high91.7Very high11 Ų1156.9 Ų56.98%0.07731%0.309CS..Hα-helixtrans-59.7-42.51801750000112.6S56 A58 R64 I72 P84S56-S60 WeakPolarHBondContact O-CB 3.37Å; S56-S60 PolarHBondContact O-N 3.2Å; A58-S60 PolarHBondContact O-N 3.35Å; S60-R64 WeakPolarHBondContact O-CB 3.48Å; S60-R64 VanDerWaalsContact O-CD 3.24Å; S60-R64 WeakPolarHBondContact O-CD 3.43Å; S60-R64 WeakPolarHBondContact O-CG 3.38Å; S60-R64 PolarHBondContact O-N 3.02Å; S60-R64 WeakPolarHBondContact OG-CD 3.4Å; S60-I72 VanDerWaalsContact CA-CD1 3.47Å; S60-P84 PolarHBondContact OG-O 3.18Å
61R95.9Very high91.7Very high121 Ų12158.3 Ų58.346%0.45732%0.315SS..Hα-helixtrans-73.1-25.5179-72.5-172.8-175.9176.2-3.1113.9E19 G20 W21 Q57 A58 L59E19-R61 PolarHBondContact O-NH1 2.8Å; G20-R61 PolarHBondContact O-NH2 2.8Å; W21-R61 HydrophobicContact CH2-CB 4.26Å; W21-R61 VanDerWaalsContact CH2-CD 3.49Å; W21-R61 HydrophobicContact CH2-CG 4.38Å; W21-R61 HydrophobicContact CZ3-CG 4.43Å; Q57-R61 WeakPolarHBondContact O-CG 3.44Å; Q57-R61 PolarHBondContact O-N 3.02Å; A58-R61 PolarHBondContact O-N 3.07Å; L59-R61 PolarHBondContact O-N 2.77Å
62K95.8Very high91.8Very high121 Ų12157 Ų5753%0.52630%0.303SS..Hα-helixtrans-97.9-36.3-172.8-73-67.3-167.5177.40114.1L30 F39 A58 L59L30-K62 HydrophobicContact CD2-CD 4.32Å; L30-K62 HydrophobicContact CD2-CG 3.88Å; F39-K62 HydrophobicContact CD2-CB 3.57Å; F39-K62 HydrophobicContact CD2-CG 4.04Å; F39-K62 HydrophobicContact CE2-CB 3.65Å; F39-K62 HydrophobicContact CE2-CG 3.75Å; A58-K62 VanDerWaalsContact O-CB 3.29Å; A58-K62 WeakPolarHBondContact O-CB 3.49Å; A58-K62 VanDerWaalsContact O-CG 3.31Å; A58-K62 WeakPolarHBondContact O-CG 3.44Å; A58-K62 PolarHBondContact O-N 2.91Å; L59-K62 PolarHBondContact O-N 2.8Å
63L94.3Very high91.9Very high17 Ų1753.6 Ų53.69%0.08928%0.281CS..Hα-helixtrans-84.9-29.9-178.9-61176000111.9F39 V42 A45 L59 V70 I72F39-L63 HydrophobicContact CB-CD2 3.62Å; F39-L63 HydrophobicContact CD1-CD2 4.21Å; F39-L63 HydrophobicContact CG-CD2 3.98Å; V42-L63 HydrophobicContact CB-CD2 3.96Å; V42-L63 HydrophobicContact CG1-CD1 3.88Å; V42-L63 HydrophobicContact CG1-CD2 4.15Å; A45-L63 HydrophobicContact CB-CD1 3.93Å; L59-L63 HydrophobicContact CB-CD1 4.28Å; L59-L63 HydrophobicContact CD2-CD1 4.02Å; L59-L63 WeakPolarHBondContact O-CB 3.47Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.76Å; L63-V70 HydrophobicContact CB-CG1 3.7Å; L63-V70 HydrophobicContact CB-CG2 4.31Å; L63-V70 HydrophobicContact CD1-CG1 4.24Å; L63-V70 WeakPolarHBondContact O-CG2 3.45Å; L63-I72 HydrophobicContact CD1-CD1 4.39Å
64R85.1Confident92Very high127 Ų12753.6 Ų53.648%0.47928%0.281SS..THydrogen-bonded Turntrans-79.2139.7-179-59.1178.269.2-161.3-2110.8S60 P84S60-R64 WeakPolarHBondContact O-CB 3.48Å; S60-R64 VanDerWaalsContact O-CD 3.24Å; S60-R64 WeakPolarHBondContact O-CD 3.43Å; S60-R64 WeakPolarHBondContact O-CG 3.38Å; S60-R64 PolarHBondContact O-N 3.02Å; S60-R64 WeakPolarHBondContact OG-CD 3.4Å; R64-P84 PolarHBondContact NH1-O 3.13Å; R64-P84 VanDerWaalsContact NH1-O 3.14Å
65G73.2Confident92.1Very high85 Ų8553.3 Ų53.388%0.87628%0.279SS*.THydrogen-bonded Turntrans120.4-4178.600000114.7
66G71.8Confident92.1Very high61 Ų6154.1 Ų54.163%0.62928%0.283SS*.SBendtrans-84.6178.3167.800000113.2E68G66-E68 VanDerWaalsContact C-N 3.35Å
67E70.9Confident91.9Very high207 Ų20759.6 Ų59.697%0.96731%0.312SS*.SBendtrans-73.4-25.8178-63.2-176.2166.600112.9
68E80.8Confident91.7Very high131 Ų13165.2 Ų65.261%0.61234%0.338SS*.SBendtrans-83.2144.8-179.3-66-169.7-17900112.9N43 G66 V70N43-E68 PolarHBondContact ND2-OE2 2.88Å; G66-E68 VanDerWaalsContact C-N 3.35Å; E68-V70 PolarHBondContact O-N 2.87Å
69E90Very high91.5Very high146 Ų14668.9 Ų68.968%0.68237%0.369SS*.PPolyproline II helixtrans-69121.3172.7-171.8-176.4-176.900110.5
70V95.7Very high91.4Very high30 Ų3070.1 Ų70.118%0.18238%0.375CS..PPolyproline II helixtrans-102.5127.8178.7176.70000110.6N43 L63 E68 I72N43-V70 CarbonylContact O-C 3.57Å; N43-V70 WeakPolarHBondContact O-CA 3.34Å; L63-V70 HydrophobicContact CB-CG1 3.7Å; L63-V70 HydrophobicContact CB-CG2 4.31Å; L63-V70 HydrophobicContact CD1-CG1 4.24Å; L63-V70 WeakPolarHBondContact O-CG2 3.45Å; E68-V70 PolarHBondContact O-N 2.87Å; V70-I72 HydrophobicContact CG1-CD1 4.13Å; V70-I72 HydrophobicContact CG1-CG1 3.91Å
71K97.5Very high91.3Very high36 Ų3672.5 Ų72.516%0.15740%0.395CS..EExtended strand (participates in β ladder)trans-113.1124.6175.5-60.9-177.7-178.4179.60110.1N43 R44 A45 F106 E107N43-K71 PolarHBondContact O-N 3.35Å; R44-K71 WeakPolarHBondContact CA-O 3.24Å; R44-K71 HydrophobicContact CG-CB 4.41Å; A45-K71 PolarHBondContact N-O 3.41Å; K71-F106 HydrophobicContact CB-CD1 3.82Å; K71-F106 HydrophobicContact CB-CE1 3.8Å; K71-F106 HydrophobicContact CD-CD1 4.48Å; K71-E107 IonicContact NZ-OE1 2.86Å; K71-E107 PolarHBondContact NZ-OE1 2.95Å; K71-E107 IonicContact NZ-OE2 3.2Å; K71-E107 PolarHBondContact NZ-OE2 3.19Å
72I98.5Very high91.3Very high3 Ų372.1 Ų72.12%0.01541%0.409CS..EExtended strand (participates in β ladder)trans-123.8126.6179.5-55.8167.5000108.4A45 L59 S60 L63 V70 V86 T87A45-I72 WeakPolarHBondContact O-CA 3.23Å; L59-I72 HydrophobicContact CB-CD1 3.99Å; L59-I72 HydrophobicContact CB-CG2 4.35Å; L59-I72 HydrophobicContact CD1-CG2 4.25Å; S60-I72 VanDerWaalsContact CA-CD1 3.47Å; L63-I72 HydrophobicContact CD1-CD1 4.39Å; V70-I72 HydrophobicContact CG1-CD1 4.13Å; V70-I72 HydrophobicContact CG1-CG1 3.91Å; I72-V86 HydrophobicContact CB-CG2 4.29Å; I72-V86 HydrophobicContact CG2-CG1 4.11Å; I72-V86 HydrophobicContact CG2-CG2 4.11Å; I72-T87 PolarHBondContact O-N 2.72Å
73V98.8Very high91.3Very high1 Ų167.2 Ų67.21%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-116.6127.8175.8178.20000109.1A45 V46 D47 V75 T87 I89 I102 H105 F106A45-V73 PolarHBondContact O-N 2.98Å; V46-V73 CarbonylContact C-O 3.58Å; V46-V73 VanDerWaalsContact CA-O 3.24Å; V46-V73 WeakPolarHBondContact CA-O 3.36Å; D47-V73 PolarHBondContact N-O 3.41Å; V73-V75 HydrophobicContact CG1-CG2 4.16Å; V73-T87 CarbonylContact C-O 3.59Å; V73-T87 WeakPolarHBondContact CA-O 3.26Å; V73-I89 HydrophobicContact CG1-CD1 3.44Å; V73-I89 VanDerWaalsContact CG1-CD1 3.44Å; V73-I89 HydrophobicContact CG1-CG1 4.05Å; V73-I102 HydrophobicContact CG1-CG1 4.05Å; V73-H105 HydrophobicContact CG2-CB 3.76Å; V73-F106 HydrophobicContact CB-CE1 4.46Å; V73-F106 HydrophobicContact CB-CZ 4.07Å; V73-F106 HydrophobicContact CG2-CD1 4.37Å; V73-F106 HydrophobicContact CG2-CE1 3.66Å; V73-F106 HydrophobicContact CG2-CE2 4.46Å; V73-F106 HydrophobicContact CG2-CZ 3.71Å
74A98.8Very high91.3Very high0 Ų070.8 Ų70.80%041%0.412CS..EExtended strand (participates in β ladder)trans-115.4130.4177.100000109.8D47 A50 S56 M80 V86 T87 Q88 I89D47-A74 HydrophobicContact CB-CB 4.32Å; D47-A74 CarbonylContact O-C 3.58Å; D47-A74 WeakPolarHBondContact O-CA 3.35Å; A50-A74 HydrophobicContact CB-CB 3.93Å; S56-A74 WeakPolarHBondContact OG-CB 3.41Å; A74-M80 HydrophobicContact CB-CE 3.73Å; A74-V86 HydrophobicContact CB-CG1 3.68Å; A74-T87 PolarHBondContact N-O 2.95Å; A74-Q88 HydrophobicContact CB-CG 4.49Å; A74-Q88 CarbonylContact O-C 3.43Å; A74-Q88 WeakPolarHBondContact O-CA 3.44Å; A74-I89 PolarHBondContact O-N 3.25Å
75V98.7Very high91.8Very high0 Ų066.7 Ų66.70%041%0.409CS..EExtended strand (participates in β ladder)trans-122.1128.6-174.9-171.80000109.6D47 L48 C49 A50 V73 I89 I93 T98 I102D47-V75 PolarHBondContact O-N 3.2Å; L48-V75 CarbonylContact C-O 3.46Å; L48-V75 HydrophobicContact CD2-CB 4.24Å; L48-V75 HydrophobicContact CD2-CG2 4.27Å; C49-V75 WeakPolarHBondContact CA-O 3.49Å; C49-V75 PolarHBondContact N-O 2.8Å; A50-V75 PolarHBondContact N-O 3.21Å; A50-V75 VanDerWaalsContact N-O 3.07Å; V73-V75 HydrophobicContact CG1-CG2 4.16Å; V75-I89 WeakPolarHBondContact CA-O 3.37Å; V75-I89 HydrophobicContact CG2-CB 4.3Å; V75-I89 HydrophobicContact CG2-CD1 4.36Å; V75-I93 HydrophobicContact CG1-CG2 3.95Å; V75-T98 HydrophobicContact CG1-CG2 3.65Å; V75-I102 HydrophobicContact CG2-CD1 3.9Å; V75-I102 HydrophobicContact CG2-CG1 4.02Å
76D98.3Very high93Very high18 Ų1863.4 Ų63.410%0.09637%0.372CS..EExtended strand (participates in β ladder)trans-152.7155.7171-157.7-76000110.8C49 A50 A51 Q78 M80 I89 Q90 G91C49-D76 VanDerWaalsContact CA-OD2 3.23Å; C49-D76 WeakPolarHBondContact CA-OD2 3.32Å; A50-D76 PolarHBondContact N-OD2 2.95Å; A51-D76 HydrophobicContact CB-CB 4.01Å; A51-D76 VanDerWaalsContact CB-OD2 3.28Å; A51-D76 WeakPolarHBondContact CB-OD2 3.25Å; A51-D76 PolarHBondContact N-OD2 2.89Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.34Å; D76-Q78 PolarHBondContact OD1-N 2.81Å; D76-M80 HydrophobicContact CB-CE 4.39Å; D76-I89 PolarHBondContact N-O 3.5Å; D76-Q90 CarbonylContact O-C 3.51Å; D76-Q90 VanDerWaalsContact O-CA 3.25Å; D76-Q90 WeakPolarHBondContact O-CA 3.15Å; D76-G91 CarbonylContact C-O 3.34Å; D76-G91 PolarHBondContact O-N 2.87Å
77L94.8Very high94.2Very high115 Ų11563.2 Ų63.260%0.60236%0.359SS*.SBendtrans-67.4-31.3170.4-71.2172.9000111.4Q90 G91 D92L77-Q90 WeakPolarHBondContact O-CG 3.29Å; L77-Q90 PolarHBondContact O-NE2 2.63Å; L77-G91 PolarHBondContact N-O 3.37Å; L77-D92 HydrophobicContact CD2-CB 3.74Å
78Q94.7Very high95.5Very high139 Ų13956.1 Ų56.165%0.6533%0.326SS*.SBendtrans-88.5140.5179-56.9-175.220.900111.2A51 D76 M80A51-Q78 HydrophobicContact CB-CB 4.08Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.34Å; D76-Q78 PolarHBondContact OD1-N 2.81Å; Q78-M80 PolarHBondContact O-N 3.18Å
79A93.6Very high96.4Very high78 Ų7850.1 Ų50.165%0.64530%0.298SS*.  trans-63.2137.2170.700000110.8
80M95.2Very high96.8Very high25 Ų2549.8 Ų49.812%0.12330%0.296CS..  trans-110.9150.3175.3-69.1-174.6-7400110.6A50 A51 A74 D76 Q78 Q88A50-M80 HydrophobicContact CB-CE 3.75Å; A50-M80 HydrophobicContact CB-SD 3.74Å; A51-M80 VanDerWaalsContact CA-SD 3.58Å; A51-M80 HydrophobicContact CB-CG 3.87Å; A51-M80 HydrophobicContact CB-SD 4.26Å; A74-M80 HydrophobicContact CB-CE 3.73Å; D76-M80 HydrophobicContact CB-CE 4.39Å; Q78-M80 PolarHBondContact O-N 3.18Å; M80-Q88 HydrophobicContact CE-CB 4.44Å; M80-Q88 HydrophobicContact CE-CG 4.18Å; M80-Q88 PolarHBondContact O-OE1 3.45Å
81A94.8Very high96.8Very high61 Ų6148.8 Ų48.850%0.50429%0.292SS..  trans-63.5143.5167.900000109.9R22 Q88R22-A81 VanDerWaalsContact CZ-O 3.24Å; R22-A81 PolarHBondContact NH1-O 3.27Å; R22-A81 PolarHBondContact NH2-O 3.3Å; A81-Q88 PolarHBondContact O-NE2 3.12Å; A81-Q88 PolarHBondContact O-OE1 3.1Å
82P96.6Very high96.6Very high114 Ų11449.2 Ų49.274%0.7430%0.296SS*.  trans-55.1143.8-179.3-27.835000113.5R22R22-P82 PolarHBondContact NH2-O 2.84Å
83L95.6Very high96.4Very high18 Ų1849.5 Ų49.59%0.09430%0.298CS..BIsolated β-bridgetrans-123.8134.8175.9-78.5169.3000109.6R22 G53 Q57 G85 V86R22-L83 VanDerWaalsContact CZ-CD2 3.43Å; R22-L83 VanDerWaalsContact NH2-CD2 3.29Å; G53-L83 WeakPolarHBondContact O-CD1 3.48Å; Q57-L83 HydrophobicContact CB-CD1 4.36Å; Q57-L83 HydrophobicContact CB-CD2 4.06Å; Q57-L83 HydrophobicContact CG-CD2 4.15Å; L83-G85 PolarHBondContact O-N 3.05Å; L83-V86 HydrophobicContact CB-CB 3.86Å; L83-V86 HydrophobicContact CB-CG2 3.85Å; L83-V86 PolarHBondContact O-N 3.17Å
84P94.9Very high96.1Very high92 Ų9252.3 Ų52.360%0.59732%0.315SS*.THydrogen-bonded Turntrans-58.1128.8178.3-25.234.4000112S60 R64 V86S60-P84 PolarHBondContact OG-O 3.18Å; R64-P84 PolarHBondContact NH1-O 3.13Å; R64-P84 VanDerWaalsContact NH1-O 3.14Å; P84-V86 PolarHBondContact O-N 3.33Å
85G94.7Very high95.6Very high40 Ų4057.6 Ų57.641%0.41234%0.338SS..THydrogen-bonded Turntrans68.320.4177.200000114.6L83L83-G85 PolarHBondContact O-N 3.05Å
86V98.1Very high95.1Very high16 Ų1659.9 Ų59.910%0.09735%0.352CS..BIsolated β-bridgetrans-124121.6174.9-178.80000108.6I72 A74 L83 P84 Q88I72-V86 HydrophobicContact CB-CG2 4.29Å; I72-V86 HydrophobicContact CG2-CG1 4.11Å; I72-V86 HydrophobicContact CG2-CG2 4.11Å; A74-V86 HydrophobicContact CB-CG1 3.68Å; L83-V86 HydrophobicContact CB-CB 3.86Å; L83-V86 HydrophobicContact CB-CG2 3.85Å; L83-V86 PolarHBondContact O-N 3.17Å; P84-V86 PolarHBondContact O-N 3.33Å; V86-Q88 HydrophobicContact CG1-CG 4.21Å
87T98.3Very high94.9Very high57 Ų5762 Ų6235%0.3537%0.368SS..EExtended strand (participates in β ladder)trans-78.9130.5167.4-61.90000108.7I72 V73 A74 H105I72-T87 PolarHBondContact O-N 2.72Å; V73-T87 CarbonylContact C-O 3.59Å; V73-T87 WeakPolarHBondContact CA-O 3.26Å; A74-T87 PolarHBondContact N-O 2.95Å; T87-H105 VanDerWaalsContact CG2-CE1 3.49Å; T87-H105 WeakPolarHBondContact CG2-CE1 3.29Å
88Q98.4Very high95Very high58 Ų5856.8 Ų56.827%0.27134%0.341SS..EExtended strand (participates in β ladder)trans-113.9121.6-177.2-63.7175.7-15.800109.5A74 M80 A81 V86A74-Q88 HydrophobicContact CB-CG 4.49Å; A74-Q88 CarbonylContact O-C 3.43Å; A74-Q88 WeakPolarHBondContact O-CA 3.44Å; M80-Q88 HydrophobicContact CE-CB 4.44Å; M80-Q88 HydrophobicContact CE-CG 4.18Å; M80-Q88 PolarHBondContact O-OE1 3.45Å; A81-Q88 PolarHBondContact O-NE2 3.12Å; A81-Q88 PolarHBondContact O-OE1 3.1Å; V86-Q88 HydrophobicContact CG1-CG 4.21Å
89I98.3Very high95Very high5 Ų550.3 Ų50.33%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-106.2121.9174.8-59.7169.8000107.2V73 A74 V75 D76 G91 E101 I102V73-I89 HydrophobicContact CG1-CD1 3.44Å; V73-I89 VanDerWaalsContact CG1-CD1 3.44Å; V73-I89 HydrophobicContact CG1-CG1 4.05Å; A74-I89 PolarHBondContact O-N 3.25Å; V75-I89 WeakPolarHBondContact CA-O 3.37Å; V75-I89 HydrophobicContact CG2-CB 4.3Å; V75-I89 HydrophobicContact CG2-CD1 4.36Å; D76-I89 PolarHBondContact N-O 3.5Å; I89-G91 PolarHBondContact O-N 2.87Å; I89-E101 HydrophobicContact CD1-CB 4.1Å; I89-E101 HydrophobicContact CD1-CG 3.7Å; I89-E101 HydrophobicContact CG1-CG 4.17Å; I89-E101 HydrophobicContact CG2-CG 4.48Å; I89-I102 HydrophobicContact CD1-CG1 3.92Å
90Q98.2Very high95Very high139 Ų13951.9 Ų51.965%0.6531%0.305SS*.EExtended strand (participates in β ladder)trans-85.399.7167.1-170.5-179.6-7.400108.4D76 L77D76-Q90 CarbonylContact O-C 3.51Å; D76-Q90 VanDerWaalsContact O-CA 3.25Å; D76-Q90 WeakPolarHBondContact O-CA 3.15Å; L77-Q90 WeakPolarHBondContact O-CG 3.29Å; L77-Q90 PolarHBondContact O-NE2 2.63Å
91G95.6Very high95.1Very high10 Ų1053.6 Ų53.610%0.10331%0.313CS..  trans-154.7161.4-166.500000114D76 L77 I89D76-G91 CarbonylContact C-O 3.34Å; D76-G91 PolarHBondContact O-N 2.87Å; L77-G91 PolarHBondContact N-O 3.37Å; I89-G91 PolarHBondContact O-N 2.87Å
92D93.9Very high95.3Very high44 Ų4450.7 Ų50.724%0.23529%0.289CS..  trans-98117.4177.2-176.6-16.2000109.1L77 T94 K95 T98L77-D92 HydrophobicContact CD2-CB 3.74Å; D92-T94 PolarHBondContact O-N 2.58Å; D92-T94 WeakPolarHBondContact OD1-CB 3.44Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.36Å; D92-T94 PolarHBondContact OD1-N 2.74Å; D92-T94 PolarHBondContact OD1-OG1 2.88Å; D92-T94 PolarHBondContact OD2-OG1 2.98Å; D92-K95 HydrophobicContact CB-CD 3.96Å; D92-K95 HydrophobicContact CB-CG 3.97Å; D92-K95 PolarHBondContact O-N 2.88Å; D92-T98 WeakPolarHBondContact O-CB 3.48Å; D92-T98 PolarHBondContact O-OG1 3.2Å; D92-T98 VanDerWaalsContact O-OG1 3.07Å
93I94.9Very high95.2Very high10 Ų1047.9 Ų47.95%0.05127%0.267CS..THydrogen-bonded Turntrans-64-12.8-177.764.8166.9000113.3L48 V75 K95 L136 A139 A140 I143 M210L48-I93 HydrophobicContact CB-CG2 4.5Å; L48-I93 HydrophobicContact CD2-CG2 4.01Å; V75-I93 HydrophobicContact CG1-CG2 3.95Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-L136 HydrophobicContact CD1-CD1 4.13Å; I93-A139 HydrophobicContact CD1-CB 4.03Å; I93-A139 HydrophobicContact CG1-CB 4.35Å; I93-A140 HydrophobicContact CD1-CB 4.23Å; I93-I143 HydrophobicContact CB-CD1 4.35Å; I93-I143 HydrophobicContact CB-CG2 4.28Å; I93-M210 WeakPolarHBondContact O-CE 3.26Å
94T90.9Very high95.3Very high60 Ų6055.3 Ų55.337%0.36829%0.294SS..THydrogen-bonded Turntrans-83.1-7.1175.767.90000113.1D92 A139 M210D92-T94 PolarHBondContact O-N 2.58Å; D92-T94 WeakPolarHBondContact OD1-CB 3.44Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.36Å; D92-T94 PolarHBondContact OD1-N 2.74Å; D92-T94 PolarHBondContact OD1-OG1 2.88Å; D92-T94 PolarHBondContact OD2-OG1 2.98Å; T94-A139 HydrophobicContact CG2-CB 3.99Å; T94-M210 VanDerWaalsContact O-CE 3.28Å; T94-M210 WeakPolarHBondContact O-CE 3.45Å
95K89Confident95.4Very high111 Ų11154.5 Ų54.548%0.48328%0.282SS..SBendtrans-99136.1-176.5-63-174.2-176.5179.60112.7D92 I93 S97 T98 A99D92-K95 HydrophobicContact CB-CD 3.96Å; D92-K95 HydrophobicContact CB-CG 3.97Å; D92-K95 PolarHBondContact O-N 2.88Å; I93-K95 VanDerWaalsContact C-N 3.32Å; K95-S97 PolarHBondContact O-N 3.03Å; K95-T98 WeakPolarHBondContact O-CB 3.29Å; K95-T98 PolarHBondContact O-N 2.7Å; K95-T98 VanDerWaalsContact O-N 3.09Å; K95-A99 PolarHBondContact O-N 3.3Å
96V89.4Confident95.5Very high48 Ų4852.7 Ų52.729%0.29126%0.262SS..Hα-helixtrans-55.4-38.9172.3-179.40000111.6T98 A99 Q100 M210V96-T98 PolarHBondContact O-N 3.05Å; V96-A99 WeakPolarHBondContact O-CB 3.42Å; V96-A99 PolarHBondContact O-N 2.99Å; V96-A99 VanDerWaalsContact O-N 3.12Å; V96-Q100 HydrophobicContact CG1-CG 4.21Å; V96-Q100 WeakPolarHBondContact O-CG 3.03Å; V96-Q100 PolarHBondContact O-N 3.29Å; V96-M210 HydrophobicContact CB-CG 4.4Å; V96-M210 HydrophobicContact CG2-CB 3.52Å; V96-M210 HydrophobicContact CG2-CG 3.62Å
97S93.2Very high95.3Very high63 Ų6358.9 Ų58.944%0.44129%0.291SS..Hα-helixtrans-58.1-35.8179.759.70000112.6K95 Q100 E101K95-S97 PolarHBondContact O-N 3.03Å; S97-Q100 PolarHBondContact O-N 2.94Å; S97-E101 WeakPolarHBondContact O-CB 3.22Å; S97-E101 PolarHBondContact O-N 3.37Å
98T95.9Very high95.1Very high4 Ų458.5 Ų58.53%0.02530%0.298CS..Hα-helixtrans-70.8-41.7177.9-64.50000111V75 D92 K95 V96 Q100 E101 I102 I143V75-T98 HydrophobicContact CG1-CG2 3.65Å; D92-T98 WeakPolarHBondContact O-CB 3.48Å; D92-T98 PolarHBondContact O-OG1 3.2Å; D92-T98 VanDerWaalsContact O-OG1 3.07Å; K95-T98 WeakPolarHBondContact O-CB 3.29Å; K95-T98 PolarHBondContact O-N 2.7Å; K95-T98 VanDerWaalsContact O-N 3.09Å; V96-T98 PolarHBondContact O-N 3.05Å; T98-Q100 VanDerWaalsContact C-N 3.35Å; T98-Q100 PolarHBondContact O-N 3.22Å; T98-E101 PolarHBondContact O-N 3.26Å; T98-I102 HydrophobicContact CG2-CD1 4.41Å; T98-I102 VanDerWaalsContact O-CG1 3.3Å; T98-I102 WeakPolarHBondContact O-CG1 3.41Å; T98-I102 PolarHBondContact O-N 2.84Å; T98-I143 HydrophobicContact CG2-CD1 4.05Å
99A95.3Very high94.9Very high3 Ų360.9 Ų60.93%0.02531%0.309CS..Hα-helixtrans-59.3-45.6172.700000111.8K95 V96 E101 I102 I103 I143 H146 I147K95-A99 PolarHBondContact O-N 3.3Å; V96-A99 WeakPolarHBondContact O-CB 3.42Å; V96-A99 PolarHBondContact O-N 2.99Å; V96-A99 VanDerWaalsContact O-N 3.12Å; A99-E101 VanDerWaalsContact C-N 3.33Å; A99-E101 PolarHBondContact O-N 2.89Å; A99-I102 PolarHBondContact O-N 3.35Å; A99-I103 WeakPolarHBondContact O-CG1 3.24Å; A99-I103 PolarHBondContact O-N 3.23Å; A99-I143 HydrophobicContact CB-CD1 4.2Å; A99-I143 HydrophobicContact CB-CG1 3.98Å; A99-H146 HydrophobicContact CB-CB 4.35Å; A99-I147 HydrophobicContact CB-CG2 4.35Å
100Q94.3Very high94.8Very high111 Ų11162.5 Ų62.552%0.51932%0.32SS..Hα-helixtrans-62.7-37.8177.5-70.1173-13.500112.5V96 S97 T98 I103 R104V96-Q100 HydrophobicContact CG1-CG 4.21Å; V96-Q100 WeakPolarHBondContact O-CG 3.03Å; V96-Q100 PolarHBondContact O-N 3.29Å; S97-Q100 PolarHBondContact O-N 2.94Å; T98-Q100 VanDerWaalsContact C-N 3.35Å; T98-Q100 PolarHBondContact O-N 3.22Å; Q100-I103 PolarHBondContact O-N 3.24Å; Q100-R104 WeakPolarHBondContact O-CB 3.17Å; Q100-R104 VanDerWaalsContact O-CG 3.28Å; Q100-R104 WeakPolarHBondContact O-CG 3.31Å; Q100-R104 PolarHBondContact O-N 2.79Å
101E97.5Very high94.8Very high61 Ų6155.9 Ų55.929%0.28529%0.289SS..Hα-helixtrans-65.5-42.5175.7-167.6170.7179.100112.5I89 S97 T98 A99 I103 R104 H105I89-E101 HydrophobicContact CD1-CB 4.1Å; I89-E101 HydrophobicContact CD1-CG 3.7Å; I89-E101 HydrophobicContact CG1-CG 4.17Å; I89-E101 HydrophobicContact CG2-CG 4.48Å; S97-E101 WeakPolarHBondContact O-CB 3.22Å; S97-E101 PolarHBondContact O-N 3.37Å; T98-E101 PolarHBondContact O-N 3.26Å; A99-E101 VanDerWaalsContact C-N 3.33Å; A99-E101 PolarHBondContact O-N 2.89Å; E101-I103 PolarHBondContact O-N 3.36Å; E101-R104 PolarHBondContact O-N 2.82Å; E101-H105 PolarHBondContact O-CD2 3.16Å; E101-H105 PolarHBondContact O-N 3.43Å; E101-H105 VanDerWaalsContact O-N 3.1Å
102I97.6Very high95Very high0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-58.1-50173.3-63.4163.8000110.3V46 V73 V75 I89 T98 A99 R104 H105 F106 I143 I147V46-I102 HydrophobicContact CG1-CD1 4.31Å; V46-I102 HydrophobicContact CG2-CG2 3.77Å; V73-I102 HydrophobicContact CG1-CG1 4.05Å; V75-I102 HydrophobicContact CG2-CD1 3.9Å; V75-I102 HydrophobicContact CG2-CG1 4.02Å; I89-I102 HydrophobicContact CD1-CG1 3.92Å; T98-I102 HydrophobicContact CG2-CD1 4.41Å; T98-I102 VanDerWaalsContact O-CG1 3.3Å; T98-I102 WeakPolarHBondContact O-CG1 3.41Å; T98-I102 PolarHBondContact O-N 2.84Å; A99-I102 PolarHBondContact O-N 3.35Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 3.2Å; I102-H105 PolarHBondContact O-N 3.17Å; I102-H105 VanDerWaalsContact O-N 3.13Å; I102-F106 HydrophobicContact CG2-CD2 3.9Å; I102-F106 HydrophobicContact CG2-CE2 3.51Å; I102-F106 HydrophobicContact CG2-CZ 4.35Å; I102-F106 PolarHBondContact O-N 3.3Å; I102-I143 HydrophobicContact CD1-CD1 3.79Å; I102-I143 HydrophobicContact CD1-CG1 4.46Å; I102-I147 HydrophobicContact CB-CG2 4.45Å; I102-I147 HydrophobicContact CD1-CD1 3.99Å; I102-I147 HydrophobicContact CG2-CB 4.47Å; I102-I147 HydrophobicContact CG2-CD1 4.31Å; I102-I147 HydrophobicContact CG2-CG2 4.27Å
103I95.9Very high95.2Very high55 Ų5555 Ų5528%0.28228%0.282SS..Hα-helixtrans-61.1-40-179.3-67.2165.5000111.1A99 Q100 E101 H105 F106 E107 G108 I147A99-I103 WeakPolarHBondContact O-CG1 3.24Å; A99-I103 PolarHBondContact O-N 3.23Å; Q100-I103 PolarHBondContact O-N 3.24Å; E101-I103 PolarHBondContact O-N 3.36Å; I103-H105 VanDerWaalsContact C-N 3.34Å; I103-H105 PolarHBondContact O-N 3.29Å; I103-F106 CarbonylContact O-C 3.54Å; I103-F106 PolarHBondContact O-N 3.05Å; I103-F106 VanDerWaalsContact O-N 3.12Å; I103-E107 PolarHBondContact O-N 3.39Å; I103-E107 VanDerWaalsContact O-N 3.17Å; I103-G108 PolarHBondContact O-N 3.04Å; I103-I147 HydrophobicContact CD1-CG2 4.32Å; I103-I147 HydrophobicContact CG1-CG2 4.08Å
104R97.1Very high95.4Very high174 Ų17454.5 Ų54.566%0.65728%0.279SS*.Hα-helixtrans-60.1-42.1175.2-77.9-176.7-64.9151.80.5111.9Q100 E101 I102 F106 E107Q100-R104 WeakPolarHBondContact O-CB 3.17Å; Q100-R104 VanDerWaalsContact O-CG 3.28Å; Q100-R104 WeakPolarHBondContact O-CG 3.31Å; Q100-R104 PolarHBondContact O-N 2.79Å; E101-R104 PolarHBondContact O-N 2.82Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 3.2Å; R104-F106 PolarHBondContact O-N 3.21Å; R104-E107 PolarHBondContact O-N 2.84Å
105H96.8Very high95.8Very high75 Ų7551.6 Ų51.635%0.34726%0.262SS..Hα-helixtrans-66.3-23.8176.2-80.1-62000113.9V73 T87 E101 I102 I103V73-H105 HydrophobicContact CG2-CB 3.76Å; T87-H105 VanDerWaalsContact CG2-CE1 3.49Å; T87-H105 WeakPolarHBondContact CG2-CE1 3.29Å; E101-H105 PolarHBondContact O-CD2 3.16Å; E101-H105 PolarHBondContact O-N 3.43Å; E101-H105 VanDerWaalsContact O-N 3.1Å; I102-H105 PolarHBondContact O-N 3.17Å; I102-H105 VanDerWaalsContact O-N 3.13Å; I103-H105 VanDerWaalsContact C-N 3.34Å; I103-H105 PolarHBondContact O-N 3.29Å
106F96.3Very high96.2Very high2 Ų246.5 Ų46.51%0.00924%0.24CC..THydrogen-bonded Turntrans-94.613.2172.1-62.2-34.8000113.8R44 V46 K71 V73 I102 I103 R104 G108 Q109 A111R44-F106 HydrophobicContact CB-CD1 4.18Å; R44-F106 HydrophobicContact CB-CE1 4.05Å; R44-F106 HydrophobicContact CB-CZ 4.26Å; R44-F106 HydrophobicContact CG-CD1 3.94Å; R44-F106 HydrophobicContact CG-CE1 4.23Å; R44-F106 HydrophobicContact CG-CG 4.35Å; V46-F106 HydrophobicContact CG2-CE2 3.4Å; V46-F106 HydrophobicContact CG2-CZ 3.57Å; K71-F106 HydrophobicContact CB-CD1 3.82Å; K71-F106 HydrophobicContact CB-CE1 3.8Å; K71-F106 HydrophobicContact CD-CD1 4.48Å; V73-F106 HydrophobicContact CB-CE1 4.46Å; V73-F106 HydrophobicContact CB-CZ 4.07Å; V73-F106 HydrophobicContact CG2-CD1 4.37Å; V73-F106 HydrophobicContact CG2-CE1 3.66Å; V73-F106 HydrophobicContact CG2-CE2 4.46Å; V73-F106 HydrophobicContact CG2-CZ 3.71Å; I102-F106 HydrophobicContact CG2-CD2 3.9Å; I102-F106 HydrophobicContact CG2-CE2 3.51Å; I102-F106 HydrophobicContact CG2-CZ 4.35Å; I102-F106 PolarHBondContact O-N 3.3Å; I103-F106 CarbonylContact O-C 3.54Å; I103-F106 PolarHBondContact O-N 3.05Å; I103-F106 VanDerWaalsContact O-N 3.12Å; R104-F106 PolarHBondContact O-N 3.21Å; F106-G108 PolarHBondContact O-N 3.32Å; F106-Q109 WeakPolarHBondContact CB-O 3.36Å; F106-Q109 WeakPolarHBondContact O-CB 3.49Å; F106-Q109 PolarHBondContact O-N 3.41Å; F106-A111 HydrophobicContact CE2-CB 3.91Å
107E95.3Very high96.6Very high147 Ų14745.3 Ų45.369%0.68723%0.232SC*.THydrogen-bonded Turntrans55.438.5178.4-64.3158.4-168.900112.5K71 I103 R104 Q109K71-E107 IonicContact NZ-OE1 2.86Å; K71-E107 PolarHBondContact NZ-OE1 2.95Å; K71-E107 IonicContact NZ-OE2 3.2Å; K71-E107 PolarHBondContact NZ-OE2 3.19Å; I103-E107 PolarHBondContact O-N 3.39Å; I103-E107 VanDerWaalsContact O-N 3.17Å; R104-E107 PolarHBondContact O-N 2.84Å; E107-Q109 VanDerWaalsContact C-N 3.27Å; E107-Q109 PolarHBondContact O-N 3.02Å
108G92.9Very high96.6Very high49 Ų4942.6 Ų42.651%0.50521%0.214SC..THydrogen-bonded Turntrans83.8-5.9-178.800000114.5I103 F106I103-G108 PolarHBondContact O-N 3.04Å; F106-G108 PolarHBondContact O-N 3.32Å
109Q95.7Very high96.3Very high107 Ų10744.8 Ų44.850%0.523%0.232SC..PPolyproline II helixtrans-85141.5179.5-61.2-60.6-46.500112F106 E107F106-Q109 WeakPolarHBondContact CB-O 3.36Å; F106-Q109 WeakPolarHBondContact O-CB 3.49Å; F106-Q109 PolarHBondContact O-N 3.41Å; E107-Q109 VanDerWaalsContact C-N 3.27Å; E107-Q109 PolarHBondContact O-N 3.02Å
110P96.3Very high95.7Very high40 Ų4046.1 Ų46.126%0.2624%0.24SC..PPolyproline II helixtrans-74.8153.5175.430.9-35.1000112R44 I147R44-P110 PolarHBondContact NE-O 3.39Å; R44-P110 PolarHBondContact NH2-O 3.28Å; R44-P110 VanDerWaalsContact NH2-O 3.15Å; P110-I147 CarbonylContact C-O 3.39Å; P110-I147 VanDerWaalsContact CA-O 3.29Å; P110-I147 WeakPolarHBondContact CA-O 3.36Å; P110-I147 WeakPolarHBondContact CB-O 3.34Å
111A98.2Very high95.2Very high0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-67.8149.6174.200000112.1V46 F106 V114 I147 T149V46-A111 HydrophobicContact CG2-CB 3.89Å; F106-A111 HydrophobicContact CE2-CB 3.91Å; A111-V114 HydrophobicContact CB-CG2 4.21Å; A111-I147 PolarHBondContact N-O 2.8Å; A111-T149 VanDerWaalsContact O-CG2 3.3Å; A111-T149 WeakPolarHBondContact O-CG2 3.48Å; A111-T149 PolarHBondContact O-N 2.81Å
112N98.1Very high94.3Very high34 Ų3450 Ų5018%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-87.3-32.7170.8-49.2112.5000111.8V42 N43 R44 G152 T153V42-N112 HydrophobicContact CB-CB 4.48Å; V42-N112 HydrophobicContact CG1-CB 4.31Å; V42-N112 HydrophobicContact CG2-CB 4.19Å; N43-N112 PolarHBondContact N-OD1 3.41Å; N43-N112 PolarHBondContact OD1-OD1 3.15Å; R44-N112 PolarHBondContact N-OD1 2.96Å; R44-N112 PolarHBondContact O-N 2.96Å; N112-G152 WeakPolarHBondContact O-CA 3.28Å; N112-T153 PolarHBondContact O-N 3.5Å
113L98.8Very high93.7Very high0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-134.5127.9-175.3176.863.6000110.2F39 V42 R44 A45 V46 L59 V115 T153 V155F39-L113 HydrophobicContact CD1-CD2 3.95Å; F39-L113 HydrophobicContact CE1-CD2 4.04Å; V42-L113 HydrophobicContact CG1-CB 3.79Å; V42-L113 HydrophobicContact CG1-CD2 4.33Å; V42-L113 HydrophobicContact CG2-CB 3.98Å; V42-L113 HydrophobicContact CG2-CD2 4.46Å; R44-L113 PolarHBondContact O-N 3.44Å; A45-L113 CarbonylContact C-O 3.6Å; A45-L113 VanDerWaalsContact CA-O 3.28Å; A45-L113 WeakPolarHBondContact CA-O 3.28Å; A45-L113 HydrophobicContact CB-CB 4.42Å; V46-L113 PolarHBondContact N-O 3.43Å; L59-L113 HydrophobicContact CD2-CD2 3.93Å; L113-V115 HydrophobicContact CD1-CG1 3.82Å; L113-V115 HydrophobicContact CD2-CG1 4.05Å; L113-V115 HydrophobicContact CG-CG1 3.81Å; L113-T153 WeakPolarHBondContact CA-O 3.27Å; L113-T153 HydrophobicContact CD1-CG2 3.99Å; L113-V155 HydrophobicContact CD1-CG2 4.43Å
114V98.9Very high93Very high0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-118.9129.8168.4-179.70000108.4V46 L48 A111 T144 I147 L148 T153 F154 V155V46-V114 HydrophobicContact CB-CG1 4.36Å; V46-V114 HydrophobicContact CB-CG2 4.14Å; V46-V114 CarbonylContact O-C 3.51Å; V46-V114 WeakPolarHBondContact O-CA 3.45Å; L48-V114 HydrophobicContact CD1-CG1 3.63Å; L48-V114 HydrophobicContact CG-CG1 3.95Å; A111-V114 HydrophobicContact CB-CG2 4.21Å; V114-T144 HydrophobicContact CB-CG2 4.16Å; V114-T144 HydrophobicContact CG1-CG2 4.43Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.36Å; V114-T144 HydrophobicContact CG2-CG2 4.17Å; V114-I147 HydrophobicContact CG2-CD1 4.01Å; V114-I147 HydrophobicContact CG2-CG1 4.01Å; V114-L148 HydrophobicContact CG2-CB 4.4Å; V114-L148 HydrophobicContact CG2-CD1 3.86Å; V114-T153 PolarHBondContact N-O 3.27Å; V114-F154 HydrophobicContact CB-CD2 4.02Å; V114-F154 HydrophobicContact CG1-CD2 3.93Å; V114-F154 HydrophobicContact CG1-CE2 4.17Å; V114-F154 CarbonylContact O-C 3.55Å; V114-F154 VanDerWaalsContact O-CA 3.29Å; V114-F154 WeakPolarHBondContact O-CA 3.42Å; V114-V155 PolarHBondContact O-N 3.2Å
115V98.9Very high92.4Very high0 Ų050.9 Ų50.90%030%0.302CS..EExtended strand (participates in β ladder)trans-124.7148.4179.3-56.90000110.8L29 V46 D47 L48 W55 L59 L113 V155L29-V115 HydrophobicContact CD1-CG1 4.21Å; V46-V115 PolarHBondContact O-N 3.01Å; D47-V115 HydrophobicContact CB-CG2 3.98Å; L48-V115 PolarHBondContact N-O 2.98Å; W55-V115 HydrophobicContact CE3-CB 3.65Å; W55-V115 HydrophobicContact CE3-CG2 3.7Å; W55-V115 HydrophobicContact CZ3-CB 3.74Å; W55-V115 HydrophobicContact CZ3-CG2 4.32Å; L59-V115 HydrophobicContact CD1-CG2 3.96Å; L113-V115 HydrophobicContact CD1-CG1 3.82Å; L113-V115 HydrophobicContact CD2-CG1 4.05Å; L113-V115 HydrophobicContact CG-CG1 3.81Å; V115-V155 CarbonylContact C-O 3.56Å; V115-V155 VanDerWaalsContact CA-O 3.22Å; V115-V155 WeakPolarHBondContact CA-O 3.02Å; V115-V155 HydrophobicContact CG1-CB 4.18Å
116C98.4Very high91.8Very high4 Ų452.9 Ų52.93%0.02731%0.311CS..EExtended strand (participates in β ladder)trans-147108.3179.1-1770000111.4L48 G118 A140 F154 V155 A156 K157L48-C116 HydrophobicContact CB-CB 4.08Å; L48-C116 WeakPolarHBondContact O-CA 3.41Å; C116-G118 VanDerWaalsContact C-N 3.33Å; C116-A140 HydrophobicContact CB-CB 4.41Å; C116-F154 HydrophobicContact CB-CE2 4.5Å; C116-V155 PolarHBondContact N-O 3.33Å; C116-A156 HydrophobicContact CB-CB 4.11Å; C116-A156 CarbonylContact O-C 3.49Å; C116-A156 VanDerWaalsContact O-CA 3.27Å; C116-A156 WeakPolarHBondContact O-CA 3.29Å; C116-K157 PolarHBondContact O-N 3.5Å
117D97.1Very high91.2Very high23 Ų2358.2 Ų58.212%0.12334%0.34CS..  trans-96.515.4171.3-162.837.3000112S25 W55 K157 F194S25-D117 VanDerWaalsContact CB-OD2 3.26Å; S25-D117 WeakPolarHBondContact CB-OD2 3.42Å; W55-D117 HydrophobicContact CD2-CB 3.72Å; W55-D117 HydrophobicContact CE3-CB 3.92Å; W55-D117 HydrophobicContact CG-CB 4.31Å; W55-D117 HydrophobicContact CH2-CB 4.06Å; W55-D117 HydrophobicContact CZ2-CB 3.81Å; W55-D117 HydrophobicContact CZ3-CB 4.09Å; D117-K157 PolarHBondContact O-NZ 3.26Å; D117-K157 WeakPolarHBondContact OD1-CE 3.35Å; D117-K157 IonicContact OD1-NZ 2.84Å; D117-K157 PolarHBondContact OD1-NZ 3.28Å; D117-K157 IonicContact OD2-NZ 2.99Å; D117-K157 PolarHBondContact OD2-NZ 3.19Å; D117-F194 VanDerWaalsContact OD1-CE1 3.31Å; D117-F194 WeakPolarHBondContact OD1-CE1 3.33Å; D117-F194 WeakPolarHBondContact OD1-CZ 3.44Å
118G92.8Very high90.7Very high6 Ų654.3 Ų54.36%0.06233%0.326CS..  trans-57.9137.7-179.600000112.9C116 Q133C116-G118 VanDerWaalsContact C-N 3.33Å; G118-Q133 PolarHBondContact O-NE2 3.11Å
119A89.4Confident90.4Very high49 Ų4952 Ų5241%0.40530%0.302SS..  trans-145.3144.2169.700000110.4Q133 K157 F159A119-Q133 VanDerWaalsContact CA-OE1 3.27Å; A119-K157 HydrophobicContact CB-CD 3.89Å; A119-F159 HydrophobicContact CB-CZ 4.5Å
120P84Confident90Very high31 Ų3148.2 Ų48.220%0.20128%0.284CS..PPolyproline II helixtrans-71.2167.1171.434.3-35.5000110.7V122 I132P120-V122 PolarHBondContact O-N 3.31Å; P120-I132 HydrophobicContact CB-CB 4.41Å; P120-I132 HydrophobicContact CB-CG2 3.51Å; P120-I132 HydrophobicContact CG-CB 4.13Å; P120-I132 HydrophobicContact CG-CG2 3.68Å
121D82.7Confident89.6Confident157 Ų15752.4 Ų52.484%0.8430%0.296SS*.PPolyproline II helixtrans-62.3122.1166.7-71.2-40.6000109.5T123D121-T123 PolarHBondContact O-N 3.42Å
122V80.3Confident89.1Confident96 Ų9655.6 Ų55.658%0.58231%0.312SS*.PPolyproline II helixtrans-74.9117-176.3-178.20000108.9P120 D129 F159P120-V122 PolarHBondContact O-N 3.31Å; V122-D129 VanDerWaalsContact CG1-OD2 3.23Å; V122-D129 WeakPolarHBondContact CG1-OD2 3.35Å; V122-F159 HydrophobicContact CG2-CZ 4.26Å
123T83.8Confident88.8Confident86 Ų8654.2 Ų54.253%0.52830%0.304SS..  trans-79-23.6179.566.90000112.2D121 L125 D129D121-T123 PolarHBondContact O-N 3.42Å; T123-L125 VanDerWaalsContact C-N 3.33Å; T123-L125 PolarHBondContact OG1-N 3.49Å; T123-D129 WeakPolarHBondContact CB-OD1 3.13Å; T123-D129 PolarHBondContact N-OD1 3.14Å; T123-D129 PolarHBondContact N-OD2 3.23Å; T123-D129 PolarHBondContact OG1-OD1 2.84Å
124G82.1Confident88.3Confident46 Ų4655.7 Ų55.747%0.47432%0.317SS..SBendtrans92.3-8.8-172.900000113.1H126 D129G124-H126 PolarHBondContact O-N 3.31Å; G124-D129 PolarHBondContact N-OD2 3.38Å
125L84.1Confident87.8Confident116 Ų11657.4 Ų57.461%0.60733%0.325SS*.  trans-8894.9169.4-63177.5000108.5T123 D127 V128 D129T123-L125 VanDerWaalsContact C-N 3.33Å; T123-L125 PolarHBondContact OG1-N 3.49Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 2.97Å; L125-D127 VanDerWaalsContact O-N 3.16Å; L125-V128 HydrophobicContact CB-CB 4.15Å; L125-V128 HydrophobicContact CB-CG2 4.13Å; L125-V128 HydrophobicContact CD1-CG2 4.46Å; L125-V128 PolarHBondContact O-N 3.16Å; L125-D129 PolarHBondContact O-N 3.3Å
126H84.9Confident87.5Confident117 Ų11759.4 Ų59.454%0.54234%0.336SS..Hα-helixtrans-54-39.4-170.6-66.9-39.9000114.4G124 V128 D129 E130G124-H126 PolarHBondContact O-N 3.31Å; H126-V128 VanDerWaalsContact C-N 3.34Å; H126-V128 PolarHBondContact O-N 3.24Å; H126-D129 PolarHBondContact O-N 3.11Å; H126-E130 VanDerWaalsContact O-CB 3.26Å; H126-E130 WeakPolarHBondContact O-CB 3.3Å; H126-E130 PolarHBondContact O-N 2.89Å
127D82.6Confident87.3Confident114 Ų11459.4 Ų59.461%0.6134%0.335SS*.Hα-helixtrans-65.3-38.8179.9-57.6-21.7000111.5L125 Y131L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 2.97Å; L125-D127 VanDerWaalsContact O-N 3.16Å; D127-Y131 WeakPolarHBondContact O-CB 3.48Å; D127-Y131 PolarHBondContact O-N 3.03Å; D127-Y131 VanDerWaalsContact O-N 3.12Å
128V84.9Confident87Confident65 Ų6560.1 Ų60.139%0.39434%0.339SS..Hα-helixtrans-73-44.3177.2178.20000110.7L125 H126 E130 Y131 I132L125-V128 HydrophobicContact CB-CB 4.15Å; L125-V128 HydrophobicContact CB-CG2 4.13Å; L125-V128 HydrophobicContact CD1-CG2 4.46Å; L125-V128 PolarHBondContact O-N 3.16Å; H126-V128 VanDerWaalsContact C-N 3.34Å; H126-V128 PolarHBondContact O-N 3.24Å; V128-E130 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 3.16Å; V128-Y131 PolarHBondContact O-N 3.35Å; V128-I132 HydrophobicContact CG1-CD1 3.72Å; V128-I132 HydrophobicContact CG1-CG1 4.32Å; V128-I132 WeakPolarHBondContact O-CG1 3.37Å; V128-I132 PolarHBondContact O-N 2.81Å
129D87.3Confident87Confident1 Ų160.3 Ų60.31%0.00534%0.34CS..Hα-helixtrans-62.1-40.3179-65.6-27.7000111.2V122 T123 G124 L125 H126 Q133 F159V122-D129 VanDerWaalsContact CG1-OD2 3.23Å; V122-D129 WeakPolarHBondContact CG1-OD2 3.35Å; T123-D129 WeakPolarHBondContact CB-OD1 3.13Å; T123-D129 PolarHBondContact N-OD1 3.14Å; T123-D129 PolarHBondContact N-OD2 3.23Å; T123-D129 PolarHBondContact OG1-OD1 2.84Å; G124-D129 PolarHBondContact N-OD2 3.38Å; L125-D129 PolarHBondContact O-N 3.3Å; H126-D129 PolarHBondContact O-N 3.11Å; D129-Q133 VanDerWaalsContact O-CB 3.3Å; D129-Q133 WeakPolarHBondContact O-CB 3.35Å; D129-Q133 PolarHBondContact O-N 3.03Å; D129-F159 HydrophobicContact CB-CD2 4.27Å; D129-F159 HydrophobicContact CB-CE2 4.11Å; D129-F159 WeakPolarHBondContact O-CD2 3.46Å
130E87.3Confident87.3Confident27 Ų2758 Ų5813%0.12632%0.32CS..Hα-helixtrans-63-46.8173.9-178.9173.5-167.200111.4H126 V128 Q133 A134 G161 K162 D163H126-E130 VanDerWaalsContact O-CB 3.26Å; H126-E130 WeakPolarHBondContact O-CB 3.3Å; H126-E130 PolarHBondContact O-N 2.89Å; V128-E130 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 3.16Å; E130-Q133 PolarHBondContact O-N 2.77Å; E130-A134 WeakPolarHBondContact O-CB 3.07Å; E130-A134 PolarHBondContact O-N 2.95Å; E130-G161 VanDerWaalsContact CD-CA 3.45Å; E130-G161 WeakPolarHBondContact OE1-CA 3.49Å; E130-G161 PolarHBondContact OE1-N 2.63Å; E130-G161 VanDerWaalsContact OE2-CA 3.31Å; E130-G161 WeakPolarHBondContact OE2-CA 3.3Å; E130-K162 PolarHBondContact OE1-N 3.39Å; E130-K162 PolarHBondContact OE2-N 3.17Å; E130-D163 PolarHBondContact OE1-N 3.46Å
131Y86.5Confident87.8Confident128 Ų12857.1 Ų57.150%0.50231%0.314SS..Hα-helixtrans-59.7-48.6177.6177.8-98.7000112.2D127 V128 Q133 A134 Q135D127-Y131 WeakPolarHBondContact O-CB 3.48Å; D127-Y131 PolarHBondContact O-N 3.03Å; D127-Y131 VanDerWaalsContact O-N 3.12Å; V128-Y131 PolarHBondContact O-N 3.35Å; Y131-Q133 PolarHBondContact O-N 2.82Å; Y131-A134 WeakPolarHBondContact O-CB 3.4Å; Y131-A134 PolarHBondContact O-N 2.86Å; Y131-Q135 HydrophobicContact CD1-CG 4.38Å; Y131-Q135 HydrophobicContact CE1-CG 3.96Å; Y131-Q135 WeakPolarHBondContact O-CG 3.4Å; Y131-Q135 PolarHBondContact O-N 3.36Å
132I88.8Confident88.3Confident67 Ų6750.7 Ų50.734%0.34428%0.28SS..Hα-helixtrans-65.8-39.9-179.7-62.3169.6000110.7P120 V128 A134 Q135 L136P120-I132 HydrophobicContact CB-CB 4.41Å; P120-I132 HydrophobicContact CB-CG2 3.51Å; P120-I132 HydrophobicContact CG-CB 4.13Å; P120-I132 HydrophobicContact CG-CG2 3.68Å; V128-I132 HydrophobicContact CG1-CD1 3.72Å; V128-I132 HydrophobicContact CG1-CG1 4.32Å; V128-I132 WeakPolarHBondContact O-CG1 3.37Å; V128-I132 PolarHBondContact O-N 2.81Å; I132-A134 VanDerWaalsContact C-N 3.3Å; I132-A134 PolarHBondContact O-N 2.8Å; I132-Q135 PolarHBondContact O-N 3.3Å; I132-L136 PolarHBondContact O-N 3.06Å
133Q91.3Very high89.1Confident5 Ų546.1 Ų46.12%0.02325%0.252CS..Hα-helixtrans-61.2-40.3174.2-176.966.629.200111.5G118 A119 D129 E130 Y131 L136 L137 K157 F159G118-Q133 PolarHBondContact O-NE2 3.11Å; A119-Q133 VanDerWaalsContact CA-OE1 3.27Å; D129-Q133 VanDerWaalsContact O-CB 3.3Å; D129-Q133 WeakPolarHBondContact O-CB 3.35Å; D129-Q133 PolarHBondContact O-N 3.03Å; E130-Q133 PolarHBondContact O-N 2.77Å; Y131-Q133 PolarHBondContact O-N 2.82Å; Q133-L136 PolarHBondContact O-N 3.48Å; Q133-L137 WeakPolarHBondContact O-CB 3.21Å; Q133-L137 PolarHBondContact O-N 2.89Å; Q133-K157 PolarHBondContact NE2-O 3.37Å; Q133-F159 HydrophobicContact CB-CB 4.34Å; Q133-F159 HydrophobicContact CB-CD2 3.7Å; Q133-F159 HydrophobicContact CB-CE2 4.13Å; Q133-F159 HydrophobicContact CB-CG 4.02Å; Q133-F159 HydrophobicContact CG-CB 4.22Å; Q133-F159 HydrophobicContact CG-CD1 4.18Å; Q133-F159 HydrophobicContact CG-CD2 4.06Å; Q133-F159 HydrophobicContact CG-CE2 4.48Å; Q133-F159 HydrophobicContact CG-CG 3.89Å
134A89.2Confident89.7Confident32 Ų3242 Ų4226%0.26423%0.227SC..Hα-helixtrans-64.1-40.1176.100000111.7E130 Y131 I132 L137 L138E130-A134 WeakPolarHBondContact O-CB 3.07Å; E130-A134 PolarHBondContact O-N 2.95Å; Y131-A134 WeakPolarHBondContact O-CB 3.4Å; Y131-A134 PolarHBondContact O-N 2.86Å; I132-A134 VanDerWaalsContact C-N 3.3Å; I132-A134 PolarHBondContact O-N 2.8Å; A134-L137 WeakPolarHBondContact O-CB 3.4Å; A134-L137 PolarHBondContact O-N 3.42Å; A134-L138 WeakPolarHBondContact O-CG 3.35Å; A134-L138 PolarHBondContact O-N 3.49Å
135Q88.3Confident90.4Very high35 Ų3540.2 Ų40.216%0.16421%0.207CC..Hα-helixtrans-62.4-43.8174.8-67.2-56.5-36.600112.3Y131 I132 L137 L138 A139 L214Y131-Q135 HydrophobicContact CD1-CG 4.38Å; Y131-Q135 HydrophobicContact CE1-CG 3.96Å; Y131-Q135 WeakPolarHBondContact O-CG 3.4Å; Y131-Q135 PolarHBondContact O-N 3.36Å; I132-Q135 PolarHBondContact O-N 3.3Å; Q135-L137 VanDerWaalsContact C-N 3.28Å; Q135-L137 PolarHBondContact O-N 3.03Å; Q135-L138 PolarHBondContact O-N 3.46Å; Q135-A139 PolarHBondContact O-N 3.27Å; Q135-L214 HydrophobicContact CB-CD2 4.26Å; Q135-L214 HydrophobicContact CG-CD2 3.88Å
136L92.2Very high90.8Very high43 Ų4337.1 Ų37.123%0.22519%0.189CC..Hα-helixtrans-61.1-39.9175.6-177.361.3000111.8I93 I132 Q133 A139 A140I93-L136 HydrophobicContact CD1-CD1 4.13Å; I132-L136 PolarHBondContact O-N 3.06Å; Q133-L136 PolarHBondContact O-N 3.48Å; L136-A139 PolarHBondContact O-N 3.29Å; L136-A140 WeakPolarHBondContact O-CB 3.38Å; L136-A140 PolarHBondContact O-N 3.06Å
137L93.3Very high91.4Very high3 Ų331.7 Ų31.72%0.01616%0.164CC..Hα-helixtrans-67.1-39.1176.7178.563.3000112.7Q133 A134 Q135 A140 L141 F154 A156 I158 L167Q133-L137 WeakPolarHBondContact O-CB 3.21Å; Q133-L137 PolarHBondContact O-N 2.89Å; A134-L137 WeakPolarHBondContact O-CB 3.4Å; A134-L137 PolarHBondContact O-N 3.42Å; Q135-L137 VanDerWaalsContact C-N 3.28Å; Q135-L137 PolarHBondContact O-N 3.03Å; L137-A140 PolarHBondContact O-N 3.31Å; L137-L141 WeakPolarHBondContact O-CB 3.3Å; L137-L141 PolarHBondContact O-N 2.95Å; L137-F154 HydrophobicContact CD1-CE1 3.99Å; L137-F154 HydrophobicContact CD1-CZ 3.99Å; L137-A156 HydrophobicContact CD1-CB 3.33Å; L137-I158 HydrophobicContact CD2-CG2 3.63Å; L137-L167 HydrophobicContact CD2-CD1 3.31Å; L137-L167 HydrophobicContact CD2-CD2 3.38Å; L137-L167 HydrophobicContact CD2-CG 3.85Å; L137-L167 HydrophobicContact CG-CD1 4.16Å
138L91.1Very high92.1Very high38 Ų3826.6 Ų26.620%0.19914%0.136CC..Hα-helixtrans-64-42.3174.4-71.6173.7000111.2A134 Q135 L141 N142 P213A134-L138 WeakPolarHBondContact O-CG 3.35Å; A134-L138 PolarHBondContact O-N 3.49Å; Q135-L138 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 3.22Å; L138-N142 WeakPolarHBondContact O-CB 3.15Å; L138-N142 PolarHBondContact O-N 2.76Å; L138-P213 HydrophobicContact CB-CG 4.23Å
139A92.5Very high92.7Very high10 Ų1025 Ų258%0.08313%0.127CC..Hα-helixtrans-61-44.6173.200000111.9I93 T94 Q135 L136 N142 I143I93-A139 HydrophobicContact CD1-CB 4.03Å; I93-A139 HydrophobicContact CG1-CB 4.35Å; T94-A139 HydrophobicContact CG2-CB 3.99Å; Q135-A139 PolarHBondContact O-N 3.27Å; L136-A139 PolarHBondContact O-N 3.29Å; A139-N142 PolarHBondContact O-N 2.69Å; A139-I143 PolarHBondContact O-N 3Å; A139-I143 VanDerWaalsContact O-N 3.12Å
140A96.3Very high93.2Very high0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-64.2-41.2176.800000112.3L48 I93 C116 L136 L137 N142 I143 T144 F154L48-A140 HydrophobicContact CD1-CB 4.06Å; I93-A140 HydrophobicContact CD1-CB 4.23Å; C116-A140 HydrophobicContact CB-CB 4.41Å; L136-A140 WeakPolarHBondContact O-CB 3.38Å; L136-A140 PolarHBondContact O-N 3.06Å; L137-A140 PolarHBondContact O-N 3.31Å; A140-N142 VanDerWaalsContact C-N 3.33Å; A140-I143 VanDerWaalsContact O-CG2 3.26Å; A140-I143 WeakPolarHBondContact O-CG2 3.27Å; A140-T144 VanDerWaalsContact O-CB 3.28Å; A140-T144 WeakPolarHBondContact O-CB 3.25Å; A140-T144 PolarHBondContact O-N 2.69Å; A140-T144 PolarHBondContact O-OG1 2.8Å; A140-F154 HydrophobicContact CB-CE2 4.48Å; A140-F154 HydrophobicContact CB-CZ 4.15Å
141L95.2Very high93.7Very high13 Ų1330.2 Ų30.27%0.06817%0.17CC..Hα-helixtrans-62.1-42.9173.6177.162.7000110.7L137 L138 T144 T145 F154 L171 F174 F175L137-L141 WeakPolarHBondContact O-CB 3.3Å; L137-L141 PolarHBondContact O-N 2.95Å; L138-L141 PolarHBondContact O-N 3.22Å; L141-T144 WeakPolarHBondContact O-CA 3.28Å; L141-T144 VanDerWaalsContact O-CB 3.25Å; L141-T144 WeakPolarHBondContact O-CB 3.36Å; L141-T144 PolarHBondContact O-N 3.32Å; L141-T144 VanDerWaalsContact O-N 3.11Å; L141-T145 WeakPolarHBondContact O-CG2 3.42Å; L141-T145 PolarHBondContact O-N 3.49Å; L141-F154 HydrophobicContact CB-CE1 4.48Å; L141-F154 HydrophobicContact CD1-CD1 4.45Å; L141-F154 HydrophobicContact CD1-CE1 4.38Å; L141-L171 HydrophobicContact CD1-CD2 4.16Å; L141-L171 HydrophobicContact CD2-CD2 3.97Å; L141-F174 HydrophobicContact CD2-CD2 4.32Å; L141-F175 HydrophobicContact CD1-CE2 3.74Å; L141-F175 HydrophobicContact CD1-CZ 4.42Å
142N93.2Very high94.3Very high23 Ų2324.3 Ų24.312%0.12315%0.149CC..Hα-helixtrans-63.5-47.7-177.3-162.818000112.3L138 A139 A140 T144 T145 H146 N209 M210 S211L138-N142 WeakPolarHBondContact O-CB 3.15Å; L138-N142 PolarHBondContact O-N 2.76Å; A139-N142 PolarHBondContact O-N 2.69Å; A140-N142 VanDerWaalsContact C-N 3.33Å; N142-T144 PolarHBondContact O-N 3.43Å; N142-T145 PolarHBondContact O-N 2.82Å; N142-T145 PolarHBondContact O-OG1 3.33Å; N142-H146 PolarHBondContact O-ND1 3.33Å; N142-N209 PolarHBondContact ND2-O 3.41Å; N142-N209 PolarHBondContact OD1-O 3Å; N142-M210 WeakPolarHBondContact ND2-CA 3.47Å; N142-S211 PolarHBondContact ND2-O 3.25Å
143I95.8Very high94.8Very high0 Ų022.2 Ų22.20%014%0.139CC..Hα-helixtrans-64.9-33.3173.7-168.8167.6000111.6L48 I93 T98 A99 I102 A139 A140 T145 H146 I147 M210L48-I143 HydrophobicContact CD1-CG2 3.57Å; L48-I143 HydrophobicContact CD2-CG2 4.22Å; I93-I143 HydrophobicContact CB-CD1 4.35Å; I93-I143 HydrophobicContact CB-CG2 4.28Å; T98-I143 HydrophobicContact CG2-CD1 4.05Å; A99-I143 HydrophobicContact CB-CD1 4.2Å; A99-I143 HydrophobicContact CB-CG1 3.98Å; I102-I143 HydrophobicContact CD1-CD1 3.79Å; I102-I143 HydrophobicContact CD1-CG1 4.46Å; A139-I143 PolarHBondContact O-N 3Å; A139-I143 VanDerWaalsContact O-N 3.12Å; A140-I143 VanDerWaalsContact O-CG2 3.26Å; A140-I143 WeakPolarHBondContact O-CG2 3.27Å; I143-T145 VanDerWaalsContact C-N 3.3Å; I143-T145 PolarHBondContact O-N 2.81Å; I143-H146 WeakPolarHBondContact O-CB 3.44Å; I143-H146 PolarHBondContact O-N 3.2Å; I143-H146 VanDerWaalsContact O-N 3.14Å; I143-I147 HydrophobicContact CG1-CD1 4.35Å; I143-I147 WeakPolarHBondContact O-CG1 3.47Å; I143-I147 PolarHBondContact O-N 3.37Å; I143-M210 HydrophobicContact CB-CE 4.21Å; I143-M210 HydrophobicContact CB-SD 4.39Å
144T97.4Very high95.1Very high0 Ų022 Ų220%014%0.138CC..Hα-helixtrans-59.2-39.9175.8-62.40000111.4V114 A140 L141 N142 H146 I147 L148 F154V114-T144 HydrophobicContact CB-CG2 4.16Å; V114-T144 HydrophobicContact CG1-CG2 4.43Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.36Å; V114-T144 HydrophobicContact CG2-CG2 4.17Å; A140-T144 VanDerWaalsContact O-CB 3.28Å; A140-T144 WeakPolarHBondContact O-CB 3.25Å; A140-T144 PolarHBondContact O-N 2.69Å; A140-T144 PolarHBondContact O-OG1 2.8Å; L141-T144 WeakPolarHBondContact O-CA 3.28Å; L141-T144 VanDerWaalsContact O-CB 3.25Å; L141-T144 WeakPolarHBondContact O-CB 3.36Å; L141-T144 PolarHBondContact O-N 3.32Å; L141-T144 VanDerWaalsContact O-N 3.11Å; N142-T144 PolarHBondContact O-N 3.43Å; T144-H146 PolarHBondContact O-N 2.67Å; T144-H146 VanDerWaalsContact O-N 3.16Å; T144-I147 PolarHBondContact O-N 3Å; T144-I147 VanDerWaalsContact O-N 3.16Å; T144-L148 HydrophobicContact CG2-CB 3.76Å; T144-L148 HydrophobicContact CG2-CD2 3.64Å; T144-L148 HydrophobicContact CG2-CG 4.25Å; T144-L148 WeakPolarHBondContact O-CB 3.48Å; T144-L148 PolarHBondContact O-N 3.07Å; T144-F154 HydrophobicContact CG2-CB 4.1Å; T144-F154 HydrophobicContact CG2-CD2 3.96Å; T144-F154 HydrophobicContact CG2-CG 4.07Å; T144-F154 WeakPolarHBondContact OG1-CE2 3.32Å
145T95.4Very high95.6Very high7 Ų720.5 Ų20.54%0.04313%0.126CC..Hα-helixtrans-63.9-22.3179.768.90000113.7L141 N142 I143 F174 Y200 Y206 P208L141-T145 WeakPolarHBondContact O-CG2 3.42Å; L141-T145 PolarHBondContact O-N 3.49Å; N142-T145 PolarHBondContact O-N 2.82Å; N142-T145 PolarHBondContact O-OG1 3.33Å; I143-T145 VanDerWaalsContact C-N 3.3Å; I143-T145 PolarHBondContact O-N 2.81Å; T145-F174 HydrophobicContact CG2-CD1 4.18Å; T145-F174 HydrophobicContact CG2-CE1 4.17Å; T145-Y200 VanDerWaalsContact CA-OH 3.3Å; T145-Y200 WeakPolarHBondContact CA-OH 3.49Å; T145-Y200 VanDerWaalsContact CB-OH 3.27Å; T145-Y200 WeakPolarHBondContact CB-OH 3.39Å; T145-Y200 HydrophobicContact CG2-CE2 4.37Å; T145-Y200 PolarHBondContact O-OH 3.18Å; T145-Y206 HydrophobicContact CG2-CE1 4.12Å; T145-Y206 PolarHBondContact OG1-OH 2.99Å; T145-P208 VanDerWaalsContact O-CG 3.28Å; T145-P208 WeakPolarHBondContact O-CG 3.29Å
146H94.1Very high96.1Very high52 Ų5218.8 Ų18.824%0.24112%0.118CC..Hα-helixtrans-84.8-28.5177.4-65.172.5000113.2A99 N142 I143 T144 P208 N209 M210A99-H146 HydrophobicContact CB-CB 4.35Å; N142-H146 PolarHBondContact O-ND1 3.33Å; I143-H146 WeakPolarHBondContact O-CB 3.44Å; I143-H146 PolarHBondContact O-N 3.2Å; I143-H146 VanDerWaalsContact O-N 3.14Å; T144-H146 PolarHBondContact O-N 2.67Å; T144-H146 VanDerWaalsContact O-N 3.16Å; H146-P208 HydrophobicContact CB-CB 4.38Å; H146-P208 VanDerWaalsContact NE2-C 3.26Å; H146-P208 PolarHBondContact NE2-O 3.03Å; H146-N209 PolarHBondContact CE1-N 3.26Å; H146-N209 VanDerWaalsContact CE1-N 3.28Å; H146-N209 WeakPolarHBondContact NE2-CA 3.16Å; H146-N209 PolarHBondContact NE2-N 3.45Å; H146-M210 PolarHBondContact CE1-SD 3.21Å
147I97Very high96.3Very high2 Ų217.6 Ų17.61%0.0111%0.111CC..Hα-helixtrans-115-14.6-167.670.6-174.6000113.6V46 A99 I102 I103 P110 A111 V114 I143 T144V46-I147 HydrophobicContact CB-CD1 4.32Å; V46-I147 HydrophobicContact CG1-CD1 4.08Å; V46-I147 HydrophobicContact CG2-CD1 4.09Å; A99-I147 HydrophobicContact CB-CG2 4.35Å; I102-I147 HydrophobicContact CB-CG2 4.45Å; I102-I147 HydrophobicContact CD1-CD1 3.99Å; I102-I147 HydrophobicContact CG2-CB 4.47Å; I102-I147 HydrophobicContact CG2-CD1 4.31Å; I102-I147 HydrophobicContact CG2-CG2 4.27Å; I103-I147 HydrophobicContact CD1-CG2 4.32Å; I103-I147 HydrophobicContact CG1-CG2 4.08Å; P110-I147 CarbonylContact C-O 3.39Å; P110-I147 VanDerWaalsContact CA-O 3.29Å; P110-I147 WeakPolarHBondContact CA-O 3.36Å; P110-I147 WeakPolarHBondContact CB-O 3.34Å; A111-I147 PolarHBondContact N-O 2.8Å; V114-I147 HydrophobicContact CG2-CD1 4.01Å; V114-I147 HydrophobicContact CG2-CG1 4.01Å; I143-I147 HydrophobicContact CG1-CD1 4.35Å; I143-I147 WeakPolarHBondContact O-CG1 3.47Å; I143-I147 PolarHBondContact O-N 3.37Å; T144-I147 PolarHBondContact O-N 3Å; T144-I147 VanDerWaalsContact O-N 3.16Å
148L98.3Very high96.3Very high7 Ų717.5 Ų17.54%0.03711%0.11CC..EExtended strand (participates in β ladder)trans-91.3135.3-175.4-170.869.8000111.5V114 T144 F154 F175 Y200V114-L148 HydrophobicContact CG2-CB 4.4Å; V114-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CB 3.76Å; T144-L148 HydrophobicContact CG2-CD2 3.64Å; T144-L148 HydrophobicContact CG2-CG 4.25Å; T144-L148 WeakPolarHBondContact O-CB 3.48Å; T144-L148 PolarHBondContact O-N 3.07Å; L148-F154 HydrophobicContact CD2-CB 4.34Å; L148-F175 HydrophobicContact CD2-CE1 3.78Å; L148-F175 HydrophobicContact CD2-CZ 4.01Å; L148-Y200 HydrophobicContact CB-CD1 4.27Å; L148-Y200 HydrophobicContact CD2-CD1 4.16Å; L148-Y200 HydrophobicContact CD2-CD2 4.24Å; L148-Y200 HydrophobicContact CD2-CG 3.77Å; L148-Y200 HydrophobicContact CG-CD1 4.21Å; L148-Y200 HydrophobicContact CG-CG 4.31Å
149T97.4Very high96.4Very high33 Ų3316.6 Ų16.620%0.20211%0.105CC..EExtended strand (participates in β ladder)trans-70.3146.3175.9-169.70000111A111 G151 G152 Y200A111-T149 VanDerWaalsContact O-CG2 3.3Å; A111-T149 WeakPolarHBondContact O-CG2 3.48Å; A111-T149 PolarHBondContact O-N 2.81Å; T149-G151 PolarHBondContact O-N 3.44Å; T149-G152 WeakPolarHBondContact O-CA 3.26Å; T149-G152 PolarHBondContact O-N 3.22Å; T149-Y200 WeakPolarHBondContact O-CD1 3.27Å
150P97.4Very high96.1Very high96 Ų9622.7 Ų22.762%0.62313%0.126SC*.EExtended strand (participates in β ladder)trans-50.4136.8162.7-26.335.3000110.7G152 Y200P150-G152 PolarHBondContact O-N 2.88Å; P150-Y200 WeakPolarHBondContact CA-O 3.09Å
151G97.9Very high95.4Very high40 Ų4023.9 Ų23.941%0.41214%0.138SC..EExtended strand (participates in β ladder)trans81.8-9.4-171.200000115.1T149 N199 Y200T149-G151 PolarHBondContact O-N 3.44Å; G151-N199 WeakPolarHBondContact CA-OD1 3.39Å; G151-Y200 PolarHBondContact N-O 3.44Å
152G98.4Very high94.5Very high5 Ų531.3 Ų31.35%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-67.4169.8-178.900000114.4N112 T149 P150 N199 Y200N112-G152 WeakPolarHBondContact O-CA 3.28Å; T149-G152 WeakPolarHBondContact O-CA 3.26Å; T149-G152 PolarHBondContact O-N 3.22Å; P150-G152 PolarHBondContact O-N 2.88Å; G152-N199 PolarHBondContact O-N 3.43Å; G152-Y200 PolarHBondContact O-N 3.43Å
153T98.8Very high93.5Very high23 Ų2336 Ų3614%0.14120%0.195CC..EExtended strand (participates in β ladder)trans-116.1137.4-179-63.10000111.5L38 N112 L113 V114 V155 C197 Q198L38-T153 HydrophobicContact CD2-CG2 3.89Å; N112-T153 PolarHBondContact O-N 3.5Å; L113-T153 WeakPolarHBondContact CA-O 3.27Å; L113-T153 HydrophobicContact CD1-CG2 3.99Å; V114-T153 PolarHBondContact N-O 3.27Å; T153-V155 HydrophobicContact CG2-CG2 4.04Å; T153-C197 CarbonylContact C-O 3.58Å; T153-C197 WeakPolarHBondContact CA-O 3.25Å; T153-Q198 HydrophobicContact CG2-CG 4.2Å
154F98.8Very high92.8Very high0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-119.7129.2172.6173.6-123.8000110.2V114 C116 L137 A140 L141 T144 L148 A156 L171 F175 C197V114-F154 HydrophobicContact CB-CD2 4.02Å; V114-F154 HydrophobicContact CG1-CD2 3.93Å; V114-F154 HydrophobicContact CG1-CE2 4.17Å; V114-F154 CarbonylContact O-C 3.55Å; V114-F154 VanDerWaalsContact O-CA 3.29Å; V114-F154 WeakPolarHBondContact O-CA 3.42Å; C116-F154 HydrophobicContact CB-CE2 4.5Å; L137-F154 HydrophobicContact CD1-CE1 3.99Å; L137-F154 HydrophobicContact CD1-CZ 3.99Å; A140-F154 HydrophobicContact CB-CE2 4.48Å; A140-F154 HydrophobicContact CB-CZ 4.15Å; L141-F154 HydrophobicContact CB-CE1 4.48Å; L141-F154 HydrophobicContact CD1-CD1 4.45Å; L141-F154 HydrophobicContact CD1-CE1 4.38Å; T144-F154 HydrophobicContact CG2-CB 4.1Å; T144-F154 HydrophobicContact CG2-CD2 3.96Å; T144-F154 HydrophobicContact CG2-CG 4.07Å; T144-F154 WeakPolarHBondContact OG1-CE2 3.32Å; L148-F154 HydrophobicContact CD2-CB 4.34Å; F154-A156 HydrophobicContact CE1-CB 3.87Å; F154-A156 HydrophobicContact CE2-CB 4.03Å; F154-A156 HydrophobicContact CZ-CB 3.5Å; F154-L171 HydrophobicContact CE1-CD2 4.39Å; F154-F175 HydrophobicContact CB-CE1 3.76Å; F154-F175 HydrophobicContact CB-CE2 4.36Å; F154-F175 HydrophobicContact CB-CZ 3.47Å; F154-F175 VanDerWaalsContact CB-CZ 3.47Å; F154-F175 HydrophobicContact CD1-CE2 4.29Å; F154-F175 HydrophobicContact CD1-CZ 4.17Å; F154-F175 HydrophobicContact CG-CZ 4.19Å; F154-C197 HydrophobicContact CB-CB 4.17Å; F154-C197 HydrophobicContact CD1-CB 4.34Å; F154-C197 PolarHBondContact N-O 3.12Å; F154-C197 WeakPolarHBondContact O-CA 3.28Å; F154-C197 WeakPolarHBondContact O-CB 3.42Å; F154-C197 PolarHBondContact O-N 3.24Å
155V98.8Very high92.1Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-124.8126.9177.2-177.70000109.5L32 L38 W55 L113 V114 V115 C116 T153 V195 V196L32-V155 HydrophobicContact CD1-CG1 4.01Å; L38-V155 HydrophobicContact CD1-CG2 3.97Å; L38-V155 HydrophobicContact CD2-CG2 3.98Å; W55-V155 HydrophobicContact CH2-CG1 4.35Å; W55-V155 HydrophobicContact CZ3-CG1 4.46Å; L113-V155 HydrophobicContact CD1-CG2 4.43Å; V114-V155 PolarHBondContact O-N 3.2Å; V115-V155 CarbonylContact C-O 3.56Å; V115-V155 VanDerWaalsContact CA-O 3.22Å; V115-V155 WeakPolarHBondContact CA-O 3.02Å; V115-V155 HydrophobicContact CG1-CB 4.18Å; C116-V155 PolarHBondContact N-O 3.33Å; T153-V155 HydrophobicContact CG2-CG2 4.04Å; V155-V195 VanDerWaalsContact CA-O 3.32Å; V155-V195 WeakPolarHBondContact CA-O 3.23Å; V155-V196 HydrophobicContact CG1-CG2 4.31Å; V155-V196 HydrophobicContact CG2-CG1 4.25Å; V155-V196 HydrophobicContact CG2-CG2 4.42Å
156A98.3Very high91.6Very high0 Ų046.5 Ų46.50%025%0.254CS..EExtended strand (participates in β ladder)trans-142.8148.2-179.100000113.6C116 L137 F154 F194 V195C116-A156 HydrophobicContact CB-CB 4.11Å; C116-A156 CarbonylContact O-C 3.49Å; C116-A156 VanDerWaalsContact O-CA 3.27Å; C116-A156 WeakPolarHBondContact O-CA 3.29Å; L137-A156 HydrophobicContact CD1-CB 3.33Å; F154-A156 HydrophobicContact CE1-CB 3.87Å; F154-A156 HydrophobicContact CE2-CB 4.03Å; F154-A156 HydrophobicContact CZ-CB 3.5Å; A156-F194 CarbonylContact O-C 3.4Å; A156-F194 VanDerWaalsContact O-CA 3.25Å; A156-F194 WeakPolarHBondContact O-CA 3.3Å; A156-V195 HydrophobicContact CB-CG2 4.06Å; A156-V195 PolarHBondContact N-O 3.38Å; A156-V195 PolarHBondContact O-N 3.48Å
157K96.8Very high91.1Very high17 Ų1744.9 Ų44.97%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-68.5137.9169.3179.7-177.5-75.8146.30110.3C116 D117 A119 Q133 F159 F194C116-K157 PolarHBondContact O-N 3.5Å; D117-K157 PolarHBondContact O-NZ 3.26Å; D117-K157 WeakPolarHBondContact OD1-CE 3.35Å; D117-K157 IonicContact OD1-NZ 2.84Å; D117-K157 PolarHBondContact OD1-NZ 3.28Å; D117-K157 IonicContact OD2-NZ 2.99Å; D117-K157 PolarHBondContact OD2-NZ 3.19Å; A119-K157 HydrophobicContact CB-CD 3.89Å; Q133-K157 PolarHBondContact NE2-O 3.37Å; K157-F159 HydrophobicContact CD-CE1 4.42Å; K157-F194 HydrophobicContact CB-CD1 4.17Å; K157-F194 HydrophobicContact CB-CE1 3.77Å; K157-F194 HydrophobicContact CB-CZ 4.42Å; K157-F194 HydrophobicContact CG-CE1 4.33Å
158I94.3Very high90.7Very high2 Ų247.2 Ų47.21%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-130.6156.9172.770.3160.2000110.1L137 R160 V164 L167 Y168 E192 S193 V195L137-I158 HydrophobicContact CD2-CG2 3.63Å; I158-R160 HydrophobicContact CD1-CB 4.39Å; I158-V164 HydrophobicContact CD1-CG2 3.77Å; I158-L167 HydrophobicContact CB-CD2 4.29Å; I158-L167 HydrophobicContact CG2-CD2 3.99Å; I158-Y168 HydrophobicContact CD1-CE1 3.89Å; I158-E192 WeakPolarHBondContact O-CA 3.28Å; I158-S193 WeakPolarHBondContact CG1-O 3.38Å; I158-S193 PolarHBondContact N-O 3.37Å; I158-S193 PolarHBondContact O-N 3.31Å; I158-S193 VanDerWaalsContact O-O 3.06Å; I158-V195 HydrophobicContact CD1-CG1 3.83Å; I158-V195 HydrophobicContact CG1-CG1 4.34Å; I158-V195 HydrophobicContact CG2-CB 4.27Å; I158-V195 HydrophobicContact CG2-CG1 3.69Å; I158-V195 HydrophobicContact CG2-CG2 3.76Å
159F92.1Very high90.2Very high18 Ų1850 Ų508%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-98.3117.8160.7-71.1-11000107.8A119 V122 D129 Q133 K157 G161 I191 E192A119-F159 HydrophobicContact CB-CZ 4.5Å; V122-F159 HydrophobicContact CG2-CZ 4.26Å; D129-F159 HydrophobicContact CB-CD2 4.27Å; D129-F159 HydrophobicContact CB-CE2 4.11Å; D129-F159 WeakPolarHBondContact O-CD2 3.46Å; Q133-F159 HydrophobicContact CB-CB 4.34Å; Q133-F159 HydrophobicContact CB-CD2 3.7Å; Q133-F159 HydrophobicContact CB-CE2 4.13Å; Q133-F159 HydrophobicContact CB-CG 4.02Å; Q133-F159 HydrophobicContact CG-CB 4.22Å; Q133-F159 HydrophobicContact CG-CD1 4.18Å; Q133-F159 HydrophobicContact CG-CD2 4.06Å; Q133-F159 HydrophobicContact CG-CE2 4.48Å; Q133-F159 HydrophobicContact CG-CG 3.89Å; K157-F159 HydrophobicContact CD-CE1 4.42Å; F159-G161 VanDerWaalsContact C-N 3.32Å; F159-G161 PolarHBondContact O-N 3.13Å; F159-G161 VanDerWaalsContact O-N 3.13Å; F159-I191 HydrophobicContact CB-CD1 3.93Å; F159-I191 HydrophobicContact CB-CG1 4.16Å; F159-I191 HydrophobicContact CD1-CG1 4.23Å; F159-I191 HydrophobicContact CD2-CD1 4.16Å; F159-I191 HydrophobicContact CG-CD1 4.01Å; F159-I191 HydrophobicContact CG-CG1 4.07Å; F159-E192 HydrophobicContact CD1-CB 4.29Å; F159-E192 HydrophobicContact CE1-CB 4.25Å
160R86.9Confident89.9Confident138 Ų13851.7 Ų51.752%0.52128%0.282SS..  trans-88.774.8-176.3-166.9-179.279.6176.65.8109.5I158 V164 I191I158-R160 HydrophobicContact CD1-CB 4.39Å; R160-V164 HydrophobicContact CG-CB 4.28Å; R160-V164 HydrophobicContact CG-CG1 4.07Å; R160-V164 HydrophobicContact CG-CG2 4.12Å; R160-I191 PolarHBondContact N-O 3.21Å
161G80.6Confident89.6Confident26 Ų2647.1 Ų47.127%0.26825%0.253SS..  trans-94.2-148.617400000112.4E130 F159E130-G161 VanDerWaalsContact CD-CA 3.45Å; E130-G161 WeakPolarHBondContact OE1-CA 3.49Å; E130-G161 PolarHBondContact OE1-N 2.63Å; E130-G161 VanDerWaalsContact OE2-CA 3.31Å; E130-G161 WeakPolarHBondContact OE2-CA 3.3Å; F159-G161 VanDerWaalsContact C-N 3.32Å; F159-G161 PolarHBondContact O-N 3.13Å; F159-G161 VanDerWaalsContact O-N 3.13Å
162K77.2Confident89.5Confident169 Ų16951.8 Ų51.874%0.73526%0.261SS*.THydrogen-bonded Turntrans-72.9-34.9-167.7-70.8175.6-176.2162.90112.6E130E130-K162 PolarHBondContact OE1-N 3.39Å; E130-K162 PolarHBondContact OE2-N 3.17Å
163D71.4Confident89.2Confident121 Ų12156 Ų5665%0.64728%0.282SS*.THydrogen-bonded Turntrans-104.819.9-167.9-63.4-46.3000113.5E130 T165 L166E130-D163 PolarHBondContact OE1-N 3.46Å; D163-T165 PolarHBondContact O-N 3.03Å; D163-L166 PolarHBondContact O-N 3.22Å; D163-L166 VanDerWaalsContact O-N 3.17Å
164V80.8Confident89.1Confident18 Ų1856.2 Ų56.211%0.10928%0.281CS..Hα-helixtrans-59.9-21.7-17878.10000113.9I158 R160 L166 L167 Y168I158-V164 HydrophobicContact CD1-CG2 3.77Å; R160-V164 HydrophobicContact CG-CB 4.28Å; R160-V164 HydrophobicContact CG-CG1 4.07Å; R160-V164 HydrophobicContact CG-CG2 4.12Å; V164-L166 VanDerWaalsContact C-N 3.35Å; V164-L166 PolarHBondContact O-N 3.28Å; V164-L167 HydrophobicContact CG2-CD2 4.39Å; V164-L167 WeakPolarHBondContact O-CB 3.47Å; V164-L167 PolarHBondContact O-N 3.28Å; V164-Y168 HydrophobicContact CB-CE2 4.43Å; V164-Y168 HydrophobicContact CG1-CD2 4.48Å; V164-Y168 HydrophobicContact CG1-CE2 3.82Å; V164-Y168 HydrophobicContact CG2-CD1 4.24Å; V164-Y168 HydrophobicContact CG2-CE1 3.54Å; V164-Y168 HydrophobicContact CG2-CE2 3.91Å; V164-Y168 WeakPolarHBondContact CG2-OH 2.89Å; V164-Y168 PolarHBondContact O-N 3.45Å
165T84.7Confident89Confident97 Ų9756.4 Ų56.460%0.59528%0.282SS*.Hα-helixtrans-64.3-37.2178.6-52.50000112.7D163 L167 Y168 S169D163-T165 PolarHBondContact O-N 3.03Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-Y168 PolarHBondContact O-N 3.27Å; T165-S169 PolarHBondContact O-N 3.11Å; T165-S169 PolarHBondContact O-OG 3.37Å
166L84.1Confident88.9Confident112 Ų11260.2 Ų60.259%0.58631%0.308SS*.Hα-helixtrans-62.4-45.8175.917559.4000109.8D163 V164 Y168 S169 Q170D163-L166 PolarHBondContact O-N 3.22Å; D163-L166 VanDerWaalsContact O-N 3.17Å; V164-L166 VanDerWaalsContact C-N 3.35Å; V164-L166 PolarHBondContact O-N 3.28Å; L166-Y168 PolarHBondContact O-N 3.47Å; L166-S169 WeakPolarHBondContact O-CB 3.26Å; L166-S169 PolarHBondContact O-N 2.87Å; L166-S169 VanDerWaalsContact O-N 3.15Å; L166-Q170 HydrophobicContact CD1-CG 4.45Å; L166-Q170 WeakPolarHBondContact O-CG 3.28Å; L166-Q170 PolarHBondContact O-N 2.88Å
167L84.1Confident88.8Confident18 Ų1862.2 Ų62.29%0.09432%0.322CS..Hα-helixtrans-60-44.9178175.364.5000112.1L137 I158 V164 T165 S169 Q170 L171L137-L167 HydrophobicContact CD2-CD1 3.31Å; L137-L167 HydrophobicContact CD2-CD2 3.38Å; L137-L167 HydrophobicContact CD2-CG 3.85Å; L137-L167 HydrophobicContact CG-CD1 4.16Å; I158-L167 HydrophobicContact CB-CD2 4.29Å; I158-L167 HydrophobicContact CG2-CD2 3.99Å; V164-L167 HydrophobicContact CG2-CD2 4.39Å; V164-L167 WeakPolarHBondContact O-CB 3.47Å; V164-L167 PolarHBondContact O-N 3.28Å; T165-L167 VanDerWaalsContact C-N 3.32Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.25Å; L167-Q170 PolarHBondContact O-N 3.15Å; L167-L171 HydrophobicContact CD1-CD1 4.23Å; L167-L171 HydrophobicContact CD1-CG 4.38Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.28Å
168Y88.2Confident88.9Confident51 Ų5162.5 Ų62.520%0.233%0.326CS..Hα-helixtrans-63.2-37.2176.7-63-21.3000112.4I158 V164 T165 L166 L171 K172 V178 C180 V195I158-Y168 HydrophobicContact CD1-CE1 3.89Å; V164-Y168 HydrophobicContact CB-CE2 4.43Å; V164-Y168 HydrophobicContact CG1-CD2 4.48Å; V164-Y168 HydrophobicContact CG1-CE2 3.82Å; V164-Y168 HydrophobicContact CG2-CD1 4.24Å; V164-Y168 HydrophobicContact CG2-CE1 3.54Å; V164-Y168 HydrophobicContact CG2-CE2 3.91Å; V164-Y168 WeakPolarHBondContact CG2-OH 2.89Å; V164-Y168 PolarHBondContact O-N 3.45Å; T165-Y168 PolarHBondContact O-N 3.27Å; L166-Y168 PolarHBondContact O-N 3.47Å; Y168-L171 PolarHBondContact O-N 3.41Å; Y168-K172 WeakPolarHBondContact O-CB 3.39Å; Y168-K172 WeakPolarHBondContact O-CG 3.42Å; Y168-K172 PolarHBondContact O-N 3.29Å; Y168-V178 HydrophobicContact CD1-CG1 4.42Å; Y168-C180 HydrophobicContact CE1-CB 4.42Å; Y168-C180 VanDerWaalsContact OH-CB 3.26Å; Y168-C180 WeakPolarHBondContact OH-CB 3.12Å; Y168-C180 PolarHBondContact OH-SG 3.28Å; Y168-V195 HydrophobicContact CD1-CG1 4.18Å; Y168-V195 HydrophobicContact CE1-CG1 3.71Å
169S88.6Confident89Confident66 Ų6664.9 Ų64.946%0.46234%0.34SS..Hα-helixtrans-63.5-44.4176-55.80000111.1T165 L166 L167 K172 I173T165-S169 PolarHBondContact O-N 3.11Å; T165-S169 PolarHBondContact O-OG 3.37Å; L166-S169 WeakPolarHBondContact O-CB 3.26Å; L166-S169 PolarHBondContact O-N 2.87Å; L166-S169 VanDerWaalsContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.25Å; S169-K172 PolarHBondContact O-N 3.38Å; S169-I173 PolarHBondContact O-N 2.95Å
170Q89.1Confident89.1Confident68 Ų6866.1 Ų66.132%0.31835%0.35SS..Hα-helixtrans-62.2-43.2176.4-70.3171-33.400112.2L166 L167 K172 I173L166-Q170 HydrophobicContact CD1-CG 4.45Å; L166-Q170 WeakPolarHBondContact O-CG 3.28Å; L166-Q170 PolarHBondContact O-N 2.88Å; L167-Q170 PolarHBondContact O-N 3.15Å; Q170-K172 PolarHBondContact O-N 3.13Å; Q170-I173 WeakPolarHBondContact O-CB 3.49Å; Q170-I173 PolarHBondContact O-N 3.39Å
171L92.9Very high89.6Confident0 Ų060.2 Ų60.20%033%0.332CS..Hα-helixtrans-65.8-38177-67.9167.3000111.9L141 F154 L167 Y168 I173 F174 F175 V178 V195L141-L171 HydrophobicContact CD1-CD2 4.16Å; L141-L171 HydrophobicContact CD2-CD2 3.97Å; F154-L171 HydrophobicContact CE1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CD1 4.23Å; L167-L171 HydrophobicContact CD1-CG 4.38Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.28Å; Y168-L171 PolarHBondContact O-N 3.41Å; L171-I173 PolarHBondContact O-N 3.02Å; L171-F174 PolarHBondContact O-N 2.82Å; L171-F175 WeakPolarHBondContact O-CD2 3.35Å; L171-F175 PolarHBondContact O-N 3.35Å; L171-F175 VanDerWaalsContact O-N 3.07Å; L171-V178 HydrophobicContact CB-CG1 4.09Å; L171-V178 HydrophobicContact CB-CG2 3.88Å; L171-V178 HydrophobicContact CD1-CG1 4.13Å; L171-V195 HydrophobicContact CD1-CB 4.11Å; L171-V195 HydrophobicContact CD1-CG1 3.95Å; L171-V195 HydrophobicContact CD1-CG2 3.96Å
172K94.1Very high90.3Very high138 Ų13862.5 Ų62.560%0.633%0.334SS*.Hα-helixtrans-65.6-15.2178.2-82-171.9174.8-172.70114.4Y168 S169 Q170 F174 V178Y168-K172 WeakPolarHBondContact O-CB 3.39Å; Y168-K172 WeakPolarHBondContact O-CG 3.42Å; Y168-K172 PolarHBondContact O-N 3.29Å; S169-K172 PolarHBondContact O-N 3.38Å; Q170-K172 PolarHBondContact O-N 3.13Å; K172-F174 VanDerWaalsContact C-N 3.26Å; K172-V178 HydrophobicContact CG-CB 4.12Å; K172-V178 HydrophobicContact CG-CG2 3.76Å
173I92.9Very high91.1Very high93 Ų9355 Ų5548%0.47730%0.303SS..Hα-helixtrans-66.1-34.6171.1-64169.5000110.5S169 Q170 L171 P203S169-I173 PolarHBondContact O-N 2.95Å; Q170-I173 WeakPolarHBondContact O-CB 3.49Å; Q170-I173 PolarHBondContact O-N 3.39Å; L171-I173 PolarHBondContact O-N 3.02Å; I173-P203 HydrophobicContact CG2-CG 3.5Å
174F96.1Very high92.1Very high28 Ų2859.6 Ų59.612%0.12331%0.311CS..Hα-helixtrans-105.9-13.1-173.1-67.1-78.6000113.9L141 T145 L171 K172 Y200 S201 P202 Y206L141-F174 HydrophobicContact CD2-CD2 4.32Å; T145-F174 HydrophobicContact CG2-CD1 4.18Å; T145-F174 HydrophobicContact CG2-CE1 4.17Å; L171-F174 PolarHBondContact O-N 2.82Å; K172-F174 VanDerWaalsContact C-N 3.26Å; F174-Y200 HydrophobicContact CB-CD2 4.25Å; F174-Y200 HydrophobicContact CB-CE2 4Å; F174-Y200 HydrophobicContact CD1-CE2 4.08Å; F174-Y200 HydrophobicContact CG-CE2 4.46Å; F174-Y200 CarbonylContact O-C 3.53Å; F174-Y200 WeakPolarHBondContact O-CA 3.38Å; F174-Y200 VanDerWaalsContact O-CD2 3.23Å; F174-Y200 WeakPolarHBondContact O-CD2 3.47Å; F174-S201 CarbonylContact O-C 3.55Å; F174-S201 PolarHBondContact O-N 2.92Å; F174-P202 HydrophobicContact CD1-CB 4.07Å; F174-P202 HydrophobicContact CE1-CB 4.47Å; F174-Y206 AromaticContact CE1-CD1 3.93Å; F174-Y206 HydrophobicContact CE1-CD1 3.93Å; F174-Y206 AromaticContact CE1-CD2 3.92Å; F174-Y206 HydrophobicContact CE1-CD2 3.92Å; F174-Y206 AromaticContact CE1-CE1 3.7Å; F174-Y206 HydrophobicContact CE1-CE1 3.7Å; F174-Y206 AromaticContact CE1-CE2 3.69Å; F174-Y206 HydrophobicContact CE1-CE2 3.69Å; F174-Y206 HydrophobicContact CE1-CG 4.03Å; F174-Y206 AromaticContact CE1-CZ 3.58Å; F174-Y206 HydrophobicContact CZ-CD2 4.23Å; F174-Y206 HydrophobicContact CZ-CE1 4.47Å; F174-Y206 AromaticContact CZ-CE2 3.76Å; F174-Y206 HydrophobicContact CZ-CE2 3.76Å; F174-Y206 AromaticContact CZ-CZ 3.89Å
175F97.6Very high92.5Very high4 Ų458.8 Ų58.82%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-137.2134.2-175.1-62.1-91.3000111.1L141 L148 F154 L171 S177 V178 C197 Y200L141-F175 HydrophobicContact CD1-CE2 3.74Å; L141-F175 HydrophobicContact CD1-CZ 4.42Å; L148-F175 HydrophobicContact CD2-CE1 3.78Å; L148-F175 HydrophobicContact CD2-CZ 4.01Å; F154-F175 HydrophobicContact CB-CE1 3.76Å; F154-F175 HydrophobicContact CB-CE2 4.36Å; F154-F175 HydrophobicContact CB-CZ 3.47Å; F154-F175 VanDerWaalsContact CB-CZ 3.47Å; F154-F175 HydrophobicContact CD1-CE2 4.29Å; F154-F175 HydrophobicContact CD1-CZ 4.17Å; F154-F175 HydrophobicContact CG-CZ 4.19Å; L171-F175 WeakPolarHBondContact O-CD2 3.35Å; L171-F175 PolarHBondContact O-N 3.35Å; L171-F175 VanDerWaalsContact O-N 3.07Å; F175-S177 VanDerWaalsContact C-N 3.31Å; F175-S177 PolarHBondContact O-N 2.8Å; F175-V178 HydrophobicContact CB-CG2 4.03Å; F175-C197 HydrophobicContact CB-CB 4.05Å; F175-C197 HydrophobicContact CD1-CB 3.59Å; F175-C197 HydrophobicContact CD2-CB 3.69Å; F175-C197 HydrophobicContact CE1-CB 3.85Å; F175-C197 HydrophobicContact CE2-CB 3.97Å; F175-C197 HydrophobicContact CG-CB 3.51Å; F175-C197 HydrophobicContact CZ-CB 4.06Å; F175-Y200 HydrophobicContact CD1-CD2 4.25Å; F175-Y200 AromaticContact CE1-CD2 3.78Å; F175-Y200 HydrophobicContact CE1-CD2 3.78Å; F175-Y200 HydrophobicContact CE1-CG 4.14Å; F175-Y200 HydrophobicContact CE2-CD2 4.23Å; F175-Y200 AromaticContact CZ-CD2 3.75Å; F175-Y200 HydrophobicContact CZ-CD2 3.75Å; F175-Y200 HydrophobicContact CZ-CG 4.47Å
176S96.6Very high92.7Very high80 Ų8054.6 Ų54.656%0.55928%0.281SS*.EExtended strand (participates in β ladder)trans-68.4-29.417964.90000113.7Q198 N199S176-Q198 PolarHBondContact OG-O 3.25Å; S176-N199 PolarHBondContact N-O 3.01Å; S176-N199 VanDerWaalsContact OG-CB 3.28Å; S176-N199 WeakPolarHBondContact OG-CB 3.16Å; S176-N199 PolarHBondContact OG-ND2 2.9Å
177S96.9Very high92.9Very high42 Ų4253.7 Ų53.729%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-129.2125.4178.4178.30000109.9F175 C197 Q198F175-S177 VanDerWaalsContact C-N 3.31Å; F175-S177 PolarHBondContact O-N 2.8Å; S177-C197 CarbonylContact O-C 3.54Å; S177-C197 WeakPolarHBondContact O-CA 3.45Å; S177-Q198 PolarHBondContact N-O 3.33Å; S177-Q198 PolarHBondContact O-N 2.88Å
178V97.1Very high92.8Very high24 Ų2460.2 Ų60.215%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-128.6110.3176.5179.50000107.7Y168 L171 K172 F175Y168-V178 HydrophobicContact CD1-CG1 4.42Å; L171-V178 HydrophobicContact CB-CG1 4.09Å; L171-V178 HydrophobicContact CB-CG2 3.88Å; L171-V178 HydrophobicContact CD1-CG1 4.13Å; K172-V178 HydrophobicContact CG-CB 4.12Å; K172-V178 HydrophobicContact CG-CG2 3.76Å; F175-V178 HydrophobicContact CB-CG2 4.03Å
179T96.6Very high92.6Very high52 Ų5262.9 Ų62.932%0.31933%0.33SS..EExtended strand (participates in β ladder)trans-114.9129.7-178.4-59.50000110.7F36 V195 V196F36-T179 HydrophobicContact CE1-CG2 3.85Å; F36-T179 HydrophobicContact CZ-CG2 3.77Å; T179-V195 CarbonylContact O-C 3.44Å; T179-V195 WeakPolarHBondContact O-CA 3.13Å; T179-V196 PolarHBondContact N-O 3.3Å; T179-V196 PolarHBondContact O-N 3.39Å
180C95.5Very high92.5Very high43 Ų4361.6 Ų61.629%0.29132%0.321SS..EExtended strand (participates in β ladder)trans-86.3123.8169.5-177.40000110.2Y168 F194Y168-C180 HydrophobicContact CE1-CB 4.42Å; Y168-C180 VanDerWaalsContact OH-CB 3.26Å; Y168-C180 WeakPolarHBondContact OH-CB 3.12Å; Y168-C180 PolarHBondContact OH-SG 3.28Å; C180-F194 CarbonylContact C-O 3.53Å; C180-F194 WeakPolarHBondContact CA-O 3.42Å
181A95.8Very high92.4Very high15 Ų1561.4 Ų61.412%0.12432%0.322CS..EExtended strand (participates in β ladder)trans-124.1139.5179.800000111.3L32 F36 F194 V196L32-A181 HydrophobicContact CD2-CB 3.55Å; F36-A181 HydrophobicContact CE2-CB 3.76Å; F36-A181 HydrophobicContact CZ-CB 4Å; A181-F194 PolarHBondContact N-O 3.25Å; A181-F194 PolarHBondContact O-N 2.6Å; A181-V196 HydrophobicContact CB-CG2 4.44Å
182K95.4Very high92.4Very high73 Ų7362.3 Ų62.332%0.31733%0.326SS..  trans-120.997.6171.7-170174.9178.769.60109S186 R187 S190 E192K182-S186 PolarHBondContact NZ-OG 2.93Å; K182-R187 WeakPolarHBondContact CE-O 3.37Å; K182-R187 PolarHBondContact NZ-O 3.43Å; K182-S190 PolarHBondContact NZ-O 3.37Å; K182-E192 PolarHBondContact NZ-O 3.12Å
183P94.3Very high92.4Very high12 Ų1255.8 Ų55.88%0.07830%0.298CS..  trans-64.9151.2-178.425.9-32.2000110.6K28 Q31 L32 S185 S186 F194K28-P183 HydrophobicContact CB-CG 3.92Å; K28-P183 HydrophobicContact CG-CG 4.19Å; Q31-P183 HydrophobicContact CB-CB 3.93Å; L32-P183 HydrophobicContact CG-CG 4.48Å; P183-S185 PolarHBondContact O-N 2.99Å; P183-S185 VanDerWaalsContact O-N 3.11Å; P183-S186 WeakPolarHBondContact O-CA 3.31Å; P183-S186 WeakPolarHBondContact O-CB 3.46Å; P183-S186 PolarHBondContact O-N 3.48Å; P183-F194 HydrophobicContact CG-CD2 3.9Å; P183-F194 HydrophobicContact CG-CE2 3.89Å
184R91.9Very high92.6Very high217 Ų21751.4 Ų51.482%0.81928%0.276SS*.THydrogen-bonded Turntrans-60.9-23.7-178.3-65.9178.769.1178.62.7113.5Q31 S186Q31-R184 VanDerWaalsContact OE1-N 3.1Å; R184-S186 VanDerWaalsContact C-N 3.3Å
185S90.6Very high92.7Very high1 Ų150 Ų501%0.00727%0.27CS..THydrogen-bonded Turntrans-74.5-17173.855.30000114.2Y12 R24 F27 K28 Q31 P183Y12-S185 VanDerWaalsContact CE2-CA 3.41Å; R24-S185 PolarHBondContact NH2-O 2.85Å; F27-S185 PolarHBondContact O-OG 3.12Å; K28-S185 VanDerWaalsContact CA-OG 3.28Å; K28-S185 WeakPolarHBondContact CA-OG 3.39Å; K28-S185 WeakPolarHBondContact CG-OG 3.48Å; K28-S185 PolarHBondContact N-OG 3.24Å; Q31-S185 PolarHBondContact OE1-OG 2.96Å; P183-S185 PolarHBondContact O-N 2.99Å; P183-S185 VanDerWaalsContact O-N 3.11Å
186S89.3Confident92.8Very high9 Ų949.9 Ų49.96%0.06327%0.269CS..SBendtrans-72.3137.5166.8179.20000110.5K182 P183 R184 N188 E192K182-S186 PolarHBondContact NZ-OG 2.93Å; P183-S186 WeakPolarHBondContact O-CA 3.31Å; P183-S186 WeakPolarHBondContact O-CB 3.46Å; P183-S186 PolarHBondContact O-N 3.48Å; R184-S186 VanDerWaalsContact C-N 3.3Å; S186-N188 PolarHBondContact O-N 3.28Å; S186-E192 WeakPolarHBondContact CA-OE1 3.44Å; S186-E192 VanDerWaalsContact CB-OE1 3.29Å; S186-E192 WeakPolarHBondContact CB-OE1 3.41Å; S186-E192 VanDerWaalsContact OG-CD 3.23Å; S186-E192 WeakPolarHBondContact OG-CG 3.42Å; S186-E192 PolarHBondContact OG-OE1 3.46Å
187R86.9Confident92.8Very high94 Ų9446 Ų4636%0.35524%0.242SC..  trans-70.3134.3180-68.5178.1175.1175.5-3.2109.6D7 D10 K182 S189 S190D7-R187 IonicContact OD1-NH2 2.76Å; D7-R187 PolarHBondContact OD1-NH2 3.07Å; D10-R187 IonicContact OD2-CZ 2.69Å; D10-R187 IonicContact OD2-NE 3.32Å; D10-R187 PolarHBondContact OD2-NE 2.95Å; D10-R187 IonicContact OD2-NH2 3.33Å; D10-R187 PolarHBondContact OD2-NH2 3.08Å; K182-R187 WeakPolarHBondContact CE-O 3.37Å; K182-R187 PolarHBondContact NZ-O 3.43Å; R187-S189 PolarHBondContact O-N 2.81Å; R187-S190 WeakPolarHBondContact O-CB 3.08Å; R187-S190 PolarHBondContact O-N 2.84Å
188N82.1Confident92.9Very high154 Ų15446.8 Ų46.882%0.82424%0.241SC*.THydrogen-bonded Turntrans-61.2-32.1176.6-167.461.9000112.6S186 S190S186-N188 PolarHBondContact O-N 3.28Å; N188-S190 PolarHBondContact O-N 2.98Å
189S84.5Confident92.9Very high107 Ų10749.6 Ų49.675%0.74826%0.255SS*.THydrogen-bonded Turntrans-75.3-6.8176.565.60000114.1R187R187-S189 PolarHBondContact O-N 2.81Å
190S85.7Confident93Very high39 Ų3947.5 Ų47.527%0.27324%0.242SC..SBendtrans-94.9137.8177.4178.60000109.7K182 R187 N188 E192K182-S190 PolarHBondContact NZ-O 3.37Å; R187-S190 WeakPolarHBondContact O-CB 3.08Å; R187-S190 PolarHBondContact O-N 2.84Å; N188-S190 PolarHBondContact O-N 2.98Å; S190-E192 PolarHBondContact O-N 2.89Å; S190-E192 WeakPolarHBondContact OG-CB 3.45Å; S190-E192 VanDerWaalsContact OG-CG 3.29Å; S190-E192 WeakPolarHBondContact OG-CG 3.47Å; S190-E192 PolarHBondContact OG-N 3.21Å; S190-E192 VanDerWaalsContact OG-N 3.11Å
191I88.1Confident93.1Very high65 Ų6548.7 Ų48.733%0.33325%0.25SS..  trans-73-2.7170.663.3173.4000112.8F159 R160 S193F159-I191 HydrophobicContact CB-CD1 3.93Å; F159-I191 HydrophobicContact CB-CG1 4.16Å; F159-I191 HydrophobicContact CD1-CG1 4.23Å; F159-I191 HydrophobicContact CD2-CD1 4.16Å; F159-I191 HydrophobicContact CG-CD1 4.01Å; F159-I191 HydrophobicContact CG-CG1 4.07Å; R160-I191 PolarHBondContact N-O 3.21Å; I191-S193 PolarHBondContact O-N 3.04Å
192E92.1Very high93Very high18 Ų1850 Ų508%0.08426%0.258CS..EExtended strand (participates in β ladder)trans-60.5138.3175.382.5-177.5168.300110.7K28 I158 F159 K182 S186 S190K28-E192 IonicContact NZ-OE1 3.83Å; K28-E192 PolarHBondContact NZ-OE1 2.76Å; K28-E192 IonicContact NZ-OE2 3.89Å; K28-E192 PolarHBondContact NZ-OE2 3.49Å; I158-E192 WeakPolarHBondContact O-CA 3.28Å; F159-E192 HydrophobicContact CD1-CB 4.29Å; F159-E192 HydrophobicContact CE1-CB 4.25Å; K182-E192 PolarHBondContact NZ-O 3.12Å; S186-E192 WeakPolarHBondContact CA-OE1 3.44Å; S186-E192 VanDerWaalsContact CB-OE1 3.29Å; S186-E192 WeakPolarHBondContact CB-OE1 3.41Å; S186-E192 VanDerWaalsContact OG-CD 3.23Å; S186-E192 WeakPolarHBondContact OG-CG 3.42Å; S186-E192 PolarHBondContact OG-OE1 3.46Å; S190-E192 PolarHBondContact O-N 2.89Å; S190-E192 WeakPolarHBondContact OG-CB 3.45Å; S190-E192 VanDerWaalsContact OG-CG 3.29Å; S190-E192 WeakPolarHBondContact OG-CG 3.47Å; S190-E192 PolarHBondContact OG-N 3.21Å; S190-E192 VanDerWaalsContact OG-N 3.11Å
193S95.1Very high92.8Very high2 Ų248.5 Ų48.51%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-144.6177.8167.1-660000107.8I158 I191I158-S193 WeakPolarHBondContact CG1-O 3.38Å; I158-S193 PolarHBondContact N-O 3.37Å; I158-S193 PolarHBondContact O-N 3.31Å; I158-S193 VanDerWaalsContact O-O 3.06Å; I191-S193 PolarHBondContact O-N 3.04Å
194F97.3Very high92.6Very high0 Ų057 Ų570%029%0.294CS..EExtended strand (participates in β ladder)trans-125.6138178.7-65.6-91.1000109.4K28 L32 W55 D117 A156 K157 C180 A181 P183K28-F194 HydrophobicContact CB-CE2 4.36Å; K28-F194 HydrophobicContact CB-CZ 4.24Å; K28-F194 HydrophobicContact CD-CE2 3.79Å; K28-F194 HydrophobicContact CD-CZ 3.49Å; K28-F194 VanDerWaalsContact CD-CZ 3.49Å; K28-F194 HydrophobicContact CG-CE2 4.5Å; K28-F194 HydrophobicContact CG-CZ 4.45Å; L32-F194 HydrophobicContact CD1-CB 3.99Å; L32-F194 HydrophobicContact CD1-CD1 4.07Å; L32-F194 HydrophobicContact CD1-CD2 4.3Å; L32-F194 HydrophobicContact CD1-CG 3.83Å; L32-F194 HydrophobicContact CD2-CB 4.34Å; W55-F194 AromaticContact CH2-CD1 3.71Å; W55-F194 HydrophobicContact CH2-CD1 3.71Å; W55-F194 AromaticContact CH2-CE1 3.47Å; W55-F194 HydrophobicContact CH2-CE1 3.47Å; W55-F194 VanDerWaalsContact CH2-CE1 3.47Å; W55-F194 HydrophobicContact CH2-CZ 4.49Å; W55-F194 HydrophobicContact CZ2-CD1 4.14Å; W55-F194 AromaticContact CZ2-CE1 3.51Å; W55-F194 HydrophobicContact CZ2-CE1 3.51Å; W55-F194 HydrophobicContact CZ2-CZ 4.14Å; D117-F194 VanDerWaalsContact OD1-CE1 3.31Å; D117-F194 WeakPolarHBondContact OD1-CE1 3.33Å; D117-F194 WeakPolarHBondContact OD1-CZ 3.44Å; A156-F194 CarbonylContact O-C 3.4Å; A156-F194 VanDerWaalsContact O-CA 3.25Å; A156-F194 WeakPolarHBondContact O-CA 3.3Å; K157-F194 HydrophobicContact CB-CD1 4.17Å; K157-F194 HydrophobicContact CB-CE1 3.77Å; K157-F194 HydrophobicContact CB-CZ 4.42Å; K157-F194 HydrophobicContact CG-CE1 4.33Å; C180-F194 CarbonylContact C-O 3.53Å; C180-F194 WeakPolarHBondContact CA-O 3.42Å; A181-F194 PolarHBondContact N-O 3.25Å; A181-F194 PolarHBondContact O-N 2.6Å; P183-F194 HydrophobicContact CG-CD2 3.9Å; P183-F194 HydrophobicContact CG-CE2 3.89Å
195V97.4Very high92.3Very high0 Ų049.5 Ų49.50%028%0.284CS..EExtended strand (participates in β ladder)trans-91.3134163.7-69.20000108.5V155 A156 I158 Y168 L171 T179V155-V195 VanDerWaalsContact CA-O 3.32Å; V155-V195 WeakPolarHBondContact CA-O 3.23Å; A156-V195 HydrophobicContact CB-CG2 4.06Å; A156-V195 PolarHBondContact N-O 3.38Å; A156-V195 PolarHBondContact O-N 3.48Å; I158-V195 HydrophobicContact CD1-CG1 3.83Å; I158-V195 HydrophobicContact CG1-CG1 4.34Å; I158-V195 HydrophobicContact CG2-CB 4.27Å; I158-V195 HydrophobicContact CG2-CG1 3.69Å; I158-V195 HydrophobicContact CG2-CG2 3.76Å; Y168-V195 HydrophobicContact CD1-CG1 4.18Å; Y168-V195 HydrophobicContact CE1-CG1 3.71Å; L171-V195 HydrophobicContact CD1-CB 4.11Å; L171-V195 HydrophobicContact CD1-CG1 3.95Å; L171-V195 HydrophobicContact CD1-CG2 3.96Å; T179-V195 CarbonylContact O-C 3.44Å; T179-V195 WeakPolarHBondContact O-CA 3.13Å
196V98.4Very high92.2Very high0 Ų051.3 Ų51.30%029%0.291CS..EExtended strand (participates in β ladder)trans-114.6104.6171.1-178.10000106.2L32 F36 L38 V155 T179 A181 Q198L32-V196 HydrophobicContact CD2-CG2 4.19Å; F36-V196 HydrophobicContact CB-CG1 4.26Å; F36-V196 HydrophobicContact CD1-CB 4.47Å; F36-V196 HydrophobicContact CD1-CG1 3.96Å; F36-V196 HydrophobicContact CD2-CB 4.49Å; F36-V196 HydrophobicContact CD2-CG1 4.26Å; F36-V196 HydrophobicContact CD2-CG2 3.92Å; F36-V196 HydrophobicContact CE1-CB 4.41Å; F36-V196 HydrophobicContact CE1-CG1 4.37Å; F36-V196 HydrophobicContact CE2-CB 4.46Å; F36-V196 HydrophobicContact CE2-CG2 3.82Å; F36-V196 HydrophobicContact CG-CG1 3.91Å; F36-V196 HydrophobicContact CG-CG2 4.4Å; F36-V196 HydrophobicContact CZ-CB 4.41Å; F36-V196 HydrophobicContact CZ-CG2 4.19Å; L38-V196 HydrophobicContact CD2-CG1 3.96Å; V155-V196 HydrophobicContact CG1-CG2 4.31Å; V155-V196 HydrophobicContact CG2-CG1 4.25Å; V155-V196 HydrophobicContact CG2-CG2 4.42Å; T179-V196 PolarHBondContact N-O 3.3Å; T179-V196 PolarHBondContact O-N 3.39Å; A181-V196 HydrophobicContact CB-CG2 4.44Å; V196-Q198 HydrophobicContact CG1-CG 4.05Å
197C98.5Very high92.1Very high0 Ų056.4 Ų56.40%032%0.316CS..EExtended strand (participates in β ladder)trans-104111-176.3-57.70000108.4T153 F154 F175 S177T153-C197 CarbonylContact C-O 3.58Å; T153-C197 WeakPolarHBondContact CA-O 3.25Å; F154-C197 HydrophobicContact CB-CB 4.17Å; F154-C197 HydrophobicContact CD1-CB 4.34Å; F154-C197 PolarHBondContact N-O 3.12Å; F154-C197 WeakPolarHBondContact O-CA 3.28Å; F154-C197 WeakPolarHBondContact O-CB 3.42Å; F154-C197 PolarHBondContact O-N 3.24Å; F175-C197 HydrophobicContact CB-CB 4.05Å; F175-C197 HydrophobicContact CD1-CB 3.59Å; F175-C197 HydrophobicContact CD2-CB 3.69Å; F175-C197 HydrophobicContact CE1-CB 3.85Å; F175-C197 HydrophobicContact CE2-CB 3.97Å; F175-C197 HydrophobicContact CG-CB 3.51Å; F175-C197 HydrophobicContact CZ-CB 4.06Å; S177-C197 CarbonylContact O-C 3.54Å; S177-C197 WeakPolarHBondContact O-CA 3.45Å
198Q98.4Very high92Very high58 Ų5854.2 Ų54.227%0.27131%0.314SS..EExtended strand (participates in β ladder)trans-111.6151.5-174.7-61-179.5-6900111.3T153 S176 S177 V196T153-Q198 HydrophobicContact CG2-CG 4.2Å; S176-Q198 PolarHBondContact OG-O 3.25Å; S177-Q198 PolarHBondContact N-O 3.33Å; S177-Q198 PolarHBondContact O-N 2.88Å; V196-Q198 HydrophobicContact CG1-CG 4.05Å
199N97.8Very high91.9Very high82 Ų8248.5 Ų48.544%0.43928%0.283SS..EExtended strand (participates in β ladder)trans5771.5178.5178.748.1000111.1G151 G152 S176 S201G151-N199 WeakPolarHBondContact CA-OD1 3.39Å; G152-N199 PolarHBondContact O-N 3.43Å; S176-N199 PolarHBondContact N-O 3.01Å; S176-N199 VanDerWaalsContact OG-CB 3.28Å; S176-N199 WeakPolarHBondContact OG-CB 3.16Å; S176-N199 PolarHBondContact OG-ND2 2.9Å; N199-S201 PolarHBondContact O-N 3.48Å
200Y98.4Very high91.5Very high9 Ų944.6 Ų44.64%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-53.5122172.5-179.4-124.2000110.6T145 L148 T149 P150 G151 G152 F174 F175 P202T145-Y200 VanDerWaalsContact CA-OH 3.3Å; T145-Y200 WeakPolarHBondContact CA-OH 3.49Å; T145-Y200 VanDerWaalsContact CB-OH 3.27Å; T145-Y200 WeakPolarHBondContact CB-OH 3.39Å; T145-Y200 HydrophobicContact CG2-CE2 4.37Å; T145-Y200 PolarHBondContact O-OH 3.18Å; L148-Y200 HydrophobicContact CB-CD1 4.27Å; L148-Y200 HydrophobicContact CD2-CD1 4.16Å; L148-Y200 HydrophobicContact CD2-CD2 4.24Å; L148-Y200 HydrophobicContact CD2-CG 3.77Å; L148-Y200 HydrophobicContact CG-CD1 4.21Å; L148-Y200 HydrophobicContact CG-CG 4.31Å; T149-Y200 WeakPolarHBondContact O-CD1 3.27Å; P150-Y200 WeakPolarHBondContact CA-O 3.09Å; G151-Y200 PolarHBondContact N-O 3.44Å; G152-Y200 PolarHBondContact O-N 3.43Å; F174-Y200 HydrophobicContact CB-CD2 4.25Å; F174-Y200 HydrophobicContact CB-CE2 4Å; F174-Y200 HydrophobicContact CD1-CE2 4.08Å; F174-Y200 HydrophobicContact CG-CE2 4.46Å; F174-Y200 CarbonylContact O-C 3.53Å; F174-Y200 WeakPolarHBondContact O-CA 3.38Å; F174-Y200 VanDerWaalsContact O-CD2 3.23Å; F174-Y200 WeakPolarHBondContact O-CD2 3.47Å; F175-Y200 HydrophobicContact CD1-CD2 4.25Å; F175-Y200 AromaticContact CE1-CD2 3.78Å; F175-Y200 HydrophobicContact CE1-CD2 3.78Å; F175-Y200 HydrophobicContact CE1-CG 4.14Å; F175-Y200 HydrophobicContact CE2-CD2 4.23Å; F175-Y200 AromaticContact CZ-CD2 3.75Å; F175-Y200 HydrophobicContact CZ-CD2 3.75Å; F175-Y200 HydrophobicContact CZ-CG 4.47Å; Y200-P202 HydrophobicContact CE1-CG 4.01Å; Y200-P202 HydrophobicContact CE2-CB 4.23Å; Y200-P202 HydrophobicContact CE2-CG 4.41Å
201S96.8Very high90.6Very high68 Ų6843.6 Ų43.648%0.47625%0.247SC..  trans-146.578.3-174.4176.60000107.8F174 N199F174-S201 CarbonylContact O-C 3.55Å; F174-S201 PolarHBondContact O-N 2.92Å; N199-S201 PolarHBondContact O-N 3.48Å
202P94.2Very high89Confident42 Ų4244.3 Ų44.327%0.27325%0.251SS..PPolyproline II helixtrans-62.1153.6178.427.5-34.2000111F174 Y200 Y206F174-P202 HydrophobicContact CD1-CB 4.07Å; F174-P202 HydrophobicContact CE1-CB 4.47Å; Y200-P202 HydrophobicContact CE1-CG 4.01Å; Y200-P202 HydrophobicContact CE2-CB 4.23Å; Y200-P202 HydrophobicContact CE2-CG 4.41Å; P202-Y206 HydrophobicContact CB-CD1 3.86Å; P202-Y206 HydrophobicContact CB-CG 4.35Å
203P91.4Very high87.1Confident41 Ų4146 Ų4627%0.26626%0.264SS..PPolyproline II helixtrans-56.2151.4175.7-24.734.1000112.5I173 G205 Y206I173-P203 HydrophobicContact CG2-CG 3.5Å; P203-G205 PolarHBondContact O-N 3Å; P203-Y206 WeakPolarHBondContact O-CB 3.42Å; P203-Y206 PolarHBondContact O-N 2.92Å
204E89.3Confident84.9Confident192 Ų19249.8 Ų49.890%0.89728%0.283SS*.THydrogen-bonded Turntrans-57.2135.5174.5-169.2174.8-177.200110.7Y206 S239E204-Y206 PolarHBondContact O-N 3.47Å; E204-S239 PolarHBondContact O-OG 3.37Å; E204-S239 VanDerWaalsContact O-OG 3.05Å
205G86.1Confident82.3Confident58 Ų5857.7 Ų57.760%0.59833%0.325SS*.THydrogen-bonded Turntrans70.15.5-176.800000115.5P203 I207 N240P203-G205 PolarHBondContact O-N 3Å; G205-I207 PolarHBondContact O-N 3.02Å; G205-N240 PolarHBondContact O-ND2 3.24Å
206Y88.2Confident79.7Confident40 Ų4064.4 Ų64.416%0.15736%0.36CS..  trans-66.1129.7174.4176.4-99.5000110.2T145 F174 P202 P203 E204 P208 S239 N240T145-Y206 HydrophobicContact CG2-CE1 4.12Å; T145-Y206 PolarHBondContact OG1-OH 2.99Å; F174-Y206 AromaticContact CE1-CD1 3.93Å; F174-Y206 HydrophobicContact CE1-CD1 3.93Å; F174-Y206 AromaticContact CE1-CD2 3.92Å; F174-Y206 HydrophobicContact CE1-CD2 3.92Å; F174-Y206 AromaticContact CE1-CE1 3.7Å; F174-Y206 HydrophobicContact CE1-CE1 3.7Å; F174-Y206 AromaticContact CE1-CE2 3.69Å; F174-Y206 HydrophobicContact CE1-CE2 3.69Å; F174-Y206 HydrophobicContact CE1-CG 4.03Å; F174-Y206 AromaticContact CE1-CZ 3.58Å; F174-Y206 HydrophobicContact CZ-CD2 4.23Å; F174-Y206 HydrophobicContact CZ-CE1 4.47Å; F174-Y206 AromaticContact CZ-CE2 3.76Å; F174-Y206 HydrophobicContact CZ-CE2 3.76Å; F174-Y206 AromaticContact CZ-CZ 3.89Å; P202-Y206 HydrophobicContact CB-CD1 3.86Å; P202-Y206 HydrophobicContact CB-CG 4.35Å; P203-Y206 WeakPolarHBondContact O-CB 3.42Å; P203-Y206 PolarHBondContact O-N 2.92Å; E204-Y206 PolarHBondContact O-N 3.47Å; Y206-P208 HydrophobicContact CD1-CG 4.36Å; Y206-P208 HydrophobicContact CE1-CB 4.28Å; Y206-P208 HydrophobicContact CE1-CG 3.91Å; Y206-S239 WeakPolarHBondContact CA-OG 3.43Å; Y206-S239 PolarHBondContact N-OG 3.08Å; Y206-N240 WeakPolarHBondContact CD2-OD1 3.28Å; Y206-N240 WeakPolarHBondContact CE2-OD1 3.39Å
207I86.6Confident77.3Confident116 Ų11667.8 Ų67.860%0.59538%0.376SS*.  trans-118.1113.6177.8-60.8176.4000106.8G205 N209 N240G205-I207 PolarHBondContact O-N 3.02Å; I207-N209 PolarHBondContact O-N 3.09Å; I207-N209 PolarHBondContact O-ND2 3.18Å; I207-N209 VanDerWaalsContact O-ND2 3.11Å; I207-N240 PolarHBondContact N-ND2 2.91Å; I207-N240 PolarHBondContact N-OD1 2.81Å; I207-N240 VanDerWaalsContact N-OD1 3.13Å; I207-N240 PolarHBondContact O-OD1 2.84Å
208P85.3Confident74.5Confident47 Ų4771.3 Ų71.331%0.30540%0.401SS..  trans-52.6130.2175.6-24.933.1000110.9T145 H146 Y206T145-P208 VanDerWaalsContact O-CG 3.28Å; T145-P208 WeakPolarHBondContact O-CG 3.29Å; H146-P208 HydrophobicContact CB-CB 4.38Å; H146-P208 VanDerWaalsContact NE2-C 3.26Å; H146-P208 PolarHBondContact NE2-O 3.03Å; Y206-P208 HydrophobicContact CD1-CG 4.36Å; Y206-P208 HydrophobicContact CE1-CB 4.28Å; Y206-P208 HydrophobicContact CE1-CG 3.91Å
209N80.8Confident71.8Confident35 Ų3578.9 Ų78.919%0.18743%0.429CS..  trans-142.4140176.362.178.8000109.8N142 H146 I207 S211 V231N142-N209 PolarHBondContact ND2-O 3.41Å; N142-N209 PolarHBondContact OD1-O 3Å; H146-N209 PolarHBondContact CE1-N 3.26Å; H146-N209 VanDerWaalsContact CE1-N 3.28Å; H146-N209 WeakPolarHBondContact NE2-CA 3.16Å; H146-N209 PolarHBondContact NE2-N 3.45Å; I207-N209 PolarHBondContact O-N 3.09Å; I207-N209 PolarHBondContact O-ND2 3.18Å; I207-N209 VanDerWaalsContact O-ND2 3.11Å; N209-S211 PolarHBondContact O-N 2.67Å; N209-S211 VanDerWaalsContact O-N 3.15Å; N209-S211 VanDerWaalsContact OD1-CB 3.29Å; N209-S211 WeakPolarHBondContact OD1-CB 3.45Å; N209-S211 PolarHBondContact OD1-N 2.92Å; N209-S211 PolarHBondContact OD1-OG 3.46Å; N209-V231 HydrophobicContact CB-CG2 4.21Å
210M74.9Confident68.8Low25 Ų2577 Ų7712%0.12342%0.424CS..  trans-86.434.5179.4-65.5-62.6-67.700112.5I93 T94 V96 N142 I143 H146 N212I93-M210 WeakPolarHBondContact O-CE 3.26Å; T94-M210 VanDerWaalsContact O-CE 3.28Å; T94-M210 WeakPolarHBondContact O-CE 3.45Å; V96-M210 HydrophobicContact CB-CG 4.4Å; V96-M210 HydrophobicContact CG2-CB 3.52Å; V96-M210 HydrophobicContact CG2-CG 3.62Å; N142-M210 WeakPolarHBondContact ND2-CA 3.47Å; I143-M210 HydrophobicContact CB-CE 4.21Å; I143-M210 HydrophobicContact CB-SD 4.39Å; H146-M210 PolarHBondContact CE1-SD 3.21Å; M210-N212 PolarHBondContact O-N 3.06Å
211S66.6Low65.8Low18 Ų1883 Ų8313%0.12647%0.465CS..  trans-53131.8170.5-54.90000108.9N142 N209 P213 V231N142-S211 PolarHBondContact ND2-O 3.25Å; N209-S211 PolarHBondContact O-N 2.67Å; N209-S211 VanDerWaalsContact O-N 3.15Å; N209-S211 VanDerWaalsContact OD1-CB 3.29Å; N209-S211 WeakPolarHBondContact OD1-CB 3.45Å; N209-S211 PolarHBondContact OD1-N 2.92Å; N209-S211 PolarHBondContact OD1-OG 3.46Å; S211-P213 WeakPolarHBondContact O-CD 3.48Å; S211-P213 VanDerWaalsContact O-N 3.15Å; S211-V231 WeakPolarHBondContact OG-CB 3.45Å; S211-V231 WeakPolarHBondContact OG-CG1 3.49Å; S211-V231 WeakPolarHBondContact OG-CG2 3.38Å
212N55.6Low63.3Low80 Ų8083.7 Ų83.743%0.42848%0.482SS..  trans-66.8115.1177.8-167.9-7.1000108.7M210 L214M210-N212 PolarHBondContact O-N 3.06Å; N212-L214 PolarHBondContact O-N 2.97Å; N212-L214 VanDerWaalsContact OD1-CB 3.24Å; N212-L214 WeakPolarHBondContact OD1-CB 3.23Å; N212-L214 WeakPolarHBondContact OD1-CD1 3.43Å; N212-L214 VanDerWaalsContact OD1-CG 3.28Å; N212-L214 WeakPolarHBondContact OD1-CG 3.34Å; N212-L214 PolarHBondContact OD1-N 3.21Å; N212-L214 VanDerWaalsContact OD1-N 3.12Å
213P51.8Low60.7Low54 Ų5488 Ų8835%0.35150%0.5SS..  trans-70.9-9.9178.230.2-34.4000112.1L138 S211 L215L138-P213 HydrophobicContact CB-CG 4.23Å; S211-P213 WeakPolarHBondContact O-CD 3.48Å; S211-P213 VanDerWaalsContact O-N 3.15Å; P213-L215 PolarHBondContact O-N 3.26Å
214L48.3Very low58.1Low80 Ų8092.4 Ų92.442%0.41953%0.526SS..SBendtrans-66.5118.2169.1-62.5167.3000108Q135 N212 D216Q135-L214 HydrophobicContact CB-CD2 4.26Å; Q135-L214 HydrophobicContact CG-CD2 3.88Å; N212-L214 PolarHBondContact O-N 2.97Å; N212-L214 VanDerWaalsContact OD1-CB 3.24Å; N212-L214 WeakPolarHBondContact OD1-CB 3.23Å; N212-L214 WeakPolarHBondContact OD1-CD1 3.43Å; N212-L214 VanDerWaalsContact OD1-CG 3.28Å; N212-L214 WeakPolarHBondContact OD1-CG 3.34Å; N212-L214 PolarHBondContact OD1-N 3.21Å; N212-L214 VanDerWaalsContact OD1-N 3.12Å; L214-D216 PolarHBondContact O-N 3.43Å
215L43.3Very low55.7Low167 Ų16786.1 Ų86.187%0.87450%0.504SS*.  trans-59.826.7-178.7-68.9162.4000115P213 Q217P213-L215 PolarHBondContact O-N 3.26Å; L215-Q217 PolarHBondContact O-N 3.36Å; L215-Q217 VanDerWaalsContact O-N 3.08Å
216D42.1Very low53.4Low140 Ų14090.2 Ų90.275%0.74952%0.517SS*.  trans-83.430.6-178.1-159.720000112.9L214 S218L214-D216 PolarHBondContact O-N 3.43Å; D216-S218 PolarHBondContact O-N 3.05Å
217Q49.7Very low51Low72 Ų7295.8 Ų95.834%0.33655%0.548SS..  trans-92.497.8167.1-72.2-163.4-12.300109.1L215 Y219 F233L215-Q217 PolarHBondContact O-N 3.36Å; L215-Q217 VanDerWaalsContact O-N 3.08Å; Q217-Y219 PolarHBondContact O-N 2.91Å; Q217-Y219 VanDerWaalsContact O-N 3.1Å; Q217-F233 VanDerWaalsContact CD-CE2 3.41Å
218S38.3Very low48.8Very low74 Ų7492.9 Ų92.952%0.51754%0.538SS..  trans-60.1109.316228.20000108.2D216 A220D216-S218 PolarHBondContact O-N 3.05Å; S218-A220 PolarHBondContact O-N 3.04Å
219Y41.6Very low46.8Very low217 Ų21795.4 Ų95.485%0.85156%0.563SS**  trans-68.950.3164.5-69.5-89.3000110.4Q217Q217-Y219 PolarHBondContact O-N 2.91Å; Q217-Y219 VanDerWaalsContact O-N 3.1Å
220A36.2Very low45.3Very low41 Ų4199.9 Ų99.934%0.33959%0.587SS.*  trans-87.3118174.900000108.2S218 G222 M223S218-A220 PolarHBondContact O-N 3.04Å; A220-G222 PolarHBondContact O-N 2.86Å; A220-M223 HydrophobicContact CB-CB 4.02Å; A220-M223 PolarHBondContact O-N 3.37Å
221P35.5Very low44.3Very low137 Ų137100.3 Ų100.389%0.8959%0.59SS**THydrogen-bonded Turntrans-62.1112.91745.60.7000108.8
222G43.8Very low44.2Very low82 Ų82103 Ų10385%0.84560%0.604SS**THydrogen-bonded Turntrans99.96.1173.900000116.9A220A220-G222 PolarHBondContact O-N 2.86Å
223M39.4Very low44.5Very low133 Ų133102.8 Ų102.866%0.65560%0.599SS**  trans-97.797.9172.2-155.9105.876.800110.2A220 S225A220-M223 HydrophobicContact CB-CB 4.02Å; A220-M223 PolarHBondContact O-N 3.37Å; M223-S225 VanDerWaalsContact C-N 3.31Å; M223-S225 PolarHBondContact O-N 3.27Å
224T36.8Very low45.3Very low132 Ų132105.8 Ų105.881%0.8161%0.612SS**  trans-67.193.3166.7-43.70000107.7V226T224-V226 PolarHBondContact O-N 3.24Å; T224-V226 VanDerWaalsContact O-N 3.12Å
225S38.3Very low46.3Very low61 Ų61108.9 Ų108.943%0.42762%0.624SS.*  trans-62.2116.2173.459.20000108.5M223 I227M223-S225 VanDerWaalsContact C-N 3.31Å; M223-S225 PolarHBondContact O-N 3.27Å; S225-I227 PolarHBondContact O-N 2.72Å
226V37.8Very low47.8Very low144 Ų144102.2 Ų102.287%0.87359%0.589SS**SBendtrans-72.316.3179.2-145.90000112.3T224T224-V226 PolarHBondContact O-N 3.24Å; T224-V226 VanDerWaalsContact O-N 3.12Å
227I37.6Very low49.3Very low157 Ų157103 Ų10381%0.80559%0.588SS**SBendtrans-140.461.3-175.8-41.4-179.1000111S225S225-I227 PolarHBondContact O-N 2.72Å
228S41.5Very low50.8Low55 Ų55102.4 Ų102.439%0.38560%0.601SS.*  trans173.685.6142.257.20000107.7D230S228-D230 PolarHBondContact O-N 3.12Å
229A43.5Very low52.8Low100 Ų100101.1 Ų101.183%0.82659%0.593SS**THydrogen-bonded Turntrans-70.9-6.3-175.900000114.2
230D49.3Very low54.4Low129 Ų12992.4 Ų92.469%0.6956%0.561SS**THydrogen-bonded Turntrans-110.9-5.8-154.9-61.9-29.6000116.1S228S228-D230 PolarHBondContact O-N 3.12Å
231V54.2Low56.2Low33 Ų3395.2 Ų95.220%0.256%0.562CS.*  trans-145.4112.1174.5-168.80000112.5N209 S211 F233 L236N209-V231 HydrophobicContact CB-CG2 4.21Å; S211-V231 WeakPolarHBondContact OG-CB 3.45Å; S211-V231 WeakPolarHBondContact OG-CG1 3.49Å; S211-V231 WeakPolarHBondContact OG-CG2 3.38Å; V231-F233 PolarHBondContact O-N 3.22Å; V231-L236 HydrophobicContact CG1-CD1 4.4Å; V231-L236 HydrophobicContact CG1-CD2 3.98Å; V231-L236 HydrophobicContact CG1-CG 4.31Å
232D64.6Low57.7Low76 Ų7694.4 Ų94.441%0.40656%0.555SS.*  trans-78.8105166.4179.82.6000109N234 Q235D232-N234 PolarHBondContact O-N 3Å; D232-N234 WeakPolarHBondContact OD1-CB 3.24Å; D232-N234 PolarHBondContact OD1-N 3.4Å; D232-Q235 HydrophobicContact CB-CB 4.48Å; D232-Q235 HydrophobicContact CB-CG 3.94Å; D232-Q235 WeakPolarHBondContact O-CB 3.47Å; D232-Q235 PolarHBondContact O-N 2.91Å; D232-Q235 WeakPolarHBondContact OD2-CG 3.33Å; D232-Q235 PolarHBondContact OD2-NE2 3.18Å
233F61.7Low58.8Low75 Ų7596.7 Ų96.733%0.32955%0.546SS..G310 helixtrans-55.2-25.1179.5-87.3-94.1000113.3Q217 V231 Q235 L236 R241Q217-F233 VanDerWaalsContact CD-CE2 3.41Å; V231-F233 PolarHBondContact O-N 3.22Å; F233-Q235 PolarHBondContact O-N 3.16Å; F233-L236 HydrophobicContact CD1-CD1 3.81Å; F233-L236 HydrophobicContact CE1-CD1 4.24Å; F233-L236 HydrophobicContact CG-CD1 4.36Å; F233-L236 PolarHBondContact O-N 2.67Å; F233-R241 PolarHBondContact O-NH1 3.03Å
234N67.1Low60.1Low117 Ų11796.1 Ų96.163%0.62655%0.55SS**G310 helixtrans-70.5-18.8177.5-69.1-47.5000113.3D232 R241D232-N234 PolarHBondContact O-N 3Å; D232-N234 WeakPolarHBondContact OD1-CB 3.24Å; D232-N234 PolarHBondContact OD1-N 3.4Å; N234-R241 PolarHBondContact O-NH1 3.36Å
235Q69.2Low61.4Low144 Ų14495.3 Ų95.367%0.67355%0.547SS*.G310 helixtrans-90.9-6.7178.9-60.4177.423.600113.2D232 F233D232-Q235 HydrophobicContact CB-CB 4.48Å; D232-Q235 HydrophobicContact CB-CG 3.94Å; D232-Q235 WeakPolarHBondContact O-CB 3.47Å; D232-Q235 PolarHBondContact O-N 2.91Å; D232-Q235 WeakPolarHBondContact OD2-CG 3.33Å; D232-Q235 PolarHBondContact OD2-NE2 3.18Å; F233-Q235 PolarHBondContact O-N 3.16Å
236L74.7Confident62.8Low27 Ų27101.6 Ų101.614%0.14157%0.567CS.*  trans-74.5133.2176.8-61177.9000110.4V231 F233 N240 R241V231-L236 HydrophobicContact CG1-CD1 4.4Å; V231-L236 HydrophobicContact CG1-CD2 3.98Å; V231-L236 HydrophobicContact CG1-CG 4.31Å; F233-L236 HydrophobicContact CD1-CD1 3.81Å; F233-L236 HydrophobicContact CE1-CD1 4.24Å; F233-L236 HydrophobicContact CG-CD1 4.36Å; F233-L236 PolarHBondContact O-N 2.67Å; L236-N240 HydrophobicContact CB-CB 4.38Å; L236-N240 HydrophobicContact CD2-CB 4.21Å; L236-R241 HydrophobicContact CB-CB 3.73Å; L236-R241 HydrophobicContact CB-CG 4.46Å; L236-R241 WeakPolarHBondContact O-CB 3.37Å; L236-R241 WeakPolarHBondContact O-CD 3.45Å
237E74.5Confident64.7Low157 Ų157101.3 Ų101.373%0.73456%0.56SS**  trans-131.7164-179.8-64.2-175.6174.500111.6S239 N240E237-S239 PolarHBondContact O-N 3.1Å; E237-N240 PolarHBondContact O-N 2.82Å
238G81.5Confident66.5Low59 Ų5996.8 Ų96.861%0.60855%0.546SS*.G310 helixtrans59.7-126.8172.500000113.7N240 R241G238-N240 PolarHBondContact O-N 3.32Å; G238-R241 CarbonylContact O-C 3.57Å; G238-R241 PolarHBondContact O-N 3.45Å; G238-R241 VanDerWaalsContact O-O 3.09Å
239S80.3Confident68.3Low48 Ų4899.9 Ų99.934%0.33657%0.567SS.*G310 helixtrans-68.4-16.5-178.652.10000114E204 Y206 E237E204-S239 PolarHBondContact O-OG 3.37Å; E204-S239 VanDerWaalsContact O-OG 3.05Å; Y206-S239 WeakPolarHBondContact CA-OG 3.43Å; Y206-S239 PolarHBondContact N-OG 3.08Å; E237-S239 PolarHBondContact O-N 3.1Å
240N75Confident69.9Low33 Ų3398.5 Ų98.518%0.17656%0.562CS.*G310 helixtrans-86.5-12177.4-56.2-69.8000112.9G205 Y206 I207 L236 E237 G238G205-N240 PolarHBondContact O-ND2 3.24Å; Y206-N240 WeakPolarHBondContact CD2-OD1 3.28Å; Y206-N240 WeakPolarHBondContact CE2-OD1 3.39Å; I207-N240 PolarHBondContact N-ND2 2.91Å; I207-N240 PolarHBondContact N-OD1 2.81Å; I207-N240 VanDerWaalsContact N-OD1 3.13Å; I207-N240 PolarHBondContact O-OD1 2.84Å; L236-N240 HydrophobicContact CB-CB 4.38Å; L236-N240 HydrophobicContact CD2-CB 4.21Å; E237-N240 PolarHBondContact O-N 2.82Å; G238-N240 PolarHBondContact O-N 3.32Å
241R74.3Confident71.3Confident100 Ų10097.5 Ų97.538%0.37756%0.557SS.*  trans-145.7106.8177.4-172.7180-175.9-178.35.5112F233 N234 L236 G238F233-R241 PolarHBondContact O-NH1 3.03Å; N234-R241 PolarHBondContact O-NH1 3.36Å; L236-R241 HydrophobicContact CB-CB 3.73Å; L236-R241 HydrophobicContact CB-CG 4.46Å; L236-R241 WeakPolarHBondContact O-CB 3.37Å; L236-R241 WeakPolarHBondContact O-CD 3.45Å; G238-R241 CarbonylContact O-C 3.57Å; G238-R241 PolarHBondContact O-N 3.45Å; G238-R241 VanDerWaalsContact O-O 3.09Å
242V67Low72.4Confident121 Ų121103.9 Ų103.973%0.73359%0.589SS**  trans-114116.9170.9-178.10000109
243I67.2Low73.2Confident129 Ų129104.9 Ų104.966%0.66260%0.602SS**  trans-89.3111.6172.7-59177000107.5
244V66.1Low74.1Confident121 Ų121104.3 Ų104.373%0.73361%0.611SS**PPolyproline II helixtrans-70.5123.3171.91800000107.4F246V244-F246 PolarHBondContact O-N 3.32Å
245P64.4Low74.9Confident115 Ų115105.1 Ų105.175%0.74761%0.609SS**PPolyproline II helixtrans-63.9123.5178.425.8-32.6000109.4
246F66.5Low75.6Confident193 Ų193101.5 Ų101.585%0.84659%0.594SS**PPolyproline II helixtrans-88.9121.1168.8-177.4-92.5000108.6V244V244-F246 PolarHBondContact O-N 3.32Å
247L78.4Confident76Confident138 Ų138105.6 Ų105.672%0.72363%0.625SS**  trans-115.5116.3177.7-173.270.3000108.9C249L247-C249 PolarHBondContact O-N 3.37Å
248A74.7Confident76.6Confident63 Ų63105.2 Ų105.252%0.52163%0.628SS.*  trans-70.4125167.200000108.7
249C80.4Confident76.9Confident120 Ų120110.5 Ų110.581%0.81163%0.63SS**  trans-100131.9178-670000109.9L247L247-C249 PolarHBondContact O-N 3.37Å
250G77.8Confident77.3Confident71 Ų71115.1 Ų115.173%0.73266%0.656SS**SBendtrans118.7170.9-177.700000112.1
251D76.9Confident77.9Confident108 Ų108117.5 Ų117.558%0.57866%0.663SS**  trans-76.7126.8171.1-175.7-11.8000108.9S253 A254D251-S253 PolarHBondContact O-N 3.12Å; D251-S253 VanDerWaalsContact O-N 3.17Å; D251-S253 WeakPolarHBondContact OD1-CB 3.13Å; D251-S253 PolarHBondContact OD1-N 3.42Å; D251-S253 PolarHBondContact OD1-OG 2.79Å; D251-S253 PolarHBondContact OD2-OG 2.92Å; D251-A254 HydrophobicContact CB-CB 4.36Å; D251-A254 WeakPolarHBondContact O-CB 3.42Å; D251-A254 PolarHBondContact O-N 2.94Å
252L78.6Confident78.6Confident166 Ų166117.4 Ų117.487%0.86968%0.675SS**THydrogen-bonded Turntrans-66.1-13.2177.5-65.7176.5000112.8
253S80.5Confident79.5Confident97 Ų97117.2 Ų117.268%0.67867%0.67SS**THydrogen-bonded Turntrans-90.7-0.5172.474.90000114D251D251-S253 PolarHBondContact O-N 3.12Å; D251-S253 VanDerWaalsContact O-N 3.17Å; D251-S253 WeakPolarHBondContact OD1-CB 3.13Å; D251-S253 PolarHBondContact OD1-N 3.42Å; D251-S253 PolarHBondContact OD1-OG 2.79Å; D251-S253 PolarHBondContact OD2-OG 2.92Å
254A81.5Confident80.5Confident64 Ų64115.2 Ų115.253%0.52966%0.658SS.*SBendtrans-68.9171.2178.700000112.8D251 D256D251-A254 HydrophobicContact CB-CB 4.36Å; D251-A254 WeakPolarHBondContact O-CB 3.42Å; D251-A254 PolarHBondContact O-N 2.94Å; A254-D256 PolarHBondContact O-N 2.99Å
255F83.5Confident81.3Confident133 Ų133114.1 Ų114.158%0.58365%0.647SS**PPolyproline II helixtrans-61.6135.1175.2-63.3-67.7000111.4Y261 L265F255-Y261 HydrophobicContact CB-CD2 4.44Å; F255-Y261 HydrophobicContact CB-CE2 3.9Å; F255-Y261 AromaticContact CD1-CD1 3.75Å; F255-Y261 HydrophobicContact CD1-CD1 3.75Å; F255-Y261 AromaticContact CD1-CD2 3.82Å; F255-Y261 HydrophobicContact CD1-CD2 3.82Å; F255-Y261 AromaticContact CD1-CE1 3.68Å; F255-Y261 HydrophobicContact CD1-CE1 3.68Å; F255-Y261 AromaticContact CD1-CE2 3.76Å; F255-Y261 HydrophobicContact CD1-CE2 3.76Å; F255-Y261 AromaticContact CD1-CG 3.81Å; F255-Y261 HydrophobicContact CD1-CG 3.81Å; F255-Y261 AromaticContact CD1-CZ 3.69Å; F255-Y261 AromaticContact CE1-CD1 3.98Å; F255-Y261 HydrophobicContact CE1-CD1 3.98Å; F255-Y261 HydrophobicContact CE1-CE1 4.24Å; F255-Y261 HydrophobicContact CE1-CG 4.15Å; F255-Y261 HydrophobicContact CG-CD2 4.46Å; F255-Y261 HydrophobicContact CG-CE2 4.28Å; F255-L265 HydrophobicContact CE1-CD2 3.84Å; F255-L265 HydrophobicContact CE2-CD1 4.21Å; F255-L265 HydrophobicContact CZ-CB 4.41Å; F255-L265 HydrophobicContact CZ-CD1 3.99Å; F255-L265 HydrophobicContact CZ-CD2 3.77Å; F255-L265 HydrophobicContact CZ-CG 4.28Å
256D84.1Confident82.1Confident68 Ų68112.9 Ų112.936%0.36463%0.634SS.*PPolyproline II helixtrans-80.5122.4173.3177.8-12.7000109.1A254 D258 R259 Y261A254-D256 PolarHBondContact O-N 2.99Å; D256-D258 PolarHBondContact O-N 3.17Å; D256-D258 PolarHBondContact OD1-N 2.96Å; D256-R259 HydrophobicContact CB-CB 4.07Å; D256-R259 HydrophobicContact CB-CG 4.04Å; D256-R259 PolarHBondContact O-N 3.48Å; D256-R259 VanDerWaalsContact O-N 3.12Å; D256-R259 WeakPolarHBondContact OD2-CD 3.35Å; D256-R259 WeakPolarHBondContact OD2-CG 3.11Å; D256-R259 IonicContact OD2-NE 3.33Å; D256-Y261 VanDerWaalsContact CB-OH 3.3Å; D256-Y261 WeakPolarHBondContact CB-OH 3.3Å; D256-Y261 PolarHBondContact N-OH 3.02Å; D256-Y261 WeakPolarHBondContact O-CE2 3.17Å
257S83.6Confident82.6Confident113 Ų113109.3 Ų109.379%0.7964%0.64SS**THydrogen-bonded Turntrans-64.2-22.4-176.253.30000114
258D86.9Confident82.8Confident149 Ų149106.3 Ų106.380%0.79764%0.643SS**THydrogen-bonded Turntrans-93.3-2.4-179.5-65.7-28.1000112.3D256D256-D258 PolarHBondContact O-N 3.17Å; D256-D258 PolarHBondContact OD1-N 2.96Å
259R87.2Confident83.3Confident171 Ų171110.3 Ų110.365%0.64565%0.648SS**SBendtrans-100.6152.3175.9-74.3-178158.1-172.9-4.4112D256 Y261D256-R259 HydrophobicContact CB-CB 4.07Å; D256-R259 HydrophobicContact CB-CG 4.04Å; D256-R259 PolarHBondContact O-N 3.48Å; D256-R259 VanDerWaalsContact O-N 3.12Å; D256-R259 WeakPolarHBondContact OD2-CD 3.35Å; D256-R259 WeakPolarHBondContact OD2-CG 3.11Å; D256-R259 IonicContact OD2-NE 3.33Å; R259-Y261 HydrophobicContact CB-CE2 3.72Å
260T89.3Confident83.6Confident144 Ų144113.2 Ų113.288%0.88365%0.65SS**  trans-100.1136.7169.1-52.90000109.4
261Y87.4Confident84.1Confident84 Ų84115.1 Ų115.133%0.32964%0.636SS.*  trans-118.4155.3179.7-62.8-87.4000110.6F255 D256 R259F255-Y261 HydrophobicContact CB-CD2 4.44Å; F255-Y261 HydrophobicContact CB-CE2 3.9Å; F255-Y261 AromaticContact CD1-CD1 3.75Å; F255-Y261 HydrophobicContact CD1-CD1 3.75Å; F255-Y261 AromaticContact CD1-CD2 3.82Å; F255-Y261 HydrophobicContact CD1-CD2 3.82Å; F255-Y261 AromaticContact CD1-CE1 3.68Å; F255-Y261 HydrophobicContact CD1-CE1 3.68Å; F255-Y261 AromaticContact CD1-CE2 3.76Å; F255-Y261 HydrophobicContact CD1-CE2 3.76Å; F255-Y261 AromaticContact CD1-CG 3.81Å; F255-Y261 HydrophobicContact CD1-CG 3.81Å; F255-Y261 AromaticContact CD1-CZ 3.69Å; F255-Y261 AromaticContact CE1-CD1 3.98Å; F255-Y261 HydrophobicContact CE1-CD1 3.98Å; F255-Y261 HydrophobicContact CE1-CE1 4.24Å; F255-Y261 HydrophobicContact CE1-CG 4.15Å; F255-Y261 HydrophobicContact CG-CD2 4.46Å; F255-Y261 HydrophobicContact CG-CE2 4.28Å; D256-Y261 VanDerWaalsContact CB-OH 3.3Å; D256-Y261 WeakPolarHBondContact CB-OH 3.3Å; D256-Y261 PolarHBondContact N-OH 3.02Å; D256-Y261 WeakPolarHBondContact O-CE2 3.17Å; R259-Y261 HydrophobicContact CB-CE2 3.72Å
262P88.8Confident84.6Confident97 Ų97117.4 Ų117.463%0.6364%0.643SS**  trans-57.4147.1170-22.333.7000111.5Q264 L265P262-Q264 PolarHBondContact O-N 2.88Å; P262-L265 WeakPolarHBondContact O-CD2 3.4Å
263L86.6Confident85.1Confident117 Ų117116.9 Ų116.961%0.61363%0.631SS**SBendtrans-61.6-30.1176.9-65.5176.5000112.5L265 Y271L263-L265 PolarHBondContact O-N 3.06Å; L263-Y271 HydrophobicContact CB-CD1 4.11Å; L263-Y271 HydrophobicContact CB-CD2 3.87Å; L263-Y271 HydrophobicContact CB-CE1 4.46Å; L263-Y271 HydrophobicContact CB-CE2 4.25Å; L263-Y271 HydrophobicContact CB-CG 3.79Å; L263-Y271 HydrophobicContact CD1-CD1 4.1Å; L263-Y271 HydrophobicContact CD1-CE1 3.91Å; L263-Y271 HydrophobicContact CD2-CD2 4.44Å; L263-Y271 HydrophobicContact CD2-CE1 4.45Å; L263-Y271 HydrophobicContact CD2-CE2 3.97Å; L263-Y271 WeakPolarHBondContact O-CD2 3.47Å
264Q87.1Confident85.5Confident87 Ų87118.3 Ų118.341%0.40763%0.63SS.*  trans-84.893.6176-171.365.12900109.8P262 D266 K269P262-Q264 PolarHBondContact O-N 2.88Å; Q264-D266 PolarHBondContact NE2-O 3.39Å; Q264-K269 PolarHBondContact NE2-O 3.26Å
265L83.3Confident85.8Confident98 Ų98119.2 Ų119.251%0.51363%0.63SS.*  trans-89.5-42.6-177-61.8176.1000112.9F255 P262 L263F255-L265 HydrophobicContact CE1-CD2 3.84Å; F255-L265 HydrophobicContact CE2-CD1 4.21Å; F255-L265 HydrophobicContact CZ-CB 4.41Å; F255-L265 HydrophobicContact CZ-CD1 3.99Å; F255-L265 HydrophobicContact CZ-CD2 3.77Å; F255-L265 HydrophobicContact CZ-CG 4.28Å; P262-L265 WeakPolarHBondContact O-CD2 3.4Å; L263-L265 PolarHBondContact O-N 3.06Å
266D80.6Confident85.9Confident90 Ų90117 Ų11748%0.48163%0.629SS.*SBendtrans-102.7130.2-178.7-71.3-23.9000110.4Q264 G268 K269Q264-D266 PolarHBondContact NE2-O 3.39Å; D266-G268 PolarHBondContact O-N 2.84Å; D266-K269 HydrophobicContact CB-CB 4.21Å; D266-K269 PolarHBondContact O-N 3.39Å; D266-K269 IonicContact OD2-NZ 3.53Å
267A77.2Confident86.2Confident117 Ų117121.2 Ų121.297%0.96766%0.658SS**THydrogen-bonded Turntrans-62.8-14.4177.700000114
268G83.1Confident86.5Confident76 Ų76123 Ų12378%0.78465%0.653SS**THydrogen-bonded Turntrans-109.13.5-178.100000115.8D266D266-G268 PolarHBondContact O-N 2.84Å
269K84.7Confident86.4Confident146 Ų146120.3 Ų120.364%0.63564%0.644SS**SBendtrans-137.8113.1-178.5-67.1-179.9-176.3165.20111Q264 D266Q264-K269 PolarHBondContact NE2-O 3.26Å; D266-K269 HydrophobicContact CB-CB 4.21Å; D266-K269 PolarHBondContact O-N 3.39Å; D266-K269 IonicContact OD2-NZ 3.53Å
270E86.1Confident86.3Confident181 Ų181115.8 Ų115.885%0.84664%0.637SS**  trans-61.1140.9172.6-72.1-171163.900111.1E272E270-E272 PolarHBondContact O-N 2.87Å
271Y88.4Confident86.2Confident111 Ų111116.1 Ų116.144%0.43563%0.632SS.*  trans-63.9121.3173.2174.1-97.6000110.9L263L263-Y271 HydrophobicContact CB-CD1 4.11Å; L263-Y271 HydrophobicContact CB-CD2 3.87Å; L263-Y271 HydrophobicContact CB-CE1 4.46Å; L263-Y271 HydrophobicContact CB-CE2 4.25Å; L263-Y271 HydrophobicContact CB-CG 3.79Å; L263-Y271 HydrophobicContact CD1-CD1 4.1Å; L263-Y271 HydrophobicContact CD1-CE1 3.91Å; L263-Y271 HydrophobicContact CD2-CD2 4.44Å; L263-Y271 HydrophobicContact CD2-CE1 4.45Å; L263-Y271 HydrophobicContact CD2-CE2 3.97Å; L263-Y271 WeakPolarHBondContact O-CD2 3.47Å
272E89.2Confident86.1Confident156 Ų156121.7 Ų121.773%0.72965%0.652SS**  trans-111.1125.3169.9-171.5178.3179.400109.4E270 I274E270-E272 PolarHBondContact O-N 2.87Å; E272-I274 PolarHBondContact O-N 3.12Å
273Y88.8Confident86Confident155 Ų155118.1 Ų118.161%0.60863%0.629SS**  trans-71.4117.5175.4174-98.2000110.1P275Y273-P275 HydrophobicContact CE1-CB 4.3Å
274I87.7Confident85.9Confident128 Ų128118.9 Ų118.966%0.65664%0.641SS**  trans-106.6125.8172-55.5175.1000107.7E272E272-I274 PolarHBondContact O-N 3.12Å
275P87.8Confident85.8Confident82 Ų82120.9 Ų120.953%0.53265%0.646SS.*  trans-62.1151.3175.427-34000110.5Y273 T277Y273-P275 HydrophobicContact CE1-CB 4.3Å; P275-T277 PolarHBondContact O-N 3.22Å
276P85.9Confident86Confident87 Ų87120.8 Ų120.857%0.56564%0.643SS**  trans-52.6135.8176.8-24.532.6000111.3Q278P276-Q278 PolarHBondContact O-N 2.87Å
277T90.2Very high86.3Confident157 Ų157123.3 Ų123.396%0.96365%0.651SS**SBendtrans-52.5-33.5-179.3-43.60000112.2P275P275-T277 PolarHBondContact O-N 3.22Å
278Q90.1Very high86.6Confident149 Ų149120.2 Ų120.270%0.69663%0.626SS**SBendtrans-142.2119.7171.5-171.517115.600110P276P276-Q278 PolarHBondContact O-N 2.87Å
279P84.8Confident86.6Confident94 Ų94119 Ų11961%0.6161%0.605SS**  trans-70.7154.8173.629.3-33.5000110.8I281P279-I281 PolarHBondContact O-N 3.43Å
280P84.6Confident86.7Confident75 Ų75116.4 Ų116.449%0.48760%0.595SS.*  trans-55.5130.9173.9-23.432.8000111.3R282 P283P280-R282 VanDerWaalsContact C-N 3.25Å; P280-R282 PolarHBondContact O-N 3.1Å; P280-P283 HydrophobicContact CB-CB 4.08Å; P280-P283 HydrophobicContact CG-CB 4.46Å
281I87.9Confident86.8Confident152 Ų152112 Ų11278%0.77957%0.573SS**SBendtrans-63.8-35.2179.4-62.6163000111P279P279-I281 PolarHBondContact O-N 3.43Å
282R86.4Confident86.6Confident200 Ų200115.2 Ų115.276%0.75559%0.585SS**SBendtrans-138.491.4170.9-68.6-166.5-19.5153.612.1109.7P280P280-R282 VanDerWaalsContact C-N 3.25Å; P280-R282 PolarHBondContact O-N 3.1Å
283P85.8Confident86.6Confident23 Ų23116.4 Ų116.415%0.14959%0.587CS.*  trans-67.6143.8-179.722.9-26.8000110.6P280 Y285 E286P280-P283 HydrophobicContact CB-CB 4.08Å; P280-P283 HydrophobicContact CG-CB 4.46Å; P283-Y285 HydrophobicContact CB-CD1 3.83Å; P283-Y285 HydrophobicContact CB-CD2 3.8Å; P283-Y285 HydrophobicContact CB-CE1 3.45Å; P283-Y285 VanDerWaalsContact CB-CE1 3.45Å; P283-Y285 HydrophobicContact CB-CE2 3.43Å; P283-Y285 VanDerWaalsContact CB-CE2 3.43Å; P283-Y285 HydrophobicContact CB-CG 4Å; P283-Y285 HydrophobicContact CG-CD2 4.03Å; P283-Y285 HydrophobicContact CG-CE2 3.6Å; P283-Y285 PolarHBondContact O-N 3.33Å; P283-E286 HydrophobicContact CG-CB 4.01Å; P283-E286 WeakPolarHBondContact O-CB 3.4Å; P283-E286 PolarHBondContact O-N 3.41Å
284P84.4Confident86.6Confident133 Ų133113.9 Ų113.986%0.86458%0.581SS**THydrogen-bonded Turntrans-60.3-20.8177.421.1-30.4000113.1
285Y85.8Confident86.4Confident128 Ų128113.5 Ų113.550%0.50258%0.58SS.*THydrogen-bonded Turntrans-883.7174.255.2-100.5000114.2P283 Q287 A288 C289P283-Y285 HydrophobicContact CB-CD1 3.83Å; P283-Y285 HydrophobicContact CB-CD2 3.8Å; P283-Y285 HydrophobicContact CB-CE1 3.45Å; P283-Y285 VanDerWaalsContact CB-CE1 3.45Å; P283-Y285 HydrophobicContact CB-CE2 3.43Å; P283-Y285 VanDerWaalsContact CB-CE2 3.43Å; P283-Y285 HydrophobicContact CB-CG 4Å; P283-Y285 HydrophobicContact CG-CD2 4.03Å; P283-Y285 HydrophobicContact CG-CE2 3.6Å; P283-Y285 PolarHBondContact O-N 3.33Å; Y285-Q287 VanDerWaalsContact C-N 3.32Å; Y285-Q287 PolarHBondContact O-N 2.83Å; Y285-A288 PolarHBondContact O-N 3.22Å; Y285-A288 VanDerWaalsContact O-N 3.1Å; Y285-C289 PolarHBondContact O-N 3.41Å
286E87.6Confident86.1Confident97 Ų97114.7 Ų114.745%0.45358%0.581SS.*Hα-helixtrans-55.1-45.9-178-176.2175.3-164.200112.1P283 C289 H290P283-E286 HydrophobicContact CG-CB 4.01Å; P283-E286 WeakPolarHBondContact O-CB 3.4Å; P283-E286 PolarHBondContact O-N 3.41Å; E286-C289 PolarHBondContact O-N 2.8Å; E286-H290 WeakPolarHBondContact O-CB 3.27Å; E286-H290 PolarHBondContact O-N 3.48Å
287Q85.4Confident85.8Confident142 Ų142114.6 Ų114.666%0.66458%0.576SS**Hα-helixtrans-64.2-41.9176.5-72.6-176.3-6.500112.2Y285 H290 F291Y285-Q287 VanDerWaalsContact C-N 3.32Å; Y285-Q287 PolarHBondContact O-N 2.83Å; Q287-H290 WeakPolarHBondContact O-CB 3.42Å; Q287-H290 PolarHBondContact O-N 3.41Å; Q287-F291 WeakPolarHBondContact O-CB 3.45Å; Q287-F291 WeakPolarHBondContact O-CD2 3.45Å; Q287-F291 VanDerWaalsContact O-CG 3.24Å; Q287-F291 WeakPolarHBondContact O-CG 3.34Å; Q287-F291 PolarHBondContact O-N 2.67Å
288A83.8Confident85.1Confident52 Ų52112.8 Ų112.843%0.4357%0.57SS.*Hα-helixtrans-64.9-42177.500000111.4Y285 F291 R292Y285-A288 PolarHBondContact O-N 3.22Å; Y285-A288 VanDerWaalsContact O-N 3.1Å; A288-F291 PolarHBondContact O-N 3.3Å; A288-R292 WeakPolarHBondContact O-CB 3.24Å; A288-R292 PolarHBondContact O-N 2.99Å
289C82.6Confident84.1Confident51 Ų51114.9 Ų114.935%0.34557%0.571SS.*Hα-helixtrans-64-40.3173.1-74.90000112Y285 E286 R292 K293Y285-C289 PolarHBondContact O-N 3.41Å; E286-C289 PolarHBondContact O-N 2.8Å; C289-R292 PolarHBondContact O-N 3.27Å; C289-K293 VanDerWaalsContact O-CB 3.27Å; C289-K293 WeakPolarHBondContact O-CB 3.49Å; C289-K293 PolarHBondContact O-N 3.46Å
290H87.6Confident82.9Confident92 Ų92119.4 Ų119.443%0.42658%0.584SS.*Hα-helixtrans-61.2-49.2174.2178.7-82.9000111E286 Q287 R292 K293 H294E286-H290 WeakPolarHBondContact O-CB 3.27Å; E286-H290 PolarHBondContact O-N 3.48Å; Q287-H290 WeakPolarHBondContact O-CB 3.42Å; Q287-H290 PolarHBondContact O-N 3.41Å; H290-R292 VanDerWaalsContact C-N 3.35Å; H290-R292 PolarHBondContact O-N 2.82Å; H290-K293 PolarHBondContact O-N 3.26Å; H290-H294 AromaticContact CD2-CE1 3.41Å; H290-H294 PolarHBondContact CD2-CE1 3.36Å; H290-H294 VanDerWaalsContact CD2-CE1 3.41Å; H290-H294 AromaticContact CD2-ND1 3.57Å; H290-H294 AromaticContact CE1-CE1 3.77Å; H290-H294 AromaticContact CE1-ND1 3.48Å; H290-H294 PolarHBondContact CE1-ND1 3.02Å; H290-H294 AromaticContact CG-ND1 3.72Å; H290-H294 AromaticContact ND1-ND1 3.68Å; H290-H294 AromaticContact NE2-CE1 3.22Å; H290-H294 PolarHBondContact NE2-CE1 3.49Å; H290-H294 AromaticContact NE2-ND1 3.41Å; H290-H294 PolarHBondContact NE2-ND1 3.41Å; H290-H294 PolarHBondContact O-N 2.86Å; H290-H294 PolarHBondContact O-ND1 3.3Å
291F88.1Confident81.5Confident88 Ų88123.5 Ų123.539%0.38660%0.602SS.*Hα-helixtrans-62.1-41.9177.2-65.1-25000111.9Q287 A288 K293 H294 N295 L296 L297Q287-F291 WeakPolarHBondContact O-CB 3.45Å; Q287-F291 WeakPolarHBondContact O-CD2 3.45Å; Q287-F291 VanDerWaalsContact O-CG 3.24Å; Q287-F291 WeakPolarHBondContact O-CG 3.34Å; Q287-F291 PolarHBondContact O-N 2.67Å; A288-F291 PolarHBondContact O-N 3.3Å; F291-K293 PolarHBondContact O-N 2.82Å; F291-H294 CarbonylContact O-C 3.55Å; F291-H294 PolarHBondContact O-N 3.3Å; F291-N295 PolarHBondContact O-N 2.81Å; F291-L296 HydrophobicContact CB-CB 4.09Å; F291-L296 HydrophobicContact CD1-CB 3.99Å; F291-L296 HydrophobicContact CD1-CD1 3.96Å; F291-L296 HydrophobicContact CG-CB 4.31Å; F291-L296 PolarHBondContact O-N 3.03Å; F291-L297 HydrophobicContact CB-CD2 3.64Å; F291-L297 HydrophobicContact CB-CG 3.83Å; F291-L297 HydrophobicContact CD2-CD2 4.34Å
292R84.1Confident80Confident179 Ų179120.4 Ų120.468%0.67560%0.599SS**Hα-helixtrans-61-45.6174.9-165.7176.172.4178.92.8111.8A288 C289 H290 H294 N295 L297A288-R292 WeakPolarHBondContact O-CB 3.24Å; A288-R292 PolarHBondContact O-N 2.99Å; C289-R292 PolarHBondContact O-N 3.27Å; H290-R292 VanDerWaalsContact C-N 3.35Å; H290-R292 PolarHBondContact O-N 2.82Å; R292-H294 VanDerWaalsContact C-N 3.29Å; R292-H294 PolarHBondContact O-N 3.31Å; R292-N295 PolarHBondContact O-N 3.16Å; R292-L297 HydrophobicContact CB-CD1 3.65Å; R292-L297 HydrophobicContact CB-CG 4.49Å; R292-L297 HydrophobicContact CG-CD1 3.97Å
293K88.5Confident78.5Confident180 Ų180116 Ų11678%0.78360%0.596SS**Hα-helixtrans-64.8-33.4-179.4-170.1177-178.3-178.40112.4C289 H290 F291C289-K293 VanDerWaalsContact O-CB 3.27Å; C289-K293 WeakPolarHBondContact O-CB 3.49Å; C289-K293 PolarHBondContact O-N 3.46Å; H290-K293 PolarHBondContact O-N 3.26Å; F291-K293 PolarHBondContact O-N 2.82Å
294H89.4Confident76.5Confident102 Ų102120.7 Ų120.747%0.47263%0.626SS.*THydrogen-bonded Turntrans-98.110.8180-6289.9000113.5H290 F291 R292 L296H290-H294 AromaticContact CD2-CE1 3.41Å; H290-H294 PolarHBondContact CD2-CE1 3.36Å; H290-H294 VanDerWaalsContact CD2-CE1 3.41Å; H290-H294 AromaticContact CD2-ND1 3.57Å; H290-H294 AromaticContact CE1-CE1 3.77Å; H290-H294 AromaticContact CE1-ND1 3.48Å; H290-H294 PolarHBondContact CE1-ND1 3.02Å; H290-H294 AromaticContact CG-ND1 3.72Å; H290-H294 AromaticContact ND1-ND1 3.68Å; H290-H294 AromaticContact NE2-CE1 3.22Å; H290-H294 PolarHBondContact NE2-CE1 3.49Å; H290-H294 AromaticContact NE2-ND1 3.41Å; H290-H294 PolarHBondContact NE2-ND1 3.41Å; H290-H294 PolarHBondContact O-N 2.86Å; H290-H294 PolarHBondContact O-ND1 3.3Å; F291-H294 CarbonylContact O-C 3.55Å; F291-H294 PolarHBondContact O-N 3.3Å; R292-H294 VanDerWaalsContact C-N 3.29Å; R292-H294 PolarHBondContact O-N 3.31Å; H294-L296 HydrophobicContact CB-CD1 3.73Å; H294-L296 HydrophobicContact CB-CG 3.81Å; H294-L296 PolarHBondContact O-N 3.26Å; H294-L296 VanDerWaalsContact O-N 3.16Å
295N84.7Confident75Confident120 Ų120122.4 Ų122.464%0.64263%0.627SS**THydrogen-bonded Turntrans54.529.5-177.2-102.3-25.4000113.8F291 R292 R299F291-N295 PolarHBondContact O-N 2.81Å; R292-N295 PolarHBondContact O-N 3.16Å; N295-R299 PolarHBondContact OD1-NH2 3.34Å
296L81.4Confident72.9Confident108 Ų108120.7 Ų120.757%0.56563%0.634SS**  trans-90.8-1179.6-60.7170.3000112.9F291 H294F291-L296 HydrophobicContact CB-CB 4.09Å; F291-L296 HydrophobicContact CD1-CB 3.99Å; F291-L296 HydrophobicContact CD1-CD1 3.96Å; F291-L296 HydrophobicContact CG-CB 4.31Å; F291-L296 PolarHBondContact O-N 3.03Å; H294-L296 HydrophobicContact CB-CD1 3.73Å; H294-L296 HydrophobicContact CB-CG 3.81Å; H294-L296 PolarHBondContact O-N 3.26Å; H294-L296 VanDerWaalsContact O-N 3.16Å
297L79.3Confident70.8Confident84 Ų84121.8 Ų121.844%0.4465%0.649SS.*SBendtrans-73.2131.1171.4-67.8174.6000109F291 R292 R299F291-L297 HydrophobicContact CB-CD2 3.64Å; F291-L297 HydrophobicContact CB-CG 3.83Å; F291-L297 HydrophobicContact CD2-CD2 4.34Å; R292-L297 HydrophobicContact CB-CD1 3.65Å; R292-L297 HydrophobicContact CB-CG 4.49Å; R292-L297 HydrophobicContact CG-CD1 3.97Å; L297-R299 PolarHBondContact O-N 3.17Å; L297-R299 VanDerWaalsContact O-N 3.17Å
298S74.9Confident68.7Low120 Ų120122.9 Ų122.984%0.83966%0.658SS**PPolyproline II helixtrans-55.9120.1170.6500000109.1
299R68.7Low66.6Low192 Ų192128.6 Ų128.673%0.72568%0.675SS**PPolyproline II helixtrans-78.4132.3165.4-65.2-176178.2-175.6-0.9106.6N295 L297 D301N295-R299 PolarHBondContact OD1-NH2 3.34Å; L297-R299 PolarHBondContact O-N 3.17Å; L297-R299 VanDerWaalsContact O-N 3.17Å; R299-D301 PolarHBondContact O-N 3.27Å
300E59.8Low64.9Low190 Ų190131.3 Ų131.389%0.88870%0.695SS**PPolyproline II helixtrans-61.5124.1165.1-75.6179.1157.200107.5A302E300-A302 VanDerWaalsContact C-N 3.28Å; E300-A302 PolarHBondContact O-N 2.88Å
301D55.5Low62.5Low161 Ų161135.7 Ų135.786%0.86172%0.715SS**  trans-64.394.2168.7-73.1-41.6000107.3R299R299-D301 PolarHBondContact O-N 3.27Å
302A55.5Low60.4Low86 Ų86139.2 Ų139.271%0.71173%0.733SS**PPolyproline II helixtrans-60.4125.8170.500000107.8E300E300-A302 VanDerWaalsContact C-N 3.28Å; E300-A302 PolarHBondContact O-N 2.88Å
303P54.9Low58.1Low109 Ų109140 Ų14071%0.70874%0.744SS**PPolyproline II helixtrans-60.2146.5176.523.9-31.2000109.6I305P303-I305 PolarHBondContact O-N 3.05Å
304P44.8Very low55.7Low120 Ų120141.3 Ų141.378%0.77974%0.744SS**PPolyproline II helixtrans-60.4124-177.523.2-31.1000109.7S306P304-S306 PolarHBondContact O-N 3.17Å
305I51.8Low53.2Low169 Ų169144.9 Ų144.987%0.86776%0.761SS**  trans-65.6105.9169.7-59.4172.1000106.7P303P303-I305 PolarHBondContact O-N 3.05Å
306S42.9Very low51.2Low93 Ų93144.3 Ų144.365%0.6576%0.764SS**  trans-63.3137170.3-0.20000109.2P304 I308P304-S306 PolarHBondContact O-N 3.17Å; S306-I308 PolarHBondContact O-N 3.15Å; S306-I308 VanDerWaalsContact O-N 3.15Å
307P42.4Very low49.5Very low119 Ų119143.7 Ų143.777%0.77377%0.774SS**  trans-66.9118.7174.213.3-6.7000108.3H309P307-H309 PolarHBondContact O-N 2.99Å
308I42Very low47.5Very low166 Ų166149.4 Ų149.485%0.85180%0.796SS**  trans-64.1104.8168.9-63.4171.1000106.2S306 S310S306-I308 PolarHBondContact O-N 3.15Å; S306-I308 VanDerWaalsContact O-N 3.15Å; I308-S310 PolarHBondContact O-N 3.16Å; I308-S310 VanDerWaalsContact O-N 3.16Å
309H40.5Very low45.9Very low172 Ų172149.9 Ų149.980%0.79679%0.794SS**  trans-64.3113.9168.5-115.9-54.4000107.9P307 Q311P307-H309 PolarHBondContact O-N 2.99Å; H309-Q311 PolarHBondContact O-N 3.2Å
310S45.9Very low44.7Very low107 Ų107150.1 Ų150.175%0.74883%0.825SS**  trans-57.9110.9160.847.80000109.3I308I308-S310 PolarHBondContact O-N 3.16Å; I308-S310 VanDerWaalsContact O-N 3.16Å
311Q37.5Very low44Very low185 Ų185148.1 Ų148.186%0.86482%0.822SS**  trans-123.5106.4150.2-77.8-167.2-21.800107.9H309 E313H309-Q311 PolarHBondContact O-N 3.2Å; Q311-E313 PolarHBondContact O-N 3.49Å
312E43.8Very low43.4Very low162 Ų162147.4 Ų147.476%0.75782%0.819SS**  trans-55.4124.6155.2-76.2176.6115.400108.7
313E36.3Very low42.7Very low194 Ų194150.8 Ų150.891%0.90783%0.825SS**  trans-131.4110.4141-94.5-174.1168.300108.5Q311Q311-E313 PolarHBondContact O-N 3.49Å
314R37.9Very low42Very low208 Ų208153.3 Ų153.379%0.78583%0.832SS**  trans-61.2144160.4-63172.8-177.9-159.1-0.9107.5
315E36.9Very low41.8Very low177 Ų177155.4 Ų155.483%0.82784%0.836SS**  166.5172.193.3-114.2-170.9-179.400108.9
316P42.8Very low41.2Very low108 Ų108154.5 Ų154.570%0.70183%0.834SS**  -121.5173-69.427.3-5.1000111.8
317A45.6Very low41Very low95 Ų95158.9 Ų158.979%0.78585%0.847SS**  trans-62.213917200000113.1
318K37.4Very low40.9Very low205 Ų205161.9 Ų161.989%0.89185%0.852SS**  trans-140.4118.9146.4-78.5-167.6180174.80111.4
319T41Very low40.8Very low130 Ų130161.6 Ų161.680%0.79885%0.853SS**  trans-42.4139160.841.80000115.1
320S44.5Very low40.9Very low196 Ų196160.6 Ų160.6100%1.37186%0.858SS**  -175.10113.3-62.70000108.9

Retrieved 320 of 320 residues in 71 ms (Link to these results)

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