A0A096M7L8_POEFO Loading...

Dynein axonemal assembly factor 3

Required for the assembly of axonemal inner and outer dynein arms. Involved in preassembly of dyneins into complexes before their transport into cilia.

AlphaFold DB , UniProt , Accession A0A096M7L8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 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
1M30.4Very low55.9Low248 Ų24883.1 Ų83.1100%1.22248%0.484SS*.  084.40-78-106.7-83.300108.9
2S30.6Very low58.6Low106 Ų10690.4 Ų90.474%0.74150%0.498SS*.  trans-154.679177.259.10000108.9G4S2-G4 VanDerWaalsContact C-N 3.34Å; S2-G4 PolarHBondContact O-N 3.3Å
3A29.5Very low61.2Low96 Ų9684.6 Ų84.679%0.79347%0.466SS*.  trans-98.666.7172.200000109.3
4G39.3Very low63.4Low33 Ų3379.8 Ų79.834%0.3444%0.442SS..SBendtrans-156.5134.3167.200000105.4S2 V6S2-G4 VanDerWaalsContact C-N 3.34Å; S2-G4 PolarHBondContact O-N 3.3Å; G4-V6 PolarHBondContact O-N 3.43Å
5R47.7Very low65.5Low204 Ų20474.5 Ų74.577%0.7741%0.412SS*.  trans-56.8132.7-178-75.4178.3175.2176.3-1.8109S7 E8R5-S7 PolarHBondContact O-N 3.25Å; R5-E8 HydrophobicContact CB-CG 4.27Å; R5-E8 PolarHBondContact O-N 3.32Å
6V45.4Very low67.3Low104 Ų10470 Ų7063%0.6339%0.387SS*.THydrogen-bonded Turntrans-53.1123.9179.7-176.90000108.6G4G4-V6 PolarHBondContact O-N 3.43Å
7S55.7Low68.6Low52 Ų5266 Ų6636%0.36437%0.366SS..THydrogen-bonded Turntrans78.922.7174.3-161.90000119.1R5 G9R5-S7 PolarHBondContact O-N 3.25Å; S7-G9 VanDerWaalsContact C-N 3.29Å; S7-G9 PolarHBondContact O-N 3.19Å
8E74.6Confident69.9Low44 Ų4462.6 Ų62.621%0.20635%0.347CS..THydrogen-bonded Turntrans-71.7-19.3169.6-79.4-167.8178.900114.3R5 R176 Q179R5-E8 HydrophobicContact CB-CG 4.27Å; R5-E8 PolarHBondContact O-N 3.32Å; E8-R176 PolarHBondContact O-NH2 3.42Å; E8-Q179 WeakPolarHBondContact OE2-CB 3.26Å
9G85Confident71.2Confident0 Ų059.3 Ų59.30%033%0.328CS..THydrogen-bonded Turntrans-70.9-54.6-177.200000112.7S7 G11 R176 D259 I260 V261 D409S7-G9 VanDerWaalsContact C-N 3.29Å; S7-G9 PolarHBondContact O-N 3.19Å; G9-G11 PolarHBondContact O-N 3.45Å; G9-G11 VanDerWaalsContact O-N 3.13Å; G9-R176 PolarHBondContact O-NH2 3.41Å; G9-D259 WeakPolarHBondContact O-CA 3.45Å; G9-I260 WeakPolarHBondContact O-CG1 3.49Å; G9-I260 PolarHBondContact O-N 3.23Å; G9-V261 VanDerWaalsContact CA-CG2 3.48Å; G9-D409 WeakPolarHBondContact CA-OD2 3.4Å; G9-D409 PolarHBondContact N-OD2 3.32Å
10A87.5Confident72.4Confident9 Ų956.6 Ų56.67%0.07431%0.313CS..THydrogen-bonded Turntrans-60-22.8178.200000113.6F18 G258 D259 I407A10-F18 HydrophobicContact CB-CE1 4.5Å; A10-F18 HydrophobicContact CB-CZ 4.01Å; A10-G258 CarbonylContact O-C 3.5Å; A10-D259 WeakPolarHBondContact O-CA 3.42Å; A10-D259 PolarHBondContact O-N 2.85Å; A10-I407 HydrophobicContact CB-CG2 4.38Å
11G89.3Confident73.5Confident18 Ų1854.7 Ų54.719%0.18631%0.305CS..  trans78.3-169.1177.400000114.3G9 W257G9-G11 PolarHBondContact O-N 3.45Å; G9-G11 VanDerWaalsContact O-N 3.13Å; G11-W257 CarbonylContact C-O 3.56Å; G11-W257 WeakPolarHBondContact CA-O 3.34Å
12W88.5Confident76.6Confident171 Ų17144.6 Ų44.665%0.64825%0.253SS*.SBendtrans-103.5-17.6-176.7-82.957.9000112.8R241 W257W12-R241 VanDerWaalsContact CD1-CZ 3.42Å; W12-W257 PolarHBondContact N-O 3.35Å
13V92.4Very high79.6Confident15 Ų1540.4 Ų40.49%0.09122%0.222CC..SBendtrans-123.6118.3178.2-174.20000108.7W15 V73 S239 W257 G258V13-W15 HydrophobicContact CB-CD2 4.29Å; V13-W15 HydrophobicContact CB-CZ2 4.09Å; V13-W15 HydrophobicContact CG1-CD2 3.6Å; V13-W15 HydrophobicContact CG1-CE3 3.58Å; V13-W15 HydrophobicContact CG1-CG 4.38Å; V13-W15 HydrophobicContact CG1-CH2 3.75Å; V13-W15 HydrophobicContact CG1-CZ2 3.73Å; V13-W15 HydrophobicContact CG1-CZ3 3.66Å; V13-W15 HydrophobicContact CG2-CZ2 4.45Å; V13-W15 PolarHBondContact O-N 2.7Å; V13-W15 VanDerWaalsContact O-N 3.08Å; V13-V73 HydrophobicContact CG1-CG2 3.56Å; V13-S239 WeakPolarHBondContact CG2-OG 3.28Å; V13-W257 HydrophobicContact CG2-CB 4.38Å; V13-W257 PolarHBondContact N-O 2.83Å; V13-G258 VanDerWaalsContact O-CA 3.28Å; V13-G258 WeakPolarHBondContact O-CA 3.15Å
14S92.4Very high82.6Confident17 Ų1735.8 Ų35.812%0.11919%0.185CC..  trans-78.487.4172.7-59.10000109.4W16 G44S14-W16 VanDerWaalsContact C-N 3.26Å; S14-G44 VanDerWaalsContact O-CA 3.28Å; S14-G44 WeakPolarHBondContact O-CA 3.29Å
15W94.9Very high85.1Confident1 Ų135.5 Ų35.50%0.00418%0.175CC..SBendtrans-70.1-26.2175.4-61.3129.2000112.6V13 D72 V73 R76 L237 Y256V13-W15 HydrophobicContact CB-CD2 4.29Å; V13-W15 HydrophobicContact CB-CZ2 4.09Å; V13-W15 HydrophobicContact CG1-CD2 3.6Å; V13-W15 HydrophobicContact CG1-CE3 3.58Å; V13-W15 HydrophobicContact CG1-CG 4.38Å; V13-W15 HydrophobicContact CG1-CH2 3.75Å; V13-W15 HydrophobicContact CG1-CZ2 3.73Å; V13-W15 HydrophobicContact CG1-CZ3 3.66Å; V13-W15 HydrophobicContact CG2-CZ2 4.45Å; V13-W15 PolarHBondContact O-N 2.7Å; V13-W15 VanDerWaalsContact O-N 3.08Å; W15-D72 HydrophobicContact CH2-CB 3.76Å; W15-D72 HydrophobicContact CZ3-CB 4.02Å; W15-V73 HydrophobicContact CE3-CG2 4.26Å; W15-V73 HydrophobicContact CZ3-CG2 4.09Å; W15-R76 PolarHBondContact O-NH1 2.92Å; W15-R76 PolarHBondContact O-NH2 3.31Å; W15-L237 HydrophobicContact CB-CD2 3.74Å; W15-L237 HydrophobicContact CD2-CD2 4.07Å; W15-L237 HydrophobicContact CG-CD2 3.61Å; W15-L237 WeakPolarHBondContact CZ2-O 3.44Å; W15-L237 PolarHBondContact NE1-O 3.37Å; W15-Y256 AromaticContact CD1-CE2 3.74Å; W15-Y256 AromaticContact NE1-CE2 3.8Å
16W93.7Very high87.1Confident2 Ų229.5 Ų29.51%0.00816%0.164CC..SBendtrans-134.5154.3166.65081000106.8S14 D45 F104 W216 L237 Y256 D259 P264S14-W16 VanDerWaalsContact C-N 3.26Å; W16-D45 VanDerWaalsContact CA-OD2 3.23Å; W16-D45 WeakPolarHBondContact CA-OD2 3.33Å; W16-F104 HydrophobicContact CB-CE1 4.41Å; W16-F104 HydrophobicContact CB-CE2 3.92Å; W16-F104 HydrophobicContact CB-CZ 3.56Å; W16-F104 HydrophobicContact CG-CZ 4.49Å; W16-W216 HydrophobicContact CH2-CZ2 4.2Å; W16-W216 AromaticContact CZ2-CZ2 3.78Å; W16-W216 HydrophobicContact CZ2-CZ2 3.78Å; W16-L237 HydrophobicContact CZ3-CD2 4.45Å; W16-Y256 VanDerWaalsContact CH2-OH 3.23Å; W16-Y256 WeakPolarHBondContact CH2-OH 3.05Å; W16-D259 HydrophobicContact CZ2-CB 3.8Å; W16-D259 WeakPolarHBondContact CZ2-O 3.24Å; W16-D259 PolarHBondContact NE1-OD2 2.86Å; W16-P264 HydrophobicContact CD2-CB 3.89Å; W16-P264 HydrophobicContact CE3-CB 4.02Å; W16-P264 HydrophobicContact CG-CB 4.26Å; W16-P264 HydrophobicContact CZ3-CB 4.41Å
17G88.9Confident89Confident2 Ų225.9 Ų25.92%0.02114%0.141CC..  trans-83.7172.8172.900000112.9S19 D45 R47G17-S19 VanDerWaalsContact C-N 3.34Å; G17-S19 PolarHBondContact O-N 2.88Å; G17-D45 PolarHBondContact N-OD2 2.99Å; G17-R47 VanDerWaalsContact CA-CZ 3.48Å
18F92.6Very high90.2Very high5 Ų523.9 Ų23.92%0.02213%0.129CC..SBendtrans-101.937.9-170.3-58.8-76.4000111A10 D259 E402 Y406 I407A10-F18 HydrophobicContact CB-CE1 4.5Å; A10-F18 HydrophobicContact CB-CZ 4.01Å; F18-D259 HydrophobicContact CE1-CB 4.36Å; F18-E402 VanDerWaalsContact C-OE1 3.32Å; F18-E402 WeakPolarHBondContact CA-OE1 3.43Å; F18-E402 PolarHBondContact N-OE1 2.93Å; F18-Y406 VanDerWaalsContact O-CD2 3.3Å; F18-Y406 WeakPolarHBondContact O-CD2 3.4Å; F18-I407 HydrophobicContact CB-CG1 4.21Å; F18-I407 HydrophobicContact CD1-CG1 4.1Å; F18-I407 HydrophobicContact CD2-CD1 4.16Å; F18-I407 HydrophobicContact CD2-CG1 3.96Å; F18-I407 HydrophobicContact CE1-CG1 4.49Å; F18-I407 HydrophobicContact CE2-CD1 4.43Å; F18-I407 HydrophobicContact CE2-CG1 4.36Å; F18-I407 HydrophobicContact CG-CD1 4.49Å; F18-I407 HydrophobicContact CG-CG1 3.82Å
19S94.8Very high90.6Very high0 Ų024.2 Ų24.20%014%0.135CC..SBendtrans-154.8157.4177.971.70000112.5G17 R47 H48 L266 E402 H443G17-S19 VanDerWaalsContact C-N 3.34Å; G17-S19 PolarHBondContact O-N 2.88Å; S19-R47 PolarHBondContact O-NE 3.15Å; S19-R47 PolarHBondContact OG-NH2 3.27Å; S19-H48 PolarHBondContact OG-NE2 3.42Å; S19-L266 CarbonylContact C-O 3.54Å; S19-E402 PolarHBondContact N-OE1 3.11Å; S19-E402 PolarHBondContact OG-OE1 3Å; S19-H443 VanDerWaalsContact CB-CE1 3.48Å; S19-H443 WeakPolarHBondContact CB-CE1 3.46Å; S19-H443 WeakPolarHBondContact CB-NE2 3.43Å; S19-H443 PolarHBondContact OG-NE2 3.06Å; S19-H443 VanDerWaalsContact OG-NE2 3.09Å
20P95.7Very high90.4Very high4 Ų425.4 Ų25.43%0.02614%0.142CC..  trans-60.1155.7168.5-24.935.9000113R22 H48 L266 I270 E271P20-R22 PolarHBondContact O-N 3.36Å; P20-H48 PolarHBondContact O-CE1 3.4Å; P20-H48 VanDerWaalsContact O-CE1 3.31Å; P20-L266 VanDerWaalsContact CA-O 3.23Å; P20-L266 WeakPolarHBondContact CA-O 3.24Å; P20-I270 HydrophobicContact CG-CD1 3.75Å; P20-I270 HydrophobicContact CG-CG1 3.88Å; P20-E271 HydrophobicContact CB-CG 4.43Å; P20-E271 HydrophobicContact CG-CG 4.11Å
21A95.2Very high89.8Confident17 Ų1732.1 Ų32.114%0.1417%0.17CC..  trans-57.5134.6170.700000111R47 K51 S267 F268A21-R47 HydrophobicContact CB-CB 3.89Å; A21-R47 HydrophobicContact CB-CG 4.31Å; A21-K51 HydrophobicContact CB-CB 3.92Å; A21-K51 HydrophobicContact CB-CG 4.26Å; A21-S267 PolarHBondContact N-O 3.29Å; A21-F268 HydrophobicContact CB-CD1 4.37Å; A21-F268 HydrophobicContact CB-CE1 4.12Å
22R94.1Very high88.8Confident37 Ų3733 Ų3314%0.1417%0.173CC..  trans-131.4144.7179.8-65.6-68.3-178.1-118.84.4110.8P20 L24 L27 H48 K51 E271 D440P20-R22 PolarHBondContact O-N 3.36Å; R22-L24 PolarHBondContact O-N 3.1Å; R22-L27 HydrophobicContact CB-CD1 3.84Å; R22-L27 HydrophobicContact CB-CG 4.37Å; R22-L27 HydrophobicContact CG-CD1 4.14Å; R22-L27 HydrophobicContact CG-CD2 4.48Å; R22-H48 PolarHBondContact N-ND1 3.31Å; R22-H48 VanDerWaalsContact N-ND1 3.16Å; R22-H48 PolarHBondContact O-ND1 3.09Å; R22-K51 VanDerWaalsContact C-CG 3.49Å; R22-E271 IonicContact CZ-OE1 3.42Å; R22-E271 IonicContact CZ-OE2 3.16Å; R22-E271 IonicContact NH1-OE1 3.19Å; R22-E271 IonicContact NH1-OE2 3.9Å; R22-E271 PolarHBondContact NH1-OE2 3.39Å; R22-E271 IonicContact NH2-OE1 3.62Å; R22-E271 PolarHBondContact NH2-OE1 2.76Å; R22-E271 IonicContact NH2-OE2 3.24Å; R22-E271 PolarHBondContact NH2-OE2 2.99Å; R22-D440 IonicContact CZ-OD2 3.78Å; R22-D440 IonicContact NE-OD2 2.83Å; R22-D440 PolarHBondContact NE-OD2 2.82Å; R22-D440 IonicContact NH2-OD2 2.74Å; R22-D440 PolarHBondContact NH2-OD2 2.97Å; R22-D440 VanDerWaalsContact NH2-OD2 3.12Å
23N94Very high87.7Confident17 Ų1733.6 Ų33.69%0.09119%0.189CC..  trans-80.7107.9164.4171.67.8000108.4L25 S26 K51 D55N23-L25 PolarHBondContact O-N 2.86Å; N23-L25 WeakPolarHBondContact OD1-CB 3.34Å; N23-L25 PolarHBondContact OD1-N 3.4Å; N23-S26 WeakPolarHBondContact CB-OG 3.4Å; N23-S26 PolarHBondContact O-N 2.92Å; N23-S26 PolarHBondContact O-OG 2.86Å; N23-K51 HydrophobicContact CB-CG 4.4Å; N23-D55 HydrophobicContact CB-CB 3.98Å; N23-D55 WeakPolarHBondContact CB-OD2 3.28Å; N23-D55 VanDerWaalsContact ND2-CB 3.29Å; N23-D55 WeakPolarHBondContact ND2-CB 3.03Å
24L93.8Very high87.1Confident0 Ų034.6 Ų34.60%020%0.202CC..THydrogen-bonded Turntrans-67.3-16.9-174.7-62.5178.9000113.2R22 L27 V38 L40 H48 T52 S374 Y376 V400R22-L24 PolarHBondContact O-N 3.1Å; L24-L27 HydrophobicContact CD2-CD1 4.09Å; L24-V38 HydrophobicContact CB-CG1 4.07Å; L24-V38 HydrophobicContact CD1-CG1 3.65Å; L24-L40 HydrophobicContact CD1-CD1 4.36Å; L24-L40 HydrophobicContact CD1-CD2 3.75Å; L24-L40 HydrophobicContact CD1-CG 3.87Å; L24-H48 HydrophobicContact CD1-CB 4.05Å; L24-H48 HydrophobicContact CD2-CB 4.49Å; L24-H48 HydrophobicContact CG-CB 4.21Å; L24-T52 PolarHBondContact N-OG1 3.24Å; L24-S374 PolarHBondContact O-OG 2.85Å; L24-Y376 HydrophobicContact CD1-CG 4.29Å; L24-Y376 HydrophobicContact CD2-CD2 3.8Å; L24-Y376 HydrophobicContact CD2-CG 4.26Å; L24-V400 HydrophobicContact CD2-CG1 4.44Å
25L91.6Very high87Confident27 Ų2738 Ų3814%0.14122%0.216CC..THydrogen-bonded Turntrans-84.1-13.9175-58.8176000113.2N23 V30 M36 V38 T52 L62N23-L25 PolarHBondContact O-N 2.86Å; N23-L25 WeakPolarHBondContact OD1-CB 3.34Å; N23-L25 PolarHBondContact OD1-N 3.4Å; L25-V30 HydrophobicContact CD2-CG1 4.04Å; L25-M36 HydrophobicContact CD1-CB 4.32Å; L25-M36 HydrophobicContact CD1-CG 4.32Å; L25-M36 HydrophobicContact CD2-CB 4.32Å; L25-M36 HydrophobicContact CD2-SD 4.35Å; L25-V38 HydrophobicContact CD2-CG2 3.64Å; L25-V38 HydrophobicContact CG-CG2 4.3Å; L25-T52 HydrophobicContact CD1-CG2 4.02Å; L25-T52 HydrophobicContact CG-CG2 3.91Å; L25-L62 HydrophobicContact CD1-CD1 4.03Å
26S88.6Confident87Confident77 Ų7738.8 Ų38.854%0.53822%0.22SC..THydrogen-bonded Turntrans-102.5-11.1-177.968.50000114.3N23 G28N23-S26 WeakPolarHBondContact CB-OG 3.4Å; N23-S26 PolarHBondContact O-N 2.92Å; N23-S26 PolarHBondContact O-OG 2.86Å; S26-G28 PolarHBondContact O-N 2.99Å
27L84.9Confident87.1Confident28 Ų2839 Ų3915%0.14722%0.222CC..SBendtrans-76.5-9.7-175.2-78.6179.5000114R22 L24 V400 W434 V445R22-L27 HydrophobicContact CB-CD1 3.84Å; R22-L27 HydrophobicContact CB-CG 4.37Å; R22-L27 HydrophobicContact CG-CD1 4.14Å; R22-L27 HydrophobicContact CG-CD2 4.48Å; L24-L27 HydrophobicContact CD2-CD1 4.09Å; L27-V400 HydrophobicContact CB-CG2 4.08Å; L27-V400 HydrophobicContact CD1-CB 4.44Å; L27-V400 HydrophobicContact CD1-CG1 3.59Å; L27-V400 HydrophobicContact CD1-CG2 4.01Å; L27-W434 WeakPolarHBondContact O-CZ3 3.38Å; L27-V445 HydrophobicContact CB-CG2 4.4Å; L27-V445 WeakPolarHBondContact O-CG1 3.47Å
28G82.2Confident87.5Confident10 Ų1038.9 Ų38.910%0.10322%0.221CC..SBendtrans-156-177.4177.900000110.8S26 V30S26-G28 PolarHBondContact O-N 2.99Å; G28-V30 PolarHBondContact O-N 3.39Å
29P83.4Confident87.8Confident51 Ų5138.7 Ų38.733%0.33122%0.22SC..  trans-78.454.9-178.734.9-36.3000111.1K31 V447P29-K31 PolarHBondContact O-N 3.16Å; P29-V447 HydrophobicContact CG-CG1 3.8Å
30V79.9Confident88Confident26 Ų2638.7 Ų38.716%0.15822%0.22CC..  trans-66117.7178.9-175.20000108.5L25 G28 M36 N373 V398L25-V30 HydrophobicContact CD2-CG1 4.04Å; G28-V30 PolarHBondContact O-N 3.39Å; V30-M36 HydrophobicContact CG1-SD 4.31Å; V30-N373 HydrophobicContact CG1-CB 3.94Å; V30-V398 HydrophobicContact CB-CG2 4.47Å; V30-V398 HydrophobicContact CG2-CB 3.82Å; V30-V398 HydrophobicContact CG2-CG2 3.49Å; V30-V398 VanDerWaalsContact CG2-CG2 3.49Å
31K74.3Confident88.1Confident149 Ų14938.5 Ų38.565%0.64822%0.219SC*.  trans-118134.4176.3-65.8-179.2-176.3-179.80109.8P29P29-K31 PolarHBondContact O-N 3.16Å
32S68.1Low88.1Confident38 Ų3837.9 Ų37.927%0.26621%0.213SC..  trans-163.1137.4163-173.50000108.7G34 M36S32-G34 VanDerWaalsContact C-N 3.28Å; S32-G34 PolarHBondContact OG-N 3.01Å; S32-G34 PolarHBondContact OG-O 3.19Å; S32-M36 VanDerWaalsContact CB-CE 3.44Å; S32-M36 VanDerWaalsContact CB-SD 3.57Å; S32-M36 VanDerWaalsContact O-CE 3.26Å; S32-M36 WeakPolarHBondContact O-CE 3.39Å
33D66Low88.1Confident183 Ų18336.1 Ų36.198%0.97921%0.207SC*.SBendtrans-88.71.7172-63.9-29.8000111.7
34G81.1Confident88.1Confident36 Ų3635.3 Ų35.337%0.37120%0.203SC..SBendtrans-133.1-160.1-176.900000112.9S32 M36 Q60S32-G34 VanDerWaalsContact C-N 3.28Å; S32-G34 PolarHBondContact OG-N 3.01Å; S32-G34 PolarHBondContact OG-O 3.19Å; G34-M36 PolarHBondContact O-N 3.16Å; G34-Q60 PolarHBondContact O-NE2 3.36Å
35E89.3Confident88.3Confident87 Ų8735.3 Ų35.341%0.40720%0.203SC..  trans-53.8133.6-178.6-176.8173.8-150.600112.9N61 N373E35-N61 HydrophobicContact CB-CB 4.24Å; E35-N61 HydrophobicContact CG-CB 4.01Å; E35-N373 PolarHBondContact O-OD1 3.17Å
36M94.3Very high88.5Confident18 Ų1834 Ų349%0.08920%0.196CC..EExtended strand (participates in β ladder)trans-93.8116.6179.6-66.8-69.6176.500110.1L25 V30 S32 G34 Q60 N61 L62 H63 N373L25-M36 HydrophobicContact CD1-CB 4.32Å; L25-M36 HydrophobicContact CD1-CG 4.32Å; L25-M36 HydrophobicContact CD2-CB 4.32Å; L25-M36 HydrophobicContact CD2-SD 4.35Å; V30-M36 HydrophobicContact CG1-SD 4.31Å; S32-M36 VanDerWaalsContact CB-CE 3.44Å; S32-M36 VanDerWaalsContact CB-SD 3.57Å; S32-M36 VanDerWaalsContact O-CE 3.26Å; S32-M36 WeakPolarHBondContact O-CE 3.39Å; G34-M36 PolarHBondContact O-N 3.16Å; M36-Q60 HydrophobicContact CG-CG 3.69Å; M36-N61 PolarHBondContact N-O 3.18Å; M36-L62 HydrophobicContact CB-CD1 3.94Å; M36-L62 WeakPolarHBondContact O-CA 3.18Å; M36-H63 PolarHBondContact O-N 3.3Å; M36-N373 HydrophobicContact SD-CB 4.49Å
37N96.4Very high88.9Confident7 Ų730.4 Ų30.44%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-107.8115.3179.8-69.9-74.3000110.6H63 W65 Y371 F372 N373 S374N37-H63 WeakPolarHBondContact CA-O 3.47Å; N37-H63 WeakPolarHBondContact OD1-CB 3.27Å; N37-W65 PolarHBondContact OD1-NE1 2.82Å; N37-Y371 HydrophobicContact CB-CD1 4.16Å; N37-Y371 HydrophobicContact CB-CE1 3.95Å; N37-Y371 WeakPolarHBondContact CB-O 3.39Å; N37-Y371 VanDerWaalsContact CG-CZ 3.42Å; N37-Y371 VanDerWaalsContact OD1-CE1 3.31Å; N37-Y371 WeakPolarHBondContact OD1-CE1 3.47Å; N37-Y371 PolarHBondContact OD1-OH 2.9Å; N37-F372 HydrophobicContact CB-CD1 4.13Å; N37-N373 PolarHBondContact N-OD1 2.96Å; N37-N373 PolarHBondContact O-N 3.22Å; N37-S374 PolarHBondContact O-N 2.68Å
38V97.6Very high89.5Confident0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-115.5120.4-178.3-174.90000110.1L24 L25 L40 L62 H63 M64 W65 S374L24-V38 HydrophobicContact CB-CG1 4.07Å; L24-V38 HydrophobicContact CD1-CG1 3.65Å; L25-V38 HydrophobicContact CD2-CG2 3.64Å; L25-V38 HydrophobicContact CG-CG2 4.3Å; V38-L40 HydrophobicContact CG1-CD1 4.01Å; V38-L62 HydrophobicContact CG2-CD1 3.97Å; V38-H63 PolarHBondContact N-O 3.37Å; V38-M64 HydrophobicContact CB-CE 4.11Å; V38-M64 HydrophobicContact CB-SD 3.71Å; V38-M64 HydrophobicContact CG1-CE 4.04Å; V38-M64 HydrophobicContact CG1-SD 4.3Å; V38-M64 HydrophobicContact CG2-SD 3.96Å; V38-M64 CarbonylContact O-C 3.58Å; V38-W65 PolarHBondContact O-N 3.33Å; V38-S374 CarbonylContact C-O 3.59Å; V38-S374 WeakPolarHBondContact CA-O 3.22Å
39L98.3Very high90.3Very high0 Ų028.6 Ų28.60%016%0.159CC..EExtended strand (participates in β ladder)trans-97.6125.7174.918063.3000110.5V41 W65 I67 L354 L362 F372 S374 V375 Y376 M389 I392L39-V41 HydrophobicContact CD2-CG2 4.34Å; L39-V41 HydrophobicContact CG-CG2 4.12Å; L39-W65 CarbonylContact C-O 3.52Å; L39-W65 WeakPolarHBondContact CA-O 3.21Å; L39-W65 HydrophobicContact CD1-CB 3.8Å; L39-I67 HydrophobicContact CD1-CD1 4Å; L39-I67 HydrophobicContact CD1-CG1 4.3Å; L39-L354 HydrophobicContact CD1-CD1 4.36Å; L39-L362 HydrophobicContact CD1-CD1 4.36Å; L39-L362 HydrophobicContact CD2-CD1 3.87Å; L39-F372 HydrophobicContact CB-CD1 3.68Å; L39-F372 HydrophobicContact CB-CE1 3.91Å; L39-F372 HydrophobicContact CB-CG 4.06Å; L39-F372 HydrophobicContact CB-CZ 4.48Å; L39-F372 HydrophobicContact CD1-CE1 4.41Å; L39-F372 HydrophobicContact CD1-CZ 4.49Å; L39-F372 HydrophobicContact CD2-CD2 4.45Å; L39-F372 HydrophobicContact CD2-CE2 4.35Å; L39-F372 HydrophobicContact CD2-CZ 4.45Å; L39-S374 PolarHBondContact N-O 2.92Å; L39-V375 HydrophobicContact CB-CG1 4.36Å; L39-V375 HydrophobicContact CB-CG2 4.38Å; L39-V375 HydrophobicContact CD2-CG1 4.21Å; L39-V375 HydrophobicContact CG-CG1 4.47Å; L39-V375 CarbonylContact O-C 3.5Å; L39-V375 WeakPolarHBondContact O-CA 3.29Å; L39-Y376 PolarHBondContact O-N 3.02Å; L39-M389 HydrophobicContact CD2-CE 4.36Å; L39-I392 HydrophobicContact CD2-CD1 4.17Å
40L98.4Very high90.9Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-112.2125.9173.7-62.292.9000109.9L24 V38 H48 I49 M64 W65 I67 Y376L24-L40 HydrophobicContact CD1-CD1 4.36Å; L24-L40 HydrophobicContact CD1-CD2 3.75Å; L24-L40 HydrophobicContact CD1-CG 3.87Å; V38-L40 HydrophobicContact CG1-CD1 4.01Å; L40-H48 HydrophobicContact CD2-CB 3.81Å; L40-I49 HydrophobicContact CD1-CG1 4.32Å; L40-I49 HydrophobicContact CD2-CG1 3.95Å; L40-M64 HydrophobicContact CD1-CB 4.42Å; L40-M64 HydrophobicContact CD1-CE 3.65Å; L40-W65 PolarHBondContact N-O 2.79Å; L40-I67 PolarHBondContact O-N 3.05Å; L40-Y376 HydrophobicContact CB-CD1 4.42Å; L40-Y376 HydrophobicContact CD2-CD1 4.5Å
41V97.9Very high91.7Very high1 Ų126.5 Ų26.51%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-117.5111.8178.1-172.60000109.7L39 I67 L359 Y376 F377 S378 C381L39-V41 HydrophobicContact CD2-CG2 4.34Å; L39-V41 HydrophobicContact CG-CG2 4.12Å; V41-I67 WeakPolarHBondContact CA-O 3.45Å; V41-L359 HydrophobicContact CG1-CD2 4.09Å; V41-L359 HydrophobicContact CG2-CD1 3.99Å; V41-Y376 PolarHBondContact N-O 2.88Å; V41-F377 HydrophobicContact CB-CD1 3.93Å; V41-F377 HydrophobicContact CB-CE1 3.95Å; V41-F377 HydrophobicContact CB-CG 4.27Å; V41-F377 HydrophobicContact CB-CZ 4.28Å; V41-F377 HydrophobicContact CG1-CD1 3.99Å; V41-F377 HydrophobicContact CG1-CE1 3.78Å; V41-F377 HydrophobicContact CG1-CZ 4.41Å; V41-F377 HydrophobicContact CG2-CD1 4.49Å; V41-F377 HydrophobicContact CG2-CE1 4.14Å; V41-F377 HydrophobicContact CG2-CE2 4.16Å; V41-F377 HydrophobicContact CG2-CZ 3.97Å; V41-S378 PolarHBondContact O-N 3.4Å; V41-S378 PolarHBondContact O-OG 2.86Å; V41-C381 HydrophobicContact CG1-CB 4.05Å
42G96.2Very high92.7Very high3 Ų319.4 Ų19.43%0.03111%0.112CC..SBendtrans72.730.5174.300000114.5G44 I67 E68 S378G42-G44 PolarHBondContact O-N 2.97Å; G42-I67 PolarHBondContact N-O 3.48Å; G42-E68 WeakPolarHBondContact CA-OE2 3.41Å; G42-S378 WeakPolarHBondContact O-CB 3.41Å; G42-S378 PolarHBondContact O-OG 3.32Å
43S94.4Very high94Very high0 Ų017.7 Ų17.70%010%0.1CC..  trans-59.3-28.4-177.8-175.10000112.4D45 R47 E68S43-D45 PolarHBondContact O-N 2.79Å; S43-D45 PolarHBondContact OG-O 3.37Å; S43-R47 PolarHBondContact O-NH1 3.13Å; S43-R47 VanDerWaalsContact O-NH1 3.12Å; S43-E68 PolarHBondContact N-OE1 2.86Å
44G93.9Very high95.2Very high1 Ų111 Ų111%0.016%0.063CC..  trans78-33.2178.900000113.9S14 G42 E68 V73 Q77S14-G44 VanDerWaalsContact O-CA 3.28Å; S14-G44 WeakPolarHBondContact O-CA 3.29Å; G42-G44 PolarHBondContact O-N 2.97Å; G44-E68 PolarHBondContact N-OE1 2.88Å; G44-E68 PolarHBondContact N-OE2 2.83Å; G44-V73 WeakPolarHBondContact O-CG1 3.45Å; G44-Q77 PolarHBondContact O-NE2 3.45Å
45D96.8Very high95.5Very high0 Ų012.3 Ų12.30%06%0.062CC..SBendtrans-149.1169.9179.673.571.7000111.8W16 G17 S43 R47 F104W16-D45 VanDerWaalsContact CA-OD2 3.23Å; W16-D45 WeakPolarHBondContact CA-OD2 3.33Å; G17-D45 PolarHBondContact N-OD2 2.99Å; S43-D45 PolarHBondContact O-N 2.79Å; S43-D45 PolarHBondContact OG-O 3.37Å; D45-R47 VanDerWaalsContact C-N 3.34Å; D45-R47 PolarHBondContact O-N 3.16Å; D45-R47 WeakPolarHBondContact OD1-CB 3.14Å; D45-R47 WeakPolarHBondContact OD1-CD 3.32Å; D45-R47 WeakPolarHBondContact OD1-CG 3.28Å; D45-R47 PolarHBondContact OD1-N 3.47Å; D45-R47 IonicContact OD1-NH1 3.78Å; D45-R47 IonicContact OD2-CZ 3.78Å; D45-R47 IonicContact OD2-NH1 2.89Å; D45-R47 PolarHBondContact OD2-NH1 3.16Å; D45-F104 HydrophobicContact CB-CD2 4.48Å; D45-F104 HydrophobicContact CB-CE2 3.75Å
46P97.5Very high95.4Very high0 Ų08.5 Ų8.50%04%0.044CC..SBendtrans-86.212-173.636.3-36.3000114.7H48 I49 L50 L80 L81 F100P46-H48 PolarHBondContact O-N 3.44Å; P46-I49 HydrophobicContact CB-CB 4.38Å; P46-I49 HydrophobicContact CB-CD1 4.32Å; P46-I49 WeakPolarHBondContact O-CA 3.48Å; P46-I49 WeakPolarHBondContact O-CB 3.45Å; P46-I49 PolarHBondContact O-N 3.4Å; P46-I49 VanDerWaalsContact O-N 3.07Å; P46-L50 HydrophobicContact CB-CD1 4.39Å; P46-L50 HydrophobicContact CB-CG 4.21Å; P46-L50 HydrophobicContact CG-CD1 4.21Å; P46-L50 WeakPolarHBondContact O-CG 3.33Å; P46-L50 PolarHBondContact O-N 2.99Å; P46-L80 HydrophobicContact CG-CB 3.74Å; P46-L80 HydrophobicContact CG-CD1 4.19Å; P46-L81 HydrophobicContact CB-CD2 3.7Å; P46-L81 HydrophobicContact CB-CG 3.95Å; P46-L81 HydrophobicContact CG-CD2 4.48Å; P46-F100 HydrophobicContact CG-CZ 4.45Å
47R97Very high94.8Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-55.6-45-173.870.9-168.6-172.5-81.7-1.6114G17 S19 A21 S43 D45 K51 F268 E402G17-R47 VanDerWaalsContact CA-CZ 3.48Å; S19-R47 PolarHBondContact O-NE 3.15Å; S19-R47 PolarHBondContact OG-NH2 3.27Å; A21-R47 HydrophobicContact CB-CB 3.89Å; A21-R47 HydrophobicContact CB-CG 4.31Å; S43-R47 PolarHBondContact O-NH1 3.13Å; S43-R47 VanDerWaalsContact O-NH1 3.12Å; D45-R47 VanDerWaalsContact C-N 3.34Å; D45-R47 PolarHBondContact O-N 3.16Å; D45-R47 WeakPolarHBondContact OD1-CB 3.14Å; D45-R47 WeakPolarHBondContact OD1-CD 3.32Å; D45-R47 WeakPolarHBondContact OD1-CG 3.28Å; D45-R47 PolarHBondContact OD1-N 3.47Å; D45-R47 IonicContact OD1-NH1 3.78Å; D45-R47 IonicContact OD2-CZ 3.78Å; D45-R47 IonicContact OD2-NH1 2.89Å; D45-R47 PolarHBondContact OD2-NH1 3.16Å; R47-K51 WeakPolarHBondContact O-CB 3.48Å; R47-K51 PolarHBondContact O-N 3.02Å; R47-F268 HydrophobicContact CB-CE1 3.81Å; R47-F268 HydrophobicContact CB-CE2 4.18Å; R47-F268 HydrophobicContact CB-CZ 3.43Å; R47-F268 VanDerWaalsContact CB-CZ 3.43Å; R47-E402 IonicContact NH2-OE1 3.85Å; R47-E402 PolarHBondContact NH2-OE1 3.23Å
48H97.5Very high93.9Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-70.7-36178-64.7-61.3000111.6S19 P20 R22 L24 L40 P46 T52 Y376 H443S19-H48 PolarHBondContact OG-NE2 3.42Å; P20-H48 PolarHBondContact O-CE1 3.4Å; P20-H48 VanDerWaalsContact O-CE1 3.31Å; R22-H48 PolarHBondContact N-ND1 3.31Å; R22-H48 VanDerWaalsContact N-ND1 3.16Å; R22-H48 PolarHBondContact O-ND1 3.09Å; L24-H48 HydrophobicContact CD1-CB 4.05Å; L24-H48 HydrophobicContact CD2-CB 4.49Å; L24-H48 HydrophobicContact CG-CB 4.21Å; L40-H48 HydrophobicContact CD2-CB 3.81Å; P46-H48 PolarHBondContact O-N 3.44Å; H48-T52 WeakPolarHBondContact O-CB 3.44Å; H48-T52 PolarHBondContact O-N 3.04Å; H48-T52 PolarHBondContact O-OG1 3.28Å; H48-Y376 AromaticContact CD2-CZ 3.8Å; H48-Y376 AromaticContact NE2-CE2 3.86Å; H48-Y376 AromaticContact NE2-CZ 3.71Å; H48-Y376 PolarHBondContact NE2-OH 3.13Å; H48-H443 AromaticContact CE1-NE2 3.99Å
49I97.9Very high93Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-58.7-54.6174.2-59.9173.8000109.1L40 P46 T52 I53 M64 V66 L81 V351L40-I49 HydrophobicContact CD1-CG1 4.32Å; L40-I49 HydrophobicContact CD2-CG1 3.95Å; P46-I49 HydrophobicContact CB-CB 4.38Å; P46-I49 HydrophobicContact CB-CD1 4.32Å; P46-I49 WeakPolarHBondContact O-CA 3.48Å; P46-I49 WeakPolarHBondContact O-CB 3.45Å; P46-I49 PolarHBondContact O-N 3.4Å; P46-I49 VanDerWaalsContact O-N 3.07Å; I49-T52 PolarHBondContact O-N 3.49Å; I49-I53 HydrophobicContact CG2-CD1 3.64Å; I49-I53 WeakPolarHBondContact O-CB 3.43Å; I49-I53 WeakPolarHBondContact O-CD1 3.41Å; I49-I53 WeakPolarHBondContact O-CG1 3.39Å; I49-I53 PolarHBondContact O-N 3.3Å; I49-M64 HydrophobicContact CB-CE 4.44Å; I49-M64 HydrophobicContact CG1-CE 4.33Å; I49-M64 HydrophobicContact CG2-CG 4.3Å; I49-V66 HydrophobicContact CD1-CG2 3.7Å; I49-L81 HydrophobicContact CG2-CD2 4.2Å; I49-V351 HydrophobicContact CD1-CG1 4.22Å; I49-V351 HydrophobicContact CG2-CG1 4.48Å; I49-V351 HydrophobicContact CG2-CG2 3.89Å
50L96.9Very high92.2Very high4 Ų421.7 Ų21.72%0.02111%0.114CC..Hα-helixtrans-65.8-43.4-176.3-64179.9000112.6P46 I53 M54 L81 T84 F100 L300P46-L50 HydrophobicContact CB-CD1 4.39Å; P46-L50 HydrophobicContact CB-CG 4.21Å; P46-L50 HydrophobicContact CG-CD1 4.21Å; P46-L50 WeakPolarHBondContact O-CG 3.33Å; P46-L50 PolarHBondContact O-N 2.99Å; L50-I53 PolarHBondContact O-N 3.28Å; L50-M54 VanDerWaalsContact O-CB 3.28Å; L50-M54 WeakPolarHBondContact O-CB 3.45Å; L50-M54 PolarHBondContact O-N 2.82Å; L50-L81 HydrophobicContact CD2-CD2 3.82Å; L50-L81 HydrophobicContact CG-CD2 4.42Å; L50-T84 HydrophobicContact CD1-CG2 4.31Å; L50-T84 HydrophobicContact CD2-CG2 3.64Å; L50-F100 HydrophobicContact CD1-CE2 4.13Å; L50-F100 HydrophobicContact CD1-CZ 4.21Å; L50-L300 HydrophobicContact CB-CD1 3.62Å; L50-L300 HydrophobicContact CB-CD2 4.06Å; L50-L300 HydrophobicContact CB-CG 4.33Å; L50-L300 HydrophobicContact CD1-CD1 4.41Å; L50-L300 HydrophobicContact CD1-CD2 4.17Å; L50-L300 HydrophobicContact CD2-CD2 4.49Å; L50-L300 HydrophobicContact CG-CD2 4.47Å
51K95.9Very high91.9Very high29 Ų2925.8 Ų25.813%0.12614%0.136CC..Hα-helixtrans-66-40.8178-175.856.7168.1158.70112A21 R22 N23 R47 M54 D55 D273A21-K51 HydrophobicContact CB-CB 3.92Å; A21-K51 HydrophobicContact CB-CG 4.26Å; R22-K51 VanDerWaalsContact C-CG 3.49Å; N23-K51 HydrophobicContact CB-CG 4.4Å; R47-K51 WeakPolarHBondContact O-CB 3.48Å; R47-K51 PolarHBondContact O-N 3.02Å; K51-M54 HydrophobicContact CD-CE 3.68Å; K51-M54 PolarHBondContact O-N 3.34Å; K51-D55 WeakPolarHBondContact CD-OD2 3.34Å; K51-D55 WeakPolarHBondContact CE-OD2 3.46Å; K51-D55 IonicContact NZ-OD1 2.92Å; K51-D55 PolarHBondContact NZ-OD1 2.96Å; K51-D55 VanDerWaalsContact NZ-OD1 3.16Å; K51-D55 IonicContact NZ-OD2 2.91Å; K51-D55 PolarHBondContact NZ-OD2 3.33Å; K51-D55 WeakPolarHBondContact O-CB 3.29Å; K51-D55 PolarHBondContact O-N 2.79Å; K51-D273 IonicContact NZ-OD2 2.72Å; K51-D273 PolarHBondContact NZ-OD2 3.11Å
52T95.8Very high91.8Very high0 Ų025.8 Ų25.80%014%0.136CC..Hα-helixtrans-64.7-43.6175.9-55.30000111.5L24 L25 H48 I49 M54 S56 L62 M64L24-T52 PolarHBondContact N-OG1 3.24Å; L25-T52 HydrophobicContact CD1-CG2 4.02Å; L25-T52 HydrophobicContact CG-CG2 3.91Å; H48-T52 WeakPolarHBondContact O-CB 3.44Å; H48-T52 PolarHBondContact O-N 3.04Å; H48-T52 PolarHBondContact O-OG1 3.28Å; I49-T52 PolarHBondContact O-N 3.49Å; T52-M54 VanDerWaalsContact C-N 3.34Å; T52-M54 PolarHBondContact O-N 2.96Å; T52-S56 WeakPolarHBondContact O-CB 3.3Å; T52-S56 PolarHBondContact O-N 2.83Å; T52-L62 HydrophobicContact CG2-CD1 4.46Å; T52-L62 HydrophobicContact CG2-CD2 4.07Å; T52-M64 HydrophobicContact CG2-CE 4.03Å; T52-M64 HydrophobicContact CG2-SD 4.19Å
53I94.3Very high91.8Very high3 Ų326.8 Ų26.82%0.01514%0.139CC..Hα-helixtrans-64.5-39.6176.1-66.4166.3000111.4I49 L50 L62 L304 R307 L346 V349 V351I49-I53 HydrophobicContact CG2-CD1 3.64Å; I49-I53 WeakPolarHBondContact O-CB 3.43Å; I49-I53 WeakPolarHBondContact O-CD1 3.41Å; I49-I53 WeakPolarHBondContact O-CG1 3.39Å; I49-I53 PolarHBondContact O-N 3.3Å; L50-I53 PolarHBondContact O-N 3.28Å; I53-L62 HydrophobicContact CG1-CD2 3.91Å; I53-L304 HydrophobicContact CG2-CD2 3.64Å; I53-R307 PolarHBondContact O-NH1 3.43Å; I53-L346 HydrophobicContact CG2-CD1 4.04Å; I53-V349 HydrophobicContact CD1-CG1 3.69Å; I53-V349 HydrophobicContact CG1-CG1 3.7Å; I53-V349 HydrophobicContact CG2-CG1 4.13Å; I53-V349 HydrophobicContact CG2-CG2 4.29Å; I53-V351 HydrophobicContact CD1-CG2 4.33Å
54M91.1Very high92Very high41 Ų4126.8 Ų26.820%0.20214%0.139CC..Hα-helixtrans-64.1-45.9-179.9-173.8-174.282.400111.9L50 K51 T52 L300L50-M54 VanDerWaalsContact O-CB 3.28Å; L50-M54 WeakPolarHBondContact O-CB 3.45Å; L50-M54 PolarHBondContact O-N 2.82Å; K51-M54 HydrophobicContact CD-CE 3.68Å; K51-M54 PolarHBondContact O-N 3.34Å; T52-M54 VanDerWaalsContact C-N 3.34Å; T52-M54 PolarHBondContact O-N 2.96Å; M54-L300 HydrophobicContact SD-CB 4.03Å; M54-L300 HydrophobicContact SD-CG 4.09Å
55D88.9Confident92.2Very high65 Ų6527.3 Ų27.335%0.34814%0.141SC..Hα-helixtrans-87.7-15.5-173.2-65.9-18000113.2N23 K51N23-D55 HydrophobicContact CB-CB 3.98Å; N23-D55 WeakPolarHBondContact CB-OD2 3.28Å; N23-D55 VanDerWaalsContact ND2-CB 3.29Å; N23-D55 WeakPolarHBondContact ND2-CB 3.03Å; K51-D55 WeakPolarHBondContact CD-OD2 3.34Å; K51-D55 WeakPolarHBondContact CE-OD2 3.46Å; K51-D55 IonicContact NZ-OD1 2.92Å; K51-D55 PolarHBondContact NZ-OD1 2.96Å; K51-D55 VanDerWaalsContact NZ-OD1 3.16Å; K51-D55 IonicContact NZ-OD2 2.91Å; K51-D55 PolarHBondContact NZ-OD2 3.33Å; K51-D55 WeakPolarHBondContact O-CB 3.29Å; K51-D55 PolarHBondContact O-N 2.79Å
56S86.3Confident92.3Very high7 Ų727.3 Ų27.35%0.04914%0.141CC..SBendtrans-70.8140.3178.9178.90000111.8T52 R307T52-S56 WeakPolarHBondContact O-CB 3.3Å; T52-S56 PolarHBondContact O-N 2.83Å; S56-R307 PolarHBondContact O-NH1 3.4Å
57P81.6Confident92.3Very high78 Ų7827.4 Ų27.451%0.50614%0.142SC..  trans-51.2150.5172.4-25.234.3000112.8E59 Q60 R307P57-E59 VanDerWaalsContact C-N 3.33Å; P57-Q60 HydrophobicContact CB-CB 4.11Å; P57-R307 PolarHBondContact O-NH2 3.44Å
58V77.5Confident92.3Very high19 Ų1927.8 Ų27.812%0.11514%0.143CC..SBendtrans-74.5-31.6-174.1178.60000111.2Q60 R307 L311V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-R307 HydrophobicContact CG1-CG 4.31Å; V58-R307 HydrophobicContact CG2-CG 4.06Å; V58-L311 HydrophobicContact CG1-CD1 3.85Å; V58-L311 HydrophobicContact CG1-CD2 3.46Å; V58-L311 VanDerWaalsContact CG1-CD2 3.46Å; V58-L311 HydrophobicContact CG1-CG 3.44Å; V58-L311 VanDerWaalsContact CG1-CG 3.44Å
59E77.9Confident92.2Very high165 Ų16530.9 Ų30.977%0.77117%0.165SC*.SBendtrans-78.5-17.2-177.6-56.173.3-160.600112.5P57P57-E59 VanDerWaalsContact C-N 3.33Å
60Q83Confident92.1Very high40 Ų4032 Ų3219%0.18717%0.173CC..SBendtrans-85.8121.6-177.5-178.258.167.500110.7G34 M36 P57 V58 L62G34-Q60 PolarHBondContact O-NE2 3.36Å; M36-Q60 HydrophobicContact CG-CG 3.69Å; P57-Q60 HydrophobicContact CB-CB 4.11Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 2.97Å
61N91.7Very high92.1Very high86 Ų8632.5 Ų32.546%0.4618%0.175SC..  trans-68.7128.8169.2-71.4-26.3000109.7E35 M36 G348E35-N61 HydrophobicContact CB-CB 4.24Å; E35-N61 HydrophobicContact CG-CB 4.01Å; M36-N61 PolarHBondContact N-O 3.18Å; N61-G348 CarbonylContact C-O 3.57Å; N61-G348 WeakPolarHBondContact CA-O 3.33Å; N61-G348 WeakPolarHBondContact OD1-CA 3.23Å
62L94.9Very high92.1Very high1 Ų132.7 Ų32.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-129.1120.3-176176.962.3000110.1L25 M36 V38 T52 I53 Q60 M64 G348 V349 S350L25-L62 HydrophobicContact CD1-CD1 4.03Å; M36-L62 HydrophobicContact CB-CD1 3.94Å; M36-L62 WeakPolarHBondContact O-CA 3.18Å; V38-L62 HydrophobicContact CG2-CD1 3.97Å; T52-L62 HydrophobicContact CG2-CD1 4.46Å; T52-L62 HydrophobicContact CG2-CD2 4.07Å; I53-L62 HydrophobicContact CG1-CD2 3.91Å; Q60-L62 PolarHBondContact O-N 2.97Å; L62-M64 HydrophobicContact CD1-SD 3.68Å; L62-M64 HydrophobicContact CD2-CG 4.48Å; L62-M64 HydrophobicContact CD2-SD 3.98Å; L62-M64 HydrophobicContact CG-CG 4.29Å; L62-M64 HydrophobicContact CG-SD 3.84Å; L62-G348 PolarHBondContact N-O 3.06Å; L62-V349 WeakPolarHBondContact O-CA 3.35Å; L62-S350 PolarHBondContact O-N 3.02Å
63H97.3Very high92.2Very high23 Ų2332.7 Ų32.711%0.10618%0.177CC..EExtended strand (participates in β ladder)trans-115.7113.6173.7-163.6160.2000110.4M36 N37 V38 W65 S350 T352M36-H63 PolarHBondContact O-N 3.3Å; N37-H63 WeakPolarHBondContact CA-O 3.47Å; N37-H63 WeakPolarHBondContact OD1-CB 3.27Å; V38-H63 PolarHBondContact N-O 3.37Å; H63-W65 AromaticContact CD2-CD1 3.88Å; H63-W65 AromaticContact CD2-CE2 3.69Å; H63-W65 AromaticContact CD2-NE1 3.52Å; H63-W65 AromaticContact CE1-CE2 3.45Å; H63-W65 VanDerWaalsContact CE1-CE2 3.45Å; H63-W65 AromaticContact CE1-CH2 3.53Å; H63-W65 AromaticContact CE1-CZ2 3.08Å; H63-W65 WeakPolarHBondContact CE1-CZ2 3.33Å; H63-W65 AromaticContact CE1-NE1 3.9Å; H63-W65 AromaticContact CG-CE2 3.68Å; H63-W65 AromaticContact CG-CZ2 3.97Å; H63-W65 AromaticContact CG-NE1 3.3Å; H63-W65 VanDerWaalsContact CG-NE1 3.3Å; H63-W65 AromaticContact ND1-CE2 3.53Å; H63-W65 AromaticContact ND1-CZ2 3.3Å; H63-W65 VanDerWaalsContact ND1-CZ2 3.3Å; H63-W65 WeakPolarHBondContact ND1-CZ2 3.41Å; H63-W65 AromaticContact ND1-NE1 3.57Å; H63-W65 AromaticContact NE2-CD2 3.91Å; H63-W65 AromaticContact NE2-CE2 3.54Å; H63-W65 AromaticContact NE2-CZ2 3.63Å; H63-W65 AromaticContact NE2-NE1 3.88Å; H63-S350 WeakPolarHBondContact CA-OG 3.28Å; H63-S350 WeakPolarHBondContact CB-OG 3.45Å; H63-S350 PolarHBondContact CD2-OG 2.86Å; H63-S350 PolarHBondContact NE2-OG 2.9Å; H63-T352 WeakPolarHBondContact NE2-CB 3.5Å; H63-T352 PolarHBondContact NE2-OG1 3.32Å
64M98.2Very high92.4Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-92.6124.7173.8-50.3-62.1-7900110.1V38 L40 I49 T52 L62 S350 V351 T352V38-M64 HydrophobicContact CB-CE 4.11Å; V38-M64 HydrophobicContact CB-SD 3.71Å; V38-M64 HydrophobicContact CG1-CE 4.04Å; V38-M64 HydrophobicContact CG1-SD 4.3Å; V38-M64 HydrophobicContact CG2-SD 3.96Å; V38-M64 CarbonylContact O-C 3.58Å; L40-M64 HydrophobicContact CD1-CB 4.42Å; L40-M64 HydrophobicContact CD1-CE 3.65Å; I49-M64 HydrophobicContact CB-CE 4.44Å; I49-M64 HydrophobicContact CG1-CE 4.33Å; I49-M64 HydrophobicContact CG2-CG 4.3Å; T52-M64 HydrophobicContact CG2-CE 4.03Å; T52-M64 HydrophobicContact CG2-SD 4.19Å; L62-M64 HydrophobicContact CD1-SD 3.68Å; L62-M64 HydrophobicContact CD2-CG 4.48Å; L62-M64 HydrophobicContact CD2-SD 3.98Å; L62-M64 HydrophobicContact CG-CG 4.29Å; L62-M64 HydrophobicContact CG-SD 3.84Å; M64-S350 PolarHBondContact N-O 3.34Å; M64-V351 HydrophobicContact CB-CB 4.37Å; M64-V351 HydrophobicContact CB-CG1 4.2Å; M64-V351 HydrophobicContact CB-CG2 4.07Å; M64-V351 HydrophobicContact CG-CG2 4.29Å; M64-V351 CarbonylContact O-C 3.55Å; M64-V351 VanDerWaalsContact O-CA 3.26Å; M64-V351 WeakPolarHBondContact O-CA 3.31Å; M64-T352 PolarHBondContact O-N 2.88Å
65W98.6Very high92.7Very high13 Ų1330.6 Ų30.65%0.04917%0.167CC..EExtended strand (participates in β ladder)trans-111.5127.4178.9-61.482.3000109.2N37 V38 L39 L40 H63 L144 T352 L354 Y368 Y371 F372N37-W65 PolarHBondContact OD1-NE1 2.82Å; V38-W65 PolarHBondContact O-N 3.33Å; L39-W65 CarbonylContact C-O 3.52Å; L39-W65 WeakPolarHBondContact CA-O 3.21Å; L39-W65 HydrophobicContact CD1-CB 3.8Å; L40-W65 PolarHBondContact N-O 2.79Å; H63-W65 AromaticContact CD2-CD1 3.88Å; H63-W65 AromaticContact CD2-CE2 3.69Å; H63-W65 AromaticContact CD2-NE1 3.52Å; H63-W65 AromaticContact CE1-CE2 3.45Å; H63-W65 VanDerWaalsContact CE1-CE2 3.45Å; H63-W65 AromaticContact CE1-CH2 3.53Å; H63-W65 AromaticContact CE1-CZ2 3.08Å; H63-W65 WeakPolarHBondContact CE1-CZ2 3.33Å; H63-W65 AromaticContact CE1-NE1 3.9Å; H63-W65 AromaticContact CG-CE2 3.68Å; H63-W65 AromaticContact CG-CZ2 3.97Å; H63-W65 AromaticContact CG-NE1 3.3Å; H63-W65 VanDerWaalsContact CG-NE1 3.3Å; H63-W65 AromaticContact ND1-CE2 3.53Å; H63-W65 AromaticContact ND1-CZ2 3.3Å; H63-W65 VanDerWaalsContact ND1-CZ2 3.3Å; H63-W65 WeakPolarHBondContact ND1-CZ2 3.41Å; H63-W65 AromaticContact ND1-NE1 3.57Å; H63-W65 AromaticContact NE2-CD2 3.91Å; H63-W65 AromaticContact NE2-CE2 3.54Å; H63-W65 AromaticContact NE2-CZ2 3.63Å; H63-W65 AromaticContact NE2-NE1 3.88Å; W65-L144 HydrophobicContact CH2-CD1 4.39Å; W65-L144 HydrophobicContact CZ3-CD1 3.64Å; W65-T352 WeakPolarHBondContact CA-O 3.46Å; W65-T352 HydrophobicContact CE3-CG2 4.2Å; W65-T352 HydrophobicContact CZ3-CG2 4.04Å; W65-L354 HydrophobicContact CB-CD1 4.33Å; W65-L354 HydrophobicContact CE3-CD1 3.95Å; W65-L354 HydrophobicContact CE3-CD2 3.85Å; W65-L354 HydrophobicContact CE3-CG 4Å; W65-L354 HydrophobicContact CZ3-CD2 3.97Å; W65-Y368 HydrophobicContact CH2-CE1 4.03Å; W65-Y368 HydrophobicContact CZ2-CE1 4.36Å; W65-Y368 HydrophobicContact CZ3-CE1 4.23Å; W65-Y371 AromaticContact CE2-CE1 3.81Å; W65-Y371 AromaticContact CZ2-CE1 3.74Å; W65-Y371 HydrophobicContact CZ2-CE1 3.74Å; W65-Y371 WeakPolarHBondContact CZ2-OH 3.28Å; W65-Y371 AromaticContact NE1-CE1 3.68Å; W65-F372 HydrophobicContact CB-CE1 4.03Å; W65-F372 AromaticContact CD1-CE1 3.54Å; W65-F372 HydrophobicContact CD2-CE1 4.18Å; W65-F372 AromaticContact CG-CE1 3.65Å; W65-F372 HydrophobicContact CG-CE1 3.65Å; W65-F372 HydrophobicContact CG-CZ 4.42Å; W65-F372 AromaticContact NE1-CE1 3.94Å
66V98.6Very high93.2Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-123124.2-169.9-172.30000110.7I49 E68 V351 T352 F353 L354I49-V66 HydrophobicContact CD1-CG2 3.7Å; V66-E68 HydrophobicContact CG1-CG 3.98Å; V66-V351 HydrophobicContact CG2-CG1 3.85Å; V66-T352 PolarHBondContact N-O 2.97Å; V66-F353 HydrophobicContact CB-CD1 3.87Å; V66-F353 HydrophobicContact CB-CE1 3.98Å; V66-F353 HydrophobicContact CB-CG 4.43Å; V66-F353 HydrophobicContact CG1-CD1 3.9Å; V66-F353 HydrophobicContact CG1-CE1 3.74Å; V66-F353 HydrophobicContact CG2-CE1 4.43Å; V66-L354 PolarHBondContact O-N 2.87Å
67I98.2Very high93.7Very high2 Ų227.2 Ų27.21%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-119.1126.2169.9-60.6170.8000107.5L39 L40 V41 G42 L354 L359 L362L39-I67 HydrophobicContact CD1-CD1 4Å; L39-I67 HydrophobicContact CD1-CG1 4.3Å; L40-I67 PolarHBondContact O-N 3.05Å; V41-I67 WeakPolarHBondContact CA-O 3.45Å; G42-I67 PolarHBondContact N-O 3.48Å; I67-L354 HydrophobicContact CD1-CD1 4.08Å; I67-L354 HydrophobicContact CG1-CB 3.76Å; I67-L354 HydrophobicContact CG1-CD1 3.92Å; I67-L354 HydrophobicContact CG1-CG 4.44Å; I67-L359 HydrophobicContact CD1-CB 4.09Å; I67-L359 HydrophobicContact CD1-CD1 4.3Å; I67-L362 HydrophobicContact CD1-CD1 4.06Å
68E97.1Very high94.5Very high7 Ų723.5 Ų23.53%0.03313%0.125CC..  trans-118.9168.7179.3-70.7-59.7154.900112.1G42 S43 G44 V66 V73 V74 Q77 L356G42-E68 WeakPolarHBondContact CA-OE2 3.41Å; S43-E68 PolarHBondContact N-OE1 2.86Å; G44-E68 PolarHBondContact N-OE1 2.88Å; G44-E68 PolarHBondContact N-OE2 2.83Å; V66-E68 HydrophobicContact CG1-CG 3.98Å; E68-V73 HydrophobicContact CB-CB 4.26Å; E68-V73 HydrophobicContact CB-CG1 4.06Å; E68-V73 HydrophobicContact CG-CG1 3.85Å; E68-V73 WeakPolarHBondContact OE2-CG1 2.93Å; E68-V74 HydrophobicContact CB-CG2 3.79Å; E68-V74 HydrophobicContact CG-CG2 4.23Å; E68-Q77 PolarHBondContact OE1-NE2 3.03Å; E68-L356 WeakPolarHBondContact O-CD2 3.42Å
69S93.8Very high95.5Very high65 Ų6522.6 Ų22.646%0.45512%0.119SC..SBendtrans-79.6-20.3-177.960.10000114.1
70S95.8Very high96.5Very high25 Ų2514.8 Ų14.818%0.1758%0.083CC..  trans-156.7160.4179.576.40000112.7D72 V73 V74S70-D72 VanDerWaalsContact C-N 3.28Å; S70-D72 PolarHBondContact O-N 3.49Å; S70-V73 PolarHBondContact O-N 3.21Å; S70-V73 PolarHBondContact OG-N 3.15Å; S70-V74 PolarHBondContact O-N 3.13Å
71M97.1Very high97.2Very high14 Ų1413.1 Ų13.17%0.0698%0.075CC..Hα-helixtrans-68.3-25.4176.4-62.6-44.5-58.900113.3V73 V74 A75 L145 E149 E152 L153 I156 L356M71-V73 VanDerWaalsContact C-N 3.3Å; M71-V73 PolarHBondContact O-N 3.19Å; M71-V74 HydrophobicContact CE-CB 3.97Å; M71-V74 HydrophobicContact CE-CG1 3.97Å; M71-V74 HydrophobicContact CE-CG2 4.18Å; M71-V74 PolarHBondContact O-N 3.05Å; M71-V74 HydrophobicContact SD-CG2 4.33Å; M71-A75 VanDerWaalsContact O-CB 3.29Å; M71-A75 WeakPolarHBondContact O-CB 3.46Å; M71-A75 PolarHBondContact O-N 3.44Å; M71-L145 HydrophobicContact CE-CD1 4.03Å; M71-E149 HydrophobicContact CE-CB 3.95Å; M71-E149 HydrophobicContact SD-CB 3.86Å; M71-E149 HydrophobicContact SD-CG 3.97Å; M71-E152 HydrophobicContact CB-CG 3.86Å; M71-E152 HydrophobicContact CG-CB 4.34Å; M71-E152 HydrophobicContact CG-CG 4Å; M71-L153 HydrophobicContact CB-CD2 4.46Å; M71-L153 HydrophobicContact CE-CD1 3.62Å; M71-L153 HydrophobicContact CE-CD2 3.58Å; M71-L153 HydrophobicContact CE-CG 3.37Å; M71-I156 HydrophobicContact CB-CD1 3.88Å; M71-L356 HydrophobicContact CG-CD1 4.26Å; M71-L356 HydrophobicContact SD-CD1 3.99Å; M71-L356 HydrophobicContact SD-CD2 3.87Å; M71-L356 HydrophobicContact SD-CG 3.93Å
72D96.9Very high97.5Very high32 Ų329.7 Ų9.717%0.1716%0.056CC..Hα-helixtrans-62.3-39.9172.6-62.5-70.1000111W15 S70 R76W15-D72 HydrophobicContact CH2-CB 3.76Å; W15-D72 HydrophobicContact CZ3-CB 4.02Å; S70-D72 VanDerWaalsContact C-N 3.28Å; S70-D72 PolarHBondContact O-N 3.49Å; D72-R76 PolarHBondContact O-N 2.9Å; D72-R76 VanDerWaalsContact O-N 3.09Å
73V97.3Very high97.6Very high0 Ų09.7 Ų9.70%06%0.056CC..Hα-helixtrans-70.3-43.7177.7179.70000110.8V13 W15 G44 E68 S70 M71 A75 R76 Q77V13-V73 HydrophobicContact CG1-CG2 3.56Å; W15-V73 HydrophobicContact CE3-CG2 4.26Å; W15-V73 HydrophobicContact CZ3-CG2 4.09Å; G44-V73 WeakPolarHBondContact O-CG1 3.45Å; E68-V73 HydrophobicContact CB-CB 4.26Å; E68-V73 HydrophobicContact CB-CG1 4.06Å; E68-V73 HydrophobicContact CG-CG1 3.85Å; E68-V73 WeakPolarHBondContact OE2-CG1 2.93Å; S70-V73 PolarHBondContact O-N 3.21Å; S70-V73 PolarHBondContact OG-N 3.15Å; M71-V73 VanDerWaalsContact C-N 3.3Å; M71-V73 PolarHBondContact O-N 3.19Å; V73-A75 PolarHBondContact O-N 2.91Å; V73-R76 PolarHBondContact O-N 3.07Å; V73-Q77 PolarHBondContact O-N 3.32Å
74V98.2Very high97.5Very high1 Ų18.6 Ų8.61%0.0065%0.05CC..Hα-helixtrans-56.8-49.1173.9175.90000110.9E68 S70 M71 R76 Q77 L78 L153 F353 L356E68-V74 HydrophobicContact CB-CG2 3.79Å; E68-V74 HydrophobicContact CG-CG2 4.23Å; S70-V74 PolarHBondContact O-N 3.13Å; M71-V74 HydrophobicContact CE-CB 3.97Å; M71-V74 HydrophobicContact CE-CG1 3.97Å; M71-V74 HydrophobicContact CE-CG2 4.18Å; M71-V74 PolarHBondContact O-N 3.05Å; M71-V74 HydrophobicContact SD-CG2 4.33Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 2.67Å; V74-Q77 PolarHBondContact O-N 3.44Å; V74-L78 HydrophobicContact CG1-CD1 3.97Å; V74-L78 HydrophobicContact CG1-CG 4.44Å; V74-L78 WeakPolarHBondContact O-CG 3.2Å; V74-L78 PolarHBondContact O-N 3Å; V74-L153 HydrophobicContact CB-CD2 4.3Å; V74-L153 HydrophobicContact CG1-CD1 4.22Å; V74-L153 HydrophobicContact CG1-CD2 4.07Å; V74-F353 HydrophobicContact CB-CD1 4.48Å; V74-F353 HydrophobicContact CG1-CB 4.42Å; V74-F353 HydrophobicContact CG1-CD1 3.71Å; V74-F353 HydrophobicContact CG1-CE1 4.24Å; V74-F353 HydrophobicContact CG1-CG 4.16Å; V74-F353 HydrophobicContact CG2-CD1 4.4Å; V74-L356 HydrophobicContact CG2-CD2 4.44Å
75A98.3Very high97.4Very high0 Ų08.8 Ų8.80%05%0.051CC..Hα-helixtrans-56.7-44.3178.500000111.5M71 V73 L78 L79 L153 I156 F157 W160M71-A75 VanDerWaalsContact O-CB 3.29Å; M71-A75 WeakPolarHBondContact O-CB 3.46Å; M71-A75 PolarHBondContact O-N 3.44Å; V73-A75 PolarHBondContact O-N 2.91Å; A75-L78 PolarHBondContact O-N 3.22Å; A75-L79 PolarHBondContact O-N 2.92Å; A75-L79 VanDerWaalsContact O-N 3.07Å; A75-L153 HydrophobicContact CB-CD2 3.66Å; A75-I156 HydrophobicContact CB-CB 4.48Å; A75-I156 HydrophobicContact CB-CD1 4.47Å; A75-I156 HydrophobicContact CB-CG2 3.78Å; A75-F157 HydrophobicContact CB-CD1 4.42Å; A75-F157 HydrophobicContact CB-CE1 3.65Å; A75-F157 HydrophobicContact CB-CZ 4.04Å; A75-W160 HydrophobicContact CB-CH2 3.63Å; A75-W160 HydrophobicContact CB-CZ2 3.99Å; A75-W160 HydrophobicContact CB-CZ3 4.44Å
76R98Very high97.1Very high0 Ų08.7 Ų8.70%05%0.052CC..Hα-helixtrans-69.6-38.1-179.4-174.2172.4159.7-80.612.6112.1W15 D72 V73 V74 L79 L80 F104 W160 T236W15-R76 PolarHBondContact O-NH1 2.92Å; W15-R76 PolarHBondContact O-NH2 3.31Å; D72-R76 PolarHBondContact O-N 2.9Å; D72-R76 VanDerWaalsContact O-N 3.09Å; V73-R76 PolarHBondContact O-N 3.07Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 2.67Å; R76-L79 WeakPolarHBondContact O-CB 3.3Å; R76-L79 PolarHBondContact O-N 3.16Å; R76-L80 HydrophobicContact CG-CD1 4.29Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 3.03Å; R76-F104 PolarHBondContact NH2-O 3.02Å; R76-W160 HydrophobicContact CB-CH2 4.46Å; R76-T236 WeakPolarHBondContact CD-O 3.18Å
77Q97.9Very high96.7Very high0 Ų09 Ų90%05%0.054CC..Hα-helixtrans-64.9-43.5174.2-75.6-167.732.400112.4G44 E68 V73 V74 L79 L80 L81 F353G44-Q77 PolarHBondContact O-NE2 3.45Å; E68-Q77 PolarHBondContact OE1-NE2 3.03Å; V73-Q77 PolarHBondContact O-N 3.32Å; V74-Q77 PolarHBondContact O-N 3.44Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.2Å; Q77-L80 PolarHBondContact O-N 3.43Å; Q77-L81 WeakPolarHBondContact O-CB 3.47Å; Q77-L81 WeakPolarHBondContact O-CG 3.28Å; Q77-L81 PolarHBondContact O-N 3.35Å; Q77-F353 HydrophobicContact CB-CE1 3.96Å; Q77-F353 HydrophobicContact CB-CZ 3.97Å
78L98.3Very high96.2Very high1 Ų113.9 Ų13.91%0.0058%0.077CC..Hα-helixtrans-56.7-42.6174.1-73.9168.5000111.6V74 A75 Y82 L124 L140 T142 L153 F157 F353V74-L78 HydrophobicContact CG1-CD1 3.97Å; V74-L78 HydrophobicContact CG1-CG 4.44Å; V74-L78 WeakPolarHBondContact O-CG 3.2Å; V74-L78 PolarHBondContact O-N 3Å; A75-L78 PolarHBondContact O-N 3.22Å; L78-Y82 VanDerWaalsContact O-CB 3.24Å; L78-Y82 WeakPolarHBondContact O-CB 3.5Å; L78-Y82 PolarHBondContact O-N 2.91Å; L78-L124 HydrophobicContact CB-CD1 4.36Å; L78-L124 HydrophobicContact CB-CD2 4.22Å; L78-L140 HydrophobicContact CD2-CB 4.23Å; L78-L140 HydrophobicContact CD2-CD2 3.94Å; L78-L140 WeakPolarHBondContact O-CD2 3.34Å; L78-T142 HydrophobicContact CD1-CG2 3.83Å; L78-T142 HydrophobicContact CD2-CG2 3.99Å; L78-L153 HydrophobicContact CD1-CD1 4.09Å; L78-F157 HydrophobicContact CD1-CZ 4.21Å; L78-F353 HydrophobicContact CD2-CD2 3.7Å; L78-F353 HydrophobicContact CD2-CE2 3.4Å; L78-F353 HydrophobicContact CD2-CZ 4.04Å; L78-F353 HydrophobicContact CG-CD2 4.35Å; L78-F353 HydrophobicContact CG-CE2 4.01Å; L78-F353 HydrophobicContact CG-CZ 4.17Å
79L98.5Very high95.7Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-62.3-48.8175.2173.970.9000112.7A75 R76 Q77 L81 Y82 V83 L103 L117 A120 L124 W160 T236A75-L79 PolarHBondContact O-N 2.92Å; A75-L79 VanDerWaalsContact O-N 3.07Å; R76-L79 WeakPolarHBondContact O-CB 3.3Å; R76-L79 PolarHBondContact O-N 3.16Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.2Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 2.97Å; L79-Y82 WeakPolarHBondContact O-CB 3.47Å; L79-Y82 PolarHBondContact O-N 3.48Å; L79-V83 HydrophobicContact CD1-CG2 4.48Å; L79-V83 WeakPolarHBondContact O-CG2 3.27Å; L79-V83 PolarHBondContact O-N 2.95Å; L79-L103 HydrophobicContact CD2-CD1 4.19Å; L79-L103 HydrophobicContact CD2-CD2 4.37Å; L79-L103 HydrophobicContact CG-CD1 4.37Å; L79-L117 HydrophobicContact CD1-CD1 3.78Å; L79-L117 HydrophobicContact CD2-CD1 3.37Å; L79-L117 HydrophobicContact CG-CD1 4.22Å; L79-A120 HydrophobicContact CD1-CB 3.56Å; L79-L124 HydrophobicContact CB-CD1 4.25Å; L79-W160 HydrophobicContact CB-CZ3 4.08Å; L79-W160 HydrophobicContact CD2-CE3 4.49Å; L79-W160 HydrophobicContact CD2-CH2 4.37Å; L79-W160 HydrophobicContact CD2-CZ3 3.9Å; L79-W160 HydrophobicContact CG-CZ3 4.48Å; L79-T236 HydrophobicContact CD2-CG2 3.5Å
80L98.5Very high95.5Very high1 Ų125.2 Ų25.21%0.00512%0.121CC..Hα-helixtrans-65.2-37.6-179.1-69.9172.6000111.7P46 R76 Q77 T84 F100 L103 F104P46-L80 HydrophobicContact CG-CB 3.74Å; P46-L80 HydrophobicContact CG-CD1 4.19Å; R76-L80 HydrophobicContact CG-CD1 4.29Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 3.03Å; Q77-L80 PolarHBondContact O-N 3.43Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 PolarHBondContact O-OG1 3.24Å; L80-F100 HydrophobicContact CB-CE2 3.92Å; L80-F100 HydrophobicContact CB-CZ 4.49Å; L80-F100 HydrophobicContact CD2-CD2 4.06Å; L80-F100 HydrophobicContact CD2-CE2 3.99Å; L80-F100 HydrophobicContact CD2-CG 4.44Å; L80-F100 HydrophobicContact CD2-CZ 4.29Å; L80-F100 HydrophobicContact CG-CE2 4.46Å; L80-L103 HydrophobicContact CD2-CB 4.11Å; L80-F104 HydrophobicContact CD1-CD2 4.05Å; L80-F104 HydrophobicContact CD2-CB 4.35Å
81L97.9Very high95.4Very high4 Ų424.6 Ų24.62%0.02112%0.116CC..Hα-helixtrans-66.1-43171.7-70.9172.8000111.3P46 I49 L50 Q77 L79 V83 T84 L85 L140 V351 F353P46-L81 HydrophobicContact CB-CD2 3.7Å; P46-L81 HydrophobicContact CB-CG 3.95Å; P46-L81 HydrophobicContact CG-CD2 4.48Å; I49-L81 HydrophobicContact CG2-CD2 4.2Å; L50-L81 HydrophobicContact CD2-CD2 3.82Å; L50-L81 HydrophobicContact CG-CD2 4.42Å; Q77-L81 WeakPolarHBondContact O-CB 3.47Å; Q77-L81 WeakPolarHBondContact O-CG 3.28Å; Q77-L81 PolarHBondContact O-N 3.35Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 2.97Å; L81-V83 PolarHBondContact O-N 3.43Å; L81-T84 WeakPolarHBondContact O-CB 3.47Å; L81-T84 PolarHBondContact O-N 3.35Å; L81-T84 VanDerWaalsContact O-N 3.16Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 3.47Å; L81-L140 HydrophobicContact CB-CD2 3.59Å; L81-L140 HydrophobicContact CD1-CD2 4.45Å; L81-V351 HydrophobicContact CD1-CG1 4.23Å; L81-F353 HydrophobicContact CD1-CE2 4.07Å; L81-F353 HydrophobicContact CD1-CZ 3.9Å
82Y97.3Very high95.3Very high14 Ų1425.3 Ų25.36%0.05513%0.127CC..Hα-helixtrans-58-47.6176179.4-79.9000111.7L78 L79 T84 L85 T86 A120 Q123 L124 L140 L343L78-Y82 VanDerWaalsContact O-CB 3.24Å; L78-Y82 WeakPolarHBondContact O-CB 3.5Å; L78-Y82 PolarHBondContact O-N 2.91Å; L79-Y82 WeakPolarHBondContact O-CB 3.47Å; L79-Y82 PolarHBondContact O-N 3.48Å; Y82-T84 VanDerWaalsContact C-N 3.31Å; Y82-T84 PolarHBondContact O-N 3.15Å; Y82-L85 CarbonylContact O-C 3.46Å; Y82-L85 PolarHBondContact O-N 3.09Å; Y82-T86 PolarHBondContact O-N 2.84Å; Y82-T86 PolarHBondContact O-OG1 3.3Å; Y82-A120 HydrophobicContact CD1-CB 3.46Å; Y82-A120 VanDerWaalsContact CD1-CB 3.46Å; Y82-A120 HydrophobicContact CE1-CB 3.52Å; Y82-A120 HydrophobicContact CG-CB 4.26Å; Y82-Q123 HydrophobicContact CE2-CB 3.83Å; Y82-Q123 HydrophobicContact CE2-CG 4.47Å; Y82-L124 HydrophobicContact CD2-CD2 4.19Å; Y82-L124 HydrophobicContact CD2-CG 4.32Å; Y82-L140 HydrophobicContact CD2-CD1 4.07Å; Y82-L343 HydrophobicContact CD1-CD2 4.47Å; Y82-L343 HydrophobicContact CD2-CD1 3.84Å; Y82-L343 HydrophobicContact CD2-CD2 3.83Å; Y82-L343 HydrophobicContact CD2-CG 4.35Å; Y82-L343 HydrophobicContact CE1-CD2 4.33Å; Y82-L343 HydrophobicContact CE2-CD1 3.91Å; Y82-L343 HydrophobicContact CE2-CD2 3.67Å; Y82-L343 HydrophobicContact CE2-CG 4.09Å; Y82-L343 HydrophobicContact CG-CD2 4.22Å
83V97.3Very high95.2Very high1 Ų125 Ų251%0.00613%0.125CC..Hα-helixtrans-60.2-43.5175.81710000110.5L79 L81 L85 T86 M91 R96 V99 F100 L103L79-V83 HydrophobicContact CD1-CG2 4.48Å; L79-V83 WeakPolarHBondContact O-CG2 3.27Å; L79-V83 PolarHBondContact O-N 2.95Å; L81-V83 PolarHBondContact O-N 3.43Å; V83-L85 VanDerWaalsContact C-N 3.33Å; V83-L85 PolarHBondContact O-N 2.85Å; V83-T86 WeakPolarHBondContact O-CB 3.36Å; V83-T86 PolarHBondContact O-N 2.91Å; V83-T86 PolarHBondContact O-OG1 2.76Å; V83-M91 HydrophobicContact CG1-SD 4.31Å; V83-R96 HydrophobicContact CG1-CG 3.96Å; V83-R96 WeakPolarHBondContact O-CD 3.16Å; V83-V99 HydrophobicContact CG1-CG1 3.95Å; V83-V99 HydrophobicContact CG2-CG1 4.26Å; V83-F100 HydrophobicContact CG1-CB 4.31Å; V83-L103 HydrophobicContact CG2-CD1 3.99Å
84T96.6Very high95.1Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-61-42.7177.8-59.90000112.1L50 L80 L81 Y82 R96 L300 F301 L304 M344L50-T84 HydrophobicContact CD1-CG2 4.31Å; L50-T84 HydrophobicContact CD2-CG2 3.64Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 PolarHBondContact O-OG1 3.24Å; L81-T84 WeakPolarHBondContact O-CB 3.47Å; L81-T84 PolarHBondContact O-N 3.35Å; L81-T84 VanDerWaalsContact O-N 3.16Å; Y82-T84 VanDerWaalsContact C-N 3.31Å; Y82-T84 PolarHBondContact O-N 3.15Å; T84-R96 PolarHBondContact O-NH1 2.97Å; T84-L300 HydrophobicContact CG2-CD2 4.37Å; T84-F301 HydrophobicContact CG2-CD1 3.9Å; T84-F301 HydrophobicContact CG2-CE1 3.61Å; T84-L304 HydrophobicContact CG2-CD1 3.47Å; T84-L304 VanDerWaalsContact CG2-CD1 3.47Å; T84-M344 VanDerWaalsContact O-CE 3.22Å; T84-M344 WeakPolarHBondContact O-CE 3.5Å
85L94.8Very high95Very high4 Ų433.2 Ų33.22%0.02117%0.166CC..Hα-helixtrans-81.6-9.5-177.4-66.2166.5000113.4L81 Y82 V83 S87 C139 L140 L343 M344 L346L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 3.47Å; Y82-L85 CarbonylContact O-C 3.46Å; Y82-L85 PolarHBondContact O-N 3.09Å; V83-L85 VanDerWaalsContact C-N 3.33Å; V83-L85 PolarHBondContact O-N 2.85Å; L85-S87 PolarHBondContact O-N 3.5Å; L85-C139 HydrophobicContact CD1-CB 3.58Å; L85-C139 HydrophobicContact CD2-CB 4.41Å; L85-L140 HydrophobicContact CD1-CD1 4.45Å; L85-L140 HydrophobicContact CD1-CD2 4.35Å; L85-L140 HydrophobicContact CD1-CG 4.09Å; L85-L343 HydrophobicContact CB-CD2 4.27Å; L85-L343 CarbonylContact O-C 3.53Å; L85-L343 WeakPolarHBondContact O-CA 3.49Å; L85-M344 WeakPolarHBondContact O-CB 3.38Å; L85-M344 VanDerWaalsContact O-CG 3.31Å; L85-M344 WeakPolarHBondContact O-CG 3.03Å; L85-M344 PolarHBondContact O-N 3.49Å; L85-L346 HydrophobicContact CD2-CD1 3.83Å; L85-L346 HydrophobicContact CD2-CG 4.12Å
86T93.7Very high94.9Very high11 Ų1133.2 Ų33.27%0.06717%0.166CC..BIsolated β-bridgetrans-56.2136.9178.4-62.80000110.4Y82 V83 K90 M91 R96Y82-T86 PolarHBondContact O-N 2.84Å; Y82-T86 PolarHBondContact O-OG1 3.3Å; V83-T86 WeakPolarHBondContact O-CB 3.36Å; V83-T86 PolarHBondContact O-N 2.91Å; V83-T86 PolarHBondContact O-OG1 2.76Å; T86-K90 HydrophobicContact CG2-CB 3.85Å; T86-M91 HydrophobicContact CG2-CB 3.81Å; T86-M91 HydrophobicContact CG2-CE 4.44Å; T86-R96 PolarHBondContact O-NH1 3.09Å; T86-R96 PolarHBondContact O-NH2 3.16Å
87S89.1Confident94.9Very high6 Ų633.2 Ų33.24%0.04217%0.166CC..  trans-63149.2-177.879.80000111.9L85 E89 K90 M91 R96 D342L85-S87 PolarHBondContact O-N 3.5Å; S87-E89 PolarHBondContact O-N 2.85Å; S87-K90 PolarHBondContact O-N 3.35Å; S87-K90 VanDerWaalsContact O-N 3.12Å; S87-K90 WeakPolarHBondContact OG-CG 3.45Å; S87-K90 PolarHBondContact OG-N 2.93Å; S87-M91 PolarHBondContact O-N 3.27Å; S87-R96 PolarHBondContact O-NH2 3.29Å; S87-D342 PolarHBondContact N-O 3.33Å
88Q87.8Confident94.9Very high105 Ų10534 Ų3449%0.49117%0.169SC..THydrogen-bonded Turntrans-64.8-25.1179.4-173.9172.2-1900112.6K90Q88-K90 VanDerWaalsContact C-N 3.29Å; Q88-K90 PolarHBondContact O-N 2.72Å
89E87.6Confident94.9Very high182 Ų18234.1 Ų34.185%0.8517%0.17SC*.THydrogen-bonded Turntrans-65.8-31.8174.4-65.4163.9-16300112.3S87S87-E89 PolarHBondContact O-N 2.85Å
90K89.3Confident94.9Very high128 Ų12834.1 Ų34.156%0.55717%0.17SC*.THydrogen-bonded Turntrans-88.7-38.1179.3-67.2-73.2179.3146.60112.8T86 S87 Q88 D342T86-K90 HydrophobicContact CG2-CB 3.85Å; S87-K90 PolarHBondContact O-N 3.35Å; S87-K90 VanDerWaalsContact O-N 3.12Å; S87-K90 WeakPolarHBondContact OG-CG 3.45Å; S87-K90 PolarHBondContact OG-N 2.93Å; Q88-K90 VanDerWaalsContact C-N 3.29Å; Q88-K90 PolarHBondContact O-N 2.72Å; K90-D342 WeakPolarHBondContact CE-OD1 3.37Å; K90-D342 IonicContact NZ-OD1 3.65Å; K90-D342 PolarHBondContact NZ-OD1 3.42Å; K90-D342 IonicContact NZ-OD2 2.65Å
91M93.8Very high94.8Very high12 Ų1234 Ų346%0.05917%0.17CC..SBendtrans-145.3111.7-175.5-170.5-172.4-67.600110V83 T86 S87 E95 R96 T116V83-M91 HydrophobicContact CG1-SD 4.31Å; T86-M91 HydrophobicContact CG2-CB 3.81Å; T86-M91 HydrophobicContact CG2-CE 4.44Å; S87-M91 PolarHBondContact O-N 3.27Å; M91-E95 HydrophobicContact CG-CB 4.16Å; M91-E95 HydrophobicContact CG-CG 3.9Å; M91-R96 HydrophobicContact CG-CB 3.93Å; M91-R96 PolarHBondContact O-NH2 3Å; M91-R96 WeakPolarHBondContact SD-CA 3.19Å; M91-R96 HydrophobicContact SD-CB 3.63Å; M91-R96 HydrophobicContact SD-CG 3.78Å; M91-T116 HydrophobicContact CE-CG2 3.41Å; M91-T116 VanDerWaalsContact CE-CG2 3.41Å
92G94.6Very high94.8Very high30 Ų3033.9 Ų33.931%0.30917%0.169SC..  trans-63157.3179.100000112N94 E95 R96G92-N94 VanDerWaalsContact C-N 3.29Å; G92-N94 PolarHBondContact O-N 2.98Å; G92-E95 PolarHBondContact O-N 3.45Å; G92-R96 WeakPolarHBondContact O-CB 3.33Å; G92-R96 PolarHBondContact O-N 3.22Å
93I95.2Very high94.9Very high25 Ų2533.2 Ų33.213%0.12817%0.167CC..Hα-helixtrans-57.2-40.5-175.2-69.3162.1000112.2T97 Q298 F301 R302I93-T97 WeakPolarHBondContact O-CB 3.15Å; I93-T97 PolarHBondContact O-N 3.43Å; I93-T97 PolarHBondContact O-OG1 3.22Å; I93-Q298 HydrophobicContact CG2-CB 4.18Å; I93-Q298 HydrophobicContact CG2-CG 4.1Å; I93-F301 HydrophobicContact CG1-CB 4.47Å; I93-F301 HydrophobicContact CG2-CB 4.28Å; I93-R302 HydrophobicContact CD1-CG 3.74Å
94N95.3Very high94.9Very high85 Ų8533.2 Ų33.246%0.45517%0.166SC..Hα-helixtrans-65-52.7179.1-68-14.3000111.6G92 R96 T97 E98 Q298G92-N94 VanDerWaalsContact C-N 3.29Å; G92-N94 PolarHBondContact O-N 2.98Å; N94-R96 VanDerWaalsContact C-N 3.29Å; N94-R96 PolarHBondContact O-N 3.47Å; N94-T97 WeakPolarHBondContact O-CB 3.44Å; N94-T97 PolarHBondContact O-N 3.2Å; N94-T97 VanDerWaalsContact O-N 3.14Å; N94-E98 WeakPolarHBondContact O-CG 3.41Å; N94-E98 PolarHBondContact O-N 3.49Å; N94-Q298 PolarHBondContact OD1-NE2 2.91Å
95E95.5Very high94.9Very high89 Ų8933.2 Ų33.242%0.41617%0.167SC..Hα-helixtrans-57.1-44.8177.2-179.1-177.8-16600111.2M91 G92 T97 E98 V99M91-E95 HydrophobicContact CG-CB 4.16Å; M91-E95 HydrophobicContact CG-CG 3.9Å; G92-E95 PolarHBondContact O-N 3.45Å; E95-T97 VanDerWaalsContact C-N 3.31Å; E95-T97 PolarHBondContact O-N 2.93Å; E95-E98 PolarHBondContact O-N 3.41Å; E95-V99 HydrophobicContact CG-CG2 4.39Å; E95-V99 WeakPolarHBondContact O-CB 3.41Å; E95-V99 WeakPolarHBondContact O-CG2 3.19Å; E95-V99 PolarHBondContact O-N 3.31Å
96R96.8Very high95Very high0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-59.8-40.8176.6-168.6-174.1-50.9-171.72.7112.9V83 T84 T86 S87 M91 G92 N94 F100 F301V83-R96 HydrophobicContact CG1-CG 3.96Å; V83-R96 WeakPolarHBondContact O-CD 3.16Å; T84-R96 PolarHBondContact O-NH1 2.97Å; T86-R96 PolarHBondContact O-NH1 3.09Å; T86-R96 PolarHBondContact O-NH2 3.16Å; S87-R96 PolarHBondContact O-NH2 3.29Å; M91-R96 HydrophobicContact CG-CB 3.93Å; M91-R96 PolarHBondContact O-NH2 3Å; M91-R96 WeakPolarHBondContact SD-CA 3.19Å; M91-R96 HydrophobicContact SD-CB 3.63Å; M91-R96 HydrophobicContact SD-CG 3.78Å; G92-R96 WeakPolarHBondContact O-CB 3.33Å; G92-R96 PolarHBondContact O-N 3.22Å; N94-R96 VanDerWaalsContact C-N 3.29Å; N94-R96 PolarHBondContact O-N 3.47Å; R96-F100 WeakPolarHBondContact O-CB 3.28Å; R96-F100 PolarHBondContact O-N 2.96Å; R96-F301 HydrophobicContact CB-CD2 4.25Å; R96-F301 HydrophobicContact CB-CE2 4.11Å; R96-F301 HydrophobicContact CG-CD2 4.02Å; R96-F301 HydrophobicContact CG-CE2 3.68Å; R96-F301 HydrophobicContact CG-CZ 4.01Å
97T97.8Very high95.1Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-65.4-44177.4-53.50000111.1I93 N94 E95 L101 F294 L297 Q298 F301I93-T97 WeakPolarHBondContact O-CB 3.15Å; I93-T97 PolarHBondContact O-N 3.43Å; I93-T97 PolarHBondContact O-OG1 3.22Å; N94-T97 WeakPolarHBondContact O-CB 3.44Å; N94-T97 PolarHBondContact O-N 3.2Å; N94-T97 VanDerWaalsContact O-N 3.14Å; E95-T97 VanDerWaalsContact C-N 3.31Å; E95-T97 PolarHBondContact O-N 2.93Å; T97-L101 HydrophobicContact CG2-CD1 4.07Å; T97-L101 WeakPolarHBondContact O-CB 3.5Å; T97-L101 WeakPolarHBondContact O-CG 3.42Å; T97-L101 PolarHBondContact O-N 3.49Å; T97-F294 HydrophobicContact CG2-CB 4.4Å; T97-F294 HydrophobicContact CG2-CD1 4.46Å; T97-F294 HydrophobicContact CG2-CD2 3.39Å; T97-F294 HydrophobicContact CG2-CE2 3.63Å; T97-F294 HydrophobicContact CG2-CG 3.84Å; T97-F294 HydrophobicContact CG2-CZ 4.29Å; T97-L297 HydrophobicContact CG2-CB 3.87Å; T97-L297 HydrophobicContact CG2-CD1 4.48Å; T97-Q298 HydrophobicContact CG2-CG 4.19Å; T97-Q298 WeakPolarHBondContact OG1-CG 3.45Å; T97-F301 WeakPolarHBondContact OG1-CD2 3.46Å
98E97.1Very high95.4Very high15 Ų1534.7 Ų34.77%0.0717%0.172CC..Hα-helixtrans-61.8-51.1175.4-65.6-179.3-161.100111.7N94 E95 F100 L101 E102 R110 M225 R226 F294N94-E98 WeakPolarHBondContact O-CG 3.41Å; N94-E98 PolarHBondContact O-N 3.49Å; E95-E98 PolarHBondContact O-N 3.41Å; E98-F100 PolarHBondContact O-N 3.36Å; E98-L101 PolarHBondContact O-N 2.97Å; E98-E102 WeakPolarHBondContact O-CB 3.27Å; E98-E102 WeakPolarHBondContact O-CG 3.42Å; E98-E102 PolarHBondContact O-N 3.31Å; E98-R110 IonicContact OE2-CZ 3.75Å; E98-R110 IonicContact OE2-NH1 2.63Å; E98-R110 PolarHBondContact OE2-NH1 3.49Å; E98-R110 IonicContact OE2-NH2 3.58Å; E98-R110 PolarHBondContact OE2-NH2 2.89Å; E98-M225 HydrophobicContact CB-CB 4.43Å; E98-M225 HydrophobicContact CB-CG 3.96Å; E98-M225 HydrophobicContact CG-CB 4.04Å; E98-M225 HydrophobicContact CG-CG 3.79Å; E98-M225 HydrophobicContact CG-SD 4.11Å; E98-R226 IonicContact OE1-CZ 3.1Å; E98-R226 IonicContact OE1-NE 2.71Å; E98-R226 PolarHBondContact OE1-NE 3.45Å; E98-R226 IonicContact OE1-NH2 3.35Å; E98-R226 PolarHBondContact OE1-NH2 2.97Å; E98-R226 IonicContact OE2-CZ 2.65Å; E98-R226 IonicContact OE2-NE 3.41Å; E98-R226 PolarHBondContact OE2-NE 2.68Å; E98-R226 IonicContact OE2-NH2 3.2Å; E98-F294 HydrophobicContact CG-CE2 3.86Å
99V97.7Very high95.8Very high4 Ų429.7 Ų29.72%0.02415%0.149CC..Hα-helixtrans-59.2-45.6178.5167.80000111.2V83 E95 E102 L103 T113 T116V83-V99 HydrophobicContact CG1-CG1 3.95Å; V83-V99 HydrophobicContact CG2-CG1 4.26Å; E95-V99 HydrophobicContact CG-CG2 4.39Å; E95-V99 WeakPolarHBondContact O-CB 3.41Å; E95-V99 WeakPolarHBondContact O-CG2 3.19Å; E95-V99 PolarHBondContact O-N 3.31Å; V99-E102 PolarHBondContact O-N 3.04Å; V99-L103 HydrophobicContact CG1-CD1 3.79Å; V99-L103 HydrophobicContact CG1-CG 4.48Å; V99-L103 WeakPolarHBondContact O-CB 3.48Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.24Å; V99-T113 HydrophobicContact CG1-CG2 4.27Å; V99-T116 HydrophobicContact CG1-CG2 3.87Å
100F98.6Very high96.2Very high0 Ų022.2 Ų22.20%011%0.113CC..Hα-helixtrans-60.6-50.8179.6-176.8-78.7000111P46 L50 L80 V83 R96 E98 E102 L103 F104 F268 L297 F301P46-F100 HydrophobicContact CG-CZ 4.45Å; L50-F100 HydrophobicContact CD1-CE2 4.13Å; L50-F100 HydrophobicContact CD1-CZ 4.21Å; L80-F100 HydrophobicContact CB-CE2 3.92Å; L80-F100 HydrophobicContact CB-CZ 4.49Å; L80-F100 HydrophobicContact CD2-CD2 4.06Å; L80-F100 HydrophobicContact CD2-CE2 3.99Å; L80-F100 HydrophobicContact CD2-CG 4.44Å; L80-F100 HydrophobicContact CD2-CZ 4.29Å; L80-F100 HydrophobicContact CG-CE2 4.46Å; V83-F100 HydrophobicContact CG1-CB 4.31Å; R96-F100 WeakPolarHBondContact O-CB 3.28Å; R96-F100 PolarHBondContact O-N 2.96Å; E98-F100 PolarHBondContact O-N 3.36Å; F100-E102 VanDerWaalsContact C-N 3.34Å; F100-E102 PolarHBondContact O-N 3.38Å; F100-L103 PolarHBondContact O-N 3.05Å; F100-F104 HydrophobicContact CD1-CB 4.28Å; F100-F104 HydrophobicContact CE1-CB 4.2Å; F100-F104 HydrophobicContact CE1-CD2 4.4Å; F100-F104 HydrophobicContact CE1-CG 4.28Å; F100-F104 WeakPolarHBondContact O-CB 3.39Å; F100-F104 PolarHBondContact O-N 3.31Å; F100-F268 AromaticContact CE1-CE2 3.86Å; F100-F268 HydrophobicContact CE1-CE2 3.86Å; F100-F268 HydrophobicContact CE1-CZ 4.25Å; F100-F268 HydrophobicContact CZ-CE2 4.3Å; F100-F268 HydrophobicContact CZ-CZ 4.32Å; F100-L297 HydrophobicContact CD1-CD1 3.47Å; F100-L297 VanDerWaalsContact CD1-CD1 3.47Å; F100-L297 HydrophobicContact CD1-CD2 4.07Å; F100-L297 HydrophobicContact CD1-CG 4.44Å; F100-L297 HydrophobicContact CE1-CD1 3.84Å; F100-L297 HydrophobicContact CE1-CD2 3.84Å; F100-L297 HydrophobicContact CG-CD1 4.36Å; F100-L297 HydrophobicContact CZ-CD2 4.28Å; F100-F301 HydrophobicContact CB-CZ 4.1Å; F100-F301 HydrophobicContact CD2-CZ 4.05Å; F100-F301 HydrophobicContact CG-CZ 4.11Å
101L98.1Very high96.4Very high0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-64.5-38.8-177.9-75.9174.3000112.3T97 E98 F104 G105 F223 M225 F294 L297T97-L101 HydrophobicContact CG2-CD1 4.07Å; T97-L101 WeakPolarHBondContact O-CB 3.5Å; T97-L101 WeakPolarHBondContact O-CG 3.42Å; T97-L101 PolarHBondContact O-N 3.49Å; E98-L101 PolarHBondContact O-N 2.97Å; L101-F104 PolarHBondContact O-N 3.17Å; L101-G105 PolarHBondContact O-N 2.83Å; L101-F223 HydrophobicContact CB-CB 4.09Å; L101-F223 HydrophobicContact CB-CD1 4.35Å; L101-F223 HydrophobicContact CB-CD2 3.93Å; L101-F223 HydrophobicContact CB-CE2 4.45Å; L101-F223 HydrophobicContact CB-CG 3.86Å; L101-F223 HydrophobicContact CD1-CD1 4.24Å; L101-F223 HydrophobicContact CD2-CD1 4.13Å; L101-F223 HydrophobicContact CD2-CD2 4.16Å; L101-F223 HydrophobicContact CD2-CE1 3.84Å; L101-F223 HydrophobicContact CD2-CE2 3.87Å; L101-F223 HydrophobicContact CD2-CG 4.28Å; L101-F223 HydrophobicContact CD2-CZ 3.7Å; L101-F223 HydrophobicContact CG-CD1 4.49Å; L101-F223 HydrophobicContact CG-CG 4.46Å; L101-F223 VanDerWaalsContact O-CD2 3.23Å; L101-F223 WeakPolarHBondContact O-CD2 3.45Å; L101-M225 HydrophobicContact CB-CE 3.73Å; L101-M225 HydrophobicContact CD1-CE 3.41Å; L101-M225 VanDerWaalsContact CD1-CE 3.41Å; L101-M225 HydrophobicContact CG-CE 4.2Å; L101-F294 HydrophobicContact CD1-CB 4.26Å; L101-F294 HydrophobicContact CD1-CD2 4.15Å; L101-L297 HydrophobicContact CD1-CD1 4.1Å; L101-L297 HydrophobicContact CD2-CD1 3.34Å; L101-L297 HydrophobicContact CG-CD1 3.51Å
102E97.6Very high96.4Very high0 Ų023.4 Ų23.40%013%0.126CC..Hα-helixtrans-62.5-49.2174.8-78.4-175.9-153.800112.5E98 V99 F100 F104 N106 I109 R110 T113 Y230E98-E102 WeakPolarHBondContact O-CB 3.27Å; E98-E102 WeakPolarHBondContact O-CG 3.42Å; E98-E102 PolarHBondContact O-N 3.31Å; V99-E102 PolarHBondContact O-N 3.04Å; F100-E102 VanDerWaalsContact C-N 3.34Å; F100-E102 PolarHBondContact O-N 3.38Å; E102-F104 VanDerWaalsContact C-N 3.26Å; E102-F104 PolarHBondContact O-N 3.42Å; E102-N106 WeakPolarHBondContact O-CB 3.4Å; E102-N106 PolarHBondContact O-N 3.09Å; E102-N106 VanDerWaalsContact O-N 3.13Å; E102-I109 HydrophobicContact CB-CG2 3.96Å; E102-R110 IonicContact OE1-CZ 2.78Å; E102-R110 IonicContact OE1-NE 3.98Å; E102-R110 PolarHBondContact OE1-NE 2.99Å; E102-R110 IonicContact OE1-NH2 2.69Å; E102-R110 PolarHBondContact OE1-NH2 3.12Å; E102-R110 PolarHBondContact OE2-N 2.87Å; E102-R110 IonicContact OE2-NE 3.15Å; E102-T113 HydrophobicContact CB-CG2 3.9Å; E102-T113 VanDerWaalsContact OE2-CB 3.28Å; E102-T113 WeakPolarHBondContact OE2-CB 3.48Å; E102-T113 PolarHBondContact OE2-OG1 3.2Å; E102-Y230 HydrophobicContact CG-CE1 3.92Å; E102-Y230 PolarHBondContact OE1-OH 3.08Å; E102-Y230 VanDerWaalsContact OE1-OH 3.08Å
103L98.1Very high96.5Very high1 Ų122 Ų221%0.00511%0.112CC..Hα-helixtrans-65.2-32.9176.7-68.5171.9000112.1L79 L80 V83 V99 F100 I109 T113 L117 N234L79-L103 HydrophobicContact CD2-CD1 4.19Å; L79-L103 HydrophobicContact CD2-CD2 4.37Å; L79-L103 HydrophobicContact CG-CD1 4.37Å; L80-L103 HydrophobicContact CD2-CB 4.11Å; V83-L103 HydrophobicContact CG2-CD1 3.99Å; V99-L103 HydrophobicContact CG1-CD1 3.79Å; V99-L103 HydrophobicContact CG1-CG 4.48Å; V99-L103 WeakPolarHBondContact O-CB 3.48Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.24Å; F100-L103 PolarHBondContact O-N 3.05Å; L103-I109 HydrophobicContact CD2-CD1 4.29Å; L103-T113 HydrophobicContact CD2-CG2 3.95Å; L103-T113 HydrophobicContact CG-CG2 3.83Å; L103-L117 HydrophobicContact CD2-CB 4.17Å; L103-L117 HydrophobicContact CD2-CD1 4.36Å; L103-L117 HydrophobicContact CD2-CD2 4.26Å; L103-N234 PolarHBondContact O-ND2 3.07Å
104F98Very high96.6Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-71.7-54.3-178179.8-107.4000112.3W16 D45 R76 L80 F100 L101 E102 F223 P264 S267 F268W16-F104 HydrophobicContact CB-CE1 4.41Å; W16-F104 HydrophobicContact CB-CE2 3.92Å; W16-F104 HydrophobicContact CB-CZ 3.56Å; W16-F104 HydrophobicContact CG-CZ 4.49Å; D45-F104 HydrophobicContact CB-CD2 4.48Å; D45-F104 HydrophobicContact CB-CE2 3.75Å; R76-F104 PolarHBondContact NH2-O 3.02Å; L80-F104 HydrophobicContact CD1-CD2 4.05Å; L80-F104 HydrophobicContact CD2-CB 4.35Å; F100-F104 HydrophobicContact CD1-CB 4.28Å; F100-F104 HydrophobicContact CE1-CB 4.2Å; F100-F104 HydrophobicContact CE1-CD2 4.4Å; F100-F104 HydrophobicContact CE1-CG 4.28Å; F100-F104 WeakPolarHBondContact O-CB 3.39Å; F100-F104 PolarHBondContact O-N 3.31Å; L101-F104 PolarHBondContact O-N 3.17Å; E102-F104 VanDerWaalsContact C-N 3.26Å; E102-F104 PolarHBondContact O-N 3.42Å; F104-F223 HydrophobicContact CD1-CE2 4.13Å; F104-P264 HydrophobicContact CD1-CB 4.09Å; F104-P264 HydrophobicContact CE1-CB 3.68Å; F104-S267 WeakPolarHBondContact CZ-OG 3.38Å; F104-F268 HydrophobicContact CE1-CD2 4.11Å; F104-F268 HydrophobicContact CE1-CE2 4.21Å; F104-F268 HydrophobicContact CE2-CE2 4.25Å; F104-F268 HydrophobicContact CZ-CD2 4.32Å; F104-F268 HydrophobicContact CZ-CE2 4.03Å
105G96Very high96.6Very high1 Ų123 Ų231%0.0111%0.113CC..Hα-helixtrans-115.2-11.2-165.400000116.6L101L101-G105 PolarHBondContact O-N 2.83Å
106N97.1Very high96.6Very high0 Ų019.4 Ų19.40%010%0.097CC..  trans-104.5135.3-172.3-63.7-8.7000113.1E102 E108 I109 G220 L221 A222 F223 N234 L237E102-N106 WeakPolarHBondContact O-CB 3.4Å; E102-N106 PolarHBondContact O-N 3.09Å; E102-N106 VanDerWaalsContact O-N 3.13Å; N106-E108 VanDerWaalsContact CB-O 3.26Å; N106-E108 WeakPolarHBondContact CB-O 3.49Å; N106-I109 HydrophobicContact CB-CG2 4.46Å; N106-G220 WeakPolarHBondContact CA-O 3.4Å; N106-L221 HydrophobicContact CB-CD1 4.02Å; N106-L221 WeakPolarHBondContact ND2-CD1 3.4Å; N106-A222 PolarHBondContact OD1-N 2.85Å; N106-F223 PolarHBondContact ND2-O 2.98Å; N106-F223 PolarHBondContact OD1-N 2.81Å; N106-N234 VanDerWaalsContact O-CB 3.28Å; N106-N234 WeakPolarHBondContact O-CB 3.44Å; N106-N234 PolarHBondContact O-ND2 2.79Å; N106-L237 VanDerWaalsContact O-CD1 3.22Å; N106-L237 WeakPolarHBondContact O-CD1 3.14Å
107T96.2Very high96.6Very high1 Ų119.4 Ų19.41%0.00610%0.097CC..SBendtrans-70.7-31.4171.850.20000113.2M169 W173 K219 G220 N234T107-M169 HydrophobicContact CG2-CG 4.18Å; T107-M169 HydrophobicContact CG2-SD 3.95Å; T107-M169 WeakPolarHBondContact O-CG 3.21Å; T107-W173 HydrophobicContact CG2-CD2 4.2Å; T107-W173 HydrophobicContact CG2-CE3 3.38Å; T107-W173 HydrophobicContact CG2-CZ3 3.58Å; T107-K219 PolarHBondContact OG1-O 3.29Å; T107-G220 PolarHBondContact N-O 3.17Å; T107-G220 WeakPolarHBondContact OG1-CA 3.13Å; T107-G220 PolarHBondContact OG1-O 2.93Å; T107-N234 WeakPolarHBondContact O-CB 3.47Å; T107-N234 PolarHBondContact O-N 2.76Å
108E95.3Very high96.6Very high50 Ų5023.9 Ų23.923%0.23411%0.114CC..EExtended strand (participates in β ladder)trans-124.2141175.9-66177.3146.300109.3N106 M169 Y230 T232N106-E108 VanDerWaalsContact CB-O 3.26Å; N106-E108 WeakPolarHBondContact CB-O 3.49Å; E108-M169 HydrophobicContact CG-CG 4.5Å; E108-Y230 VanDerWaalsContact O-CD1 3.26Å; E108-Y230 WeakPolarHBondContact O-CD1 3.09Å; E108-T232 CarbonylContact C-O 3.43Å; E108-T232 WeakPolarHBondContact CA-O 3.36Å
109I96.1Very high96.5Very high0 Ų029.4 Ų29.40%013%0.134CC..EExtended strand (participates in β ladder)trans-126.8163-173.456.7174.5000110.5E102 L103 N106 T113 E114 L117 T232 N234E102-I109 HydrophobicContact CB-CG2 3.96Å; L103-I109 HydrophobicContact CD2-CD1 4.29Å; N106-I109 HydrophobicContact CB-CG2 4.46Å; I109-T113 HydrophobicContact CB-CG2 4.08Å; I109-T113 HydrophobicContact CD1-CG2 4.09Å; I109-T113 HydrophobicContact CG2-CG2 4.24Å; I109-E114 HydrophobicContact CD1-CB 4.06Å; I109-E114 HydrophobicContact CG1-CB 4.49Å; I109-L117 HydrophobicContact CD1-CD2 4.33Å; I109-T232 HydrophobicContact CG1-CG2 4.46Å; I109-T232 PolarHBondContact N-O 3.45Å; I109-T232 PolarHBondContact O-N 3.33Å; I109-N234 HydrophobicContact CD1-CB 4.49Å; I109-N234 HydrophobicContact CG1-CB 4.45Å; I109-N234 HydrophobicContact CG2-CB 3.97Å
110R95.9Very high96.5Very high25 Ų2529.2 Ų29.29%0.09413%0.134CC..  trans-73.6157.9173-65.9-178.5-69.1174.91111E98 E102 Q112 T113 E114 Y230E98-R110 IonicContact OE2-CZ 3.75Å; E98-R110 IonicContact OE2-NH1 2.63Å; E98-R110 PolarHBondContact OE2-NH1 3.49Å; E98-R110 IonicContact OE2-NH2 3.58Å; E98-R110 PolarHBondContact OE2-NH2 2.89Å; E102-R110 IonicContact OE1-CZ 2.78Å; E102-R110 IonicContact OE1-NE 3.98Å; E102-R110 PolarHBondContact OE1-NE 2.99Å; E102-R110 IonicContact OE1-NH2 2.69Å; E102-R110 PolarHBondContact OE1-NH2 3.12Å; E102-R110 PolarHBondContact OE2-N 2.87Å; E102-R110 IonicContact OE2-NE 3.15Å; R110-Q112 PolarHBondContact O-N 2.92Å; R110-T113 PolarHBondContact O-N 3.18Å; R110-E114 PolarHBondContact O-N 3.16Å; R110-Y230 HydrophobicContact CG-CD1 4.17Å; R110-Y230 HydrophobicContact CG-CE1 3.88Å
111S94.1Very high96.4Very high55 Ų5529.2 Ų29.239%0.38513%0.134SC..Hα-helixtrans-61-32.1178.2540000113E114 E115S111-E114 WeakPolarHBondContact O-CB 3.4Å; S111-E114 PolarHBondContact O-N 2.64Å; S111-E115 PolarHBondContact O-N 2.83Å
112Q94.3Very high96.3Very high111 Ų11131.5 Ų31.552%0.51915%0.15SC..Hα-helixtrans-67.7-42.2175.9-6284.30.700112.1R110 E114 E115 T116R110-Q112 PolarHBondContact O-N 2.92Å; Q112-E114 VanDerWaalsContact C-N 3.31Å; Q112-E115 PolarHBondContact O-N 3.01Å; Q112-T116 PolarHBondContact O-N 3.42Å; Q112-T116 PolarHBondContact O-OG1 3.48Å; Q112-T116 VanDerWaalsContact O-OG1 3.05Å
113T96.5Very high96.1Very high1 Ų134.6 Ų34.61%0.00616%0.164CC..Hα-helixtrans-64.9-39.2175.5-57.30000110.8V99 E102 L103 I109 R110 T116 L117V99-T113 HydrophobicContact CG1-CG2 4.27Å; E102-T113 HydrophobicContact CB-CG2 3.9Å; E102-T113 VanDerWaalsContact OE2-CB 3.28Å; E102-T113 WeakPolarHBondContact OE2-CB 3.48Å; E102-T113 PolarHBondContact OE2-OG1 3.2Å; L103-T113 HydrophobicContact CD2-CG2 3.95Å; L103-T113 HydrophobicContact CG-CG2 3.83Å; I109-T113 HydrophobicContact CB-CG2 4.08Å; I109-T113 HydrophobicContact CD1-CG2 4.09Å; I109-T113 HydrophobicContact CG2-CG2 4.24Å; R110-T113 PolarHBondContact O-N 3.18Å; T113-T116 WeakPolarHBondContact O-CB 3.5Å; T113-T116 PolarHBondContact O-N 3.45Å; T113-L117 WeakPolarHBondContact O-CB 3.44Å; T113-L117 PolarHBondContact O-N 3.3Å
114E95.9Very high96Very high23 Ų2334.6 Ų34.611%0.10716%0.164CC..Hα-helixtrans-61.2-46.2173.8179-162.516900112.3I109 R110 S111 Q112 T116 L117 R118 Q163 T232I109-E114 HydrophobicContact CD1-CB 4.06Å; I109-E114 HydrophobicContact CG1-CB 4.49Å; R110-E114 PolarHBondContact O-N 3.16Å; S111-E114 WeakPolarHBondContact O-CB 3.4Å; S111-E114 PolarHBondContact O-N 2.64Å; Q112-E114 VanDerWaalsContact C-N 3.31Å; E114-T116 VanDerWaalsContact C-N 3.29Å; E114-T116 PolarHBondContact O-N 2.76Å; E114-L117 WeakPolarHBondContact O-CB 3.43Å; E114-L117 PolarHBondContact O-N 3.16Å; E114-R118 WeakPolarHBondContact O-CG 3.43Å; E114-R118 PolarHBondContact O-N 3.09Å; E114-R118 IonicContact OE1-CZ 3.43Å; E114-R118 VanDerWaalsContact OE1-CZ 3.3Å; E114-R118 IonicContact OE1-NE 2.73Å; E114-R118 PolarHBondContact OE1-NE 2.75Å; E114-R118 IonicContact OE1-NH2 3.24Å; E114-R118 PolarHBondContact OE1-NH2 3.01Å; E114-Q163 VanDerWaalsContact OE1-CD 3.27Å; E114-Q163 PolarHBondContact OE1-NE2 3.06Å; E114-Q163 PolarHBondContact OE1-OE1 3.12Å; E114-T232 HydrophobicContact CB-CG2 4.08Å; E114-T232 HydrophobicContact CG-CG2 3.7Å; E114-T232 WeakPolarHBondContact OE2-CB 3.28Å; E114-T232 WeakPolarHBondContact OE2-CG2 3.22Å; E114-T232 PolarHBondContact OE2-OG1 2.94Å
115E95.5Very high95.9Very high106 Ų10635.7 Ų35.750%0.49517%0.17SC..Hα-helixtrans-59.5-44.3176.5-169.6-167.8145.500111.1S111 Q112 L117 R118 R119S111-E115 PolarHBondContact O-N 2.83Å; Q112-E115 PolarHBondContact O-N 3.01Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 3.43Å; E115-R118 PolarHBondContact O-N 3.43Å; E115-R119 PolarHBondContact O-N 2.96Å; E115-R119 IonicContact OE1-CZ 2.97Å; E115-R119 IonicContact OE1-NH2 2.7Å; E115-R119 PolarHBondContact OE1-NH2 3.47Å
116T96.3Very high95.7Very high14 Ų1439 Ų399%0.08619%0.186CC..Hα-helixtrans-59.8-44.5175.4-61.60000111.7M91 V99 Q112 T113 E114 R118 R119 A120M91-T116 HydrophobicContact CE-CG2 3.41Å; M91-T116 VanDerWaalsContact CE-CG2 3.41Å; V99-T116 HydrophobicContact CG1-CG2 3.87Å; Q112-T116 PolarHBondContact O-N 3.42Å; Q112-T116 PolarHBondContact O-OG1 3.48Å; Q112-T116 VanDerWaalsContact O-OG1 3.05Å; T113-T116 WeakPolarHBondContact O-CB 3.5Å; T113-T116 PolarHBondContact O-N 3.45Å; E114-T116 VanDerWaalsContact C-N 3.29Å; E114-T116 PolarHBondContact O-N 2.76Å; T116-R118 PolarHBondContact O-N 2.99Å; T116-R119 PolarHBondContact O-N 3.31Å; T116-A120 WeakPolarHBondContact O-CB 3.46Å; T116-A120 PolarHBondContact O-N 2.77Å
117L97.5Very high95.3Very high0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-58.4-47.1174.3166.964.7000111.6L79 L103 I109 T113 E114 E115 R119 A120 A121 W160 P235 T236L79-L117 HydrophobicContact CD1-CD1 3.78Å; L79-L117 HydrophobicContact CD2-CD1 3.37Å; L79-L117 HydrophobicContact CG-CD1 4.22Å; L103-L117 HydrophobicContact CD2-CB 4.17Å; L103-L117 HydrophobicContact CD2-CD1 4.36Å; L103-L117 HydrophobicContact CD2-CD2 4.26Å; I109-L117 HydrophobicContact CD1-CD2 4.33Å; T113-L117 WeakPolarHBondContact O-CB 3.44Å; T113-L117 PolarHBondContact O-N 3.3Å; E114-L117 WeakPolarHBondContact O-CB 3.43Å; E114-L117 PolarHBondContact O-N 3.16Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 3.43Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 2.77Å; L117-A120 PolarHBondContact O-N 2.77Å; L117-A121 VanDerWaalsContact O-CB 3.25Å; L117-A121 WeakPolarHBondContact O-CB 3.29Å; L117-A121 PolarHBondContact O-N 3.07Å; L117-W160 HydrophobicContact CD1-CD2 4.44Å; L117-W160 HydrophobicContact CD1-CE3 3.85Å; L117-W160 HydrophobicContact CD1-CZ3 4.39Å; L117-P235 HydrophobicContact CD2-CG 3.68Å; L117-T236 HydrophobicContact CD1-CG2 3.71Å; L117-T236 HydrophobicContact CD2-CG2 4.07Å
118R96.8Very high95.1Very high95 Ų9539.1 Ų39.136%0.35819%0.188SC..Hα-helixtrans-62.4-42.4-179.8-67.3-176.4-173.5-159.33.2111.2E114 E115 T116 S122 Q163E114-R118 WeakPolarHBondContact O-CG 3.43Å; E114-R118 PolarHBondContact O-N 3.09Å; E114-R118 IonicContact OE1-CZ 3.43Å; E114-R118 VanDerWaalsContact OE1-CZ 3.3Å; E114-R118 IonicContact OE1-NE 2.73Å; E114-R118 PolarHBondContact OE1-NE 2.75Å; E114-R118 IonicContact OE1-NH2 3.24Å; E114-R118 PolarHBondContact OE1-NH2 3.01Å; E115-R118 PolarHBondContact O-N 3.43Å; T116-R118 PolarHBondContact O-N 2.99Å; R118-S122 WeakPolarHBondContact O-CB 3.49Å; R118-S122 PolarHBondContact O-N 2.86Å; R118-S122 PolarHBondContact O-OG 3.39Å; R118-Q163 VanDerWaalsContact NH2-NE2 3.13Å
119R95.6Very high94.7Very high130 Ų13039.5 Ų39.549%0.49119%0.193SC..Hα-helixtrans-61.8-50.6176.1-174-179.1-65.6118.75.5111.1E115 T116 L117 A121 S122 Q123E115-R119 PolarHBondContact O-N 2.96Å; E115-R119 IonicContact OE1-CZ 2.97Å; E115-R119 IonicContact OE1-NH2 2.7Å; E115-R119 PolarHBondContact OE1-NH2 3.47Å; T116-R119 PolarHBondContact O-N 3.31Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 2.77Å; R119-A121 PolarHBondContact O-N 2.84Å; R119-S122 WeakPolarHBondContact O-CB 3.33Å; R119-S122 PolarHBondContact O-N 2.74Å; R119-Q123 PolarHBondContact O-N 2.84Å; R119-Q123 VanDerWaalsContact O-N 3.14Å
120A96.5Very high93.6Very high1 Ų146 Ų461%0.00822%0.223CC..Hα-helixtrans-59.7-46.1177.800000112L79 Y82 T116 L117 S122 Q123 L124L79-A120 HydrophobicContact CD1-CB 3.56Å; Y82-A120 HydrophobicContact CD1-CB 3.46Å; Y82-A120 VanDerWaalsContact CD1-CB 3.46Å; Y82-A120 HydrophobicContact CE1-CB 3.52Å; Y82-A120 HydrophobicContact CG-CB 4.26Å; T116-A120 WeakPolarHBondContact O-CB 3.46Å; T116-A120 PolarHBondContact O-N 2.77Å; L117-A120 PolarHBondContact O-N 2.77Å; A120-S122 VanDerWaalsContact C-N 3.26Å; A120-S122 PolarHBondContact O-N 2.95Å; A120-Q123 PolarHBondContact O-N 2.84Å; A120-L124 WeakPolarHBondContact O-CB 3.36Å; A120-L124 WeakPolarHBondContact O-CG 3.26Å; A120-L124 PolarHBondContact O-N 3.47Å
121A97.3Very high92Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-59.3-37.7176.600000112.1L117 R119 L124 I125 F157 W160 I161L117-A121 VanDerWaalsContact O-CB 3.25Å; L117-A121 WeakPolarHBondContact O-CB 3.29Å; L117-A121 PolarHBondContact O-N 3.07Å; R119-A121 PolarHBondContact O-N 2.84Å; A121-L124 PolarHBondContact O-N 3.02Å; A121-I125 VanDerWaalsContact O-CG1 3.28Å; A121-I125 WeakPolarHBondContact O-CG1 3.19Å; A121-I125 PolarHBondContact O-N 3.39Å; A121-F157 HydrophobicContact CB-CB 4.24Å; A121-W160 HydrophobicContact CB-CB 4.49Å; A121-W160 HydrophobicContact CB-CE3 4.33Å; A121-I161 HydrophobicContact CB-CD1 4.21Å; A121-I161 HydrophobicContact CB-CG1 3.86Å
122S95.8Very high90.5Very high48 Ų4848.2 Ų48.234%0.33623%0.232SC..Hα-helixtrans-65.4-43.1177.8-56.20000111.5R118 R119 A120 I125 L126 I161R118-S122 WeakPolarHBondContact O-CB 3.49Å; R118-S122 PolarHBondContact O-N 2.86Å; R118-S122 PolarHBondContact O-OG 3.39Å; R119-S122 WeakPolarHBondContact O-CB 3.33Å; R119-S122 PolarHBondContact O-N 2.74Å; A120-S122 VanDerWaalsContact C-N 3.26Å; A120-S122 PolarHBondContact O-N 2.95Å; S122-I125 PolarHBondContact O-N 3Å; S122-L126 PolarHBondContact O-N 3.29Å; S122-I161 WeakPolarHBondContact OG-CD1 3.42Å
123Q94Very high89Confident64 Ų6451 Ų5130%0.29925%0.246SC..Hα-helixtrans-68-39.5175.6-63.2-59-41.200112.2Y82 R119 A120 I125 L126 S127Y82-Q123 HydrophobicContact CE2-CB 3.83Å; Y82-Q123 HydrophobicContact CE2-CG 4.47Å; R119-Q123 PolarHBondContact O-N 2.84Å; R119-Q123 VanDerWaalsContact O-N 3.14Å; A120-Q123 PolarHBondContact O-N 2.84Å; Q123-I125 VanDerWaalsContact C-N 3.31Å; Q123-I125 PolarHBondContact O-N 2.95Å; Q123-L126 PolarHBondContact O-N 3.36Å; Q123-S127 PolarHBondContact O-N 2.84Å
124L95.6Very high87.9Confident1 Ų157.1 Ų57.11%0.00528%0.278CS..Hα-helixtrans-65.5-33.4177.2-72.5171.8000112.3L78 L79 Y82 A120 A121 S127 V128 L140 F157L78-L124 HydrophobicContact CB-CD1 4.36Å; L78-L124 HydrophobicContact CB-CD2 4.22Å; L79-L124 HydrophobicContact CB-CD1 4.25Å; Y82-L124 HydrophobicContact CD2-CD2 4.19Å; Y82-L124 HydrophobicContact CD2-CG 4.32Å; A120-L124 WeakPolarHBondContact O-CB 3.36Å; A120-L124 WeakPolarHBondContact O-CG 3.26Å; A120-L124 PolarHBondContact O-N 3.47Å; A121-L124 PolarHBondContact O-N 3.02Å; L124-S127 PolarHBondContact O-N 3.34Å; L124-V128 WeakPolarHBondContact O-CG1 3.49Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 3.47Å; L124-L140 HydrophobicContact CD2-CD1 4.34Å; L124-F157 HydrophobicContact CB-CD1 4.5Å; L124-F157 HydrophobicContact CB-CD2 3.97Å; L124-F157 HydrophobicContact CB-CE1 4.23Å; L124-F157 HydrophobicContact CB-CE2 3.68Å; L124-F157 HydrophobicContact CB-CG 4.39Å; L124-F157 HydrophobicContact CB-CZ 3.83Å; L124-F157 HydrophobicContact CD1-CE1 3.91Å; L124-F157 HydrophobicContact CD1-CZ 3.98Å; L124-F157 HydrophobicContact CG-CZ 4.44Å
125I95.3Very high87.1Confident24 Ų2457.9 Ų57.912%0.12329%0.285CS..Hα-helixtrans-57.4-52.9171.5-71.3163000110.1A121 S122 Q123 S127 V128 T129 F157 K158 I161A121-I125 VanDerWaalsContact O-CG1 3.28Å; A121-I125 WeakPolarHBondContact O-CG1 3.19Å; A121-I125 PolarHBondContact O-N 3.39Å; S122-I125 PolarHBondContact O-N 3Å; Q123-I125 VanDerWaalsContact C-N 3.31Å; Q123-I125 PolarHBondContact O-N 2.95Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 2.93Å; I125-V128 WeakPolarHBondContact O-CG2 3.08Å; I125-V128 PolarHBondContact O-N 3.47Å; I125-T129 HydrophobicContact CG2-CG2 4.38Å; I125-T129 WeakPolarHBondContact O-CG2 3.39Å; I125-T129 PolarHBondContact O-N 3Å; I125-T129 PolarHBondContact O-OG1 3.09Å; I125-F157 HydrophobicContact CD1-CB 3.79Å; I125-F157 HydrophobicContact CG1-CB 3.4Å; I125-F157 HydrophobicContact CG1-CD2 4.04Å; I125-F157 HydrophobicContact CG1-CG 4.18Å; I125-K158 HydrophobicContact CD1-CG 3.74Å; I125-I161 HydrophobicContact CD1-CD1 3.51Å
126L91.3Very high86.4Confident69 Ų6956.6 Ų56.636%0.36128%0.28SS..Hα-helixtrans-57.6-46.4179.4-60.3173.9000110.6S122 Q123 V128 T129 E130S122-L126 PolarHBondContact O-N 3.29Å; Q123-L126 PolarHBondContact O-N 3.36Å; L126-V128 PolarHBondContact O-N 3.33Å; L126-T129 PolarHBondContact O-N 3.15Å; L126-E130 WeakPolarHBondContact CD2-OE1 3.42Å; L126-E130 WeakPolarHBondContact O-CB 3.41Å; L126-E130 PolarHBondContact O-N 2.91Å
127S89.6Confident86.1Confident4 Ų456 Ų563%0.02828%0.276CS..Hα-helixtrans-55.7-47.8176.9-170.40000111.8Q123 L124 I125 T131Q123-S127 PolarHBondContact O-N 2.84Å; L124-S127 PolarHBondContact O-N 3.34Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 2.93Å; S127-T131 PolarHBondContact O-OG1 2.97Å
128V91.3Very high85.8Confident1 Ų157.1 Ų57.11%0.00629%0.286CS..Hα-helixtrans-79.7-18.6-176.9-57.20000113.8L124 I125 L126 T142 R150 L153 A154 F157L124-V128 WeakPolarHBondContact O-CG1 3.49Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 3.47Å; I125-V128 WeakPolarHBondContact O-CG2 3.08Å; I125-V128 PolarHBondContact O-N 3.47Å; L126-V128 PolarHBondContact O-N 3.33Å; V128-T142 HydrophobicContact CG1-CG2 4.24Å; V128-R150 PolarHBondContact O-NE 3.01Å; V128-R150 PolarHBondContact O-NH2 3.21Å; V128-L153 HydrophobicContact CG1-CB 4.46Å; V128-L153 HydrophobicContact CG1-CD1 4.05Å; V128-L153 HydrophobicContact CG2-CB 4.27Å; V128-A154 HydrophobicContact CG2-CB 4.25Å; V128-F157 HydrophobicContact CG1-CE2 4.09Å; V128-F157 HydrophobicContact CG2-CD2 4.39Å; V128-F157 HydrophobicContact CG2-CE2 4.25Å
129T86.8Confident85.8Confident57 Ų5752.7 Ų52.735%0.3527%0.269SS..Hα-helixtrans-99.3-37.8-179.156.90000114.4I125 L126 A154I125-T129 HydrophobicContact CG2-CG2 4.38Å; I125-T129 WeakPolarHBondContact O-CG2 3.39Å; I125-T129 PolarHBondContact O-N 3Å; I125-T129 PolarHBondContact O-OG1 3.09Å; L126-T129 PolarHBondContact O-N 3.15Å; T129-A154 HydrophobicContact CG2-CB 3.96Å
130E74.6Confident85.7Confident136 Ų13646.6 Ų46.664%0.63625%0.246SC*.Hα-helixtrans-93.5-31.4-169.1-61.8-178.4167.200113L126 M132L126-E130 WeakPolarHBondContact CD2-OE1 3.42Å; L126-E130 WeakPolarHBondContact O-CB 3.41Å; L126-E130 PolarHBondContact O-N 2.91Å; E130-M132 PolarHBondContact O-N 2.84Å
131T62.5Low85.7Confident32 Ų3247.7 Ų47.720%0.19625%0.252CS..  trans-88.798.7-177.160.40000111.9S127 D134 R150S127-T131 PolarHBondContact O-OG1 2.97Å; T131-D134 WeakPolarHBondContact CB-O 3.45Å; T131-D134 VanDerWaalsContact CG2-O 3.31Å; T131-D134 WeakPolarHBondContact CG2-O 3.34Å; T131-R150 PolarHBondContact O-NH2 3.07Å
132M60.7Low85.6Confident95 Ų9547.8 Ų47.847%0.46825%0.253SS..SBendtrans-88.6-34.6176.8-72.8-75.615500112.5E130 F147 R150E130-M132 PolarHBondContact O-N 2.84Å; M132-F147 HydrophobicContact CE-CD1 4.18Å; M132-F147 HydrophobicContact CE-CE1 3.62Å; M132-F147 HydrophobicContact SD-CE1 3.59Å; M132-F147 VanDerWaalsContact SD-CE1 3.59Å; M132-F147 HydrophobicContact SD-CZ 4.18Å; M132-R150 PolarHBondContact SD-NH1 3.4Å
133E64.8Low85.5Confident171 Ų17147.2 Ų47.280%0.79925%0.247SC*.SBendtrans-107-49.3-171.7-63-177.817300111.8
134D73Confident85.5Confident129 Ų12947.5 Ų47.569%0.6925%0.25SS*.SBendtrans-119.8128.2-177-68.6-44000113T131T131-D134 WeakPolarHBondContact CB-O 3.45Å; T131-D134 VanDerWaalsContact CG2-O 3.31Å; T131-D134 WeakPolarHBondContact CG2-O 3.34Å
135P78.4Confident85.5Confident38 Ų3847.9 Ų47.925%0.24725%0.252CS..  trans-69.1143.3179.731.4-36.4000111.7N137 N141 T143P135-N137 PolarHBondContact O-N 2.75Å; P135-N141 HydrophobicContact CB-CB 3.89Å; P135-N141 HydrophobicContact CG-CB 4.08Å; P135-T143 HydrophobicContact CB-CG2 4.46Å
136M80.9Confident85.5Confident79 Ų7950.5 Ų50.539%0.38926%0.263SS..SBendtrans-56.3-33.4174.4-176.4-179.172.600112.7L343M136-L343 HydrophobicContact CE-CD1 3.79Å
137N90Very high85.6Confident3 Ų353.8 Ų53.82%0.01627%0.274CS..SBendtrans-144.7134.3173.9-172.1-68.9000108.9P135 C139 L140 L343 M344P135-N137 PolarHBondContact O-N 2.75Å; N137-C139 PolarHBondContact O-N 3.01Å; N137-C139 VanDerWaalsContact O-N 3.09Å; N137-C139 WeakPolarHBondContact OD1-CB 3.43Å; N137-C139 PolarHBondContact OD1-N 3.04Å; N137-L140 HydrophobicContact CB-CB 4.38Å; N137-L140 HydrophobicContact CB-CD1 4.29Å; N137-L140 HydrophobicContact CB-CG 4.37Å; N137-L140 PolarHBondContact O-N 2.98Å; N137-L343 HydrophobicContact CB-CD1 4.15Å; N137-M344 PolarHBondContact ND2-O 3.05Å
138A92.3Very high85.9Confident23 Ų2362 Ų6219%0.1931%0.309CS..G310 helixtrans-57.3-27.5-178.700000113.3S350 V351A138-S350 WeakPolarHBondContact O-CA 3.3Å; A138-V351 PolarHBondContact O-N 3.33Å
139C94.8Very high86.2Confident2 Ų262.8 Ų62.81%0.01431%0.313CS..G310 helixtrans-88.13.5178-660000114.4L85 N137 V351L85-C139 HydrophobicContact CD1-CB 3.58Å; L85-C139 HydrophobicContact CD2-CB 4.41Å; N137-C139 PolarHBondContact O-N 3.01Å; N137-C139 VanDerWaalsContact O-N 3.09Å; N137-C139 WeakPolarHBondContact OD1-CB 3.43Å; N137-C139 PolarHBondContact OD1-N 3.04Å; C139-V351 HydrophobicContact CB-CB 4.37Å; C139-V351 HydrophobicContact CB-CG2 3.96Å; C139-V351 WeakPolarHBondContact O-CB 3.42Å
140L94.9Very high86.6Confident2 Ų260.6 Ų60.61%0.0130%0.299CS..G310 helixtrans-127.731.4176.3-61.5176000110.6L78 L81 Y82 L85 L124 N137 T142 L343L78-L140 HydrophobicContact CD2-CB 4.23Å; L78-L140 HydrophobicContact CD2-CD2 3.94Å; L78-L140 WeakPolarHBondContact O-CD2 3.34Å; L81-L140 HydrophobicContact CB-CD2 3.59Å; L81-L140 HydrophobicContact CD1-CD2 4.45Å; Y82-L140 HydrophobicContact CD2-CD1 4.07Å; L85-L140 HydrophobicContact CD1-CD1 4.45Å; L85-L140 HydrophobicContact CD1-CD2 4.35Å; L85-L140 HydrophobicContact CD1-CG 4.09Å; L124-L140 HydrophobicContact CD2-CD1 4.34Å; N137-L140 HydrophobicContact CB-CB 4.38Å; N137-L140 HydrophobicContact CB-CD1 4.29Å; N137-L140 HydrophobicContact CB-CG 4.37Å; N137-L140 PolarHBondContact O-N 2.98Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-L343 HydrophobicContact CD1-CD1 3.62Å
141N95.1Very high87.6Confident24 Ų2459.3 Ų59.313%0.12830%0.296CS..BIsolated β-bridgetrans-75.4116.6-170-178.6-12.5000111.2P135 T143 V351 T352 F353P135-N141 HydrophobicContact CB-CB 3.89Å; P135-N141 HydrophobicContact CG-CB 4.08Å; N141-T143 WeakPolarHBondContact OD1-CG2 3.34Å; N141-T143 PolarHBondContact OD1-N 3.15Å; N141-T143 PolarHBondContact OD1-OG1 3.07Å; N141-V351 VanDerWaalsContact CB-O 3.31Å; N141-V351 WeakPolarHBondContact CB-O 3.11Å; N141-V351 PolarHBondContact N-O 2.65Å; N141-T352 PolarHBondContact ND2-OG1 2.88Å; N141-T352 WeakPolarHBondContact O-CA 3.41Å; N141-F353 PolarHBondContact O-N 3.13Å
142T95.6Very high89.3Confident2 Ų260.7 Ų60.71%0.01230%0.3CS..  trans-115.912.5176.858.80000113.3L78 V128 L140 L144 L145L78-T142 HydrophobicContact CD1-CG2 3.83Å; L78-T142 HydrophobicContact CD2-CG2 3.99Å; V128-T142 HydrophobicContact CG1-CG2 4.24Å; L140-T142 PolarHBondContact O-N 3.38Å; T142-L144 PolarHBondContact O-N 3.37Å; T142-L145 HydrophobicContact CG2-CD1 3.97Å; T142-L145 WeakPolarHBondContact O-CB 3.31Å; T142-L145 PolarHBondContact O-N 3.35Å; T142-L145 VanDerWaalsContact O-N 3.09Å
143T93.6Very high91Very high36 Ų3656.2 Ų56.222%0.22128%0.278CS..THydrogen-bonded Turntrans-64.4-26.2-171.761.90000112.9P135 N141P135-T143 HydrophobicContact CB-CG2 4.46Å; N141-T143 WeakPolarHBondContact OD1-CG2 3.34Å; N141-T143 PolarHBondContact OD1-N 3.15Å; N141-T143 PolarHBondContact OD1-OG1 3.07Å
144L94.6Very high92.6Very high69 Ų6948.3 Ų48.336%0.36124%0.242SC..THydrogen-bonded Turntrans-83.7-9.3178.3-61.5-174.8000114.3W65 T142 T352 L354 P355W65-L144 HydrophobicContact CH2-CD1 4.39Å; W65-L144 HydrophobicContact CZ3-CD1 3.64Å; T142-L144 PolarHBondContact O-N 3.37Å; L144-T352 HydrophobicContact CB-CG2 4.43Å; L144-T352 HydrophobicContact CD1-CG2 3.74Å; L144-T352 HydrophobicContact CG-CG2 4.08Å; L144-L354 HydrophobicContact CB-CD2 4.16Å; L144-L354 HydrophobicContact CD1-CD2 3.58Å; L144-P355 WeakPolarHBondContact O-CD 3.4Å; L144-P355 WeakPolarHBondContact O-CG 3.17Å
145L95.9Very high93.7Very high9 Ų947.5 Ų47.55%0.04723%0.229CC..SBendtrans-67.4146.4175.1-63.8-174.1000110.8M71 T142 E149 R150 L153 F353 L354M71-L145 HydrophobicContact CE-CD1 4.03Å; T142-L145 HydrophobicContact CG2-CD1 3.97Å; T142-L145 WeakPolarHBondContact O-CB 3.31Å; T142-L145 PolarHBondContact O-N 3.35Å; T142-L145 VanDerWaalsContact O-N 3.09Å; L145-E149 HydrophobicContact CB-CB 4.36Å; L145-R150 HydrophobicContact CB-CG 3.81Å; L145-L153 HydrophobicContact CD1-CD1 3.56Å; L145-F353 HydrophobicContact CD2-CB 4.29Å; L145-F353 WeakPolarHBondContact CD2-O 3.34Å; L145-L354 WeakPolarHBondContact CD2-O 3.49Å
146K95.3Very high94.5Very high79 Ų7945.8 Ų45.834%0.34322%0.218SC..  trans-67.9153.4175.2-60.8168.5-170.6155.60110.2K148 E149 R150 P355 D357K146-K148 VanDerWaalsContact C-N 3.27Å; K146-K148 PolarHBondContact O-N 3.5Å; K146-E149 HydrophobicContact CB-CG 4.3Å; K146-E149 WeakPolarHBondContact CB-OE2 3.42Å; K146-E149 WeakPolarHBondContact CG-OE2 3.43Å; K146-E149 PolarHBondContact N-OE2 3.5Å; K146-E149 WeakPolarHBondContact O-CA 3.38Å; K146-E149 WeakPolarHBondContact O-CB 3.42Å; K146-E149 PolarHBondContact O-N 2.89Å; K146-R150 PolarHBondContact O-N 3.04Å; K146-P355 HydrophobicContact CG-CB 4.38Å; K146-P355 HydrophobicContact CG-CG 4.27Å; K146-D357 WeakPolarHBondContact CE-OD1 3.36Å; K146-D357 IonicContact NZ-OD1 2.71Å; K146-D357 PolarHBondContact NZ-OD1 3.48Å; K146-D357 IonicContact NZ-OD2 2.96Å; K146-D357 PolarHBondContact NZ-OD2 2.67Å
147F93.9Very high95.3Very high139 Ų13942 Ų4261%0.6120%0.199SC*.Hα-helixtrans-49.1-47.2174.1-69.2-73.1000112.8M132 E149 R150 D151M132-F147 HydrophobicContact CE-CD1 4.18Å; M132-F147 HydrophobicContact CE-CE1 3.62Å; M132-F147 HydrophobicContact SD-CE1 3.59Å; M132-F147 VanDerWaalsContact SD-CE1 3.59Å; M132-F147 HydrophobicContact SD-CZ 4.18Å; F147-E149 VanDerWaalsContact C-N 3.29Å; F147-E149 PolarHBondContact O-N 2.8Å; F147-R150 PolarHBondContact O-N 3.02Å; F147-R150 VanDerWaalsContact O-N 3.14Å; F147-D151 VanDerWaalsContact O-CG 3.28Å; F147-D151 PolarHBondContact O-N 2.89Å
148K96Very high95.6Very high176 Ų17647 Ų4777%0.76522%0.221SC*.Hα-helixtrans-58.7-37.3176.8-176.5-179.8178.2-177.90113.6K146 E152K146-K148 VanDerWaalsContact C-N 3.27Å; K146-K148 PolarHBondContact O-N 3.5Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 PolarHBondContact O-N 3.33Å; K148-E152 VanDerWaalsContact O-N 3.11Å
149E96.6Very high95.7Very high18 Ų1847.1 Ų47.18%0.08422%0.218CC..Hα-helixtrans-73.1-37.9179-69166.8148.300110.6M71 L145 K146 F147 E152 L153 P355 L356M71-E149 HydrophobicContact CE-CB 3.95Å; M71-E149 HydrophobicContact SD-CB 3.86Å; M71-E149 HydrophobicContact SD-CG 3.97Å; L145-E149 HydrophobicContact CB-CB 4.36Å; K146-E149 HydrophobicContact CB-CG 4.3Å; K146-E149 WeakPolarHBondContact CB-OE2 3.42Å; K146-E149 WeakPolarHBondContact CG-OE2 3.43Å; K146-E149 PolarHBondContact N-OE2 3.5Å; K146-E149 WeakPolarHBondContact O-CA 3.38Å; K146-E149 WeakPolarHBondContact O-CB 3.42Å; K146-E149 PolarHBondContact O-N 2.89Å; F147-E149 VanDerWaalsContact C-N 3.29Å; F147-E149 PolarHBondContact O-N 2.8Å; E149-E152 PolarHBondContact O-N 3.14Å; E149-L153 WeakPolarHBondContact O-CG 3.5Å; E149-L153 PolarHBondContact O-N 2.98Å; E149-P355 WeakPolarHBondContact OE1-CA 3.24Å; E149-P355 WeakPolarHBondContact OE2-CA 3.47Å; E149-P355 VanDerWaalsContact OE2-CB 3.3Å; E149-P355 WeakPolarHBondContact OE2-CB 3.3Å; E149-L356 PolarHBondContact OE1-N 3.27Å
150R95.4Very high95.7Very high11 Ų1147.2 Ų47.24%0.04222%0.218CC..Hα-helixtrans-66.9-41.6174.3-65172.863.31685112.2V128 T131 M132 L145 K146 F147 E152 L153 A154V128-R150 PolarHBondContact O-NE 3.01Å; V128-R150 PolarHBondContact O-NH2 3.21Å; T131-R150 PolarHBondContact O-NH2 3.07Å; M132-R150 PolarHBondContact SD-NH1 3.4Å; L145-R150 HydrophobicContact CB-CG 3.81Å; K146-R150 PolarHBondContact O-N 3.04Å; F147-R150 PolarHBondContact O-N 3.02Å; F147-R150 VanDerWaalsContact O-N 3.14Å; R150-E152 VanDerWaalsContact C-N 3.27Å; R150-E152 PolarHBondContact O-N 3.45Å; R150-L153 WeakPolarHBondContact O-CB 3.34Å; R150-L153 PolarHBondContact O-N 2.94Å; R150-A154 PolarHBondContact O-N 3.08Å
151D96.1Very high95.7Very high108 Ų10849.2 Ų49.258%0.57823%0.228SC*.Hα-helixtrans-60.2-40.8173.5-70-23.3000111F147 A154 R155F147-D151 VanDerWaalsContact O-CG 3.28Å; F147-D151 PolarHBondContact O-N 2.89Å; D151-A154 PolarHBondContact O-N 3.21Å; D151-R155 WeakPolarHBondContact O-CB 3.28Å; D151-R155 PolarHBondContact O-N 3.14Å
152E96.9Very high95.3Very high62 Ų6254 Ų5429%0.2925%0.25SS..Hα-helixtrans-66.3-40.9176.1-177.661.4-173.100112.1M71 K148 E149 R150 R155 I156M71-E152 HydrophobicContact CB-CG 3.86Å; M71-E152 HydrophobicContact CG-CB 4.34Å; M71-E152 HydrophobicContact CG-CG 4Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 PolarHBondContact O-N 3.33Å; K148-E152 VanDerWaalsContact O-N 3.11Å; E149-E152 PolarHBondContact O-N 3.14Å; R150-E152 VanDerWaalsContact C-N 3.27Å; R150-E152 PolarHBondContact O-N 3.45Å; E152-R155 WeakPolarHBondContact O-CB 3.13Å; E152-R155 PolarHBondContact O-N 3.2Å; E152-R155 IonicContact OE1-CZ 3.3Å; E152-R155 IonicContact OE1-NE 3.3Å; E152-R155 PolarHBondContact OE1-NE 2.88Å; E152-R155 IonicContact OE1-NH2 2.68Å; E152-R155 PolarHBondContact OE1-NH2 2.96Å; E152-R155 IonicContact OE2-CZ 2.84Å; E152-R155 IonicContact OE2-NE 2.88Å; E152-R155 PolarHBondContact OE2-NE 3.32Å; E152-R155 IonicContact OE2-NH2 3.82Å; E152-I156 HydrophobicContact CG-CD1 4.09Å; E152-I156 VanDerWaalsContact O-CG1 3.29Å; E152-I156 WeakPolarHBondContact O-CG1 3.35Å; E152-I156 PolarHBondContact O-N 3.18Å
153L97.6Very high94.2Very high0 Ų057 Ų570%026%0.264CS..Hα-helixtrans-59-48.4171.7-73.6175.3000111.7M71 V74 A75 L78 V128 L145 E149 R150 R155 I156 F157M71-L153 HydrophobicContact CB-CD2 4.46Å; M71-L153 HydrophobicContact CE-CD1 3.62Å; M71-L153 HydrophobicContact CE-CD2 3.58Å; M71-L153 HydrophobicContact CE-CG 3.37Å; V74-L153 HydrophobicContact CB-CD2 4.3Å; V74-L153 HydrophobicContact CG1-CD1 4.22Å; V74-L153 HydrophobicContact CG1-CD2 4.07Å; A75-L153 HydrophobicContact CB-CD2 3.66Å; L78-L153 HydrophobicContact CD1-CD1 4.09Å; V128-L153 HydrophobicContact CG1-CB 4.46Å; V128-L153 HydrophobicContact CG1-CD1 4.05Å; V128-L153 HydrophobicContact CG2-CB 4.27Å; L145-L153 HydrophobicContact CD1-CD1 3.56Å; E149-L153 WeakPolarHBondContact O-CG 3.5Å; E149-L153 PolarHBondContact O-N 2.98Å; R150-L153 WeakPolarHBondContact O-CB 3.34Å; R150-L153 PolarHBondContact O-N 2.94Å; L153-R155 PolarHBondContact O-N 3.4Å; L153-I156 PolarHBondContact O-N 3.34Å; L153-I156 VanDerWaalsContact O-N 3.12Å; L153-F157 HydrophobicContact CB-CD2 4.42Å; L153-F157 HydrophobicContact CB-CE2 3.94Å; L153-F157 HydrophobicContact CD2-CZ 4.35Å; L153-F157 WeakPolarHBondContact O-CD2 3.36Å; L153-F157 VanDerWaalsContact O-CG 3.32Å; L153-F157 WeakPolarHBondContact O-CG 3.3Å; L153-F157 PolarHBondContact O-N 3.45Å
154A96.8Very high92.6Very high5 Ų559.6 Ų59.64%0.04128%0.28CS..Hα-helixtrans-59.3-38.4177.400000111.4V128 T129 R150 D151 K158V128-A154 HydrophobicContact CG2-CB 4.25Å; T129-A154 HydrophobicContact CG2-CB 3.96Å; R150-A154 PolarHBondContact O-N 3.08Å; D151-A154 PolarHBondContact O-N 3.21Å; A154-K158 WeakPolarHBondContact O-CB 3.18Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 3.03Å
155R96.3Very high91.3Very high113 Ų11357.7 Ų57.743%0.42627%0.273SS..Hα-helixtrans-63.7-44.8174-167-16568.169.43.4112D151 E152 L153 L159D151-R155 WeakPolarHBondContact O-CB 3.28Å; D151-R155 PolarHBondContact O-N 3.14Å; E152-R155 WeakPolarHBondContact O-CB 3.13Å; E152-R155 PolarHBondContact O-N 3.2Å; E152-R155 IonicContact OE1-CZ 3.3Å; E152-R155 IonicContact OE1-NE 3.3Å; E152-R155 PolarHBondContact OE1-NE 2.88Å; E152-R155 IonicContact OE1-NH2 2.68Å; E152-R155 PolarHBondContact OE1-NH2 2.96Å; E152-R155 IonicContact OE2-CZ 2.84Å; E152-R155 IonicContact OE2-NE 2.88Å; E152-R155 PolarHBondContact OE2-NE 3.32Å; E152-R155 IonicContact OE2-NH2 3.82Å; L153-R155 PolarHBondContact O-N 3.4Å; R155-L159 WeakPolarHBondContact O-CB 3.49Å; R155-L159 PolarHBondContact O-N 3.46Å
156I96.6Very high90.4Very high2 Ų263.2 Ų63.21%0.0131%0.309CS..Hα-helixtrans-62-47.3177.7-69.4162.1000110.7M71 A75 E152 L153 L159 W160M71-I156 HydrophobicContact CB-CD1 3.88Å; A75-I156 HydrophobicContact CB-CB 4.48Å; A75-I156 HydrophobicContact CB-CD1 4.47Å; A75-I156 HydrophobicContact CB-CG2 3.78Å; E152-I156 HydrophobicContact CG-CD1 4.09Å; E152-I156 VanDerWaalsContact O-CG1 3.29Å; E152-I156 WeakPolarHBondContact O-CG1 3.35Å; E152-I156 PolarHBondContact O-N 3.18Å; L153-I156 PolarHBondContact O-N 3.34Å; L153-I156 VanDerWaalsContact O-N 3.12Å; I156-L159 WeakPolarHBondContact O-CB 3.31Å; I156-L159 PolarHBondContact O-N 3.39Å; I156-W160 HydrophobicContact CG2-CD2 4.29Å; I156-W160 HydrophobicContact CG2-CH2 4.34Å; I156-W160 HydrophobicContact CG2-CZ2 3.62Å; I156-W160 PolarHBondContact O-N 3.08Å; I156-W160 VanDerWaalsContact O-N 3.08Å
157F97.5Very high90Very high0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-65.4-41.3179.8-62.2-41.4000112.7A75 L78 A121 L124 I125 V128 L153 L159 W160 I161A75-F157 HydrophobicContact CB-CD1 4.42Å; A75-F157 HydrophobicContact CB-CE1 3.65Å; A75-F157 HydrophobicContact CB-CZ 4.04Å; L78-F157 HydrophobicContact CD1-CZ 4.21Å; A121-F157 HydrophobicContact CB-CB 4.24Å; L124-F157 HydrophobicContact CB-CD1 4.5Å; L124-F157 HydrophobicContact CB-CD2 3.97Å; L124-F157 HydrophobicContact CB-CE1 4.23Å; L124-F157 HydrophobicContact CB-CE2 3.68Å; L124-F157 HydrophobicContact CB-CG 4.39Å; L124-F157 HydrophobicContact CB-CZ 3.83Å; L124-F157 HydrophobicContact CD1-CE1 3.91Å; L124-F157 HydrophobicContact CD1-CZ 3.98Å; L124-F157 HydrophobicContact CG-CZ 4.44Å; I125-F157 HydrophobicContact CD1-CB 3.79Å; I125-F157 HydrophobicContact CG1-CB 3.4Å; I125-F157 HydrophobicContact CG1-CD2 4.04Å; I125-F157 HydrophobicContact CG1-CG 4.18Å; V128-F157 HydrophobicContact CG1-CE2 4.09Å; V128-F157 HydrophobicContact CG2-CD2 4.39Å; V128-F157 HydrophobicContact CG2-CE2 4.25Å; L153-F157 HydrophobicContact CB-CD2 4.42Å; L153-F157 HydrophobicContact CB-CE2 3.94Å; L153-F157 HydrophobicContact CD2-CZ 4.35Å; L153-F157 WeakPolarHBondContact O-CD2 3.36Å; L153-F157 VanDerWaalsContact O-CG 3.32Å; L153-F157 WeakPolarHBondContact O-CG 3.3Å; L153-F157 PolarHBondContact O-N 3.45Å; F157-L159 PolarHBondContact O-N 3.28Å; F157-W160 HydrophobicContact CD1-CD2 4.43Å; F157-W160 AromaticContact CD1-CE3 3.64Å; F157-W160 HydrophobicContact CD1-CE3 3.64Å; F157-W160 HydrophobicContact CD1-CH2 4.24Å; F157-W160 AromaticContact CD1-CZ3 3.53Å; F157-W160 HydrophobicContact CD1-CZ3 3.53Å; F157-W160 HydrophobicContact CE1-CE3 4.17Å; F157-W160 HydrophobicContact CE1-CH2 4.05Å; F157-W160 AromaticContact CE1-CZ3 3.56Å; F157-W160 HydrophobicContact CE1-CZ3 3.56Å; F157-W160 WeakPolarHBondContact O-CB 3.46Å; F157-W160 PolarHBondContact O-N 3.19Å; F157-W160 VanDerWaalsContact O-N 3.12Å; F157-I161 WeakPolarHBondContact O-CG1 3.43Å; F157-I161 PolarHBondContact O-N 3.17Å; F157-I161 VanDerWaalsContact O-N 3.08Å
158K96.2Very high89.8Confident108 Ų10858.1 Ų58.147%0.4729%0.292SS..Hα-helixtrans-57.1-38.5173.9-76.5171-175.6175.20111.6I125 A154 I161 Q162I125-K158 HydrophobicContact CD1-CG 3.74Å; A154-K158 WeakPolarHBondContact O-CB 3.18Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 3.03Å; K158-I161 PolarHBondContact O-N 2.78Å; K158-Q162 WeakPolarHBondContact O-CB 3.46Å; K158-Q162 VanDerWaalsContact O-CG 3.28Å; K158-Q162 WeakPolarHBondContact O-CG 3.45Å; K158-Q162 PolarHBondContact O-N 3.46Å
159L94.1Very high89.7Confident24 Ų2449.8 Ų49.813%0.12626%0.255CS..Hα-helixtrans-71-32.2179.6-179.663.4000113R155 I156 F157 Q163 R254R155-L159 WeakPolarHBondContact O-CB 3.49Å; R155-L159 PolarHBondContact O-N 3.46Å; I156-L159 WeakPolarHBondContact O-CB 3.31Å; I156-L159 PolarHBondContact O-N 3.39Å; F157-L159 PolarHBondContact O-N 3.28Å; L159-Q163 PolarHBondContact O-N 2.78Å; L159-Q163 VanDerWaalsContact O-N 3.16Å; L159-R254 VanDerWaalsContact CG-NH2 3.34Å
160W95.5Very high89.6Confident4 Ų452 Ų522%0.01527%0.273CS..Hα-helixtrans-67.9-35.3170.4-64-9.4000112.4A75 R76 L79 L117 A121 I156 F157 P235 T236A75-W160 HydrophobicContact CB-CH2 3.63Å; A75-W160 HydrophobicContact CB-CZ2 3.99Å; A75-W160 HydrophobicContact CB-CZ3 4.44Å; R76-W160 HydrophobicContact CB-CH2 4.46Å; L79-W160 HydrophobicContact CB-CZ3 4.08Å; L79-W160 HydrophobicContact CD2-CE3 4.49Å; L79-W160 HydrophobicContact CD2-CH2 4.37Å; L79-W160 HydrophobicContact CD2-CZ3 3.9Å; L79-W160 HydrophobicContact CG-CZ3 4.48Å; L117-W160 HydrophobicContact CD1-CD2 4.44Å; L117-W160 HydrophobicContact CD1-CE3 3.85Å; L117-W160 HydrophobicContact CD1-CZ3 4.39Å; A121-W160 HydrophobicContact CB-CB 4.49Å; A121-W160 HydrophobicContact CB-CE3 4.33Å; I156-W160 HydrophobicContact CG2-CD2 4.29Å; I156-W160 HydrophobicContact CG2-CH2 4.34Å; I156-W160 HydrophobicContact CG2-CZ2 3.62Å; I156-W160 PolarHBondContact O-N 3.08Å; I156-W160 VanDerWaalsContact O-N 3.08Å; F157-W160 HydrophobicContact CD1-CD2 4.43Å; F157-W160 AromaticContact CD1-CE3 3.64Å; F157-W160 HydrophobicContact CD1-CE3 3.64Å; F157-W160 HydrophobicContact CD1-CH2 4.24Å; F157-W160 AromaticContact CD1-CZ3 3.53Å; F157-W160 HydrophobicContact CD1-CZ3 3.53Å; F157-W160 HydrophobicContact CE1-CE3 4.17Å; F157-W160 HydrophobicContact CE1-CH2 4.05Å; F157-W160 AromaticContact CE1-CZ3 3.56Å; F157-W160 HydrophobicContact CE1-CZ3 3.56Å; F157-W160 WeakPolarHBondContact O-CB 3.46Å; F157-W160 PolarHBondContact O-N 3.19Å; F157-W160 VanDerWaalsContact O-N 3.12Å; W160-P235 HydrophobicContact CB-CG 4.06Å; W160-P235 HydrophobicContact CG-CB 4.35Å; W160-P235 HydrophobicContact CG-CG 3.98Å; W160-P235 PolarHBondContact NE1-O 3.34Å; W160-T236 HydrophobicContact CD2-CG2 4.11Å; W160-T236 HydrophobicContact CE3-CG2 4.19Å; W160-T236 HydrophobicContact CH2-CG2 4.05Å; W160-T236 HydrophobicContact CZ2-CG2 3.97Å; W160-T236 HydrophobicContact CZ3-CG2 4.17Å
161I94.6Very high89.5Confident44 Ų4458.2 Ų58.223%0.22630%0.3CS..Hα-helixtrans-69.4-47.9177-64.4165000111.3A121 S122 I125 F157 K158A121-I161 HydrophobicContact CB-CD1 4.21Å; A121-I161 HydrophobicContact CB-CG1 3.86Å; S122-I161 WeakPolarHBondContact OG-CD1 3.42Å; I125-I161 HydrophobicContact CD1-CD1 3.51Å; F157-I161 WeakPolarHBondContact O-CG1 3.43Å; F157-I161 PolarHBondContact O-N 3.17Å; F157-I161 VanDerWaalsContact O-N 3.08Å; K158-I161 PolarHBondContact O-N 2.78Å
162Q87.2Confident89.4Confident125 Ų12553.8 Ų53.858%0.58428%0.279SS*.Hα-helixtrans-78.2-23.5-172.3-68.5173.7-5.600113.6K158 T164K158-Q162 WeakPolarHBondContact O-CB 3.46Å; K158-Q162 VanDerWaalsContact O-CG 3.28Å; K158-Q162 WeakPolarHBondContact O-CG 3.45Å; K158-Q162 PolarHBondContact O-N 3.46Å; Q162-T164 HydrophobicContact CB-CG2 3.82Å; Q162-T164 PolarHBondContact O-N 2.9Å
163Q71.7Confident89.4Confident64 Ų6451 Ų5130%0.29927%0.265SS..  trans51.429.7-176.9-60.8-172.14.500114.8E114 R118 L159 S165E114-Q163 VanDerWaalsContact OE1-CD 3.27Å; E114-Q163 PolarHBondContact OE1-NE2 3.06Å; E114-Q163 PolarHBondContact OE1-OE1 3.12Å; R118-Q163 VanDerWaalsContact NH2-NE2 3.13Å; L159-Q163 PolarHBondContact O-N 2.78Å; L159-Q163 VanDerWaalsContact O-N 3.16Å; Q163-S165 PolarHBondContact O-N 3.49Å
164T60.8Low89.3Confident91 Ų9153 Ų5356%0.55828%0.276SS*.  trans-72.515.2-177.845.40000113.6Q162 P166Q162-T164 HydrophobicContact CB-CG2 3.82Å; Q162-T164 PolarHBondContact O-N 2.9Å; T164-P166 WeakPolarHBondContact O-CD 3.49Å
165S66.4Low89.1Confident30 Ų3058.1 Ų58.121%0.2130%0.295CS..  trans-79.1123.4-178-161.70000110.6Q163 V167Q163-S165 PolarHBondContact O-N 3.49Å; S165-V167 PolarHBondContact O-N 3.07Å; S165-V167 VanDerWaalsContact O-N 3.13Å; S165-V167 WeakPolarHBondContact OG-CB 3.31Å; S165-V167 WeakPolarHBondContact OG-CG2 3.46Å; S165-V167 PolarHBondContact OG-N 3.46Å
166P76.3Confident89Confident124 Ų12453.1 Ų53.181%0.80528%0.276SS*.  trans-71.90.3171.532.3-36.3000112.5T164 I168T164-P166 WeakPolarHBondContact O-CD 3.49Å; P166-I168 PolarHBondContact O-N 2.85Å
167V86.6Confident88.9Confident27 Ų2753.1 Ų53.116%0.16428%0.277CS..  trans-76.5114.9-176.5-1800000109.6S165 M169 A172 L238 R254S165-V167 PolarHBondContact O-N 3.07Å; S165-V167 VanDerWaalsContact O-N 3.13Å; S165-V167 WeakPolarHBondContact OG-CB 3.31Å; S165-V167 WeakPolarHBondContact OG-CG2 3.46Å; S165-V167 PolarHBondContact OG-N 3.46Å; V167-M169 PolarHBondContact O-N 3.5Å; V167-A172 HydrophobicContact CG1-CB 3.97Å; V167-L238 HydrophobicContact CB-CD1 4.3Å; V167-L238 HydrophobicContact CG1-CD1 4.38Å; V167-L238 HydrophobicContact CG1-CD2 3.99Å; V167-R254 HydrophobicContact CG2-CB 4.3Å; V167-R254 HydrophobicContact CG2-CG 4.34Å; V167-R254 WeakPolarHBondContact CG2-O 3.38Å
168I91.1Very high88.8Confident85 Ų8558.7 Ų58.744%0.43630%0.298SS..  trans-82.1111.9168.3-59.4170.8000107.7P166 S170 K171 A172P166-I168 PolarHBondContact O-N 2.85Å; I168-S170 WeakPolarHBondContact CG2-OG 3.11Å; I168-S170 PolarHBondContact O-N 3.43Å; I168-K171 HydrophobicContact CB-CB 4.31Å; I168-K171 HydrophobicContact CB-CD 4.15Å; I168-K171 HydrophobicContact CB-CG 4.16Å; I168-K171 HydrophobicContact CD1-CD 4.02Å; I168-K171 HydrophobicContact CG2-CB 4.44Å; I168-K171 HydrophobicContact CG2-CD 4.34Å; I168-K171 HydrophobicContact CG2-CG 3.99Å; I168-K171 WeakPolarHBondContact O-CB 3.27Å; I168-K171 PolarHBondContact O-N 2.89Å; I168-K171 VanDerWaalsContact O-N 3.09Å; I168-A172 PolarHBondContact O-N 3Å
169M93.6Very high88.6Confident0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-57.5-44.8-172.6179.959.285.600113.3T107 E108 V167 K171 A172 W173 T233 N234 L237 L238 Y256T107-M169 HydrophobicContact CG2-CG 4.18Å; T107-M169 HydrophobicContact CG2-SD 3.95Å; T107-M169 WeakPolarHBondContact O-CG 3.21Å; E108-M169 HydrophobicContact CG-CG 4.5Å; V167-M169 PolarHBondContact O-N 3.5Å; M169-K171 VanDerWaalsContact C-N 3.26Å; M169-K171 PolarHBondContact O-N 2.85Å; M169-A172 PolarHBondContact O-N 3.41Å; M169-W173 PolarHBondContact O-N 2.79Å; M169-T233 HydrophobicContact CB-CG2 3.79Å; M169-T233 WeakPolarHBondContact CB-OG1 3.47Å; M169-T233 HydrophobicContact CE-CG2 3.94Å; M169-T233 HydrophobicContact CG-CG2 4.43Å; M169-N234 WeakPolarHBondContact CE-O 3.3Å; M169-L237 HydrophobicContact CE-CB 4.38Å; M169-L238 HydrophobicContact CE-CD1 4.5Å; M169-L238 HydrophobicContact CE-CD2 3.47Å; M169-L238 VanDerWaalsContact CE-CD2 3.47Å; M169-L238 HydrophobicContact CE-CG 3.78Å; M169-L238 HydrophobicContact SD-CD2 4.06Å; M169-Y256 HydrophobicContact SD-CD2 4.45Å
170S93.4Very high88.6Confident64 Ų6457.4 Ų57.445%0.44829%0.293SS..Hα-helixtrans-57.7-37177.558.50000113I168 D174I168-S170 WeakPolarHBondContact CG2-OG 3.11Å; I168-S170 PolarHBondContact O-N 3.43Å; S170-D174 VanDerWaalsContact O-CB 3.31Å; S170-D174 WeakPolarHBondContact O-CB 3.23Å; S170-D174 PolarHBondContact O-N 3.28Å
171K94.5Very high88.5Confident143 Ų14357.3 Ų57.362%0.62229%0.292SS*.Hα-helixtrans-71.5-39.7174.5-64.9-174-177.6177.40112.1I168 M169 Y175I168-K171 HydrophobicContact CB-CB 4.31Å; I168-K171 HydrophobicContact CB-CD 4.15Å; I168-K171 HydrophobicContact CB-CG 4.16Å; I168-K171 HydrophobicContact CD1-CD 4.02Å; I168-K171 HydrophobicContact CG2-CB 4.44Å; I168-K171 HydrophobicContact CG2-CD 4.34Å; I168-K171 HydrophobicContact CG2-CG 3.99Å; I168-K171 WeakPolarHBondContact O-CB 3.27Å; I168-K171 PolarHBondContact O-N 2.89Å; I168-K171 VanDerWaalsContact O-N 3.09Å; M169-K171 VanDerWaalsContact C-N 3.26Å; M169-K171 PolarHBondContact O-N 2.85Å; K171-Y175 VanDerWaalsContact O-CB 3.27Å; K171-Y175 WeakPolarHBondContact O-CB 3.38Å; K171-Y175 PolarHBondContact O-N 2.69Å
172A94.4Very high88.4Confident15 Ų1557 Ų5712%0.12430%0.3CS..Hα-helixtrans-64.7-41177.200000111.7V167 I168 M169 R176V167-A172 HydrophobicContact CG1-CB 3.97Å; I168-A172 PolarHBondContact O-N 3Å; M169-A172 PolarHBondContact O-N 3.41Å; A172-R176 PolarHBondContact O-N 3.12Å
173W95.9Very high88.7Confident3 Ų357.6 Ų57.61%0.01131%0.312CS..Hα-helixtrans-65.3-50.5174.1-171.1-88.7000111.7T107 M169 Y175 R176 V177 W216 R217 G220 Y256 I260T107-W173 HydrophobicContact CG2-CD2 4.2Å; T107-W173 HydrophobicContact CG2-CE3 3.38Å; T107-W173 HydrophobicContact CG2-CZ3 3.58Å; M169-W173 PolarHBondContact O-N 2.79Å; W173-Y175 VanDerWaalsContact C-N 3.26Å; W173-Y175 PolarHBondContact O-N 3.25Å; W173-R176 WeakPolarHBondContact O-CA 3.09Å; W173-R176 WeakPolarHBondContact O-CB 3.14Å; W173-R176 PolarHBondContact O-N 2.81Å; W173-V177 WeakPolarHBondContact O-CG2 3.14Å; W173-V177 PolarHBondContact O-N 2.86Å; W173-W216 AromaticContact CH2-CE2 3.98Å; W173-W216 AromaticContact CH2-CZ2 3.96Å; W173-W216 HydrophobicContact CH2-CZ2 3.96Å; W173-W216 AromaticContact CH2-NE1 3.9Å; W173-W216 HydrophobicContact CZ2-CZ2 4.42Å; W173-W216 VanDerWaalsContact CZ2-O 3.31Å; W173-W216 WeakPolarHBondContact CZ2-O 3.35Å; W173-R217 PolarHBondContact NE1-O 2.76Å; W173-G220 VanDerWaalsContact CZ2-CA 3.49Å; W173-Y256 AromaticContact CE3-CD1 3.75Å; W173-Y256 HydrophobicContact CE3-CD1 3.75Å; W173-Y256 HydrophobicContact CE3-CD2 4.43Å; W173-Y256 AromaticContact CE3-CE1 3.72Å; W173-Y256 HydrophobicContact CE3-CE1 3.72Å; W173-Y256 HydrophobicContact CE3-CE2 4.38Å; W173-Y256 HydrophobicContact CE3-CG 4.13Å; W173-Y256 HydrophobicContact CH2-CE1 4.32Å; W173-Y256 AromaticContact CZ3-CD1 3.96Å; W173-Y256 HydrophobicContact CZ3-CD1 3.96Å; W173-Y256 HydrophobicContact CZ3-CD2 4.45Å; W173-Y256 AromaticContact CZ3-CE1 3.42Å; W173-Y256 HydrophobicContact CZ3-CE1 3.42Å; W173-Y256 VanDerWaalsContact CZ3-CE1 3.42Å; W173-Y256 AromaticContact CZ3-CE2 3.96Å; W173-Y256 HydrophobicContact CZ3-CE2 3.96Å; W173-Y256 HydrophobicContact CZ3-CG 4.46Å; W173-Y256 AromaticContact CZ3-CZ 3.42Å; W173-Y256 VanDerWaalsContact CZ3-CZ 3.42Å; W173-I260 HydrophobicContact CD2-CG2 4.19Å; W173-I260 HydrophobicContact CE3-CG2 4.08Å; W173-I260 HydrophobicContact CH2-CB 4.25Å; W173-I260 HydrophobicContact CH2-CG2 3.69Å; W173-I260 HydrophobicContact CZ2-CB 4.03Å; W173-I260 HydrophobicContact CZ2-CG2 3.74Å; W173-I260 HydrophobicContact CZ3-CG2 3.87Å
174D95.6Very high89.7Confident42 Ų4260 Ų6023%0.22532%0.318CS..Hα-helixtrans-60.1-38.4179.4-169.760.4000111.9S170 R176 V177 R178 Y185S170-D174 VanDerWaalsContact O-CB 3.31Å; S170-D174 WeakPolarHBondContact O-CB 3.23Å; S170-D174 PolarHBondContact O-N 3.28Å; D174-R176 VanDerWaalsContact C-N 3.35Å; D174-R176 PolarHBondContact O-N 2.84Å; D174-V177 PolarHBondContact O-N 2.9Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 WeakPolarHBondContact O-CG 3.32Å; D174-R178 PolarHBondContact O-N 3.05Å; D174-R178 IonicContact OD2-CZ 2.76Å; D174-R178 IonicContact OD2-NE 3.44Å; D174-R178 PolarHBondContact OD2-NE 3.07Å; D174-R178 IonicContact OD2-NH2 3.05Å; D174-R178 PolarHBondContact OD2-NH2 3.23Å; D174-Y185 WeakPolarHBondContact OD1-CE2 3.28Å; D174-Y185 PolarHBondContact OD1-OH 2.93Å; D174-Y185 PolarHBondContact OD2-OH 3.4Å
175Y93.7Very high91.3Very high112 Ų11256.9 Ų56.944%0.43930%0.297SS..Hα-helixtrans-56.4-48.2172.1174.4-100.3000111.4K171 W173 V177 R178 Q179 W257K171-Y175 VanDerWaalsContact O-CB 3.27Å; K171-Y175 WeakPolarHBondContact O-CB 3.38Å; K171-Y175 PolarHBondContact O-N 2.69Å; W173-Y175 VanDerWaalsContact C-N 3.26Å; W173-Y175 PolarHBondContact O-N 3.25Å; Y175-V177 PolarHBondContact O-N 2.71Å; Y175-R178 PolarHBondContact O-N 3.37Å; Y175-Q179 HydrophobicContact CD1-CG 4.38Å; Y175-Q179 HydrophobicContact CD2-CG 4.4Å; Y175-Q179 HydrophobicContact CE1-CG 3.95Å; Y175-Q179 HydrophobicContact CE2-CG 3.97Å; Y175-Q179 WeakPolarHBondContact O-CG 3.32Å; Y175-Q179 PolarHBondContact O-N 2.99Å; Y175-W257 HydrophobicContact CE1-CH2 4.12Å; Y175-W257 HydrophobicContact CE1-CZ3 4.3Å
176R93.8Very high92.7Very high8 Ų862.7 Ų62.73%0.0333%0.326CS..Hα-helixtrans-61-44.2176.9-75.2-64.8-56.8-90.2-10.4112.5E8 G9 A172 W173 D174 R178 Q179 H180 Y256 W257 G258 I260E8-R176 PolarHBondContact O-NH2 3.42Å; G9-R176 PolarHBondContact O-NH2 3.41Å; A172-R176 PolarHBondContact O-N 3.12Å; W173-R176 WeakPolarHBondContact O-CA 3.09Å; W173-R176 WeakPolarHBondContact O-CB 3.14Å; W173-R176 PolarHBondContact O-N 2.81Å; D174-R176 VanDerWaalsContact C-N 3.35Å; D174-R176 PolarHBondContact O-N 2.84Å; R176-R178 PolarHBondContact O-N 3.38Å; R176-Q179 PolarHBondContact O-N 2.89Å; R176-H180 WeakPolarHBondContact O-CB 3.42Å; R176-H180 PolarHBondContact O-N 3.17Å; R176-Y256 HydrophobicContact CG-CD1 4.34Å; R176-Y256 WeakPolarHBondContact CG-O 3.43Å; R176-W257 PolarHBondContact NH1-O 3.48Å; R176-W257 VanDerWaalsContact NH1-O 3.11Å; R176-G258 VanDerWaalsContact CZ-O 3.24Å; R176-G258 PolarHBondContact NH1-O 3Å; R176-G258 VanDerWaalsContact NH1-O 3.1Å; R176-G258 PolarHBondContact NH2-O 3.14Å; R176-I260 HydrophobicContact CB-CD1 4.04Å; R176-I260 HydrophobicContact CB-CG2 4.18Å; R176-I260 WeakPolarHBondContact O-CD1 3.36Å
177V95.1Very high93.6Very high3 Ų360.1 Ų60.12%0.01831%0.31CS..Hα-helixtrans-63.8-40.6178.1176.80000111.3W173 D174 Y175 H180 L181 Y185 F192 I260W173-V177 WeakPolarHBondContact O-CG2 3.14Å; W173-V177 PolarHBondContact O-N 2.86Å; D174-V177 PolarHBondContact O-N 2.9Å; Y175-V177 PolarHBondContact O-N 2.71Å; V177-H180 PolarHBondContact O-N 3.31Å; V177-L181 HydrophobicContact CG1-CD1 3.78Å; V177-L181 HydrophobicContact CG1-CG 4.3Å; V177-L181 WeakPolarHBondContact O-CB 3.5Å; V177-L181 WeakPolarHBondContact O-CG 3.32Å; V177-L181 PolarHBondContact O-N 3.34Å; V177-Y185 HydrophobicContact CB-CE2 4.4Å; V177-Y185 HydrophobicContact CG1-CD2 4.02Å; V177-Y185 HydrophobicContact CG1-CE2 3.91Å; V177-F192 HydrophobicContact CG1-CE1 4.35Å; V177-F192 HydrophobicContact CG1-CZ 4.02Å; V177-I260 HydrophobicContact CB-CD1 4.43Å; V177-I260 HydrophobicContact CG2-CD1 3.97Å
178R94.6Very high94Very high117 Ų11761.6 Ų61.644%0.44232%0.315SS..Hα-helixtrans-62.6-44.7174.7-74.9178.5-171.5-89.5-2.5112.3D174 Y175 R176 G182 Y185D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 WeakPolarHBondContact O-CG 3.32Å; D174-R178 PolarHBondContact O-N 3.05Å; D174-R178 IonicContact OD2-CZ 2.76Å; D174-R178 IonicContact OD2-NE 3.44Å; D174-R178 PolarHBondContact OD2-NE 3.07Å; D174-R178 IonicContact OD2-NH2 3.05Å; D174-R178 PolarHBondContact OD2-NH2 3.23Å; Y175-R178 PolarHBondContact O-N 3.37Å; R176-R178 PolarHBondContact O-N 3.38Å; R178-G182 WeakPolarHBondContact O-CA 3.47Å; R178-G182 PolarHBondContact O-N 2.88Å; R178-Y185 HydrophobicContact CB-CD2 4.08Å; R178-Y185 HydrophobicContact CB-CE2 4.34Å; R178-Y185 HydrophobicContact CG-CD1 4.16Å; R178-Y185 HydrophobicContact CG-CD2 3.36Å; R178-Y185 HydrophobicContact CG-CE1 4.15Å; R178-Y185 HydrophobicContact CG-CE2 3.3Å; R178-Y185 HydrophobicContact CG-CG 3.8Å; R178-Y185 PolarHBondContact NH2-OH 2.84Å
179Q91.8Very high94.2Very high87 Ų8765.2 Ų65.241%0.40733%0.327SS..Hα-helixtrans-63.3-45.5177.9-66.9-54.8-73.700111.3E8 Y175 R176E8-Q179 WeakPolarHBondContact OE2-CB 3.26Å; Y175-Q179 HydrophobicContact CD1-CG 4.38Å; Y175-Q179 HydrophobicContact CD2-CG 4.4Å; Y175-Q179 HydrophobicContact CE1-CG 3.95Å; Y175-Q179 HydrophobicContact CE2-CG 3.97Å; Y175-Q179 WeakPolarHBondContact O-CG 3.32Å; Y175-Q179 PolarHBondContact O-N 2.99Å; R176-Q179 PolarHBondContact O-N 2.89Å
180H93.5Very high94.3Very high18 Ų1867.5 Ų67.58%0.08335%0.351CS..Hα-helixtrans-63.9-45.6179.2179-113000113.6R176 V177 R217 I260 D409R176-H180 WeakPolarHBondContact O-CB 3.42Å; R176-H180 PolarHBondContact O-N 3.17Å; V177-H180 PolarHBondContact O-N 3.31Å; H180-R217 PolarHBondContact CE1-NH2 3.24Å; H180-R217 VanDerWaalsContact CE1-NH2 3.33Å; H180-I260 HydrophobicContact CB-CD1 3.73Å; H180-D409 IonicContact CD2-OD1 3.32Å; H180-D409 IonicContact CD2-OD2 2.8Å; H180-D409 IonicContact CE1-OD1 2.66Å; H180-D409 IonicContact NE2-OD1 3.4Å; H180-D409 PolarHBondContact NE2-OD1 2.95Å; H180-D409 IonicContact NE2-OD2 3.71Å
181L93.2Very high94.4Very high2 Ų265.1 Ų65.11%0.0133%0.334CS..Hα-helixtrans-83.7-25.7-175.5-64.8-177.8000113.5V177 T183 R184 Y185 K188 C191 F192V177-L181 HydrophobicContact CG1-CD1 3.78Å; V177-L181 HydrophobicContact CG1-CG 4.3Å; V177-L181 WeakPolarHBondContact O-CB 3.5Å; V177-L181 WeakPolarHBondContact O-CG 3.32Å; V177-L181 PolarHBondContact O-N 3.34Å; L181-T183 PolarHBondContact O-N 3.21Å; L181-R184 HydrophobicContact CB-CB 4.44Å; L181-R184 WeakPolarHBondContact O-CB 3.4Å; L181-R184 PolarHBondContact O-N 2.92Å; L181-Y185 HydrophobicContact CD1-CD2 4.43Å; L181-K188 HydrophobicContact CD1-CB 3.35Å; L181-C191 HydrophobicContact CD2-CB 3.84Å; L181-F192 HydrophobicContact CD1-CE1 3.92Å
182G93.6Very high94.5Very high37 Ų3758.5 Ų58.538%0.38131%0.305SS..G310 helixtrans55-124.7-176.800000111.6R178 R184 Y185R178-G182 WeakPolarHBondContact O-CA 3.47Å; R178-G182 PolarHBondContact O-N 2.88Å; G182-R184 PolarHBondContact O-N 3.43Å; G182-R184 VanDerWaalsContact O-N 3.11Å; G182-Y185 WeakPolarHBondContact O-CB 3.37Å; G182-Y185 PolarHBondContact O-N 2.86Å; G182-Y185 VanDerWaalsContact O-N 3.13Å
183T92.9Very high94.6Very high137 Ų13760.2 Ų60.284%0.8431%0.312SS*.G310 helixtrans-62.1-17.8178.556.40000113.9L181 Y185L181-T183 PolarHBondContact O-N 3.21Å; T183-Y185 VanDerWaalsContact C-N 3.31Å
184R93.3Very high94.6Very high115 Ų11566.7 Ų66.743%0.43434%0.337SS..G310 helixtrans-86.91.7179.1-55.8176.8-69170.50.6113.4L181 G182 D186 S187 K188L181-R184 HydrophobicContact CB-CB 4.44Å; L181-R184 WeakPolarHBondContact O-CB 3.4Å; L181-R184 PolarHBondContact O-N 2.92Å; G182-R184 PolarHBondContact O-N 3.43Å; G182-R184 VanDerWaalsContact O-N 3.11Å; R184-D186 VanDerWaalsContact C-N 3.28Å; R184-D186 PolarHBondContact O-N 3.08Å; R184-S187 CarbonylContact O-C 3.33Å; R184-S187 PolarHBondContact O-N 2.9Å; R184-S187 VanDerWaalsContact O-N 3.09Å; R184-S187 PolarHBondContact O-OG 2.77Å; R184-S187 VanDerWaalsContact O-OG 3.13Å; R184-K188 PolarHBondContact O-N 3Å
185Y95.1Very high94.5Very high25 Ų2565 Ų6510%0.09833%0.328CS..G310 helixtrans-59.9-38.1-177.4177.2-91.6000112.7D174 V177 R178 L181 G182 T183 S187 K188D174-Y185 WeakPolarHBondContact OD1-CE2 3.28Å; D174-Y185 PolarHBondContact OD1-OH 2.93Å; D174-Y185 PolarHBondContact OD2-OH 3.4Å; V177-Y185 HydrophobicContact CB-CE2 4.4Å; V177-Y185 HydrophobicContact CG1-CD2 4.02Å; V177-Y185 HydrophobicContact CG1-CE2 3.91Å; R178-Y185 HydrophobicContact CB-CD2 4.08Å; R178-Y185 HydrophobicContact CB-CE2 4.34Å; R178-Y185 HydrophobicContact CG-CD1 4.16Å; R178-Y185 HydrophobicContact CG-CD2 3.36Å; R178-Y185 HydrophobicContact CG-CE1 4.15Å; R178-Y185 HydrophobicContact CG-CE2 3.3Å; R178-Y185 HydrophobicContact CG-CG 3.8Å; R178-Y185 PolarHBondContact NH2-OH 2.84Å; L181-Y185 HydrophobicContact CD1-CD2 4.43Å; G182-Y185 WeakPolarHBondContact O-CB 3.37Å; G182-Y185 PolarHBondContact O-N 2.86Å; G182-Y185 VanDerWaalsContact O-N 3.13Å; T183-Y185 VanDerWaalsContact C-N 3.31Å; Y185-S187 PolarHBondContact O-N 3.44Å; Y185-K188 HydrophobicContact CD2-CD 4.39Å; Y185-K188 HydrophobicContact CE2-CD 4.02Å; Y185-K188 WeakPolarHBondContact O-CB 3.25Å; Y185-K188 WeakPolarHBondContact O-CG 3.4Å; Y185-K188 PolarHBondContact O-N 3.26Å; Y185-K188 PolarHBondContact OH-NZ 2.93Å
186D94.9Very high94.7Very high153 Ų15359.7 Ų59.782%0.81831%0.307SS*.G310 helixtrans-66.8-23.9179.3-63.3-27.7000112.2R184R184-D186 VanDerWaalsContact C-N 3.28Å; R184-D186 PolarHBondContact O-N 3.08Å
187S94.8Very high94.7Very high70 Ų7062 Ų6249%0.4932%0.322SS..G310 helixtrans-104.225.6173.259.60000113.2R184 Y185 K189 G190 C191R184-S187 CarbonylContact O-C 3.33Å; R184-S187 PolarHBondContact O-N 2.9Å; R184-S187 VanDerWaalsContact O-N 3.09Å; R184-S187 PolarHBondContact O-OG 2.77Å; R184-S187 VanDerWaalsContact O-OG 3.13Å; Y185-S187 PolarHBondContact O-N 3.44Å; S187-K189 VanDerWaalsContact C-N 3.27Å; S187-K189 PolarHBondContact O-N 2.9Å; S187-K189 VanDerWaalsContact O-N 3.09Å; S187-G190 PolarHBondContact O-N 2.92Å; S187-C191 PolarHBondContact O-N 2.92Å
188K95.2Very high94.7Very high58 Ų5865.6 Ų65.625%0.25234%0.339SS..Hα-helixtrans-51.9-37.3-174.361.6-173.3177.8-175.30115.1L181 R184 Y185 G190 C191 F192L181-K188 HydrophobicContact CD1-CB 3.35Å; R184-K188 PolarHBondContact O-N 3Å; Y185-K188 HydrophobicContact CD2-CD 4.39Å; Y185-K188 HydrophobicContact CE2-CD 4.02Å; Y185-K188 WeakPolarHBondContact O-CB 3.25Å; Y185-K188 WeakPolarHBondContact O-CG 3.4Å; Y185-K188 PolarHBondContact O-N 3.26Å; Y185-K188 PolarHBondContact OH-NZ 2.93Å; K188-G190 VanDerWaalsContact C-N 3.3Å; K188-G190 PolarHBondContact O-N 2.71Å; K188-C191 WeakPolarHBondContact O-CB 3.5Å; K188-C191 PolarHBondContact O-N 2.84Å; K188-C191 VanDerWaalsContact O-N 3.15Å; K188-F192 HydrophobicContact CB-CE1 4.1Å; K188-F192 HydrophobicContact CB-CE2 4.41Å; K188-F192 HydrophobicContact CB-CZ 3.96Å; K188-F192 HydrophobicContact CD-CZ 4.39Å; K188-F192 HydrophobicContact CG-CE2 4.48Å; K188-F192 HydrophobicContact CG-CZ 4.39Å; K188-F192 WeakPolarHBondContact O-CD1 3.41Å; K188-F192 WeakPolarHBondContact O-CG 3.34Å; K188-F192 PolarHBondContact O-N 3.26Å
189K95.5Very high94.7Very high160 Ų16061.8 Ų61.870%0.69633%0.326SS*.Hα-helixtrans-60-40.4178.4-67.2-173.1-175.5-178.20112S187 F192 D193S187-K189 VanDerWaalsContact C-N 3.27Å; S187-K189 PolarHBondContact O-N 2.9Å; S187-K189 VanDerWaalsContact O-N 3.09Å; K189-F192 PolarHBondContact O-N 3.43Å; K189-D193 PolarHBondContact O-N 3.16Å
190G95.8Very high94.8Very high48 Ų4857.7 Ų57.750%0.49531%0.307SS..Hα-helixtrans-68.8-37.7175.900000112.2S187 K188 F192 D193 W194S187-G190 PolarHBondContact O-N 2.92Å; K188-G190 VanDerWaalsContact C-N 3.3Å; K188-G190 PolarHBondContact O-N 2.71Å; G190-F192 VanDerWaalsContact C-N 3.33Å; G190-F192 PolarHBondContact O-N 2.69Å; G190-D193 PolarHBondContact O-N 2.97Å; G190-W194 WeakPolarHBondContact O-CB 3.43Å; G190-W194 PolarHBondContact O-N 2.87Å
191C95.1Very high94.8Very high14 Ų1459.8 Ų59.810%0.09532%0.317CS..Hα-helixtrans-62.9-40.7173.1-60.40000111.8L181 S187 K188 W194 D195L181-C191 HydrophobicContact CD2-CB 3.84Å; S187-C191 PolarHBondContact O-N 2.92Å; K188-C191 WeakPolarHBondContact O-CB 3.5Å; K188-C191 PolarHBondContact O-N 2.84Å; K188-C191 VanDerWaalsContact O-N 3.15Å; C191-W194 PolarHBondContact O-N 3.27Å; C191-D195 PolarHBondContact O-N 3.43Å
192F96.8Very high94.8Very high4 Ų465.4 Ų65.42%0.01834%0.343CS..Hα-helixtrans-65-44.7178.4-61-6.8000111.7V177 L181 K188 K189 G190 W194 D195 L196 Y213 V214 R217V177-F192 HydrophobicContact CG1-CE1 4.35Å; V177-F192 HydrophobicContact CG1-CZ 4.02Å; L181-F192 HydrophobicContact CD1-CE1 3.92Å; K188-F192 HydrophobicContact CB-CE1 4.1Å; K188-F192 HydrophobicContact CB-CE2 4.41Å; K188-F192 HydrophobicContact CB-CZ 3.96Å; K188-F192 HydrophobicContact CD-CZ 4.39Å; K188-F192 HydrophobicContact CG-CE2 4.48Å; K188-F192 HydrophobicContact CG-CZ 4.39Å; K188-F192 WeakPolarHBondContact O-CD1 3.41Å; K188-F192 WeakPolarHBondContact O-CG 3.34Å; K188-F192 PolarHBondContact O-N 3.26Å; K189-F192 PolarHBondContact O-N 3.43Å; G190-F192 VanDerWaalsContact C-N 3.33Å; G190-F192 PolarHBondContact O-N 2.69Å; F192-W194 VanDerWaalsContact C-N 3.33Å; F192-W194 PolarHBondContact O-N 2.9Å; F192-D195 PolarHBondContact O-N 2.73Å; F192-L196 WeakPolarHBondContact O-CB 3.31Å; F192-L196 PolarHBondContact O-N 3.07Å; F192-Y213 HydrophobicContact CB-CE1 4.48Å; F192-Y213 VanDerWaalsContact O-CE1 3.3Å; F192-Y213 WeakPolarHBondContact O-CE1 3.44Å; F192-V214 HydrophobicContact CB-CG2 4.12Å; F192-V214 HydrophobicContact CD2-CG1 4.34Å; F192-R217 HydrophobicContact CD1-CB 4.37Å; F192-R217 VanDerWaalsContact CD1-CD 3.48Å; F192-R217 HydrophobicContact CD1-CG 3.74Å; F192-R217 VanDerWaalsContact CD1-CZ 3.48Å; F192-R217 HydrophobicContact CD2-CB 4Å; F192-R217 HydrophobicContact CD2-CG 4.2Å; F192-R217 HydrophobicContact CE1-CB 4.34Å; F192-R217 HydrophobicContact CE1-CG 3.53Å; F192-R217 HydrophobicContact CE2-CB 3.98Å; F192-R217 HydrophobicContact CE2-CG 4.03Å; F192-R217 HydrophobicContact CG-CB 4.2Å; F192-R217 HydrophobicContact CG-CG 4.07Å; F192-R217 HydrophobicContact CZ-CB 4.16Å; F192-R217 HydrophobicContact CZ-CG 3.69Å
193D96.3Very high94.8Very high52 Ų5265.5 Ų65.528%0.27833%0.333SS..Hα-helixtrans-62.7-40.2176.8-162.244000112.5K189 G190 L196 T197 K210K189-D193 PolarHBondContact O-N 3.16Å; G190-D193 PolarHBondContact O-N 2.97Å; D193-L196 PolarHBondContact O-N 3.43Å; D193-T197 WeakPolarHBondContact O-CB 3.5Å; D193-T197 PolarHBondContact O-N 3.45Å; D193-T197 PolarHBondContact O-OG1 2.94Å; D193-K210 WeakPolarHBondContact OD1-CD 3.5Å; D193-K210 WeakPolarHBondContact OD1-CE 3.48Å; D193-K210 IonicContact OD1-NZ 3.68Å; D193-K210 PolarHBondContact OD1-NZ 3.17Å; D193-K210 IonicContact OD2-NZ 3.64Å; D193-K210 PolarHBondContact OD2-NZ 3.24Å
194W95.4Very high94.8Very high138 Ų13862 Ų6252%0.52332%0.324SS..Hα-helixtrans-66.7-47.8177.8-174.188.8000112G190 C191 F192 L196 T197 M198 K199G190-W194 WeakPolarHBondContact O-CB 3.43Å; G190-W194 PolarHBondContact O-N 2.87Å; C191-W194 PolarHBondContact O-N 3.27Å; F192-W194 VanDerWaalsContact C-N 3.33Å; F192-W194 PolarHBondContact O-N 2.9Å; W194-L196 VanDerWaalsContact C-N 3.3Å; W194-L196 PolarHBondContact O-N 2.72Å; W194-T197 PolarHBondContact O-N 3.42Å; W194-M198 HydrophobicContact CD2-CB 4.27Å; W194-M198 HydrophobicContact CD2-CG 4.31Å; W194-M198 HydrophobicContact CG-CG 4.12Å; W194-M198 HydrophobicContact CZ2-CB 4.22Å; W194-M198 VanDerWaalsContact O-CB 3.24Å; W194-M198 WeakPolarHBondContact O-CB 3.38Å; W194-M198 PolarHBondContact O-N 2.79Å; W194-K199 HydrophobicContact CZ3-CD 4.15Å; W194-K199 HydrophobicContact CZ3-CG 4.35Å
195D95.3Very high94.8Very high6 Ų656.5 Ų56.53%0.03230%0.303CS..Hα-helixtrans-64.3-35177.6-72.6-44.9000111.9C191 F192 K199 L200 R217C191-D195 PolarHBondContact O-N 3.43Å; F192-D195 PolarHBondContact O-N 2.73Å; D195-K199 HydrophobicContact CB-CD 4.43Å; D195-K199 VanDerWaalsContact O-CB 3.23Å; D195-K199 WeakPolarHBondContact O-CB 3.22Å; D195-K199 PolarHBondContact O-N 3.37Å; D195-K199 WeakPolarHBondContact OD1-CD 3.21Å; D195-K199 VanDerWaalsContact OD1-CE 3.31Å; D195-K199 WeakPolarHBondContact OD1-CE 3.36Å; D195-K199 IonicContact OD1-NZ 2.64Å; D195-K199 PolarHBondContact OD1-NZ 3.03Å; D195-L200 PolarHBondContact O-N 3.49Å; D195-L200 VanDerWaalsContact O-N 3.14Å; D195-R217 VanDerWaalsContact CB-NH1 3.27Å; D195-R217 IonicContact OD2-CZ 2.76Å; D195-R217 IonicContact OD2-NH1 3.53Å; D195-R217 PolarHBondContact OD2-NH1 3.14Å; D195-R217 IonicContact OD2-NH2 2.7Å; D195-R217 PolarHBondContact OD2-NH2 3.23Å
196L96.4Very high94.7Very high2 Ų256.7 Ų56.71%0.0131%0.313CS..Iπ-helixtrans-63.8-56.2174.2-179.563.7000111.5F192 D193 W194 L200 H201 I208 K210 Y213F192-L196 WeakPolarHBondContact O-CB 3.31Å; F192-L196 PolarHBondContact O-N 3.07Å; D193-L196 PolarHBondContact O-N 3.43Å; W194-L196 VanDerWaalsContact C-N 3.3Å; W194-L196 PolarHBondContact O-N 2.72Å; L196-L200 HydrophobicContact CD1-CB 4.19Å; L196-L200 HydrophobicContact CD1-CD1 3.94Å; L196-L200 WeakPolarHBondContact O-CB 3.4Å; L196-L200 PolarHBondContact O-N 3.12Å; L196-H201 WeakPolarHBondContact CD1-NE2 3.31Å; L196-H201 PolarHBondContact O-N 3.28Å; L196-I208 HydrophobicContact CD1-CB 4.27Å; L196-I208 HydrophobicContact CD1-CG2 4.01Å; L196-K210 VanDerWaalsContact CD2-CA 3.44Å; L196-K210 HydrophobicContact CD2-CB 3.89Å; L196-K210 HydrophobicContact CD2-CG 4.33Å; L196-Y213 HydrophobicContact CB-CD1 3.67Å; L196-Y213 HydrophobicContact CB-CE1 3.95Å; L196-Y213 HydrophobicContact CB-CG 4.32Å; L196-Y213 HydrophobicContact CD1-CD1 4.09Å; L196-Y213 HydrophobicContact CD1-CD2 4.33Å; L196-Y213 HydrophobicContact CD1-CG 3.86Å; L196-Y213 HydrophobicContact CD2-CD1 4.33Å; L196-Y213 HydrophobicContact CD2-CG 4.5Å; L196-Y213 HydrophobicContact CG-CD1 4.25Å; L196-Y213 HydrophobicContact CG-CG 4.46Å
197T95Very high94.8Very high55 Ų5549.7 Ų49.734%0.33728%0.276SS..Iπ-helixtrans-75.4-43.3-169.5-45.10000111.4D193 W194D193-T197 WeakPolarHBondContact O-CB 3.5Å; D193-T197 PolarHBondContact O-N 3.45Å; D193-T197 PolarHBondContact O-OG1 2.94Å; W194-T197 PolarHBondContact O-N 3.42Å
198M94.4Very high94.9Very high79 Ų7946.4 Ų46.439%0.38925%0.252SS..Iπ-helixtrans-92.3-10.9-172.4-55.4-72.295.100113.4W194W194-M198 HydrophobicContact CD2-CB 4.27Å; W194-M198 HydrophobicContact CD2-CG 4.31Å; W194-M198 HydrophobicContact CG-CG 4.12Å; W194-M198 HydrophobicContact CZ2-CB 4.22Å; W194-M198 VanDerWaalsContact O-CB 3.24Å; W194-M198 WeakPolarHBondContact O-CB 3.38Å; W194-M198 PolarHBondContact O-N 2.79Å
199K93.6Very high94.8Very high38 Ų3845.4 Ų45.417%0.16525%0.253CS..Iπ-helixtrans-121.9-54.3177.1-52.3-180168.3161.20113.1W194 D195 K203 L408W194-K199 HydrophobicContact CZ3-CD 4.15Å; W194-K199 HydrophobicContact CZ3-CG 4.35Å; D195-K199 HydrophobicContact CB-CD 4.43Å; D195-K199 VanDerWaalsContact O-CB 3.23Å; D195-K199 WeakPolarHBondContact O-CB 3.22Å; D195-K199 PolarHBondContact O-N 3.37Å; D195-K199 WeakPolarHBondContact OD1-CD 3.21Å; D195-K199 VanDerWaalsContact OD1-CE 3.31Å; D195-K199 WeakPolarHBondContact OD1-CE 3.36Å; D195-K199 IonicContact OD1-NZ 2.64Å; D195-K199 PolarHBondContact OD1-NZ 3.03Å; K199-K203 WeakPolarHBondContact O-CB 3.42Å; K199-K203 VanDerWaalsContact O-CD 3.31Å; K199-K203 WeakPolarHBondContact O-CD 3.29Å; K199-K203 WeakPolarHBondContact O-CG 3.38Å; K199-K203 PolarHBondContact O-N 3.16Å; K199-L408 HydrophobicContact CB-CD2 4.04Å; K199-L408 HydrophobicContact CD-CB 3.97Å; K199-L408 VanDerWaalsContact CD-O 3.23Å; K199-L408 WeakPolarHBondContact CD-O 3.46Å; K199-L408 WeakPolarHBondContact CE-O 3.35Å; K199-L408 PolarHBondContact NZ-O 2.96Å
200L94.1Very high94.8Very high0 Ų043.2 Ų43.20%024%0.243CC..Iπ-helixtrans-70.6-51.7-178.4-79.5168.8000112.1D195 L196 E202 K203 G204 C205 I208 Y213 L266 L408D195-L200 PolarHBondContact O-N 3.49Å; D195-L200 VanDerWaalsContact O-N 3.14Å; L196-L200 HydrophobicContact CD1-CB 4.19Å; L196-L200 HydrophobicContact CD1-CD1 3.94Å; L196-L200 WeakPolarHBondContact O-CB 3.4Å; L196-L200 PolarHBondContact O-N 3.12Å; L200-E202 PolarHBondContact O-N 3.16Å; L200-K203 CarbonylContact O-C 3.59Å; L200-K203 WeakPolarHBondContact O-CA 3.32Å; L200-K203 PolarHBondContact O-N 3.4Å; L200-G204 PolarHBondContact O-N 2.82Å; L200-C205 HydrophobicContact CB-CB 4.1Å; L200-C205 HydrophobicContact CD2-CB 4.14Å; L200-C205 WeakPolarHBondContact O-CB 3.13Å; L200-C205 PolarHBondContact O-N 3.46Å; L200-I208 HydrophobicContact CD1-CD1 4.2Å; L200-I208 HydrophobicContact CD2-CD1 4.3Å; L200-Y213 HydrophobicContact CD1-CD2 3.76Å; L200-Y213 HydrophobicContact CD1-CE2 3.39Å; L200-L266 HydrophobicContact CD2-CD2 4.27Å; L200-L408 HydrophobicContact CD1-CD1 3.88Å; L200-L408 HydrophobicContact CD2-CD1 3.78Å; L200-L408 HydrophobicContact CD2-CD2 4.01Å; L200-L408 HydrophobicContact CD2-CG 4.41Å; L200-L408 HydrophobicContact CG-CD1 3.48Å; L200-L408 VanDerWaalsContact CG-CD1 3.48Å; L200-L408 HydrophobicContact CG-CD2 4.25Å; L200-L408 HydrophobicContact CG-CG 4.5Å
201H95.1Very high94.7Very high63 Ų6348.2 Ų48.229%0.29225%0.254SS..Iπ-helixtrans-65.9-39.9-177.3-67.8-177.9000112L196 K203 G204 C205 I208L196-H201 WeakPolarHBondContact CD1-NE2 3.31Å; L196-H201 PolarHBondContact O-N 3.28Å; H201-K203 PolarHBondContact O-N 2.88Å; H201-G204 PolarHBondContact O-N 3.18Å; H201-C205 PolarHBondContact CD2-O 3.21Å; H201-C205 VanDerWaalsContact CD2-O 3.29Å; H201-I208 PolarHBondContact NE2-O 3.07Å
202E93Very high94.7Very high120 Ų12048.5 Ų48.556%0.56125%0.254SS*.THydrogen-bonded Turntrans-59-28.5172-70.8-165.5-175.700113.1L200 G204L200-E202 PolarHBondContact O-N 3.16Å; E202-G204 VanDerWaalsContact C-N 3.29Å; E202-G204 PolarHBondContact O-N 2.83Å
203K93.1Very high94.7Very high38 Ų3848.3 Ų48.317%0.16525%0.253CS..THydrogen-bonded Turntrans-90.413.4177.6-68175.7174.4-177.10113.6K199 L200 H201 K405 Y406 L408 E415K199-K203 WeakPolarHBondContact O-CB 3.42Å; K199-K203 VanDerWaalsContact O-CD 3.31Å; K199-K203 WeakPolarHBondContact O-CD 3.29Å; K199-K203 WeakPolarHBondContact O-CG 3.38Å; K199-K203 PolarHBondContact O-N 3.16Å; L200-K203 CarbonylContact O-C 3.59Å; L200-K203 WeakPolarHBondContact O-CA 3.32Å; L200-K203 PolarHBondContact O-N 3.4Å; H201-K203 PolarHBondContact O-N 2.88Å; K203-K405 HydrophobicContact CD-CG 4.45Å; K203-K405 WeakPolarHBondContact CD-O 3.44Å; K203-K405 VanDerWaalsContact CE-O 3.23Å; K203-K405 WeakPolarHBondContact CE-O 3.4Å; K203-K405 PolarHBondContact NZ-O 3.13Å; K203-Y406 HydrophobicContact CB-CD1 4.35Å; K203-Y406 HydrophobicContact CB-CE1 3.9Å; K203-Y406 HydrophobicContact CD-CD1 4.48Å; K203-Y406 PolarHBondContact O-OH 3.09Å; K203-L408 HydrophobicContact CD-CD2 4.36Å; K203-E415 VanDerWaalsContact NZ-CD 3.34Å; K203-E415 IonicContact NZ-OE1 3.12Å; K203-E415 PolarHBondContact NZ-OE1 3.25Å; K203-E415 IonicContact NZ-OE2 3.72Å; K203-E415 PolarHBondContact NZ-OE2 2.92Å
204G91.6Very high94.7Very high63 Ų6347.8 Ų47.865%0.64925%0.251SS*.THydrogen-bonded Turntrans87.46.3175.600000114.9L200 H201 E202 G206L200-G204 PolarHBondContact O-N 2.82Å; H201-G204 PolarHBondContact O-N 3.18Å; E202-G204 VanDerWaalsContact C-N 3.29Å; E202-G204 PolarHBondContact O-N 2.83Å; G204-G206 PolarHBondContact O-N 3.41Å
205C94.2Very high94.7Very high0 Ų043.3 Ų43.30%024%0.236CC..  trans-88.137.5179.3-56.30000112.8L200 H201 V207 I208 I270 Y406L200-C205 HydrophobicContact CB-CB 4.1Å; L200-C205 HydrophobicContact CD2-CB 4.14Å; L200-C205 WeakPolarHBondContact O-CB 3.13Å; L200-C205 PolarHBondContact O-N 3.46Å; H201-C205 PolarHBondContact CD2-O 3.21Å; H201-C205 VanDerWaalsContact CD2-O 3.29Å; C205-V207 PolarHBondContact O-N 3.18Å; C205-V207 VanDerWaalsContact O-N 3.08Å; C205-I208 HydrophobicContact CB-CD1 3.88Å; C205-I208 HydrophobicContact CB-CG1 4.29Å; C205-I208 PolarHBondContact O-N 2.67Å; C205-I208 VanDerWaalsContact O-N 3.1Å; C205-I270 HydrophobicContact CB-CG2 4.22Å; C205-Y406 WeakPolarHBondContact SG-CE1 3.46Å
206G93.9Very high94.8Very high29 Ų2943 Ų4330%0.29924%0.235SC..THydrogen-bonded Turntrans-58.2-22.1-177.100000114.6G204 I208 H285G204-G206 PolarHBondContact O-N 3.41Å; G206-I208 VanDerWaalsContact C-N 3.28Å; G206-I208 PolarHBondContact O-N 2.65Å; G206-H285 PolarHBondContact O-CD2 3Å; G206-H285 VanDerWaalsContact O-CD2 3.29Å
207V95.6Very high94.8Very high7 Ų743 Ų434%0.04223%0.234CC..THydrogen-bonded Turntrans-73.1-17.6179.272.40000114.2C205 S209 G269 I270 H285 N287 A289 I292C205-V207 PolarHBondContact O-N 3.18Å; C205-V207 VanDerWaalsContact O-N 3.08Å; V207-S209 PolarHBondContact O-N 2.95Å; V207-S209 VanDerWaalsContact O-N 3.14Å; V207-G269 WeakPolarHBondContact CG1-O 3.35Å; V207-I270 HydrophobicContact CG1-CB 4.37Å; V207-I270 HydrophobicContact CG1-CG2 4.19Å; V207-H285 VanDerWaalsContact CA-CD2 3.49Å; V207-H285 WeakPolarHBondContact CA-CD2 3.38Å; V207-H285 HydrophobicContact CG2-CB 4.07Å; V207-H285 PolarHBondContact N-CD2 3.08Å; V207-H285 PolarHBondContact N-NE2 3.08Å; V207-N287 VanDerWaalsContact CG2-O 3.31Å; V207-N287 WeakPolarHBondContact CG2-O 3.23Å; V207-A289 PolarHBondContact O-N 3.08Å; V207-I292 HydrophobicContact CB-CD1 4.43Å; V207-I292 HydrophobicContact CG1-CD1 4.39Å; V207-I292 HydrophobicContact CG2-CD1 3.42Å; V207-I292 VanDerWaalsContact CG2-CD1 3.42Å
208I96.4Very high94.8Very high0 Ų041.6 Ų41.60%023%0.231CC..SBendtrans-73.7108.9173-57177.7000107.7L196 L200 H201 C205 G206 Y213 Y265 I270 A289L196-I208 HydrophobicContact CD1-CB 4.27Å; L196-I208 HydrophobicContact CD1-CG2 4.01Å; L200-I208 HydrophobicContact CD1-CD1 4.2Å; L200-I208 HydrophobicContact CD2-CD1 4.3Å; H201-I208 PolarHBondContact NE2-O 3.07Å; C205-I208 HydrophobicContact CB-CD1 3.88Å; C205-I208 HydrophobicContact CB-CG1 4.29Å; C205-I208 PolarHBondContact O-N 2.67Å; C205-I208 VanDerWaalsContact O-N 3.1Å; G206-I208 VanDerWaalsContact C-N 3.28Å; G206-I208 PolarHBondContact O-N 2.65Å; I208-Y213 HydrophobicContact CG2-CD2 4.27Å; I208-Y213 HydrophobicContact CG2-CG 4.49Å; I208-Y265 HydrophobicContact CD1-CD2 4.32Å; I208-Y265 HydrophobicContact CG1-CD2 4.41Å; I208-Y265 HydrophobicContact CG2-CD2 3.89Å; I208-Y265 HydrophobicContact CG2-CE2 4.25Å; I208-I270 HydrophobicContact CD1-CG2 3.88Å; I208-I270 HydrophobicContact CG1-CG2 3.95Å; I208-A289 HydrophobicContact CG1-CB 4.04Å
209S94.9Very high94.8Very high37 Ų3744.5 Ų44.526%0.25924%0.241SC..  trans-72.5151.6-178.773.30000112V207 Q211 Q212 Y213V207-S209 PolarHBondContact O-N 2.95Å; V207-S209 VanDerWaalsContact O-N 3.14Å; S209-Q211 VanDerWaalsContact C-N 3.3Å; S209-Q211 PolarHBondContact O-N 3.18Å; S209-Q212 PolarHBondContact O-N 3.14Å; S209-Q212 WeakPolarHBondContact OG-CB 3.31Å; S209-Q212 WeakPolarHBondContact OG-CG 3.13Å; S209-Q212 PolarHBondContact OG-N 3.5Å; S209-Q212 PolarHBondContact OG-OE1 2.9Å; S209-Y213 PolarHBondContact O-N 3.02Å
210K95.3Very high94.9Very high115 Ų11542.7 Ų42.750%0.523%0.234SC..Hα-helixtrans-57.6-42.3177.2-179.8170.6179.1156.30112.8D193 L196 V214D193-K210 WeakPolarHBondContact OD1-CD 3.5Å; D193-K210 WeakPolarHBondContact OD1-CE 3.48Å; D193-K210 IonicContact OD1-NZ 3.68Å; D193-K210 PolarHBondContact OD1-NZ 3.17Å; D193-K210 IonicContact OD2-NZ 3.64Å; D193-K210 PolarHBondContact OD2-NZ 3.24Å; L196-K210 VanDerWaalsContact CD2-CA 3.44Å; L196-K210 HydrophobicContact CD2-CB 3.89Å; L196-K210 HydrophobicContact CD2-CG 4.33Å; K210-V214 HydrophobicContact CG-CG2 4.17Å; K210-V214 VanDerWaalsContact O-CB 3.3Å; K210-V214 WeakPolarHBondContact O-CB 3.33Å; K210-V214 VanDerWaalsContact O-CG2 3.24Å; K210-V214 WeakPolarHBondContact O-CG2 3.49Å; K210-V214 PolarHBondContact O-N 2.99Å
211Q93.8Very high95Very high152 Ų15243.4 Ų43.471%0.7124%0.237SC*.Hα-helixtrans-60.2-52.2179.8-177.9175.6-13.900111S209 Y213 Q215S209-Q211 VanDerWaalsContact C-N 3.3Å; S209-Q211 PolarHBondContact O-N 3.18Å; Q211-Y213 PolarHBondContact O-N 3.32Å; Q211-Q215 WeakPolarHBondContact O-CB 3.38Å; Q211-Q215 PolarHBondContact O-N 2.97Å
212Q94.6Very high95.1Very high21 Ų2140.5 Ų40.510%0.09823%0.225CC..Hα-helixtrans-61.9-44.5179.8-79.4171-33.600112.8S209 W216 Y265 T288S209-Q212 PolarHBondContact O-N 3.14Å; S209-Q212 WeakPolarHBondContact OG-CB 3.31Å; S209-Q212 WeakPolarHBondContact OG-CG 3.13Å; S209-Q212 PolarHBondContact OG-N 3.5Å; S209-Q212 PolarHBondContact OG-OE1 2.9Å; Q212-W216 VanDerWaalsContact O-CB 3.27Å; Q212-W216 WeakPolarHBondContact O-CB 3.14Å; Q212-W216 PolarHBondContact O-N 3.15Å; Q212-Y265 HydrophobicContact CB-CE2 4.31Å; Q212-Y265 PolarHBondContact O-OH 3.02Å; Q212-T288 VanDerWaalsContact NE2-CB 3.27Å; Q212-T288 PolarHBondContact NE2-OG1 3.01Å
213Y97.1Very high95.2Very high0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-68-45.6-178.3-173.9-105.5000112.1F192 L196 L200 I208 S209 Q211 Q215 W216 R217 V261F192-Y213 HydrophobicContact CB-CE1 4.48Å; F192-Y213 VanDerWaalsContact O-CE1 3.3Å; F192-Y213 WeakPolarHBondContact O-CE1 3.44Å; L196-Y213 HydrophobicContact CB-CD1 3.67Å; L196-Y213 HydrophobicContact CB-CE1 3.95Å; L196-Y213 HydrophobicContact CB-CG 4.32Å; L196-Y213 HydrophobicContact CD1-CD1 4.09Å; L196-Y213 HydrophobicContact CD1-CD2 4.33Å; L196-Y213 HydrophobicContact CD1-CG 3.86Å; L196-Y213 HydrophobicContact CD2-CD1 4.33Å; L196-Y213 HydrophobicContact CD2-CG 4.5Å; L196-Y213 HydrophobicContact CG-CD1 4.25Å; L196-Y213 HydrophobicContact CG-CG 4.46Å; L200-Y213 HydrophobicContact CD1-CD2 3.76Å; L200-Y213 HydrophobicContact CD1-CE2 3.39Å; I208-Y213 HydrophobicContact CG2-CD2 4.27Å; I208-Y213 HydrophobicContact CG2-CG 4.49Å; S209-Y213 PolarHBondContact O-N 3.02Å; Q211-Y213 PolarHBondContact O-N 3.32Å; Y213-Q215 VanDerWaalsContact C-N 3.31Å; Y213-Q215 PolarHBondContact O-N 3.29Å; Y213-W216 HydrophobicContact CD2-CE3 4.1Å; Y213-W216 HydrophobicContact CD2-CZ3 4.34Å; Y213-W216 HydrophobicContact CE2-CE3 4.02Å; Y213-W216 AromaticContact CE2-CZ3 3.8Å; Y213-W216 HydrophobicContact CE2-CZ3 3.8Å; Y213-W216 PolarHBondContact O-N 2.82Å; Y213-R217 WeakPolarHBondContact O-CB 3.38Å; Y213-R217 PolarHBondContact O-N 3.29Å; Y213-R217 WeakPolarHBondContact OH-CD 3.4Å; Y213-R217 PolarHBondContact OH-NH1 3.43Å; Y213-V261 VanDerWaalsContact CE2-O 3.27Å; Y213-V261 WeakPolarHBondContact CE2-O 3.33Å; Y213-V261 PolarHBondContact OH-O 3.33Å
214V96.4Very high95.2Very high41 Ų4136.6 Ų36.625%0.24821%0.207CC..Hα-helixtrans-63.8-39.7178.7168.70000111.2F192 K210 G218F192-V214 HydrophobicContact CB-CG2 4.12Å; F192-V214 HydrophobicContact CD2-CG1 4.34Å; K210-V214 HydrophobicContact CG-CG2 4.17Å; K210-V214 VanDerWaalsContact O-CB 3.3Å; K210-V214 WeakPolarHBondContact O-CB 3.33Å; K210-V214 VanDerWaalsContact O-CG2 3.24Å; K210-V214 WeakPolarHBondContact O-CG2 3.49Å; K210-V214 PolarHBondContact O-N 2.99Å; V214-G218 PolarHBondContact O-N 3.42Å
215Q95Very high95.1Very high43 Ų4334 Ų3420%0.20118%0.178CC..Hα-helixtrans-65.8-52.6177.4176164.75.900112.2Q211 Y213 R217 G218 K219 E224Q211-Q215 WeakPolarHBondContact O-CB 3.38Å; Q211-Q215 PolarHBondContact O-N 2.97Å; Y213-Q215 VanDerWaalsContact C-N 3.31Å; Y213-Q215 PolarHBondContact O-N 3.29Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R217 PolarHBondContact O-N 2.7Å; Q215-G218 PolarHBondContact O-N 3.1Å; Q215-K219 PolarHBondContact O-N 3.06Å; Q215-E224 PolarHBondContact NE2-OE1 2.74Å; Q215-E224 PolarHBondContact NE2-OE2 3.01Å; Q215-E224 PolarHBondContact OE1-OE1 3.19Å
216W96.9Very high94.4Very high0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-57.3-48176.6169.171000110.9W16 W173 Q212 Y213 G218 K219 G220 L221 A222 V261 S263 P264 Y265W16-W216 HydrophobicContact CH2-CZ2 4.2Å; W16-W216 AromaticContact CZ2-CZ2 3.78Å; W16-W216 HydrophobicContact CZ2-CZ2 3.78Å; W173-W216 AromaticContact CH2-CE2 3.98Å; W173-W216 AromaticContact CH2-CZ2 3.96Å; W173-W216 HydrophobicContact CH2-CZ2 3.96Å; W173-W216 AromaticContact CH2-NE1 3.9Å; W173-W216 HydrophobicContact CZ2-CZ2 4.42Å; W173-W216 VanDerWaalsContact CZ2-O 3.31Å; W173-W216 WeakPolarHBondContact CZ2-O 3.35Å; Q212-W216 VanDerWaalsContact O-CB 3.27Å; Q212-W216 WeakPolarHBondContact O-CB 3.14Å; Q212-W216 PolarHBondContact O-N 3.15Å; Y213-W216 HydrophobicContact CD2-CE3 4.1Å; Y213-W216 HydrophobicContact CD2-CZ3 4.34Å; Y213-W216 HydrophobicContact CE2-CE3 4.02Å; Y213-W216 AromaticContact CE2-CZ3 3.8Å; Y213-W216 HydrophobicContact CE2-CZ3 3.8Å; Y213-W216 PolarHBondContact O-N 2.82Å; W216-G218 VanDerWaalsContact C-N 3.27Å; W216-G218 PolarHBondContact O-N 3.08Å; W216-K219 PolarHBondContact O-N 2.63Å; W216-G220 WeakPolarHBondContact O-CA 2.96Å; W216-G220 PolarHBondContact O-N 2.97Å; W216-L221 WeakPolarHBondContact CA-O 3.23Å; W216-L221 WeakPolarHBondContact CB-O 3.47Å; W216-L221 PolarHBondContact N-O 2.91Å; W216-A222 HydrophobicContact CB-CB 4.49Å; W216-A222 HydrophobicContact CG-CB 4.19Å; W216-V261 VanDerWaalsContact CH2-N 3.33Å; W216-S263 VanDerWaalsContact CZ2-CA 3.48Å; W216-S263 VanDerWaalsContact CZ3-CB 3.45Å; W216-P264 VanDerWaalsContact CE2-CD 3.49Å; W216-Y265 HydrophobicContact CB-CE2 4.41Å
217R96.3Very high93.7Very high1 Ų150.9 Ų50.90%0.00424%0.241CC..Hα-helixtrans-67.9-30-178.1-162158.4177.2-146.7-8.2113.2W173 H180 F192 D195 Y213 Q215 I260W173-R217 PolarHBondContact NE1-O 2.76Å; H180-R217 PolarHBondContact CE1-NH2 3.24Å; H180-R217 VanDerWaalsContact CE1-NH2 3.33Å; F192-R217 HydrophobicContact CD1-CB 4.37Å; F192-R217 VanDerWaalsContact CD1-CD 3.48Å; F192-R217 HydrophobicContact CD1-CG 3.74Å; F192-R217 VanDerWaalsContact CD1-CZ 3.48Å; F192-R217 HydrophobicContact CD2-CB 4Å; F192-R217 HydrophobicContact CD2-CG 4.2Å; F192-R217 HydrophobicContact CE1-CB 4.34Å; F192-R217 HydrophobicContact CE1-CG 3.53Å; F192-R217 HydrophobicContact CE2-CB 3.98Å; F192-R217 HydrophobicContact CE2-CG 4.03Å; F192-R217 HydrophobicContact CG-CB 4.2Å; F192-R217 HydrophobicContact CG-CG 4.07Å; F192-R217 HydrophobicContact CZ-CB 4.16Å; F192-R217 HydrophobicContact CZ-CG 3.69Å; D195-R217 VanDerWaalsContact CB-NH1 3.27Å; D195-R217 IonicContact OD2-CZ 2.76Å; D195-R217 IonicContact OD2-NH1 3.53Å; D195-R217 PolarHBondContact OD2-NH1 3.14Å; D195-R217 IonicContact OD2-NH2 2.7Å; D195-R217 PolarHBondContact OD2-NH2 3.23Å; Y213-R217 WeakPolarHBondContact O-CB 3.38Å; Y213-R217 PolarHBondContact O-N 3.29Å; Y213-R217 WeakPolarHBondContact OH-CD 3.4Å; Y213-R217 PolarHBondContact OH-NH1 3.43Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R217 PolarHBondContact O-N 2.7Å; R217-I260 WeakPolarHBondContact CD-O 3.45Å; R217-I260 VanDerWaalsContact CG-O 3.3Å; R217-I260 WeakPolarHBondContact CG-O 3.44Å; R217-I260 PolarHBondContact NE-O 3.49Å; R217-I260 VanDerWaalsContact NE-O 3.16Å
218G96.1Very high93Very high26 Ų2651.6 Ų51.627%0.26825%0.25SS..Hα-helixtrans-76.9-36.4177.600000114.8V214 Q215 W216V214-G218 PolarHBondContact O-N 3.42Å; Q215-G218 PolarHBondContact O-N 3.1Å; W216-G218 VanDerWaalsContact C-N 3.27Å; W216-G218 PolarHBondContact O-N 3.08Å
219K93.8Very high92.8Very high140 Ų14057.3 Ų57.361%0.60928%0.279SS*.Hα-helixtrans-127.2-14.3-169.6-62.7-177.5179.3179.70115T107 Q215 W216T107-K219 PolarHBondContact OG1-O 3.29Å; Q215-K219 PolarHBondContact O-N 3.06Å; W216-K219 PolarHBondContact O-N 2.63Å
220G96.1Very high92.7Very high0 Ų056.8 Ų56.80%027%0.272CS..SBendtrans79.516.8-172.100000114.4N106 T107 W173 W216N106-G220 WeakPolarHBondContact CA-O 3.4Å; T107-G220 PolarHBondContact N-O 3.17Å; T107-G220 WeakPolarHBondContact OG1-CA 3.13Å; T107-G220 PolarHBondContact OG1-O 2.93Å; W173-G220 VanDerWaalsContact CZ2-CA 3.49Å; W216-G220 WeakPolarHBondContact O-CA 2.96Å; W216-G220 PolarHBondContact O-N 2.97Å
221L95.6Very high92.4Very high15 Ų1557.4 Ų57.48%0.07928%0.277CS..  trans-102.6105-179.9-169.568.5000110N106 W216 E224 Y230N106-L221 HydrophobicContact CB-CD1 4.02Å; N106-L221 WeakPolarHBondContact ND2-CD1 3.4Å; W216-L221 WeakPolarHBondContact CA-O 3.23Å; W216-L221 WeakPolarHBondContact CB-O 3.47Å; W216-L221 PolarHBondContact N-O 2.91Å; L221-E224 HydrophobicContact CD2-CG 3.59Å; L221-E224 WeakPolarHBondContact CD2-OE2 3.23Å; L221-E224 HydrophobicContact CG-CG 3.92Å; L221-Y230 HydrophobicContact CD1-CD1 3.73Å; L221-Y230 HydrophobicContact CD1-CD2 4.07Å; L221-Y230 HydrophobicContact CD1-CE1 4.2Å; L221-Y230 HydrophobicContact CD1-CG 3.66Å; L221-Y230 HydrophobicContact CD2-CD2 4.05Å; L221-Y230 HydrophobicContact CD2-CG 4.26Å
222A96.6Very high92.3Very high3 Ų351 Ų513%0.02525%0.248CC..  trans-93.1-42.5-177.700000112.9N106 W216 P264 Y265N106-A222 PolarHBondContact OD1-N 2.85Å; W216-A222 HydrophobicContact CB-CB 4.49Å; W216-A222 HydrophobicContact CG-CB 4.19Å; A222-P264 HydrophobicContact CB-CG 3.52Å; A222-Y265 WeakPolarHBondContact CA-OH 2.99Å; A222-Y265 HydrophobicContact CB-CE1 4.01Å; A222-Y265 WeakPolarHBondContact O-CE1 3.44Å; A222-Y265 PolarHBondContact O-OH 2.75Å
223F96.7Very high92.3Very high0 Ų051.9 Ų51.90%026%0.255CS..  trans-118.8107.9-170.6-57.1-72.3000110.5L101 F104 N106 M225 Y230 P264 Y265 Q290L101-F223 HydrophobicContact CB-CB 4.09Å; L101-F223 HydrophobicContact CB-CD1 4.35Å; L101-F223 HydrophobicContact CB-CD2 3.93Å; L101-F223 HydrophobicContact CB-CE2 4.45Å; L101-F223 HydrophobicContact CB-CG 3.86Å; L101-F223 HydrophobicContact CD1-CD1 4.24Å; L101-F223 HydrophobicContact CD2-CD1 4.13Å; L101-F223 HydrophobicContact CD2-CD2 4.16Å; L101-F223 HydrophobicContact CD2-CE1 3.84Å; L101-F223 HydrophobicContact CD2-CE2 3.87Å; L101-F223 HydrophobicContact CD2-CG 4.28Å; L101-F223 HydrophobicContact CD2-CZ 3.7Å; L101-F223 HydrophobicContact CG-CD1 4.49Å; L101-F223 HydrophobicContact CG-CG 4.46Å; L101-F223 VanDerWaalsContact O-CD2 3.23Å; L101-F223 WeakPolarHBondContact O-CD2 3.45Å; F104-F223 HydrophobicContact CD1-CE2 4.13Å; N106-F223 PolarHBondContact ND2-O 2.98Å; N106-F223 PolarHBondContact OD1-N 2.81Å; F223-M225 HydrophobicContact CB-CE 3.9Å; F223-Y230 PolarHBondContact O-OH 3.42Å; F223-P264 HydrophobicContact CE2-CB 4.25Å; F223-P264 HydrophobicContact CE2-CG 4.12Å; F223-Y265 HydrophobicContact CD1-CE1 4.3Å; F223-Y265 AromaticContact CE1-CD1 3.84Å; F223-Y265 HydrophobicContact CE1-CD1 3.84Å; F223-Y265 AromaticContact CE1-CE1 3.86Å; F223-Y265 HydrophobicContact CE1-CE1 3.86Å; F223-Y265 HydrophobicContact CZ-CD1 4Å; F223-Y265 HydrophobicContact CZ-CE1 4.21Å; F223-Q290 VanDerWaalsContact CA-OE1 3.31Å; F223-Q290 HydrophobicContact CD1-CB 4.2Å; F223-Q290 HydrophobicContact CD1-CG 4.04Å
224E93Very high92.3Very high75 Ų7551.9 Ų51.935%0.3526%0.255SS..  trans-103.2113.5176.2-73.9-176-65.500110.4Q215 L221 Y230 Q290Q215-E224 PolarHBondContact NE2-OE1 2.74Å; Q215-E224 PolarHBondContact NE2-OE2 3.01Å; Q215-E224 PolarHBondContact OE1-OE1 3.19Å; L221-E224 HydrophobicContact CD2-CG 3.59Å; L221-E224 WeakPolarHBondContact CD2-OE2 3.23Å; L221-E224 HydrophobicContact CG-CG 3.92Å; E224-Y230 HydrophobicContact CB-CE2 4.32Å; E224-Y230 HydrophobicContact CG-CE2 4.07Å; E224-Q290 PolarHBondContact O-NE2 3.36Å
225M88.3Confident92.2Very high9 Ų950.3 Ų50.34%0.04425%0.246CC..  trans-103.1115.9-176.9-55.9-56.4-17700109.6E98 L101 F223 G228 Y230 F294E98-M225 HydrophobicContact CB-CB 4.43Å; E98-M225 HydrophobicContact CB-CG 3.96Å; E98-M225 HydrophobicContact CG-CB 4.04Å; E98-M225 HydrophobicContact CG-CG 3.79Å; E98-M225 HydrophobicContact CG-SD 4.11Å; L101-M225 HydrophobicContact CB-CE 3.73Å; L101-M225 HydrophobicContact CD1-CE 3.41Å; L101-M225 VanDerWaalsContact CD1-CE 3.41Å; L101-M225 HydrophobicContact CG-CE 4.2Å; F223-M225 HydrophobicContact CB-CE 3.9Å; M225-G228 PolarHBondContact O-N 3.22Å; M225-Y230 PolarHBondContact N-OH 3.21Å; M225-F294 HydrophobicContact CE-CD2 4Å; M225-F294 HydrophobicContact SD-CD2 4.23Å; M225-F294 HydrophobicContact SD-CE2 4.4Å
226R81.1Confident92.3Very high182 Ų18248.4 Ų48.469%0.68724%0.237SC*.THydrogen-bonded Turntrans59.3-154.9177-42.9176.4-170.7-177.50.6110.6E98 G228E98-R226 IonicContact OE1-CZ 3.1Å; E98-R226 IonicContact OE1-NE 2.71Å; E98-R226 PolarHBondContact OE1-NE 3.45Å; E98-R226 IonicContact OE1-NH2 3.35Å; E98-R226 PolarHBondContact OE1-NH2 2.97Å; E98-R226 IonicContact OE2-CZ 2.65Å; E98-R226 IonicContact OE2-NE 3.41Å; E98-R226 PolarHBondContact OE2-NE 2.68Å; E98-R226 IonicContact OE2-NH2 3.2Å; R226-G228 PolarHBondContact O-N 2.82Å; R226-G228 VanDerWaalsContact O-N 3.16Å
227E78.5Confident92.3Very high201 Ų20148.4 Ų48.494%0.93924%0.237SC*.THydrogen-bonded Turntrans-86.345172.6-60.2-177.1162.500111.5
228G81.4Confident92.2Very high23 Ų2348.5 Ų48.524%0.23724%0.237CC..  trans-74.6139.2-175.400000113.9M225 R226 Y230M225-G228 PolarHBondContact O-N 3.22Å; R226-G228 PolarHBondContact O-N 2.82Å; R226-G228 VanDerWaalsContact O-N 3.16Å; G228-Y230 WeakPolarHBondContact O-CD2 3.47Å
229I90.8Very high92.1Very high119 Ų11947.3 Ų47.361%0.6123%0.225SC*.  trans-92.4113173.5-56.2175.3000109.6Q231I229-Q231 HydrophobicContact CG2-CB 4.2Å; I229-Q231 HydrophobicContact CG2-CG 4.18Å
230Y93.3Very high91.9Very high27 Ų2744.1 Ų44.111%0.10622%0.217CC..  trans-93.298.5177.7-66.5-82.8000110.1E102 E108 R110 L221 F223 E224 M225 G228E102-Y230 HydrophobicContact CG-CE1 3.92Å; E102-Y230 PolarHBondContact OE1-OH 3.08Å; E102-Y230 VanDerWaalsContact OE1-OH 3.08Å; E108-Y230 VanDerWaalsContact O-CD1 3.26Å; E108-Y230 WeakPolarHBondContact O-CD1 3.09Å; R110-Y230 HydrophobicContact CG-CD1 4.17Å; R110-Y230 HydrophobicContact CG-CE1 3.88Å; L221-Y230 HydrophobicContact CD1-CD1 3.73Å; L221-Y230 HydrophobicContact CD1-CD2 4.07Å; L221-Y230 HydrophobicContact CD1-CE1 4.2Å; L221-Y230 HydrophobicContact CD1-CG 3.66Å; L221-Y230 HydrophobicContact CD2-CD2 4.05Å; L221-Y230 HydrophobicContact CD2-CG 4.26Å; F223-Y230 PolarHBondContact O-OH 3.42Å; E224-Y230 HydrophobicContact CB-CE2 4.32Å; E224-Y230 HydrophobicContact CG-CE2 4.07Å; M225-Y230 PolarHBondContact N-OH 3.21Å; G228-Y230 WeakPolarHBondContact O-CD2 3.47Å
231Q89.1Confident91.5Very high127 Ų12746.4 Ų46.459%0.59323%0.226SC*.  trans-136.2-13.7-17263.7-168-2.300114I229I229-Q231 HydrophobicContact CG2-CB 4.2Å; I229-Q231 HydrophobicContact CG2-CG 4.18Å
232T92.7Very high91.1Very high19 Ų1949.7 Ų49.712%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-93.9128.6176.1-56.60000109E108 I109 E114 N234E108-T232 CarbonylContact C-O 3.43Å; E108-T232 WeakPolarHBondContact CA-O 3.36Å; I109-T232 HydrophobicContact CG1-CG2 4.46Å; I109-T232 PolarHBondContact N-O 3.45Å; I109-T232 PolarHBondContact O-N 3.33Å; E114-T232 HydrophobicContact CB-CG2 4.08Å; E114-T232 HydrophobicContact CG-CG2 3.7Å; E114-T232 WeakPolarHBondContact OE2-CB 3.28Å; E114-T232 WeakPolarHBondContact OE2-CG2 3.22Å; E114-T232 PolarHBondContact OE2-OG1 2.94Å; T232-N234 PolarHBondContact O-N 3.48Å
233T94.5Very high90.5Very high39 Ų3952.3 Ų52.324%0.23926%0.258CS..EExtended strand (participates in β ladder)trans-58.9132.3170.8-71.80000111.1M169 P235 L238M169-T233 HydrophobicContact CB-CG2 3.79Å; M169-T233 WeakPolarHBondContact CB-OG1 3.47Å; M169-T233 HydrophobicContact CE-CG2 3.94Å; M169-T233 HydrophobicContact CG-CG2 4.43Å; T233-P235 WeakPolarHBondContact O-CD 3.13Å; T233-L238 HydrophobicContact CG2-CD1 4.07Å
234N96.2Very high89.7Confident0 Ų058.5 Ų58.50%029%0.291CS..  trans-77.7104.6168-174.7-5.2000109.8L103 N106 T107 I109 M169 T232 T236L103-N234 PolarHBondContact O-ND2 3.07Å; N106-N234 VanDerWaalsContact O-CB 3.28Å; N106-N234 WeakPolarHBondContact O-CB 3.44Å; N106-N234 PolarHBondContact O-ND2 2.79Å; T107-N234 WeakPolarHBondContact O-CB 3.47Å; T107-N234 PolarHBondContact O-N 2.76Å; I109-N234 HydrophobicContact CD1-CB 4.49Å; I109-N234 HydrophobicContact CG1-CB 4.45Å; I109-N234 HydrophobicContact CG2-CB 3.97Å; M169-N234 WeakPolarHBondContact CE-O 3.3Å; T232-N234 PolarHBondContact O-N 3.48Å; N234-T236 VanDerWaalsContact CG-OG1 3.31Å; N234-T236 PolarHBondContact ND2-OG1 2.68Å; N234-T236 PolarHBondContact O-N 2.66Å; N234-T236 WeakPolarHBondContact OD1-CB 3.44Å; N234-T236 WeakPolarHBondContact OD1-CG2 3.46Å; N234-T236 PolarHBondContact OD1-N 2.93Å; N234-T236 VanDerWaalsContact OD1-N 3.12Å; N234-T236 PolarHBondContact OD1-OG1 3.25Å
235P95.5Very high88.9Confident8 Ų860.1 Ų60.15%0.05230%0.296CS..G310 helixtrans-74.8-10.9-175.835.5-38.4000112.7L117 W160 T233 L237 L238L117-P235 HydrophobicContact CD2-CG 3.68Å; W160-P235 HydrophobicContact CB-CG 4.06Å; W160-P235 HydrophobicContact CG-CB 4.35Å; W160-P235 HydrophobicContact CG-CG 3.98Å; W160-P235 PolarHBondContact NE1-O 3.34Å; T233-P235 WeakPolarHBondContact O-CD 3.13Å; P235-L237 PolarHBondContact O-N 3.09Å; P235-L238 PolarHBondContact O-N 2.96Å
236T96.4Very high87.8Confident2 Ų269.7 Ų69.71%0.01234%0.341CS..G310 helixtrans-73.8-16.5-17873.60000112.9R76 L79 L117 W160 N234R76-T236 WeakPolarHBondContact CD-O 3.18Å; L79-T236 HydrophobicContact CD2-CG2 3.5Å; L117-T236 HydrophobicContact CD1-CG2 3.71Å; L117-T236 HydrophobicContact CD2-CG2 4.07Å; W160-T236 HydrophobicContact CD2-CG2 4.11Å; W160-T236 HydrophobicContact CE3-CG2 4.19Å; W160-T236 HydrophobicContact CH2-CG2 4.05Å; W160-T236 HydrophobicContact CZ2-CG2 3.97Å; W160-T236 HydrophobicContact CZ3-CG2 4.17Å; N234-T236 VanDerWaalsContact CG-OG1 3.31Å; N234-T236 PolarHBondContact ND2-OG1 2.68Å; N234-T236 PolarHBondContact O-N 2.66Å; N234-T236 WeakPolarHBondContact OD1-CB 3.44Å; N234-T236 WeakPolarHBondContact OD1-CG2 3.46Å; N234-T236 PolarHBondContact OD1-N 2.93Å; N234-T236 VanDerWaalsContact OD1-N 3.12Å; N234-T236 PolarHBondContact OD1-OG1 3.25Å
237L96.2Very high87.2Confident1 Ų170.2 Ų70.21%0.00535%0.348CS..G310 helixtrans-99.45.5176.8-64.9177.7000113.1W15 W16 N106 M169 P235 Y256W15-L237 HydrophobicContact CB-CD2 3.74Å; W15-L237 HydrophobicContact CD2-CD2 4.07Å; W15-L237 HydrophobicContact CG-CD2 3.61Å; W15-L237 WeakPolarHBondContact CZ2-O 3.44Å; W15-L237 PolarHBondContact NE1-O 3.37Å; W16-L237 HydrophobicContact CZ3-CD2 4.45Å; N106-L237 VanDerWaalsContact O-CD1 3.22Å; N106-L237 WeakPolarHBondContact O-CD1 3.14Å; M169-L237 HydrophobicContact CE-CB 4.38Å; P235-L237 PolarHBondContact O-N 3.09Å; L237-Y256 HydrophobicContact CB-CD2 3.97Å; L237-Y256 HydrophobicContact CB-CE2 3.95Å; L237-Y256 HydrophobicContact CD1-CE2 4.36Å; L237-Y256 VanDerWaalsContact O-CD2 3.3Å; L237-Y256 WeakPolarHBondContact O-CD2 3.17Å
238L94.7Very high86.9Confident2 Ų263.5 Ų63.51%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-98.7130.4177.1-64.1179.6000110.4V167 M169 T233 P235 G255V167-L238 HydrophobicContact CB-CD1 4.3Å; V167-L238 HydrophobicContact CG1-CD1 4.38Å; V167-L238 HydrophobicContact CG1-CD2 3.99Å; M169-L238 HydrophobicContact CE-CD1 4.5Å; M169-L238 HydrophobicContact CE-CD2 3.47Å; M169-L238 VanDerWaalsContact CE-CD2 3.47Å; M169-L238 HydrophobicContact CE-CG 3.78Å; M169-L238 HydrophobicContact SD-CD2 4.06Å; T233-L238 HydrophobicContact CG2-CD1 4.07Å; P235-L238 PolarHBondContact O-N 2.96Å; L238-G255 WeakPolarHBondContact CA-O 3.41Å
239S92.9Very high86.7Confident2 Ų267.1 Ų67.11%0.01435%0.347CS..EExtended strand (participates in β ladder)trans-134.1168.7174.658.50000111.1V13 R254 G255 W257V13-S239 WeakPolarHBondContact CG2-OG 3.28Å; S239-R254 WeakPolarHBondContact O-CA 3.48Å; S239-G255 PolarHBondContact N-O 3.36Å; S239-G255 PolarHBondContact O-N 3.03Å; S239-G255 VanDerWaalsContact O-O 3.1Å; S239-W257 VanDerWaalsContact O-CD1 3.22Å; S239-W257 PolarHBondContact O-NE1 3.31Å
240T91.1Very high86.4Confident72 Ų7268.9 Ų68.944%0.44235%0.351SS..EExtended strand (participates in β ladder)trans-102.6122.3175.3-56.90000109.9
241R88.1Confident86Confident48 Ų4870.7 Ų70.718%0.18136%0.361CS..EExtended strand (participates in β ladder)trans-104.1130.6173.4-176.6171.5172-158.9-4.8110W12 F243 G252 I253 W257W12-R241 VanDerWaalsContact CD1-CZ 3.42Å; R241-F243 HydrophobicContact CB-CE2 3.9Å; R241-F243 HydrophobicContact CB-CZ 4.33Å; R241-F243 VanDerWaalsContact CD-CZ 3.48Å; R241-F243 HydrophobicContact CG-CD2 4.33Å; R241-F243 HydrophobicContact CG-CE1 4.45Å; R241-F243 HydrophobicContact CG-CE2 3.73Å; R241-F243 HydrophobicContact CG-CZ 3.81Å; R241-G252 CarbonylContact O-C 3.6Å; R241-G252 WeakPolarHBondContact O-CA 3.31Å; R241-I253 PolarHBondContact N-O 2.84Å; R241-I253 PolarHBondContact O-N 2.99Å; R241-W257 HydrophobicContact CB-CD2 3.82Å; R241-W257 HydrophobicContact CB-CG 3.92Å; R241-W257 HydrophobicContact CB-CZ2 4.15Å
242V87.3Confident85.9Confident85 Ų8566.9 Ų66.952%0.51536%0.356SS..EExtended strand (participates in β ladder)trans-93.4126.9178.8-1770000109.8K250 I251V242-K250 HydrophobicContact CG1-CB 3.78Å; V242-K250 HydrophobicContact CG1-CD 4.13Å; V242-K250 HydrophobicContact CG1-CG 4.16Å; V242-I251 CarbonylContact C-O 3.58Å; V242-I251 WeakPolarHBondContact CA-O 3.4Å
243F83.1Confident85.7Confident58 Ų5869.7 Ų69.725%0.25437%0.37SS..EExtended strand (participates in β ladder)trans-112.1140.6176.5-64.8-90.7000110.4R241 K250 I251 I253 W257R241-F243 HydrophobicContact CB-CE2 3.9Å; R241-F243 HydrophobicContact CB-CZ 4.33Å; R241-F243 VanDerWaalsContact CD-CZ 3.48Å; R241-F243 HydrophobicContact CG-CD2 4.33Å; R241-F243 HydrophobicContact CG-CE1 4.45Å; R241-F243 HydrophobicContact CG-CE2 3.73Å; R241-F243 HydrophobicContact CG-CZ 3.81Å; F243-K250 WeakPolarHBondContact O-CA 3.09Å; F243-I251 PolarHBondContact N-O 3.36Å; F243-I251 PolarHBondContact O-N 3.45Å; F243-I253 HydrophobicContact CD2-CB 4.28Å; F243-I253 HydrophobicContact CD2-CD1 3.79Å; F243-I253 HydrophobicContact CD2-CG1 3.95Å; F243-I253 HydrophobicContact CE2-CB 4.04Å; F243-I253 HydrophobicContact CE2-CD1 3.89Å; F243-I253 HydrophobicContact CE2-CG1 4.13Å; F243-W257 AromaticContact CE2-CH2 3.88Å; F243-W257 HydrophobicContact CE2-CH2 3.88Å; F243-W257 AromaticContact CE2-CZ2 3.91Å; F243-W257 HydrophobicContact CE2-CZ2 3.91Å; F243-W257 AromaticContact CZ-CH2 3.63Å; F243-W257 HydrophobicContact CZ-CH2 3.63Å; F243-W257 HydrophobicContact CZ-CZ2 4.11Å; F243-W257 HydrophobicContact CZ-CZ3 4Å
244N80.3Confident85.5Confident130 Ų13070.9 Ų70.970%0.69537%0.369SS*.EExtended strand (participates in β ladder)trans-85.9124.6172.2-63.4-29000109.3
245K75.1Confident85.4Confident108 Ų10871.1 Ų71.147%0.4737%0.372SS..  trans-78.9158.5169.7-73.9175.8134.6173.90110.6K247 G248 D249 I251K245-K247 PolarHBondContact O-N 3.03Å; K245-G248 PolarHBondContact O-N 3.46Å; K245-D249 HydrophobicContact CB-CB 4.25Å; K245-D249 VanDerWaalsContact CB-O 3.29Å; K245-D249 WeakPolarHBondContact CB-O 3.34Å; K245-D249 HydrophobicContact CD-CB 3.86Å; K245-D249 PolarHBondContact N-O 2.89Å; K245-I251 HydrophobicContact CD-CD1 3.66Å; K245-I251 HydrophobicContact CD-CG1 3.87Å; K245-I251 HydrophobicContact CG-CD1 4.2Å; K245-I251 HydrophobicContact CG-CG1 4.27Å
246Q66.6Low85.4Confident210 Ų21070.9 Ų70.998%0.98137%0.37SS*.THydrogen-bonded Turntrans-57.6-15.5177.1-67.8177.3-10.100114.5
247K68.1Low85.3Confident193 Ų19371.3 Ų71.384%0.83937%0.372SS*.THydrogen-bonded Turntrans-104.911.2177.7-67.1-172.1177.2-175.80114.6K245 D249K245-K247 PolarHBondContact O-N 3.03Å; K247-D249 VanDerWaalsContact C-N 3.33Å; K247-D249 PolarHBondContact O-N 3.22Å
248G70.8Confident85.2Confident61 Ų6171.2 Ų71.263%0.62937%0.371SS*.SBendtrans88.6-13.6-179.400000115.4K245K245-G248 PolarHBondContact O-N 3.46Å
249D77.3Confident85.3Confident99 Ų9971.2 Ų71.253%0.52937%0.371SS..  trans-65.7141.7173.9-67.4-26.1000112.1K245 K247K245-D249 HydrophobicContact CB-CB 4.25Å; K245-D249 VanDerWaalsContact CB-O 3.29Å; K245-D249 WeakPolarHBondContact CB-O 3.34Å; K245-D249 HydrophobicContact CD-CB 3.86Å; K245-D249 PolarHBondContact N-O 2.89Å; K247-D249 VanDerWaalsContact C-N 3.33Å; K247-D249 PolarHBondContact O-N 3.22Å
250K84.9Confident85.4Confident156 Ų15671.2 Ų71.268%0.67837%0.371SS*.EExtended strand (participates in β ladder)trans-101.2131.6175.1-68.7-178.9-178.8178.10110.4V242 F243V242-K250 HydrophobicContact CG1-CB 3.78Å; V242-K250 HydrophobicContact CG1-CD 4.13Å; V242-K250 HydrophobicContact CG1-CG 4.16Å; F243-K250 WeakPolarHBondContact O-CA 3.09Å
251I85.4Confident85.6Confident65 Ų6567.8 Ų67.833%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-115.5124.5170.7-66.1-172.5000109.7V242 F243 K245 I253V242-I251 CarbonylContact C-O 3.58Å; V242-I251 WeakPolarHBondContact CA-O 3.4Å; F243-I251 PolarHBondContact N-O 3.36Å; F243-I251 PolarHBondContact O-N 3.45Å; K245-I251 HydrophobicContact CD-CD1 3.66Å; K245-I251 HydrophobicContact CD-CG1 3.87Å; K245-I251 HydrophobicContact CG-CD1 4.2Å; K245-I251 HydrophobicContact CG-CG1 4.27Å; I251-I253 HydrophobicContact CG2-CG1 3.81Å
252G87Confident85.9Confident46 Ų4665.5 Ų65.547%0.47434%0.342SS..EExtended strand (participates in β ladder)trans-83120.1165.200000110.8R241R241-G252 CarbonylContact O-C 3.6Å; R241-G252 WeakPolarHBondContact O-CA 3.31Å
253I88.7Confident86.1Confident79 Ų7961.5 Ų61.541%0.40532%0.317SS..EExtended strand (participates in β ladder)trans-109.6121.1172.3-55179.9000108.2R241 F243 I251 W257R241-I253 PolarHBondContact N-O 2.84Å; R241-I253 PolarHBondContact O-N 2.99Å; F243-I253 HydrophobicContact CD2-CB 4.28Å; F243-I253 HydrophobicContact CD2-CD1 3.79Å; F243-I253 HydrophobicContact CD2-CG1 3.95Å; F243-I253 HydrophobicContact CE2-CB 4.04Å; F243-I253 HydrophobicContact CE2-CD1 3.89Å; F243-I253 HydrophobicContact CE2-CG1 4.13Å; I251-I253 HydrophobicContact CG2-CG1 3.81Å; I253-W257 HydrophobicContact CB-CZ2 4.12Å; I253-W257 HydrophobicContact CG2-CZ2 3.94Å; I253-W257 PolarHBondContact O-NE1 3.38Å
254R90.9Very high86.7Confident63 Ų6358.7 Ų58.724%0.23831%0.305CS..EExtended strand (participates in β ladder)trans-86.3133.5174.8-166.2171.3-178.9-157.3-4.8110.6L159 V167 S239L159-R254 VanDerWaalsContact CG-NH2 3.34Å; V167-R254 HydrophobicContact CG2-CB 4.3Å; V167-R254 HydrophobicContact CG2-CG 4.34Å; V167-R254 WeakPolarHBondContact CG2-O 3.38Å; S239-R254 WeakPolarHBondContact O-CA 3.48Å
255G93.4Very high87.5Confident6 Ų652.6 Ų52.66%0.06227%0.272CS..EExtended strand (participates in β ladder)trans-179.9-171.4-177.300000112.4L238 S239 W257L238-G255 WeakPolarHBondContact CA-O 3.41Å; S239-G255 PolarHBondContact N-O 3.36Å; S239-G255 PolarHBondContact O-N 3.03Å; S239-G255 VanDerWaalsContact O-O 3.1Å; G255-W257 PolarHBondContact O-N 3.07Å
256Y95.2Very high88.5Confident2 Ų247.4 Ų47.41%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-82.1113.2170.3-178.6-93.5000109.8W15 W16 M169 W173 R176 L237 G258 D259 I260W15-Y256 AromaticContact CD1-CE2 3.74Å; W15-Y256 AromaticContact NE1-CE2 3.8Å; W16-Y256 VanDerWaalsContact CH2-OH 3.23Å; W16-Y256 WeakPolarHBondContact CH2-OH 3.05Å; M169-Y256 HydrophobicContact SD-CD2 4.45Å; W173-Y256 AromaticContact CE3-CD1 3.75Å; W173-Y256 HydrophobicContact CE3-CD1 3.75Å; W173-Y256 HydrophobicContact CE3-CD2 4.43Å; W173-Y256 AromaticContact CE3-CE1 3.72Å; W173-Y256 HydrophobicContact CE3-CE1 3.72Å; W173-Y256 HydrophobicContact CE3-CE2 4.38Å; W173-Y256 HydrophobicContact CE3-CG 4.13Å; W173-Y256 HydrophobicContact CH2-CE1 4.32Å; W173-Y256 AromaticContact CZ3-CD1 3.96Å; W173-Y256 HydrophobicContact CZ3-CD1 3.96Å; W173-Y256 HydrophobicContact CZ3-CD2 4.45Å; W173-Y256 AromaticContact CZ3-CE1 3.42Å; W173-Y256 HydrophobicContact CZ3-CE1 3.42Å; W173-Y256 VanDerWaalsContact CZ3-CE1 3.42Å; W173-Y256 AromaticContact CZ3-CE2 3.96Å; W173-Y256 HydrophobicContact CZ3-CE2 3.96Å; W173-Y256 HydrophobicContact CZ3-CG 4.46Å; W173-Y256 AromaticContact CZ3-CZ 3.42Å; W173-Y256 VanDerWaalsContact CZ3-CZ 3.42Å; R176-Y256 HydrophobicContact CG-CD1 4.34Å; R176-Y256 WeakPolarHBondContact CG-O 3.43Å; L237-Y256 HydrophobicContact CB-CD2 3.97Å; L237-Y256 HydrophobicContact CB-CE2 3.95Å; L237-Y256 HydrophobicContact CD1-CE2 4.36Å; L237-Y256 VanDerWaalsContact O-CD2 3.3Å; L237-Y256 WeakPolarHBondContact O-CD2 3.17Å; Y256-G258 VanDerWaalsContact CE1-C 3.41Å; Y256-G258 WeakPolarHBondContact CE1-O 3.37Å; Y256-D259 PolarHBondContact OH-N 3.44Å; Y256-D259 PolarHBondContact OH-O 3.22Å; Y256-I260 HydrophobicContact CD1-CG2 4.28Å; Y256-I260 HydrophobicContact CE1-CG2 3.72Å
257W94.9Very high89.9Confident11 Ų1137.5 Ų37.54%0.04220%0.204CC..  trans-112.815.7-178.9-58.9111.5000114.3G11 W12 V13 Y175 R176 S239 R241 F243 I253 G255G11-W257 CarbonylContact C-O 3.56Å; G11-W257 WeakPolarHBondContact CA-O 3.34Å; W12-W257 PolarHBondContact N-O 3.35Å; V13-W257 HydrophobicContact CG2-CB 4.38Å; V13-W257 PolarHBondContact N-O 2.83Å; Y175-W257 HydrophobicContact CE1-CH2 4.12Å; Y175-W257 HydrophobicContact CE1-CZ3 4.3Å; R176-W257 PolarHBondContact NH1-O 3.48Å; R176-W257 VanDerWaalsContact NH1-O 3.11Å; S239-W257 VanDerWaalsContact O-CD1 3.22Å; S239-W257 PolarHBondContact O-NE1 3.31Å; R241-W257 HydrophobicContact CB-CD2 3.82Å; R241-W257 HydrophobicContact CB-CG 3.92Å; R241-W257 HydrophobicContact CB-CZ2 4.15Å; F243-W257 AromaticContact CE2-CH2 3.88Å; F243-W257 HydrophobicContact CE2-CH2 3.88Å; F243-W257 AromaticContact CE2-CZ2 3.91Å; F243-W257 HydrophobicContact CE2-CZ2 3.91Å; F243-W257 AromaticContact CZ-CH2 3.63Å; F243-W257 HydrophobicContact CZ-CH2 3.63Å; F243-W257 HydrophobicContact CZ-CZ2 4.11Å; F243-W257 HydrophobicContact CZ-CZ3 4Å; I253-W257 HydrophobicContact CB-CZ2 4.12Å; I253-W257 HydrophobicContact CG2-CZ2 3.94Å; I253-W257 PolarHBondContact O-NE1 3.38Å; G255-W257 PolarHBondContact O-N 3.07Å
258G94.6Very high91.3Very high0 Ų028.9 Ų28.90%017%0.166CC..SBendtrans-92.4-162.1-179.600000115.9A10 V13 R176 Y256A10-G258 CarbonylContact O-C 3.5Å; V13-G258 VanDerWaalsContact O-CA 3.28Å; V13-G258 WeakPolarHBondContact O-CA 3.15Å; R176-G258 VanDerWaalsContact CZ-O 3.24Å; R176-G258 PolarHBondContact NH1-O 3Å; R176-G258 VanDerWaalsContact NH1-O 3.1Å; R176-G258 PolarHBondContact NH2-O 3.14Å; Y256-G258 VanDerWaalsContact CE1-C 3.41Å; Y256-G258 WeakPolarHBondContact CE1-O 3.37Å
259D95.1Very high92.5Very high2 Ų226 Ų261%0.01114%0.136CC..  trans-79.8134.5-176.3178.326.6000113.2G9 A10 W16 F18 Y256 V261 S262 S263G9-D259 WeakPolarHBondContact O-CA 3.45Å; A10-D259 WeakPolarHBondContact O-CA 3.42Å; A10-D259 PolarHBondContact O-N 2.85Å; W16-D259 HydrophobicContact CZ2-CB 3.8Å; W16-D259 WeakPolarHBondContact CZ2-O 3.24Å; W16-D259 PolarHBondContact NE1-OD2 2.86Å; F18-D259 HydrophobicContact CE1-CB 4.36Å; Y256-D259 PolarHBondContact OH-N 3.44Å; Y256-D259 PolarHBondContact OH-O 3.22Å; D259-V261 PolarHBondContact OD1-N 3.38Å; D259-S262 PolarHBondContact OD1-N 2.93Å; D259-S262 VanDerWaalsContact OD1-N 3.1Å; D259-S262 VanDerWaalsContact OD2-CA 3.3Å; D259-S262 WeakPolarHBondContact OD2-CA 3.46Å; D259-S262 WeakPolarHBondContact OD2-CB 3.47Å; D259-S262 PolarHBondContact OD2-N 2.86Å; D259-S262 PolarHBondContact OD2-OG 2.95Å; D259-S263 PolarHBondContact OD2-N 3.21Å
260I96.4Very high93.4Very high1 Ų122 Ų221%0.00512%0.115CC..SBendtrans-123.715.5176.862.4160.2000112.8G9 W173 R176 V177 H180 R217 Y256G9-I260 WeakPolarHBondContact O-CG1 3.49Å; G9-I260 PolarHBondContact O-N 3.23Å; W173-I260 HydrophobicContact CD2-CG2 4.19Å; W173-I260 HydrophobicContact CE3-CG2 4.08Å; W173-I260 HydrophobicContact CH2-CB 4.25Å; W173-I260 HydrophobicContact CH2-CG2 3.69Å; W173-I260 HydrophobicContact CZ2-CB 4.03Å; W173-I260 HydrophobicContact CZ2-CG2 3.74Å; W173-I260 HydrophobicContact CZ3-CG2 3.87Å; R176-I260 HydrophobicContact CB-CD1 4.04Å; R176-I260 HydrophobicContact CB-CG2 4.18Å; R176-I260 WeakPolarHBondContact O-CD1 3.36Å; V177-I260 HydrophobicContact CB-CD1 4.43Å; V177-I260 HydrophobicContact CG2-CD1 3.97Å; H180-I260 HydrophobicContact CB-CD1 3.73Å; R217-I260 WeakPolarHBondContact CD-O 3.45Å; R217-I260 VanDerWaalsContact CG-O 3.3Å; R217-I260 WeakPolarHBondContact CG-O 3.44Å; R217-I260 PolarHBondContact NE-O 3.49Å; R217-I260 VanDerWaalsContact NE-O 3.16Å; Y256-I260 HydrophobicContact CD1-CG2 4.28Å; Y256-I260 HydrophobicContact CE1-CG2 3.72Å
261V95.4Very high93.9Very high0 Ų017.9 Ų17.90%010%0.098CC..SBendtrans-128.5-47.2-176.7-162.50000113.1G9 Y213 W216 D259 L408G9-V261 VanDerWaalsContact CA-CG2 3.48Å; Y213-V261 VanDerWaalsContact CE2-O 3.27Å; Y213-V261 WeakPolarHBondContact CE2-O 3.33Å; Y213-V261 PolarHBondContact OH-O 3.33Å; W216-V261 VanDerWaalsContact CH2-N 3.33Å; D259-V261 PolarHBondContact OD1-N 3.38Å; V261-L408 HydrophobicContact CG1-CB 3.76Å; V261-L408 HydrophobicContact CG1-CD1 4.07Å; V261-L408 HydrophobicContact CG1-CG 4.42Å; V261-L408 WeakPolarHBondContact O-CD1 3.5Å
262S93Very high94.4Very high1 Ų115.3 Ų15.31%0.0079%0.086CC..SBendtrans-88.2-18.7-166.8-37.70000114.3D259 L266 Y406D259-S262 PolarHBondContact OD1-N 2.93Å; D259-S262 VanDerWaalsContact OD1-N 3.1Å; D259-S262 VanDerWaalsContact OD2-CA 3.3Å; D259-S262 WeakPolarHBondContact OD2-CA 3.46Å; D259-S262 WeakPolarHBondContact OD2-CB 3.47Å; D259-S262 PolarHBondContact OD2-N 2.86Å; D259-S262 PolarHBondContact OD2-OG 2.95Å; S262-L266 VanDerWaalsContact O-CD1 3.23Å; S262-L266 WeakPolarHBondContact O-CD1 3.31Å; S262-L266 WeakPolarHBondContact O-CG 3.17Å; S262-Y406 WeakPolarHBondContact CB-O 3.42Å; S262-Y406 PolarHBondContact OG-O 3.15Å
263S92.1Very high94.6Very high0 Ų018.8 Ų18.80%09%0.094CC..  trans73.1146.2172.382.30000116.2W216 D259 Y265 L266W216-S263 VanDerWaalsContact CZ2-CA 3.48Å; W216-S263 VanDerWaalsContact CZ3-CB 3.45Å; D259-S263 PolarHBondContact OD2-N 3.21Å; S263-Y265 PolarHBondContact O-N 2.66Å; S263-Y265 VanDerWaalsContact OG-CD2 3.27Å; S263-Y265 WeakPolarHBondContact OG-CD2 3.42Å; S263-L266 WeakPolarHBondContact O-CG 3.23Å
264P96.1Very high94.8Very high0 Ų018.5 Ų18.50%09%0.093CC..THydrogen-bonded Turntrans-69.4-11.9176.828.6-35.7000113.2W16 F104 W216 A222 F223 L266 S267W16-P264 HydrophobicContact CD2-CB 3.89Å; W16-P264 HydrophobicContact CE3-CB 4.02Å; W16-P264 HydrophobicContact CG-CB 4.26Å; W16-P264 HydrophobicContact CZ3-CB 4.41Å; F104-P264 HydrophobicContact CD1-CB 4.09Å; F104-P264 HydrophobicContact CE1-CB 3.68Å; W216-P264 VanDerWaalsContact CE2-CD 3.49Å; A222-P264 HydrophobicContact CB-CG 3.52Å; F223-P264 HydrophobicContact CE2-CB 4.25Å; F223-P264 HydrophobicContact CE2-CG 4.12Å; P264-L266 PolarHBondContact O-N 3.3Å; P264-S267 PolarHBondContact O-N 2.7Å
265Y97.4Very high95Very high1 Ų122.2 Ų22.20%0.00411%0.111CC..Hα-helixtrans-61.1-24.2178.1-56.4-54.8000112.9I208 Q212 W216 A222 F223 S263 S267 G269 I270 A289I208-Y265 HydrophobicContact CD1-CD2 4.32Å; I208-Y265 HydrophobicContact CG1-CD2 4.41Å; I208-Y265 HydrophobicContact CG2-CD2 3.89Å; I208-Y265 HydrophobicContact CG2-CE2 4.25Å; Q212-Y265 HydrophobicContact CB-CE2 4.31Å; Q212-Y265 PolarHBondContact O-OH 3.02Å; W216-Y265 HydrophobicContact CB-CE2 4.41Å; A222-Y265 WeakPolarHBondContact CA-OH 2.99Å; A222-Y265 HydrophobicContact CB-CE1 4.01Å; A222-Y265 WeakPolarHBondContact O-CE1 3.44Å; A222-Y265 PolarHBondContact O-OH 2.75Å; F223-Y265 HydrophobicContact CD1-CE1 4.3Å; F223-Y265 AromaticContact CE1-CD1 3.84Å; F223-Y265 HydrophobicContact CE1-CD1 3.84Å; F223-Y265 AromaticContact CE1-CE1 3.86Å; F223-Y265 HydrophobicContact CE1-CE1 3.86Å; F223-Y265 HydrophobicContact CZ-CD1 4Å; F223-Y265 HydrophobicContact CZ-CE1 4.21Å; S263-Y265 PolarHBondContact O-N 2.66Å; S263-Y265 VanDerWaalsContact OG-CD2 3.27Å; S263-Y265 WeakPolarHBondContact OG-CD2 3.42Å; Y265-S267 PolarHBondContact O-N 2.8Å; Y265-G269 CarbonylContact O-C 3.59Å; Y265-G269 WeakPolarHBondContact O-CA 3.23Å; Y265-G269 PolarHBondContact O-N 2.84Å; Y265-I270 PolarHBondContact O-N 2.84Å; Y265-A289 HydrophobicContact CD1-CB 3.87Å; Y265-A289 HydrophobicContact CG-CB 3.88Å
266L96.1Very high95Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-58.7-32.5179.5-63.3174.1000112.8S19 P20 L200 S262 S263 P264 I270 Y406S19-L266 CarbonylContact C-O 3.54Å; P20-L266 VanDerWaalsContact CA-O 3.23Å; P20-L266 WeakPolarHBondContact CA-O 3.24Å; L200-L266 HydrophobicContact CD2-CD2 4.27Å; S262-L266 VanDerWaalsContact O-CD1 3.23Å; S262-L266 WeakPolarHBondContact O-CD1 3.31Å; S262-L266 WeakPolarHBondContact O-CG 3.17Å; S263-L266 WeakPolarHBondContact O-CG 3.23Å; P264-L266 PolarHBondContact O-N 3.3Å; L266-I270 HydrophobicContact CD2-CD1 3.86Å; L266-Y406 HydrophobicContact CD1-CG 4.16Å; L266-Y406 HydrophobicContact CD2-CD1 3.9Å; L266-Y406 HydrophobicContact CD2-CD2 4.17Å; L266-Y406 HydrophobicContact CD2-CE1 4.43Å; L266-Y406 HydrophobicContact CD2-CG 3.77Å
267S95.8Very high95Very high2 Ų229.8 Ų29.81%0.01414%0.143CC..Hα-helixtrans-75.1-40.5-172.1-55.80000113.4A21 F104 P264 Y265A21-S267 PolarHBondContact N-O 3.29Å; F104-S267 WeakPolarHBondContact CZ-OG 3.38Å; P264-S267 PolarHBondContact O-N 2.7Å; Y265-S267 PolarHBondContact O-N 2.8Å
268F96.9Very high95Very high11 Ų1131.6 Ų31.65%0.04815%0.153CC..Hα-helixtrans-132.9-8.1-173-59.8-71.4000114.6A21 R47 F100 F104 S293 N296 L297A21-F268 HydrophobicContact CB-CD1 4.37Å; A21-F268 HydrophobicContact CB-CE1 4.12Å; R47-F268 HydrophobicContact CB-CE1 3.81Å; R47-F268 HydrophobicContact CB-CE2 4.18Å; R47-F268 HydrophobicContact CB-CZ 3.43Å; R47-F268 VanDerWaalsContact CB-CZ 3.43Å; F100-F268 AromaticContact CE1-CE2 3.86Å; F100-F268 HydrophobicContact CE1-CE2 3.86Å; F100-F268 HydrophobicContact CE1-CZ 4.25Å; F100-F268 HydrophobicContact CZ-CE2 4.3Å; F100-F268 HydrophobicContact CZ-CZ 4.32Å; F104-F268 HydrophobicContact CE1-CD2 4.11Å; F104-F268 HydrophobicContact CE1-CE2 4.21Å; F104-F268 HydrophobicContact CE2-CE2 4.25Å; F104-F268 HydrophobicContact CZ-CD2 4.32Å; F104-F268 HydrophobicContact CZ-CE2 4.03Å; F268-S293 VanDerWaalsContact O-CA 3.32Å; F268-S293 WeakPolarHBondContact O-CA 3.48Å; F268-N296 PolarHBondContact O-ND2 3.14Å; F268-L297 HydrophobicContact CD1-CD2 4.05Å; F268-L297 HydrophobicContact CD1-CG 4.34Å; F268-L297 HydrophobicContact CD2-CD2 4.5Å; F268-L297 HydrophobicContact CE1-CD2 3.89Å; F268-L297 HydrophobicContact CE2-CD2 4.36Å; F268-L297 HydrophobicContact CG-CD2 4.35Å; F268-L297 HydrophobicContact CG-CG 4.31Å; F268-L297 HydrophobicContact CZ-CD2 4.04Å
269G96.8Very high94.9Very high0 Ų037.2 Ų37.20%018%0.178CC..THydrogen-bonded Turntrans-112-10.3-165.100000116.2V207 Y265 A289 S293V207-G269 WeakPolarHBondContact CG1-O 3.35Å; Y265-G269 CarbonylContact O-C 3.59Å; Y265-G269 WeakPolarHBondContact O-CA 3.23Å; Y265-G269 PolarHBondContact O-N 2.84Å; G269-A289 VanDerWaalsContact CA-O 3.27Å; G269-A289 WeakPolarHBondContact CA-O 3.42Å; G269-A289 WeakPolarHBondContact O-CA 3.27Å; G269-S293 WeakPolarHBondContact CA-OG 3.5Å; G269-S293 PolarHBondContact N-OG 2.88Å
270I95.8Very high94.8Very high15 Ų1541.2 Ų41.28%0.07720%0.202CC..SBendtrans-101.6-13.1-176.462.2165.8000114.4P20 C205 V207 I208 Y265 L266 Y406P20-I270 HydrophobicContact CG-CD1 3.75Å; P20-I270 HydrophobicContact CG-CG1 3.88Å; C205-I270 HydrophobicContact CB-CG2 4.22Å; V207-I270 HydrophobicContact CG1-CB 4.37Å; V207-I270 HydrophobicContact CG1-CG2 4.19Å; I208-I270 HydrophobicContact CD1-CG2 3.88Å; I208-I270 HydrophobicContact CG1-CG2 3.95Å; Y265-I270 PolarHBondContact O-N 2.84Å; L266-I270 HydrophobicContact CD2-CD1 3.86Å; I270-Y406 HydrophobicContact CD1-CE2 4.01Å
271E95.1Very high94.6Very high70 Ų7046.8 Ų46.833%0.32723%0.228SC..  trans-135.9154.5178.4-68.1-174.5-168.800110.6P20 R22 I292 N296P20-E271 HydrophobicContact CB-CG 4.43Å; P20-E271 HydrophobicContact CG-CG 4.11Å; R22-E271 IonicContact CZ-OE1 3.42Å; R22-E271 IonicContact CZ-OE2 3.16Å; R22-E271 IonicContact NH1-OE1 3.19Å; R22-E271 IonicContact NH1-OE2 3.9Å; R22-E271 PolarHBondContact NH1-OE2 3.39Å; R22-E271 IonicContact NH2-OE1 3.62Å; R22-E271 PolarHBondContact NH2-OE1 2.76Å; R22-E271 IonicContact NH2-OE2 3.24Å; R22-E271 PolarHBondContact NH2-OE2 2.99Å; E271-I292 WeakPolarHBondContact O-CG2 3.27Å; E271-N296 PolarHBondContact O-ND2 2.77Å
272S94.9Very high94.4Very high11 Ų1154.2 Ų54.28%0.07727%0.268CS..  trans-154.9148.5172.4-169.60000111.5D274 K275 N296S272-D274 VanDerWaalsContact C-N 3.32Å; S272-D274 PolarHBondContact OG-N 3.12Å; S272-K275 PolarHBondContact O-NZ 3.39Å; S272-K275 VanDerWaalsContact O-NZ 3.15Å; S272-N296 WeakPolarHBondContact CB-OD1 3.48Å; S272-N296 PolarHBondContact OG-OD1 3.35Å
273D92Very high93.9Very high120 Ų12057.7 Ų57.764%0.64230%0.304SS*.SBendtrans-71.2-31.5170-65.6-30.5000110.3K51 K275K51-D273 IonicContact NZ-OD2 2.72Å; K51-D273 PolarHBondContact NZ-OD2 3.11Å; D273-K275 PolarHBondContact O-N 2.97Å
274D93.2Very high93.7Very high73 Ų7364.8 Ų64.839%0.3934%0.337SS..  trans-80.898.8171.4-173.4-1.7000111.2S272 K276 L277S272-D274 VanDerWaalsContact C-N 3.32Å; S272-D274 PolarHBondContact OG-N 3.12Å; D274-K276 PolarHBondContact O-N 3.02Å; D274-K276 WeakPolarHBondContact OD1-CB 3.3Å; D274-K276 WeakPolarHBondContact OD1-CG 3.07Å; D274-K276 PolarHBondContact OD1-N 3.49Å; D274-L277 HydrophobicContact CB-CD1 4.08Å; D274-L277 HydrophobicContact CB-CG 4.2Å; D274-L277 WeakPolarHBondContact O-CB 3.45Å; D274-L277 PolarHBondContact O-N 2.82Å
275K93.9Very high93.6Very high140 Ų14068.1 Ų68.161%0.60935%0.353SS*.THydrogen-bonded Turntrans-61.2-17.4178.8-55.5-53177.1-160.40113.8S272 D273 L277 L278S272-K275 PolarHBondContact O-NZ 3.39Å; S272-K275 VanDerWaalsContact O-NZ 3.15Å; D273-K275 PolarHBondContact O-N 2.97Å; K275-L277 PolarHBondContact O-N 3.49Å; K275-L278 HydrophobicContact CD-CD1 4.34Å; K275-L278 PolarHBondContact O-N 3.41Å
276K95.1Very high93.4Very high141 Ų14172.7 Ų72.761%0.61338%0.376SS*.THydrogen-bonded Turntrans-65.4-32.4174.4-61.7172.1-174.7170.40111.6D274 L278 K279D274-K276 PolarHBondContact O-N 3.02Å; D274-K276 WeakPolarHBondContact OD1-CB 3.3Å; D274-K276 WeakPolarHBondContact OD1-CG 3.07Å; D274-K276 PolarHBondContact OD1-N 3.49Å; K276-L278 VanDerWaalsContact C-N 3.26Å; K276-L278 PolarHBondContact O-N 3.31Å; K276-K279 WeakPolarHBondContact O-CB 3.37Å; K276-K279 WeakPolarHBondContact O-CG 3.27Å; K276-K279 PolarHBondContact O-N 2.69Å
277L94.3Very high93.4Very high27 Ų2774.7 Ų74.714%0.14139%0.387CS..THydrogen-bonded Turntrans-69.3-27.2179.5-64.6175.8000112.3D274 K275 N287 I292 A295D274-L277 HydrophobicContact CB-CD1 4.08Å; D274-L277 HydrophobicContact CB-CG 4.2Å; D274-L277 WeakPolarHBondContact O-CB 3.45Å; D274-L277 PolarHBondContact O-N 2.82Å; K275-L277 PolarHBondContact O-N 3.49Å; L277-N287 WeakPolarHBondContact CA-ND2 3.28Å; L277-N287 WeakPolarHBondContact O-CB 3.36Å; L277-N287 PolarHBondContact O-ND2 2.98Å; L277-I292 HydrophobicContact CB-CG1 4.17Å; L277-A295 HydrophobicContact CD1-CB 3.52Å; L277-A295 HydrophobicContact CD2-CB 4.37Å
278L94.2Very high93.3Very high49 Ų4976.5 Ų76.526%0.25740%0.398SS..THydrogen-bonded Turntrans-90.84.6-178.2-60.5172.9000113.9K275 K276 I292K275-L278 HydrophobicContact CD-CD1 4.34Å; K275-L278 PolarHBondContact O-N 3.41Å; K276-L278 VanDerWaalsContact C-N 3.26Å; K276-L278 PolarHBondContact O-N 3.31Å; L278-I292 HydrophobicContact CD2-CD1 3.73Å
279K94.1Very high93.4Very high118 Ų11876 Ų7651%0.51340%0.396SS..  trans-64.3144.5-177.8-75.7-177.8176.2-174.10112.4K276 L286K276-K279 WeakPolarHBondContact O-CB 3.37Å; K276-K279 WeakPolarHBondContact O-CG 3.27Å; K276-K279 PolarHBondContact O-N 2.69Å; K279-L286 HydrophobicContact CB-CD1 3.99Å; K279-L286 PolarHBondContact O-N 3.35Å
280T93.3Very high93.3Very high85 Ų8577.5 Ų77.552%0.52140%0.403SS..EExtended strand (participates in β ladder)trans-115.9147.817457.80000110.9Q284T280-Q284 CarbonylContact C-O 3.55Å; T280-Q284 WeakPolarHBondContact CA-O 3.23Å; T280-Q284 WeakPolarHBondContact CB-O 3.34Å
281Q91.9Very high93.4Very high118 Ų11879.9 Ų79.955%0.55142%0.416SS*.EExtended strand (participates in β ladder)trans-133.9129.6171-172.7175.412.800108.2G283 Q284 L286Q281-G283 PolarHBondContact O-N 2.79Å; Q281-Q284 PolarHBondContact N-O 2.96Å; Q281-Q284 PolarHBondContact O-N 3.1Å; Q281-L286 HydrophobicContact CB-CD2 3.69Å; Q281-L286 HydrophobicContact CB-CG 4.3Å
282N90.1Very high93.5Very high157 Ų15776.5 Ų76.584%0.8440%0.4SS*.THydrogen-bonded Turntrans52.336.6-176.5-56.7-26.2000113.5Q284N282-Q284 VanDerWaalsContact C-N 3.25Å; N282-Q284 PolarHBondContact O-N 3.44Å
283G83.4Confident93.7Very high74 Ų7476 Ų7676%0.76340%0.397SS*.THydrogen-bonded Turntrans75.45.9-179.400000115.1Q281Q281-G283 PolarHBondContact O-N 2.79Å
284Q87.9Confident94Very high148 Ų14872.5 Ų72.569%0.69238%0.376SS*.EExtended strand (participates in β ladder)trans-112.9142.9175.8-62.8-174.21.300110.9T280 Q281 N282T280-Q284 CarbonylContact C-O 3.55Å; T280-Q284 WeakPolarHBondContact CA-O 3.23Å; T280-Q284 WeakPolarHBondContact CB-O 3.34Å; Q281-Q284 PolarHBondContact N-O 2.96Å; Q281-Q284 PolarHBondContact O-N 3.1Å; N282-Q284 VanDerWaalsContact C-N 3.25Å; N282-Q284 PolarHBondContact O-N 3.44Å
285H92.8Very high94.2Very high71 Ų7170.2 Ų70.233%0.32937%0.367SS..EExtended strand (participates in β ladder)trans-70.1136174.3-72.6-87.7000110.8G206 V207G206-H285 PolarHBondContact O-CD2 3Å; G206-H285 VanDerWaalsContact O-CD2 3.29Å; V207-H285 VanDerWaalsContact CA-CD2 3.49Å; V207-H285 WeakPolarHBondContact CA-CD2 3.38Å; V207-H285 HydrophobicContact CG2-CB 4.07Å; V207-H285 PolarHBondContact N-CD2 3.08Å; V207-H285 PolarHBondContact N-NE2 3.08Å
286L93.4Very high94.4Very high96 Ų9665.3 Ų65.350%0.50335%0.347SS..SBendtrans-74.1-31.4178.3-67.3-179.9000112.7K279 Q281K279-L286 HydrophobicContact CB-CD1 3.99Å; K279-L286 PolarHBondContact O-N 3.35Å; Q281-L286 HydrophobicContact CB-CD2 3.69Å; Q281-L286 HydrophobicContact CB-CG 4.3Å
287N95.7Very high94.5Very high43 Ų4358.6 Ų58.623%0.2332%0.318CS..SBendtrans-113.8149.3177.7-56.9-79.7000109.2V207 L277 D291 I292V207-N287 VanDerWaalsContact CG2-O 3.31Å; V207-N287 WeakPolarHBondContact CG2-O 3.23Å; L277-N287 WeakPolarHBondContact CA-ND2 3.28Å; L277-N287 WeakPolarHBondContact O-CB 3.36Å; L277-N287 PolarHBondContact O-ND2 2.98Å; N287-D291 HydrophobicContact CB-CB 4.06Å; N287-I292 HydrophobicContact CB-CG1 4.33Å
288T95.6Very high94.6Very high39 Ų3958.6 Ų58.624%0.23932%0.317CS..  trans-90.4167.1177.373.10000111.7Q212 Q290 D291 I292Q212-T288 VanDerWaalsContact NE2-CB 3.27Å; Q212-T288 PolarHBondContact NE2-OG1 3.01Å; T288-Q290 PolarHBondContact O-N 2.91Å; T288-Q290 PolarHBondContact OG1-N 2.93Å; T288-D291 VanDerWaalsContact CB-OD2 3.31Å; T288-D291 WeakPolarHBondContact CB-OD2 3.34Å; T288-D291 WeakPolarHBondContact CG2-OD2 3.48Å; T288-D291 PolarHBondContact N-OD2 3.36Å; T288-D291 PolarHBondContact O-N 3.37Å; T288-D291 VanDerWaalsContact O-N 3.07Å; T288-D291 VanDerWaalsContact OG1-CG 3.22Å; T288-D291 PolarHBondContact OG1-N 3.35Å; T288-D291 PolarHBondContact OG1-OD2 3.48Å; T288-I292 WeakPolarHBondContact O-CG1 3.23Å; T288-I292 PolarHBondContact O-N 3.45Å
289A97.1Very high94.7Very high0 Ų060.8 Ų60.80%033%0.326CS..Hα-helixtrans-61.1-28.6175.900000113.1V207 I208 Y265 G269 S293V207-A289 PolarHBondContact O-N 3.08Å; I208-A289 HydrophobicContact CG1-CB 4.04Å; Y265-A289 HydrophobicContact CD1-CB 3.87Å; Y265-A289 HydrophobicContact CG-CB 3.88Å; G269-A289 VanDerWaalsContact CA-O 3.27Å; G269-A289 WeakPolarHBondContact CA-O 3.42Å; G269-A289 WeakPolarHBondContact O-CA 3.27Å; A289-S293 WeakPolarHBondContact O-CB 3.29Å; A289-S293 PolarHBondContact O-N 2.9Å; A289-S293 PolarHBondContact O-OG 2.88Å
290Q96.7Very high94.7Very high32 Ų3255.5 Ų55.515%0.1530%0.304CS..Hα-helixtrans-65.7-48.5170.7171.8172-54.400111.6F223 E224 T288 I292 S293 F294F223-Q290 VanDerWaalsContact CA-OE1 3.31Å; F223-Q290 HydrophobicContact CD1-CB 4.2Å; F223-Q290 HydrophobicContact CD1-CG 4.04Å; E224-Q290 PolarHBondContact O-NE2 3.36Å; T288-Q290 PolarHBondContact O-N 2.91Å; T288-Q290 PolarHBondContact OG1-N 2.93Å; Q290-I292 VanDerWaalsContact C-N 3.27Å; Q290-I292 PolarHBondContact O-N 3.21Å; Q290-S293 PolarHBondContact O-N 2.83Å; Q290-S293 VanDerWaalsContact O-N 3.17Å; Q290-F294 WeakPolarHBondContact O-CB 3.49Å; Q290-F294 PolarHBondContact O-N 2.92Å
291D96.8Very high94.8Very high65 Ų6551.5 Ų51.535%0.34828%0.279SS..Hα-helixtrans-60.7-40.9-178.7-56.5-45.3000111N287 T288 F294 A295N287-D291 HydrophobicContact CB-CB 4.06Å; T288-D291 VanDerWaalsContact CB-OD2 3.31Å; T288-D291 WeakPolarHBondContact CB-OD2 3.34Å; T288-D291 WeakPolarHBondContact CG2-OD2 3.48Å; T288-D291 PolarHBondContact N-OD2 3.36Å; T288-D291 PolarHBondContact O-N 3.37Å; T288-D291 VanDerWaalsContact O-N 3.07Å; T288-D291 VanDerWaalsContact OG1-CG 3.22Å; T288-D291 PolarHBondContact OG1-N 3.35Å; T288-D291 PolarHBondContact OG1-OD2 3.48Å; D291-F294 PolarHBondContact O-N 3.04Å; D291-A295 WeakPolarHBondContact O-CB 3.39Å; D291-A295 PolarHBondContact O-N 2.61Å
292I98Very high94.9Very high0 Ų050.4 Ų50.40%027%0.27CS..Hα-helixtrans-65.5-47175.5-64177.8000110.9V207 E271 L277 L278 N287 T288 Q290 F294 A295 N296V207-I292 HydrophobicContact CB-CD1 4.43Å; V207-I292 HydrophobicContact CG1-CD1 4.39Å; V207-I292 HydrophobicContact CG2-CD1 3.42Å; V207-I292 VanDerWaalsContact CG2-CD1 3.42Å; E271-I292 WeakPolarHBondContact O-CG2 3.27Å; L277-I292 HydrophobicContact CB-CG1 4.17Å; L278-I292 HydrophobicContact CD2-CD1 3.73Å; N287-I292 HydrophobicContact CB-CG1 4.33Å; T288-I292 WeakPolarHBondContact O-CG1 3.23Å; T288-I292 PolarHBondContact O-N 3.45Å; Q290-I292 VanDerWaalsContact C-N 3.27Å; Q290-I292 PolarHBondContact O-N 3.21Å; I292-F294 VanDerWaalsContact C-N 3.26Å; I292-F294 PolarHBondContact O-N 3.48Å; I292-A295 PolarHBondContact O-N 3.41Å; I292-N296 WeakPolarHBondContact CG2-ND2 3.46Å; I292-N296 VanDerWaalsContact O-CB 3.29Å; I292-N296 WeakPolarHBondContact O-CB 3.3Å; I292-N296 VanDerWaalsContact O-CG 3.27Å; I292-N296 PolarHBondContact O-N 3.18Å; I292-N296 PolarHBondContact O-ND2 2.99Å
293S98Very high94.9Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-58.4-41.9177.5-59.10000111.5F268 G269 A289 Q290 L297F268-S293 VanDerWaalsContact O-CA 3.32Å; F268-S293 WeakPolarHBondContact O-CA 3.48Å; G269-S293 WeakPolarHBondContact CA-OG 3.5Å; G269-S293 PolarHBondContact N-OG 2.88Å; A289-S293 WeakPolarHBondContact O-CB 3.29Å; A289-S293 PolarHBondContact O-N 2.9Å; A289-S293 PolarHBondContact O-OG 2.88Å; Q290-S293 PolarHBondContact O-N 2.83Å; Q290-S293 VanDerWaalsContact O-N 3.17Å; S293-L297 WeakPolarHBondContact O-CB 3.47Å; S293-L297 WeakPolarHBondContact O-CG 3.44Å; S293-L297 PolarHBondContact O-N 2.82Å; S293-L297 VanDerWaalsContact O-N 3.08Å
294F97.8Very high95.2Very high47 Ų4740.8 Ų40.821%0.20620%0.203CC..Hα-helixtrans-64.4-51.4177.8-168.8-91.7000111.3T97 E98 L101 M225 Q290 D291 I292 N296 L297 Q298T97-F294 HydrophobicContact CG2-CB 4.4Å; T97-F294 HydrophobicContact CG2-CD1 4.46Å; T97-F294 HydrophobicContact CG2-CD2 3.39Å; T97-F294 HydrophobicContact CG2-CE2 3.63Å; T97-F294 HydrophobicContact CG2-CG 3.84Å; T97-F294 HydrophobicContact CG2-CZ 4.29Å; E98-F294 HydrophobicContact CG-CE2 3.86Å; L101-F294 HydrophobicContact CD1-CB 4.26Å; L101-F294 HydrophobicContact CD1-CD2 4.15Å; M225-F294 HydrophobicContact CE-CD2 4Å; M225-F294 HydrophobicContact SD-CD2 4.23Å; M225-F294 HydrophobicContact SD-CE2 4.4Å; Q290-F294 WeakPolarHBondContact O-CB 3.49Å; Q290-F294 PolarHBondContact O-N 2.92Å; D291-F294 PolarHBondContact O-N 3.04Å; I292-F294 VanDerWaalsContact C-N 3.26Å; I292-F294 PolarHBondContact O-N 3.48Å; F294-N296 PolarHBondContact O-N 2.87Å; F294-L297 PolarHBondContact O-N 2.75Å; F294-Q298 HydrophobicContact CD1-CG 4.08Å; F294-Q298 HydrophobicContact CE1-CG 3.93Å; F294-Q298 HydrophobicContact CZ-CG 4.48Å; F294-Q298 WeakPolarHBondContact O-CB 3.33Å; F294-Q298 WeakPolarHBondContact O-CG 3.35Å; F294-Q298 PolarHBondContact O-N 3.22Å
295A97.8Very high95.2Very high24 Ų2434.2 Ų34.220%0.19817%0.173CC..Hα-helixtrans-62.3-43.4179.900000112.6L277 D291 I292 Q298 E299L277-A295 HydrophobicContact CD1-CB 3.52Å; L277-A295 HydrophobicContact CD2-CB 4.37Å; D291-A295 WeakPolarHBondContact O-CB 3.39Å; D291-A295 PolarHBondContact O-N 2.61Å; I292-A295 PolarHBondContact O-N 3.41Å; A295-Q298 PolarHBondContact O-N 3.09Å; A295-E299 PolarHBondContact O-N 3.45Å
296N97.7Very high94.8Very high37 Ų3732.2 Ų32.220%0.19817%0.167CC..Hα-helixtrans-62.7-44.4178.4-76.3-16.3000111.9F268 E271 S272 I292 F294 E299 L300F268-N296 PolarHBondContact O-ND2 3.14Å; E271-N296 PolarHBondContact O-ND2 2.77Å; S272-N296 WeakPolarHBondContact CB-OD1 3.48Å; S272-N296 PolarHBondContact OG-OD1 3.35Å; I292-N296 WeakPolarHBondContact CG2-ND2 3.46Å; I292-N296 VanDerWaalsContact O-CB 3.29Å; I292-N296 WeakPolarHBondContact O-CB 3.3Å; I292-N296 VanDerWaalsContact O-CG 3.27Å; I292-N296 PolarHBondContact O-N 3.18Å; I292-N296 PolarHBondContact O-ND2 2.99Å; F294-N296 PolarHBondContact O-N 2.87Å; N296-E299 PolarHBondContact O-N 3.42Å; N296-L300 WeakPolarHBondContact O-CB 3.39Å; N296-L300 PolarHBondContact O-N 2.84Å
297L97.5Very high94.4Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-70.1-36.6177.7-77.3172.8000112.8T97 F100 L101 F268 S293 F294 E299 L300 F301T97-L297 HydrophobicContact CG2-CB 3.87Å; T97-L297 HydrophobicContact CG2-CD1 4.48Å; F100-L297 HydrophobicContact CD1-CD1 3.47Å; F100-L297 VanDerWaalsContact CD1-CD1 3.47Å; F100-L297 HydrophobicContact CD1-CD2 4.07Å; F100-L297 HydrophobicContact CD1-CG 4.44Å; F100-L297 HydrophobicContact CE1-CD1 3.84Å; F100-L297 HydrophobicContact CE1-CD2 3.84Å; F100-L297 HydrophobicContact CG-CD1 4.36Å; F100-L297 HydrophobicContact CZ-CD2 4.28Å; L101-L297 HydrophobicContact CD1-CD1 4.1Å; L101-L297 HydrophobicContact CD2-CD1 3.34Å; L101-L297 HydrophobicContact CG-CD1 3.51Å; F268-L297 HydrophobicContact CD1-CD2 4.05Å; F268-L297 HydrophobicContact CD1-CG 4.34Å; F268-L297 HydrophobicContact CD2-CD2 4.5Å; F268-L297 HydrophobicContact CE1-CD2 3.89Å; F268-L297 HydrophobicContact CE2-CD2 4.36Å; F268-L297 HydrophobicContact CG-CD2 4.35Å; F268-L297 HydrophobicContact CG-CG 4.31Å; F268-L297 HydrophobicContact CZ-CD2 4.04Å; S293-L297 WeakPolarHBondContact O-CB 3.47Å; S293-L297 WeakPolarHBondContact O-CG 3.44Å; S293-L297 PolarHBondContact O-N 2.82Å; S293-L297 VanDerWaalsContact O-N 3.08Å; F294-L297 PolarHBondContact O-N 2.75Å; L297-E299 VanDerWaalsContact C-N 3.28Å; L297-E299 PolarHBondContact O-N 2.95Å; L297-L300 WeakPolarHBondContact O-CB 3.32Å; L297-L300 PolarHBondContact O-N 2.8Å; L297-F301 HydrophobicContact CB-CE2 4.36Å; L297-F301 HydrophobicContact CD2-CZ 4.43Å; L297-F301 VanDerWaalsContact O-CD2 3.28Å; L297-F301 WeakPolarHBondContact O-CD2 3.47Å; L297-F301 VanDerWaalsContact O-CG 3.25Å; L297-F301 WeakPolarHBondContact O-CG 3.14Å; L297-F301 PolarHBondContact O-N 3.27Å
298Q96.7Very high93.5Very high27 Ų2731.1 Ų31.113%0.12615%0.153CC..Hα-helixtrans-59.2-44.1172.3-78.1-171-28.600111.3I93 N94 T97 F294 A295 L300 F301 R302I93-Q298 HydrophobicContact CG2-CB 4.18Å; I93-Q298 HydrophobicContact CG2-CG 4.1Å; N94-Q298 PolarHBondContact OD1-NE2 2.91Å; T97-Q298 HydrophobicContact CG2-CG 4.19Å; T97-Q298 WeakPolarHBondContact OG1-CG 3.45Å; F294-Q298 HydrophobicContact CD1-CG 4.08Å; F294-Q298 HydrophobicContact CE1-CG 3.93Å; F294-Q298 HydrophobicContact CZ-CG 4.48Å; F294-Q298 WeakPolarHBondContact O-CB 3.33Å; F294-Q298 WeakPolarHBondContact O-CG 3.35Å; F294-Q298 PolarHBondContact O-N 3.22Å; A295-Q298 PolarHBondContact O-N 3.09Å; Q298-L300 VanDerWaalsContact C-N 3.33Å; Q298-F301 PolarHBondContact O-N 2.75Å; Q298-R302 VanDerWaalsContact CD-NH2 3.34Å; Q298-R302 WeakPolarHBondContact O-CG 3.46Å; Q298-R302 PolarHBondContact O-N 2.98Å
299E95.7Very high92.5Very high95 Ų9537.7 Ų37.744%0.44417%0.174SC..Hα-helixtrans-65.9-39.2178.4-170.551.7-14500111.9A295 N296 L297 F301 R302 S303A295-E299 PolarHBondContact O-N 3.45Å; N296-E299 PolarHBondContact O-N 3.42Å; L297-E299 VanDerWaalsContact C-N 3.28Å; L297-E299 PolarHBondContact O-N 2.95Å; E299-F301 PolarHBondContact O-N 3.34Å; E299-R302 PolarHBondContact O-N 3.49Å; E299-R302 IonicContact OE2-NH1 2.76Å; E299-R302 PolarHBondContact OE2-NH1 3.2Å; E299-S303 VanDerWaalsContact O-CB 3.27Å; E299-S303 WeakPolarHBondContact O-CB 3.37Å; E299-S303 PolarHBondContact O-N 3.01Å; E299-S303 PolarHBondContact O-OG 2.85Å; E299-S303 VanDerWaalsContact O-OG 3.09Å; E299-S303 PolarHBondContact OE1-OG 2.72Å
300L95.4Very high91.3Very high8 Ų844.6 Ų44.64%0.04220%0.2CC..Hα-helixtrans-57.2-49.5172.4-169151.1000111.6L50 M54 T84 N296 L297 Q298 S303 L304L50-L300 HydrophobicContact CB-CD1 3.62Å; L50-L300 HydrophobicContact CB-CD2 4.06Å; L50-L300 HydrophobicContact CB-CG 4.33Å; L50-L300 HydrophobicContact CD1-CD1 4.41Å; L50-L300 HydrophobicContact CD1-CD2 4.17Å; L50-L300 HydrophobicContact CD2-CD2 4.49Å; L50-L300 HydrophobicContact CG-CD2 4.47Å; M54-L300 HydrophobicContact SD-CB 4.03Å; M54-L300 HydrophobicContact SD-CG 4.09Å; T84-L300 HydrophobicContact CG2-CD2 4.37Å; N296-L300 WeakPolarHBondContact O-CB 3.39Å; N296-L300 PolarHBondContact O-N 2.84Å; L297-L300 WeakPolarHBondContact O-CB 3.32Å; L297-L300 PolarHBondContact O-N 2.8Å; Q298-L300 VanDerWaalsContact C-N 3.33Å; L300-S303 PolarHBondContact O-N 2.8Å; L300-L304 HydrophobicContact CD2-CD1 3.61Å; L300-L304 HydrophobicContact CD2-CG 4.26Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 2.76Å
301F95.1Very high89.7Confident0 Ų044.2 Ų44.20%020%0.199CC..Hα-helixtrans-66.5-39.8179.3-60.7-29.5000112.7T84 I93 R96 T97 F100 L297 Q298 E299 S303 L304 S305T84-F301 HydrophobicContact CG2-CD1 3.9Å; T84-F301 HydrophobicContact CG2-CE1 3.61Å; I93-F301 HydrophobicContact CG1-CB 4.47Å; I93-F301 HydrophobicContact CG2-CB 4.28Å; R96-F301 HydrophobicContact CB-CD2 4.25Å; R96-F301 HydrophobicContact CB-CE2 4.11Å; R96-F301 HydrophobicContact CG-CD2 4.02Å; R96-F301 HydrophobicContact CG-CE2 3.68Å; R96-F301 HydrophobicContact CG-CZ 4.01Å; T97-F301 WeakPolarHBondContact OG1-CD2 3.46Å; F100-F301 HydrophobicContact CB-CZ 4.1Å; F100-F301 HydrophobicContact CD2-CZ 4.05Å; F100-F301 HydrophobicContact CG-CZ 4.11Å; L297-F301 HydrophobicContact CB-CE2 4.36Å; L297-F301 HydrophobicContact CD2-CZ 4.43Å; L297-F301 VanDerWaalsContact O-CD2 3.28Å; L297-F301 WeakPolarHBondContact O-CD2 3.47Å; L297-F301 VanDerWaalsContact O-CG 3.25Å; L297-F301 WeakPolarHBondContact O-CG 3.14Å; L297-F301 PolarHBondContact O-N 3.27Å; Q298-F301 PolarHBondContact O-N 2.75Å; E299-F301 PolarHBondContact O-N 3.34Å; F301-S303 VanDerWaalsContact C-N 3.34Å; F301-S303 PolarHBondContact O-N 2.93Å; F301-L304 PolarHBondContact O-N 3.08Å; F301-S305 PolarHBondContact O-N 2.86Å; F301-S305 PolarHBondContact O-OG 3.39Å
302R93.1Very high88Confident96 Ų9644.9 Ų44.936%0.36221%0.209SC..Hα-helixtrans-59.9-45.8173.3-74.3-178.7-157.7106.65.7111.4I93 Q298 E299 S305 S306I93-R302 HydrophobicContact CD1-CG 3.74Å; Q298-R302 VanDerWaalsContact CD-NH2 3.34Å; Q298-R302 WeakPolarHBondContact O-CG 3.46Å; Q298-R302 PolarHBondContact O-N 2.98Å; E299-R302 PolarHBondContact O-N 3.49Å; E299-R302 IonicContact OE2-NH1 2.76Å; E299-R302 PolarHBondContact OE2-NH1 3.2Å; R302-S305 PolarHBondContact O-N 3.34Å; R302-S306 WeakPolarHBondContact O-CB 3.4Å; R302-S306 PolarHBondContact O-N 3.19Å
303S91Very high86Confident26 Ų2647.3 Ų47.318%0.18223%0.228CC..Hα-helixtrans-61.6-45.4179.8-74.40000111.5E299 L300 F301 S305 S306 R307E299-S303 VanDerWaalsContact O-CB 3.27Å; E299-S303 WeakPolarHBondContact O-CB 3.37Å; E299-S303 PolarHBondContact O-N 3.01Å; E299-S303 PolarHBondContact O-OG 2.85Å; E299-S303 VanDerWaalsContact O-OG 3.09Å; E299-S303 PolarHBondContact OE1-OG 2.72Å; L300-S303 PolarHBondContact O-N 2.8Å; F301-S303 VanDerWaalsContact C-N 3.34Å; F301-S303 PolarHBondContact O-N 2.93Å; S303-S305 PolarHBondContact O-N 3.23Å; S303-S306 PolarHBondContact O-N 3.4Å; S303-S306 PolarHBondContact O-OG 3.2Å; S303-R307 PolarHBondContact O-N 3.37Å
304L89.9Confident83.9Confident3 Ų350.5 Ų50.52%0.01625%0.251CS..Hα-helixtrans-61-43.7174.5-69177.4000112.5I53 T84 L300 F301 S306 R307 R308 L346I53-L304 HydrophobicContact CG2-CD2 3.64Å; T84-L304 HydrophobicContact CG2-CD1 3.47Å; T84-L304 VanDerWaalsContact CG2-CD1 3.47Å; L300-L304 HydrophobicContact CD2-CD1 3.61Å; L300-L304 HydrophobicContact CD2-CG 4.26Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 2.76Å; F301-L304 PolarHBondContact O-N 3.08Å; L304-S306 VanDerWaalsContact C-N 3.32Å; L304-S306 PolarHBondContact O-N 2.69Å; L304-R307 PolarHBondContact O-N 2.97Å; L304-R308 PolarHBondContact O-N 2.59Å; L304-L346 HydrophobicContact CD2-CD1 4.11Å
305S87.3Confident81.5Confident10 Ų1055.2 Ų55.27%0.0727%0.273CS..Hα-helixtrans-65.7-33.7175.8-61.70000112.7F301 R302 S303 R309F301-S305 PolarHBondContact O-N 2.86Å; F301-S305 PolarHBondContact O-OG 3.39Å; R302-S305 PolarHBondContact O-N 3.34Å; S303-S305 PolarHBondContact O-N 3.23Å; S305-R309 PolarHBondContact O-N 3.4Å
306S85.3Confident78.8Confident29 Ų2958.6 Ų58.620%0.20329%0.292CS..Hα-helixtrans-69.5-39.1174.982.90000112.5R302 S303 L304 R308 R309 R310R302-S306 WeakPolarHBondContact O-CB 3.4Å; R302-S306 PolarHBondContact O-N 3.19Å; S303-S306 PolarHBondContact O-N 3.4Å; S303-S306 PolarHBondContact O-OG 3.2Å; L304-S306 VanDerWaalsContact C-N 3.32Å; L304-S306 PolarHBondContact O-N 2.69Å; S306-R308 VanDerWaalsContact C-N 3.33Å; S306-R308 PolarHBondContact O-N 3.48Å; S306-R309 PolarHBondContact O-N 2.84Å; S306-R309 VanDerWaalsContact O-N 3.16Å; S306-R310 PolarHBondContact O-N 3.32Å; S306-R310 PolarHBondContact OG-NH2 2.93Å
307R84.6Confident76Confident7 Ų763.5 Ų63.53%0.02632%0.318CS..Hα-helixtrans-58.3-46.4176179.5171.9-175.5131.612.1110.5I53 S56 P57 V58 S303 L304 R309 R310 L311I53-R307 PolarHBondContact O-NH1 3.43Å; S56-R307 PolarHBondContact O-NH1 3.4Å; P57-R307 PolarHBondContact O-NH2 3.44Å; V58-R307 HydrophobicContact CG1-CG 4.31Å; V58-R307 HydrophobicContact CG2-CG 4.06Å; S303-R307 PolarHBondContact O-N 3.37Å; L304-R307 PolarHBondContact O-N 2.97Å; R307-R309 VanDerWaalsContact C-N 3.34Å; R307-R309 PolarHBondContact O-N 3.39Å; R307-R310 PolarHBondContact O-N 2.98Å; R307-L311 HydrophobicContact CG-CD1 4.28Å; R307-L311 PolarHBondContact O-N 2.96Å
308R77.1Confident73Confident108 Ų10869.6 Ų69.641%0.40836%0.355SS..Hα-helixtrans-56.6-44.8173.9-177.9-176.7175.6-170.7-0.5112.5L304 S306 S312L304-R308 PolarHBondContact O-N 2.59Å; S306-R308 VanDerWaalsContact C-N 3.33Å; S306-R308 PolarHBondContact O-N 3.48Å; R308-S312 PolarHBondContact O-N 3.18Å; R308-S312 VanDerWaalsContact O-N 3.13Å
309R74.2Confident70Confident177 Ų17777.2 Ų77.267%0.66839%0.391SS*.Hα-helixtrans-67.2-42.2-178.7-75.8-172.9-70.7156.2-2112.9S305 S306 R307 L311 S312 A313S305-R309 PolarHBondContact O-N 3.4Å; S306-R309 PolarHBondContact O-N 2.84Å; S306-R309 VanDerWaalsContact O-N 3.16Å; R307-R309 VanDerWaalsContact C-N 3.34Å; R307-R309 PolarHBondContact O-N 3.39Å; R309-L311 VanDerWaalsContact C-N 3.32Å; R309-L311 PolarHBondContact O-N 3.27Å; R309-S312 PolarHBondContact O-N 3.37Å; R309-S312 VanDerWaalsContact O-N 3.16Å; R309-A313 PolarHBondContact O-N 3.42Å
310R73Confident67Low145 Ų14577.2 Ų77.255%0.54741%0.407SS..Hα-helixtrans-58.8-44.3177.9-77.1-176.1-80.6-173.7-3.6111.9S306 R307 A313 S314S306-R310 PolarHBondContact O-N 3.32Å; S306-R310 PolarHBondContact OG-NH2 2.93Å; R307-R310 PolarHBondContact O-N 2.98Å; R310-A313 PolarHBondContact O-N 2.93Å; R310-S314 PolarHBondContact O-N 2.88Å; R310-S314 VanDerWaalsContact O-N 3.09Å; R310-S314 PolarHBondContact O-OG 3.35Å
311L62.4Low64.2Low24 Ų2485.8 Ų85.813%0.12645%0.447CS..Hα-helixtrans-65.2-37.1175.8-72.4162.2000112.7V58 R307 R309 A313 S314 H315V58-L311 HydrophobicContact CG1-CD1 3.85Å; V58-L311 HydrophobicContact CG1-CD2 3.46Å; V58-L311 VanDerWaalsContact CG1-CD2 3.46Å; V58-L311 HydrophobicContact CG1-CG 3.44Å; V58-L311 VanDerWaalsContact CG1-CG 3.44Å; R307-L311 HydrophobicContact CG-CD1 4.28Å; R307-L311 PolarHBondContact O-N 2.96Å; R309-L311 VanDerWaalsContact C-N 3.32Å; R309-L311 PolarHBondContact O-N 3.27Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-S314 WeakPolarHBondContact CA-OG 3.39Å; L311-S314 PolarHBondContact O-OG 3.49Å; L311-H315 PolarHBondContact O-CD2 3.14Å
312S61.1Low61Low80 Ų8095.4 Ų95.456%0.55949%0.492SS*.Hα-helixtrans-68.3-33176.6-171.10000112.9R308 R309R308-S312 PolarHBondContact O-N 3.18Å; R308-S312 VanDerWaalsContact O-N 3.13Å; R309-S312 PolarHBondContact O-N 3.37Å; R309-S312 VanDerWaalsContact O-N 3.16Å
313A56.4Low57.9Low50 Ų5095 Ų9541%0.41351%0.509SS..Hα-helixtrans-77.4-35.6179.200000112.3R309 R310 L311 H315 T316R309-A313 PolarHBondContact O-N 3.42Å; R310-A313 PolarHBondContact O-N 2.93Å; L311-A313 VanDerWaalsContact C-N 3.34Å; A313-H315 PolarHBondContact O-N 3.19Å; A313-H315 VanDerWaalsContact O-N 3.15Å; A313-T316 PolarHBondContact O-N 3.05Å; A313-T316 VanDerWaalsContact O-N 3.11Å; A313-T316 PolarHBondContact O-OG1 2.92Å
314S52.3Low55.1Low68 Ų68100 Ų10048%0.47654%0.54SS..THydrogen-bonded Turntrans-66.4-13.5175.754.60000114.2R310 L311R310-S314 PolarHBondContact O-N 2.88Å; R310-S314 VanDerWaalsContact O-N 3.09Å; R310-S314 PolarHBondContact O-OG 3.35Å; L311-S314 WeakPolarHBondContact CA-OG 3.39Å; L311-S314 PolarHBondContact O-OG 3.49Å
315H48.4Very low52Low145 Ų145106.2 Ų106.267%0.67158%0.579SS**THydrogen-bonded Turntrans-93-6.6174.8-71.7-56.6000113.9L311 A313L311-H315 PolarHBondContact O-CD2 3.14Å; A313-H315 PolarHBondContact O-N 3.19Å; A313-H315 VanDerWaalsContact O-N 3.15Å
316T41.6Very low49.7Very low96 Ų96114.3 Ų114.359%0.58962%0.621SS**THydrogen-bonded Turntrans-100.8-6.7-18045.40000114.5A313 T318A313-T316 PolarHBondContact O-N 3.05Å; A313-T316 VanDerWaalsContact O-N 3.11Å; A313-T316 PolarHBondContact O-OG1 2.92Å; T316-T318 VanDerWaalsContact C-N 3.34Å; T316-T318 PolarHBondContact O-N 3.18Å
317D37.4Very low46.9Very low140 Ų140118.2 Ų118.275%0.74965%0.648SS**THydrogen-bonded Turntrans-92.431.1-174.5-67.5-19.6000114.1
318T35.5Very low44.3Very low127 Ų127126.9 Ų126.978%0.77969%0.689SS**THydrogen-bonded Turntrans-124.816.3174.5-25.40000115T316T316-T318 VanDerWaalsContact C-N 3.34Å; T316-T318 PolarHBondContact O-N 3.18Å
319E32.4Very low42.5Very low187 Ų187130.8 Ų130.887%0.87471%0.711SS**SBendtrans-129.8121.3162.2-72.2-171.916800110.2
320A33.3Very low40.2Very low95 Ų95132.1 Ų132.179%0.78572%0.722SS**  trans-69.2157.3-168.200000114
321E36.5Very low38.3Very low188 Ų188131.1 Ų131.188%0.87974%0.737SS**  trans-6.7122.1155.7-59.3-176.1152.100117.3
322E27.4Very low36.7Very low202 Ų202138 Ų13894%0.94477%0.774SS**  trans-160.4141.2130.7-110.8174.8-16400111.5
323A29.4Very low35.3Very low87 Ų87142.6 Ų142.672%0.71979%0.792SS**  trans-69164.2-172.200000113.9T325A323-T325 PolarHBondContact O-N 3.25Å
324P30.8Very low33.9Very low131 Ų131143.2 Ų143.285%0.85180%0.803SS**  trans-86117.4-169.633.1-29.7000111.7
325T26.2Very low32.7Very low134 Ų134149.5 Ų149.582%0.82282%0.822SS**  trans-111.3123.2159.735.30000111.2A323 S327A323-T325 PolarHBondContact O-N 3.25Å; T325-S327 PolarHBondContact O-N 3.44Å
326L37.8Very low31.7Very low181 Ų181147.5 Ų147.595%0.94882%0.822SS**  trans-61.1120.2170.5-81.6127.1000111.2
327S27.9Very low31.2Very low111 Ų111149.4 Ų149.478%0.77683%0.833SS**  trans-163.8116.3143.542.10000113.7T325T325-S327 PolarHBondContact O-N 3.44Å
328Q29.7Very low31.1Very low188 Ų188150.8 Ų150.888%0.87984%0.835SS**  trans32116.8141.1-64.4177.92.700121.5
329Q37.8Very low31.2Very low190 Ų190149.9 Ų149.989%0.88883%0.834SS**  trans25113.1136.3-75.6178.3-17.600118.8
330K26.4Very low31.7Very low205 Ų205145.6 Ų145.689%0.89183%0.825SS**  trans-151.9116.6135.2-108.3169.5-172.7177.90110.4
331S34.2Very low32.9Very low124 Ų124144.3 Ų144.387%0.86781%0.81SS**  trans-58.3129.3171.6-64.50000111.3
332L28.1Very low34.9Very low170 Ų170137.8 Ų137.889%0.8978%0.781SS**  trans-131.7125157.2-87159.5000108.1G334L332-G334 PolarHBondContact O-N 2.74Å; L332-G334 VanDerWaalsContact O-N 3.09Å
333N32.1Very low37.9Very low176 Ų176128.6 Ų128.694%0.94174%0.739SS**  trans-52.7105.7179.4-78.7-29000112.1
334G27.5Very low40.8Very low63 Ų63124.6 Ų124.665%0.64971%0.705SS**  trans-121.3116.6152.700000107.1L332L332-G334 PolarHBondContact O-N 2.74Å; L332-G334 VanDerWaalsContact O-N 3.09Å
335K25.9Very low43.5Very low200 Ų200123.2 Ų123.287%0.8769%0.687SS**  trans-52127.4166-75.8178.5176178.90106.9T337K335-T337 PolarHBondContact O-N 3.3Å
336P28.5Very low46.5Very low103 Ų103117 Ų11767%0.66965%0.649SS**  trans-64.2114.1167.226.4-28.8000105.6Q338P336-Q338 HydrophobicContact CB-CG 4.41Å; P336-Q338 PolarHBondContact O-N 2.83Å
337T31Very low48.8Very low135 Ų135110.5 Ų110.583%0.82862%0.619SS**  trans-66.579.6165.1-23.70000106.2K335 S339K335-T337 PolarHBondContact O-N 3.3Å; T337-S339 PolarHBondContact O-N 3.45Å
338Q35.6Very low51.7Low169 Ų169106.6 Ų106.679%0.7960%0.596SS**  trans-65.882.3168.3-76.6-178.6-14.200107.4P336 S340P336-Q338 HydrophobicContact CB-CG 4.41Å; P336-Q338 PolarHBondContact O-N 2.83Å; Q338-S340 PolarHBondContact O-N 3.21Å; Q338-S340 VanDerWaalsContact O-N 3.16Å
339S37.3Very low54.8Low109 Ų10998 Ų9876%0.76256%0.556SS**  trans-8272.3156.654.30000107.3T337 S341T337-S339 PolarHBondContact O-N 3.45Å; S339-S341 PolarHBondContact O-N 2.99Å
340S42.7Very low57.6Low97 Ų9790 Ų9068%0.67852%0.521SS*.  trans-74.369.7172.679.40000109.5Q338 D342Q338-S340 PolarHBondContact O-N 3.21Å; Q338-S340 VanDerWaalsContact O-N 3.16Å; S340-D342 PolarHBondContact O-N 3.48Å; S340-D342 VanDerWaalsContact O-N 3.16Å
341S58.4Low61Low67 Ų6780.2 Ų80.247%0.46948%0.479SS..  trans-65.6110.4162.7162.90000107.2S339 L343S339-S341 PolarHBondContact O-N 2.99Å; S341-L343 PolarHBondContact O-N 2.96Å; S341-L343 PolarHBondContact OG-N 2.71Å; S341-L343 PolarHBondContact OG-O 3.44Å
342D78.9Confident64Low52 Ų5274.5 Ų74.528%0.27844%0.438SS..SBendtrans-59.5-13.3174.3-78.5-20.3000112.3S87 K90 S340S87-D342 PolarHBondContact N-O 3.33Å; K90-D342 WeakPolarHBondContact CE-OD1 3.37Å; K90-D342 IonicContact NZ-OD1 3.65Å; K90-D342 PolarHBondContact NZ-OD1 3.42Å; K90-D342 IonicContact NZ-OD2 2.65Å; S340-D342 PolarHBondContact O-N 3.48Å; S340-D342 VanDerWaalsContact O-N 3.16Å
343L90.4Very high67.3Low9 Ų966.4 Ų66.45%0.04740%0.396CS..BIsolated β-bridgetrans-102.7146.1178.9-57.9-176.8000112.8Y82 L85 M136 N137 L140 S341Y82-L343 HydrophobicContact CD1-CD2 4.47Å; Y82-L343 HydrophobicContact CD2-CD1 3.84Å; Y82-L343 HydrophobicContact CD2-CD2 3.83Å; Y82-L343 HydrophobicContact CD2-CG 4.35Å; Y82-L343 HydrophobicContact CE1-CD2 4.33Å; Y82-L343 HydrophobicContact CE2-CD1 3.91Å; Y82-L343 HydrophobicContact CE2-CD2 3.67Å; Y82-L343 HydrophobicContact CE2-CG 4.09Å; Y82-L343 HydrophobicContact CG-CD2 4.22Å; L85-L343 HydrophobicContact CB-CD2 4.27Å; L85-L343 CarbonylContact O-C 3.53Å; L85-L343 WeakPolarHBondContact O-CA 3.49Å; M136-L343 HydrophobicContact CE-CD1 3.79Å; N137-L343 HydrophobicContact CB-CD1 4.15Å; L140-L343 HydrophobicContact CD1-CD1 3.62Å; S341-L343 PolarHBondContact O-N 2.96Å; S341-L343 PolarHBondContact OG-N 2.71Å; S341-L343 PolarHBondContact OG-O 3.44Å
344M90.1Very high70.5Confident2 Ų258.3 Ų58.31%0.0135%0.352CS..PPolyproline II helixtrans-69.5136.3169.4-60.3-174.4-66.200110.2T84 L85 N137T84-M344 VanDerWaalsContact O-CE 3.22Å; T84-M344 WeakPolarHBondContact O-CE 3.5Å; L85-M344 WeakPolarHBondContact O-CB 3.38Å; L85-M344 VanDerWaalsContact O-CG 3.31Å; L85-M344 WeakPolarHBondContact O-CG 3.03Å; L85-M344 PolarHBondContact O-N 3.49Å; N137-M344 PolarHBondContact ND2-O 3.05Å
345H87.4Confident73.8Confident103 Ų10355.9 Ų55.948%0.47733%0.325SS..PPolyproline II helixtrans-96.5127.8169.7-166.5-89000109.6
346L88.9Confident77.1Confident3 Ų349 Ų492%0.01630%0.298CS..  trans-104.298.2176.9-60.2179.7000108.1I53 L85 L304 G348 V349I53-L346 HydrophobicContact CG2-CD1 4.04Å; L85-L346 HydrophobicContact CD2-CD1 3.83Å; L85-L346 HydrophobicContact CD2-CG 4.12Å; L304-L346 HydrophobicContact CD2-CD1 4.11Å; L346-G348 PolarHBondContact O-N 2.87Å; L346-V349 HydrophobicContact CB-CB 3.93Å; L346-V349 HydrophobicContact CB-CG2 4.27Å; L346-V349 PolarHBondContact O-N 3.39Å; L346-V349 VanDerWaalsContact O-N 3.15Å
347S85.8Confident80.3Confident45 Ų4546.9 Ų46.932%0.31528%0.281SS..THydrogen-bonded Turntrans-60.6139.7-179.6-45.20000110.9V349S347-V349 PolarHBondContact O-N 2.71Å
348G89.4Confident83.3Confident29 Ų2941 Ų4130%0.29925%0.246SC..THydrogen-bonded Turntrans72.67.5-176.600000114.7N61 L62 L346N61-G348 CarbonylContact C-O 3.57Å; N61-G348 WeakPolarHBondContact CA-O 3.33Å; N61-G348 WeakPolarHBondContact OD1-CA 3.23Å; L62-G348 PolarHBondContact N-O 3.06Å; L346-G348 PolarHBondContact O-N 2.87Å
349V94.4Very high86.1Confident6 Ų633.3 Ų33.34%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-124.3127.8179.9-176.50000111.1I53 L62 L346 S347I53-V349 HydrophobicContact CD1-CG1 3.69Å; I53-V349 HydrophobicContact CG1-CG1 3.7Å; I53-V349 HydrophobicContact CG2-CG1 4.13Å; I53-V349 HydrophobicContact CG2-CG2 4.29Å; L62-V349 WeakPolarHBondContact O-CA 3.35Å; L346-V349 HydrophobicContact CB-CB 3.93Å; L346-V349 HydrophobicContact CB-CG2 4.27Å; L346-V349 PolarHBondContact O-N 3.39Å; L346-V349 VanDerWaalsContact O-N 3.15Å; S347-V349 PolarHBondContact O-N 2.71Å
350S96.1Very high88.7Confident23 Ų2335.7 Ų35.716%0.16121%0.209CC..EExtended strand (participates in β ladder)trans-132.1148.9174.661.10000111.4L62 H63 M64 A138L62-S350 PolarHBondContact O-N 3.02Å; H63-S350 WeakPolarHBondContact CA-OG 3.28Å; H63-S350 WeakPolarHBondContact CB-OG 3.45Å; H63-S350 PolarHBondContact CD2-OG 2.86Å; H63-S350 PolarHBondContact NE2-OG 2.9Å; M64-S350 PolarHBondContact N-O 3.34Å; A138-S350 WeakPolarHBondContact O-CA 3.3Å
351V97.9Very high91.1Very high0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-133.8112.9174.9-1740000107.9I49 I53 M64 V66 L81 A138 C139 N141 F353I49-V351 HydrophobicContact CD1-CG1 4.22Å; I49-V351 HydrophobicContact CG2-CG1 4.48Å; I49-V351 HydrophobicContact CG2-CG2 3.89Å; I53-V351 HydrophobicContact CD1-CG2 4.33Å; M64-V351 HydrophobicContact CB-CB 4.37Å; M64-V351 HydrophobicContact CB-CG1 4.2Å; M64-V351 HydrophobicContact CB-CG2 4.07Å; M64-V351 HydrophobicContact CG-CG2 4.29Å; M64-V351 CarbonylContact O-C 3.55Å; M64-V351 VanDerWaalsContact O-CA 3.26Å; M64-V351 WeakPolarHBondContact O-CA 3.31Å; V66-V351 HydrophobicContact CG2-CG1 3.85Å; L81-V351 HydrophobicContact CD1-CG1 4.23Å; A138-V351 PolarHBondContact O-N 3.33Å; C139-V351 HydrophobicContact CB-CB 4.37Å; C139-V351 HydrophobicContact CB-CG2 3.96Å; C139-V351 WeakPolarHBondContact O-CB 3.42Å; N141-V351 VanDerWaalsContact CB-O 3.31Å; N141-V351 WeakPolarHBondContact CB-O 3.11Å; N141-V351 PolarHBondContact N-O 2.65Å; V351-F353 HydrophobicContact CG1-CE2 4.1Å
352T97.8Very high92.9Very high3 Ų331.6 Ų31.62%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-114.4122.4-177.8-59.10000111.2H63 M64 W65 V66 N141 L144H63-T352 WeakPolarHBondContact NE2-CB 3.5Å; H63-T352 PolarHBondContact NE2-OG1 3.32Å; M64-T352 PolarHBondContact O-N 2.88Å; W65-T352 WeakPolarHBondContact CA-O 3.46Å; W65-T352 HydrophobicContact CE3-CG2 4.2Å; W65-T352 HydrophobicContact CZ3-CG2 4.04Å; V66-T352 PolarHBondContact N-O 2.97Å; N141-T352 PolarHBondContact ND2-OG1 2.88Å; N141-T352 WeakPolarHBondContact O-CA 3.41Å; L144-T352 HydrophobicContact CB-CG2 4.43Å; L144-T352 HydrophobicContact CD1-CG2 3.74Å; L144-T352 HydrophobicContact CG-CG2 4.08Å
353F98.1Very high93.6Very high1 Ų130.4 Ų30.40%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-84.2127.3173.1-69.1-93.9000110.2V66 V74 Q77 L78 L81 N141 L145 V351V66-F353 HydrophobicContact CB-CD1 3.87Å; V66-F353 HydrophobicContact CB-CE1 3.98Å; V66-F353 HydrophobicContact CB-CG 4.43Å; V66-F353 HydrophobicContact CG1-CD1 3.9Å; V66-F353 HydrophobicContact CG1-CE1 3.74Å; V66-F353 HydrophobicContact CG2-CE1 4.43Å; V74-F353 HydrophobicContact CB-CD1 4.48Å; V74-F353 HydrophobicContact CG1-CB 4.42Å; V74-F353 HydrophobicContact CG1-CD1 3.71Å; V74-F353 HydrophobicContact CG1-CE1 4.24Å; V74-F353 HydrophobicContact CG1-CG 4.16Å; V74-F353 HydrophobicContact CG2-CD1 4.4Å; Q77-F353 HydrophobicContact CB-CE1 3.96Å; Q77-F353 HydrophobicContact CB-CZ 3.97Å; L78-F353 HydrophobicContact CD2-CD2 3.7Å; L78-F353 HydrophobicContact CD2-CE2 3.4Å; L78-F353 HydrophobicContact CD2-CZ 4.04Å; L78-F353 HydrophobicContact CG-CD2 4.35Å; L78-F353 HydrophobicContact CG-CE2 4.01Å; L78-F353 HydrophobicContact CG-CZ 4.17Å; L81-F353 HydrophobicContact CD1-CE2 4.07Å; L81-F353 HydrophobicContact CD1-CZ 3.9Å; N141-F353 PolarHBondContact O-N 3.13Å; L145-F353 HydrophobicContact CD2-CB 4.29Å; L145-F353 WeakPolarHBondContact CD2-O 3.34Å; V351-F353 HydrophobicContact CG1-CE2 4.1Å
354L97.8Very high93.7Very high5 Ų537.3 Ų37.33%0.02620%0.197CC..PPolyproline II helixtrans-101.3151.6-179.2-69.8177.3000110.9L39 W65 V66 I67 L144 L145 L362L39-L354 HydrophobicContact CD1-CD1 4.36Å; W65-L354 HydrophobicContact CB-CD1 4.33Å; W65-L354 HydrophobicContact CE3-CD1 3.95Å; W65-L354 HydrophobicContact CE3-CD2 3.85Å; W65-L354 HydrophobicContact CE3-CG 4Å; W65-L354 HydrophobicContact CZ3-CD2 3.97Å; V66-L354 PolarHBondContact O-N 2.87Å; I67-L354 HydrophobicContact CD1-CD1 4.08Å; I67-L354 HydrophobicContact CG1-CB 3.76Å; I67-L354 HydrophobicContact CG1-CD1 3.92Å; I67-L354 HydrophobicContact CG1-CG 4.44Å; L144-L354 HydrophobicContact CB-CD2 4.16Å; L144-L354 HydrophobicContact CD1-CD2 3.58Å; L145-L354 WeakPolarHBondContact CD2-O 3.49Å; L354-L362 HydrophobicContact CD1-CD1 4.47Å; L354-L362 HydrophobicContact CD1-CD2 4.28Å
355P97.3Very high93.9Very high12 Ų1242.1 Ų42.18%0.07822%0.218CC..PPolyproline II helixtrans-50.6148.9172.7-28.531.7000112.9L144 K146 E149 D357 S358L144-P355 WeakPolarHBondContact O-CD 3.4Å; L144-P355 WeakPolarHBondContact O-CG 3.17Å; K146-P355 HydrophobicContact CG-CB 4.38Å; K146-P355 HydrophobicContact CG-CG 4.27Å; E149-P355 WeakPolarHBondContact OE1-CA 3.24Å; E149-P355 WeakPolarHBondContact OE2-CA 3.47Å; E149-P355 VanDerWaalsContact OE2-CB 3.3Å; E149-P355 WeakPolarHBondContact OE2-CB 3.3Å; P355-D357 PolarHBondContact O-N 3Å; P355-D357 VanDerWaalsContact O-N 3.08Å; P355-S358 WeakPolarHBondContact CB-OG 3.3Å; P355-S358 WeakPolarHBondContact CD-OG 3.21Å; P355-S358 WeakPolarHBondContact O-CB 3.45Å; P355-S358 PolarHBondContact O-N 3.16Å; P355-S358 PolarHBondContact O-OG 3.2Å
356L95.8Very high94.1Very high57 Ų5744.3 Ų44.330%0.29823%0.229SC..THydrogen-bonded Turntrans-60.5-27.4-174.2-55.9178.7000113E68 M71 V74 E149E68-L356 WeakPolarHBondContact O-CD2 3.42Å; M71-L356 HydrophobicContact CG-CD1 4.26Å; M71-L356 HydrophobicContact SD-CD1 3.99Å; M71-L356 HydrophobicContact SD-CD2 3.87Å; M71-L356 HydrophobicContact SD-CG 3.93Å; V74-L356 HydrophobicContact CG2-CD2 4.44Å; E149-L356 PolarHBondContact OE1-N 3.27Å
357D94.5Very high94.3Very high58 Ų5850.2 Ų50.231%0.3125%0.254SS..THydrogen-bonded Turntrans-96.413.6178.869.8-3.5000113.8K146 P355 L359 K361K146-D357 WeakPolarHBondContact CE-OD1 3.36Å; K146-D357 IonicContact NZ-OD1 2.71Å; K146-D357 PolarHBondContact NZ-OD1 3.48Å; K146-D357 IonicContact NZ-OD2 2.96Å; K146-D357 PolarHBondContact NZ-OD2 2.67Å; P355-D357 PolarHBondContact O-N 3Å; P355-D357 VanDerWaalsContact O-N 3.08Å; D357-L359 VanDerWaalsContact C-N 3.32Å; D357-L359 PolarHBondContact O-N 2.76Å; D357-K361 IonicContact OD1-NZ 3.3Å; D357-K361 PolarHBondContact OD1-NZ 2.8Å; D357-K361 WeakPolarHBondContact OD2-CE 3.15Å; D357-K361 IonicContact OD2-NZ 3.45Å; D357-K361 PolarHBondContact OD2-NZ 3.11Å
358S94.9Very high94.7Very high12 Ų1248.3 Ų48.38%0.08424%0.24CC..Hα-helixtrans-67-33.5-175.3-65.30000112.8P355 Q360 K361 L362P355-S358 WeakPolarHBondContact CB-OG 3.3Å; P355-S358 WeakPolarHBondContact CD-OG 3.21Å; P355-S358 WeakPolarHBondContact O-CB 3.45Å; P355-S358 PolarHBondContact O-N 3.16Å; P355-S358 PolarHBondContact O-OG 3.2Å; S358-Q360 VanDerWaalsContact C-N 3.28Å; S358-Q360 PolarHBondContact O-N 3.2Å; S358-K361 CarbonylContact O-C 3.56Å; S358-K361 WeakPolarHBondContact O-CA 3.49Å; S358-K361 PolarHBondContact O-N 2.88Å; S358-L362 WeakPolarHBondContact O-CG 3.31Å; S358-L362 PolarHBondContact O-N 3.3Å
359L94.2Very high95Very high7 Ų752.7 Ų52.74%0.03725%0.248CC..Hα-helixtrans-54.2-44.9-172.4-172.562.8000112.3V41 I67 D357 K361 P363 F377 Q384 M389V41-L359 HydrophobicContact CG1-CD2 4.09Å; V41-L359 HydrophobicContact CG2-CD1 3.99Å; I67-L359 HydrophobicContact CD1-CB 4.09Å; I67-L359 HydrophobicContact CD1-CD1 4.3Å; D357-L359 VanDerWaalsContact C-N 3.32Å; D357-L359 PolarHBondContact O-N 2.76Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 3.1Å; L359-P363 WeakPolarHBondContact O-CD 3.5Å; L359-F377 HydrophobicContact CD1-CZ 4.08Å; L359-F377 HydrophobicContact CD2-CE1 3.93Å; L359-F377 HydrophobicContact CD2-CZ 4.03Å; L359-Q384 HydrophobicContact CD2-CB 3.6Å; L359-M389 HydrophobicContact CD1-CE 4.28Å; L359-M389 HydrophobicContact CD1-SD 3.74Å; L359-M389 HydrophobicContact CG-SD 4.42Å
360Q91.9Very high94.9Very high158 Ų15856.5 Ų56.574%0.73827%0.265SS*.Hα-helixtrans-72.8-20.2178.3-64.9178.1-15.500113.6S358 Q364S358-Q360 VanDerWaalsContact C-N 3.28Å; S358-Q360 PolarHBondContact O-N 3.2Å; Q360-Q364 PolarHBondContact O-NE2 3.44Å
361K93.7Very high94.8Very high75 Ų7558.3 Ų58.333%0.32627%0.269SS..Hα-helixtrans-96-20.7-177.1-63.4177.2-175.6169.40113.2D357 S358 L359 Q364D357-K361 IonicContact OD1-NZ 3.3Å; D357-K361 PolarHBondContact OD1-NZ 2.8Å; D357-K361 WeakPolarHBondContact OD2-CE 3.15Å; D357-K361 IonicContact OD2-NZ 3.45Å; D357-K361 PolarHBondContact OD2-NZ 3.11Å; S358-K361 CarbonylContact O-C 3.56Å; S358-K361 WeakPolarHBondContact O-CA 3.49Å; S358-K361 PolarHBondContact O-N 2.88Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 3.1Å; K361-Q364 WeakPolarHBondContact O-CB 3.2Å; K361-Q364 PolarHBondContact O-N 3.5Å
362L95Very high94.7Very high4 Ų458.3 Ų58.32%0.02127%0.269CS..G310 helixtrans-56.7-48179.9-70.6175.1000111.7L39 I67 L354 S358 Q364 K365 Y368 F372 I392L39-L362 HydrophobicContact CD1-CD1 4.36Å; L39-L362 HydrophobicContact CD2-CD1 3.87Å; I67-L362 HydrophobicContact CD1-CD1 4.06Å; L354-L362 HydrophobicContact CD1-CD1 4.47Å; L354-L362 HydrophobicContact CD1-CD2 4.28Å; S358-L362 WeakPolarHBondContact O-CG 3.31Å; S358-L362 PolarHBondContact O-N 3.3Å; L362-Q364 PolarHBondContact O-N 3.42Å; L362-Q364 VanDerWaalsContact O-N 3.16Å; L362-K365 PolarHBondContact O-N 3.01Å; L362-K365 VanDerWaalsContact O-N 3.12Å; L362-Y368 HydrophobicContact CB-CD2 4.47Å; L362-Y368 HydrophobicContact CD2-CD1 4.39Å; L362-Y368 HydrophobicContact CD2-CD2 3.35Å; L362-Y368 HydrophobicContact CD2-CE1 4.4Å; L362-Y368 HydrophobicContact CD2-CE2 3.36Å; L362-Y368 HydrophobicContact CD2-CG 3.91Å; L362-F372 HydrophobicContact CD1-CE2 4.23Å; L362-F372 HydrophobicContact CD1-CZ 4.34Å; L362-I392 HydrophobicContact CB-CD1 3.88Å; L362-I392 HydrophobicContact CB-CG2 4.3Å; L362-I392 HydrophobicContact CD1-CD1 3.92Å
363P93.5Very high94.6Very high26 Ų2658.7 Ų58.717%0.16927%0.271CS..G310 helixtrans-63.3-22.4179.2-22.935.1000114.5L359 K365 M388 I392L359-P363 WeakPolarHBondContact O-CD 3.5Å; P363-K365 VanDerWaalsContact C-N 3.29Å; P363-K365 PolarHBondContact O-N 2.99Å; P363-M388 HydrophobicContact CB-CB 4Å; P363-M388 HydrophobicContact CG-CB 3.97Å; P363-I392 HydrophobicContact CB-CG2 4.2Å; P363-I392 HydrophobicContact CG-CG2 4.11Å
364Q93.3Very high94.5Very high154 Ų15458.7 Ų58.772%0.7227%0.271SS*.G310 helixtrans-78.7-14.8-179.6-56174.66.500112.6Q360 K361 L362Q360-Q364 PolarHBondContact O-NE2 3.44Å; K361-Q364 WeakPolarHBondContact O-CB 3.2Å; K361-Q364 PolarHBondContact O-N 3.5Å; L362-Q364 PolarHBondContact O-N 3.42Å; L362-Q364 VanDerWaalsContact O-N 3.16Å
365K93.4Very high94.5Very high103 Ų10358.6 Ų58.645%0.44827%0.27SS..SBendtrans-102.8117-175.9-68.7-179.5178.7-177.10110.2L362 P363 K367 Y368L362-K365 PolarHBondContact O-N 3.01Å; L362-K365 VanDerWaalsContact O-N 3.12Å; P363-K365 VanDerWaalsContact C-N 3.29Å; P363-K365 PolarHBondContact O-N 2.99Å; K365-K367 HydrophobicContact CB-CG 4.35Å; K365-K367 PolarHBondContact O-N 2.95Å; K365-Y368 HydrophobicContact CB-CD2 3.85Å; K365-Y368 HydrophobicContact CB-CE2 4.44Å; K365-Y368 HydrophobicContact CD-CD2 4.1Å; K365-Y368 HydrophobicContact CD-CE2 3.89Å; K365-Y368 PolarHBondContact O-N 2.86Å
366Q92.2Very high94.5Very high150 Ų15058 Ų5870%0.70127%0.267SS*.G310 helixtrans-53.9-34.1-177.5-168.464.414.500113.8Y368 R369Q366-Y368 PolarHBondContact O-N 3.42Å; Q366-R369 VanDerWaalsContact O-CB 3.27Å; Q366-R369 WeakPolarHBondContact O-CB 3.3Å; Q366-R369 PolarHBondContact O-N 2.7Å; Q366-R369 VanDerWaalsContact O-N 3.13Å
367K93.6Very high94.6Very high126 Ų12655.3 Ų55.355%0.54825%0.252SS..G310 helixtrans-63-21.2179.666.8168.4-177.7160.80115K365K365-K367 HydrophobicContact CB-CG 4.35Å; K365-K367 PolarHBondContact O-N 2.95Å
368Y94.6Very high94.7Very high6 Ų652.6 Ų52.62%0.02424%0.238CC..G310 helixtrans-100.32.7178.9-64-56.5000112.6W65 L362 K365 Q366 H370 Y371 F372 I392W65-Y368 HydrophobicContact CH2-CE1 4.03Å; W65-Y368 HydrophobicContact CZ2-CE1 4.36Å; W65-Y368 HydrophobicContact CZ3-CE1 4.23Å; L362-Y368 HydrophobicContact CB-CD2 4.47Å; L362-Y368 HydrophobicContact CD2-CD1 4.39Å; L362-Y368 HydrophobicContact CD2-CD2 3.35Å; L362-Y368 HydrophobicContact CD2-CE1 4.4Å; L362-Y368 HydrophobicContact CD2-CE2 3.36Å; L362-Y368 HydrophobicContact CD2-CG 3.91Å; K365-Y368 HydrophobicContact CB-CD2 3.85Å; K365-Y368 HydrophobicContact CB-CE2 4.44Å; K365-Y368 HydrophobicContact CD-CD2 4.1Å; K365-Y368 HydrophobicContact CD-CE2 3.89Å; K365-Y368 PolarHBondContact O-N 2.86Å; Q366-Y368 PolarHBondContact O-N 3.42Å; Y368-H370 PolarHBondContact O-N 3.31Å; Y368-Y371 AromaticContact CD1-CD1 3.81Å; Y368-Y371 HydrophobicContact CD1-CD1 3.81Å; Y368-Y371 HydrophobicContact CD1-CE1 4.14Å; Y368-Y371 HydrophobicContact CD1-CG 4.35Å; Y368-Y371 HydrophobicContact CE1-CD1 4.42Å; Y368-Y371 HydrophobicContact CE1-CE1 4.32Å; Y368-Y371 VanDerWaalsContact O-CB 3.28Å; Y368-Y371 WeakPolarHBondContact O-CB 3.39Å; Y368-Y371 PolarHBondContact O-N 2.95Å; Y368-F372 HydrophobicContact CD1-CE2 4.22Å; Y368-F372 HydrophobicContact CD1-CZ 4.03Å; Y368-F372 HydrophobicContact CE1-CZ 4.42Å; Y368-F372 HydrophobicContact CG-CE2 4.48Å; Y368-I392 WeakPolarHBondContact O-CA 3.21Å; Y368-I392 VanDerWaalsContact O-CB 3.23Å; Y368-I392 WeakPolarHBondContact O-CB 3.43Å
369R94.1Very high94.7Very high121 Ų12152.5 Ų52.546%0.45724%0.238SC..THydrogen-bonded Turntrans-66.8127.4177.3-170.3-176.7174.685.85.7109.2Q366 Y371 Q391Q366-R369 VanDerWaalsContact O-CB 3.27Å; Q366-R369 WeakPolarHBondContact O-CB 3.3Å; Q366-R369 PolarHBondContact O-N 2.7Å; Q366-R369 VanDerWaalsContact O-N 3.13Å; R369-Y371 VanDerWaalsContact C-N 3.27Å; R369-Y371 PolarHBondContact O-N 3.42Å; R369-Q391 WeakPolarHBondContact CA-O 3.32Å
370H93.4Very high94.5Very high85 Ų8554.3 Ų54.339%0.39425%0.251SS..THydrogen-bonded Turntrans53.140-178.4-56.2-53.6000114.6Y368 Q391 A393 A394Y368-H370 PolarHBondContact O-N 3.31Å; H370-Q391 PolarHBondContact N-O 3.18Å; H370-A393 WeakPolarHBondContact CA-O 3.39Å; H370-A393 PolarHBondContact ND1-O 3.37Å; H370-A393 VanDerWaalsContact ND1-O 3.16Å; H370-A394 WeakPolarHBondContact O-CA 3.45Å; H370-A394 WeakPolarHBondContact O-CB 3.28Å
371Y94.6Very high94.7Very high61 Ų6147 Ų4724%0.23922%0.217CC..  trans-103.3-39.8-168.4-174.5-109.4000114.2N37 W65 Y368 R369 I392N37-Y371 HydrophobicContact CB-CD1 4.16Å; N37-Y371 HydrophobicContact CB-CE1 3.95Å; N37-Y371 WeakPolarHBondContact CB-O 3.39Å; N37-Y371 VanDerWaalsContact CG-CZ 3.42Å; N37-Y371 VanDerWaalsContact OD1-CE1 3.31Å; N37-Y371 WeakPolarHBondContact OD1-CE1 3.47Å; N37-Y371 PolarHBondContact OD1-OH 2.9Å; W65-Y371 AromaticContact CE2-CE1 3.81Å; W65-Y371 AromaticContact CZ2-CE1 3.74Å; W65-Y371 HydrophobicContact CZ2-CE1 3.74Å; W65-Y371 WeakPolarHBondContact CZ2-OH 3.28Å; W65-Y371 AromaticContact NE1-CE1 3.68Å; Y368-Y371 AromaticContact CD1-CD1 3.81Å; Y368-Y371 HydrophobicContact CD1-CD1 3.81Å; Y368-Y371 HydrophobicContact CD1-CE1 4.14Å; Y368-Y371 HydrophobicContact CD1-CG 4.35Å; Y368-Y371 HydrophobicContact CE1-CD1 4.42Å; Y368-Y371 HydrophobicContact CE1-CE1 4.32Å; Y368-Y371 VanDerWaalsContact O-CB 3.28Å; Y368-Y371 WeakPolarHBondContact O-CB 3.39Å; Y368-Y371 PolarHBondContact O-N 2.95Å; R369-Y371 VanDerWaalsContact C-N 3.27Å; R369-Y371 PolarHBondContact O-N 3.42Å; Y371-I392 PolarHBondContact N-O 3.28Å
372F95.9Very high94.7Very high0 Ų043.7 Ų43.70%020%0.204CC..EExtended strand (participates in β ladder)trans-89.6122.6-172.4-61.2-75.9000111.8N37 L39 W65 L362 Y368 V375 I392 A394 A397N37-F372 HydrophobicContact CB-CD1 4.13Å; L39-F372 HydrophobicContact CB-CD1 3.68Å; L39-F372 HydrophobicContact CB-CE1 3.91Å; L39-F372 HydrophobicContact CB-CG 4.06Å; L39-F372 HydrophobicContact CB-CZ 4.48Å; L39-F372 HydrophobicContact CD1-CE1 4.41Å; L39-F372 HydrophobicContact CD1-CZ 4.49Å; L39-F372 HydrophobicContact CD2-CD2 4.45Å; L39-F372 HydrophobicContact CD2-CE2 4.35Å; L39-F372 HydrophobicContact CD2-CZ 4.45Å; W65-F372 HydrophobicContact CB-CE1 4.03Å; W65-F372 AromaticContact CD1-CE1 3.54Å; W65-F372 HydrophobicContact CD2-CE1 4.18Å; W65-F372 AromaticContact CG-CE1 3.65Å; W65-F372 HydrophobicContact CG-CE1 3.65Å; W65-F372 HydrophobicContact CG-CZ 4.42Å; W65-F372 AromaticContact NE1-CE1 3.94Å; L362-F372 HydrophobicContact CD1-CE2 4.23Å; L362-F372 HydrophobicContact CD1-CZ 4.34Å; Y368-F372 HydrophobicContact CD1-CE2 4.22Å; Y368-F372 HydrophobicContact CD1-CZ 4.03Å; Y368-F372 HydrophobicContact CE1-CZ 4.42Å; Y368-F372 HydrophobicContact CG-CE2 4.48Å; F372-V375 HydrophobicContact CB-CG2 3.94Å; F372-I392 HydrophobicContact CD2-CB 3.97Å; F372-I392 HydrophobicContact CD2-CD1 3.69Å; F372-I392 HydrophobicContact CD2-CG1 3.9Å; F372-I392 HydrophobicContact CE2-CB 4.21Å; F372-I392 HydrophobicContact CE2-CD1 3.68Å; F372-I392 HydrophobicContact CE2-CG1 4.28Å; F372-I392 PolarHBondContact N-O 3.22Å; F372-A394 WeakPolarHBondContact O-CB 3.48Å; F372-A394 PolarHBondContact O-N 2.87Å; F372-A397 WeakPolarHBondContact O-CB 3.25Å
373N95.2Very high94.6Very high12 Ų1249.8 Ų49.86%0.06423%0.231CC..EExtended strand (participates in β ladder)trans-79.4-31.6177.7-52.694.7000112V30 E35 M36 N37 A397 V398V30-N373 HydrophobicContact CG1-CB 3.94Å; E35-N373 PolarHBondContact O-OD1 3.17Å; M36-N373 HydrophobicContact SD-CB 4.49Å; N37-N373 PolarHBondContact N-OD1 2.96Å; N37-N373 PolarHBondContact O-N 3.22Å; N373-A397 VanDerWaalsContact O-CA 3.28Å; N373-A397 WeakPolarHBondContact O-CA 3.42Å; N373-V398 PolarHBondContact O-N 3.21Å
374S95.9Very high94.6Very high0 Ų052 Ų520%024%0.24CC..EExtended strand (participates in β ladder)trans-136.7137.9174.9-177.80000110.3L24 N37 V38 L39 V398L24-S374 PolarHBondContact O-OG 2.85Å; N37-S374 PolarHBondContact O-N 2.68Å; V38-S374 CarbonylContact C-O 3.59Å; V38-S374 WeakPolarHBondContact CA-O 3.22Å; L39-S374 PolarHBondContact N-O 2.92Å; S374-V398 CarbonylContact C-O 3.49Å; S374-V398 VanDerWaalsContact CA-O 3.3Å; S374-V398 WeakPolarHBondContact CA-O 3.41Å
375V97.4Very high94.7Very high4 Ų445.1 Ų45.12%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-126127.6176.1-175.60000108.8L39 F372 F377 M389 V398 L399 V400L39-V375 HydrophobicContact CB-CG1 4.36Å; L39-V375 HydrophobicContact CB-CG2 4.38Å; L39-V375 HydrophobicContact CD2-CG1 4.21Å; L39-V375 HydrophobicContact CG-CG1 4.47Å; L39-V375 CarbonylContact O-C 3.5Å; L39-V375 WeakPolarHBondContact O-CA 3.29Å; F372-V375 HydrophobicContact CB-CG2 3.94Å; V375-F377 HydrophobicContact CG1-CD2 3.97Å; V375-F377 HydrophobicContact CG1-CE2 3.68Å; V375-M389 HydrophobicContact CG1-CE 4.48Å; V375-V398 PolarHBondContact N-O 3.08Å; V375-L399 HydrophobicContact CB-CD1 4.19Å; V375-L399 HydrophobicContact CG1-CD1 4.19Å; V375-L399 CarbonylContact O-C 3.58Å; V375-L399 WeakPolarHBondContact O-CA 3.28Å; V375-V400 PolarHBondContact O-N 3.43Å
376Y97.9Very high94.6Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-113131.8178.1172-90.6000110.9L24 L39 L40 V41 H48 V400 E402L24-Y376 HydrophobicContact CD1-CG 4.29Å; L24-Y376 HydrophobicContact CD2-CD2 3.8Å; L24-Y376 HydrophobicContact CD2-CG 4.26Å; L39-Y376 PolarHBondContact O-N 3.02Å; L40-Y376 HydrophobicContact CB-CD1 4.42Å; L40-Y376 HydrophobicContact CD2-CD1 4.5Å; V41-Y376 PolarHBondContact N-O 2.88Å; H48-Y376 AromaticContact CD2-CZ 3.8Å; H48-Y376 AromaticContact NE2-CE2 3.86Å; H48-Y376 AromaticContact NE2-CZ 3.71Å; H48-Y376 PolarHBondContact NE2-OH 3.13Å; Y376-V400 CarbonylContact C-O 3.55Å; Y376-V400 VanDerWaalsContact CA-O 3.27Å; Y376-V400 WeakPolarHBondContact CA-O 3.39Å; Y376-V400 HydrophobicContact CD2-CB 4.24Å; Y376-V400 HydrophobicContact CD2-CG1 3.96Å; Y376-V400 HydrophobicContact CE2-CG1 4.49Å; Y376-E402 HydrophobicContact CE2-CB 4.16Å; Y376-E402 WeakPolarHBondContact OH-CB 3.5Å; Y376-E402 PolarHBondContact OH-OE1 2.76Å
377F97.7Very high94.5Very high0 Ų040.3 Ų40.30%020%0.196CC..EExtended strand (participates in β ladder)trans-119.1131.6168.6-83.8-99.6000110.7V41 L359 V375 Q384 L385 L399 V400 V401 E402V41-F377 HydrophobicContact CB-CD1 3.93Å; V41-F377 HydrophobicContact CB-CE1 3.95Å; V41-F377 HydrophobicContact CB-CG 4.27Å; V41-F377 HydrophobicContact CB-CZ 4.28Å; V41-F377 HydrophobicContact CG1-CD1 3.99Å; V41-F377 HydrophobicContact CG1-CE1 3.78Å; V41-F377 HydrophobicContact CG1-CZ 4.41Å; V41-F377 HydrophobicContact CG2-CD1 4.49Å; V41-F377 HydrophobicContact CG2-CE1 4.14Å; V41-F377 HydrophobicContact CG2-CE2 4.16Å; V41-F377 HydrophobicContact CG2-CZ 3.97Å; L359-F377 HydrophobicContact CD1-CZ 4.08Å; L359-F377 HydrophobicContact CD2-CE1 3.93Å; L359-F377 HydrophobicContact CD2-CZ 4.03Å; V375-F377 HydrophobicContact CG1-CD2 3.97Å; V375-F377 HydrophobicContact CG1-CE2 3.68Å; F377-Q384 HydrophobicContact CE1-CB 4.48Å; F377-L385 HydrophobicContact CD2-CD1 4.37Å; F377-L385 HydrophobicContact CE1-CB 4.22Å; F377-L385 HydrophobicContact CE2-CD1 3.8Å; F377-L385 HydrophobicContact CZ-CB 4.26Å; F377-L385 HydrophobicContact CZ-CD1 4.01Å; F377-L399 HydrophobicContact CD2-CD1 3.91Å; F377-L399 HydrophobicContact CE2-CD1 4.4Å; F377-V400 PolarHBondContact N-O 3.05Å; F377-V401 HydrophobicContact CB-CG1 4.36Å; F377-V401 HydrophobicContact CB-CG2 4.42Å; F377-V401 WeakPolarHBondContact O-CA 3.33Å; F377-E402 PolarHBondContact O-N 2.96Å
378S96.3Very high94.3Very high1 Ų138.4 Ų38.41%0.00719%0.19CC..  trans-74.5162.9169.267.60000112.5V41 G42 S380 C381 V382 E402V41-S378 PolarHBondContact O-N 3.4Å; V41-S378 PolarHBondContact O-OG 2.86Å; G42-S378 WeakPolarHBondContact O-CB 3.41Å; G42-S378 PolarHBondContact O-OG 3.32Å; S378-S380 PolarHBondContact O-N 3.31Å; S378-S380 PolarHBondContact OG-OG 3.42Å; S378-S380 VanDerWaalsContact OG-OG 3.06Å; S378-C381 PolarHBondContact O-N 3.3Å; S378-C381 VanDerWaalsContact O-N 3.14Å; S378-C381 PolarHBondContact OG-N 2.77Å; S378-V382 PolarHBondContact O-N 2.66Å; S378-E402 WeakPolarHBondContact CA-OE2 3.13Å; S378-E402 WeakPolarHBondContact CB-OE2 3.15Å
379A94.3Very high94.1Very high10 Ų1038.4 Ų38.48%0.08319%0.19CC..THydrogen-bonded Turntrans-61-29.8176.400000112E402 I407 F418A379-E402 HydrophobicContact CB-CG 4.37Å; A379-E402 PolarHBondContact N-OE2 3.11Å; A379-I407 HydrophobicContact CB-CD1 3.97Å; A379-F418 HydrophobicContact CB-CE1 4.36Å; A379-F418 HydrophobicContact CB-CZ 4.04Å
380S91.6Very high93.8Very high44 Ų4433.4 Ų33.431%0.30818%0.176SC..THydrogen-bonded Turntrans-78.3-22.9179.3590000113.5S378 H383S378-S380 PolarHBondContact O-N 3.31Å; S378-S380 PolarHBondContact OG-OG 3.42Å; S378-S380 VanDerWaalsContact OG-OG 3.06Å; S380-H383 PolarHBondContact O-CE1 3.19Å; S380-H383 PolarHBondContact O-ND1 3.08Å; S380-H383 VanDerWaalsContact O-ND1 3.08Å
381C94.7Very high93.8Very high4 Ų432.4 Ų32.43%0.02717%0.172CC..THydrogen-bonded Turntrans-112.5-3.7-175.8-75.70000115V41 S378 H383 Q384V41-C381 HydrophobicContact CG1-CB 4.05Å; S378-C381 PolarHBondContact O-N 3.3Å; S378-C381 VanDerWaalsContact O-N 3.14Å; S378-C381 PolarHBondContact OG-N 2.77Å; C381-H383 PolarHBondContact O-N 3.32Å; C381-H383 VanDerWaalsContact O-N 3.08Å; C381-Q384 WeakPolarHBondContact O-CB 3.38Å; C381-Q384 PolarHBondContact O-N 2.9Å
382V94.3Very high93.8Very high7 Ų729.6 Ų29.64%0.04216%0.161CC..G310 helixtrans-58-27.2-177.571.60000114.3S378 Q384 L385 V401 F418 V422 L425S378-V382 PolarHBondContact O-N 2.66Å; V382-Q384 PolarHBondContact O-N 2.63Å; V382-L385 WeakPolarHBondContact O-CB 3.42Å; V382-L385 PolarHBondContact O-N 3.12Å; V382-V401 HydrophobicContact CB-CG1 4.14Å; V382-V401 HydrophobicContact CG2-CG1 3.67Å; V382-F418 HydrophobicContact CG1-CE2 3.82Å; V382-F418 HydrophobicContact CG1-CZ 3.56Å; V382-V422 HydrophobicContact CG1-CG2 4.37Å; V382-V422 HydrophobicContact CG2-CG2 4.14Å; V382-L425 HydrophobicContact CG2-CD1 4.33Å
383H93.5Very high93.7Very high131 Ų13129.6 Ų29.661%0.60616%0.161SC*.G310 helixtrans-61.2-13.5175.366.1-86000113.7S380 C381S380-H383 PolarHBondContact O-CE1 3.19Å; S380-H383 PolarHBondContact O-ND1 3.08Å; S380-H383 VanDerWaalsContact O-ND1 3.08Å; C381-H383 PolarHBondContact O-N 3.32Å; C381-H383 VanDerWaalsContact O-N 3.08Å
384Q93.9Very high93.6Very high74 Ų7429.2 Ų29.235%0.34616%0.16SC..G310 helixtrans-92.7-0.5175.6-50.9-17824.600113.1L359 F377 C381 V382 D386L359-Q384 HydrophobicContact CD2-CB 3.6Å; F377-Q384 HydrophobicContact CE1-CB 4.48Å; C381-Q384 WeakPolarHBondContact O-CB 3.38Å; C381-Q384 PolarHBondContact O-N 2.9Å; V382-Q384 PolarHBondContact O-N 2.63Å; Q384-D386 PolarHBondContact O-N 3.12Å; Q384-D386 VanDerWaalsContact O-N 3.08Å
385L94.6Very high93.2Very high9 Ų933.5 Ų33.55%0.04719%0.188CC..  trans-66.2105.7174.7179.358.8000109.6F377 V382 M389 L399 L425 A429F377-L385 HydrophobicContact CD2-CD1 4.37Å; F377-L385 HydrophobicContact CE1-CB 4.22Å; F377-L385 HydrophobicContact CE2-CD1 3.8Å; F377-L385 HydrophobicContact CZ-CB 4.26Å; F377-L385 HydrophobicContact CZ-CD1 4.01Å; V382-L385 WeakPolarHBondContact O-CB 3.42Å; V382-L385 PolarHBondContact O-N 3.12Å; L385-M389 HydrophobicContact CD1-CB 4.12Å; L385-M389 HydrophobicContact CD1-CG 3.96Å; L385-L399 HydrophobicContact CD1-CD2 4.45Å; L385-L399 HydrophobicContact CD2-CD2 3.97Å; L385-L425 HydrophobicContact CD2-CB 3.95Å; L385-L425 HydrophobicContact CG-CB 4.44Å; L385-A429 HydrophobicContact CD1-CB 4.17Å; L385-A429 HydrophobicContact CG-CB 4.36Å
386D90.3Very high92.8Very high80 Ų8036.6 Ų36.643%0.42820%0.204SC..  trans-99.8149.1-175.4-176.5-110.4000112Q384 M388 M389Q384-D386 PolarHBondContact O-N 3.12Å; Q384-D386 VanDerWaalsContact O-N 3.08Å; D386-M388 PolarHBondContact O-N 2.9Å; D386-M388 VanDerWaalsContact O-N 3.08Å; D386-M388 WeakPolarHBondContact OD1-CB 3.26Å; D386-M388 WeakPolarHBondContact OD1-CG 3.34Å; D386-M388 PolarHBondContact OD1-N 3.23Å; D386-M389 HydrophobicContact CB-CG 4.46Å; D386-M389 WeakPolarHBondContact O-CB 3.26Å; D386-M389 WeakPolarHBondContact O-CG 3.49Å; D386-M389 PolarHBondContact O-N 3.31Å
387P90.5Very high92.6Very high72 Ų7236.6 Ų36.647%0.46820%0.204SC..G310 helixtrans-56.1-26.1177.2-30.639.7000114.9M389 K428P387-M389 PolarHBondContact O-N 2.92Å; P387-K428 WeakPolarHBondContact CB-O 3.34Å; P387-K428 HydrophobicContact CG-CB 4.38Å
388M90.4Very high92.4Very high85 Ų8536.6 Ų36.642%0.41920%0.204SC..G310 helixtrans-72.3-9.1178.9-58.2-68-77.900113.1P363 D386 G390 Q391P363-M388 HydrophobicContact CB-CB 4Å; P363-M388 HydrophobicContact CG-CB 3.97Å; D386-M388 PolarHBondContact O-N 2.9Å; D386-M388 VanDerWaalsContact O-N 3.08Å; D386-M388 WeakPolarHBondContact OD1-CB 3.26Å; D386-M388 WeakPolarHBondContact OD1-CG 3.34Å; D386-M388 PolarHBondContact OD1-N 3.23Å; M388-G390 PolarHBondContact O-N 3.03Å; M388-Q391 VanDerWaalsContact O-CB 3.29Å; M388-Q391 WeakPolarHBondContact O-CB 3.49Å; M388-Q391 WeakPolarHBondContact O-CG 3.33Å; M388-Q391 PolarHBondContact O-N 3.38Å; M388-Q391 PolarHBondContact SD-NE2 3.29Å
389M88.9Confident92.5Very high6 Ų636.6 Ų36.63%0.0320%0.204CC..G310 helixtrans-61.4-31179.8-74.3-55.5-47.300113.5L39 L359 V375 L385 D386 P387 Q391 I392 A393 A429L39-M389 HydrophobicContact CD2-CE 4.36Å; L359-M389 HydrophobicContact CD1-CE 4.28Å; L359-M389 HydrophobicContact CD1-SD 3.74Å; L359-M389 HydrophobicContact CG-SD 4.42Å; V375-M389 HydrophobicContact CG1-CE 4.48Å; L385-M389 HydrophobicContact CD1-CB 4.12Å; L385-M389 HydrophobicContact CD1-CG 3.96Å; D386-M389 HydrophobicContact CB-CG 4.46Å; D386-M389 WeakPolarHBondContact O-CB 3.26Å; D386-M389 WeakPolarHBondContact O-CG 3.49Å; D386-M389 PolarHBondContact O-N 3.31Å; P387-M389 PolarHBondContact O-N 2.92Å; M389-Q391 PolarHBondContact O-N 3.16Å; M389-I392 HydrophobicContact CE-CD1 3.19Å; M389-I392 HydrophobicContact CE-CG1 3.56Å; M389-I392 WeakPolarHBondContact O-CG1 3.35Å; M389-I392 PolarHBondContact O-N 2.99Å; M389-I392 HydrophobicContact SD-CD1 3.99Å; M389-I392 HydrophobicContact SD-CG1 4.46Å; M389-A393 PolarHBondContact O-N 3.43Å; M389-A429 HydrophobicContact CB-CB 4.49Å
390G89.6Confident92.6Very high17 Ų1736.1 Ų36.118%0.17520%0.2CC..G310 helixtrans-60-17.9174.100000113.9M388 Q448M388-G390 PolarHBondContact O-N 3.03Å; G390-Q448 PolarHBondContact O-NE2 2.98Å; G390-Q448 VanDerWaalsContact O-NE2 3.16Å
391Q92.3Very high92.8Very high64 Ų6434 Ų3430%0.29919%0.185SC..G310 helixtrans-78-27.8179.4-58.2-1756.500113.5R369 H370 M388 M389R369-Q391 WeakPolarHBondContact CA-O 3.32Å; H370-Q391 PolarHBondContact N-O 3.18Å; M388-Q391 VanDerWaalsContact O-CB 3.29Å; M388-Q391 WeakPolarHBondContact O-CB 3.49Å; M388-Q391 WeakPolarHBondContact O-CG 3.33Å; M388-Q391 PolarHBondContact O-N 3.38Å; M388-Q391 PolarHBondContact SD-NE2 3.29Å; M389-Q391 PolarHBondContact O-N 3.16Å
392I95Very high92.9Very high1 Ų133.9 Ų33.91%0.00518%0.184CC..THydrogen-bonded Turntrans-95.5-11.6179.568.8170000112.7L39 L362 P363 Y368 Y371 F372 M389L39-I392 HydrophobicContact CD2-CD1 4.17Å; L362-I392 HydrophobicContact CB-CD1 3.88Å; L362-I392 HydrophobicContact CB-CG2 4.3Å; L362-I392 HydrophobicContact CD1-CD1 3.92Å; P363-I392 HydrophobicContact CB-CG2 4.2Å; P363-I392 HydrophobicContact CG-CG2 4.11Å; Y368-I392 WeakPolarHBondContact O-CA 3.21Å; Y368-I392 VanDerWaalsContact O-CB 3.23Å; Y368-I392 WeakPolarHBondContact O-CB 3.43Å; Y371-I392 PolarHBondContact N-O 3.28Å; F372-I392 HydrophobicContact CD2-CB 3.97Å; F372-I392 HydrophobicContact CD2-CD1 3.69Å; F372-I392 HydrophobicContact CD2-CG1 3.9Å; F372-I392 HydrophobicContact CE2-CB 4.21Å; F372-I392 HydrophobicContact CE2-CD1 3.68Å; F372-I392 HydrophobicContact CE2-CG1 4.28Å; F372-I392 PolarHBondContact N-O 3.22Å; M389-I392 HydrophobicContact CE-CD1 3.19Å; M389-I392 HydrophobicContact CE-CG1 3.56Å; M389-I392 WeakPolarHBondContact O-CG1 3.35Å; M389-I392 PolarHBondContact O-N 2.99Å; M389-I392 HydrophobicContact SD-CD1 3.99Å; M389-I392 HydrophobicContact SD-CG1 4.46Å
393A94Very high93Very high1 Ų134.6 Ų34.61%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-72.4123.7174.700000110.5H370 M389 A397 F431 Q448H370-A393 WeakPolarHBondContact CA-O 3.39Å; H370-A393 PolarHBondContact ND1-O 3.37Å; H370-A393 VanDerWaalsContact ND1-O 3.16Å; M389-A393 PolarHBondContact O-N 3.43Å; A393-A397 HydrophobicContact CB-CB 3.84Å; A393-F431 HydrophobicContact CB-CE1 4.34Å; A393-F431 HydrophobicContact CB-CZ 3.65Å; A393-Q448 PolarHBondContact O-NE2 3.03Å
394A92.6Very high93Very high4 Ų428.4 Ų28.43%0.03316%0.16CC..EExtended strand (participates in β ladder)trans-60.4160.6172.900000110.9H370 F372 D396 A397 Q448H370-A394 WeakPolarHBondContact O-CA 3.45Å; H370-A394 WeakPolarHBondContact O-CB 3.28Å; F372-A394 WeakPolarHBondContact O-CB 3.48Å; F372-A394 PolarHBondContact O-N 2.87Å; A394-D396 PolarHBondContact O-N 3.46Å; A394-A397 WeakPolarHBondContact O-CB 3.38Å; A394-A397 PolarHBondContact O-N 3.37Å; A394-Q448 PolarHBondContact O-OE1 2.79Å
395P88.1Confident93Very high90 Ų9027.4 Ų27.458%0.58415%0.154SC*.EExtended strand (participates in β ladder)trans-53.4138.2170.8-22.634.4000110.6A397P395-A397 PolarHBondContact O-N 3.47Å
396D88.6Confident93Very high68 Ų6827.4 Ų27.436%0.36415%0.153SC..EExtended strand (participates in β ladder)trans58.422.3-175.8-56.8-46.8000114.3A394A394-D396 PolarHBondContact O-N 3.46Å
397A93.1Very high93.1Very high1 Ų124.6 Ų24.61%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-62.4146.4177.100000112.4F372 N373 A393 A394 P395 Q448F372-A397 WeakPolarHBondContact O-CB 3.25Å; N373-A397 VanDerWaalsContact O-CA 3.28Å; N373-A397 WeakPolarHBondContact O-CA 3.42Å; A393-A397 HydrophobicContact CB-CB 3.84Å; A394-A397 WeakPolarHBondContact O-CB 3.38Å; A394-A397 PolarHBondContact O-N 3.37Å; P395-A397 PolarHBondContact O-N 3.47Å; A397-Q448 PolarHBondContact O-N 3.06Å; A397-Q448 VanDerWaalsContact O-N 3.1Å
398V94.8Very high93.2Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-104.6129.6178.1178.70000109.9V30 N373 S374 V375 V400 V445 F446 V447V30-V398 HydrophobicContact CB-CG2 4.47Å; V30-V398 HydrophobicContact CG2-CB 3.82Å; V30-V398 HydrophobicContact CG2-CG2 3.49Å; V30-V398 VanDerWaalsContact CG2-CG2 3.49Å; N373-V398 PolarHBondContact O-N 3.21Å; S374-V398 CarbonylContact C-O 3.49Å; S374-V398 VanDerWaalsContact CA-O 3.3Å; S374-V398 WeakPolarHBondContact CA-O 3.41Å; V375-V398 PolarHBondContact N-O 3.08Å; V398-V400 HydrophobicContact CG1-CG2 3.95Å; V398-V445 HydrophobicContact CG1-CG1 3.58Å; V398-F446 WeakPolarHBondContact CA-O 3.29Å; V398-V447 HydrophobicContact CG2-CG1 4.42Å
399L96.5Very high93.2Very high1 Ų118.9 Ų18.91%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-101.4121.716917166.6000108.8V375 F377 L385 V401 A426 F431 V445 F446V375-L399 HydrophobicContact CB-CD1 4.19Å; V375-L399 HydrophobicContact CG1-CD1 4.19Å; V375-L399 CarbonylContact O-C 3.58Å; V375-L399 WeakPolarHBondContact O-CA 3.28Å; F377-L399 HydrophobicContact CD2-CD1 3.91Å; F377-L399 HydrophobicContact CE2-CD1 4.4Å; L385-L399 HydrophobicContact CD1-CD2 4.45Å; L385-L399 HydrophobicContact CD2-CD2 3.97Å; L399-V401 HydrophobicContact CD1-CG2 4.14Å; L399-V401 HydrophobicContact CD2-CG2 4.35Å; L399-V401 HydrophobicContact CG-CG2 4.02Å; L399-A426 HydrophobicContact CD2-CB 3.9Å; L399-F431 HydrophobicContact CB-CD1 3.6Å; L399-F431 HydrophobicContact CB-CD2 4.43Å; L399-F431 HydrophobicContact CB-CE1 3.75Å; L399-F431 HydrophobicContact CB-CG 3.97Å; L399-F431 HydrophobicContact CB-CZ 4.21Å; L399-F431 HydrophobicContact CD2-CB 4.14Å; L399-F431 HydrophobicContact CD2-CD1 4.42Å; L399-F431 HydrophobicContact CD2-CD2 3.9Å; L399-F431 HydrophobicContact CD2-CE2 4.39Å; L399-F431 HydrophobicContact CD2-CG 3.91Å; L399-V445 WeakPolarHBondContact O-CA 3.36Å; L399-F446 HydrophobicContact CB-CB 4.22Å; L399-F446 HydrophobicContact CD2-CB 4.49Å; L399-F446 HydrophobicContact CD2-CD2 4.22Å; L399-F446 HydrophobicContact CG-CD2 4.27Å; L399-F446 PolarHBondContact N-O 3.47Å; L399-F446 PolarHBondContact O-N 3.33Å
400V96.4Very high93.3Very high0 Ų020.2 Ų20.20%011%0.113CC..EExtended strand (participates in β ladder)trans-111128175.3-177.60000108.5L24 L27 V375 Y376 F377 V398 H443L24-V400 HydrophobicContact CD2-CG1 4.44Å; L27-V400 HydrophobicContact CB-CG2 4.08Å; L27-V400 HydrophobicContact CD1-CB 4.44Å; L27-V400 HydrophobicContact CD1-CG1 3.59Å; L27-V400 HydrophobicContact CD1-CG2 4.01Å; V375-V400 PolarHBondContact O-N 3.43Å; Y376-V400 CarbonylContact C-O 3.55Å; Y376-V400 VanDerWaalsContact CA-O 3.27Å; Y376-V400 WeakPolarHBondContact CA-O 3.39Å; Y376-V400 HydrophobicContact CD2-CB 4.24Å; Y376-V400 HydrophobicContact CD2-CG1 3.96Å; Y376-V400 HydrophobicContact CE2-CG1 4.49Å; F377-V400 PolarHBondContact N-O 3.05Å; V398-V400 HydrophobicContact CG1-CG2 3.95Å; V400-H443 HydrophobicContact CG1-CB 4.17Å
401V97Very high93.4Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-124.1124.9176.8-173.20000110F377 V382 L399 L403 V422 H443 A444 F446F377-V401 HydrophobicContact CB-CG1 4.36Å; F377-V401 HydrophobicContact CB-CG2 4.42Å; F377-V401 WeakPolarHBondContact O-CA 3.33Å; V382-V401 HydrophobicContact CB-CG1 4.14Å; V382-V401 HydrophobicContact CG2-CG1 3.67Å; L399-V401 HydrophobicContact CD1-CG2 4.14Å; L399-V401 HydrophobicContact CD2-CG2 4.35Å; L399-V401 HydrophobicContact CG-CG2 4.02Å; V401-L403 PolarHBondContact O-N 3.34Å; V401-V422 HydrophobicContact CB-CG1 3.76Å; V401-V422 HydrophobicContact CG1-CG1 3.6Å; V401-V422 HydrophobicContact CG1-CG2 4.13Å; V401-V422 HydrophobicContact CG2-CG1 4Å; V401-H443 CarbonylContact O-C 3.52Å; V401-H443 VanDerWaalsContact O-CA 3.28Å; V401-H443 WeakPolarHBondContact O-CA 3.31Å; V401-A444 PolarHBondContact N-O 3.45Å; V401-A444 PolarHBondContact O-N 3.35Å; V401-F446 HydrophobicContact CB-CE2 4.5Å; V401-F446 HydrophobicContact CG2-CD2 4.4Å; V401-F446 HydrophobicContact CG2-CE2 4.1Å
402E96.7Very high93.3Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-67.7124.5170.8-176-172.7-126.300110.2F18 S19 R47 Y376 F377 S378 A379F18-E402 VanDerWaalsContact C-OE1 3.32Å; F18-E402 WeakPolarHBondContact CA-OE1 3.43Å; F18-E402 PolarHBondContact N-OE1 2.93Å; S19-E402 PolarHBondContact N-OE1 3.11Å; S19-E402 PolarHBondContact OG-OE1 3Å; R47-E402 IonicContact NH2-OE1 3.85Å; R47-E402 PolarHBondContact NH2-OE1 3.23Å; Y376-E402 HydrophobicContact CE2-CB 4.16Å; Y376-E402 WeakPolarHBondContact OH-CB 3.5Å; Y376-E402 PolarHBondContact OH-OE1 2.76Å; F377-E402 PolarHBondContact O-N 2.96Å; S378-E402 WeakPolarHBondContact CA-OE2 3.13Å; S378-E402 WeakPolarHBondContact CB-OE2 3.15Å; A379-E402 HydrophobicContact CB-CG 4.37Å; A379-E402 PolarHBondContact N-OE2 3.11Å
403L95.6Very high93.2Very high21 Ų2135.1 Ų35.111%0.1118%0.177CC..  trans-88.7162.3177.5-62.2179.9000111.2V401 K405 F418 A419 V422 V442 A444V401-L403 PolarHBondContact O-N 3.34Å; L403-K405 PolarHBondContact O-N 3.36Å; L403-F418 HydrophobicContact CD2-CD1 4.46Å; L403-F418 HydrophobicContact CD2-CE1 4.44Å; L403-A419 HydrophobicContact CD2-CB 4.28Å; L403-V422 HydrophobicContact CD2-CB 4.39Å; L403-V422 HydrophobicContact CD2-CG1 4.33Å; L403-V422 HydrophobicContact CD2-CG2 4.19Å; L403-V442 WeakPolarHBondContact CA-O 3.45Å; L403-V442 WeakPolarHBondContact CB-O 3.19Å; L403-V442 PolarHBondContact N-O 3.06Å; L403-A444 HydrophobicContact CD1-CB 4.16Å; L403-A444 HydrophobicContact CD2-CB 3.93Å; L403-A444 HydrophobicContact CG-CB 4.15Å
404A93.9Very high93.2Very high2 Ų238.7 Ų38.72%0.01719%0.194CC..G310 helixtrans-79.516.7-174.900000114.3Y406 I407 L410 F418A404-Y406 VanDerWaalsContact C-N 3.26Å; A404-Y406 PolarHBondContact O-N 3.01Å; A404-I407 HydrophobicContact CB-CB 4.45Å; A404-I407 HydrophobicContact CB-CD1 3.89Å; A404-I407 HydrophobicContact CB-CG1 4.32Å; A404-I407 PolarHBondContact O-N 3.44Å; A404-L410 HydrophobicContact CB-CD1 3.55Å; A404-F418 HydrophobicContact CB-CB 4.4Å; A404-F418 HydrophobicContact CB-CD1 3.7Å; A404-F418 HydrophobicContact CB-CE1 4.09Å; A404-F418 HydrophobicContact CB-CG 4Å
405K94.3Very high93.2Very high53 Ų5340.4 Ų40.423%0.2320%0.201CC..G310 helixtrans-53.7-41.8-174.5177.1169.5168.8-164.90111.9K203 L403 D440 G441 V442K203-K405 HydrophobicContact CD-CG 4.45Å; K203-K405 WeakPolarHBondContact CD-O 3.44Å; K203-K405 VanDerWaalsContact CE-O 3.23Å; K203-K405 WeakPolarHBondContact CE-O 3.4Å; K203-K405 PolarHBondContact NZ-O 3.13Å; L403-K405 PolarHBondContact O-N 3.36Å; K405-D440 PolarHBondContact NZ-O 2.97Å; K405-G441 WeakPolarHBondContact CB-O 3.46Å; K405-G441 WeakPolarHBondContact CD-O 3.33Å; K405-V442 HydrophobicContact CD-CG2 3.82Å
406Y94.5Very high93.5Very high9 Ų939 Ų394%0.03520%0.197CC..G310 helixtrans-96.79.5-179.2-60.5-59.5000114.6F18 K203 C205 S262 L266 I270 A404 L408 V442F18-Y406 VanDerWaalsContact O-CD2 3.3Å; F18-Y406 WeakPolarHBondContact O-CD2 3.4Å; K203-Y406 HydrophobicContact CB-CD1 4.35Å; K203-Y406 HydrophobicContact CB-CE1 3.9Å; K203-Y406 HydrophobicContact CD-CD1 4.48Å; K203-Y406 PolarHBondContact O-OH 3.09Å; C205-Y406 WeakPolarHBondContact SG-CE1 3.46Å; S262-Y406 WeakPolarHBondContact CB-O 3.42Å; S262-Y406 PolarHBondContact OG-O 3.15Å; L266-Y406 HydrophobicContact CD1-CG 4.16Å; L266-Y406 HydrophobicContact CD2-CD1 3.9Å; L266-Y406 HydrophobicContact CD2-CD2 4.17Å; L266-Y406 HydrophobicContact CD2-CE1 4.43Å; L266-Y406 HydrophobicContact CD2-CG 3.77Å; I270-Y406 HydrophobicContact CD1-CE2 4.01Å; A404-Y406 VanDerWaalsContact C-N 3.26Å; A404-Y406 PolarHBondContact O-N 3.01Å; Y406-L408 PolarHBondContact O-N 3.29Å; Y406-L408 VanDerWaalsContact O-N 3.15Å; Y406-V442 HydrophobicContact CD2-CG1 4.2Å; Y406-V442 HydrophobicContact CE2-CB 4.49Å; Y406-V442 HydrophobicContact CE2-CG1 3.96Å; Y406-V442 HydrophobicContact CE2-CG2 3.65Å
407I93.4Very high93.8Very high20 Ų2037.1 Ų37.110%0.10319%0.194CC..  trans-83.392.2172.4-56179000108.7A10 F18 A379 A404 D409 L410A10-I407 HydrophobicContact CB-CG2 4.38Å; F18-I407 HydrophobicContact CB-CG1 4.21Å; F18-I407 HydrophobicContact CD1-CG1 4.1Å; F18-I407 HydrophobicContact CD2-CD1 4.16Å; F18-I407 HydrophobicContact CD2-CG1 3.96Å; F18-I407 HydrophobicContact CE1-CG1 4.49Å; F18-I407 HydrophobicContact CE2-CD1 4.43Å; F18-I407 HydrophobicContact CE2-CG1 4.36Å; F18-I407 HydrophobicContact CG-CD1 4.49Å; F18-I407 HydrophobicContact CG-CG1 3.82Å; A379-I407 HydrophobicContact CB-CD1 3.97Å; A404-I407 HydrophobicContact CB-CB 4.45Å; A404-I407 HydrophobicContact CB-CD1 3.89Å; A404-I407 HydrophobicContact CB-CG1 4.32Å; A404-I407 PolarHBondContact O-N 3.44Å; I407-D409 PolarHBondContact O-N 3.47Å; I407-D409 VanDerWaalsContact O-N 3.12Å; I407-L410 HydrophobicContact CB-CD1 3.98Å; I407-L410 HydrophobicContact CB-CG 4.29Å; I407-L410 HydrophobicContact CG2-CD1 3.99Å; I407-L410 HydrophobicContact CG2-CG 3.93Å; I407-L410 PolarHBondContact O-N 3.49Å; I407-L410 VanDerWaalsContact O-N 3.11Å
408L91.6Very high93.9Very high0 Ų039.3 Ų39.30%020%0.203CC..THydrogen-bonded Turntrans-70.5-10.6-166-54.7-173.4000115.4K199 L200 K203 V261 Y406K199-L408 HydrophobicContact CB-CD2 4.04Å; K199-L408 HydrophobicContact CD-CB 3.97Å; K199-L408 VanDerWaalsContact CD-O 3.23Å; K199-L408 WeakPolarHBondContact CD-O 3.46Å; K199-L408 WeakPolarHBondContact CE-O 3.35Å; K199-L408 PolarHBondContact NZ-O 2.96Å; L200-L408 HydrophobicContact CD1-CD1 3.88Å; L200-L408 HydrophobicContact CD2-CD1 3.78Å; L200-L408 HydrophobicContact CD2-CD2 4.01Å; L200-L408 HydrophobicContact CD2-CG 4.41Å; L200-L408 HydrophobicContact CG-CD1 3.48Å; L200-L408 VanDerWaalsContact CG-CD1 3.48Å; L200-L408 HydrophobicContact CG-CD2 4.25Å; L200-L408 HydrophobicContact CG-CG 4.5Å; K203-L408 HydrophobicContact CD-CD2 4.36Å; V261-L408 HydrophobicContact CG1-CB 3.76Å; V261-L408 HydrophobicContact CG1-CD1 4.07Å; V261-L408 HydrophobicContact CG1-CG 4.42Å; V261-L408 WeakPolarHBondContact O-CD1 3.5Å; Y406-L408 PolarHBondContact O-N 3.29Å; Y406-L408 VanDerWaalsContact O-N 3.15Å
409D90.4Very high93.9Very high38 Ų3841.1 Ų41.120%0.20322%0.218CC..THydrogen-bonded Turntrans-77.5-12.4174.1-77.9-23.3000112.6G9 H180 I407G9-D409 WeakPolarHBondContact CA-OD2 3.4Å; G9-D409 PolarHBondContact N-OD2 3.32Å; H180-D409 IonicContact CD2-OD1 3.32Å; H180-D409 IonicContact CD2-OD2 2.8Å; H180-D409 IonicContact CE1-OD1 2.66Å; H180-D409 IonicContact NE2-OD1 3.4Å; H180-D409 PolarHBondContact NE2-OD1 2.95Å; H180-D409 IonicContact NE2-OD2 3.71Å; I407-D409 PolarHBondContact O-N 3.47Å; I407-D409 VanDerWaalsContact O-N 3.12Å
410L91.1Very high93.9Very high34 Ų3447.2 Ų47.218%0.17825%0.247CC..SBendtrans-88.2148.4178.3-57178.3000111.3A404 I407 Q414 E415A404-L410 HydrophobicContact CB-CD1 3.55Å; I407-L410 HydrophobicContact CB-CD1 3.98Å; I407-L410 HydrophobicContact CB-CG 4.29Å; I407-L410 HydrophobicContact CG2-CD1 3.99Å; I407-L410 HydrophobicContact CG2-CG 3.93Å; I407-L410 PolarHBondContact O-N 3.49Å; I407-L410 VanDerWaalsContact O-N 3.11Å; L410-Q414 HydrophobicContact CB-CB 4.23Å; L410-Q414 HydrophobicContact CD2-CB 4.24Å; L410-E415 HydrophobicContact CB-CG 3.95Å
411N90.8Very high93.9Very high75 Ų7550.8 Ų50.840%0.40127%0.269SS..  trans-93.4171.1169.571.229.2000111E413 Q414 E415N411-E413 VanDerWaalsContact C-N 3.28Å; N411-E413 PolarHBondContact O-N 2.94Å; N411-E413 PolarHBondContact OD1-N 2.97Å; N411-E413 VanDerWaalsContact OD1-N 3.13Å; N411-Q414 PolarHBondContact O-N 3.01Å; N411-Q414 WeakPolarHBondContact OD1-CB 3.35Å; N411-Q414 VanDerWaalsContact OD1-CG 3.29Å; N411-Q414 WeakPolarHBondContact OD1-CG 3.46Å; N411-Q414 PolarHBondContact OD1-N 3.3Å; N411-E415 WeakPolarHBondContact O-CG 3.49Å; N411-E415 PolarHBondContact O-N 3.38Å
412K90.8Very high93.8Very high157 Ų15750.8 Ų50.868%0.68327%0.269SS*.Hα-helixtrans-58.9-35.2-177.2-65.6-176.7179.6177.50113.4A416K412-A416 WeakPolarHBondContact O-CB 3.49Å; K412-A416 PolarHBondContact O-N 3.05Å
413E93.8Very high93.8Very high162 Ų16252 Ų5276%0.75728%0.279SS*.Hα-helixtrans-69.9-42.6177.9-65.2173.7-177.800111.7N411 A416 G417N411-E413 VanDerWaalsContact C-N 3.28Å; N411-E413 PolarHBondContact O-N 2.94Å; N411-E413 PolarHBondContact OD1-N 2.97Å; N411-E413 VanDerWaalsContact OD1-N 3.13Å; E413-A416 PolarHBondContact O-N 3.48Å; E413-G417 PolarHBondContact O-N 3.29Å
414Q93.8Very high93.8Very high77 Ų7754.6 Ų54.636%0.3629%0.293SS..Hα-helixtrans-66.6-39.5176.4-70.7172.2-42.200111.7L410 N411 G417 F418L410-Q414 HydrophobicContact CB-CB 4.23Å; L410-Q414 HydrophobicContact CD2-CB 4.24Å; N411-Q414 PolarHBondContact O-N 3.01Å; N411-Q414 WeakPolarHBondContact OD1-CB 3.35Å; N411-Q414 VanDerWaalsContact OD1-CG 3.29Å; N411-Q414 WeakPolarHBondContact OD1-CG 3.46Å; N411-Q414 PolarHBondContact OD1-N 3.3Å; Q414-G417 PolarHBondContact O-N 2.91Å; Q414-F418 WeakPolarHBondContact O-CB 3.33Å; Q414-F418 PolarHBondContact O-N 3.49Å
415E92.8Very high93.9Very high39 Ų3956.4 Ų56.418%0.18230%0.302CS..Hα-helixtrans-61.7-46.1173.9-73.5173-145.900111.4K203 L410 N411 F418 A419K203-E415 VanDerWaalsContact NZ-CD 3.34Å; K203-E415 IonicContact NZ-OE1 3.12Å; K203-E415 PolarHBondContact NZ-OE1 3.25Å; K203-E415 IonicContact NZ-OE2 3.72Å; K203-E415 PolarHBondContact NZ-OE2 2.92Å; L410-E415 HydrophobicContact CB-CG 3.95Å; N411-E415 WeakPolarHBondContact O-CG 3.49Å; N411-E415 PolarHBondContact O-N 3.38Å; E415-F418 WeakPolarHBondContact O-CB 3.37Å; E415-F418 PolarHBondContact O-N 2.99Å; E415-A419 PolarHBondContact O-N 2.98Å
416A93.6Very high94Very high60 Ų6053.9 Ų53.950%0.49629%0.292SS..Hα-helixtrans-64.1-45.7176.600000112.1K412 E413 F418 A419 E420K412-A416 WeakPolarHBondContact O-CB 3.49Å; K412-A416 PolarHBondContact O-N 3.05Å; E413-A416 PolarHBondContact O-N 3.48Å; A416-F418 VanDerWaalsContact C-N 3.28Å; A416-F418 PolarHBondContact O-N 2.97Å; A416-A419 PolarHBondContact O-N 2.82Å; A416-A419 VanDerWaalsContact O-N 3.15Å; A416-E420 PolarHBondContact O-N 2.8Å
417G95.4Very high94Very high29 Ų2957.2 Ų57.230%0.29931%0.309SS..Hα-helixtrans-63.6-32.4176.700000113E413 Q414 T421E413-G417 PolarHBondContact O-N 3.29Å; Q414-G417 PolarHBondContact O-N 2.91Å; G417-T421 WeakPolarHBondContact O-CB 3.17Å; G417-T421 PolarHBondContact O-N 3.26Å; G417-T421 PolarHBondContact O-OG1 2.75Å
418F95.3Very high94.1Very high47 Ų4763.3 Ų63.321%0.20634%0.335CS..Hα-helixtrans-64.5-48.2171.2-176.8-94.6000111.1A379 V382 L403 A404 Q414 E415 A416 E420 T421 V422A379-F418 HydrophobicContact CB-CE1 4.36Å; A379-F418 HydrophobicContact CB-CZ 4.04Å; V382-F418 HydrophobicContact CG1-CE2 3.82Å; V382-F418 HydrophobicContact CG1-CZ 3.56Å; L403-F418 HydrophobicContact CD2-CD1 4.46Å; L403-F418 HydrophobicContact CD2-CE1 4.44Å; A404-F418 HydrophobicContact CB-CB 4.4Å; A404-F418 HydrophobicContact CB-CD1 3.7Å; A404-F418 HydrophobicContact CB-CE1 4.09Å; A404-F418 HydrophobicContact CB-CG 4Å; Q414-F418 WeakPolarHBondContact O-CB 3.33Å; Q414-F418 PolarHBondContact O-N 3.49Å; E415-F418 WeakPolarHBondContact O-CB 3.37Å; E415-F418 PolarHBondContact O-N 2.99Å; A416-F418 VanDerWaalsContact C-N 3.28Å; A416-F418 PolarHBondContact O-N 2.97Å; F418-E420 VanDerWaalsContact C-N 3.32Å; F418-E420 PolarHBondContact O-N 3.4Å; F418-T421 WeakPolarHBondContact O-CB 3.16Å; F418-T421 PolarHBondContact O-N 3.17Å; F418-T421 VanDerWaalsContact O-N 3.14Å; F418-V422 HydrophobicContact CD1-CG2 3.88Å; F418-V422 HydrophobicContact CE1-CG2 3.57Å; F418-V422 HydrophobicContact CZ-CG2 3.98Å; F418-V422 VanDerWaalsContact O-CG2 3.28Å; F418-V422 WeakPolarHBondContact O-CG2 3.4Å; F418-V422 PolarHBondContact O-N 3.23Å
419A95.2Very high94.2Very high38 Ų3863.5 Ų63.531%0.31434%0.336SS..Hα-helixtrans-60.3-39.5177.900000112.7L403 E415 A416 V422 A423L403-A419 HydrophobicContact CD2-CB 4.28Å; E415-A419 PolarHBondContact O-N 2.98Å; A416-A419 PolarHBondContact O-N 2.82Å; A416-A419 VanDerWaalsContact O-N 3.15Å; A419-V422 WeakPolarHBondContact O-CB 3.37Å; A419-V422 PolarHBondContact O-N 3.24Å; A419-A423 PolarHBondContact O-N 2.63Å
420E95.3Very high94.4Very high129 Ų12962.8 Ų62.860%0.60334%0.338SS*.Hα-helixtrans-64.3-42.6173.9-172.7-177.6178.400111.8A416 F418 V422 A423 N424A416-E420 PolarHBondContact O-N 2.8Å; F418-E420 VanDerWaalsContact C-N 3.32Å; F418-E420 PolarHBondContact O-N 3.4Å; E420-V422 VanDerWaalsContact C-N 3.33Å; E420-V422 PolarHBondContact O-N 3.12Å; E420-A423 PolarHBondContact O-N 2.98Å; E420-N424 WeakPolarHBondContact O-CB 3.38Å; E420-N424 PolarHBondContact O-N 3.16Å; E420-N424 PolarHBondContact O-ND2 3.11Å; E420-N424 VanDerWaalsContact O-ND2 3.16Å
421T96.2Very high94.6Very high75 Ų7561.3 Ų61.346%0.4633%0.33SS..Hα-helixtrans-60.7-43.6175.4-58.70000111.2G417 F418 N424 L425G417-T421 WeakPolarHBondContact O-CB 3.17Å; G417-T421 PolarHBondContact O-N 3.26Å; G417-T421 PolarHBondContact O-OG1 2.75Å; F418-T421 WeakPolarHBondContact O-CB 3.16Å; F418-T421 PolarHBondContact O-N 3.17Å; F418-T421 VanDerWaalsContact O-N 3.14Å; T421-N424 PolarHBondContact O-N 3.28Å; T421-L425 HydrophobicContact CG2-CD1 4.21Å; T421-L425 WeakPolarHBondContact O-CG 3.42Å; T421-L425 PolarHBondContact O-N 3.02Å
422V96.3Very high94.7Very high0 Ų061.9 Ų61.90%033%0.331CS..Hα-helixtrans-58.8-48.5175.7170.50000110.8V382 V401 L403 F418 A419 E420 N424 L425 A426 A444 F446V382-V422 HydrophobicContact CG1-CG2 4.37Å; V382-V422 HydrophobicContact CG2-CG2 4.14Å; V401-V422 HydrophobicContact CB-CG1 3.76Å; V401-V422 HydrophobicContact CG1-CG1 3.6Å; V401-V422 HydrophobicContact CG1-CG2 4.13Å; V401-V422 HydrophobicContact CG2-CG1 4Å; L403-V422 HydrophobicContact CD2-CB 4.39Å; L403-V422 HydrophobicContact CD2-CG1 4.33Å; L403-V422 HydrophobicContact CD2-CG2 4.19Å; F418-V422 HydrophobicContact CD1-CG2 3.88Å; F418-V422 HydrophobicContact CE1-CG2 3.57Å; F418-V422 HydrophobicContact CZ-CG2 3.98Å; F418-V422 VanDerWaalsContact O-CG2 3.28Å; F418-V422 WeakPolarHBondContact O-CG2 3.4Å; F418-V422 PolarHBondContact O-N 3.23Å; A419-V422 WeakPolarHBondContact O-CB 3.37Å; A419-V422 PolarHBondContact O-N 3.24Å; E420-V422 VanDerWaalsContact C-N 3.33Å; E420-V422 PolarHBondContact O-N 3.12Å; V422-N424 VanDerWaalsContact C-N 3.32Å; V422-N424 PolarHBondContact O-N 3.19Å; V422-L425 PolarHBondContact O-N 2.68Å; V422-A426 WeakPolarHBondContact O-CB 3.37Å; V422-A426 PolarHBondContact O-N 3.3Å; V422-A444 HydrophobicContact CG1-CB 4.42Å; V422-F446 HydrophobicContact CG1-CE2 3.95Å; V422-F446 HydrophobicContact CG1-CZ 3.97Å
423A95.4Very high94.8Very high28 Ų2857.6 Ų57.623%0.23132%0.319CS..Hα-helixtrans-60.1-42.4178.300000112A419 E420 L425 A426 L427 F446A419-A423 PolarHBondContact O-N 2.63Å; E420-A423 PolarHBondContact O-N 2.98Å; A423-L425 PolarHBondContact O-N 3.3Å; A423-A426 PolarHBondContact O-N 3.05Å; A423-L427 WeakPolarHBondContact O-CB 3.46Å; A423-L427 VanDerWaalsContact O-CG 3.32Å; A423-L427 WeakPolarHBondContact O-CG 3.38Å; A423-L427 PolarHBondContact O-N 3.09Å; A423-F446 HydrophobicContact CB-CE1 4.27Å; A423-F446 HydrophobicContact CB-CZ 4.44Å
424N95.7Very high94.6Very high74 Ų7452.9 Ų52.940%0.39629%0.294SS..Hα-helixtrans-64-39.1176.7-75.5-38.3000113E420 T421 V422 K428E420-N424 WeakPolarHBondContact O-CB 3.38Å; E420-N424 PolarHBondContact O-N 3.16Å; E420-N424 PolarHBondContact O-ND2 3.11Å; E420-N424 VanDerWaalsContact O-ND2 3.16Å; T421-N424 PolarHBondContact O-N 3.28Å; V422-N424 VanDerWaalsContact C-N 3.32Å; V422-N424 PolarHBondContact O-N 3.19Å; N424-K428 VanDerWaalsContact O-CG 3.31Å; N424-K428 WeakPolarHBondContact O-CG 3.04Å; N424-K428 PolarHBondContact O-N 3.13Å
425L96.6Very high93.7Very high41 Ų4154.9 Ų54.922%0.21532%0.315CS..Hα-helixtrans-68.3-43.1175.9-70.1172.3000111.5V382 L385 T421 V422 A423 K428 A429V382-L425 HydrophobicContact CG2-CD1 4.33Å; L385-L425 HydrophobicContact CD2-CB 3.95Å; L385-L425 HydrophobicContact CG-CB 4.44Å; T421-L425 HydrophobicContact CG2-CD1 4.21Å; T421-L425 WeakPolarHBondContact O-CG 3.42Å; T421-L425 PolarHBondContact O-N 3.02Å; V422-L425 PolarHBondContact O-N 2.68Å; A423-L425 PolarHBondContact O-N 3.3Å; L425-K428 PolarHBondContact O-N 3.13Å; L425-A429 PolarHBondContact O-N 2.92Å
426A95.8Very high92.5Very high0 Ų061.4 Ų61.40%035%0.346CS..Hα-helixtrans-60.4-45.8176.500000111.9L399 V422 A423 K428 A429 G430 F431 F446L399-A426 HydrophobicContact CD2-CB 3.9Å; V422-A426 WeakPolarHBondContact O-CB 3.37Å; V422-A426 PolarHBondContact O-N 3.3Å; A423-A426 PolarHBondContact O-N 3.05Å; A426-K428 PolarHBondContact O-N 3.32Å; A426-A429 CarbonylContact O-C 3.33Å; A426-A429 WeakPolarHBondContact O-CA 3.28Å; A426-A429 PolarHBondContact O-N 2.86Å; A426-G430 PolarHBondContact O-N 3.22Å; A426-F431 CarbonylContact C-O 3.53Å; A426-F431 HydrophobicContact CB-CB 4.33Å; A426-F431 PolarHBondContact O-N 3.26Å; A426-F446 HydrophobicContact CB-CD1 3.58Å; A426-F446 HydrophobicContact CB-CD2 3.93Å; A426-F446 HydrophobicContact CB-CE1 3.65Å; A426-F446 HydrophobicContact CB-CE2 3.98Å; A426-F446 HydrophobicContact CB-CG 3.75Å; A426-F446 HydrophobicContact CB-CZ 3.85Å
427L95.2Very high91Very high78 Ų7859.8 Ų59.841%0.40833%0.334SS..Hα-helixtrans-59.2-44.2176.2-74.9170.1000112.1A423 A429 G430 F431A423-L427 WeakPolarHBondContact O-CB 3.46Å; A423-L427 VanDerWaalsContact O-CG 3.32Å; A423-L427 WeakPolarHBondContact O-CG 3.38Å; A423-L427 PolarHBondContact O-N 3.09Å; L427-A429 PolarHBondContact O-N 3.33Å; L427-G430 PolarHBondContact O-N 2.97Å; L427-F431 VanDerWaalsContact CA-O 3.28Å; L427-F431 WeakPolarHBondContact CA-O 3.43Å; L427-F431 PolarHBondContact N-O 2.81Å
428K94.7Very high89.2Confident149 Ų14963.5 Ų63.565%0.64836%0.362SS*.Hα-helixtrans-63.7-28.5175.7-73.1173.6-177.7177.70112.9P387 N424 L425 A426 G430P387-K428 WeakPolarHBondContact CB-O 3.34Å; P387-K428 HydrophobicContact CG-CB 4.38Å; N424-K428 VanDerWaalsContact O-CG 3.31Å; N424-K428 WeakPolarHBondContact O-CG 3.04Å; N424-K428 PolarHBondContact O-N 3.13Å; L425-K428 PolarHBondContact O-N 3.13Å; A426-K428 PolarHBondContact O-N 3.32Å; K428-G430 VanDerWaalsContact C-N 3.27Å
429A94.3Very high87.9Confident3 Ų366.3 Ų66.33%0.02539%0.388CS..THydrogen-bonded Turntrans-832.7174.400000114.3L385 M389 L425 A426 L427 F431L385-A429 HydrophobicContact CD1-CB 4.17Å; L385-A429 HydrophobicContact CG-CB 4.36Å; M389-A429 HydrophobicContact CB-CB 4.49Å; L425-A429 PolarHBondContact O-N 2.92Å; A426-A429 CarbonylContact O-C 3.33Å; A426-A429 WeakPolarHBondContact O-CA 3.28Å; A426-A429 PolarHBondContact O-N 2.86Å; L427-A429 PolarHBondContact O-N 3.33Å; A429-F431 HydrophobicContact CB-CD2 3.95Å; A429-F431 HydrophobicContact CB-CE2 4.33Å; A429-F431 WeakPolarHBondContact O-CD2 3.35Å
430G93.9Very high86.9Confident23 Ų2366.8 Ų66.824%0.23739%0.385CS..THydrogen-bonded Turntrans82.625.7178.600000113.9A426 L427 K428 Q449A426-G430 PolarHBondContact O-N 3.22Å; L427-G430 PolarHBondContact O-N 2.97Å; K428-G430 VanDerWaalsContact C-N 3.27Å; G430-Q449 WeakPolarHBondContact O-CG 3.4Å; G430-Q449 PolarHBondContact O-N 3.47Å
431F94.9Very high86.4Confident4 Ų462 Ų622%0.01837%0.371CS..EExtended strand (participates in β ladder)trans-114.9135.6175.8-66.3-93.7000110.9A393 L399 A426 L427 A429 F446 V447 Q448A393-F431 HydrophobicContact CB-CE1 4.34Å; A393-F431 HydrophobicContact CB-CZ 3.65Å; L399-F431 HydrophobicContact CB-CD1 3.6Å; L399-F431 HydrophobicContact CB-CD2 4.43Å; L399-F431 HydrophobicContact CB-CE1 3.75Å; L399-F431 HydrophobicContact CB-CG 3.97Å; L399-F431 HydrophobicContact CB-CZ 4.21Å; L399-F431 HydrophobicContact CD2-CB 4.14Å; L399-F431 HydrophobicContact CD2-CD1 4.42Å; L399-F431 HydrophobicContact CD2-CD2 3.9Å; L399-F431 HydrophobicContact CD2-CE2 4.39Å; L399-F431 HydrophobicContact CD2-CG 3.91Å; A426-F431 CarbonylContact C-O 3.53Å; A426-F431 HydrophobicContact CB-CB 4.33Å; A426-F431 PolarHBondContact O-N 3.26Å; L427-F431 VanDerWaalsContact CA-O 3.28Å; L427-F431 WeakPolarHBondContact CA-O 3.43Å; L427-F431 PolarHBondContact N-O 2.81Å; A429-F431 HydrophobicContact CB-CD2 3.95Å; A429-F431 HydrophobicContact CB-CE2 4.33Å; A429-F431 WeakPolarHBondContact O-CD2 3.35Å; F431-F446 HydrophobicContact CB-CB 3.71Å; F431-V447 CarbonylContact C-O 3.52Å; F431-V447 VanDerWaalsContact CA-O 3.28Å; F431-V447 WeakPolarHBondContact CA-O 3.5Å; F431-Q448 HydrophobicContact CD1-CB 4.25Å; F431-Q448 HydrophobicContact CE1-CB 4.09Å
432E93.6Very high86.2Confident87 Ų8758.5 Ų58.541%0.40735%0.349SS..EExtended strand (participates in β ladder)trans-108.3149.6176.963.8-174.8-179.800111.7W434 F446 V447 Q449E432-W434 PolarHBondContact O-N 2.99Å; E432-F446 CarbonylContact O-C 3.48Å; E432-F446 WeakPolarHBondContact O-CA 3.46Å; E432-F446 WeakPolarHBondContact O-CB 3.33Å; E432-V447 HydrophobicContact CG-CG2 3.84Å; E432-V447 PolarHBondContact N-O 3.13Å; E432-V447 PolarHBondContact O-N 2.91Å; E432-Q449 HydrophobicContact CB-CG 4.08Å; E432-Q449 HydrophobicContact CG-CG 4.21Å
433P92.4Very high86.1Confident66 Ų6658.8 Ų58.843%0.42935%0.35SS..EExtended strand (participates in β ladder)trans-57.7133.4179.4-23.233.1000112C435 F446P433-C435 PolarHBondContact O-N 3.28Å; P433-F446 HydrophobicContact CB-CD1 4.33Å; P433-F446 HydrophobicContact CB-CE1 4.45Å; P433-F446 HydrophobicContact CG-CD1 4.16Å; P433-F446 HydrophobicContact CG-CE1 4.12Å
434W90.1Very high86Confident64 Ų6458.5 Ų58.524%0.24235%0.348CS..  trans-85.5104.7175.2-178.148.9000110.6L27 E432 E436 G437 V445 V447L27-W434 WeakPolarHBondContact O-CZ3 3.38Å; E432-W434 PolarHBondContact O-N 2.99Å; W434-E436 HydrophobicContact CZ2-CB 4.31Å; W434-G437 VanDerWaalsContact CZ3-CA 3.5Å; W434-V445 HydrophobicContact CB-CG1 4.23Å; W434-V445 HydrophobicContact CD2-CG1 4.44Å; W434-V445 HydrophobicContact CE3-CB 4.1Å; W434-V445 HydrophobicContact CE3-CG1 3.72Å; W434-V445 PolarHBondContact N-O 2.49Å; W434-V447 HydrophobicContact CB-CG1 4.08Å; W434-V447 HydrophobicContact CB-CG2 4.48Å; W434-V447 HydrophobicContact CG-CG1 4.11Å
435C75.1Confident86Confident119 Ų11956.2 Ų56.280%0.80434%0.337SS*.THydrogen-bonded Turntrans-83.7-12.4-172.7-63.70000115.2P433P433-C435 PolarHBondContact O-N 3.28Å
436E68.4Low85.9Confident176 Ų17654.6 Ų54.682%0.82233%0.328SS*.THydrogen-bonded Turntrans-87.2-9-177.3-61.9-180162.600113.2W434W434-E436 HydrophobicContact CZ2-CB 4.31Å
437G61.5Low85.8Confident25 Ų2555.7 Ų55.726%0.25833%0.334SS..SBendtrans-88.2148.1176.900000113.2W434 S439W434-G437 VanDerWaalsContact CZ3-CA 3.5Å; G437-S439 PolarHBondContact O-N 3.42Å
438A57.5Low85.6Confident107 Ų10753.5 Ų53.588%0.88432%0.322SS*.  trans-67120.3167.500000109.6D440A438-D440 PolarHBondContact O-N 3.21Å
439S67.9Low85Confident106 Ų10650.4 Ų50.474%0.74131%0.31SS*.  trans-71.9114.7171.2-174.30000109.4G437 G441G437-S439 PolarHBondContact O-N 3.42Å; S439-G441 PolarHBondContact OG-N 3.46Å
440D74.6Confident84Confident49 Ų4958.4 Ų58.426%0.26234%0.344SS..  trans-80.6-6.7172.271.7-0.6000112.2R22 K405 A438 V442 H443R22-D440 IonicContact CZ-OD2 3.78Å; R22-D440 IonicContact NE-OD2 2.83Å; R22-D440 PolarHBondContact NE-OD2 2.82Å; R22-D440 IonicContact NH2-OD2 2.74Å; R22-D440 PolarHBondContact NH2-OD2 2.97Å; R22-D440 VanDerWaalsContact NH2-OD2 3.12Å; K405-D440 PolarHBondContact NZ-O 2.97Å; A438-D440 PolarHBondContact O-N 3.21Å; D440-V442 PolarHBondContact O-N 3.26Å; D440-V442 VanDerWaalsContact O-N 3.09Å; D440-V442 WeakPolarHBondContact OD1-CA 3.27Å; D440-V442 WeakPolarHBondContact OD1-CB 3.41Å; D440-V442 PolarHBondContact OD1-N 3.09Å; D440-H443 PolarHBondContact OD1-N 2.91Å; D440-H443 IonicContact OD1-ND1 2.69Å; D440-H443 IonicContact OD2-ND1 3.73Å; D440-H443 PolarHBondContact OD2-ND1 2.86Å
441G83.8Confident82.3Confident29 Ų2970.5 Ų70.530%0.29939%0.39SS..SBendtrans64.71.3-173.800000113.9K405 S439K405-G441 WeakPolarHBondContact CB-O 3.46Å; K405-G441 WeakPolarHBondContact CD-O 3.33Å; S439-G441 PolarHBondContact OG-N 3.46Å
442V92.1Very high81.7Confident1 Ų173.8 Ų73.81%0.00641%0.409CS..SBendtrans-97.9-36.1177.4-172.60000109.8L403 K405 Y406 D440L403-V442 WeakPolarHBondContact CA-O 3.45Å; L403-V442 WeakPolarHBondContact CB-O 3.19Å; L403-V442 PolarHBondContact N-O 3.06Å; K405-V442 HydrophobicContact CD-CG2 3.82Å; Y406-V442 HydrophobicContact CD2-CG1 4.2Å; Y406-V442 HydrophobicContact CE2-CB 4.49Å; Y406-V442 HydrophobicContact CE2-CG1 3.96Å; Y406-V442 HydrophobicContact CE2-CG2 3.65Å; D440-V442 PolarHBondContact O-N 3.26Å; D440-V442 VanDerWaalsContact O-N 3.09Å; D440-V442 WeakPolarHBondContact OD1-CA 3.27Å; D440-V442 WeakPolarHBondContact OD1-CB 3.41Å; D440-V442 PolarHBondContact OD1-N 3.09Å
443H94.3Very high81Confident6 Ų673.1 Ų73.13%0.02841%0.409CS..EExtended strand (participates in β ladder)trans-125.5140.8176.9-54.888000110.3S19 H48 V400 V401 D440S19-H443 VanDerWaalsContact CB-CE1 3.48Å; S19-H443 WeakPolarHBondContact CB-CE1 3.46Å; S19-H443 WeakPolarHBondContact CB-NE2 3.43Å; S19-H443 PolarHBondContact OG-NE2 3.06Å; S19-H443 VanDerWaalsContact OG-NE2 3.09Å; H48-H443 AromaticContact CE1-NE2 3.99Å; V400-H443 HydrophobicContact CG1-CB 4.17Å; V401-H443 CarbonylContact O-C 3.52Å; V401-H443 VanDerWaalsContact O-CA 3.28Å; V401-H443 WeakPolarHBondContact O-CA 3.31Å; D440-H443 PolarHBondContact OD1-N 2.91Å; D440-H443 IonicContact OD1-ND1 2.69Å; D440-H443 IonicContact OD2-ND1 3.73Å; D440-H443 PolarHBondContact OD2-ND1 2.86Å
444A94.6Very high80.4Confident21 Ų2173.5 Ų73.517%0.17441%0.408CS..EExtended strand (participates in β ladder)trans-99132.216500000108.9V401 L403 V422 F446V401-A444 PolarHBondContact N-O 3.45Å; V401-A444 PolarHBondContact O-N 3.35Å; L403-A444 HydrophobicContact CD1-CB 4.16Å; L403-A444 HydrophobicContact CD2-CB 3.93Å; L403-A444 HydrophobicContact CG-CB 4.15Å; V422-A444 HydrophobicContact CG1-CB 4.42Å; A444-F446 HydrophobicContact CB-CD2 4.47Å; A444-F446 HydrophobicContact CB-CE2 3.48Å; A444-F446 VanDerWaalsContact CB-CE2 3.48Å; A444-F446 HydrophobicContact CB-CZ 3.73Å
445V95.1Very high79.8Confident27 Ų2774.1 Ų74.116%0.16442%0.417CS..EExtended strand (participates in β ladder)trans-115.2132.1-178.6-175.10000109.1L27 V398 L399 W434L27-V445 HydrophobicContact CB-CG2 4.4Å; L27-V445 WeakPolarHBondContact O-CG1 3.47Å; V398-V445 HydrophobicContact CG1-CG1 3.58Å; L399-V445 WeakPolarHBondContact O-CA 3.36Å; W434-V445 HydrophobicContact CB-CG1 4.23Å; W434-V445 HydrophobicContact CD2-CG1 4.44Å; W434-V445 HydrophobicContact CE3-CB 4.1Å; W434-V445 HydrophobicContact CE3-CG1 3.72Å; W434-V445 PolarHBondContact N-O 2.49Å
446F94.6Very high80.1Confident7 Ų771.3 Ų71.33%0.03139%0.393CS..EExtended strand (participates in β ladder)trans-130.6149.3180-49.5-97.7000110V398 L399 V401 V422 A423 A426 F431 E432 P433 A444V398-F446 WeakPolarHBondContact CA-O 3.29Å; L399-F446 HydrophobicContact CB-CB 4.22Å; L399-F446 HydrophobicContact CD2-CB 4.49Å; L399-F446 HydrophobicContact CD2-CD2 4.22Å; L399-F446 HydrophobicContact CG-CD2 4.27Å; L399-F446 PolarHBondContact N-O 3.47Å; L399-F446 PolarHBondContact O-N 3.33Å; V401-F446 HydrophobicContact CB-CE2 4.5Å; V401-F446 HydrophobicContact CG2-CD2 4.4Å; V401-F446 HydrophobicContact CG2-CE2 4.1Å; V422-F446 HydrophobicContact CG1-CE2 3.95Å; V422-F446 HydrophobicContact CG1-CZ 3.97Å; A423-F446 HydrophobicContact CB-CE1 4.27Å; A423-F446 HydrophobicContact CB-CZ 4.44Å; A426-F446 HydrophobicContact CB-CD1 3.58Å; A426-F446 HydrophobicContact CB-CD2 3.93Å; A426-F446 HydrophobicContact CB-CE1 3.65Å; A426-F446 HydrophobicContact CB-CE2 3.98Å; A426-F446 HydrophobicContact CB-CG 3.75Å; A426-F446 HydrophobicContact CB-CZ 3.85Å; F431-F446 HydrophobicContact CB-CB 3.71Å; E432-F446 CarbonylContact O-C 3.48Å; E432-F446 WeakPolarHBondContact O-CA 3.46Å; E432-F446 WeakPolarHBondContact O-CB 3.33Å; P433-F446 HydrophobicContact CB-CD1 4.33Å; P433-F446 HydrophobicContact CB-CE1 4.45Å; P433-F446 HydrophobicContact CG-CD1 4.16Å; P433-F446 HydrophobicContact CG-CE1 4.12Å; A444-F446 HydrophobicContact CB-CD2 4.47Å; A444-F446 HydrophobicContact CB-CE2 3.48Å; A444-F446 VanDerWaalsContact CB-CE2 3.48Å; A444-F446 HydrophobicContact CB-CZ 3.73Å
447V93.8Very high80.9Confident22 Ų2264.3 Ų64.313%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-114.6148.2176.6-720000109.7P29 V398 F431 E432 W434 Q449P29-V447 HydrophobicContact CG-CG1 3.8Å; V398-V447 HydrophobicContact CG2-CG1 4.42Å; F431-V447 CarbonylContact C-O 3.52Å; F431-V447 VanDerWaalsContact CA-O 3.28Å; F431-V447 WeakPolarHBondContact CA-O 3.5Å; E432-V447 HydrophobicContact CG-CG2 3.84Å; E432-V447 PolarHBondContact N-O 3.13Å; E432-V447 PolarHBondContact O-N 2.91Å; W434-V447 HydrophobicContact CB-CG1 4.08Å; W434-V447 HydrophobicContact CB-CG2 4.48Å; W434-V447 HydrophobicContact CG-CG1 4.11Å; V447-Q449 PolarHBondContact O-N 2.89Å
448Q89.8Confident82.3Confident33 Ų3367.1 Ų67.115%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-62.9132.2178.2-168.1179.840.900110.5G390 A393 A394 A397 F431 K450G390-Q448 PolarHBondContact O-NE2 2.98Å; G390-Q448 VanDerWaalsContact O-NE2 3.16Å; A393-Q448 PolarHBondContact O-NE2 3.03Å; A394-Q448 PolarHBondContact O-OE1 2.79Å; A397-Q448 PolarHBondContact O-N 3.06Å; A397-Q448 VanDerWaalsContact O-N 3.1Å; F431-Q448 HydrophobicContact CD1-CB 4.25Å; F431-Q448 HydrophobicContact CE1-CB 4.09Å; Q448-K450 PolarHBondContact O-N 3.24Å
449Q83.4Confident84.2Confident83 Ų8364 Ų6439%0.38833%0.333SS..  trans-60.4128.1177-72.9174.6-4.300110.3G430 E432 V447 K451G430-Q449 WeakPolarHBondContact O-CG 3.4Å; G430-Q449 PolarHBondContact O-N 3.47Å; E432-Q449 HydrophobicContact CB-CG 4.08Å; E432-Q449 HydrophobicContact CG-CG 4.21Å; V447-Q449 PolarHBondContact O-N 2.89Å; Q449-K451 PolarHBondContact O-N 2.73Å
450K72.8Confident85.6Confident172 Ų17260.5 Ų60.575%0.74830%0.299SS*.  trans-71.8114.5170.5-65.9-174.7179.2-178.40107.9Q448Q448-K450 PolarHBondContact O-N 3.24Å
451K58Low86.6Confident276 Ų27661.5 Ų61.5100%1.230%0.302SS*.  trans-73.10175-80.5-171.2175.9-177.30112.2Q449Q449-K451 PolarHBondContact O-N 2.73Å

Retrieved 451 of 451 residues in 247.7 ms (Link to these results)

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