A0A087X2Q9_POEFO Loading...

Nuclear factor 1

Recognizes and binds the palindromic sequence 5'-TTGGCNNNNNGCCAA-3' present in viral and cellular promoters and in the origin of replication of adenovirus type 2. These proteins are individually capable of activating transcription and replication.

AlphaFold DB , UniProt , Accession A0A087X2Q9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M33.5Very low42Very low238 Ų238122.9 Ų122.9100%1.17264%0.64SS**  0143.80-61.2171.8-177.800108
2Y34.6Very low44.1Very low238 Ų238128.1 Ų128.193%0.93365%0.654SS**  trans-86.9119.1169-87.8-88.3000108.9
3S30.8Very low47.7Very low75 Ų75121.8 Ų121.852%0.52462%0.62SS.*  trans-68.8128.4-176.1-60.50000112I5 C6S3-I5 PolarHBondContact O-N 3.28Å; S3-I5 VanDerWaalsContact O-N 3.12Å; S3-C6 PolarHBondContact O-N 3.29Å
4P39.8Very low51.1Low109 Ų109119.4 Ų119.471%0.70862%0.617SS**G310 helixtrans-59.6-24.7179-26.535.5000114.6C6 L7P4-C6 PolarHBondContact O-N 3.44Å; P4-C6 VanDerWaalsContact O-N 3.13Å; P4-L7 PolarHBondContact O-N 3.45Å
5I39.2Very low54.1Low121 Ų121112.2 Ų112.262%0.62158%0.579SS**G310 helixtrans-58.2-26.4-176.6-55.8172.7000112.4S3 L7 T8S3-I5 PolarHBondContact O-N 3.28Å; S3-I5 VanDerWaalsContact O-N 3.12Å; I5-L7 PolarHBondContact O-N 3.38Å; I5-L7 VanDerWaalsContact O-N 3.07Å; I5-T8 PolarHBondContact O-N 3.15Å; I5-T8 PolarHBondContact O-OG1 3.42Å
6C44.7Very low56.8Low82 Ų82105.4 Ų105.455%0.55454%0.544SS*.G310 helixtrans-68.6-4.3180-61.50000114.9S3 P4S3-C6 PolarHBondContact O-N 3.29Å; P4-C6 PolarHBondContact O-N 3.44Å; P4-C6 VanDerWaalsContact O-N 3.13Å
7L44.6Very low59.1Low112 Ų112107.1 Ų107.159%0.58655%0.549SS*.G310 helixtrans-91.6-23.4178.4-73.5170.2000114.3P4 I5P4-L7 PolarHBondContact O-N 3.45Å; I5-L7 PolarHBondContact O-N 3.38Å; I5-L7 VanDerWaalsContact O-N 3.07Å
8T44Very low61.2Low105 Ų105103.1 Ų103.164%0.64453%0.534SS*.THydrogen-bonded Turntrans-88.1-28.4-177.951.20000113I5 D10I5-T8 PolarHBondContact O-N 3.15Å; I5-T8 PolarHBondContact O-OG1 3.42Å; T8-D10 VanDerWaalsContact C-N 3.33Å
9Q44.7Very low63.1Low144 Ų14497.6 Ų97.667%0.67351%0.506SS*.THydrogen-bonded Turntrans-74.7-18173.9-71.2-173.8-21.500114.1E11Q9-E11 VanDerWaalsContact C-N 3.32Å
10D52.2Low64.8Low34 Ų3494 Ų9418%0.18249%0.487CS..THydrogen-bonded Turntrans-79.1-8.9178.7-93.4-8000113T8 I16 A77 K81T8-D10 VanDerWaalsContact C-N 3.33Å; D10-I16 WeakPolarHBondContact O-CD1 3.41Å; D10-A77 HydrophobicContact CB-CB 4.18Å; D10-K81 IonicContact OD1-NZ 2.66Å; D10-K81 PolarHBondContact OD1-NZ 3.22Å; D10-K81 IonicContact OD2-NZ 3.12Å; D10-K81 PolarHBondContact OD2-NZ 3.28Å
11E54Low66.4Low94 Ų9492.3 Ų92.344%0.43948%0.483SS..THydrogen-bonded Turntrans-87-29.5176.5-67.8-163.1145.400113.4Q9 K70Q9-E11 VanDerWaalsContact C-N 3.32Å; E11-K70 WeakPolarHBondContact OE1-CE 3.35Å; E11-K70 IonicContact OE1-NZ 2.72Å; E11-K70 PolarHBondContact OE1-NZ 2.96Å; E11-K70 IonicContact OE2-NZ 3.47Å
12F67.6Low69.4Low185 Ų18584.1 Ų84.181%0.81144%0.441SS*.SBendtrans-127.572.6178.1-69.7-85.4000111.4
13H90.8Very high72.4Confident46 Ų4672.8 Ų72.821%0.21340%0.397CS..  trans-118.5128.3174.6-174.3-67.2000110.3F15 I16 E17 R80H13-F15 VanDerWaalsContact C-N 3.32Å; H13-F15 VanDerWaalsContact ND1-CB 3.35Å; H13-F15 WeakPolarHBondContact ND1-CB 3.43Å; H13-F15 PolarHBondContact ND1-N 3.38Å; H13-F15 VanDerWaalsContact ND1-N 3.16Å; H13-F15 PolarHBondContact O-N 2.87Å; H13-F15 VanDerWaalsContact O-N 3.11Å; H13-I16 HydrophobicContact CB-CD1 4.04Å; H13-I16 HydrophobicContact CB-CG1 4.27Å; H13-I16 WeakPolarHBondContact O-CA 3.11Å; H13-I16 WeakPolarHBondContact O-CB 3.3Å; H13-I16 PolarHBondContact O-N 3.11Å; H13-E17 PolarHBondContact O-N 3.26Å; H13-E17 VanDerWaalsContact O-N 3.15Å; H13-R80 PolarHBondContact CE1-NE 3.24Å; H13-R80 PolarHBondContact NE2-NE 3.31Å; H13-R80 VanDerWaalsContact NE2-NE 3.17Å; H13-R80 PolarHBondContact NE2-NH2 3.14Å
14P94.5Very high75.6Confident89 Ų8973.3 Ų73.358%0.57839%0.387SS*.Hα-helixtrans-52.8-40.1-173.3-31.235.8000115.5I16 E17 A18P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 2.87Å; P14-E17 PolarHBondContact O-N 3.42Å; P14-A18 VanDerWaalsContact O-CB 3.28Å; P14-A18 WeakPolarHBondContact O-CB 3.45Å; P14-A18 PolarHBondContact O-N 3.47Å
15F97Very high78.1Confident11 Ų1169.2 Ų69.25%0.04836%0.362CS..Hα-helixtrans-54.2-38.4171.8178.8-83.8000114H13 L19 R80 I83 R88 F91 V92H13-F15 VanDerWaalsContact C-N 3.32Å; H13-F15 VanDerWaalsContact ND1-CB 3.35Å; H13-F15 WeakPolarHBondContact ND1-CB 3.43Å; H13-F15 PolarHBondContact ND1-N 3.38Å; H13-F15 VanDerWaalsContact ND1-N 3.16Å; H13-F15 PolarHBondContact O-N 2.87Å; H13-F15 VanDerWaalsContact O-N 3.11Å; F15-L19 HydrophobicContact CD1-CD1 3.9Å; F15-L19 HydrophobicContact CD2-CD1 4.28Å; F15-L19 HydrophobicContact CE1-CD1 3.51Å; F15-L19 HydrophobicContact CE2-CD1 3.95Å; F15-L19 HydrophobicContact CG-CD1 4.25Å; F15-L19 HydrophobicContact CZ-CD1 3.54Å; F15-L19 WeakPolarHBondContact O-CB 3.15Å; F15-L19 VanDerWaalsContact O-CD1 3.28Å; F15-L19 WeakPolarHBondContact O-CD1 3.41Å; F15-L19 VanDerWaalsContact O-CG 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.15Å; F15-R80 HydrophobicContact CD1-CB 3.69Å; F15-R80 HydrophobicContact CD1-CG 3.9Å; F15-R80 HydrophobicContact CD2-CG 4.38Å; F15-R80 HydrophobicContact CE1-CB 3.55Å; F15-R80 HydrophobicContact CE1-CG 4.12Å; F15-R80 HydrophobicContact CG-CB 4.35Å; F15-R80 HydrophobicContact CG-CG 4.06Å; F15-R80 HydrophobicContact CZ-CB 4.08Å; F15-R80 HydrophobicContact CZ-CG 4.44Å; F15-I83 HydrophobicContact CE2-CD1 4.46Å; F15-I83 HydrophobicContact CZ-CD1 3.92Å; F15-R88 HydrophobicContact CD2-CB 4.02Å; F15-R88 HydrophobicContact CD2-CG 4.5Å; F15-R88 HydrophobicContact CE2-CB 4Å; F15-R88 HydrophobicContact CE2-CG 4.23Å; F15-F91 AromaticContact CE2-CD1 3.71Å; F15-F91 HydrophobicContact CE2-CD1 3.71Å; F15-F91 HydrophobicContact CE2-CE1 4.41Å; F15-F91 AromaticContact CZ-CD1 3.64Å; F15-F91 HydrophobicContact CZ-CD1 3.64Å; F15-F91 AromaticContact CZ-CE1 3.89Å; F15-F91 HydrophobicContact CZ-CE1 3.89Å; F15-V92 HydrophobicContact CB-CG2 4.42Å; F15-V92 HydrophobicContact CD2-CG2 3.51Å; F15-V92 HydrophobicContact CE2-CG2 4.02Å; F15-V92 HydrophobicContact CG-CG2 4.13Å
16I97.1Very high80.8Confident4 Ų463.5 Ų63.52%0.02133%0.333CS..Hα-helixtrans-77.5-48.4-178.9-61.7174.7000109.2D10 H13 P14 A18 L19 L20 L76 A77D10-I16 WeakPolarHBondContact O-CD1 3.41Å; H13-I16 HydrophobicContact CB-CD1 4.04Å; H13-I16 HydrophobicContact CB-CG1 4.27Å; H13-I16 WeakPolarHBondContact O-CA 3.11Å; H13-I16 WeakPolarHBondContact O-CB 3.3Å; H13-I16 PolarHBondContact O-N 3.11Å; P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 2.87Å; I16-A18 PolarHBondContact O-N 3.09Å; I16-L19 PolarHBondContact O-N 3.11Å; I16-L19 VanDerWaalsContact O-N 3.16Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 PolarHBondContact O-N 3.24Å; I16-L76 HydrophobicContact CB-CB 4.4Å; I16-L76 HydrophobicContact CG1-CB 4.07Å; I16-L76 HydrophobicContact CG2-CB 4.07Å; I16-L76 HydrophobicContact CG2-CD1 4.07Å; I16-A77 HydrophobicContact CD1-CB 3.73Å
17E95.8Very high83.3Confident133 Ų13359.6 Ų59.662%0.62131%0.307SS*.Hα-helixtrans-55-50.9178.1-176.7179.7-173.600112H13 P14 L19 L20 P21H13-E17 PolarHBondContact O-N 3.26Å; H13-E17 VanDerWaalsContact O-N 3.15Å; P14-E17 PolarHBondContact O-N 3.42Å; E17-L19 PolarHBondContact O-N 2.9Å; E17-L20 PolarHBondContact O-N 2.83Å; E17-P21 WeakPolarHBondContact O-CD 3.5Å
18A96.8Very high85.8Confident35 Ų3555 Ų5529%0.28928%0.282SS..THydrogen-bonded Turntrans-68.8-16.2179.800000114.4P14 I16 H22 V92 T96P14-A18 VanDerWaalsContact O-CB 3.28Å; P14-A18 WeakPolarHBondContact O-CB 3.45Å; P14-A18 PolarHBondContact O-N 3.47Å; I16-A18 PolarHBondContact O-N 3.09Å; A18-H22 PolarHBondContact O-CD2 2.98Å; A18-V92 HydrophobicContact CB-CG1 3.58Å; A18-T96 VanDerWaalsContact O-CG2 3.31Å; A18-T96 WeakPolarHBondContact O-CG2 3.35Å
19L97.9Very high88.3Confident0 Ų050.1 Ų50.10%025%0.252CS..THydrogen-bonded Turntrans-105.4-21.4179.6-70.7175.5000113.9F15 I16 E17 H22 V23 L76 F91 V92 V95 F137F15-L19 HydrophobicContact CD1-CD1 3.9Å; F15-L19 HydrophobicContact CD2-CD1 4.28Å; F15-L19 HydrophobicContact CE1-CD1 3.51Å; F15-L19 HydrophobicContact CE2-CD1 3.95Å; F15-L19 HydrophobicContact CG-CD1 4.25Å; F15-L19 HydrophobicContact CZ-CD1 3.54Å; F15-L19 WeakPolarHBondContact O-CB 3.15Å; F15-L19 VanDerWaalsContact O-CD1 3.28Å; F15-L19 WeakPolarHBondContact O-CD1 3.41Å; F15-L19 VanDerWaalsContact O-CG 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.15Å; I16-L19 PolarHBondContact O-N 3.11Å; I16-L19 VanDerWaalsContact O-N 3.16Å; E17-L19 PolarHBondContact O-N 2.9Å; L19-H22 WeakPolarHBondContact O-CA 3.49Å; L19-H22 PolarHBondContact O-N 3.12Å; L19-V23 PolarHBondContact O-N 3.21Å; L19-L76 HydrophobicContact CB-CD1 3.99Å; L19-L76 HydrophobicContact CB-CD2 3.95Å; L19-L76 HydrophobicContact CD1-CD2 4.2Å; L19-F91 HydrophobicContact CD1-CD1 3.76Å; L19-F91 HydrophobicContact CD1-CE1 3.5Å; L19-F91 HydrophobicContact CD2-CE1 4.3Å; L19-V92 HydrophobicContact CD1-CG2 4.13Å; L19-V92 HydrophobicContact CD2-CG2 4.47Å; L19-V92 HydrophobicContact CG-CG2 4.11Å; L19-V95 HydrophobicContact CD2-CB 3.71Å; L19-V95 HydrophobicContact CD2-CG1 3.59Å; L19-V95 HydrophobicContact CD2-CG2 4.31Å; L19-F137 HydrophobicContact CD2-CE1 4.25Å
20L97.3Very high90.7Very high25 Ų2544.6 Ų44.613%0.13123%0.225CC..G310 helixtrans-58.6-41-177.4-17565.7000112.8I16 E17 H22 V23 Q69 A72 L76 I231 T232I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 PolarHBondContact O-N 3.24Å; E17-L20 PolarHBondContact O-N 2.83Å; L20-H22 PolarHBondContact O-N 3.07Å; L20-V23 PolarHBondContact O-N 2.88Å; L20-Q69 HydrophobicContact CD2-CB 4.45Å; L20-Q69 HydrophobicContact CD2-CG 4.46Å; L20-A72 HydrophobicContact CD1-CB 3.67Å; L20-L76 HydrophobicContact CB-CD1 4.2Å; L20-L76 HydrophobicContact CD1-CD1 4.34Å; L20-I231 HydrophobicContact CD1-CG2 3.96Å; L20-I231 WeakPolarHBondContact O-CG2 3.39Å; L20-T232 HydrophobicContact CG-CG2 4.11Å
21P96.7Very high92.9Very high59 Ų5943.1 Ų43.138%0.38322%0.217SC..G310 helixtrans-64.9-18.2172.7-22.234.4000114.7E17 P230 T232E17-P21 WeakPolarHBondContact O-CD 3.5Å; P21-P230 WeakPolarHBondContact O-CB 3.4Å; P21-T232 HydrophobicContact CB-CG2 4.44Å; P21-T232 HydrophobicContact CG-CG2 4.36Å
22H97.1Very high94.9Very high66 Ų6639.9 Ų39.931%0.30620%0.203SC..G310 helixtrans-96.2-9.6-177-64-94.8000113.2A18 L19 L20 V95 F137A18-H22 PolarHBondContact O-CD2 2.98Å; L19-H22 WeakPolarHBondContact O-CA 3.49Å; L19-H22 PolarHBondContact O-N 3.12Å; L20-H22 PolarHBondContact O-N 3.07Å; H22-V95 HydrophobicContact CB-CG1 3.67Å; H22-V95 PolarHBondContact ND1-O 3.08Å; H22-F137 HydrophobicContact CB-CD1 4.13Å; H22-F137 HydrophobicContact CB-CE1 4.23Å; H22-F137 WeakPolarHBondContact O-CD1 3.32Å
23V98.1Very high96.2Very high0 Ų031.1 Ų31.10%016%0.164CC..SBendtrans-74.3128.6171.1173.10000109.6L19 L20 A72 L76 L136 F137 P230 I231L19-V23 PolarHBondContact O-N 3.21Å; L20-V23 PolarHBondContact O-N 2.88Å; V23-A72 HydrophobicContact CG1-CB 4.18Å; V23-L76 HydrophobicContact CG2-CD1 4.08Å; V23-L76 HydrophobicContact CG2-CD2 4.06Å; V23-L76 HydrophobicContact CG2-CG 4.3Å; V23-L136 CarbonylContact C-O 3.55Å; V23-L136 WeakPolarHBondContact CA-O 3.19Å; V23-L136 HydrophobicContact CG1-CD2 3.64Å; V23-L136 HydrophobicContact CG2-CD2 4.33Å; V23-F137 HydrophobicContact CG2-CE1 4.04Å; V23-F137 HydrophobicContact CG2-CZ 4.29Å; V23-P230 CarbonylContact O-C 3.52Å; V23-P230 WeakPolarHBondContact O-CA 3.14Å; V23-I231 HydrophobicContact CB-CG2 3.88Å; V23-I231 HydrophobicContact CG1-CB 4.29Å; V23-I231 HydrophobicContact CG1-CD1 4.35Å; V23-I231 HydrophobicContact CG1-CG2 3.99Å; V23-I231 PolarHBondContact O-N 2.95Å
24R97Very high96.4Very high85 Ų8529.8 Ų29.832%0.32116%0.158SC..BIsolated β-bridgetrans-77.1140178.6-54.2-55.1177.8162.6-4.5111.9I26 A27 L136 F137 S227 R228 M229R24-I26 VanDerWaalsContact C-N 3.3Å; R24-I26 HydrophobicContact CB-CG2 4Å; R24-I26 PolarHBondContact O-N 2.99Å; R24-A27 WeakPolarHBondContact O-CB 3.5Å; R24-A27 PolarHBondContact O-N 2.83Å; R24-A27 VanDerWaalsContact O-N 3.14Å; R24-L136 WeakPolarHBondContact CG-O 3.45Å; R24-L136 PolarHBondContact N-O 3.48Å; R24-F137 PolarHBondContact NE-O 2.69Å; R24-S227 VanDerWaalsContact CD-O 3.31Å; R24-S227 WeakPolarHBondContact CD-O 3.28Å; R24-S227 WeakPolarHBondContact CG-O 3.44Å; R24-R228 PolarHBondContact NH1-O 3.47Å; R24-M229 CarbonylContact C-O 3.54Å; R24-M229 WeakPolarHBondContact CA-O 3.46Å
25A93.6Very high96.5Very high23 Ų2325.9 Ų25.919%0.1913%0.133CC..THydrogen-bonded Turntrans-59.2-39.2-176.600000112.8A27 Y28 M229A25-A27 PolarHBondContact O-N 2.73Å; A25-A27 VanDerWaalsContact O-N 3.07Å; A25-Y28 PolarHBondContact O-N 3.36Å; A25-M229 HydrophobicContact CB-CB 4.23Å; A25-M229 PolarHBondContact N-O 2.8Å
26I95.3Very high96.4Very high1 Ų129.1 Ų29.11%0.00515%0.145CC..Hα-helixtrans-50.9-32.6176.3-167.6179.6000113.6R24 Y28 T29 W30 P141 L223 V226R24-I26 VanDerWaalsContact C-N 3.3Å; R24-I26 HydrophobicContact CB-CG2 4Å; R24-I26 PolarHBondContact O-N 2.99Å; I26-Y28 VanDerWaalsContact C-N 3.29Å; I26-Y28 PolarHBondContact O-N 3.27Å; I26-T29 PolarHBondContact O-N 2.96Å; I26-T29 VanDerWaalsContact O-N 3.16Å; I26-W30 WeakPolarHBondContact O-CB 3.35Å; I26-W30 PolarHBondContact O-N 3.47Å; I26-P141 HydrophobicContact CD1-CB 4.1Å; I26-P141 HydrophobicContact CD1-CG 4.39Å; I26-L223 HydrophobicContact CD1-CD1 3.37Å; I26-V226 HydrophobicContact CB-CB 4.39Å; I26-V226 HydrophobicContact CB-CG2 4.01Å; I26-V226 WeakPolarHBondContact CB-O 3.45Å; I26-V226 HydrophobicContact CD1-CG2 3.99Å; I26-V226 HydrophobicContact CG1-CG2 3.89Å; I26-V226 PolarHBondContact N-O 3.31Å
27A97.3Very high96.2Very high0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-60.3-39.2-174.300000111.9R24 A25 F31 W71 I135 L136R24-A27 WeakPolarHBondContact O-CB 3.5Å; R24-A27 PolarHBondContact O-N 2.83Å; R24-A27 VanDerWaalsContact O-N 3.14Å; A25-A27 PolarHBondContact O-N 2.73Å; A25-A27 VanDerWaalsContact O-N 3.07Å; A27-F31 HydrophobicContact CB-CD2 4.5Å; A27-F31 HydrophobicContact CB-CE2 4.43Å; A27-F31 WeakPolarHBondContact O-CD2 3.34Å; A27-F31 PolarHBondContact O-N 2.87Å; A27-F31 VanDerWaalsContact O-N 3.08Å; A27-W71 HydrophobicContact CB-CH2 3.94Å; A27-W71 HydrophobicContact CB-CZ3 4.29Å; A27-I135 HydrophobicContact CB-CG2 3.87Å; A27-L136 HydrophobicContact CB-CD2 3.9Å
28Y97.1Very high96.1Very high15 Ų1528.4 Ų28.46%0.05914%0.138CC..Hα-helixtrans-60.6-54.1175175-85.9000110.8A25 I26 W30 N32 L60 E63 K68 W71A25-Y28 PolarHBondContact O-N 3.36Å; I26-Y28 VanDerWaalsContact C-N 3.29Å; I26-Y28 PolarHBondContact O-N 3.27Å; Y28-W30 VanDerWaalsContact C-N 3.33Å; Y28-W30 PolarHBondContact O-N 3.29Å; Y28-N32 WeakPolarHBondContact CE2-ND2 3.48Å; Y28-N32 WeakPolarHBondContact O-CB 3.14Å; Y28-N32 PolarHBondContact O-N 3.24Å; Y28-N32 VanDerWaalsContact O-N 3.12Å; Y28-N32 PolarHBondContact O-ND2 3.49Å; Y28-L60 HydrophobicContact CE1-CD2 3.87Å; Y28-E63 HydrophobicContact CE1-CB 4.28Å; Y28-E63 HydrophobicContact CE1-CG 4.01Å; Y28-K68 HydrophobicContact CD1-CD 4.36Å; Y28-K68 HydrophobicContact CD1-CG 3.77Å; Y28-K68 HydrophobicContact CD2-CB 4.22Å; Y28-K68 HydrophobicContact CD2-CG 3.99Å; Y28-K68 HydrophobicContact CE1-CG 4.12Å; Y28-K68 HydrophobicContact CE2-CG 4.29Å; Y28-K68 HydrophobicContact CG-CB 4.24Å; Y28-K68 HydrophobicContact CG-CG 3.74Å; Y28-W71 HydrophobicContact CD2-CB 3.87Å; Y28-W71 AromaticContact CD2-CD2 3.73Å; Y28-W71 HydrophobicContact CD2-CD2 3.73Å; Y28-W71 AromaticContact CD2-CE3 3.72Å; Y28-W71 HydrophobicContact CD2-CE3 3.72Å; Y28-W71 AromaticContact CD2-CG 3.79Å; Y28-W71 HydrophobicContact CD2-CG 3.79Å; Y28-W71 HydrophobicContact CE2-CB 3.99Å; Y28-W71 HydrophobicContact CE2-CG 4.16Å; Y28-W71 HydrophobicContact CG-CE3 4.25Å
29T96.2Very high95.9Very high3 Ų332 Ų322%0.01815%0.147CC..Hα-helixtrans-61-43.9-177.3-54.60000110.7I26 N32 L33 K57 L60 L61 F218I26-T29 PolarHBondContact O-N 2.96Å; I26-T29 VanDerWaalsContact O-N 3.16Å; T29-N32 PolarHBondContact O-N 3.46Å; T29-L33 WeakPolarHBondContact O-CB 3.47Å; T29-L33 PolarHBondContact O-N 2.89Å; T29-K57 HydrophobicContact CG2-CG 4.46Å; T29-L60 HydrophobicContact CG2-CB 3.89Å; T29-L61 HydrophobicContact CG2-CD2 4.15Å; T29-L61 HydrophobicContact CG2-CG 4.1Å; T29-F218 HydrophobicContact CG2-CZ 3.94Å
30W96.3Very high95.8Very high29 Ų2933.7 Ų33.711%0.1115%0.154CC..Hα-helixtrans-65-51.7-178.1-171-115.4000113I26 Y28 N32 L33 Q34 P141 L142 E143 F218I26-W30 WeakPolarHBondContact O-CB 3.35Å; I26-W30 PolarHBondContact O-N 3.47Å; Y28-W30 VanDerWaalsContact C-N 3.33Å; Y28-W30 PolarHBondContact O-N 3.29Å; W30-N32 VanDerWaalsContact C-N 3.31Å; W30-N32 PolarHBondContact O-N 3.39Å; W30-L33 HydrophobicContact CE3-CD2 4.47Å; W30-L33 HydrophobicContact CZ3-CD2 4.48Å; W30-L33 PolarHBondContact O-N 2.84Å; W30-Q34 HydrophobicContact CD2-CG 4.23Å; W30-Q34 HydrophobicContact CZ2-CG 4.24Å; W30-Q34 VanDerWaalsContact CZ2-NE2 3.29Å; W30-Q34 VanDerWaalsContact O-CB 3.31Å; W30-Q34 WeakPolarHBondContact O-CB 3.48Å; W30-Q34 VanDerWaalsContact O-CG 3.31Å; W30-Q34 WeakPolarHBondContact O-CG 3.29Å; W30-Q34 PolarHBondContact O-N 2.93Å; W30-P141 HydrophobicContact CD2-CB 3.61Å; W30-P141 HydrophobicContact CE3-CB 3.81Å; W30-P141 HydrophobicContact CG-CB 4.12Å; W30-P141 HydrophobicContact CH2-CB 4.07Å; W30-P141 HydrophobicContact CZ2-CB 3.87Å; W30-P141 WeakPolarHBondContact CZ2-O 3.28Å; W30-P141 HydrophobicContact CZ3-CB 4.04Å; W30-L142 PolarHBondContact NE1-O 3.37Å; W30-E143 HydrophobicContact CZ2-CG 4.17Å; W30-F218 HydrophobicContact CE3-CE2 4.18Å; W30-F218 HydrophobicContact CZ3-CE2 4.34Å
31F97Very high95.6Very high2 Ų237.7 Ų37.71%0.00917%0.17CC..Hα-helixtrans-63.5-36.7179.1-74.9-58.2000112.4A27 A35 W71 C119 L120 W127 V132 I135A27-F31 HydrophobicContact CB-CD2 4.5Å; A27-F31 HydrophobicContact CB-CE2 4.43Å; A27-F31 WeakPolarHBondContact O-CD2 3.34Å; A27-F31 PolarHBondContact O-N 2.87Å; A27-F31 VanDerWaalsContact O-N 3.08Å; F31-A35 WeakPolarHBondContact O-CB 3.22Å; F31-A35 PolarHBondContact O-N 3.37Å; F31-A35 VanDerWaalsContact O-N 3.09Å; F31-W71 HydrophobicContact CB-CZ2 4.35Å; F31-W71 AromaticContact CD2-CH2 3.75Å; F31-W71 HydrophobicContact CD2-CH2 3.75Å; F31-W71 AromaticContact CD2-CZ2 3.54Å; F31-W71 HydrophobicContact CD2-CZ2 3.54Å; F31-W71 HydrophobicContact CE2-CH2 4.29Å; F31-W71 HydrophobicContact CE2-CZ2 4.28Å; F31-W71 HydrophobicContact CG-CZ2 4.32Å; F31-C119 HydrophobicContact CD1-CB 3.9Å; F31-C119 HydrophobicContact CD2-CB 4.29Å; F31-C119 HydrophobicContact CE1-CB 4.14Å; F31-C119 VanDerWaalsContact CE1-SG 3.53Å; F31-C119 HydrophobicContact CG-CB 3.99Å; F31-C119 HydrophobicContact CZ-CB 4.44Å; F31-L120 HydrophobicContact CB-CD1 4.34Å; F31-L120 WeakPolarHBondContact O-CD1 3.24Å; F31-W127 HydrophobicContact CD1-CD2 4.19Å; F31-W127 AromaticContact CD1-CE2 3.8Å; F31-W127 HydrophobicContact CD1-CH2 4.25Å; F31-W127 AromaticContact CD1-CZ2 3.85Å; F31-W127 HydrophobicContact CD1-CZ2 3.85Å; F31-W127 AromaticContact CE1-CD2 3.7Å; F31-W127 HydrophobicContact CE1-CD2 3.7Å; F31-W127 AromaticContact CE1-CE2 3.81Å; F31-W127 AromaticContact CE1-CE3 3.83Å; F31-W127 HydrophobicContact CE1-CE3 3.83Å; F31-W127 HydrophobicContact CE1-CG 4.2Å; F31-W127 HydrophobicContact CE1-CH2 4.16Å; F31-W127 HydrophobicContact CE1-CZ2 4.06Å; F31-W127 HydrophobicContact CE1-CZ3 4.05Å; F31-V132 HydrophobicContact CE2-CG1 4.35Å; F31-V132 HydrophobicContact CZ-CB 4.36Å; F31-V132 HydrophobicContact CZ-CG1 4.01Å; F31-V132 HydrophobicContact CZ-CG2 4.2Å; F31-I135 HydrophobicContact CD2-CG2 4.27Å; F31-I135 HydrophobicContact CE1-CD1 3.74Å; F31-I135 HydrophobicContact CE2-CB 4.2Å; F31-I135 HydrophobicContact CE2-CG2 3.57Å; F31-I135 HydrophobicContact CZ-CB 3.96Å; F31-I135 HydrophobicContact CZ-CD1 3.6Å; F31-I135 HydrophobicContact CZ-CG1 4.38Å; F31-I135 HydrophobicContact CZ-CG2 3.72Å
32N96.4Very high95.5Very high27 Ų2742 Ų4214%0.14418%0.183CC..Hα-helixtrans-73.7-43.5178.1-76.5-72.7000112.5Y28 T29 W30 Q34 A35 R36 L60 L120Y28-N32 WeakPolarHBondContact CE2-ND2 3.48Å; Y28-N32 WeakPolarHBondContact O-CB 3.14Å; Y28-N32 PolarHBondContact O-N 3.24Å; Y28-N32 VanDerWaalsContact O-N 3.12Å; Y28-N32 PolarHBondContact O-ND2 3.49Å; T29-N32 PolarHBondContact O-N 3.46Å; W30-N32 VanDerWaalsContact C-N 3.31Å; W30-N32 PolarHBondContact O-N 3.39Å; N32-Q34 PolarHBondContact O-N 2.81Å; N32-A35 CarbonylContact O-C 3.55Å; N32-A35 WeakPolarHBondContact O-CA 3.15Å; N32-A35 WeakPolarHBondContact O-CB 3.13Å; N32-A35 PolarHBondContact O-N 2.63Å; N32-R36 WeakPolarHBondContact O-CG 3.14Å; N32-R36 PolarHBondContact O-N 2.92Å; N32-L60 HydrophobicContact CB-CD1 3.72Å; N32-L60 HydrophobicContact CB-CD2 3.65Å; N32-L60 HydrophobicContact CB-CG 4.34Å; N32-L120 WeakPolarHBondContact OD1-CD2 3.5Å
33L95.4Very high95.4Very high1 Ų146.2 Ų46.21%0.00520%0.201CC..Hα-helixtrans-57.4-48.9173.8175.364.7000110.6T29 W30 A35 R36 K37 V56 L60 V217 F218T29-L33 WeakPolarHBondContact O-CB 3.47Å; T29-L33 PolarHBondContact O-N 2.89Å; W30-L33 HydrophobicContact CE3-CD2 4.47Å; W30-L33 HydrophobicContact CZ3-CD2 4.48Å; W30-L33 PolarHBondContact O-N 2.84Å; L33-A35 PolarHBondContact O-N 3.47Å; L33-R36 PolarHBondContact O-N 3.02Å; L33-R36 VanDerWaalsContact O-N 3.07Å; L33-K37 HydrophobicContact CD1-CD 4.23Å; L33-K37 HydrophobicContact CD1-CG 4.27Å; L33-K37 HydrophobicContact CG-CD 4.09Å; L33-K37 WeakPolarHBondContact O-CG 3.39Å; L33-K37 PolarHBondContact O-N 2.78Å; L33-V56 HydrophobicContact CD1-CB 4.29Å; L33-V56 HydrophobicContact CD1-CG1 3.7Å; L33-L60 HydrophobicContact CB-CD1 4.09Å; L33-V217 HydrophobicContact CD2-CG2 3.7Å; L33-F218 HydrophobicContact CD2-CE2 4.41Å
34Q95Very high95.2Very high18 Ų1851.6 Ų51.68%0.08423%0.225CC..Hα-helixtrans-65.8-17.4176.2-70-713.500113.4W30 N32 R38 W127 E143W30-Q34 HydrophobicContact CD2-CG 4.23Å; W30-Q34 HydrophobicContact CZ2-CG 4.24Å; W30-Q34 VanDerWaalsContact CZ2-NE2 3.29Å; W30-Q34 VanDerWaalsContact O-CB 3.31Å; W30-Q34 WeakPolarHBondContact O-CB 3.48Å; W30-Q34 VanDerWaalsContact O-CG 3.31Å; W30-Q34 WeakPolarHBondContact O-CG 3.29Å; W30-Q34 PolarHBondContact O-N 2.93Å; N32-Q34 PolarHBondContact O-N 2.81Å; Q34-R38 PolarHBondContact O-NE 3.24Å; Q34-R38 PolarHBondContact O-NH2 2.81Å; Q34-W127 HydrophobicContact CB-CZ2 4.31Å; Q34-E143 PolarHBondContact NE2-OE1 2.96Å
35A95.4Very high95.2Very high7 Ų755.8 Ų55.86%0.05825%0.249CC..Hα-helixtrans-84.1-39.416800000112.6F31 N32 L33 R38 K39 L120F31-A35 WeakPolarHBondContact O-CB 3.22Å; F31-A35 PolarHBondContact O-N 3.37Å; F31-A35 VanDerWaalsContact O-N 3.09Å; N32-A35 CarbonylContact O-C 3.55Å; N32-A35 WeakPolarHBondContact O-CA 3.15Å; N32-A35 WeakPolarHBondContact O-CB 3.13Å; N32-A35 PolarHBondContact O-N 2.63Å; L33-A35 PolarHBondContact O-N 3.47Å; A35-R38 PolarHBondContact O-N 2.66Å; A35-K39 WeakPolarHBondContact O-CG 3.39Å; A35-K39 PolarHBondContact O-N 2.81Å; A35-L120 HydrophobicContact CB-CD1 3.66Å
36R94.9Very high95.2Very high78 Ų7861.2 Ų61.229%0.29427%0.268SS..Hα-helixtrans-66.3-45.5176.6-61.8-146-163.9170.4-2.5111.8N32 L33 R38 K39 Y40 V56 E59N32-R36 WeakPolarHBondContact O-CG 3.14Å; N32-R36 PolarHBondContact O-N 2.92Å; L33-R36 PolarHBondContact O-N 3.02Å; L33-R36 VanDerWaalsContact O-N 3.07Å; R36-R38 VanDerWaalsContact C-N 3.28Å; R36-R38 PolarHBondContact O-N 2.76Å; R36-K39 PolarHBondContact O-N 3.44Å; R36-K39 VanDerWaalsContact O-N 3.07Å; R36-Y40 WeakPolarHBondContact O-CB 3.35Å; R36-Y40 PolarHBondContact O-N 2.84Å; R36-V56 HydrophobicContact CB-CG1 4.04Å; R36-V56 HydrophobicContact CG-CG1 4.13Å; R36-E59 IonicContact CZ-OE1 2.64Å; R36-E59 VanDerWaalsContact CZ-OE1 3.3Å; R36-E59 IonicContact CZ-OE2 3.3Å; R36-E59 IonicContact NH1-OE1 3.35Å; R36-E59 PolarHBondContact NH1-OE1 2.91Å; R36-E59 IonicContact NH1-OE2 2.78Å; R36-E59 PolarHBondContact NH1-OE2 3.25Å; R36-E59 IonicContact NH2-OE1 2.59Å; R36-E59 PolarHBondContact NH2-OE1 2.98Å; R36-E59 IonicContact NH2-OE2 3.95Å
37K93.7Very high95.1Very high53 Ų5370.9 Ų70.923%0.2330%0.304CS..Hα-helixtrans-50.9-45.2173.9-72.3175.262.4140.70112.5L33 F41 M48 E53L33-K37 HydrophobicContact CD1-CD 4.23Å; L33-K37 HydrophobicContact CD1-CG 4.27Å; L33-K37 HydrophobicContact CG-CD 4.09Å; L33-K37 WeakPolarHBondContact O-CG 3.39Å; L33-K37 PolarHBondContact O-N 2.78Å; K37-F41 PolarHBondContact O-N 2.8Å; K37-M48 HydrophobicContact CB-SD 4.35Å; K37-M48 HydrophobicContact CG-SD 3.89Å; K37-E53 HydrophobicContact CD-CG 4.36Å; K37-E53 WeakPolarHBondContact CD-OE1 3.23Å; K37-E53 WeakPolarHBondContact CD-OE2 3.44Å; K37-E53 VanDerWaalsContact CE-CD 3.48Å; K37-E53 WeakPolarHBondContact CE-OE1 3.39Å; K37-E53 WeakPolarHBondContact CE-OE2 3.34Å; K37-E53 HydrophobicContact CG-CG 4.22Å; K37-E53 IonicContact NZ-OE1 2.81Å; K37-E53 PolarHBondContact NZ-OE1 2.97Å; K37-E53 IonicContact NZ-OE2 3.05Å; K37-E53 PolarHBondContact NZ-OE2 3.21Å
38R93.1Very high94.8Very high70 Ų7071.8 Ų71.826%0.26431%0.309SS..Hα-helixtrans-71.3-39.9176.6-71.2-179.3-67.2115.9-3.4113.4Q34 A35 R36 F41 K42 K125Q34-R38 PolarHBondContact O-NE 3.24Å; Q34-R38 PolarHBondContact O-NH2 2.81Å; A35-R38 PolarHBondContact O-N 2.66Å; R36-R38 VanDerWaalsContact C-N 3.28Å; R36-R38 PolarHBondContact O-N 2.76Å; R38-F41 PolarHBondContact O-N 2.81Å; R38-K42 WeakPolarHBondContact O-CB 3.06Å; R38-K42 PolarHBondContact O-N 2.84Å; R38-K125 VanDerWaalsContact CZ-CB 3.49Å
39K93.9Very high94.6Very high111 Ų11173.1 Ų73.148%0.48332%0.32SS..Hα-helixtrans-66.4-37.3176.4-75.5-176.1178.2-174.40112.1A35 R36 K43 Q122A35-K39 WeakPolarHBondContact O-CG 3.39Å; A35-K39 PolarHBondContact O-N 2.81Å; R36-K39 PolarHBondContact O-N 3.44Å; R36-K39 VanDerWaalsContact O-N 3.07Å; K39-K43 WeakPolarHBondContact O-CB 3.35Å; K39-K43 PolarHBondContact O-N 3.37Å; K39-K43 VanDerWaalsContact O-N 3.16Å; K39-Q122 WeakPolarHBondContact CE-O 3.49Å; K39-Q122 PolarHBondContact NZ-O 3.37Å
40Y94.4Very high94.3Very high35 Ų3577.4 Ų77.414%0.13734%0.339CS..Hα-helixtrans-63.8-52.9172.9-174-74.6000110.8R36 K42 K43 H44 K46 M48 E52R36-Y40 WeakPolarHBondContact O-CB 3.35Å; R36-Y40 PolarHBondContact O-N 2.84Å; Y40-K42 VanDerWaalsContact C-N 3.26Å; Y40-K42 PolarHBondContact O-N 2.93Å; Y40-K43 PolarHBondContact O-N 3.48Å; Y40-H44 HydrophobicContact CD1-CB 4.25Å; Y40-H44 AromaticContact CD1-ND1 3.53Å; Y40-H44 AromaticContact CD2-CE1 3.16Å; Y40-H44 WeakPolarHBondContact CD2-CE1 3.39Å; Y40-H44 AromaticContact CD2-ND1 3.46Å; Y40-H44 WeakPolarHBondContact CD2-ND1 3.48Å; Y40-H44 HydrophobicContact CE1-CB 4Å; Y40-H44 AromaticContact CE1-ND1 3.62Å; Y40-H44 AromaticContact CE2-CE1 3.28Å; Y40-H44 WeakPolarHBondContact CE2-CE1 3.39Å; Y40-H44 AromaticContact CE2-ND1 3.58Å; Y40-H44 AromaticContact CG-CE1 3.88Å; Y40-H44 AromaticContact CG-ND1 3.44Å; Y40-H44 AromaticContact CZ-ND1 3.66Å; Y40-H44 PolarHBondContact O-N 2.99Å; Y40-H44 PolarHBondContact O-ND1 3.25Å; Y40-K46 WeakPolarHBondContact CD1-O 3.36Å; Y40-M48 HydrophobicContact CD1-CB 4.4Å; Y40-M48 HydrophobicContact CD1-CG 3.47Å; Y40-M48 VanDerWaalsContact CD1-CG 3.47Å; Y40-M48 HydrophobicContact CD2-CG 3.48Å; Y40-M48 VanDerWaalsContact CD2-CG 3.48Å; Y40-M48 HydrophobicContact CD2-SD 4.18Å; Y40-M48 HydrophobicContact CE1-CG 3.92Å; Y40-M48 HydrophobicContact CE2-CG 3.9Å; Y40-M48 HydrophobicContact CG-CG 3.24Å; Y40-M48 HydrophobicContact CG-SD 4.05Å; Y40-E52 WeakPolarHBondContact CE2-OE1 3.29Å; Y40-E52 VanDerWaalsContact OH-CD 3.27Å; Y40-E52 PolarHBondContact OH-OE1 3.17Å; Y40-E52 PolarHBondContact OH-OE2 3.18Å
41F93.9Very high94Very high109 Ų10980.6 Ų80.648%0.47836%0.358SS..Hα-helixtrans-56.3-40.7177.4-174.2-92.7000112.3K37 R38 K43 E45 K46 R47K37-F41 PolarHBondContact O-N 2.8Å; R38-F41 PolarHBondContact O-N 2.81Å; F41-K43 VanDerWaalsContact C-N 3.27Å; F41-K43 PolarHBondContact O-N 3.28Å; F41-E45 WeakPolarHBondContact CE2-O 3.43Å; F41-E45 WeakPolarHBondContact O-CA 3.41Å; F41-E45 PolarHBondContact O-N 3.31Å; F41-K46 WeakPolarHBondContact CA-O 3.27Å; F41-R47 HydrophobicContact CD2-CG 4.31Å
42K93.8Very high93.9Very high149 Ų14983.7 Ų83.765%0.64837%0.372SS*.Hα-helixtrans-67.5-20.7175.8-166.5-179.1-175.9-175.50114.1R38 Y40 D124R38-K42 WeakPolarHBondContact O-CB 3.06Å; R38-K42 PolarHBondContact O-N 2.84Å; Y40-K42 VanDerWaalsContact C-N 3.26Å; Y40-K42 PolarHBondContact O-N 2.93Å; K42-D124 IonicContact NZ-OD2 2.73Å; K42-D124 PolarHBondContact NZ-OD2 3.16Å
43K95.1Very high93.8Very high155 Ų15583.4 Ų83.467%0.67437%0.37SS*.Hα-helixtrans-95.7-34.6-179.8-176-174.5170.3-164.20112.7K39 Y40 F41K39-K43 WeakPolarHBondContact O-CB 3.35Å; K39-K43 PolarHBondContact O-N 3.37Å; K39-K43 VanDerWaalsContact O-N 3.16Å; Y40-K43 PolarHBondContact O-N 3.48Å; F41-K43 VanDerWaalsContact C-N 3.27Å; F41-K43 PolarHBondContact O-N 3.28Å
44H94.4Very high93.8Very high113 Ų11387.9 Ų87.952%0.52339%0.387SS..Hα-helixtrans-120-1.9-168.2-54.1116.4000113.9Y40 K46Y40-H44 HydrophobicContact CD1-CB 4.25Å; Y40-H44 AromaticContact CD1-ND1 3.53Å; Y40-H44 AromaticContact CD2-CE1 3.16Å; Y40-H44 WeakPolarHBondContact CD2-CE1 3.39Å; Y40-H44 AromaticContact CD2-ND1 3.46Å; Y40-H44 WeakPolarHBondContact CD2-ND1 3.48Å; Y40-H44 HydrophobicContact CE1-CB 4Å; Y40-H44 AromaticContact CE1-ND1 3.62Å; Y40-H44 AromaticContact CE2-CE1 3.28Å; Y40-H44 WeakPolarHBondContact CE2-CE1 3.39Å; Y40-H44 AromaticContact CE2-ND1 3.58Å; Y40-H44 AromaticContact CG-CE1 3.88Å; Y40-H44 AromaticContact CG-ND1 3.44Å; Y40-H44 AromaticContact CZ-ND1 3.66Å; Y40-H44 PolarHBondContact O-N 2.99Å; Y40-H44 PolarHBondContact O-ND1 3.25Å; H44-K46 PolarHBondContact O-N 3.03Å
45E96.1Very high93.8Very high173 Ų17389.8 Ų89.881%0.80841%0.406SS*.SBendtrans54.87.6-175.7-55.3-164.7134.600115.4F41F41-E45 WeakPolarHBondContact CE2-O 3.43Å; F41-E45 WeakPolarHBondContact O-CA 3.41Å; F41-E45 PolarHBondContact O-N 3.31Å
46K95Very high93.8Very high136 Ų13690.4 Ų90.459%0.59141%0.409SS*.SBendtrans-118.1148.1-177.4-166.4-168.2173.8-173.70109.5Y40 F41 H44Y40-K46 WeakPolarHBondContact CD1-O 3.36Å; F41-K46 WeakPolarHBondContact CA-O 3.27Å; H44-K46 PolarHBondContact O-N 3.03Å
47R92.1Very high93.8Very high205 Ų20587 Ų8777%0.77440%0.396SS*.PPolyproline II helixtrans-67.9147.6166.7-67.2178.6179.4158-0.2109.5F41F41-R47 HydrophobicContact CD2-CG 4.31Å
48M91.4Very high93.9Very high18 Ų1888.2 Ų88.29%0.08941%0.405CS..PPolyproline II helixtrans-59145.8169.1-70.6173.567.200110K37 Y40 E52 E53 V56K37-M48 HydrophobicContact CB-SD 4.35Å; K37-M48 HydrophobicContact CG-SD 3.89Å; Y40-M48 HydrophobicContact CD1-CB 4.4Å; Y40-M48 HydrophobicContact CD1-CG 3.47Å; Y40-M48 VanDerWaalsContact CD1-CG 3.47Å; Y40-M48 HydrophobicContact CD2-CG 3.48Å; Y40-M48 VanDerWaalsContact CD2-CG 3.48Å; Y40-M48 HydrophobicContact CD2-SD 4.18Å; Y40-M48 HydrophobicContact CE1-CG 3.92Å; Y40-M48 HydrophobicContact CE2-CG 3.9Å; Y40-M48 HydrophobicContact CG-CG 3.24Å; Y40-M48 HydrophobicContact CG-SD 4.05Å; M48-E52 HydrophobicContact CB-CB 4.28Å; M48-E52 VanDerWaalsContact CE-C 3.47Å; M48-E52 HydrophobicContact CE-CB 3.83Å; M48-E52 WeakPolarHBondContact CE-O 3.42Å; M48-E53 HydrophobicContact CB-CG 3.42Å; M48-E53 VanDerWaalsContact CB-CG 3.42Å; M48-E53 HydrophobicContact CE-CB 4.38Å; M48-E53 HydrophobicContact CE-CG 3.9Å; M48-E53 HydrophobicContact CG-CG 4.32Å; M48-E53 HydrophobicContact SD-CG 4.13Å; M48-V56 HydrophobicContact CE-CB 4.17Å; M48-V56 HydrophobicContact CE-CG2 3.75Å
49S92.5Very high94.1Very high43 Ų4390 Ų9030%0.30142%0.417SS..PPolyproline II helixtrans-70.1160.316762.50000111.2D51 E52 E53S49-D51 PolarHBondContact O-N 3.46Å; S49-E52 VanDerWaalsContact CB-OE2 3.28Å; S49-E52 WeakPolarHBondContact CB-OE2 3.4Å; S49-E52 PolarHBondContact N-OE2 2.98Å; S49-E52 PolarHBondContact O-N 3.46Å; S49-E52 VanDerWaalsContact OG-CD 3.29Å; S49-E52 VanDerWaalsContact OG-CG 3.27Å; S49-E52 WeakPolarHBondContact OG-CG 3.24Å; S49-E52 PolarHBondContact OG-N 2.91Å; S49-E52 PolarHBondContact OG-OE2 3.37Å; S49-E53 WeakPolarHBondContact O-CG 3.38Å; S49-E53 PolarHBondContact O-N 2.78Å
50K89.6Confident94.2Very high93 Ų9384.8 Ų84.840%0.40439%0.394SS..Hα-helixtrans-59.3-30.6177.6-66-167.8-175.5-175.10112.2R54 K214K50-R54 WeakPolarHBondContact O-CB 3.49Å; K50-R54 WeakPolarHBondContact O-CG 3.41Å; K50-R54 PolarHBondContact O-N 3.46Å; K50-K214 PolarHBondContact NZ-O 3.35Å
51D91.6Very high94.2Very high97 Ų9785.7 Ų85.752%0.51940%0.401SS..Hα-helixtrans-74.9-42.8179.4-53.2-71.2000112.1S49 R54 A55S49-D51 PolarHBondContact O-N 3.46Å; D51-R54 PolarHBondContact O-N 3.47Å; D51-R54 IonicContact OD1-CZ 3.68Å; D51-R54 IonicContact OD1-NH1 3.79Å; D51-R54 PolarHBondContact OD1-NH1 2.73Å; D51-R54 IonicContact OD1-NH2 2.76Å; D51-R54 PolarHBondContact OD1-NH2 2.75Å; D51-R54 IonicContact OD2-NH2 3.52Å; D51-A55 WeakPolarHBondContact O-CB 3.41Å; D51-A55 PolarHBondContact O-N 2.83Å
52E94.6Very high94.2Very high67 Ų6783.6 Ų83.631%0.31341%0.41SS..Hα-helixtrans-62.8-40.3171-70.3163.9118.900111.9Y40 M48 S49 V56Y40-E52 WeakPolarHBondContact CE2-OE1 3.29Å; Y40-E52 VanDerWaalsContact OH-CD 3.27Å; Y40-E52 PolarHBondContact OH-OE1 3.17Å; Y40-E52 PolarHBondContact OH-OE2 3.18Å; M48-E52 HydrophobicContact CB-CB 4.28Å; M48-E52 VanDerWaalsContact CE-C 3.47Å; M48-E52 HydrophobicContact CE-CB 3.83Å; M48-E52 WeakPolarHBondContact CE-O 3.42Å; S49-E52 VanDerWaalsContact CB-OE2 3.28Å; S49-E52 WeakPolarHBondContact CB-OE2 3.4Å; S49-E52 PolarHBondContact N-OE2 2.98Å; S49-E52 PolarHBondContact O-N 3.46Å; S49-E52 VanDerWaalsContact OG-CD 3.29Å; S49-E52 VanDerWaalsContact OG-CG 3.27Å; S49-E52 WeakPolarHBondContact OG-CG 3.24Å; S49-E52 PolarHBondContact OG-N 2.91Å; S49-E52 PolarHBondContact OG-OE2 3.37Å; E52-V56 WeakPolarHBondContact O-CB 3.32Å; E52-V56 WeakPolarHBondContact O-CG2 3.46Å; E52-V56 PolarHBondContact O-N 3.29Å
53E94.8Very high94.3Very high20 Ų2079.5 Ų79.59%0.09339%0.393CS..Hα-helixtrans-69.8-33.8177.1-64.5-164.8-179.200112.4K37 M48 S49 K57 V217K37-E53 HydrophobicContact CD-CG 4.36Å; K37-E53 WeakPolarHBondContact CD-OE1 3.23Å; K37-E53 WeakPolarHBondContact CD-OE2 3.44Å; K37-E53 VanDerWaalsContact CE-CD 3.48Å; K37-E53 WeakPolarHBondContact CE-OE1 3.39Å; K37-E53 WeakPolarHBondContact CE-OE2 3.34Å; K37-E53 HydrophobicContact CG-CG 4.22Å; K37-E53 IonicContact NZ-OE1 2.81Å; K37-E53 PolarHBondContact NZ-OE1 2.97Å; K37-E53 IonicContact NZ-OE2 3.05Å; K37-E53 PolarHBondContact NZ-OE2 3.21Å; M48-E53 HydrophobicContact CB-CG 3.42Å; M48-E53 VanDerWaalsContact CB-CG 3.42Å; M48-E53 HydrophobicContact CE-CB 4.38Å; M48-E53 HydrophobicContact CE-CG 3.9Å; M48-E53 HydrophobicContact CG-CG 4.32Å; M48-E53 HydrophobicContact SD-CG 4.13Å; S49-E53 WeakPolarHBondContact O-CG 3.38Å; S49-E53 PolarHBondContact O-N 2.78Å; E53-K57 WeakPolarHBondContact O-CB 3.4Å; E53-K57 PolarHBondContact O-N 2.64Å; E53-V217 HydrophobicContact CB-CG1 3.43Å; E53-V217 VanDerWaalsContact CB-CG1 3.43Å
54R93.6Very high94.3Very high95 Ų9578.8 Ų78.836%0.35839%0.39SS..Hα-helixtrans-67.5-48.7171.9-85.4-173.3-92.292.40.7111.7K50 D51 V56 K57 D58 V217K50-R54 WeakPolarHBondContact O-CB 3.49Å; K50-R54 WeakPolarHBondContact O-CG 3.41Å; K50-R54 PolarHBondContact O-N 3.46Å; D51-R54 PolarHBondContact O-N 3.47Å; D51-R54 IonicContact OD1-CZ 3.68Å; D51-R54 IonicContact OD1-NH1 3.79Å; D51-R54 PolarHBondContact OD1-NH1 2.73Å; D51-R54 IonicContact OD1-NH2 2.76Å; D51-R54 PolarHBondContact OD1-NH2 2.75Å; D51-R54 IonicContact OD2-NH2 3.52Å; R54-V56 VanDerWaalsContact C-N 3.26Å; R54-V56 PolarHBondContact O-N 2.72Å; R54-K57 WeakPolarHBondContact O-CA 3.34Å; R54-K57 VanDerWaalsContact O-CB 3.27Å; R54-K57 WeakPolarHBondContact O-CB 3.34Å; R54-K57 PolarHBondContact O-N 3.22Å; R54-D58 VanDerWaalsContact O-CG 3.28Å; R54-D58 PolarHBondContact O-N 3.11Å; R54-D58 VanDerWaalsContact O-OD2 3.1Å; R54-V217 HydrophobicContact CG-CB 3.92Å; R54-V217 HydrophobicContact CG-CG1 4.03Å
55A95.3Very high94.3Very high59 Ų5975 Ų7549%0.48838%0.376SS..Hα-helixtrans-55.6-41.4175.800000112.3D51 D58 E59D51-A55 WeakPolarHBondContact O-CB 3.41Å; D51-A55 PolarHBondContact O-N 2.83Å; A55-D58 PolarHBondContact O-N 3.38Å; A55-E59 WeakPolarHBondContact O-CB 3.36Å; A55-E59 PolarHBondContact O-N 2.66Å
56V96.6Very high94.3Very high19 Ų1972.2 Ų72.212%0.11536%0.363CS..Hα-helixtrans-69-36.5174166.50000113L33 R36 M48 E52 R54 D58 L60L33-V56 HydrophobicContact CD1-CB 4.29Å; L33-V56 HydrophobicContact CD1-CG1 3.7Å; R36-V56 HydrophobicContact CB-CG1 4.04Å; R36-V56 HydrophobicContact CG-CG1 4.13Å; M48-V56 HydrophobicContact CE-CB 4.17Å; M48-V56 HydrophobicContact CE-CG2 3.75Å; E52-V56 WeakPolarHBondContact O-CB 3.32Å; E52-V56 WeakPolarHBondContact O-CG2 3.46Å; E52-V56 PolarHBondContact O-N 3.29Å; R54-V56 VanDerWaalsContact C-N 3.26Å; R54-V56 PolarHBondContact O-N 2.72Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-L60 HydrophobicContact CG1-CD1 3.8Å; V56-L60 HydrophobicContact CG1-CG 4.45Å; V56-L60 WeakPolarHBondContact O-CB 3.19Å; V56-L60 WeakPolarHBondContact O-CD1 3.47Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 2.99Å; V56-L60 VanDerWaalsContact O-N 3.13Å
57K95.3Very high94.3Very high7 Ų768.6 Ų68.63%0.0335%0.352CS..Hα-helixtrans-58.2-49.2172.2-177.9-157.170.5176.20110T29 E53 R54 L60 L61 V217 F218 E222T29-K57 HydrophobicContact CG2-CG 4.46Å; E53-K57 WeakPolarHBondContact O-CB 3.4Å; E53-K57 PolarHBondContact O-N 2.64Å; R54-K57 WeakPolarHBondContact O-CA 3.34Å; R54-K57 VanDerWaalsContact O-CB 3.27Å; R54-K57 WeakPolarHBondContact O-CB 3.34Å; R54-K57 PolarHBondContact O-N 3.22Å; K57-L60 PolarHBondContact O-N 2.98Å; K57-L61 HydrophobicContact CD-CD1 4.2Å; K57-L61 HydrophobicContact CG-CD1 3.92Å; K57-L61 HydrophobicContact CG-CG 4.5Å; K57-L61 VanDerWaalsContact O-CG 3.31Å; K57-L61 WeakPolarHBondContact O-CG 3.34Å; K57-L61 PolarHBondContact O-N 3.22Å; K57-V217 HydrophobicContact CB-CG2 4.11Å; K57-V217 HydrophobicContact CD-CB 4.21Å; K57-V217 HydrophobicContact CD-CG2 3.96Å; K57-V217 WeakPolarHBondContact CD-O 3.31Å; K57-V217 HydrophobicContact CG-CG2 4.17Å; K57-V217 PolarHBondContact NZ-O 3.27Å; K57-F218 HydrophobicContact CD-CD1 3.77Å; K57-F218 HydrophobicContact CD-CD2 4.31Å; K57-F218 HydrophobicContact CD-CE1 3.72Å; K57-F218 HydrophobicContact CD-CE2 4.26Å; K57-F218 HydrophobicContact CD-CG 4.07Å; K57-F218 HydrophobicContact CD-CZ 3.98Å; K57-F218 HydrophobicContact CG-CD1 4.38Å; K57-F218 HydrophobicContact CG-CE1 3.82Å; K57-F218 HydrophobicContact CG-CE2 4.18Å; K57-F218 HydrophobicContact CG-CZ 3.71Å; K57-E222 IonicContact NZ-OE1 2.67Å; K57-E222 PolarHBondContact NZ-OE1 3.43Å; K57-E222 IonicContact NZ-OE2 2.69Å; K57-E222 PolarHBondContact NZ-OE2 3.27Å
58D95.1Very high94.5Very high78 Ų7860.3 Ų60.342%0.41732%0.321SS..Hα-helixtrans-70-39.8-173.4-61.1-33.4000111.7R54 A55 V56 L60 L61 G62R54-D58 VanDerWaalsContact O-CG 3.28Å; R54-D58 PolarHBondContact O-N 3.11Å; R54-D58 VanDerWaalsContact O-OD2 3.1Å; A55-D58 PolarHBondContact O-N 3.38Å; V56-D58 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.23Å; D58-L61 PolarHBondContact O-N 2.96Å; D58-G62 PolarHBondContact O-N 3Å
59E97.1Very high94.7Very high108 Ų10861.6 Ų61.651%0.50533%0.327SS..Hα-helixtrans-58.7-45.4170.5-167.9-157.113100111.9R36 A55 L61 G62 E63R36-E59 IonicContact CZ-OE1 2.64Å; R36-E59 VanDerWaalsContact CZ-OE1 3.3Å; R36-E59 IonicContact CZ-OE2 3.3Å; R36-E59 IonicContact NH1-OE1 3.35Å; R36-E59 PolarHBondContact NH1-OE1 2.91Å; R36-E59 IonicContact NH1-OE2 2.78Å; R36-E59 PolarHBondContact NH1-OE2 3.25Å; R36-E59 IonicContact NH2-OE1 2.59Å; R36-E59 PolarHBondContact NH2-OE1 2.98Å; R36-E59 IonicContact NH2-OE2 3.95Å; A55-E59 WeakPolarHBondContact O-CB 3.36Å; A55-E59 PolarHBondContact O-N 2.66Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 3.27Å; E59-G62 PolarHBondContact O-N 2.79Å; E59-E63 PolarHBondContact O-N 3.09Å
60L96.1Very high94.9Very high1 Ų163.9 Ų63.91%0.00533%0.332CS..Hα-helixtrans-71.9-22.5178.4-69.6170.9000113.2Y28 T29 N32 L33 V56 K57 D58 K68Y28-L60 HydrophobicContact CE1-CD2 3.87Å; T29-L60 HydrophobicContact CG2-CB 3.89Å; N32-L60 HydrophobicContact CB-CD1 3.72Å; N32-L60 HydrophobicContact CB-CD2 3.65Å; N32-L60 HydrophobicContact CB-CG 4.34Å; L33-L60 HydrophobicContact CB-CD1 4.09Å; V56-L60 HydrophobicContact CG1-CD1 3.8Å; V56-L60 HydrophobicContact CG1-CG 4.45Å; V56-L60 WeakPolarHBondContact O-CB 3.19Å; V56-L60 WeakPolarHBondContact O-CD1 3.47Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 2.99Å; V56-L60 VanDerWaalsContact O-N 3.13Å; K57-L60 PolarHBondContact O-N 2.98Å; D58-L60 PolarHBondContact O-N 3.23Å; L60-K68 WeakPolarHBondContact O-CE 3.45Å
61L93.9Very high95.2Very high54 Ų5460.6 Ų60.628%0.28332%0.317SS..Hα-helixtrans-78.4-36169.1-72.3170.9000111.6T29 K57 D58 E59 K68 F218 V226T29-L61 HydrophobicContact CG2-CD2 4.15Å; T29-L61 HydrophobicContact CG2-CG 4.1Å; K57-L61 HydrophobicContact CD-CD1 4.2Å; K57-L61 HydrophobicContact CG-CD1 3.92Å; K57-L61 HydrophobicContact CG-CG 4.5Å; K57-L61 VanDerWaalsContact O-CG 3.31Å; K57-L61 WeakPolarHBondContact O-CG 3.34Å; K57-L61 PolarHBondContact O-N 3.22Å; D58-L61 PolarHBondContact O-N 2.96Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 3.27Å; L61-K68 PolarHBondContact O-NZ 3.02Å; L61-F218 HydrophobicContact CD1-CE1 4.41Å; L61-V226 HydrophobicContact CD2-CG1 4.14Å
62G94.1Very high95.5Very high66 Ų6656 Ų5668%0.6829%0.293SS*.Hα-helixtrans-75.1-19.4174.600000115.3D58 E59D58-G62 PolarHBondContact O-N 3Å; E59-G62 PolarHBondContact O-N 2.79Å
63E96.3Very high95.6Very high62 Ų6253.6 Ų53.629%0.2928%0.283SS..SBendtrans-50.3143.2177.8173.467-73.400113Y28 E59 V67 K68Y28-E63 HydrophobicContact CE1-CB 4.28Å; Y28-E63 HydrophobicContact CE1-CG 4.01Å; E59-E63 PolarHBondContact O-N 3.09Å; E63-V67 HydrophobicContact CG-CB 4.05Å; E63-V67 HydrophobicContact CG-CG1 4.04Å; E63-V67 WeakPolarHBondContact OE2-CG1 3.4Å; E63-K68 HydrophobicContact CG-CG 4.39Å; E63-K68 WeakPolarHBondContact O-CE 3.31Å; E63-K68 PolarHBondContact O-NZ 2.86Å
64K95.6Very high95.7Very high141 Ų14158.9 Ų58.961%0.61330%0.302SS*.  trans-61.4139.1-171.6-67.3-170177.8-172.90112.6E66 V67 K68K64-E66 WeakPolarHBondContact CB-OE2 3.14Å; K64-E66 PolarHBondContact O-N 2.97Å; K64-V67 HydrophobicContact CB-CG2 4.12Å; K64-V67 WeakPolarHBondContact O-CB 3.32Å; K64-V67 PolarHBondContact O-N 3.1Å; K64-K68 PolarHBondContact O-N 3.03Å
65P94.6Very high95.8Very high33 Ų3354.4 Ų54.421%0.21429%0.285CS..Hα-helixtrans-65.1-27.6-174.827.6-33.8000112.6V67 K68 Q69 A235P65-V67 VanDerWaalsContact C-N 3.33Å; P65-V67 PolarHBondContact O-N 3.21Å; P65-K68 PolarHBondContact O-N 3.27Å; P65-Q69 WeakPolarHBondContact O-CG 3.5Å; P65-Q69 PolarHBondContact O-N 3.07Å; P65-A235 HydrophobicContact CB-CB 4.11Å; P65-A235 HydrophobicContact CG-CB 4.4Å
66E95.3Very high96Very high114 Ų11451.6 Ų51.653%0.53326%0.262SS..Hα-helixtrans-65.2-36.8173.9-54.770.9-151.500111.4K64 K70K64-E66 WeakPolarHBondContact CB-OE2 3.14Å; K64-E66 PolarHBondContact O-N 2.97Å; E66-K70 WeakPolarHBondContact O-CB 3.48Å; E66-K70 PolarHBondContact O-N 3.04Å
67V95.8Very high96Very high61 Ų6150.8 Ų50.837%0.3726%0.258SS..Hα-helixtrans-68-42.3176.41790000110.2E63 K64 P65 K70 W71E63-V67 HydrophobicContact CG-CB 4.05Å; E63-V67 HydrophobicContact CG-CG1 4.04Å; E63-V67 WeakPolarHBondContact OE2-CG1 3.4Å; K64-V67 HydrophobicContact CB-CG2 4.12Å; K64-V67 WeakPolarHBondContact O-CB 3.32Å; K64-V67 PolarHBondContact O-N 3.1Å; P65-V67 VanDerWaalsContact C-N 3.33Å; P65-V67 PolarHBondContact O-N 3.21Å; V67-K70 PolarHBondContact O-N 3.01Å; V67-W71 WeakPolarHBondContact O-CB 3.48Å; V67-W71 PolarHBondContact O-N 3.18Å
68K95.9Very high96Very high30 Ų3053.4 Ų53.413%0.1327%0.269CS..Hα-helixtrans-61.3-48.2175.5-66.4174.8175148.50111.5Y28 L60 L61 E63 K64 P65 W71 A72 I231Y28-K68 HydrophobicContact CD1-CD 4.36Å; Y28-K68 HydrophobicContact CD1-CG 3.77Å; Y28-K68 HydrophobicContact CD2-CB 4.22Å; Y28-K68 HydrophobicContact CD2-CG 3.99Å; Y28-K68 HydrophobicContact CE1-CG 4.12Å; Y28-K68 HydrophobicContact CE2-CG 4.29Å; Y28-K68 HydrophobicContact CG-CB 4.24Å; Y28-K68 HydrophobicContact CG-CG 3.74Å; L60-K68 WeakPolarHBondContact O-CE 3.45Å; L61-K68 PolarHBondContact O-NZ 3.02Å; E63-K68 HydrophobicContact CG-CG 4.39Å; E63-K68 WeakPolarHBondContact O-CE 3.31Å; E63-K68 PolarHBondContact O-NZ 2.86Å; K64-K68 PolarHBondContact O-N 3.03Å; P65-K68 PolarHBondContact O-N 3.27Å; K68-W71 WeakPolarHBondContact O-CB 3.25Å; K68-W71 PolarHBondContact O-N 2.89Å; K68-A72 PolarHBondContact O-N 3.17Å; K68-I231 HydrophobicContact CB-CD1 3.96Å; K68-I231 HydrophobicContact CB-CG1 3.91Å; K68-I231 VanDerWaalsContact O-CD1 3.31Å; K68-I231 WeakPolarHBondContact O-CD1 3.47Å
69Q96Very high96.1Very high46 Ų4649.7 Ų49.722%0.21525%0.249CC..Hα-helixtrans-65.8-43.6176-73.1-173.226.500113L20 P65 W71 A72 S73L20-Q69 HydrophobicContact CD2-CB 4.45Å; L20-Q69 HydrophobicContact CD2-CG 4.46Å; P65-Q69 WeakPolarHBondContact O-CG 3.5Å; P65-Q69 PolarHBondContact O-N 3.07Å; Q69-W71 PolarHBondContact O-N 2.74Å; Q69-A72 PolarHBondContact O-N 3.39Å; Q69-S73 WeakPolarHBondContact O-CB 3.36Å; Q69-S73 PolarHBondContact O-N 2.94Å
70K95.3Very high96.1Very high91 Ų9147.5 Ų47.540%0.39624%0.236SC..Hα-helixtrans-64.5-28.3177.9-159.7173.1-165.482.90111.5E11 E66 V67 R74E11-K70 WeakPolarHBondContact OE1-CE 3.35Å; E11-K70 IonicContact OE1-NZ 2.72Å; E11-K70 PolarHBondContact OE1-NZ 2.96Å; E11-K70 IonicContact OE2-NZ 3.47Å; E66-K70 WeakPolarHBondContact O-CB 3.48Å; E66-K70 PolarHBondContact O-N 3.04Å; V67-K70 PolarHBondContact O-N 3.01Å; K70-R74 WeakPolarHBondContact O-CB 3.21Å; K70-R74 WeakPolarHBondContact O-CD 3.25Å; K70-R74 WeakPolarHBondContact O-CG 3.49Å; K70-R74 PolarHBondContact O-N 3.41Å
71W96.8Very high96.1Very high24 Ų2452 Ų529%0.09126%0.256CS..Hα-helixtrans-68-49.9166.2166.581.3000112.4A27 Y28 F31 V67 K68 Q69 R74 L75 C119 L136 I231A27-W71 HydrophobicContact CB-CH2 3.94Å; A27-W71 HydrophobicContact CB-CZ3 4.29Å; Y28-W71 HydrophobicContact CD2-CB 3.87Å; Y28-W71 AromaticContact CD2-CD2 3.73Å; Y28-W71 HydrophobicContact CD2-CD2 3.73Å; Y28-W71 AromaticContact CD2-CE3 3.72Å; Y28-W71 HydrophobicContact CD2-CE3 3.72Å; Y28-W71 AromaticContact CD2-CG 3.79Å; Y28-W71 HydrophobicContact CD2-CG 3.79Å; Y28-W71 HydrophobicContact CE2-CB 3.99Å; Y28-W71 HydrophobicContact CE2-CG 4.16Å; Y28-W71 HydrophobicContact CG-CE3 4.25Å; F31-W71 HydrophobicContact CB-CZ2 4.35Å; F31-W71 AromaticContact CD2-CH2 3.75Å; F31-W71 HydrophobicContact CD2-CH2 3.75Å; F31-W71 AromaticContact CD2-CZ2 3.54Å; F31-W71 HydrophobicContact CD2-CZ2 3.54Å; F31-W71 HydrophobicContact CE2-CH2 4.29Å; F31-W71 HydrophobicContact CE2-CZ2 4.28Å; F31-W71 HydrophobicContact CG-CZ2 4.32Å; V67-W71 WeakPolarHBondContact O-CB 3.48Å; V67-W71 PolarHBondContact O-N 3.18Å; K68-W71 WeakPolarHBondContact O-CB 3.25Å; K68-W71 PolarHBondContact O-N 2.89Å; Q69-W71 PolarHBondContact O-N 2.74Å; W71-R74 PolarHBondContact O-N 3.4Å; W71-L75 HydrophobicContact CH2-CD2 3.76Å; W71-L75 HydrophobicContact CZ2-CD2 3.35Å; W71-L75 PolarHBondContact O-N 3Å; W71-C119 PolarHBondContact NE1-O 2.9Å; W71-L136 HydrophobicContact CH2-CD2 3.98Å; W71-L136 HydrophobicContact CZ3-CD2 4.45Å; W71-I231 HydrophobicContact CE3-CD1 3.92Å; W71-I231 HydrophobicContact CZ3-CD1 3.94Å
72A97.4Very high96.2Very high1 Ų150.8 Ų50.81%0.00825%0.249CC..Hα-helixtrans-65.6-43-177.500000112.8L20 V23 K68 Q69 R74 L75 L76 I231L20-A72 HydrophobicContact CD1-CB 3.67Å; V23-A72 HydrophobicContact CG1-CB 4.18Å; K68-A72 PolarHBondContact O-N 3.17Å; Q69-A72 PolarHBondContact O-N 3.39Å; A72-R74 PolarHBondContact O-N 3.25Å; A72-L75 CarbonylContact O-C 3.59Å; A72-L75 WeakPolarHBondContact O-CA 3.25Å; A72-L75 WeakPolarHBondContact O-CB 3.38Å; A72-L75 PolarHBondContact O-N 3.19Å; A72-L76 WeakPolarHBondContact O-CG 3.11Å; A72-L76 PolarHBondContact O-N 3.07Å; A72-I231 HydrophobicContact CB-CD1 3.69Å; A72-I231 HydrophobicContact CB-CG2 4.21Å
73S96.9Very high96.4Very high16 Ų1647.6 Ų47.611%0.11222%0.217CC..Hα-helixtrans-54.1-50.3171.8159.40000111.2Q69 L75 L76 A77Q69-S73 WeakPolarHBondContact O-CB 3.36Å; Q69-S73 PolarHBondContact O-N 2.94Å; S73-L75 PolarHBondContact O-N 3.34Å; S73-L76 PolarHBondContact O-N 2.88Å; S73-A77 WeakPolarHBondContact O-CB 3.42Å; S73-A77 PolarHBondContact O-N 3.31Å
74R96Very high96.5Very high130 Ų13048.7 Ų48.749%0.49122%0.218SC..Hα-helixtrans-61.4-27.2174.7-72.5171176.1169.8-5.3113.5K70 W71 A72 K78K70-R74 WeakPolarHBondContact O-CB 3.21Å; K70-R74 WeakPolarHBondContact O-CD 3.25Å; K70-R74 WeakPolarHBondContact O-CG 3.49Å; K70-R74 PolarHBondContact O-N 3.41Å; W71-R74 PolarHBondContact O-N 3.4Å; A72-R74 PolarHBondContact O-N 3.25Å; R74-K78 WeakPolarHBondContact O-CE 3.49Å
75L97.6Very high96.5Very high1 Ų148.7 Ų48.71%0.00522%0.22CC..Hα-helixtrans-80.3-41.6175.3-175.351.7000112.1W71 A72 S73 A77 K78 L79 I117 C119 V132 L136W71-L75 HydrophobicContact CH2-CD2 3.76Å; W71-L75 HydrophobicContact CZ2-CD2 3.35Å; W71-L75 PolarHBondContact O-N 3Å; A72-L75 CarbonylContact O-C 3.59Å; A72-L75 WeakPolarHBondContact O-CA 3.25Å; A72-L75 WeakPolarHBondContact O-CB 3.38Å; A72-L75 PolarHBondContact O-N 3.19Å; S73-L75 PolarHBondContact O-N 3.34Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.04Å; L75-K78 WeakPolarHBondContact O-CB 3.16Å; L75-K78 PolarHBondContact O-N 3.07Å; L75-K78 VanDerWaalsContact O-N 3.15Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 PolarHBondContact O-N 2.91Å; L75-I117 HydrophobicContact CD1-CD1 3.95Å; L75-C119 HydrophobicContact CD2-CB 4.41Å; L75-V132 HydrophobicContact CD2-CG1 4.39Å; L75-L136 HydrophobicContact CD2-CD1 4.2Å; L75-L136 HydrophobicContact CD2-CD2 3.98Å; L75-L136 HydrophobicContact CG-CD1 4.37Å
76L97.9Very high96.7Very high1 Ų152.3 Ų52.31%0.00523%0.234CC..Hα-helixtrans-61.8-36.7172.2-68.5171.1000111.6I16 L19 L20 V23 A72 S73 K78 L79 R80 F137I16-L76 HydrophobicContact CB-CB 4.4Å; I16-L76 HydrophobicContact CG1-CB 4.07Å; I16-L76 HydrophobicContact CG2-CB 4.07Å; I16-L76 HydrophobicContact CG2-CD1 4.07Å; L19-L76 HydrophobicContact CB-CD1 3.99Å; L19-L76 HydrophobicContact CB-CD2 3.95Å; L19-L76 HydrophobicContact CD1-CD2 4.2Å; L20-L76 HydrophobicContact CB-CD1 4.2Å; L20-L76 HydrophobicContact CD1-CD1 4.34Å; V23-L76 HydrophobicContact CG2-CD1 4.08Å; V23-L76 HydrophobicContact CG2-CD2 4.06Å; V23-L76 HydrophobicContact CG2-CG 4.3Å; A72-L76 WeakPolarHBondContact O-CG 3.11Å; A72-L76 PolarHBondContact O-N 3.07Å; S73-L76 PolarHBondContact O-N 2.88Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.94Å; L76-L79 HydrophobicContact CD2-CD2 3.98Å; L76-L79 WeakPolarHBondContact O-CB 3.2Å; L76-L79 PolarHBondContact O-N 3.23Å; L76-R80 WeakPolarHBondContact O-CB 3.41Å; L76-R80 PolarHBondContact O-N 3.08Å; L76-F137 HydrophobicContact CD2-CZ 3.99Å
77A96.6Very high96.8Very high2 Ų249.7 Ų49.72%0.01722%0.22CC..Hα-helixtrans-60.2-36.8172.900000113.3D10 I16 S73 L75 K81D10-A77 HydrophobicContact CB-CB 4.18Å; I16-A77 HydrophobicContact CD1-CB 3.73Å; S73-A77 WeakPolarHBondContact O-CB 3.42Å; S73-A77 PolarHBondContact O-N 3.31Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.04Å; A77-K81 WeakPolarHBondContact O-CD 3.39Å; A77-K81 WeakPolarHBondContact O-CE 3.47Å; A77-K81 WeakPolarHBondContact O-CG 3.36Å
78K95.6Very high96.9Very high61 Ų6148.6 Ų48.627%0.26521%0.209SC..Hα-helixtrans-73.4-48.4171.7-69.4172.8-69.7-178.80110.6R74 L75 L76 R80 K81 D82 D118 C119R74-K78 WeakPolarHBondContact O-CE 3.49Å; L75-K78 WeakPolarHBondContact O-CB 3.16Å; L75-K78 PolarHBondContact O-N 3.07Å; L75-K78 VanDerWaalsContact O-N 3.15Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.94Å; K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 PolarHBondContact O-N 2.81Å; K78-K81 WeakPolarHBondContact O-CA 3.34Å; K78-K81 WeakPolarHBondContact O-CB 3.43Å; K78-K81 PolarHBondContact O-N 3.21Å; K78-D82 PolarHBondContact O-N 2.93Å; K78-D82 VanDerWaalsContact O-N 3.08Å; K78-D118 PolarHBondContact NZ-O 3.16Å; K78-C119 PolarHBondContact NZ-O 2.96Å
79L97.3Very high97Very high0 Ų054.5 Ų54.50%024%0.237CC..Hα-helixtrans-52.7-42.7178.9-170.761.8000112.3L75 L76 K81 D82 I83 F91 L129 M133 L136 F137L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 PolarHBondContact O-N 2.91Å; L76-L79 HydrophobicContact CD2-CD2 3.98Å; L76-L79 WeakPolarHBondContact O-CB 3.2Å; L76-L79 PolarHBondContact O-N 3.23Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.47Å; L79-D82 PolarHBondContact O-N 3.48Å; L79-I83 HydrophobicContact CD1-CD1 4.36Å; L79-I83 HydrophobicContact CG-CD1 3.94Å; L79-I83 WeakPolarHBondContact O-CG1 3.39Å; L79-I83 PolarHBondContact O-N 2.94Å; L79-F91 HydrophobicContact CD2-CE1 4.07Å; L79-F91 HydrophobicContact CD2-CZ 4.2Å; L79-L129 HydrophobicContact CD1-CD1 3.56Å; L79-L129 HydrophobicContact CD1-CG 4.32Å; L79-M133 HydrophobicContact CD1-CE 3.73Å; L79-M133 HydrophobicContact CD1-SD 3.96Å; L79-M133 HydrophobicContact CD2-CE 4.22Å; L79-M133 HydrophobicContact CD2-SD 3.94Å; L79-M133 HydrophobicContact CG-CE 4.25Å; L79-M133 HydrophobicContact CG-SD 4.47Å; L79-L136 HydrophobicContact CD2-CD1 4.3Å; L79-F137 HydrophobicContact CD2-CE2 4.03Å; L79-F137 HydrophobicContact CD2-CZ 4.27Å
80R97.4Very high97Very high62 Ų6254.3 Ų54.323%0.23424%0.238CC..Hα-helixtrans-55.4-39.3173.3-173.7-178.9166.6-112.3-1.4112.8H13 F15 L76 K78 R88H13-R80 PolarHBondContact CE1-NE 3.24Å; H13-R80 PolarHBondContact NE2-NE 3.31Å; H13-R80 VanDerWaalsContact NE2-NE 3.17Å; H13-R80 PolarHBondContact NE2-NH2 3.14Å; F15-R80 HydrophobicContact CD1-CB 3.69Å; F15-R80 HydrophobicContact CD1-CG 3.9Å; F15-R80 HydrophobicContact CD2-CG 4.38Å; F15-R80 HydrophobicContact CE1-CB 3.55Å; F15-R80 HydrophobicContact CE1-CG 4.12Å; F15-R80 HydrophobicContact CG-CB 4.35Å; F15-R80 HydrophobicContact CG-CG 4.06Å; F15-R80 HydrophobicContact CZ-CB 4.08Å; F15-R80 HydrophobicContact CZ-CG 4.44Å; L76-R80 WeakPolarHBondContact O-CB 3.41Å; L76-R80 PolarHBondContact O-N 3.08Å; K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 PolarHBondContact O-N 2.81Å; R80-R88 VanDerWaalsContact O-CZ 3.31Å; R80-R88 PolarHBondContact O-NE 2.82Å; R80-R88 PolarHBondContact O-NH2 3.33Å; R80-R88 VanDerWaalsContact O-NH2 3.12Å
81K96.1Very high97.2Very high97 Ų9750 Ų5042%0.42222%0.219SC..Hα-helixtrans-79.5-26.6-176.3-64.9162.4-166.3169.40111.3D10 A77 K78 L79 N107D10-K81 IonicContact OD1-NZ 2.66Å; D10-K81 PolarHBondContact OD1-NZ 3.22Å; D10-K81 IonicContact OD2-NZ 3.12Å; D10-K81 PolarHBondContact OD2-NZ 3.28Å; A77-K81 WeakPolarHBondContact O-CD 3.39Å; A77-K81 WeakPolarHBondContact O-CE 3.47Å; A77-K81 WeakPolarHBondContact O-CG 3.36Å; K78-K81 WeakPolarHBondContact O-CA 3.34Å; K78-K81 WeakPolarHBondContact O-CB 3.43Å; K78-K81 PolarHBondContact O-N 3.21Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.47Å; K81-N107 PolarHBondContact O-ND2 2.66Å
82D96.8Very high97.2Very high27 Ų2749.9 Ų49.914%0.14422%0.221CC..Hα-helixtrans-88-11.7172.3-73.8-76000114.7K78 L79 S106 N107 R115 I117 L129K78-D82 PolarHBondContact O-N 2.93Å; K78-D82 VanDerWaalsContact O-N 3.08Å; L79-D82 PolarHBondContact O-N 3.48Å; D82-S106 CarbonylContact O-C 3.44Å; D82-S106 WeakPolarHBondContact O-CA 3.31Å; D82-N107 PolarHBondContact O-N 3.48Å; D82-R115 WeakPolarHBondContact OD1-CD 3.37Å; D82-I117 HydrophobicContact CB-CG2 4.16Å; D82-I117 VanDerWaalsContact CG-CG2 3.47Å; D82-I117 WeakPolarHBondContact OD2-CG2 3.33Å; D82-L129 HydrophobicContact CB-CD2 3.9Å
83I97.9Very high97.2Very high0 Ų053 Ų530%024%0.237CC..BIsolated β-bridgetrans-88.1136.2167.9-66.5162.6000110.2F15 L79 R88 F91 V104 M133 V163F15-I83 HydrophobicContact CE2-CD1 4.46Å; F15-I83 HydrophobicContact CZ-CD1 3.92Å; L79-I83 HydrophobicContact CD1-CD1 4.36Å; L79-I83 HydrophobicContact CG-CD1 3.94Å; L79-I83 WeakPolarHBondContact O-CG1 3.39Å; L79-I83 PolarHBondContact O-N 2.94Å; I83-R88 HydrophobicContact CB-CG 4.43Å; I83-R88 HydrophobicContact CG2-CG 3.92Å; I83-R88 PolarHBondContact O-NE 2.68Å; I83-R88 PolarHBondContact O-NH2 3.05Å; I83-F91 HydrophobicContact CD1-CD1 3.69Å; I83-F91 HydrophobicContact CD1-CE1 3.79Å; I83-F91 HydrophobicContact CD1-CG 4.14Å; I83-F91 HydrophobicContact CD1-CZ 4.36Å; I83-V104 HydrophobicContact CG2-CG1 3.92Å; I83-M133 HydrophobicContact CD1-CE 3.92Å; I83-M133 HydrophobicContact CG1-CE 4.39Å; I83-V163 HydrophobicContact CG1-CG2 4.39Å
84R97.6Very high97.3Very high85 Ų8552.3 Ų52.332%0.32123%0.233SC..  trans-59.8135.4172.6-84.3176.664.91690.9110.2E86 Y87 L105 N107R84-E86 VanDerWaalsContact C-N 3.34Å; R84-E86 VanDerWaalsContact C-OE2 3.32Å; R84-E86 IonicContact CZ-OE1 2.67Å; R84-E86 IonicContact NE-OE1 2.7Å; R84-E86 PolarHBondContact NE-OE1 3.02Å; R84-E86 IonicContact NH2-OE1 2.96Å; R84-E86 PolarHBondContact NH2-OE1 2.93Å; R84-E86 PolarHBondContact O-N 3.27Å; R84-Y87 HydrophobicContact CB-CD2 3.73Å; R84-Y87 HydrophobicContact CB-CE2 4.32Å; R84-Y87 PolarHBondContact O-N 3.42Å; R84-L105 WeakPolarHBondContact CB-O 2.93Å; R84-L105 PolarHBondContact N-O 2.75Å; R84-L105 VanDerWaalsContact N-O 3.09Å; R84-N107 WeakPolarHBondContact CG-OD1 3.38Å
85Q97Very high97.3Very high140 Ų14046.9 Ų46.965%0.65421%0.214SC*.G310 helixtrans-55.9-46.3-165.1176.8152.3-46.100113.7Y87 R88Q85-Y87 PolarHBondContact O-N 3.45Å; Q85-R88 WeakPolarHBondContact O-CB 3.34Å; Q85-R88 WeakPolarHBondContact O-CG 3.29Å; Q85-R88 PolarHBondContact O-N 3.38Å; Q85-R88 VanDerWaalsContact O-N 3.1Å
86E97.5Very high97.2Very high109 Ų10948.3 Ų48.351%0.50922%0.222SC..G310 helixtrans-62.1-18.1179.764.1-85.9-148.200114.2R84R84-E86 VanDerWaalsContact C-N 3.34Å; R84-E86 VanDerWaalsContact C-OE2 3.32Å; R84-E86 IonicContact CZ-OE1 2.67Å; R84-E86 IonicContact NE-OE1 2.7Å; R84-E86 PolarHBondContact NE-OE1 3.02Å; R84-E86 IonicContact NH2-OE1 2.96Å; R84-E86 PolarHBondContact NH2-OE1 2.93Å; R84-E86 PolarHBondContact O-N 3.27Å
87Y98Very high97.1Very high60 Ų6051.3 Ų51.324%0.23525%0.254CS..G310 helixtrans-101.60.3176.1-61.3-80000113.6R84 Q85 F91 C103 L105R84-Y87 HydrophobicContact CB-CD2 3.73Å; R84-Y87 HydrophobicContact CB-CE2 4.32Å; R84-Y87 PolarHBondContact O-N 3.42Å; Q85-Y87 PolarHBondContact O-N 3.45Å; Y87-F91 VanDerWaalsContact O-CB 3.29Å; Y87-F91 WeakPolarHBondContact O-CB 3.47Å; Y87-F91 PolarHBondContact O-N 3.33Å; Y87-C103 WeakPolarHBondContact CD1-O 3.31Å; Y87-C103 WeakPolarHBondContact CE1-O 3.28Å; Y87-L105 HydrophobicContact CD2-CB 3.91Å; Y87-L105 HydrophobicContact CD2-CG 4.19Å; Y87-L105 HydrophobicContact CE1-CG 4.21Å; Y87-L105 HydrophobicContact CE2-CB 3.78Å; Y87-L105 HydrophobicContact CE2-CD1 3.78Å; Y87-L105 HydrophobicContact CE2-CG 3.7Å; Y87-L105 WeakPolarHBondContact OH-CD1 3.36Å
88R97.7Very high97.1Very high38 Ų3859.2 Ų59.214%0.14329%0.288CS..Hα-helixtrans-67.9-39.6-176.2-70176.2-177.9137.712.5112.7F15 R80 I83 Q85 V92F15-R88 HydrophobicContact CD2-CB 4.02Å; F15-R88 HydrophobicContact CD2-CG 4.5Å; F15-R88 HydrophobicContact CE2-CB 4Å; F15-R88 HydrophobicContact CE2-CG 4.23Å; R80-R88 VanDerWaalsContact O-CZ 3.31Å; R80-R88 PolarHBondContact O-NE 2.82Å; R80-R88 PolarHBondContact O-NH2 3.33Å; R80-R88 VanDerWaalsContact O-NH2 3.12Å; I83-R88 HydrophobicContact CB-CG 4.43Å; I83-R88 HydrophobicContact CG2-CG 3.92Å; I83-R88 PolarHBondContact O-NE 2.68Å; I83-R88 PolarHBondContact O-NH2 3.05Å; Q85-R88 WeakPolarHBondContact O-CB 3.34Å; Q85-R88 WeakPolarHBondContact O-CG 3.29Å; Q85-R88 PolarHBondContact O-N 3.38Å; Q85-R88 VanDerWaalsContact O-N 3.1Å; R88-V92 WeakPolarHBondContact O-CG2 3.39Å; R88-V92 PolarHBondContact O-N 2.87Å; R88-V92 VanDerWaalsContact O-N 3.16Å
89E97.3Very high97.1Very high154 Ų15459.9 Ų59.972%0.7229%0.291SS*.Hα-helixtrans-72.3-46.3179-70169.7-158.800110.6F91 V92 L93E89-F91 VanDerWaalsContact C-N 3.25Å; E89-F91 PolarHBondContact O-N 3.08Å; E89-V92 PolarHBondContact O-N 2.85Å; E89-V92 VanDerWaalsContact O-N 3.08Å; E89-L93 WeakPolarHBondContact O-CB 3.31Å; E89-L93 WeakPolarHBondContact O-CG 3.37Å; E89-L93 PolarHBondContact O-N 3.24Å
90D97.4Very high97Very high41 Ų4164.8 Ų64.822%0.21932%0.323CS..Hα-helixtrans-58.4-34.8173.8-93.117000113.2S94 K99 C102D90-S94 VanDerWaalsContact O-CB 3.27Å; D90-S94 WeakPolarHBondContact O-CB 3.47Å; D90-S94 PolarHBondContact O-N 2.76Å; D90-S94 PolarHBondContact O-OG 3.22Å; D90-K99 IonicContact OD1-NZ 3.69Å; D90-K99 PolarHBondContact OD1-NZ 3.5Å; D90-K99 IonicContact OD2-NZ 2.73Å; D90-K99 PolarHBondContact OD2-NZ 3.42Å; D90-C102 PolarHBondContact OD2-SG 3.13Å
91F98.2Very high96.9Very high0 Ų065 Ų650%033%0.332CS..Hα-helixtrans-65.3-48.6171.5-176.6-119.2000112.4F15 L19 L79 I83 Y87 E89 S94 V95 V104 M133 F137 P165F15-F91 AromaticContact CE2-CD1 3.71Å; F15-F91 HydrophobicContact CE2-CD1 3.71Å; F15-F91 HydrophobicContact CE2-CE1 4.41Å; F15-F91 AromaticContact CZ-CD1 3.64Å; F15-F91 HydrophobicContact CZ-CD1 3.64Å; F15-F91 AromaticContact CZ-CE1 3.89Å; F15-F91 HydrophobicContact CZ-CE1 3.89Å; L19-F91 HydrophobicContact CD1-CD1 3.76Å; L19-F91 HydrophobicContact CD1-CE1 3.5Å; L19-F91 HydrophobicContact CD2-CE1 4.3Å; L79-F91 HydrophobicContact CD2-CE1 4.07Å; L79-F91 HydrophobicContact CD2-CZ 4.2Å; I83-F91 HydrophobicContact CD1-CD1 3.69Å; I83-F91 HydrophobicContact CD1-CE1 3.79Å; I83-F91 HydrophobicContact CD1-CG 4.14Å; I83-F91 HydrophobicContact CD1-CZ 4.36Å; Y87-F91 VanDerWaalsContact O-CB 3.29Å; Y87-F91 WeakPolarHBondContact O-CB 3.47Å; Y87-F91 PolarHBondContact O-N 3.33Å; E89-F91 VanDerWaalsContact C-N 3.25Å; E89-F91 PolarHBondContact O-N 3.08Å; F91-S94 PolarHBondContact O-N 3.16Å; F91-V95 HydrophobicContact CD2-CG2 3.9Å; F91-V95 HydrophobicContact CE2-CG2 3.63Å; F91-V95 HydrophobicContact CZ-CG2 4.04Å; F91-V95 WeakPolarHBondContact O-CB 3.32Å; F91-V95 VanDerWaalsContact O-CG2 3.31Å; F91-V95 WeakPolarHBondContact O-CG2 3.33Å; F91-V95 PolarHBondContact O-N 2.81Å; F91-V104 HydrophobicContact CB-CB 4.39Å; F91-V104 HydrophobicContact CB-CG1 3.79Å; F91-V104 HydrophobicContact CB-CG2 3.72Å; F91-V104 HydrophobicContact CD2-CB 4.28Å; F91-V104 HydrophobicContact CD2-CG1 3.91Å; F91-V104 HydrophobicContact CD2-CG2 4.04Å; F91-V104 HydrophobicContact CG-CG1 4.04Å; F91-V104 HydrophobicContact CG-CG2 4.35Å; F91-M133 HydrophobicContact CD2-CE 4.41Å; F91-M133 HydrophobicContact CE1-CE 4.24Å; F91-M133 HydrophobicContact CE2-CE 3.57Å; F91-M133 HydrophobicContact CE2-SD 3.94Å; F91-M133 HydrophobicContact CZ-CE 3.47Å; F91-M133 VanDerWaalsContact CZ-CE 3.47Å; F91-M133 HydrophobicContact CZ-SD 3.61Å; F91-F137 HydrophobicContact CE1-CE2 4.46Å; F91-F137 HydrophobicContact CE1-CZ 4.33Å; F91-F137 HydrophobicContact CZ-CD2 4.38Å; F91-F137 AromaticContact CZ-CE2 3.7Å; F91-F137 HydrophobicContact CZ-CE2 3.7Å; F91-F137 AromaticContact CZ-CZ 3.94Å; F91-F137 HydrophobicContact CZ-CZ 3.94Å; F91-P165 HydrophobicContact CE2-CG 4.31Å
92V98Very high96.8Very high23 Ų2361.8 Ų61.814%0.13932%0.322CS..Hα-helixtrans-60.3-50.2176.6172.70000110.6F15 A18 L19 R88 E89 S94 V95 T96F15-V92 HydrophobicContact CB-CG2 4.42Å; F15-V92 HydrophobicContact CD2-CG2 3.51Å; F15-V92 HydrophobicContact CE2-CG2 4.02Å; F15-V92 HydrophobicContact CG-CG2 4.13Å; A18-V92 HydrophobicContact CB-CG1 3.58Å; L19-V92 HydrophobicContact CD1-CG2 4.13Å; L19-V92 HydrophobicContact CD2-CG2 4.47Å; L19-V92 HydrophobicContact CG-CG2 4.11Å; R88-V92 WeakPolarHBondContact O-CG2 3.39Å; R88-V92 PolarHBondContact O-N 2.87Å; R88-V92 VanDerWaalsContact O-N 3.16Å; E89-V92 PolarHBondContact O-N 2.85Å; E89-V92 VanDerWaalsContact O-N 3.08Å; V92-S94 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 2.85Å; V92-V95 PolarHBondContact O-N 3.4Å; V92-T96 HydrophobicContact CG1-CG2 4.3Å; V92-T96 WeakPolarHBondContact O-CB 3.42Å; V92-T96 VanDerWaalsContact O-CG2 3.25Å; V92-T96 WeakPolarHBondContact O-CG2 3.25Å; V92-T96 PolarHBondContact O-N 3.12Å; V92-T96 PolarHBondContact O-OG1 2.87Å
93L97.7Very high96.9Very high65 Ų6561.4 Ų61.434%0.3432%0.321SS..Hα-helixtrans-62.8-38.2-178.1-66.9173000112.3E89 T96 G97 K98 K99E89-L93 WeakPolarHBondContact O-CB 3.31Å; E89-L93 WeakPolarHBondContact O-CG 3.37Å; E89-L93 PolarHBondContact O-N 3.24Å; L93-T96 WeakPolarHBondContact CA-OG1 3.28Å; L93-T96 PolarHBondContact O-OG1 3.32Å; L93-G97 CarbonylContact O-C 3.55Å; L93-G97 PolarHBondContact O-N 3.33Å; L93-K98 HydrophobicContact CB-CB 4.47Å; L93-K98 HydrophobicContact CD2-CB 3.93Å; L93-K98 HydrophobicContact CD2-CD 4.19Å; L93-K98 WeakPolarHBondContact O-CA 3.34Å; L93-K98 PolarHBondContact O-N 2.87Å; L93-K99 HydrophobicContact CB-CB 3.69Å; L93-K99 HydrophobicContact CD1-CD 4.5Å; L93-K99 PolarHBondContact O-N 3.05Å; L93-K99 VanDerWaalsContact O-N 3.08Å
94S97.1Very high96.9Very high3 Ų361.4 Ų61.42%0.02132%0.321CS..Hα-helixtrans-87.3-16.8-179.265.20000115.3D90 F91 V92 K99 Q164 H166D90-S94 VanDerWaalsContact O-CB 3.27Å; D90-S94 WeakPolarHBondContact O-CB 3.47Å; D90-S94 PolarHBondContact O-N 2.76Å; D90-S94 PolarHBondContact O-OG 3.22Å; F91-S94 PolarHBondContact O-N 3.16Å; V92-S94 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 2.85Å; S94-K99 WeakPolarHBondContact CA-O 3.35Å; S94-K99 WeakPolarHBondContact CB-O 3.44Å; S94-Q164 PolarHBondContact OG-NE2 3.16Å; S94-H166 PolarHBondContact O-CE1 3.39Å
95V97.1Very high96.9Very high16 Ų1657.6 Ų57.610%0.09731%0.307CS..Hα-helixtrans-82.6-32.7166.6172.40000111.4L19 H22 F91 V92 G97 F137L19-V95 HydrophobicContact CD2-CB 3.71Å; L19-V95 HydrophobicContact CD2-CG1 3.59Å; L19-V95 HydrophobicContact CD2-CG2 4.31Å; H22-V95 HydrophobicContact CB-CG1 3.67Å; H22-V95 PolarHBondContact ND1-O 3.08Å; F91-V95 HydrophobicContact CD2-CG2 3.9Å; F91-V95 HydrophobicContact CE2-CG2 3.63Å; F91-V95 HydrophobicContact CZ-CG2 4.04Å; F91-V95 WeakPolarHBondContact O-CB 3.32Å; F91-V95 VanDerWaalsContact O-CG2 3.31Å; F91-V95 WeakPolarHBondContact O-CG2 3.33Å; F91-V95 PolarHBondContact O-N 2.81Å; V92-V95 PolarHBondContact O-N 3.4Å; V95-G97 VanDerWaalsContact C-N 3.27Å; V95-G97 PolarHBondContact O-N 2.84Å; V95-F137 HydrophobicContact CG1-CD1 3.68Å; V95-F137 HydrophobicContact CG1-CE1 3.85Å; V95-F137 HydrophobicContact CG1-CG 4.47Å
96T96Very high96.9Very high30 Ų3050.9 Ų50.918%0.18428%0.275CS..THydrogen-bonded Turntrans-81.2-0.2174.158.50000114A18 V92 L93 K98A18-T96 VanDerWaalsContact O-CG2 3.31Å; A18-T96 WeakPolarHBondContact O-CG2 3.35Å; V92-T96 HydrophobicContact CG1-CG2 4.3Å; V92-T96 WeakPolarHBondContact O-CB 3.42Å; V92-T96 VanDerWaalsContact O-CG2 3.25Å; V92-T96 WeakPolarHBondContact O-CG2 3.25Å; V92-T96 PolarHBondContact O-N 3.12Å; V92-T96 PolarHBondContact O-OG1 2.87Å; L93-T96 WeakPolarHBondContact CA-OG1 3.28Å; L93-T96 PolarHBondContact O-OG1 3.32Å; T96-K98 VanDerWaalsContact C-N 3.25Å; T96-K98 PolarHBondContact O-N 2.69Å
97G95.1Very high96.9Very high65 Ų6547.9 Ų47.967%0.6726%0.263SS*.THydrogen-bonded Turntrans76.41.6178.900000115.6L93 V95 K99L93-G97 CarbonylContact O-C 3.55Å; L93-G97 PolarHBondContact O-N 3.33Å; V95-G97 VanDerWaalsContact C-N 3.27Å; V95-G97 PolarHBondContact O-N 2.84Å; G97-K99 VanDerWaalsContact C-N 3.33Å; G97-K99 PolarHBondContact O-N 3.26Å
98K96.1Very high96.8Very high167 Ų16747.5 Ų47.573%0.72627%0.267SS*.SBendtrans-76.5-14.2-178.8-60.6-177-179-173.90114.3L93 T96L93-K98 HydrophobicContact CB-CB 4.47Å; L93-K98 HydrophobicContact CD2-CB 3.93Å; L93-K98 HydrophobicContact CD2-CD 4.19Å; L93-K98 WeakPolarHBondContact O-CA 3.34Å; L93-K98 PolarHBondContact O-N 2.87Å; T96-K98 VanDerWaalsContact C-N 3.25Å; T96-K98 PolarHBondContact O-N 2.69Å
99K96.3Very high96.8Very high76 Ų7648.2 Ų48.233%0.3327%0.274SS..SBendtrans-140.4142.3175.7-171.3-176.4-170.9-178.30109.4D90 L93 S94 G97D90-K99 IonicContact OD1-NZ 3.69Å; D90-K99 PolarHBondContact OD1-NZ 3.5Å; D90-K99 IonicContact OD2-NZ 2.73Å; D90-K99 PolarHBondContact OD2-NZ 3.42Å; L93-K99 HydrophobicContact CB-CB 3.69Å; L93-K99 HydrophobicContact CD1-CD 4.5Å; L93-K99 PolarHBondContact O-N 3.05Å; L93-K99 VanDerWaalsContact O-N 3.08Å; S94-K99 WeakPolarHBondContact CA-O 3.35Å; S94-K99 WeakPolarHBondContact CB-O 3.44Å; G97-K99 VanDerWaalsContact C-N 3.33Å; G97-K99 PolarHBondContact O-N 3.26Å
100P95.6Very high96.6Very high103 Ų10350.3 Ų50.367%0.66928%0.284SS*.  trans-56.4148.3171.223-34.4000111.8C102P100-C102 PolarHBondContact O-N 3.06Å
101P94.1Very high96.5Very high66 Ų6656.5 Ų56.543%0.42931%0.309SS..  trans-55.4136178.8-29.737.6000114.3H166P101-H166 HydrophobicContact CB-CB 3.67Å; P101-H166 HydrophobicContact CG-CB 3.64Å
102C95.3Very high96.4Very high30 Ų3058.6 Ų58.620%0.20333%0.331CS..  trans-138.5169.7175.855.60000110.3D90 P100 V104 Q164D90-C102 PolarHBondContact OD2-SG 3.13Å; P100-C102 PolarHBondContact O-N 3.06Å; C102-V104 PolarHBondContact O-N 3.48Å; C102-Q164 WeakPolarHBondContact O-CG 3.49Å
103C97.8Very high96.2Very high18 Ų1864.1 Ų64.112%0.12235%0.353CS..  trans-73.298.7-176.7-75.70000112.2Y87 L105 N158 H167Y87-C103 WeakPolarHBondContact CD1-O 3.31Å; Y87-C103 WeakPolarHBondContact CE1-O 3.28Å; C103-L105 HydrophobicContact CB-CD2 4.23Å; C103-N158 HydrophobicContact CB-CB 4.43Å; C103-H167 PolarHBondContact N-CE1 3.24Å; C103-H167 PolarHBondContact SG-ND1 3.08Å; C103-H167 VanDerWaalsContact SG-ND1 3.42Å
104V98.1Very high96.2Very high0 Ų062.1 Ų62.10%034%0.342CS..PPolyproline II helixtrans-82.4121.7168.4174.30000109.5I83 F91 C102 C162 V163 Q164I83-V104 HydrophobicContact CG2-CG1 3.92Å; F91-V104 HydrophobicContact CB-CB 4.39Å; F91-V104 HydrophobicContact CB-CG1 3.79Å; F91-V104 HydrophobicContact CB-CG2 3.72Å; F91-V104 HydrophobicContact CD2-CB 4.28Å; F91-V104 HydrophobicContact CD2-CG1 3.91Å; F91-V104 HydrophobicContact CD2-CG2 4.04Å; F91-V104 HydrophobicContact CG-CG1 4.04Å; F91-V104 HydrophobicContact CG-CG2 4.35Å; C102-V104 PolarHBondContact O-N 3.48Å; V104-C162 WeakPolarHBondContact O-CA 3.46Å; V104-V163 HydrophobicContact CG1-CG2 4.1Å; V104-V163 PolarHBondContact O-N 3.07Å; V104-Q164 HydrophobicContact CB-CB 4.16Å; V104-Q164 HydrophobicContact CG2-CB 4.39Å
105L98.1Very high96.1Very high5 Ų566.5 Ų66.53%0.02636%0.358CS..BIsolated β-bridgetrans-102135-175.1-53.5-170.5000112.9R84 Y87 C103 N158 C162R84-L105 WeakPolarHBondContact CB-O 2.93Å; R84-L105 PolarHBondContact N-O 2.75Å; R84-L105 VanDerWaalsContact N-O 3.09Å; Y87-L105 HydrophobicContact CD2-CB 3.91Å; Y87-L105 HydrophobicContact CD2-CG 4.19Å; Y87-L105 HydrophobicContact CE1-CG 4.21Å; Y87-L105 HydrophobicContact CE2-CB 3.78Å; Y87-L105 HydrophobicContact CE2-CD1 3.78Å; Y87-L105 HydrophobicContact CE2-CG 3.7Å; Y87-L105 WeakPolarHBondContact OH-CD1 3.36Å; C103-L105 HydrophobicContact CB-CD2 4.23Å; L105-N158 HydrophobicContact CD2-CB 3.49Å; L105-N158 VanDerWaalsContact CD2-CB 3.49Å; L105-C162 HydrophobicContact CD2-CB 4.22Å
106S97.6Very high96Very high0 Ų074.3 Ų74.30%039%0.386CS..BIsolated β-bridgetrans-77.6152.2167.761.90000112D82 L161D82-S106 CarbonylContact O-C 3.44Å; D82-S106 WeakPolarHBondContact O-CA 3.31Å; S106-L161 PolarHBondContact N-O 3.42Å; S106-L161 PolarHBondContact OG-O 2.83Å
107N97.1Very high95.9Very high46 Ų4673.3 Ų73.325%0.24638%0.38CS..PPolyproline II helixtrans-58127.4162-70.3-40.4000109.1K81 D82 R84 R115K81-N107 PolarHBondContact O-ND2 2.66Å; D82-N107 PolarHBondContact O-N 3.48Å; R84-N107 WeakPolarHBondContact CG-OD1 3.38Å; N107-R115 WeakPolarHBondContact O-CD 3.1Å; N107-R115 WeakPolarHBondContact O-CG 3.31Å; N107-R115 PolarHBondContact O-NE 3.36Å
108P96.4Very high95.9Very high51 Ų5173.7 Ų73.733%0.33137%0.366SS..BIsolated β-bridgetrans-68.5151.5-179.826.9-34.1000111.9K113 R115 L161P108-K113 WeakPolarHBondContact CA-O 3.22Å; P108-R115 VanDerWaalsContact O-CZ 3.23Å; P108-R115 PolarHBondContact O-NE 2.77Å; P108-R115 PolarHBondContact O-NH2 3.32Å; P108-L161 HydrophobicContact CB-CD1 4.2Å; P108-L161 HydrophobicContact CB-CD2 3.96Å
109D95.8Very high95.9Very high53 Ų5365.9 Ų65.928%0.28333%0.333SS..  trans-70.7-179167.382.8-15.3000111.6K111 G112 K113 R115D109-K111 PolarHBondContact O-N 3.04Å; D109-K111 VanDerWaalsContact OD1-C 3.24Å; D109-K111 VanDerWaalsContact OD1-CA 3.29Å; D109-K111 WeakPolarHBondContact OD1-CA 3.37Å; D109-K111 WeakPolarHBondContact OD1-CB 3.28Å; D109-K111 PolarHBondContact OD1-N 3.16Å; D109-G112 PolarHBondContact O-N 2.8Å; D109-G112 VanDerWaalsContact O-N 3.12Å; D109-G112 PolarHBondContact OD1-N 2.79Å; D109-G112 VanDerWaalsContact OD1-N 3.07Å; D109-K113 PolarHBondContact N-O 3.36Å; D109-K113 PolarHBondContact OD1-N 2.85Å; D109-R115 HydrophobicContact CB-CG 3.96Å
110Q94.9Very high95.8Very high198 Ų19863.4 Ų63.493%0.92532%0.323SS*.THydrogen-bonded Turntrans-61.3-8.1177.8-67.6175-1500114.1
111K95.1Very high95.2Very high171 Ų17167.6 Ų67.674%0.74333%0.325SS*.THydrogen-bonded Turntrans-117.613.1-178.9-57.7-173.4178.5-172.90112.4D109D109-K111 PolarHBondContact O-N 3.04Å; D109-K111 VanDerWaalsContact OD1-C 3.24Å; D109-K111 VanDerWaalsContact OD1-CA 3.29Å; D109-K111 WeakPolarHBondContact OD1-CA 3.37Å; D109-K111 WeakPolarHBondContact OD1-CB 3.28Å; D109-K111 PolarHBondContact OD1-N 3.16Å
112G95.3Very high94.3Very high45 Ų4572.6 Ų72.646%0.46434%0.343SS..SBendtrans78.310.6178.800000115.3D109D109-G112 PolarHBondContact O-N 2.8Å; D109-G112 VanDerWaalsContact O-N 3.12Å; D109-G112 PolarHBondContact OD1-N 2.79Å; D109-G112 VanDerWaalsContact OD1-N 3.07Å
113K94.9Very high93.5Very high139 Ų13972 Ų7260%0.60434%0.341SS*.SBendtrans-108.7169.2-171.7-59.8-171.2-180-170.60112.5P108 D109 R115P108-K113 WeakPolarHBondContact CA-O 3.22Å; D109-K113 PolarHBondContact N-O 3.36Å; D109-K113 PolarHBondContact OD1-N 2.85Å; K113-R115 PolarHBondContact O-N 3.24Å
114I95.9Very high92.1Very high23 Ų2376.2 Ų76.212%0.11836%0.362CS..BIsolated β-bridgetrans-52.8124.5173.9-54.6-175.2000109.9R128 L129 D130 A160 V163I114-R128 HydrophobicContact CB-CG 4.45Å; I114-R128 HydrophobicContact CG2-CG 4.16Å; I114-L129 HydrophobicContact CG2-CB 3.68Å; I114-D130 HydrophobicContact CD1-CB 4.47Å; I114-D130 VanDerWaalsContact CD1-OD2 3.24Å; I114-D130 WeakPolarHBondContact CD1-OD2 3.19Å; I114-A160 WeakPolarHBondContact CG1-O 3.37Å; I114-V163 HydrophobicContact CG2-CG1 4.19Å
115R95.3Very high91.7Very high94 Ų9479.4 Ų79.436%0.35538%0.376SS..  trans-60.6162.4178.3-84.9179.6-176.4-113.4-11.7113.2D82 N107 P108 D109 K113 L129D82-R115 WeakPolarHBondContact OD1-CD 3.37Å; N107-R115 WeakPolarHBondContact O-CD 3.1Å; N107-R115 WeakPolarHBondContact O-CG 3.31Å; N107-R115 PolarHBondContact O-NE 3.36Å; P108-R115 VanDerWaalsContact O-CZ 3.23Å; P108-R115 PolarHBondContact O-NE 2.77Å; P108-R115 PolarHBondContact O-NH2 3.32Å; D109-R115 HydrophobicContact CB-CG 3.96Å; K113-R115 PolarHBondContact O-N 3.24Å; R115-L129 WeakPolarHBondContact O-CB 3.35Å; R115-L129 PolarHBondContact O-N 3.26Å
116R95.1Very high91.4Very high180 Ų18082.1 Ų82.168%0.67939%0.392SS*.EExtended strand (participates in β ladder)trans-111.6136.3166.5-56.7-176.5178.3-171.5-2.7108.8V126 W127R116-V126 HydrophobicContact CB-CB 3.97Å; R116-V126 HydrophobicContact CB-CG1 3.48Å; R116-V126 VanDerWaalsContact CB-CG1 3.48Å; R116-W127 CarbonylContact C-O 3.56Å; R116-W127 WeakPolarHBondContact CA-O 3.42Å
117I94.9Very high91.4Very high9 Ų982.5 Ų82.55%0.04639%0.393CS..EExtended strand (participates in β ladder)trans-123.4149.6178.567.4164.8000111.6L75 D82 V126 W127 L129 V132L75-I117 HydrophobicContact CD1-CD1 3.95Å; D82-I117 HydrophobicContact CB-CG2 4.16Å; D82-I117 VanDerWaalsContact CG-CG2 3.47Å; D82-I117 WeakPolarHBondContact OD2-CG2 3.33Å; I117-V126 VanDerWaalsContact C-CG1 3.42Å; I117-W127 PolarHBondContact N-O 3.46Å; I117-W127 PolarHBondContact O-N 3.25Å; I117-L129 HydrophobicContact CD1-CD1 3.45Å; I117-L129 VanDerWaalsContact CD1-CD1 3.45Å; I117-L129 HydrophobicContact CG1-CD1 3.77Å; I117-L129 HydrophobicContact CG2-CD1 3.92Å; I117-V132 HydrophobicContact CD1-CG1 4.27Å; I117-V132 HydrophobicContact CD1-CG2 4.48Å; I117-V132 HydrophobicContact CG1-CG2 4.21Å
118D94.1Very high91.3Very high74 Ų7483.3 Ų83.340%0.39639%0.393SS..  trans-83.2115.4173.2-65.9-51.6000110.3K78 L120 V126K78-D118 PolarHBondContact NZ-O 3.16Å; D118-L120 VanDerWaalsContact C-N 3.32Å; D118-L120 PolarHBondContact O-N 3.45Å; D118-V126 WeakPolarHBondContact OD1-CA 3.45Å
119C96.4Very high91.4Very high2 Ų280.9 Ų80.91%0.01438%0.377CS..SBendtrans-70.3-30.1178.8-61.70000112.5F31 W71 L75 K78 V132F31-C119 HydrophobicContact CD1-CB 3.9Å; F31-C119 HydrophobicContact CD2-CB 4.29Å; F31-C119 HydrophobicContact CE1-CB 4.14Å; F31-C119 VanDerWaalsContact CE1-SG 3.53Å; F31-C119 HydrophobicContact CG-CB 3.99Å; F31-C119 HydrophobicContact CZ-CB 4.44Å; W71-C119 PolarHBondContact NE1-O 2.9Å; L75-C119 HydrophobicContact CD2-CB 4.41Å; K78-C119 PolarHBondContact NZ-O 2.96Å; C119-V132 VanDerWaalsContact SG-CG2 3.57Å
120L93.8Very high91.5Very high25 Ų2578.4 Ų78.413%0.13136%0.364CS..SBendtrans-126.8145.2-176.3-68.1166000110.5F31 N32 A35 D118 A123F31-L120 HydrophobicContact CB-CD1 4.34Å; F31-L120 WeakPolarHBondContact O-CD1 3.24Å; N32-L120 WeakPolarHBondContact OD1-CD2 3.5Å; A35-L120 HydrophobicContact CB-CD1 3.66Å; D118-L120 VanDerWaalsContact C-N 3.32Å; D118-L120 PolarHBondContact O-N 3.45Å; L120-A123 HydrophobicContact CB-CB 3.82Å
121R84.4Confident91.6Very high190 Ų19069.1 Ų69.172%0.71732%0.321SS*.THydrogen-bonded Turntrans-70.6145.1167.4-75.5-176.1170.3169.9-1.8108.9A123R121-A123 PolarHBondContact O-N 3.11Å
122Q75.4Confident91.8Very high172 Ų17261 Ų6180%0.80429%0.286SS*.THydrogen-bonded Turntrans5548.4179.8-56.8172-14.400113.4K39K39-Q122 WeakPolarHBondContact CE-O 3.49Å; K39-Q122 PolarHBondContact NZ-O 3.37Å
123A77.5Confident91.9Very high18 Ų1858.9 Ų58.915%0.14926%0.263CS..  trans-130.2124.6174.900000111L120 R121 K125L120-A123 HydrophobicContact CB-CB 3.82Å; R121-A123 PolarHBondContact O-N 3.11Å; A123-K125 PolarHBondContact O-N 2.78Å
124D69.2Low92.1Very high105 Ų10552.3 Ų52.356%0.56124%0.235SC*.SBendtrans-7333-172.5-5012.4000114K42K42-D124 IonicContact NZ-OD2 2.73Å; K42-D124 PolarHBondContact NZ-OD2 3.16Å
125K88.5Confident92.2Very high68 Ų6851.2 Ų51.230%0.29623%0.229SC..  trans-154.6112.5-178.4-174.379.2-176.9-141.50112.5R38 A123 W127 S144R38-K125 VanDerWaalsContact CZ-CB 3.49Å; A123-K125 PolarHBondContact O-N 2.78Å; K125-W127 VanDerWaalsContact O-CD1 3.26Å; K125-S144 VanDerWaalsContact CE-CB 3.44Å; K125-S144 WeakPolarHBondContact CE-OG 3.49Å; K125-S144 PolarHBondContact NZ-OG 3.05Å
126V92.9Very high92.3Very high61 Ų6146.8 Ų46.837%0.3721%0.213SC..  trans-78.5137.7166.9-146.10000110.1R116 I117 D118R116-V126 HydrophobicContact CB-CB 3.97Å; R116-V126 HydrophobicContact CB-CG1 3.48Å; R116-V126 VanDerWaalsContact CB-CG1 3.48Å; I117-V126 VanDerWaalsContact C-CG1 3.42Å; D118-V126 WeakPolarHBondContact OD1-CA 3.45Å
127W96.3Very high92.4Very high8 Ų838.9 Ų38.93%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-111.3140.7-176.9-70.773.7000112.1F31 Q34 R116 I117 K125 V132 I135 L142 S144F31-W127 HydrophobicContact CD1-CD2 4.19Å; F31-W127 AromaticContact CD1-CE2 3.8Å; F31-W127 HydrophobicContact CD1-CH2 4.25Å; F31-W127 AromaticContact CD1-CZ2 3.85Å; F31-W127 HydrophobicContact CD1-CZ2 3.85Å; F31-W127 AromaticContact CE1-CD2 3.7Å; F31-W127 HydrophobicContact CE1-CD2 3.7Å; F31-W127 AromaticContact CE1-CE2 3.81Å; F31-W127 AromaticContact CE1-CE3 3.83Å; F31-W127 HydrophobicContact CE1-CE3 3.83Å; F31-W127 HydrophobicContact CE1-CG 4.2Å; F31-W127 HydrophobicContact CE1-CH2 4.16Å; F31-W127 HydrophobicContact CE1-CZ2 4.06Å; F31-W127 HydrophobicContact CE1-CZ3 4.05Å; Q34-W127 HydrophobicContact CB-CZ2 4.31Å; R116-W127 CarbonylContact C-O 3.56Å; R116-W127 WeakPolarHBondContact CA-O 3.42Å; I117-W127 PolarHBondContact N-O 3.46Å; I117-W127 PolarHBondContact O-N 3.25Å; K125-W127 VanDerWaalsContact O-CD1 3.26Å; W127-V132 HydrophobicContact CB-CG2 3.6Å; W127-V132 HydrophobicContact CG-CG2 4.48Å; W127-I135 HydrophobicContact CE3-CD1 4.25Å; W127-I135 HydrophobicContact CZ3-CD1 3.89Å; W127-L142 WeakPolarHBondContact CZ3-O 3.44Å; W127-S144 VanDerWaalsContact CZ3-CA 3.5Å; W127-S144 VanDerWaalsContact CZ3-N 3.34Å
128R96.4Very high92.5Very high64 Ų6441.9 Ų41.924%0.24220%0.196CC..EExtended strand (participates in β ladder)trans-64.7133.7175.1-166.8-175.663.5178.4-4.5109.9I114 D130 L131 V132 G147 L150I114-R128 HydrophobicContact CB-CG 4.45Å; I114-R128 HydrophobicContact CG2-CG 4.16Å; R128-D130 VanDerWaalsContact C-N 3.33Å; R128-D130 WeakPolarHBondContact CD-OD1 3.2Å; R128-D130 WeakPolarHBondContact CG-OD1 3.12Å; R128-D130 IonicContact CZ-OD1 3.6Å; R128-D130 VanDerWaalsContact CZ-OD1 3.26Å; R128-D130 IonicContact CZ-OD2 3.53Å; R128-D130 IonicContact NE-OD1 3.75Å; R128-D130 PolarHBondContact NE-OD1 3.37Å; R128-D130 IonicContact NE-OD2 3.37Å; R128-D130 IonicContact NH2-OD1 2.73Å; R128-D130 PolarHBondContact NH2-OD1 2.86Å; R128-D130 IonicContact NH2-OD2 3.26Å; R128-D130 PolarHBondContact O-N 3.22Å; R128-L131 HydrophobicContact CB-CD1 4.1Å; R128-L131 HydrophobicContact CB-CG 4.48Å; R128-L131 WeakPolarHBondContact O-CB 3.38Å; R128-L131 PolarHBondContact O-N 3.15Å; R128-L131 VanDerWaalsContact O-N 3.11Å; R128-V132 PolarHBondContact O-N 3Å; R128-G147 VanDerWaalsContact CZ-O 3.24Å; R128-G147 PolarHBondContact NH1-O 3.49Å; R128-G147 PolarHBondContact NH2-O 3.41Å; R128-L150 VanDerWaalsContact NH2-CD1 3.27Å
129L97.8Very high92.6Very high0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-61-35.8-163.9-166.954.8000114.7L79 D82 I114 R115 I117 V132 M133 V163L79-L129 HydrophobicContact CD1-CD1 3.56Å; L79-L129 HydrophobicContact CD1-CG 4.32Å; D82-L129 HydrophobicContact CB-CD2 3.9Å; I114-L129 HydrophobicContact CG2-CB 3.68Å; R115-L129 WeakPolarHBondContact O-CB 3.35Å; R115-L129 PolarHBondContact O-N 3.26Å; I117-L129 HydrophobicContact CD1-CD1 3.45Å; I117-L129 VanDerWaalsContact CD1-CD1 3.45Å; I117-L129 HydrophobicContact CG1-CD1 3.77Å; I117-L129 HydrophobicContact CG2-CD1 3.92Å; L129-V132 WeakPolarHBondContact O-CB 3.22Å; L129-V132 PolarHBondContact O-N 3.44Å; L129-M133 VanDerWaalsContact O-CG 3.32Å; L129-M133 WeakPolarHBondContact O-CG 3.34Å; L129-M133 PolarHBondContact O-N 2.86Å; L129-V163 HydrophobicContact CB-CG1 4.24Å; L129-V163 HydrophobicContact CD2-CG1 4.05Å; L129-V163 HydrophobicContact CG-CG1 4.06Å
130D97.7Very high92.6Very high1 Ų141.2 Ų41.21%0.00519%0.192CC..Hα-helixtrans-73.4-28177.856.12000114.3I114 R128 V132 M133 V134 L150 K152 I168I114-D130 HydrophobicContact CD1-CB 4.47Å; I114-D130 VanDerWaalsContact CD1-OD2 3.24Å; I114-D130 WeakPolarHBondContact CD1-OD2 3.19Å; R128-D130 VanDerWaalsContact C-N 3.33Å; R128-D130 WeakPolarHBondContact CD-OD1 3.2Å; R128-D130 WeakPolarHBondContact CG-OD1 3.12Å; R128-D130 IonicContact CZ-OD1 3.6Å; R128-D130 VanDerWaalsContact CZ-OD1 3.26Å; R128-D130 IonicContact CZ-OD2 3.53Å; R128-D130 IonicContact NE-OD1 3.75Å; R128-D130 PolarHBondContact NE-OD1 3.37Å; R128-D130 IonicContact NE-OD2 3.37Å; R128-D130 IonicContact NH2-OD1 2.73Å; R128-D130 PolarHBondContact NH2-OD1 2.86Å; R128-D130 IonicContact NH2-OD2 3.26Å; R128-D130 PolarHBondContact O-N 3.22Å; D130-V132 VanDerWaalsContact C-N 3.31Å; D130-M133 PolarHBondContact O-N 2.79Å; D130-V134 WeakPolarHBondContact O-CG2 3.36Å; D130-V134 PolarHBondContact O-N 3.22Å; D130-L150 HydrophobicContact CB-CD1 4.09Å; D130-K152 IonicContact OD2-NZ 3.9Å; D130-K152 PolarHBondContact OD2-NZ 3.38Å; D130-I168 HydrophobicContact CB-CD1 3.69Å
131L97.9Very high92.6Very high3 Ų341.8 Ų41.82%0.01620%0.197CC..Hα-helixtrans-60.6-45.3165.4-69.5168.6000109.7R128 M133 V134 I135 L142 D146 L150R128-L131 HydrophobicContact CB-CD1 4.1Å; R128-L131 HydrophobicContact CB-CG 4.48Å; R128-L131 WeakPolarHBondContact O-CB 3.38Å; R128-L131 PolarHBondContact O-N 3.15Å; R128-L131 VanDerWaalsContact O-N 3.11Å; L131-M133 VanDerWaalsContact C-N 3.31Å; L131-M133 PolarHBondContact O-N 3.4Å; L131-V134 PolarHBondContact O-N 2.91Å; L131-I135 WeakPolarHBondContact O-CD1 3.36Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.4Å; L131-I135 PolarHBondContact O-N 3.34Å; L131-L142 HydrophobicContact CD2-CB 4.09Å; L131-L142 HydrophobicContact CD2-CD1 3.8Å; L131-D146 HydrophobicContact CD2-CB 4.43Å; L131-L150 HydrophobicContact CD2-CD1 3.89Å; L131-L150 HydrophobicContact CD2-CG 4.08Å; L131-L150 HydrophobicContact CG-CD1 4.21Å
132V98.2Very high93.1Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-62.9-39.1178.8-173.80000111.1F31 L75 I117 C119 W127 R128 L129 D130 I135 L136F31-V132 HydrophobicContact CE2-CG1 4.35Å; F31-V132 HydrophobicContact CZ-CB 4.36Å; F31-V132 HydrophobicContact CZ-CG1 4.01Å; F31-V132 HydrophobicContact CZ-CG2 4.2Å; L75-V132 HydrophobicContact CD2-CG1 4.39Å; I117-V132 HydrophobicContact CD1-CG1 4.27Å; I117-V132 HydrophobicContact CD1-CG2 4.48Å; I117-V132 HydrophobicContact CG1-CG2 4.21Å; C119-V132 VanDerWaalsContact SG-CG2 3.57Å; W127-V132 HydrophobicContact CB-CG2 3.6Å; W127-V132 HydrophobicContact CG-CG2 4.48Å; R128-V132 PolarHBondContact O-N 3Å; L129-V132 WeakPolarHBondContact O-CB 3.22Å; L129-V132 PolarHBondContact O-N 3.44Å; D130-V132 VanDerWaalsContact C-N 3.31Å; V132-I135 PolarHBondContact O-N 2.99Å; V132-L136 HydrophobicContact CG1-CD1 3.69Å; V132-L136 HydrophobicContact CG1-CG 4.04Å; V132-L136 VanDerWaalsContact O-CB 3.25Å; V132-L136 WeakPolarHBondContact O-CB 3.28Å; V132-L136 WeakPolarHBondContact O-CG 3.39Å; V132-L136 PolarHBondContact O-N 2.8Å
133M98.1Very high93.9Very high0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-62.9-43.1175.1-69.3-69.8-147.300113.3L79 I83 F91 L129 D130 L131 F137 V163 P165 I168L79-M133 HydrophobicContact CD1-CE 3.73Å; L79-M133 HydrophobicContact CD1-SD 3.96Å; L79-M133 HydrophobicContact CD2-CE 4.22Å; L79-M133 HydrophobicContact CD2-SD 3.94Å; L79-M133 HydrophobicContact CG-CE 4.25Å; L79-M133 HydrophobicContact CG-SD 4.47Å; I83-M133 HydrophobicContact CD1-CE 3.92Å; I83-M133 HydrophobicContact CG1-CE 4.39Å; F91-M133 HydrophobicContact CD2-CE 4.41Å; F91-M133 HydrophobicContact CE1-CE 4.24Å; F91-M133 HydrophobicContact CE2-CE 3.57Å; F91-M133 HydrophobicContact CE2-SD 3.94Å; F91-M133 HydrophobicContact CZ-CE 3.47Å; F91-M133 VanDerWaalsContact CZ-CE 3.47Å; F91-M133 HydrophobicContact CZ-SD 3.61Å; L129-M133 VanDerWaalsContact O-CG 3.32Å; L129-M133 WeakPolarHBondContact O-CG 3.34Å; L129-M133 PolarHBondContact O-N 2.86Å; D130-M133 PolarHBondContact O-N 2.79Å; L131-M133 VanDerWaalsContact C-N 3.31Å; L131-M133 PolarHBondContact O-N 3.4Å; M133-F137 WeakPolarHBondContact O-CD2 3.46Å; M133-F137 PolarHBondContact O-N 3.17Å; M133-F137 HydrophobicContact SD-CD2 4.06Å; M133-F137 HydrophobicContact SD-CE2 3.78Å; M133-V163 HydrophobicContact CE-CB 3.75Å; M133-V163 HydrophobicContact CE-CG2 3.6Å; M133-V163 WeakPolarHBondContact CE-O 3.45Å; M133-V163 HydrophobicContact CG-CB 4.13Å; M133-V163 VanDerWaalsContact CG-O 3.24Å; M133-V163 WeakPolarHBondContact CG-O 3.35Å; M133-P165 HydrophobicContact CB-CG 4.26Å; M133-I168 HydrophobicContact CB-CD1 4.43Å
134V98.1Very high94.6Very high1 Ų129.6 Ų29.61%0.00615%0.15CC..Iπ-helixtrans-67.2-44.2177.4171.20000111.1D130 L131 K138 G139 I140 L142 L150 I168 V170D130-V134 WeakPolarHBondContact O-CG2 3.36Å; D130-V134 PolarHBondContact O-N 3.22Å; L131-V134 PolarHBondContact O-N 2.91Å; V134-K138 HydrophobicContact CG1-CB 4.44Å; V134-K138 CarbonylContact O-C 3.59Å; V134-K138 WeakPolarHBondContact O-CA 3.49Å; V134-K138 WeakPolarHBondContact O-CB 3.39Å; V134-K138 PolarHBondContact O-N 2.64Å; V134-G139 PolarHBondContact O-N 2.67Å; V134-G139 VanDerWaalsContact O-N 3.16Å; V134-I140 HydrophobicContact CG1-CB 3.91Å; V134-I140 HydrophobicContact CG1-CD1 4.01Å; V134-I140 HydrophobicContact CG1-CG1 4.25Å; V134-L142 HydrophobicContact CB-CD1 4.16Å; V134-L142 HydrophobicContact CG1-CD1 3.67Å; V134-L142 HydrophobicContact CG1-CG 4.44Å; V134-L150 HydrophobicContact CG2-CD1 4.32Å; V134-L150 HydrophobicContact CG2-CD2 4.16Å; V134-I168 HydrophobicContact CG2-CB 4.08Å; V134-I168 HydrophobicContact CG2-CG2 3.44Å; V134-I168 VanDerWaalsContact CG2-CG2 3.44Å; V134-V170 HydrophobicContact CG1-CG2 4.25Å
135I97.9Very high95.8Very high0 Ų028.9 Ų28.90%015%0.149CC..Iπ-helixtrans-62.9-45.6176.4-64.6160.2000110.8A27 F31 W127 L131 V132 G139 I140 L142A27-I135 HydrophobicContact CB-CG2 3.87Å; F31-I135 HydrophobicContact CD2-CG2 4.27Å; F31-I135 HydrophobicContact CE1-CD1 3.74Å; F31-I135 HydrophobicContact CE2-CB 4.2Å; F31-I135 HydrophobicContact CE2-CG2 3.57Å; F31-I135 HydrophobicContact CZ-CB 3.96Å; F31-I135 HydrophobicContact CZ-CD1 3.6Å; F31-I135 HydrophobicContact CZ-CG1 4.38Å; F31-I135 HydrophobicContact CZ-CG2 3.72Å; W127-I135 HydrophobicContact CE3-CD1 4.25Å; W127-I135 HydrophobicContact CZ3-CD1 3.89Å; L131-I135 WeakPolarHBondContact O-CD1 3.36Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.4Å; L131-I135 PolarHBondContact O-N 3.34Å; V132-I135 PolarHBondContact O-N 2.99Å; I135-G139 WeakPolarHBondContact O-CA 3.41Å; I135-G139 PolarHBondContact O-N 3.4Å; I135-I140 WeakPolarHBondContact CG1-O 3.47Å; I135-L142 HydrophobicContact CD1-CB 4.36Å; I135-L142 HydrophobicContact CG1-CB 4.27Å
136L98.1Very high96.1Very high1 Ų127.1 Ų27.11%0.00514%0.143CC..Iπ-helixtrans-68.2-48.4-177.2-75.7175.3000113.5V23 R24 A27 W71 L75 L79 V132V23-L136 CarbonylContact C-O 3.55Å; V23-L136 WeakPolarHBondContact CA-O 3.19Å; V23-L136 HydrophobicContact CG1-CD2 3.64Å; V23-L136 HydrophobicContact CG2-CD2 4.33Å; R24-L136 WeakPolarHBondContact CG-O 3.45Å; R24-L136 PolarHBondContact N-O 3.48Å; A27-L136 HydrophobicContact CB-CD2 3.9Å; W71-L136 HydrophobicContact CH2-CD2 3.98Å; W71-L136 HydrophobicContact CZ3-CD2 4.45Å; L75-L136 HydrophobicContact CD2-CD1 4.2Å; L75-L136 HydrophobicContact CD2-CD2 3.98Å; L75-L136 HydrophobicContact CG-CD1 4.37Å; L79-L136 HydrophobicContact CD2-CD1 4.3Å; V132-L136 HydrophobicContact CG1-CD1 3.69Å; V132-L136 HydrophobicContact CG1-CG 4.04Å; V132-L136 VanDerWaalsContact O-CB 3.25Å; V132-L136 WeakPolarHBondContact O-CB 3.28Å; V132-L136 WeakPolarHBondContact O-CG 3.39Å; V132-L136 PolarHBondContact O-N 2.8Å
137F97.8Very high96.1Very high14 Ų1425 Ų256%0.06113%0.133CC..Iπ-helixtrans-103.9-28.1-167.3-62.2-74.4000113.8L19 H22 V23 R24 L76 L79 F91 V95 M133 P165L19-F137 HydrophobicContact CD2-CE1 4.25Å; H22-F137 HydrophobicContact CB-CD1 4.13Å; H22-F137 HydrophobicContact CB-CE1 4.23Å; H22-F137 WeakPolarHBondContact O-CD1 3.32Å; V23-F137 HydrophobicContact CG2-CE1 4.04Å; V23-F137 HydrophobicContact CG2-CZ 4.29Å; R24-F137 PolarHBondContact NE-O 2.69Å; L76-F137 HydrophobicContact CD2-CZ 3.99Å; L79-F137 HydrophobicContact CD2-CE2 4.03Å; L79-F137 HydrophobicContact CD2-CZ 4.27Å; F91-F137 HydrophobicContact CE1-CE2 4.46Å; F91-F137 HydrophobicContact CE1-CZ 4.33Å; F91-F137 HydrophobicContact CZ-CD2 4.38Å; F91-F137 AromaticContact CZ-CE2 3.7Å; F91-F137 HydrophobicContact CZ-CE2 3.7Å; F91-F137 AromaticContact CZ-CZ 3.94Å; F91-F137 HydrophobicContact CZ-CZ 3.94Å; V95-F137 HydrophobicContact CG1-CD1 3.68Å; V95-F137 HydrophobicContact CG1-CE1 3.85Å; V95-F137 HydrophobicContact CG1-CG 4.47Å; M133-F137 WeakPolarHBondContact O-CD2 3.46Å; M133-F137 PolarHBondContact O-N 3.17Å; M133-F137 HydrophobicContact SD-CD2 4.06Å; M133-F137 HydrophobicContact SD-CE2 3.78Å; F137-P165 HydrophobicContact CB-CB 4.15Å; F137-P165 HydrophobicContact CB-CG 3.89Å; F137-P165 HydrophobicContact CD2-CG 3.81Å; F137-P165 HydrophobicContact CG-CG 4.07Å
138K96.6Very high96Very high72 Ų7231.1 Ų31.131%0.31316%0.162SC..Iπ-helixtrans-98.2-13.5174.5-63.5-171.9167.1-179.70113.8V134 I140 P165 I168V134-K138 HydrophobicContact CG1-CB 4.44Å; V134-K138 CarbonylContact O-C 3.59Å; V134-K138 WeakPolarHBondContact O-CA 3.49Å; V134-K138 WeakPolarHBondContact O-CB 3.39Å; V134-K138 PolarHBondContact O-N 2.64Å; K138-I140 HydrophobicContact CB-CD1 4.18Å; K138-I140 HydrophobicContact CB-CG1 4.07Å; K138-I140 PolarHBondContact O-N 3.44Å; K138-P165 WeakPolarHBondContact CE-O 3.1Å; K138-P165 PolarHBondContact NZ-O 2.9Å; K138-I168 PolarHBondContact NZ-O 3.5Å
139G96.2Very high96Very high1 Ų131.2 Ų31.21%0.0116%0.163CC..  trans70.216.1176.400000114.7V134 I135 S227V134-G139 PolarHBondContact O-N 2.67Å; V134-G139 VanDerWaalsContact O-N 3.16Å; I135-G139 WeakPolarHBondContact O-CA 3.41Å; I135-G139 PolarHBondContact O-N 3.4Å; G139-S227 VanDerWaalsContact O-CB 3.28Å; G139-S227 WeakPolarHBondContact O-CB 3.44Å
140I95.6Very high95.9Very high62 Ų6232 Ų3232%0.31817%0.167SC..  trans-83.4122.3-179.2-52.9176.9000108.7V134 I135 K138 L142 V170V134-I140 HydrophobicContact CG1-CB 3.91Å; V134-I140 HydrophobicContact CG1-CD1 4.01Å; V134-I140 HydrophobicContact CG1-CG1 4.25Å; I135-I140 WeakPolarHBondContact CG1-O 3.47Å; K138-I140 HydrophobicContact CB-CD1 4.18Å; K138-I140 HydrophobicContact CB-CG1 4.07Å; K138-I140 PolarHBondContact O-N 3.44Å; I140-L142 VanDerWaalsContact C-N 3.33Å; I140-L142 HydrophobicContact CG2-CD2 3.96Å; I140-L142 HydrophobicContact CG2-CG 4.07Å; I140-L142 PolarHBondContact O-N 2.86Å; I140-V170 HydrophobicContact CD1-CG2 3.85Å
141P94.3Very high95.9Very high36 Ų3635.4 Ų35.423%0.23419%0.187CC..  trans-79.973.6-174.135.1-39.2000112I26 W30 L223I26-P141 HydrophobicContact CD1-CB 4.1Å; I26-P141 HydrophobicContact CD1-CG 4.39Å; W30-P141 HydrophobicContact CD2-CB 3.61Å; W30-P141 HydrophobicContact CE3-CB 3.81Å; W30-P141 HydrophobicContact CG-CB 4.12Å; W30-P141 HydrophobicContact CH2-CB 4.07Å; W30-P141 HydrophobicContact CZ2-CB 3.87Å; W30-P141 WeakPolarHBondContact CZ2-O 3.28Å; W30-P141 HydrophobicContact CZ3-CB 4.04Å; P141-L223 HydrophobicContact CG-CD1 3.83Å; P141-L223 HydrophobicContact CG-CD2 4.27Å
142L94.8Very high95.8Very high9 Ų937.2 Ų37.25%0.04720%0.195CC..  trans-79.7139.9178.7-62.4177.4000112.1W30 W127 L131 V134 I135 I140 D146 L150 V170W30-L142 PolarHBondContact NE1-O 3.37Å; W127-L142 WeakPolarHBondContact CZ3-O 3.44Å; L131-L142 HydrophobicContact CD2-CB 4.09Å; L131-L142 HydrophobicContact CD2-CD1 3.8Å; V134-L142 HydrophobicContact CB-CD1 4.16Å; V134-L142 HydrophobicContact CG1-CD1 3.67Å; V134-L142 HydrophobicContact CG1-CG 4.44Å; I135-L142 HydrophobicContact CD1-CB 4.36Å; I135-L142 HydrophobicContact CG1-CB 4.27Å; I140-L142 VanDerWaalsContact C-N 3.33Å; I140-L142 HydrophobicContact CG2-CD2 3.96Å; I140-L142 HydrophobicContact CG2-CG 4.07Å; I140-L142 PolarHBondContact O-N 2.86Å; L142-D146 HydrophobicContact CB-CB 4.32Å; L142-D146 HydrophobicContact CD2-CB 4.22Å; L142-L150 HydrophobicContact CD1-CD2 3.61Å; L142-L150 HydrophobicContact CD1-CG 4.46Å; L142-V170 HydrophobicContact CD1-CG2 4.26Å; L142-V170 HydrophobicContact CD2-CG1 4.38Å; L142-V170 HydrophobicContact CD2-CG2 4.49Å
143E92.8Very high95.6Very high78 Ų7838.4 Ų38.436%0.36420%0.204SC..  trans-75.7162.7169.8-63.3-139.9136.300111.5W30 Q34 T145 D146W30-E143 HydrophobicContact CZ2-CG 4.17Å; Q34-E143 PolarHBondContact NE2-OE1 2.96Å; E143-T145 PolarHBondContact O-N 3.14Å; E143-D146 PolarHBondContact N-OD2 2.93Å; E143-D146 PolarHBondContact O-N 2.9Å
144S91.4Very high95.4Very high38 Ų3844.5 Ų44.527%0.26624%0.243SC..THydrogen-bonded Turntrans-68.8-0.8-179.3720000114.9K125 W127K125-S144 VanDerWaalsContact CE-CB 3.44Å; K125-S144 WeakPolarHBondContact CE-OG 3.49Å; K125-S144 PolarHBondContact NZ-OG 3.05Å; W127-S144 VanDerWaalsContact CZ3-CA 3.5Å; W127-S144 VanDerWaalsContact CZ3-N 3.34Å
145T93.7Very high95.1Very high90 Ų9051.9 Ų51.955%0.55228%0.277SS*.THydrogen-bonded Turntrans-109.8-13.4-178.5300000113.4E143 G147E143-T145 PolarHBondContact O-N 3.14Å; T145-G147 PolarHBondContact O-N 3.14Å
146D94.8Very high95Very high31 Ų3152.3 Ų52.317%0.16628%0.28CS..  trans-73.842.3179.6-67.7-45.3000112.4L131 L142 E143 R149L131-D146 HydrophobicContact CD2-CB 4.43Å; L142-D146 HydrophobicContact CB-CB 4.32Å; L142-D146 HydrophobicContact CD2-CB 4.22Å; E143-D146 PolarHBondContact N-OD2 2.93Å; E143-D146 PolarHBondContact O-N 2.9Å; D146-R149 HydrophobicContact CB-CB 4.24Å; D146-R149 HydrophobicContact CB-CG 4.38Å; D146-R149 WeakPolarHBondContact OD1-CD 3.47Å; D146-R149 IonicContact OD1-NE 2.63Å; D146-R149 PolarHBondContact OD1-NE 3.28Å
147G94.3Very high95Very high16 Ų1657.6 Ų57.617%0.16531%0.313CS..SBendtrans-71.1-46.9-169.600000112R128 T145 L150R128-G147 VanDerWaalsContact CZ-O 3.24Å; R128-G147 PolarHBondContact NH1-O 3.49Å; R128-G147 PolarHBondContact NH2-O 3.41Å; T145-G147 PolarHBondContact O-N 3.14Å; G147-L150 PolarHBondContact O-N 2.86Å
148E93.8Very high94.9Very high137 Ų13760.3 Ų60.364%0.6433%0.328SS*.THydrogen-bonded Turntrans-70.6-23.8175.467.2-55.3120.400113.9L150E148-L150 PolarHBondContact O-N 3.39Å
149R95.3Very high94.8Very high65 Ų6560.2 Ų60.225%0.24534%0.335CS..THydrogen-bonded Turntrans-65.8-13.8171.4-72.6-171.9174-90.312.7114.1D146 V170 S171 D176D146-R149 HydrophobicContact CB-CB 4.24Å; D146-R149 HydrophobicContact CB-CG 4.38Å; D146-R149 WeakPolarHBondContact OD1-CD 3.47Å; D146-R149 IonicContact OD1-NE 2.63Å; D146-R149 PolarHBondContact OD1-NE 3.28Å; R149-V170 HydrophobicContact CB-CG1 4.38Å; R149-V170 CarbonylContact O-C 3.58Å; R149-V170 WeakPolarHBondContact O-CA 3.38Å; R149-S171 WeakPolarHBondContact CA-OG 3.37Å; R149-S171 PolarHBondContact NH1-O 3.2Å; R149-S171 PolarHBondContact O-N 3.07Å; R149-S171 PolarHBondContact O-OG 3.46Å; R149-D176 IonicContact CZ-OD1 2.72Å; R149-D176 IonicContact CZ-OD2 2.9Å; R149-D176 IonicContact NH1-OD1 3.18Å; R149-D176 PolarHBondContact NH1-OD1 3.48Å; R149-D176 IonicContact NH1-OD2 2.9Å; R149-D176 PolarHBondContact NH1-OD2 3.39Å; R149-D176 IonicContact NH2-OD1 3.94Å; R149-D176 PolarHBondContact NH2-OD1 2.9Å; R149-D176 IonicContact NH2-OD2 2.64Å
150L96.8Very high94.8Very high18 Ų1863.6 Ų63.69%0.09436%0.362CS..EExtended strand (participates in β ladder)trans-90.1111.5177.8-64.4-163.5000112.2R128 D130 L131 V134 L142 G147 E148 I168 T169 V170R128-L150 VanDerWaalsContact NH2-CD1 3.27Å; D130-L150 HydrophobicContact CB-CD1 4.09Å; L131-L150 HydrophobicContact CD2-CD1 3.89Å; L131-L150 HydrophobicContact CD2-CG 4.08Å; L131-L150 HydrophobicContact CG-CD1 4.21Å; V134-L150 HydrophobicContact CG2-CD1 4.32Å; V134-L150 HydrophobicContact CG2-CD2 4.16Å; L142-L150 HydrophobicContact CD1-CD2 3.61Å; L142-L150 HydrophobicContact CD1-CG 4.46Å; G147-L150 PolarHBondContact O-N 2.86Å; E148-L150 PolarHBondContact O-N 3.39Å; L150-I168 HydrophobicContact CB-CG2 4.2Å; L150-I168 HydrophobicContact CD1-CG2 3.87Å; L150-I168 HydrophobicContact CD2-CG2 4Å; L150-I168 HydrophobicContact CG-CG2 4.26Å; L150-T169 WeakPolarHBondContact CA-O 3.44Å; L150-V170 HydrophobicContact CD2-CG2 3.94Å
151V96.9Very high94.9Very high71 Ų7162 Ų6243%0.4336%0.355SS..EExtended strand (participates in β ladder)trans-97.7149.2173.1179.70000109.3T169V151-T169 PolarHBondContact N-O 2.81Å; V151-T169 PolarHBondContact O-N 2.85Å; V151-T169 PolarHBondContact O-OG1 2.88Å
152K96.4Very high95.1Very high41 Ų4160.3 Ų60.318%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-97.7141.2174.5-55.3-67.9177.5177.90109.3D130 C156 P159 C162 H167 I168D130-K152 IonicContact OD2-NZ 3.9Å; D130-K152 PolarHBondContact OD2-NZ 3.38Å; K152-C156 HydrophobicContact CB-CB 4.34Å; K152-P159 HydrophobicContact CB-CB 3.99Å; K152-P159 WeakPolarHBondContact CE-O 3.31Å; K152-P159 HydrophobicContact CG-CB 3.79Å; K152-C162 PolarHBondContact NZ-O 3.29Å; K152-H167 CarbonylContact C-O 3.54Å; K152-H167 VanDerWaalsContact CA-O 3.3Å; K152-H167 WeakPolarHBondContact CA-O 3.17Å; K152-I168 HydrophobicContact CD-CG1 4.14Å
153S94.3Very high95.2Very high26 Ų2659.9 Ų59.918%0.18234%0.341CS..PPolyproline II helixtrans-58.1144.3176.9174.10000111.5H155 C156 H167S153-H155 PolarHBondContact O-N 2.82Å; S153-H155 VanDerWaalsContact O-N 3.11Å; S153-H155 PolarHBondContact OG-N 3.03Å; S153-C156 WeakPolarHBondContact O-CB 3.42Å; S153-C156 PolarHBondContact O-N 3.41Å; S153-H167 PolarHBondContact N-O 3.28Å
154P93.4Very high95.4Very high128 Ų12856.2 Ų56.283%0.83132%0.324SS*.THydrogen-bonded Turntrans-55-27173.3-2735.9000114.1C156P154-C156 PolarHBondContact O-N 3Å
155H92.1Very high95.7Very high155 Ų15554.5 Ų54.572%0.71831%0.312SS*.THydrogen-bonded Turntrans-78.5-3176.2-50.2-64.7000113.5S153 T157S153-H155 PolarHBondContact O-N 2.82Å; S153-H155 VanDerWaalsContact O-N 3.11Å; S153-H155 PolarHBondContact OG-N 3.03Å; H155-T157 PolarHBondContact O-N 2.85Å
156C96.6Very high95.8Very high9 Ų954.5 Ų54.56%0.06131%0.306CS..  trans-85.393.7179.6-179.20000111.3K152 S153 P154 N158 P159 C162 H167K152-C156 HydrophobicContact CB-CB 4.34Å; S153-C156 WeakPolarHBondContact O-CB 3.42Å; S153-C156 PolarHBondContact O-N 3.41Å; P154-C156 PolarHBondContact O-N 3Å; C156-N158 PolarHBondContact O-N 3.33Å; C156-N158 VanDerWaalsContact O-N 3.09Å; C156-P159 WeakPolarHBondContact O-CD 3.17Å; C156-C162 WeakPolarHBondContact SG-CB 3.4Å; C156-H167 HydrophobicContact CB-CB 4.06Å
157T96.7Very high96Very high113 Ų11353.7 Ų53.769%0.69330%0.301SS*.SBendtrans-61.7-16.117857.50000115H155H155-T157 PolarHBondContact O-N 2.85Å
158N96.1Very high96.1Very high70 Ų7052.9 Ų52.937%0.37429%0.293SS..  trans-129.456.3-173.1-79.5-96.4000113C103 L105 C156 A160 L161 C162C103-N158 HydrophobicContact CB-CB 4.43Å; L105-N158 HydrophobicContact CD2-CB 3.49Å; L105-N158 VanDerWaalsContact CD2-CB 3.49Å; C156-N158 PolarHBondContact O-N 3.33Å; C156-N158 VanDerWaalsContact O-N 3.09Å; N158-A160 PolarHBondContact O-N 2.7Å; N158-A160 VanDerWaalsContact O-N 3.11Å; N158-L161 PolarHBondContact O-N 3.2Å; N158-C162 WeakPolarHBondContact O-CB 3.36Å; N158-C162 PolarHBondContact O-N 2.95Å
159P95.6Very high96.2Very high71 Ų7149.4 Ų49.446%0.46128%0.281SS..THydrogen-bonded Turntrans-62-27-168.126.6-35.1000114.2K152 C156 L161K152-P159 HydrophobicContact CB-CB 3.99Å; K152-P159 WeakPolarHBondContact CE-O 3.31Å; K152-P159 HydrophobicContact CG-CB 3.79Å; C156-P159 WeakPolarHBondContact O-CD 3.17Å; P159-L161 PolarHBondContact O-N 3.26Å
160A95.7Very high96.2Very high71 Ų7148.3 Ų48.359%0.58728%0.281SS*.THydrogen-bonded Turntrans-73.7-19.4-177.500000115.1I114 N158I114-A160 WeakPolarHBondContact CG1-O 3.37Å; N158-A160 PolarHBondContact O-N 2.7Å; N158-A160 VanDerWaalsContact O-N 3.11Å
161L97.6Very high96.1Very high30 Ų3049.1 Ų49.116%0.15729%0.289CS..THydrogen-bonded Turntrans-135.6-3.6-179.4-69.9176.4000114S106 P108 N158 P159 V163S106-L161 PolarHBondContact N-O 3.42Å; S106-L161 PolarHBondContact OG-O 2.83Å; P108-L161 HydrophobicContact CB-CD1 4.2Å; P108-L161 HydrophobicContact CB-CD2 3.96Å; N158-L161 PolarHBondContact O-N 3.2Å; P159-L161 PolarHBondContact O-N 3.26Å; L161-V163 PolarHBondContact O-N 3.14Å
162C97.9Very high95.9Very high0 Ų050.7 Ų50.70%030%0.298CS..BIsolated β-bridgetrans-72.9126.9179.2-171.90000111.9V104 L105 K152 C156 N158V104-C162 WeakPolarHBondContact O-CA 3.46Å; L105-C162 HydrophobicContact CD2-CB 4.22Å; K152-C162 PolarHBondContact NZ-O 3.29Å; C156-C162 WeakPolarHBondContact SG-CB 3.4Å; N158-C162 WeakPolarHBondContact O-CB 3.36Å; N158-C162 PolarHBondContact O-N 2.95Å
163V97.8Very high95.7Very high0 Ų054.9 Ų54.90%032%0.316CS..  trans-115.75.7179.8-680000113.1I83 V104 I114 L129 M133 L161 P165I83-V163 HydrophobicContact CG1-CG2 4.39Å; V104-V163 HydrophobicContact CG1-CG2 4.1Å; V104-V163 PolarHBondContact O-N 3.07Å; I114-V163 HydrophobicContact CG2-CG1 4.19Å; L129-V163 HydrophobicContact CB-CG1 4.24Å; L129-V163 HydrophobicContact CD2-CG1 4.05Å; L129-V163 HydrophobicContact CG-CG1 4.06Å; M133-V163 HydrophobicContact CE-CB 3.75Å; M133-V163 HydrophobicContact CE-CG2 3.6Å; M133-V163 WeakPolarHBondContact CE-O 3.45Å; M133-V163 HydrophobicContact CG-CB 4.13Å; M133-V163 VanDerWaalsContact CG-O 3.24Å; M133-V163 WeakPolarHBondContact CG-O 3.35Å; L161-V163 PolarHBondContact O-N 3.14Å; V163-P165 WeakPolarHBondContact O-CD 3.41Å
164Q97.4Very high95.6Very high0 Ų061.3 Ų61.30%034%0.343CS..  trans-61.6119.6177.3174.264.9-1400111.3S94 C102 V104 H166 H167 I168S94-Q164 PolarHBondContact OG-NE2 3.16Å; C102-Q164 WeakPolarHBondContact O-CG 3.49Å; V104-Q164 HydrophobicContact CB-CB 4.16Å; V104-Q164 HydrophobicContact CG2-CB 4.39Å; Q164-H166 VanDerWaalsContact C-N 3.25Å; Q164-H166 HydrophobicContact CG-CB 4.14Å; Q164-H166 PolarHBondContact NE2-ND1 2.77Å; Q164-H166 PolarHBondContact O-N 3.26Å; Q164-H166 VanDerWaalsContact O-N 3.17Å; Q164-H167 HydrophobicContact CB-CB 4.09Å; Q164-H167 HydrophobicContact CG-CB 4.27Å; Q164-H167 WeakPolarHBondContact O-CA 3.43Å; Q164-H167 PolarHBondContact O-N 3.29Å; Q164-I168 WeakPolarHBondContact O-CD1 3.44Å; Q164-I168 WeakPolarHBondContact O-CG1 3.41Å; Q164-I168 PolarHBondContact O-N 2.94Å
165P96.9Very high95.5Very high3 Ų360.2 Ų60.22%0.01933%0.33CS..G310 helixtrans-54.9-38.5-177.4-26.931.7000113.6F91 M133 F137 K138 V163 H167 I168F91-P165 HydrophobicContact CE2-CG 4.31Å; M133-P165 HydrophobicContact CB-CG 4.26Å; F137-P165 HydrophobicContact CB-CB 4.15Å; F137-P165 HydrophobicContact CB-CG 3.89Å; F137-P165 HydrophobicContact CD2-CG 3.81Å; F137-P165 HydrophobicContact CG-CG 4.07Å; K138-P165 WeakPolarHBondContact CE-O 3.1Å; K138-P165 PolarHBondContact NZ-O 2.9Å; V163-P165 WeakPolarHBondContact O-CD 3.41Å; P165-H167 VanDerWaalsContact C-N 3.26Å; P165-H167 PolarHBondContact O-N 3.28Å; P165-I168 PolarHBondContact O-N 3.31Å; P165-I168 VanDerWaalsContact O-O 3.07Å
166H96.3Very high95.3Very high90 Ų9054.7 Ų54.742%0.41731%0.306SS..G310 helixtrans-65.4-26.2177-61.9110.1000113.6S94 P101 Q164 I168S94-H166 PolarHBondContact O-CE1 3.39Å; P101-H166 HydrophobicContact CB-CB 3.67Å; P101-H166 HydrophobicContact CG-CB 3.64Å; Q164-H166 VanDerWaalsContact C-N 3.25Å; Q164-H166 HydrophobicContact CG-CB 4.14Å; Q164-H166 PolarHBondContact NE2-ND1 2.77Å; Q164-H166 PolarHBondContact O-N 3.26Å; Q164-H166 VanDerWaalsContact O-N 3.17Å; H166-I168 VanDerWaalsContact C-N 3.31Å
167H97.6Very high95Very high13 Ų1359.8 Ų59.86%0.0633%0.332CS..G310 helixtrans-88.93.9176.9-70-165.8000113C103 K152 S153 C156 Q164 P165C103-H167 PolarHBondContact N-CE1 3.24Å; C103-H167 PolarHBondContact SG-ND1 3.08Å; C103-H167 VanDerWaalsContact SG-ND1 3.42Å; K152-H167 CarbonylContact C-O 3.54Å; K152-H167 VanDerWaalsContact CA-O 3.3Å; K152-H167 WeakPolarHBondContact CA-O 3.17Å; S153-H167 PolarHBondContact N-O 3.28Å; C156-H167 HydrophobicContact CB-CB 4.06Å; Q164-H167 HydrophobicContact CB-CB 4.09Å; Q164-H167 HydrophobicContact CG-CB 4.27Å; Q164-H167 WeakPolarHBondContact O-CA 3.43Å; Q164-H167 PolarHBondContact O-N 3.29Å; P165-H167 VanDerWaalsContact C-N 3.26Å; P165-H167 PolarHBondContact O-N 3.28Å
168I97.8Very high94.7Very high0 Ų058.8 Ų58.80%032%0.318CS..EExtended strand (participates in β ladder)trans-120.4121.1-177.3-58.9157.6000109D130 M133 V134 K138 L150 K152 Q164 P165 H166D130-I168 HydrophobicContact CB-CD1 3.69Å; M133-I168 HydrophobicContact CB-CD1 4.43Å; V134-I168 HydrophobicContact CG2-CB 4.08Å; V134-I168 HydrophobicContact CG2-CG2 3.44Å; V134-I168 VanDerWaalsContact CG2-CG2 3.44Å; K138-I168 PolarHBondContact NZ-O 3.5Å; L150-I168 HydrophobicContact CB-CG2 4.2Å; L150-I168 HydrophobicContact CD1-CG2 3.87Å; L150-I168 HydrophobicContact CD2-CG2 4Å; L150-I168 HydrophobicContact CG-CG2 4.26Å; K152-I168 HydrophobicContact CD-CG1 4.14Å; Q164-I168 WeakPolarHBondContact O-CD1 3.44Å; Q164-I168 WeakPolarHBondContact O-CG1 3.41Å; Q164-I168 PolarHBondContact O-N 2.94Å; P165-I168 PolarHBondContact O-N 3.31Å; P165-I168 VanDerWaalsContact O-O 3.07Å; H166-I168 VanDerWaalsContact C-N 3.31Å
169T95.3Very high94.3Very high64 Ų6458.2 Ų58.239%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-112.5158.2174.451.40000110.3L150 V151L150-T169 WeakPolarHBondContact CA-O 3.44Å; V151-T169 PolarHBondContact N-O 2.81Å; V151-T169 PolarHBondContact O-N 2.85Å; V151-T169 PolarHBondContact O-OG1 2.88Å
170V95.8Very high93.7Very high41 Ų4157.5 Ų57.525%0.24832%0.315CS..EExtended strand (participates in β ladder)trans-101.5125.9171.9-177.30000107.4V134 I140 L142 R149 L150 V172V134-V170 HydrophobicContact CG1-CG2 4.25Å; I140-V170 HydrophobicContact CD1-CG2 3.85Å; L142-V170 HydrophobicContact CD1-CG2 4.26Å; L142-V170 HydrophobicContact CD2-CG1 4.38Å; L142-V170 HydrophobicContact CD2-CG2 4.49Å; R149-V170 HydrophobicContact CB-CG1 4.38Å; R149-V170 CarbonylContact O-C 3.58Å; R149-V170 WeakPolarHBondContact O-CA 3.38Å; L150-V170 HydrophobicContact CD2-CG2 3.94Å; V170-V172 PolarHBondContact O-N 2.84Å
171S94.9Very high93.2Very high36 Ų3660.8 Ų60.825%0.25231%0.313SS..PPolyproline II helixtrans-73.7122.5173.462.40000110.2R149R149-S171 WeakPolarHBondContact CA-OG 3.37Å; R149-S171 PolarHBondContact NH1-O 3.2Å; R149-S171 PolarHBondContact O-N 3.07Å; R149-S171 PolarHBondContact O-OG 3.46Å
172V92.3Very high92.4Very high103 Ų10360.3 Ų60.362%0.62431%0.309SS*.PPolyproline II helixtrans-96.6128.4171.9-178.50000107.5V170 D176 L177V170-V172 PolarHBondContact O-N 2.84Å; V172-D176 HydrophobicContact CG1-CB 3.66Å; V172-L177 HydrophobicContact CG1-CB 4.3Å
173K91.6Very high91.4Very high130 Ų13061.5 Ų61.557%0.56532%0.316SS*.PPolyproline II helixtrans-95.2170.8173.8-62.9-172.7177.3-175.20111L175 D176 L177K173-L175 VanDerWaalsContact C-N 3.25Å; K173-L175 PolarHBondContact O-N 2.99Å; K173-D176 WeakPolarHBondContact CB-OD2 3.37Å; K173-D176 PolarHBondContact N-OD2 3.49Å; K173-D176 WeakPolarHBondContact O-CB 3.41Å; K173-D176 PolarHBondContact O-N 3.04Å; K173-L177 PolarHBondContact O-N 3.12Å
174E93.4Very high90.2Very high160 Ų16068 Ų6875%0.74835%0.347SS*.Hα-helixtrans-55.1-41.5179-53.285.1168.100111.6L177 F178E174-L177 PolarHBondContact O-N 3.08Å; E174-F178 WeakPolarHBondContact O-CB 3.42Å; E174-F178 PolarHBondContact O-N 2.82Å
175L89.6Confident88.8Confident105 Ų10570 Ų7055%0.5536%0.358SS..Hα-helixtrans-64.7-41.5174.6178.762.1000112.6K173 L177 F178 L179K173-L175 VanDerWaalsContact C-N 3.25Å; K173-L175 PolarHBondContact O-N 2.99Å; L175-L177 VanDerWaalsContact C-N 3.29Å; L175-L177 PolarHBondContact O-N 3.15Å; L175-F178 PolarHBondContact O-N 3.3Å; L175-L179 HydrophobicContact CD1-CD1 4.02Å; L175-L179 HydrophobicContact CD1-CG 4.13Å; L175-L179 HydrophobicContact CG-CD1 3.99Å; L175-L179 WeakPolarHBondContact O-CB 3.41Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 3.5Å
176D89.8Confident87.4Confident40 Ų4072.4 Ų72.421%0.21437%0.368CS..Hα-helixtrans-65.3-36.8178.2-56.6-54.3000110.5R149 V172 K173 A180R149-D176 IonicContact CZ-OD1 2.72Å; R149-D176 IonicContact CZ-OD2 2.9Å; R149-D176 IonicContact NH1-OD1 3.18Å; R149-D176 PolarHBondContact NH1-OD1 3.48Å; R149-D176 IonicContact NH1-OD2 2.9Å; R149-D176 PolarHBondContact NH1-OD2 3.39Å; R149-D176 IonicContact NH2-OD1 3.94Å; R149-D176 PolarHBondContact NH2-OD1 2.9Å; R149-D176 IonicContact NH2-OD2 2.64Å; V172-D176 HydrophobicContact CG1-CB 3.66Å; K173-D176 WeakPolarHBondContact CB-OD2 3.37Å; K173-D176 PolarHBondContact N-OD2 3.49Å; K173-D176 WeakPolarHBondContact O-CB 3.41Å; K173-D176 PolarHBondContact O-N 3.04Å; D176-A180 WeakPolarHBondContact O-CB 3.41Å; D176-A180 PolarHBondContact O-N 2.81Å
177L90.1Very high85.7Confident115 Ų11570.9 Ų70.960%0.60236%0.363SS*.Hα-helixtrans-70.4-44.2176.6-18062.5000112.2V172 K173 E174 L175 A180 Y181V172-L177 HydrophobicContact CG1-CB 4.3Å; K173-L177 PolarHBondContact O-N 3.12Å; E174-L177 PolarHBondContact O-N 3.08Å; L175-L177 VanDerWaalsContact C-N 3.29Å; L175-L177 PolarHBondContact O-N 3.15Å; L177-A180 PolarHBondContact O-N 3.07Å; L177-Y181 PolarHBondContact O-N 2.83Å
178F89Confident84Confident92 Ų9273.7 Ų73.740%0.40438%0.384SS..Hα-helixtrans-60.1-45.2175.3176.9-93.2000111.4E174 L175 A180 Y181 Y182 L208 F212E174-F178 WeakPolarHBondContact O-CB 3.42Å; E174-F178 PolarHBondContact O-N 2.82Å; L175-F178 PolarHBondContact O-N 3.3Å; F178-A180 VanDerWaalsContact C-N 3.35Å; F178-A180 PolarHBondContact O-N 2.79Å; F178-Y181 PolarHBondContact O-N 2.86Å; F178-Y182 WeakPolarHBondContact O-CB 3.21Å; F178-Y182 PolarHBondContact O-N 3.06Å; F178-L208 HydrophobicContact CZ-CD1 4.46Å; F178-F212 HydrophobicContact CD1-CZ 4.4Å; F178-F212 AromaticContact CE1-CE2 3.82Å; F178-F212 HydrophobicContact CE1-CE2 3.82Å; F178-F212 AromaticContact CE1-CZ 3.78Å; F178-F212 HydrophobicContact CE1-CZ 3.78Å
179L87.8Confident82.1Confident58 Ų5879.1 Ų79.130%0.30441%0.41SS..Hα-helixtrans-64.9-36.6176.1-70.5170.8000112.4L175 V183 F212L175-L179 HydrophobicContact CD1-CD1 4.02Å; L175-L179 HydrophobicContact CD1-CG 4.13Å; L175-L179 HydrophobicContact CG-CD1 3.99Å; L175-L179 WeakPolarHBondContact O-CB 3.41Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 3.5Å; L179-V183 WeakPolarHBondContact O-CG2 3.2Å; L179-V183 PolarHBondContact O-N 2.96Å; L179-F212 HydrophobicContact CD2-CD1 3.75Å; L179-F212 HydrophobicContact CD2-CE1 3.91Å; L179-F212 HydrophobicContact CD2-CG 4.17Å; L179-F212 HydrophobicContact CD2-CZ 4.45Å
180A84.4Confident80.2Confident56 Ų5684.5 Ų84.546%0.46343%0.431SS..Hα-helixtrans-63.7-46.2174.500000112D176 L177 F178 Q184D176-A180 WeakPolarHBondContact O-CB 3.41Å; D176-A180 PolarHBondContact O-N 2.81Å; L177-A180 PolarHBondContact O-N 3.07Å; F178-A180 VanDerWaalsContact C-N 3.35Å; F178-A180 PolarHBondContact O-N 2.79Å; A180-Q184 WeakPolarHBondContact O-CB 3.46Å; A180-Q184 PolarHBondContact O-N 3.31Å; A180-Q184 VanDerWaalsContact O-N 3.07Å
181Y84.3Confident78.1Confident140 Ų14087.4 Ų87.455%0.54945%0.452SS..Hα-helixtrans-60.9-50175.1172.6-105.4000111.8L177 F178 V183 Q184 D185L177-Y181 PolarHBondContact O-N 2.83Å; F178-Y181 PolarHBondContact O-N 2.86Å; Y181-V183 PolarHBondContact O-N 2.98Å; Y181-Q184 PolarHBondContact O-N 3.01Å; Y181-Q184 VanDerWaalsContact O-N 3.17Å; Y181-D185 PolarHBondContact O-N 3.21Å
182Y81.1Confident75.6Confident20 Ų2088.3 Ų88.38%0.07847%0.467CS..Hα-helixtrans-58.5-44.9-178.8-177.1-93.1000112.8F178 D185 Q186 L208F178-Y182 WeakPolarHBondContact O-CB 3.21Å; F178-Y182 PolarHBondContact O-N 3.06Å; Y182-D185 PolarHBondContact O-N 3.09Å; Y182-Q186 HydrophobicContact CE1-CG 4.16Å; Y182-Q186 PolarHBondContact O-N 3.19Å; Y182-Q186 PolarHBondContact OH-NE2 3.25Å; Y182-L208 HydrophobicContact CE2-CB 3.93Å; Y182-L208 HydrophobicContact CE2-CD1 4.26Å
183V77.4Confident73.2Confident25 Ų2588.4 Ų88.415%0.15247%0.473CS..Hα-helixtrans-72.7-30.1179.3179.60000112L179 Y181 Q186 D187 V220L179-V183 WeakPolarHBondContact O-CG2 3.2Å; L179-V183 PolarHBondContact O-N 2.96Å; Y181-V183 PolarHBondContact O-N 2.98Å; V183-Q186 PolarHBondContact O-N 2.89Å; V183-D187 PolarHBondContact O-N 3.23Å; V183-D187 VanDerWaalsContact O-N 3.08Å; V183-V220 HydrophobicContact CG1-CB 4.42Å; V183-V220 HydrophobicContact CG1-CG2 3.54Å
184Q71.1Confident71Confident137 Ų13789 Ų8964%0.6449%0.49SS*.Hα-helixtrans-68.6-34.6174.1-175.8172.3-8.200112.2A180 Y181 S188A180-Q184 WeakPolarHBondContact O-CB 3.46Å; A180-Q184 PolarHBondContact O-N 3.31Å; A180-Q184 VanDerWaalsContact O-N 3.07Å; Y181-Q184 PolarHBondContact O-N 3.01Å; Y181-Q184 VanDerWaalsContact O-N 3.17Å; Q184-S188 WeakPolarHBondContact O-CB 3.45Å; Q184-S188 PolarHBondContact O-N 3.47Å; Q184-S188 VanDerWaalsContact O-N 3.13Å; Q184-S188 PolarHBondContact O-OG 2.92Å
185D67.9Low68.7Low43 Ų4385.7 Ų85.723%0.2348%0.484CS..Hα-helixtrans-67.8-43.9174.1-165.178.9000111.5Y181 Y182 D187 S188 Q189 L204Y181-D185 PolarHBondContact O-N 3.21Å; Y182-D185 PolarHBondContact O-N 3.09Å; D185-D187 PolarHBondContact O-N 2.99Å; D185-S188 CarbonylContact O-C 3.54Å; D185-S188 WeakPolarHBondContact O-CA 3.39Å; D185-S188 WeakPolarHBondContact O-CB 3.27Å; D185-S188 PolarHBondContact O-N 3.44Å; D185-Q189 PolarHBondContact O-N 3.21Å; D185-Q189 PolarHBondContact OD2-NE2 3.4Å; D185-L204 HydrophobicContact CB-CD1 4.13Å; D185-L204 WeakPolarHBondContact OD2-CD1 3.15Å
186Q67.9Low66.4Low52 Ų5287.7 Ų87.724%0.24350%0.496CS..Hα-helixtrans-58.1-48.7174.3-71.8-159.3-29.700113.1Y182 V183 S188 Q189 Q190 E209Y182-Q186 HydrophobicContact CE1-CG 4.16Å; Y182-Q186 PolarHBondContact O-N 3.19Å; Y182-Q186 PolarHBondContact OH-NE2 3.25Å; V183-Q186 PolarHBondContact O-N 2.89Å; Q186-S188 PolarHBondContact O-N 2.9Å; Q186-Q189 PolarHBondContact O-N 3.07Å; Q186-Q190 WeakPolarHBondContact O-CB 3.37Å; Q186-Q190 PolarHBondContact O-N 3.16Å; Q186-E209 PolarHBondContact NE2-OE1 3.23Å
187D60.8Low64.3Low58 Ų5893.7 Ų93.731%0.3153%0.528SS..Hα-helixtrans-61.5-29.9177.1-791.7000111V183 D185 S191V183-D187 PolarHBondContact O-N 3.23Å; V183-D187 VanDerWaalsContact O-N 3.08Å; D185-D187 PolarHBondContact O-N 2.99Å; D187-S191 PolarHBondContact O-N 3.4Å
188S61Low61.9Low72 Ų7295.9 Ų95.950%0.50354%0.535SS..Hα-helixtrans-77.7-38178.5-59.40000113.6Q184 D185 Q186Q184-S188 WeakPolarHBondContact O-CB 3.45Å; Q184-S188 PolarHBondContact O-N 3.47Å; Q184-S188 VanDerWaalsContact O-N 3.13Å; Q184-S188 PolarHBondContact O-OG 2.92Å; D185-S188 CarbonylContact O-C 3.54Å; D185-S188 WeakPolarHBondContact O-CA 3.39Å; D185-S188 WeakPolarHBondContact O-CB 3.27Å; D185-S188 PolarHBondContact O-N 3.44Å; Q186-S188 PolarHBondContact O-N 2.9Å
189Q58.8Low59.9Low115 Ų11597.9 Ų97.954%0.53756%0.557SS.*Hα-helixtrans-69.3-35.1173.6-67.1-168.544.100111.6D185 Q186D185-Q189 PolarHBondContact O-N 3.21Å; D185-Q189 PolarHBondContact OD2-NE2 3.4Å; Q186-Q189 PolarHBondContact O-N 3.07Å
190Q56Low57.9Low177 Ų17798.3 Ų98.383%0.82758%0.575SS**Hα-helixtrans-81.7-10.6-175.1-164155.891.100114.5Q186Q186-Q190 WeakPolarHBondContact O-CB 3.37Å; Q186-Q190 PolarHBondContact O-N 3.16Å
191S51.1Low56Low101 Ų101105.2 Ų105.271%0.70660%0.595SS**THydrogen-bonded Turntrans-97.34.8174.21090000114.4D187D187-S191 PolarHBondContact O-N 3.4Å
192G42.6Very low54Low55 Ų55104.8 Ų104.857%0.56761%0.607SS**  trans-80.6114.6177.600000112.4
193S41Very low52.6Low106 Ų106108.4 Ų108.474%0.74163%0.633SS**  trans-58.8141.3166.5-61.10000110.5S195S193-S195 VanDerWaalsContact C-N 3.34Å; S193-S195 PolarHBondContact O-N 3.13Å
194P46.4Very low51.4Low141 Ų141110.3 Ų110.392%0.91664%0.642SS**SBendtrans-73.584.8-178.130.4-35.5000111.1
195S45.6Very low50.4Low91 Ų91107.8 Ų107.864%0.63664%0.638SS**  trans-146.1133.6177.1-171.40000111S193S193-S195 VanDerWaalsContact C-N 3.34Å; S193-S195 PolarHBondContact O-N 3.13Å
196N40.8Very low49.7Very low148 Ų148111 Ų11179%0.79166%0.658SS**  trans67.7118.2-177.6-57.9-41000116.8E198N196-E198 PolarHBondContact O-N 3.12Å
197N44Very low49.1Very low166 Ų166117.8 Ų117.889%0.88868%0.683SS**  trans-76.8109.3169-62.9-52.8000109.5
198E40.2Very low49Very low161 Ų161117.4 Ų117.475%0.75268%0.681SS**  trans-12099.8171.4-93.8-71.7102.400109.5N196 G200N196-E198 PolarHBondContact O-N 3.12Å; E198-G200 PolarHBondContact O-N 2.84Å
199P48.6Very low48.8Very low134 Ų134119.3 Ų119.387%0.8768%0.682SS**THydrogen-bonded Turntrans-79.763.3-173.534.1-36.3000112
200G44.1Very low48.9Very low66 Ų66121.4 Ų121.468%0.6870%0.697SS**THydrogen-bonded Turntrans-140.9-13.6-175.700000116.7E198E198-G200 PolarHBondContact O-N 2.84Å
201K45.2Very low49.7Very low201 Ų201116 Ų11687%0.87468%0.679SS**  trans-96.1101.6176.4-67.7-179.9-176.41750110.1P203K201-P203 VanDerWaalsContact O-CD 3.31Å; K201-P203 WeakPolarHBondContact O-CD 3.42Å
202T43.3Very low50.6Low132 Ų132114.8 Ų114.881%0.8166%0.661SS**PPolyproline II helixtrans-57.6120.1165.245.80000109.3
203P51Low51.7Low95 Ų95118.7 Ų118.762%0.61767%0.667SS**PPolyproline II helixtrans-59.6141.4169.7-2032.8000109.4K201K201-P203 VanDerWaalsContact O-CD 3.31Å; K201-P203 WeakPolarHBondContact O-CD 3.42Å
204L51.7Low53Low66 Ų66118.2 Ų118.235%0.34665%0.652SS.*PPolyproline II helixtrans-56.2143.4166.1-71.1176.2000108.9D185 V206D185-L204 HydrophobicContact CB-CD1 4.13Å; D185-L204 WeakPolarHBondContact OD2-CD1 3.15Å; L204-V206 PolarHBondContact O-N 3.08Å
205P50.3Low53.7Low84 Ų84116.3 Ų116.355%0.54564%0.642SS.*PPolyproline II helixtrans-57.9117.9-171.7-26.635.1000112.4Y207 L208P205-Y207 PolarHBondContact O-N 2.73Å; P205-L208 PolarHBondContact O-N 3.1Å
206V53.6Low55Low110 Ų110114.6 Ų114.667%0.66764%0.638SS**G310 helixtrans-50.1-28.5-179.6-179.40000112.4L204 L208 E209L204-V206 PolarHBondContact O-N 3.08Å; V206-L208 PolarHBondContact O-N 2.72Å; V206-E209 PolarHBondContact O-N 2.73Å
207Y55.2Low57.1Low194 Ų194108.1 Ų108.176%0.76160%0.604SS**G310 helixtrans-51.7-20.7173.2-164.5-99.7000115.6P205 S211P205-Y207 PolarHBondContact O-N 2.73Å; Y207-S211 PolarHBondContact O-OG 2.88Å
208L57.8Low59.2Low50 Ų50101.3 Ų101.326%0.26257%0.567SS.*G310 helixtrans-83.5-14176.7-71.6-179.1000114.8F178 Y182 P205 V206 S211 F212F178-L208 HydrophobicContact CZ-CD1 4.46Å; Y182-L208 HydrophobicContact CE2-CB 3.93Å; Y182-L208 HydrophobicContact CE2-CD1 4.26Å; P205-L208 PolarHBondContact O-N 3.1Å; V206-L208 PolarHBondContact O-N 2.72Å; L208-S211 WeakPolarHBondContact O-CB 3.43Å; L208-S211 PolarHBondContact O-N 3.25Å; L208-F212 HydrophobicContact CD2-CE2 4.21Å
209E57.7Low61.5Low112 Ų11296 Ų9652%0.52355%0.547SS..THydrogen-bonded Turntrans-64.8-46.2178.8-64.8-143.299.100111.9Q186 V206 S211 F212Q186-E209 PolarHBondContact NE2-OE1 3.23Å; V206-E209 PolarHBondContact O-N 2.73Å; E209-S211 PolarHBondContact O-N 3.04Å; E209-F212 PolarHBondContact O-N 3.35Å
210D61.5Low63.2Low160 Ų16092.4 Ų92.486%0.85652%0.523SS*.THydrogen-bonded Turntrans-67.4-18.6175.5-71.3-41.8000113.2
211S71.4Confident65.2Low64 Ų6491.8 Ų91.845%0.44851%0.511SS..THydrogen-bonded Turntrans-76.6-21.6-179-63.30000113.4Y207 L208 E209Y207-S211 PolarHBondContact O-OG 2.88Å; L208-S211 WeakPolarHBondContact O-CB 3.43Å; L208-S211 PolarHBondContact O-N 3.25Å; E209-S211 PolarHBondContact O-N 3.04Å
212F71.1Confident67.2Low74 Ų7484.3 Ų84.333%0.32548%0.48SS..  trans-129.189.7-170.4-66.3-65.3000114.2F178 L179 L208 E209 K214F178-F212 HydrophobicContact CD1-CZ 4.4Å; F178-F212 AromaticContact CE1-CE2 3.82Å; F178-F212 HydrophobicContact CE1-CE2 3.82Å; F178-F212 AromaticContact CE1-CZ 3.78Å; F178-F212 HydrophobicContact CE1-CZ 3.78Å; L179-F212 HydrophobicContact CD2-CD1 3.75Å; L179-F212 HydrophobicContact CD2-CE1 3.91Å; L179-F212 HydrophobicContact CD2-CG 4.17Å; L179-F212 HydrophobicContact CD2-CZ 4.45Å; L208-F212 HydrophobicContact CD2-CE2 4.21Å; E209-F212 PolarHBondContact O-N 3.35Å; F212-K214 PolarHBondContact O-N 3.33Å
213I66Low69.4Low138 Ų13880.5 Ų80.571%0.70845%0.454SS*.  trans-66.897173.5-55.6178.2000110.6S215I213-S215 PolarHBondContact O-N 2.95Å
214K66.6Low71.2Confident96 Ų9679 Ų7942%0.41744%0.443SS..  trans-55104.7172.4-153166.9-169.1166.70109.4K50 F212K50-K214 PolarHBondContact NZ-O 3.35Å; F212-K214 PolarHBondContact O-N 3.33Å
215S62.9Low73Confident100 Ų10083.1 Ų83.170%0.69945%0.454SS*.  trans-92-13.7-167.6-162.90000113.8I213I213-S215 PolarHBondContact O-N 2.95Å
216G71.7Confident74.8Confident55 Ų5580 Ų8057%0.56743%0.433SS*.  trans-78.3149.9177.300000113.5
217V86.1Confident76.6Confident12 Ų1275.9 Ų75.97%0.07341%0.409CS..SBendtrans-87.9-8.8171.3-67.50000114.4L33 E53 R54 K57L33-V217 HydrophobicContact CD2-CG2 3.7Å; E53-V217 HydrophobicContact CB-CG1 3.43Å; E53-V217 VanDerWaalsContact CB-CG1 3.43Å; R54-V217 HydrophobicContact CG-CB 3.92Å; R54-V217 HydrophobicContact CG-CG1 4.03Å; K57-V217 HydrophobicContact CB-CG2 4.11Å; K57-V217 HydrophobicContact CD-CB 4.21Å; K57-V217 HydrophobicContact CD-CG2 3.96Å; K57-V217 WeakPolarHBondContact CD-O 3.31Å; K57-V217 HydrophobicContact CG-CG2 4.17Å; K57-V217 PolarHBondContact NZ-O 3.27Å
218F88.2Confident78.3Confident24 Ų2475.3 Ų75.311%0.10541%0.406CS..SBendtrans-97.2137.3172.9-63.9-91.1000109.4T29 W30 L33 K57 L61 E222 L223 V226T29-F218 HydrophobicContact CG2-CZ 3.94Å; W30-F218 HydrophobicContact CE3-CE2 4.18Å; W30-F218 HydrophobicContact CZ3-CE2 4.34Å; L33-F218 HydrophobicContact CD2-CE2 4.41Å; K57-F218 HydrophobicContact CD-CD1 3.77Å; K57-F218 HydrophobicContact CD-CD2 4.31Å; K57-F218 HydrophobicContact CD-CE1 3.72Å; K57-F218 HydrophobicContact CD-CE2 4.26Å; K57-F218 HydrophobicContact CD-CG 4.07Å; K57-F218 HydrophobicContact CD-CZ 3.98Å; K57-F218 HydrophobicContact CG-CD1 4.38Å; K57-F218 HydrophobicContact CG-CE1 3.82Å; K57-F218 HydrophobicContact CG-CE2 4.18Å; K57-F218 HydrophobicContact CG-CZ 3.71Å; L61-F218 HydrophobicContact CD1-CE1 4.41Å; F218-E222 VanDerWaalsContact CA-OE2 3.28Å; F218-E222 WeakPolarHBondContact CA-OE2 3.33Å; F218-E222 HydrophobicContact CB-CB 4.49Å; F218-E222 HydrophobicContact CD1-CB 4.36Å; F218-L223 HydrophobicContact CB-CB 4.2Å; F218-V226 HydrophobicContact CD1-CG2 4.28Å; F218-V226 HydrophobicContact CE1-CG2 4.03Å
219S86.8Confident80Confident48 Ų4875.7 Ų75.734%0.33641%0.407SS..  trans-71.1165.915981.20000110.6E222 L223S219-E222 PolarHBondContact N-OE2 2.61Å; S219-E222 PolarHBondContact O-N 2.92Å; S219-E222 WeakPolarHBondContact OG-CG 3.21Å; S219-E222 PolarHBondContact OG-N 2.89Å; S219-L223 VanDerWaalsContact O-CB 3.29Å; S219-L223 WeakPolarHBondContact O-CB 3.4Å; S219-L223 PolarHBondContact O-N 3.23Å
220V85.1Confident81.7Confident59 Ų5972.3 Ų72.336%0.35840%0.395SS..Hα-helixtrans-66.6-43.1176.9170.70000110.5V183 E222 L223 V224V183-V220 HydrophobicContact CG1-CB 4.42Å; V183-V220 HydrophobicContact CG1-CG2 3.54Å; V220-E222 VanDerWaalsContact C-N 3.35Å; V220-E222 PolarHBondContact O-N 3.24Å; V220-L223 PolarHBondContact O-N 2.61Å; V220-L223 VanDerWaalsContact O-N 3.14Å; V220-V224 HydrophobicContact CG1-CG2 4.17Å; V220-V224 WeakPolarHBondContact O-CB 3.43Å; V220-V224 WeakPolarHBondContact O-CG2 3.21Å; V220-V224 PolarHBondContact O-N 3.44Å
221A85.6Confident83.3Confident54 Ų5464.9 Ų64.945%0.44636%0.355SS..Hα-helixtrans-59.2-39.9173.700000113.3R225A221-R225 WeakPolarHBondContact O-CB 3.16Å; A221-R225 PolarHBondContact O-N 2.97Å
222E88.2Confident84.2Confident44 Ų4464 Ų6421%0.20635%0.347CS..Hα-helixtrans-63-49.1171-75.4-176.4123.400111.5K57 F218 S219 V220 V224 R225 V226K57-E222 IonicContact NZ-OE1 2.67Å; K57-E222 PolarHBondContact NZ-OE1 3.43Å; K57-E222 IonicContact NZ-OE2 2.69Å; K57-E222 PolarHBondContact NZ-OE2 3.27Å; F218-E222 VanDerWaalsContact CA-OE2 3.28Å; F218-E222 WeakPolarHBondContact CA-OE2 3.33Å; F218-E222 HydrophobicContact CB-CB 4.49Å; F218-E222 HydrophobicContact CD1-CB 4.36Å; S219-E222 PolarHBondContact N-OE2 2.61Å; S219-E222 PolarHBondContact O-N 2.92Å; S219-E222 WeakPolarHBondContact OG-CG 3.21Å; S219-E222 PolarHBondContact OG-N 2.89Å; V220-E222 VanDerWaalsContact C-N 3.35Å; V220-E222 PolarHBondContact O-N 3.24Å; E222-V224 PolarHBondContact O-N 3.05Å; E222-R225 WeakPolarHBondContact O-CB 3.11Å; E222-R225 PolarHBondContact O-N 2.89Å; E222-R225 VanDerWaalsContact O-N 3.14Å; E222-V226 WeakPolarHBondContact O-CG2 3.27Å; E222-V226 PolarHBondContact O-N 3.22Å
223L89.1Confident84.7Confident52 Ų5266 Ų6627%0.27236%0.357SS..Hα-helixtrans-63.5-43.7-174.5-17959.5000111.9I26 P141 F218 S219 V220 R225 S227I26-L223 HydrophobicContact CD1-CD1 3.37Å; P141-L223 HydrophobicContact CG-CD1 3.83Å; P141-L223 HydrophobicContact CG-CD2 4.27Å; F218-L223 HydrophobicContact CB-CB 4.2Å; S219-L223 VanDerWaalsContact O-CB 3.29Å; S219-L223 WeakPolarHBondContact O-CB 3.4Å; S219-L223 PolarHBondContact O-N 3.23Å; V220-L223 PolarHBondContact O-N 2.61Å; V220-L223 VanDerWaalsContact O-N 3.14Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 2.69Å; L223-S227 WeakPolarHBondContact O-CB 3.47Å; L223-S227 PolarHBondContact O-N 3.13Å; L223-S227 PolarHBondContact O-OG 3.2Å
224V88.3Confident84.6Confident64 Ų6462.3 Ų62.339%0.38835%0.352SS..Hα-helixtrans-62.3-35.6175.11720000111.2V220 E222 S227 R228V220-V224 HydrophobicContact CG1-CG2 4.17Å; V220-V224 WeakPolarHBondContact O-CB 3.43Å; V220-V224 WeakPolarHBondContact O-CG2 3.21Å; V220-V224 PolarHBondContact O-N 3.44Å; E222-V224 PolarHBondContact O-N 3.05Å; V224-S227 PolarHBondContact O-OG 2.84Å; V224-R228 WeakPolarHBondContact O-CD 3.46Å; V224-R228 VanDerWaalsContact O-CG 3.25Å; V224-R228 WeakPolarHBondContact O-CG 3.16Å
225R89.8Confident84.2Confident151 Ų15158.9 Ų58.957%0.5734%0.342SS*.Hα-helixtrans-67.4-59175.4-164.9-170.5-56140.82.7111.3A221 E222 L223 S227 R228 M229A221-R225 WeakPolarHBondContact O-CB 3.16Å; A221-R225 PolarHBondContact O-N 2.97Å; E222-R225 WeakPolarHBondContact O-CB 3.11Å; E222-R225 PolarHBondContact O-N 2.89Å; E222-R225 VanDerWaalsContact O-N 3.14Å; L223-R225 VanDerWaalsContact C-N 3.27Å; L223-R225 PolarHBondContact O-N 2.69Å; R225-S227 VanDerWaalsContact C-N 3.35Å; R225-S227 PolarHBondContact O-N 3.05Å; R225-R228 PolarHBondContact O-N 2.87Å; R225-M229 HydrophobicContact CG-SD 4.16Å; R225-M229 WeakPolarHBondContact O-CG 3.37Å; R225-M229 PolarHBondContact O-N 3.35Å
226V88Confident83.1Confident18 Ų1858.7 Ų58.711%0.10935%0.347CS..Hα-helixtrans-73.4-22.8-171.6-57.20000114.2I26 L61 F218 E222I26-V226 HydrophobicContact CB-CB 4.39Å; I26-V226 HydrophobicContact CB-CG2 4.01Å; I26-V226 WeakPolarHBondContact CB-O 3.45Å; I26-V226 HydrophobicContact CD1-CG2 3.99Å; I26-V226 HydrophobicContact CG1-CG2 3.89Å; I26-V226 PolarHBondContact N-O 3.31Å; L61-V226 HydrophobicContact CD2-CG1 4.14Å; F218-V226 HydrophobicContact CD1-CG2 4.28Å; F218-V226 HydrophobicContact CE1-CG2 4.03Å; E222-V226 WeakPolarHBondContact O-CG2 3.27Å; E222-V226 PolarHBondContact O-N 3.22Å
227S90.7Very high81.6Confident24 Ų2461.6 Ų61.617%0.16835%0.353CS..Hα-helixtrans-74.2-29.617458.70000113.2R24 G139 L223 V224 R225R24-S227 VanDerWaalsContact CD-O 3.31Å; R24-S227 WeakPolarHBondContact CD-O 3.28Å; R24-S227 WeakPolarHBondContact CG-O 3.44Å; G139-S227 VanDerWaalsContact O-CB 3.28Å; G139-S227 WeakPolarHBondContact O-CB 3.44Å; L223-S227 WeakPolarHBondContact O-CB 3.47Å; L223-S227 PolarHBondContact O-N 3.13Å; L223-S227 PolarHBondContact O-OG 3.2Å; V224-S227 PolarHBondContact O-OG 2.84Å; R225-S227 VanDerWaalsContact C-N 3.35Å; R225-S227 PolarHBondContact O-N 3.05Å
228R91.4Very high79.4Confident183 Ų18366.8 Ų66.869%0.69139%0.387SS*.Hα-helixtrans-79.4-38.5176.8-70177.4-178.3-153.31.7112.5R24 V224 R225R24-R228 PolarHBondContact NH1-O 3.47Å; V224-R228 WeakPolarHBondContact O-CD 3.46Å; V224-R228 VanDerWaalsContact O-CG 3.25Å; V224-R228 WeakPolarHBondContact O-CG 3.16Å; R225-R228 PolarHBondContact O-N 2.87Å
229M93.1Very high76.9Confident58 Ų5874.9 Ų74.929%0.28642%0.422SS..SBendtrans-61.8132.7-176.9-67.5170.281.100112.6R24 A25 R225 H233R24-M229 CarbonylContact C-O 3.54Å; R24-M229 WeakPolarHBondContact CA-O 3.46Å; A25-M229 HydrophobicContact CB-CB 4.23Å; A25-M229 PolarHBondContact N-O 2.8Å; R225-M229 HydrophobicContact CG-SD 4.16Å; R225-M229 WeakPolarHBondContact O-CG 3.37Å; R225-M229 PolarHBondContact O-N 3.35Å; M229-H233 HydrophobicContact CE-CB 4.34Å; M229-H233 WeakPolarHBondContact CE-ND1 3.2Å
230P94.5Very high74.3Confident40 Ų4076 Ų7626%0.2643%0.43SS..BIsolated β-bridgetrans-75.2155.417032.7-34.6000111.2P21 V23 T232 H233P21-P230 WeakPolarHBondContact O-CB 3.4Å; V23-P230 CarbonylContact O-C 3.52Å; V23-P230 WeakPolarHBondContact O-CA 3.14Å; P230-T232 PolarHBondContact O-N 3.29Å; P230-H233 HydrophobicContact CG-CB 4.18Å; P230-H233 WeakPolarHBondContact O-CB 3.21Å; P230-H233 PolarHBondContact O-N 3.3Å
231I94.1Very high72.2Confident5 Ų582.1 Ų82.13%0.02646%0.457CS..THydrogen-bonded Turntrans-71.9-11.9-178.7-155.5173.8000113.3L20 V23 K68 W71 A72 H233L20-I231 HydrophobicContact CD1-CG2 3.96Å; L20-I231 WeakPolarHBondContact O-CG2 3.39Å; V23-I231 HydrophobicContact CB-CG2 3.88Å; V23-I231 HydrophobicContact CG1-CB 4.29Å; V23-I231 HydrophobicContact CG1-CD1 4.35Å; V23-I231 HydrophobicContact CG1-CG2 3.99Å; V23-I231 PolarHBondContact O-N 2.95Å; K68-I231 HydrophobicContact CB-CD1 3.96Å; K68-I231 HydrophobicContact CB-CG1 3.91Å; K68-I231 VanDerWaalsContact O-CD1 3.31Å; K68-I231 WeakPolarHBondContact O-CD1 3.47Å; W71-I231 HydrophobicContact CE3-CD1 3.92Å; W71-I231 HydrophobicContact CZ3-CD1 3.94Å; A72-I231 HydrophobicContact CB-CD1 3.69Å; A72-I231 HydrophobicContact CB-CG2 4.21Å; I231-H233 VanDerWaalsContact C-N 3.33Å
232T91.3Very high69.9Low44 Ų4483.6 Ų83.627%0.2747%0.469SS..THydrogen-bonded Turntrans-79.3-13.8169.650.50000113.3L20 P21 P230 G234 A235L20-T232 HydrophobicContact CG-CG2 4.11Å; P21-T232 HydrophobicContact CB-CG2 4.44Å; P21-T232 HydrophobicContact CG-CG2 4.36Å; P230-T232 PolarHBondContact O-N 3.29Å; T232-G234 PolarHBondContact O-N 3.42Å; T232-A235 PolarHBondContact O-N 3.24Å
233H81.8Confident67.5Low118 Ų11887.8 Ų87.855%0.54649%0.493SS..THydrogen-bonded Turntrans-62.4126.9-179.9-171-67.7000111.6M229 P230 I231M229-H233 HydrophobicContact CE-CB 4.34Å; M229-H233 WeakPolarHBondContact CE-ND1 3.2Å; P230-H233 HydrophobicContact CG-CB 4.18Å; P230-H233 WeakPolarHBondContact O-CB 3.21Å; P230-H233 PolarHBondContact O-N 3.3Å; I231-H233 VanDerWaalsContact C-N 3.33Å
234G63.5Low64.8Low59 Ų5992.5 Ų92.561%0.60852%0.516SS*.THydrogen-bonded Turntrans88.9-4.7-179.800000115.3T232 A236T232-G234 PolarHBondContact O-N 3.42Å; G234-A236 VanDerWaalsContact C-N 3.3Å; G234-A236 PolarHBondContact O-N 3.15Å
235A57.8Low62.2Low25 Ų2594.1 Ų94.121%0.20753%0.527CS..  trans-93.351.2173.700000111.8P65 T232 V237P65-A235 HydrophobicContact CB-CB 4.11Å; P65-A235 HydrophobicContact CG-CB 4.4Å; T232-A235 PolarHBondContact O-N 3.24Å; A235-V237 VanDerWaalsContact C-N 3.31Å; A235-V237 PolarHBondContact O-N 2.73Å
236A39.4Very low59.3Low96 Ų9692 Ų9279%0.79354%0.536SS*.  trans-75.477.9-170.500000112.6G234G234-A236 VanDerWaalsContact C-N 3.3Å; G234-A236 PolarHBondContact O-N 3.15Å
237V41.7Very low56.6Low116 Ų11699.2 Ų99.270%0.70357%0.568SS**  trans-70.6125.5149.9-146.90000106.4A235 F239A235-V237 VanDerWaalsContact C-N 3.31Å; A235-V237 PolarHBondContact O-N 2.73Å; V237-F239 VanDerWaalsContact C-N 3.32Å; V237-F239 PolarHBondContact O-N 3.21Å
238P38.8Very low54Low120 Ų120103.4 Ų103.478%0.77960%0.595SS**  trans-7879.5-17230.9-36000112.1
239F35.7Very low51.3Low194 Ų194104 Ų10485%0.85160%0.599SS**  trans-115.290161.7-90-83000109.8V237 M241V237-F239 VanDerWaalsContact C-N 3.32Å; V237-F239 PolarHBondContact O-N 3.21Å; F239-M241 PolarHBondContact O-N 3.45Å
240S32.6Very low48.6Very low71 Ų71110.9 Ų110.950%0.49762%0.623SS.*  trans-65.9121.4166.11720000109.1A242 D243S240-A242 PolarHBondContact O-N 3.02Å; S240-A242 WeakPolarHBondContact OG-CB 3.44Å; S240-A242 PolarHBondContact OG-N 3.48Å; S240-A242 VanDerWaalsContact OG-N 3.15Å; S240-D243 WeakPolarHBondContact CB-OD2 3.5Å; S240-D243 PolarHBondContact OG-OD2 3.32Å
241M41.5Very low45.5Very low189 Ų189117.5 Ų117.593%0.93165%0.65SS**THydrogen-bonded Turntrans-81.86.6166.8-92.4-156.1-64.800112.9F239F239-M241 PolarHBondContact O-N 3.45Å
242A37.7Very low42.4Very low84 Ų84123.1 Ų123.169%0.69468%0.68SS**THydrogen-bonded Turntrans-82.4-24.1176.700000113.1S240 M244S240-A242 PolarHBondContact O-N 3.02Å; S240-A242 WeakPolarHBondContact OG-CB 3.44Å; S240-A242 PolarHBondContact OG-N 3.48Å; S240-A242 VanDerWaalsContact OG-N 3.15Å; A242-M244 VanDerWaalsContact C-N 3.29Å; A242-M244 PolarHBondContact O-N 2.83Å
243D37.2Very low39.7Very low132 Ų132127.8 Ų127.871%0.70670%0.703SS**  trans-92.436.2-171.1-59.2-73.6000113.8S240 P245S240-D243 WeakPolarHBondContact CB-OD2 3.5Å; S240-D243 PolarHBondContact OG-OD2 3.32Å; D243-P245 WeakPolarHBondContact O-CD 3.17Å
244M31.6Very low37.3Very low152 Ų152129.5 Ų129.575%0.74972%0.716SS**  trans-97104.5165.8-105.1-60.5-57.300109.2A242 S246A242-M244 VanDerWaalsContact C-N 3.29Å; A242-M244 PolarHBondContact O-N 2.83Å; M244-S246 PolarHBondContact O-N 3.23Å; M244-S246 VanDerWaalsContact O-N 3.1Å
245P34.9Very low35.6Very low97 Ų97132.5 Ų132.563%0.6373%0.727SS**  trans-65.2115.3176.626.3-33000109.7D243 Q247D243-P245 WeakPolarHBondContact O-CD 3.17Å; P245-Q247 PolarHBondContact O-N 3.46Å; P245-Q247 VanDerWaalsContact O-N 3.08Å
246S29.2Very low34.2Very low108 Ų108136 Ų13676%0.75575%0.75SS**  trans-63.3108.1179.453.60000110.6M244 P248M244-S246 PolarHBondContact O-N 3.23Å; M244-S246 VanDerWaalsContact O-N 3.1Å; S246-P248 WeakPolarHBondContact O-CD 3.36Å
247Q30.6Very low33.9Very low168 Ų168138 Ų13879%0.78575%0.752SS**  trans-63.2114.7172.9-76.2-72.1-39.500110.1P245P245-Q247 PolarHBondContact O-N 3.46Å; P245-Q247 VanDerWaalsContact O-N 3.08Å
248P34.8Very low33.4Very low112 Ų112136.3 Ų136.373%0.72775%0.751SS**  trans-98.999.5-179.533.6-22000109.8S246S246-P248 WeakPolarHBondContact O-CD 3.36Å
249Y35.5Very low33.1Very low196 Ų196137.9 Ų137.977%0.76975%0.752SS**  trans-142135.8168.9-119.5-87.9000110.8
250Y35.6Very low32.8Very low202 Ų202135 Ų13579%0.79274%0.741SS**  trans7273.4-177.6-58.8-73.7000117.7
251H30.9Very low32.7Very low180 Ų180142.6 Ų142.683%0.83376%0.759SS**  -178.9138.2126-89.8-60.1000108
252D29.3Very low32.1Very low122 Ų122138.6 Ų138.665%0.65275%0.749SS**  cis-163.6178.6-17.3-145.3-40.3000110
253L33.1Very low31.7Very low143 Ų143142.3 Ų142.375%0.74976%0.757SS**  trans64.195.7156.7-64.5169.4000119.9
254N31.3Very low31.2Very low153 Ų153141.1 Ų141.182%0.81876%0.759SS**  39.195.8113.6-175.454.7000118.9
255S28Very low31Very low122 Ų122139.6 Ų139.685%0.85376%0.763SS**  trans-148.9162.1141.5-163.40000110
256S28.2Very low32Very low99 Ų99140.7 Ų140.769%0.69277%0.77SS**  trans-124.7178.3-164.861.10000113.8
257V32.9Very low32.7Very low138 Ų138142 Ų14284%0.83678%0.776SS**  trans93.3140169-172.50000117.5
258A31Very low32.6Very low81 Ų81137.4 Ų137.467%0.66977%0.774SS**  trans7587.9161.900000122.2
259L32.4Very low32.6Very low153 Ų153137.7 Ų137.780%0.80178%0.778SS**  68.7122110.7-75.4165.1000123.3
260Q31Very low32.5Very low134 Ų134138 Ų13863%0.62678%0.784SS**  trans106.5119.6132.9-72.4-75.8-46.400122
261R30.8Very low32.5Very low229 Ų229138.9 Ų138.986%0.86479%0.786SS**  trans80.3151.8148.9-84.5163.9178.9147.42.6120.2
262S28Very low33Very low105 Ų105136.3 Ų136.373%0.73479%0.785SS**  trans-151.8-167.9-156.154.20000110
263L29.4Very low33Very low163 Ų163138.9 Ų138.985%0.85379%0.79SS**  trans88.1143.8-173.8-51.6165.5000113.7
264S26.9Very low32.9Very low107 Ų107137.9 Ų137.975%0.74879%0.79SS**  cis-165.1166.3-23.7-1030000109.3
265S26.4Very low32.7Very low120 Ų120137.8 Ų137.884%0.83979%0.79SS**  trans-104.6-155.9-162.1-43.60000115.3
266P57Low32.9Very low119 Ų119139.3 Ų139.377%0.77379%0.785SS**  trans-117.2177.6-131.439.8-20.8000116.3
267P43.8Very low33Very low135 Ų135143.6 Ų143.688%0.87780%0.795SS**  -149.8177.2116.138.6-22.5000114.6
268G28.3Very low33.2Very low72 Ų72145.9 Ų145.974%0.74280%0.796SS**  cis157.693.9-15.500000118.1
269S34.3Very low33.5Very low118 Ų118148.3 Ų148.383%0.82580%0.798SS**  trans84.3154.7149.7-155.50000122.9
270K33Very low33.7Very low204 Ų204147.9 Ų147.989%0.88779%0.794SS**  trans97.3154.1160.3-58.5-171.7-178.41770121.4
271R37.3Very low33.9Very low219 Ų219147.6 Ų147.683%0.82680%0.797SS**  trans-145.8146.1-168.5174.7-169.4-170.1176.49109
272P40.1Very low34.1Very low127 Ų127142.1 Ų142.183%0.82579%0.789SS**  trans-136.1-146.8140.835.7-19.7000113.2
273K30.8Very low34.5Very low175 Ų175142.5 Ų142.576%0.76179%0.791SS**  trans-149.4156.2-154.5-122.6-172.5178.9-174.40113
274T30.3Very low35.6Very low122 Ų122140.3 Ų140.375%0.74879%0.787SS**  trans65.9115.4146.948.60000123.6
275N26.6Very low36Very low151 Ų151141.8 Ų141.881%0.80779%0.791SS**  96.9134.4116.5-160.750.3000122.4
276M32.9Very low36.4Very low154 Ų154139.3 Ų139.376%0.75979%0.785SS**  trans61.6121.9150.7-174.2170172.500121.7
277E28.8Very low36.1Very low189 Ų189139.2 Ų139.288%0.88378%0.784SS**  -170.3179.2114.5-100.8-167.5121.100112
278E38.9Very low35.6Very low186 Ų186139.3 Ų139.387%0.86978%0.777SS**  trans-126.1-166-167-154.4-175.299.100112
279N36.1Very low35.8Very low133 Ų133144 Ų14471%0.71178%0.778SS**  trans81.5147.4173.1-130.916.1000115.6
280M37.4Very low35.9Very low143 Ų143148.6 Ų148.670%0.70478%0.778SS**  cis-154.2174.510.8-178.554.7131.200110.3
281D34.4Very low35.7Very low129 Ų129144 Ų14469%0.6977%0.772SS**  trans75.6138.4163.4-108-116.6000118.6
282T35.5Very low35.5Very low114 Ų114139 Ų13970%0.69977%0.77SS**  cis-149.9164.3-4.2-17.80000111.2
283S36.6Very low36.1Very low112 Ų112137.9 Ų137.978%0.78376%0.763SS**  trans-159.5145.6165.9-75.80000111.2
284P53.1Low36Very low117 Ų117134.9 Ų134.976%0.7676%0.764SS**  -143.9172.3105.339.9-24.4000112.2
285T34.9Very low36.4Very low138 Ų138134.5 Ų134.585%0.84777%0.767SS**  cis-167.5154.539-44.70000111.1
286G34.4Very low37.4Very low69 Ų69133.1 Ų133.171%0.71177%0.766SS**  trans111.2128.7150.400000117.1
287P50.8Low37.2Very low116 Ų116129.8 Ų129.875%0.75376%0.763SS**  trans-107.6165.8-17441-35.2000115
288D32.1Very low37.3Very low137 Ų137126.1 Ų126.173%0.73376%0.758SS**  -171.6133113.4-95.7-22.4000114.8
289F34.3Very low36.8Very low172 Ų172123.2 Ų123.275%0.75476%0.758SS**  trans34119.5158.3-67.8-89.4000124.8
290Y35.8Very low36.5Very low213 Ų213128.6 Ų128.684%0.83577%0.769SS**  43135.1127-88-103.2000120.7
291S29.3Very low36.5Very low107 Ų107126.1 Ų126.175%0.74877%0.771SS**  cis-151.9163.322.6-49.10000113.7
292S32.7Very low36.4Very low114 Ų114127 Ų12780%0.79778%0.776SS**  trans-116.6-171.4161.3-148.30000107.6
293P52.8Low36.3Very low104 Ų104133.5 Ų133.568%0.67579%0.788SS**  cis-143.7-166.3-1.639.4-16.8000116.2
294S28.8Very low36.5Very low112 Ų112136.6 Ų136.678%0.78379%0.789SS**  trans84.8122.4143.5-640000123
295S37.5Very low35.5Very low114 Ų114137.3 Ų137.380%0.79779%0.787SS**  trans-89.4173.9146.5-35.90000109.7
296P48.5Very low35.5Very low122 Ų122140.1 Ų140.179%0.79278%0.782SS**  -159178.568.343.2-21.4000119.1
297A28.3Very low35.6Very low85 Ų85142.8 Ų142.870%0.70278%0.78SS**  trans74.6115.8140.800000124.4
298S30.8Very low34.6Very low111 Ų111140.8 Ų140.878%0.77678%0.78SS**  89.5151.9120.277.50000124.3
299S29.4Very low34.7Very low125 Ų125138.5 Ų138.587%0.87478%0.781SS**  trans100.6170.1153.884.50000120.3
300R29.8Very low34.6Very low247 Ų247138.4 Ų138.493%0.93278%0.782SS**  trans-113.3154.6-163.7-63.1165.6161.5170.9-7.9111.9
301A35.9Very low34.5Very low90 Ų90135.5 Ų135.574%0.74478%0.778SS**  trans-172.7159.713300000113.2
302N33.7Very low34.6Very low149 Ų149135.9 Ų135.980%0.79778%0.781SS**  trans-80.5157.1166.6-65.6-5.9000111
303W33Very low34.6Very low249 Ų249136 Ų13694%0.94378%0.782SS**  trans-143.4159.6144.4-80.2110.1000111.4
304H40.4Very low34.4Very low177 Ų177136.6 Ų136.682%0.81979%0.786SS**  trans-143.7165178.6-128.1-83.4000107.8
305D31.9Very low34.6Very low133 Ų133137.2 Ų137.271%0.71179%0.785SS**  trans100.6130.7149.2-139.8-141.6000120.2
306R34.9Very low34.4Very low197 Ų197139.6 Ų139.674%0.74379%0.786SS**  trans68.9151.7154.9-68.4-176.684.4-142.5-8.7121.6
307D35.9Very low33.6Very low124 Ų124142.9 Ų142.966%0.66379%0.787SS**  cis-165.3150.8-20.9-119.8-14.5000111.9
308G30.5Very low34Very low74 Ų74146 Ų14676%0.76379%0.785SS**  trans74.3158155.800000119.3
309A34.7Very low34.5Very low90 Ų90146.8 Ų146.874%0.74479%0.788SS**  cis-163.2172.9-11.300000111.5
310E32.3Very low34.5Very low169 Ų169148 Ų14879%0.7978%0.78SS**  trans71.3140.2158-75.8-177.7-17500119.4
311M33.3Very low34.9Very low152 Ų152145.5 Ų145.575%0.74978%0.775SS**  cis-144.5171.30.7-72.7-151.8176.100113.8
312S31.5Very low35.2Very low116 Ų116147 Ų14781%0.81178%0.778SS**  trans99.2142.2148.3-60.70000121.3
313S32Very low35.5Very low116 Ų116147.1 Ų147.181%0.81178%0.777SS**  trans-160.3161.5176.4-71.40000109.6
314P50.2Low35.3Very low117 Ų117145.7 Ų145.776%0.7678%0.778SS**  -152.5123.7122.933.5-13.5000117.9
315T33Very low34.7Very low125 Ų125142.4 Ų142.477%0.76778%0.775SS**  trans51.5130.6133.458.50000125.5
316M33.4Very low35.6Very low164 Ų164141.4 Ų141.481%0.80878%0.776SS**  trans76.5152.8130.4-70.5-78.4-133.400120
317K31.6Very low35.2Very low190 Ų190138.6 Ų138.683%0.82678%0.781SS**  cis-134.7164.55.4-76.6-165.7176.9177.90113.5
318K35.3Very low35Very low150 Ų150137.9 Ų137.965%0.65279%0.786SS**  trans-98.4162.6164.1-170.1-169.4-172.6-170.70110.6E320K318-E320 HydrophobicContact CD-CG 3.82Å; K318-E320 WeakPolarHBondContact CE-OE1 3.46Å; K318-E320 HydrophobicContact CG-CG 4.31Å; K318-E320 IonicContact NZ-OE1 2.64Å; K318-E320 PolarHBondContact NZ-OE1 2.68Å
319P41.4Very low35.9Very low128 Ų128139.3 Ų139.383%0.83178%0.781SS**  trans-132.7171.713537.4-27.1000113.7
320E30.2Very low35.6Very low151 Ų151143.1 Ų143.171%0.70678%0.784SS**  trans-124173.8-158.6-58-160.690.100115.9K318K318-E320 HydrophobicContact CD-CG 3.82Å; K318-E320 WeakPolarHBondContact CE-OE1 3.46Å; K318-E320 HydrophobicContact CG-CG 4.31Å; K318-E320 IonicContact NZ-OE1 2.64Å; K318-E320 PolarHBondContact NZ-OE1 2.68Å
321K38.6Very low35.3Very low194 Ų194140.6 Ų140.684%0.84378%0.776SS**  trans-71.6154.6170.9-49.4171.6-178.4176.60111.3
322P42.5Very low35Very low122 Ų122138.1 Ų138.179%0.79277%0.774SS**  trans-91.1164.2146.534.6-29.6000112.1
323L38.5Very low34.8Very low151 Ų151138.2 Ų138.279%0.79177%0.774SS**  trans-125.4151.9175.3-73.8163.2000109.2
324F28.5Very low36Very low219 Ų219138.1 Ų138.196%0.96177%0.771SS**  trans-158.8161.2148-96-66000110.8
325S29.5Very low35.1Very low109 Ų109144.2 Ų144.276%0.76278%0.779SS**  trans-132.8-166.9-171-450000109
326P50.2Low34.9Very low112 Ų112145.8 Ų145.873%0.72778%0.781SS**  cis-139.2-151.5-6.939.8-17.6000113.9
327T27.2Very low34.5Very low137 Ų137143.1 Ų143.184%0.8478%0.779SS**  trans89.3155.8154.612.90000122.4
328S30Very low34.3Very low110 Ų110139.9 Ų139.977%0.76978%0.775SS**  trans-169.9172.9-173-159.20000106.9
329P50.8Low33.9Very low103 Ų103142.6 Ų142.667%0.66979%0.787SS**  cis-140.2-156.69.337-11.6000115.5
330Q28.4Very low33.2Very low170 Ų170140.7 Ų140.779%0.79478%0.777SS**  trans76.4155.5170.6-51-163.6-9900116.8
331D25.3Very low33Very low117 Ų117142.1 Ų142.163%0.62678%0.784SS**  cis-149.7173.72.4-150.7-85.7000113.2
332S27Very low32.5Very low100 Ų100136.6 Ų136.670%0.69977%0.77SS**  trans78.3162.5148.1-80.60000122.2
333S26.8Very low31.9Very low118 Ų118139.2 Ų139.283%0.82577%0.771SS**  trans-145.1-144.7-173.5-69.80000112
334P57.3Low31.6Very low113 Ų113140.9 Ų140.973%0.73477%0.774SS**  -121173.4-11239.8-24.2000115.4
335R31Very low32.5Very low246 Ų246136.8 Ų136.893%0.92877%0.77SS**  trans-170.9176148.7-105.3150-156.3-1053115
336L29.3Very low32.5Very low157 Ų157134.7 Ų134.782%0.82277%0.766SS**  trans-108.6167.8-174.1-47.989.6000112.1
337S25.7Very low31.6Very low109 Ų109137.9 Ų137.976%0.76278%0.775SS**  143114.1120.363.90000118.3
338T26.1Very low31.7Very low121 Ų121137.2 Ų137.274%0.74278%0.777SS**  51.8106.5115.4-39.90000123.6
339F27.5Very low31.7Very low207 Ų207135.4 Ų135.491%0.90878%0.775SS**  trans63168.6146.9-80.4-110.2000118.6
340S26.2Very low30.7Very low89 Ų89137.3 Ų137.362%0.62279%0.785SS**  cis-158.2163.818.968.50000114.8
341Q27.6Very low30.7Very low181 Ų181132.9 Ų132.985%0.84678%0.784SS**  trans61.7162.4154.9-71-178.416.800119.1
342S27.3Very low31.1Very low78 Ų78135.4 Ų135.455%0.54579%0.792SS.*  cis-150.4169.4-5.625.60000108.8
343H29.6Very low31.1Very low176 Ų176135 Ų13582%0.81579%0.79SS**  -174.9167.465.2-77.6-86.2000113.3
344H32.5Very low31.4Very low187 Ų187135 Ų13587%0.86678%0.784SS**  trans-92.7179.9166.3-79.5-71.6000111
345P47.9Very low30.1Very low132 Ų132136.9 Ų136.986%0.85779%0.786SS**  cis-136.6-167.524.142-20.4000114.9
346G28.4Very low29.9Very low66 Ų66129.6 Ų129.668%0.6877%0.774SS**  cis166.4-163.9-7.300000112.9
347L31.8Very low29.8Very low178 Ų178127.3 Ų127.393%0.93277%0.771SS**  trans99.5110.4168.6-60172.2000121.4
348S28.3Very low30.1Very low124 Ų124133.5 Ų133.587%0.86778%0.777SS**  56.1132.3125-1550000124.1
349G30.4Very low30.5Very low72 Ų72132.9 Ų132.974%0.74278%0.778SS**  trans169.9120.5159.300000113
350V30.7Very low31.3Very low142 Ų142128.7 Ų128.786%0.86177%0.771SS**  trans-129138.3-176.2176.60000110.6
351G29.1Very low32.5Very low77 Ų77130.3 Ų130.379%0.79478%0.78SS**  trans-165.3101.9-17700000116.7
352H31.6Very low32.7Very low170 Ų170125.9 Ų125.979%0.78777%0.769SS**  trans-48.1164155.2-70.1-75000113.8
353S28.9Very low32.7Very low93 Ų93130.9 Ų130.965%0.6578%0.783SS**  cis-177.8169.10.9-109.60000113
354V31.3Very low33.1Very low116 Ų116127.9 Ų127.970%0.70378%0.782SS**  trans72.7115.7135.5161.90000123.2
355I30.9Very low33.6Very low153 Ų153124.3 Ų124.379%0.78578%0.775SS**  trans66.1147133-61.9-177.2000117.8
356S27.9Very low32.8Very low94 Ų94125.9 Ų125.966%0.65778%0.776SS**  cis-155.315723.6-150.80000115.9
357S26.7Very low33.2Very low109 Ų109130.3 Ų130.376%0.76278%0.779SS**  trans59.5152.414673.90000120
358R30.8Very low33.2Very low239 Ų239131.7 Ų131.790%0.90278%0.777SS**  cis-152.9145.518.7-170.6177.6-173.5-123.86111.6
359S34.4Very low33.4Very low108 Ų108130.9 Ų130.976%0.75577%0.772SS**  trans-121176.1172.5-53.70000108.8
360P45.1Very low33.5Very low118 Ų118132.2 Ų132.277%0.76678%0.776SS**  cis-139-173.122.643.9-22.4000115.8
361P51.8Low33.6Very low124 Ų124131.7 Ų131.781%0.80578%0.778SS**  trans-89.6-174.5-179.439-34.9000112.5
362S30.8Very low34Very low88 Ų88132.5 Ų132.562%0.61578%0.778SS**  cis-146.8-164.923.862.50000113
363H27.3Very low34.3Very low183 Ų183133 Ų13385%0.84778%0.784SS**  -146.2165.668.3-81.4-95.5000114
364S37.7Very low34.9Very low112 Ų112136.4 Ų136.478%0.78379%0.794SS**  trans-108.6-153.3-177.4-55.60000112.7
365P43.6Very low35.7Very low112 Ų112136.2 Ų136.273%0.72780%0.796SS**  -116.4-177.1-108.939.4-23.3000114.1
366L32.2Very low36.3Very low165 Ų165135.1 Ų135.186%0.86480%0.798SS**  trans-119.6127.5163.5-74.8174.7000111.6
367Q35.9Very low36.6Very low160 Ų160135.2 Ų135.275%0.74881%0.805SS**  trans-120.8151.9162.1-69.9-176.8-54.700108
368F32.8Very low37.5Very low206 Ų206136 Ų13690%0.90481%0.808SS**  trans-136.1147.6148.2-87-75.4000109.1
369S32.4Very low37.6Very low107 Ų107129.8 Ų129.875%0.74880%0.801SS**  trans-114.9161.3-161.3-61.10000112.8
370A31Very low37.6Very low100 Ų100129.7 Ų129.783%0.82680%0.8SS**  trans-78.2160.3-179.600000113.7
371S33.1Very low37.1Very low131 Ų131133.4 Ų133.492%0.91680%0.8SS**  trans-145.8149.6158.3-82.30000108.9
372A37.2Very low36.2Very low95 Ų95137.3 Ų137.379%0.78581%0.805SS**  trans-139.1148.3178.800000110.6
373I37.5Very low36.3Very low180 Ų180136.7 Ų136.792%0.92380%0.8SS**  trans-160.9162.4167.2-100.6143.3000108.9
374L43.3Very low36.6Very low164 Ų164137.2 Ų137.286%0.85980%0.803SS**  trans-85.2168.3-162.7-76.1167.1000115.6
375P47.2Very low36.9Very low112 Ų112137.7 Ų137.773%0.72780%0.803SS**  trans-102.6164.1-163.439.6-36.6000116.2
376P42.6Very low36.4Very low130 Ų130138.1 Ų138.184%0.84480%0.804SS**  trans-103.6-178161.538.3-30.9000113.9
377A34.7Very low36.8Very low96 Ų96137.8 Ų137.879%0.79380%0.802SS**  trans-99.8176-162.300000115.3
378P46.4Very low37Very low127 Ų127141 Ų14183%0.82581%0.807SS**  trans-105.1174.7-165.140.9-36000116.5
379S33.4Very low37.1Very low108 Ų108141.7 Ų141.776%0.75581%0.805SS**  trans-128.9133.1164.644.80000109
380S34.3Very low37.9Very low106 Ų106142.3 Ų142.374%0.74181%0.806SS**  68.9128.364.7-69.20000113.1
381Y34.5Very low38.7Very low196 Ų196143 Ų14377%0.76980%0.802SS**  cis-166.8144.8-2-150.3-99.6000109.7
382F32.6Very low39.1Very low205 Ų205145.3 Ų145.390%0.89980%0.798SS**  trans-176.8163141.9-105.7-66.3000110.8
383S31.9Very low38.9Very low75 Ų75149.5 Ų149.552%0.52481%0.807SS.*  trans-151.3139.9-145.956.30000115.6
384H34.1Very low38.8Very low195 Ų195148 Ų14890%0.90380%0.8SS**  trans-146.1164.4162.6-88-54000111.3
385P43.8Very low38.9Very low121 Ų121145.5 Ų145.579%0.78679%0.794SS**  trans-96.8164.4-131.735.8-38.9000118.5
386T33.3Very low38.2Very low122 Ų122144.7 Ų144.775%0.74880%0.797SS**  trans-77.2140.6-174.9-49.60000115.1R388T386-R388 HydrophobicContact CG2-CG 4.37Å
387I40.5Very low37.9Very low158 Ų158145 Ų14581%0.8179%0.791SS**  trans-109136.2150.4-63.7178.9000107.9
388R40.6Very low38.3Very low227 Ų227146.2 Ų146.286%0.85779%0.791SS**  trans-91.7142.3-174.8-72-173.7175.3-167.2-0.2112.8T386T386-R388 HydrophobicContact CG2-CG 4.37Å
389Y35.8Very low37.8Very low221 Ų221147.7 Ų147.787%0.86779%0.791SS**  trans-124.4138152.4-82.2-86.1000109.3
390P48.9Very low37.7Very low119 Ų119151.8 Ų151.877%0.77380%0.795SS**  trans-91.5146.1176.734.8-32.9000112.8
391P46.8Very low37.5Very low115 Ų115151.6 Ų151.675%0.74779%0.794SS**  trans-95.2170.3-179.437.3-35.9000115.4
392H41.1Very low37.5Very low179 Ų179152.6 Ų152.683%0.82980%0.798SS**  trans-43.5151.7-175.8-38.4-82.8000119.5
393L34.4Very low37.9Very low184 Ų184149 Ų14996%0.96379%0.793SS**  trans-141.3157.2140.5-79.4-175.7000111.2
394N35.5Very low38.7Very low148 Ų148150.4 Ų150.479%0.79180%0.8SS**  trans-148.9139.2175.7-175.224.5000105.7
395P44Very low38.4Very low112 Ų112146 Ų14673%0.72779%0.791SS**  -158.7169.1100.341.4-22.5000118
396A32.9Very low37.8Very low95 Ų95150.9 Ų150.979%0.78580%0.795SS**  trans76.2144.7143.300000122.4
397D37.5Very low37.9Very low136 Ų136151.6 Ų151.673%0.72780%0.795SS**  trans-85.8156.2174.2-144.5-46.5000110.2
398P41.4Very low38.2Very low121 Ų121149.1 Ų149.179%0.78679%0.789SS**  -149.7168.510139.2-22.6000117.7
399L36.3Very low37.8Very low158 Ų158143.8 Ų143.883%0.82779%0.786SS**  trans-67.7163.5-176.9-65.3162.9000117.4
400K32.4Very low37.7Very low194 Ų194138.6 Ų138.684%0.84378%0.783SS**  trans102.5106.5152.4-70.2-174.7174.2178.30119.5
401S29.5Very low38Very low103 Ų103138 Ų13872%0.7278%0.779SS**  59.9109.2118.5-174.10000119.9
402Y33.3Very low37.2Very low217 Ų217141.2 Ų141.285%0.85178%0.783SS**  -164.5148.2113-118.2-84.3000112.5
403V41.6Very low36.8Very low129 Ų129137.4 Ų137.478%0.78278%0.777SS**  trans-147.8139.8173175.90000103.3
404P48.5Very low36.8Very low105 Ų105134 Ų13468%0.68277%0.769SS**  cis-140.8-176.739.643.7-26.7000116.5
405S28.6Very low36.7Very low101 Ų101135 Ų13571%0.70677%0.769SS**  -175.1130.3123.2-840000115.3
406Y31.2Very low37Very low224 Ų224135.3 Ų135.388%0.87877%0.771SS**  trans49.5116.8147.9-70.8-83.6000124.1
407D35.3Very low37Very low137 Ų137137.1 Ų137.173%0.73377%0.767SS**  trans-81.9148.8142.5-17648.3000108.3
408P46.9Very low36.7Very low106 Ų106135.1 Ų135.169%0.68876%0.764SS**  -149.7151.977.938.4-19000117.8
409S31.6Very low36.4Very low115 Ų115135.2 Ų135.280%0.80477%0.768SS**  -178.7151.8128-81.50000115.1
410S34.3Very low36.3Very low113 Ų113130.9 Ų130.979%0.7976%0.761SS**  trans-133.4-168.6179.4-141.10000108.5
411P54.3Low36.4Very low106 Ų106131.5 Ų131.569%0.68877%0.767SS**  cis-142.7-155.97.334.9-8.4000115.5
412Q30.9Very low36.7Very low182 Ų182130 Ų13085%0.8577%0.767SS**  trans78.4151.1166.2-61.4-175.2-32.400118.3
413S33.4Very low36.7Very low100 Ų100126.5 Ų126.570%0.69977%0.768SS**  cis-164.7153.2-30.860.20000107.6
414S33.1Very low36.3Very low113 Ų113123.5 Ų123.579%0.7976%0.763SS**  173.9167.568.646.70000111
415Q33.7Very low35.5Very low168 Ų168128.6 Ų128.679%0.78578%0.775SS**  trans-125.2160.8167.5-92.7-165-24.300109.7
416P50.8Low35.7Very low119 Ų119130.4 Ų130.477%0.77378%0.781SS**  -135.9158.9101.837-23.9000112.8
417N32.1Very low36.5Very low132 Ų132125.6 Ų125.671%0.70678%0.777SS**  cis68.5140.245.5-98.2-11.9000114.2
418S31.4Very low36.2Very low94 Ų94122 Ų12266%0.65777%0.773SS**  cis-169.7-170.8-14.3-137.80000111.9
419S35Very low35.7Very low124 Ų124124.6 Ų124.687%0.86778%0.776SS**  trans78.8148.8161.377.30000119.7
420G34.3Very low35.6Very low66 Ų66127.7 Ų127.768%0.6878%0.775SS**  cis162.5150.5-16.100000117.2
421Q35.6Very low35.7Very low208 Ų208128 Ų12897%0.97277%0.772SS**  trans67.4154.6163.6-56.3179.5-8.900117.3
422G35.8Very low35.6Very low71 Ų71128.5 Ų128.573%0.73278%0.776SS**  cis171.1166.3-4.200000108.5
423V33.1Very low35.6Very low144 Ų144126 Ų12687%0.87377%0.773SS**  cis-157152.75.3172.70000105.8
424G33.1Very low35.7Very low65 Ų65128.8 Ų128.867%0.6778%0.779SS**  cis132.9113.21.200000112.4
425K31.1Very low35.8Very low213 Ų213128 Ų12893%0.92678%0.778SS**  trans-148154.4169.1-125.1174.5-176.5177.60111.9
426V33.8Very low36.1Very low138 Ų138125.9 Ų125.984%0.83678%0.779SS**  trans-134-176.2-162.6-112.30000109.8
427P46.2Very low35.4Very low123 Ų123125.6 Ų125.680%0.79978%0.78SS**  cis-139.7179.115.842.7-23.3000118.6
428G30.4Very low36Very low63 Ų63124.6 Ų124.665%0.64978%0.781SS**  trans12096.1162.400000114.9
429H36.3Very low36.1Very low160 Ų160127.3 Ų127.374%0.74178%0.783SS**  60132.573.5-68.2-82.2000114.5
430F29.5Very low36Very low180 Ų180129.7 Ų129.779%0.78978%0.78SS**  cis-151.8162.66.3-117.8-67000110.7
431T36.3Very low35.9Very low120 Ų120130 Ų13074%0.73678%0.783SS**  trans-129.7161.3159.465.80000107.8
432P51.4Low36.4Very low116 Ų116126.1 Ų126.175%0.75378%0.776SS**  -162.7-157.878.237.2-10.6000117
433V31Very low36.1Very low130 Ų130129.2 Ų129.279%0.78878%0.781SS**  trans105.1138.5154-166.60000119.1
434L34.8Very low36.5Very low158 Ų158133.4 Ų133.483%0.82778%0.781SS**  trans-112.5157.8174.8-72.793.5000112.4
435A36Very low37.1Very low95 Ų95136.2 Ų136.279%0.78579%0.787SS**  trans67.9164.9151.400000116.5
436P40.3Very low37.6Very low124 Ų124132 Ų13281%0.80578%0.779SS**  cis-127.9-171.52342.5-25.9000116.6
437S35Very low37.6Very low114 Ų114132 Ų13280%0.79778%0.78SS**  trans-126.8154.9174.8-52.40000111.6
438P46.4Very low37.1Very low111 Ų111133.9 Ų133.972%0.72178%0.782SS**  trans-124.4121.8165.633.2-18.1000115.4
439H32.7Very low37.1Very low150 Ų150136.9 Ų136.969%0.69479%0.793SS**  trans58.7125.1130.8-61.5-70.3000124.2
440H32.1Very low37Very low174 Ų174137.2 Ų137.281%0.80680%0.797SS**  trans42.8138144-40.9-56.3000120.5
441G32.3Very low37.6Very low73 Ų73134.6 Ų134.675%0.75380%0.798SS**  cis100.1149.127.300000111.3
442P46Very low37.3Very low126 Ų126135.7 Ų135.782%0.81880%0.799SS**  cis-139.6-147.9-1.836.3-11.3000114.5
443V30.8Very low36.4Very low136 Ų136136.6 Ų136.682%0.82480%0.803SS**  trans98143.2160.8-171.40000120.3
444R40.2Very low36.5Very low233 Ų233139.5 Ų139.588%0.87981%0.805SS**  trans-128.5160.6173.7-87.1-175.1179.2-175.20.9107.2
445P46.4Very low36.9Very low124 Ų124137.5 Ų137.581%0.80580%0.801SS**  -154.7-156.55144.3-21.1000116.2
446V41.2Very low36.6Very low125 Ų125140.4 Ų140.476%0.75880%0.802SS**  trans-99.3146.7177.5173.10000111.3
447T33.9Very low36.1Very low138 Ų138140 Ų14085%0.84780%0.797SS**  trans-136.5162.9159.748.10000111
448L36.5Very low35.8Very low162 Ų162140.8 Ų140.885%0.84880%0.798SS**  trans-116.1144.9-178.1-68.6164.7000110.8
449S29.7Very low35.2Very low125 Ų125140 Ų14087%0.87480%0.795SS**  trans-177.7153.1140.7-82.10000112.9
450M34.4Very low35.2Very low168 Ų168138.8 Ų138.883%0.82880%0.798SS**  trans-103.7157.8166.4-71.7-78.1-6700108.4
451P41.6Very low35.1Very low124 Ų124138.4 Ų138.481%0.80580%0.796SS**  -151.7-174.284.239.3-18.6000116.4
452D31Very low35.1Very low144 Ų144138 Ų13877%0.7779%0.793SS**  trans-55.1159.3177.4-78.9-91.6000117.9
453T32.2Very low34.3Very low135 Ų135142.1 Ų142.183%0.82879%0.794SS**  175.2152.5112.4-69.50000112.2
454K33.4Very low34.2Very low191 Ų191140.8 Ų140.883%0.8379%0.79SS**  trans-106.2150.1174.2-64.6179.3179.8177.10112.9
455P41.8Very low33.6Very low115 Ų115136 Ų13675%0.74779%0.787SS**  -124.5158.4118.20.521.7000111.4
456I29.8Very low33.5Very low156 Ų156136.3 Ų136.380%0.879%0.789SS**  cis77.9136.340.1-67.1175.9000113.3
457T30.3Very low32.9Very low116 Ų116134.1 Ų134.171%0.71279%0.792SS**  cis-177.2141.1-22.9-78.70000108.5
458T29.7Very low32.6Very low131 Ų131134.2 Ų134.280%0.80479%0.793SS**  trans-174.7141147.326.40000108.2
459S32.3Very low32.7Very low94 Ų94131.5 Ų131.566%0.65779%0.785SS**  cis121.7156.920.178.10000108.7
460T32.7Very low32.7Very low124 Ų124131.9 Ų131.976%0.76178%0.782SS**  cis-155.2166.58.5-16.80000106.2
461E31.4Very low32.5Very low166 Ų166128.1 Ų128.178%0.77677%0.772SS**  cis-127.7-151.47.2-52.5-175.44700110.8
462G31.8Very low32Very low66 Ų66128.5 Ų128.568%0.6877%0.767SS**  cis-179.1-160.45.200000116.6
463Y29.1Very low32.1Very low212 Ų212132.1 Ų132.183%0.83177%0.77SS**  trans-37.4143179.8-67.1-82000118
464S29.4Very low31.9Very low107 Ų107134 Ų13475%0.74877%0.767SS**  cis-148.6165.95.4-83.10000112.8
465T26.9Very low31.7Very low134 Ų134130.7 Ų130.782%0.82276%0.763SS**  trans-103.2-174.7-179.454.20000111.6
466P45.3Very low31Very low129 Ų129128.4 Ų128.484%0.83876%0.76SS**  cis-136.9173.7442.8-25.2000117.6
467G26.7Very low31Very low80 Ų80129.2 Ų129.283%0.82577%0.765SS**  trans159.9100164.700000116.6
468T28.9Very low31.1Very low140 Ų140129.1 Ų129.186%0.85977%0.77SS**  trans-106.3172.8167.542.60000110
469P38.6Very low31.7Very low105 Ų105128.6 Ų128.668%0.68277%0.768SS**  cis-122.4164.612.321.64.5000115.1
470T30.4Very low31.7Very low132 Ų132136 Ų13681%0.8178%0.782SS**  50.315190.298.90000116.7
471S30Very low31.4Very low90 Ų90137.4 Ų137.463%0.62979%0.785SS**  cis-160.6174.27.3-159.60000114.3
472N30Very low32.1Very low132 Ų132134.9 Ų134.971%0.70678%0.783SS**  trans84.6134.8158.7-52.9-25.8000117.4
473R32.6Very low31.9Very low219 Ų219135.8 Ų135.883%0.82678%0.784SS**  cis73.1138.732.1-57.5-169.1177.2-174.20.8113.1
474F29.4Very low31.8Very low174 Ų174134.5 Ų134.576%0.76378%0.783SS**  cis-158.7156.14.9-140.3-134.7000111.8
475V29.4Very low31.8Very low122 Ų122136.9 Ų136.974%0.73979%0.786SS**  trans28.8133.8147178.20000121.7
476G26.8Very low32Very low68 Ų68139 Ų13970%0.70179%0.787SS**  trans-174.985.3162.200000118.8
477L30.1Very low31.2Very low173 Ų173141.5 Ų141.591%0.90679%0.787SS**  trans40.9133.1146.7-52.4176.3000123
478S32.3Very low31.4Very low114 Ų114145.8 Ų145.880%0.79779%0.786SS**  trans-89.6163.5161.5-43.20000111.7
479P41.8Very low31.4Very low120 Ų120148 Ų14878%0.77979%0.786SS**  -155.4157.688.339.6-20.6000119.1
480R31.4Very low30.9Very low249 Ų249150.9 Ų150.994%0.9480%0.795SS**  trans76.2128.8153.7-77.2-179.9171.9170.4-2122.5
481D27.9Very low30.8Very low154 Ų154155.7 Ų155.782%0.82480%0.798SS**  trans-63.6-179166.6-89.7-59.4000116.5
482P44.3Very low30.5Very low113 Ų113159.7 Ų159.773%0.73480%0.804SS**  cis-138.9156.3-24.332.2-14.9000115
483A27.7Very low30.4Very low85 Ų85159.3 Ų159.370%0.70281%0.81SS**  trans-171.4165147.700000114.4
484F27.1Very low30Very low185 Ų185155.4 Ų155.481%0.81181%0.806SS**  trans87.7108.7163.4-73.6-83.3000121.7
485L31.1Very low29.8Very low157 Ų157157.3 Ų157.382%0.82281%0.808SS**  trans36.5112.3138.6-58.3178.1000119.6
486H29.3Very low29.7Very low179 Ų179157 Ų15783%0.82981%0.811SS**  trans-108.3110.2152.9-164.471.8000110.3
487Q28.8Very low29.8Very low181 Ų181158.6 Ų158.685%0.84681%0.808SS**  trans-78.1117.5-179.3-171.717935.700109.8Q489Q487-Q489 PolarHBondContact O-N 2.69Å
488Q31.1Very low29.8Very low170 Ų170156.5 Ų156.579%0.79480%0.802SS**  trans-75.6125.9178.7-77.8-166.6-11.300112L490Q488-L490 PolarHBondContact O-N 2.92Å; Q488-L490 VanDerWaalsContact O-N 3.15Å
489Q28.7Very low29.6Very low187 Ų187159.6 Ų159.687%0.87480%0.804SS**  trans-74.298.4178.1-173-179.515.800110.9Q487 R491Q487-Q489 PolarHBondContact O-N 2.69Å; Q489-R491 PolarHBondContact O-N 2.85Å
490L28Very low29Very low165 Ų165161.8 Ų161.886%0.86481%0.809SS**  trans-67.1114.4172.6-71171.3000110.5Q488 K492Q488-L490 PolarHBondContact O-N 2.92Å; Q488-L490 VanDerWaalsContact O-N 3.15Å; L490-K492 PolarHBondContact O-N 2.67Å
491R28.2Very low28.7Very low233 Ų233153.3 Ų153.388%0.87980%0.799SS**  trans-75116.1161.6-70.3-173.7-177.4179.30.6108.5Q489Q489-R491 PolarHBondContact O-N 2.85Å
492K24.5Very low28.8Very low174 Ų174157.5 Ų157.576%0.75780%0.803SS**  trans-66141158.2-72.4-175.1173.7-173.10109L490L490-K492 PolarHBondContact O-N 2.67Å
493C27.7Very low28.1Very low123 Ų123160.8 Ų160.883%0.83181%0.808SS**  trans-110.396.9157.1-67.10000106.1
494D24.5Very low28.1Very low137 Ų137167.5 Ų167.573%0.73382%0.817SS**  trans-72.3132.5173.4-62-57.2000108.9
495W26.1Very low28.1Very low214 Ų214162 Ų16281%0.81181%0.813SS**  trans-102.6122177.466.2-72.9000108.5V497W495-V497 HydrophobicContact CE3-CB 4.21Å; W495-V497 HydrophobicContact CE3-CG2 4.16Å; W495-V497 HydrophobicContact CZ3-CB 3.73Å; W495-V497 HydrophobicContact CZ3-CG2 3.62Å
496S27.5Very low28.9Very low115 Ų115160.4 Ų160.480%0.80481%0.812SS**  trans-95.4114.8175.342.20000109.9
497V28.4Very low28.9Very low103 Ų103157.5 Ų157.562%0.62481%0.812SS**  trans-87.2121.5166.7118.80000109.4W495 Q499W495-V497 HydrophobicContact CE3-CB 4.21Å; W495-V497 HydrophobicContact CE3-CG2 4.16Å; W495-V497 HydrophobicContact CZ3-CB 3.73Å; W495-V497 HydrophobicContact CZ3-CG2 3.62Å; V497-Q499 HydrophobicContact CG1-CG 4.34Å
498T29.5Very low28.9Very low129 Ų129152.6 Ų152.679%0.79180%0.802SS**  trans-86.5106.4169.536.40000109.2
499Q28.5Very low28.9Very low178 Ų178150.4 Ų150.483%0.83280%0.8SS**  trans-75129.9166.3-73.6-166.6-7.900110.2V497V497-Q499 HydrophobicContact CG1-CG 4.34Å
500N29.1Very low29Very low167 Ų167148.1 Ų148.189%0.89379%0.794SS**  trans-123106.8161-91.6-34000107.3
501G25.6Very low29.2Very low70 Ų70146.7 Ų146.772%0.72279%0.788SS**  trans-97.9149.6-178.500000113.3
502R29.5Very low29.2Very low243 Ų243141.4 Ų141.492%0.91778%0.781SS**  trans-141.5121151.5-78.4-162.7171.5-160.6-3.3109.2
503H28.8Very low29.6Very low182 Ų182141.7 Ų141.784%0.84379%0.79SS**  trans-91.2146.2170.1-84.9-88.5000110.9
504Y28.2Very low29.5Very low225 Ų225139.4 Ų139.488%0.88279%0.788SS**  trans-136.9144.9144.1-86-86.9000107
505G27.4Very low29.8Very low71 Ų71140.9 Ų140.973%0.73279%0.793SS**  trans-132.6-156.5175.300000110.1
506P48.3Very low29.8Very low122 Ų122134.7 Ų134.779%0.79279%0.788SS**  cis-136.2-165.38.143.5-26.1000114.9
507S28.8Very low29.8Very low119 Ų119141.5 Ų141.583%0.83280%0.797SS**  trans73.5142.4168.5-80.30000118.1
508A28.4Very low29.6Very low77 Ų77145 Ų14564%0.63681%0.806SS**  cis-153.1161.9-3.600000111.7
509T31.3Very low30Very low124 Ų124144.7 Ų144.776%0.76181%0.809SS**  trans37.1135.715352.70000120.2
510D30.3Very low30.3Very low139 Ų139142.1 Ų142.174%0.74381%0.808SS**  cis-156.9176.922.8-131.7-10.6000113.5
511D32.2Very low30.2Very low136 Ų136137.7 Ų137.773%0.72780%0.802SS**  trans6.6118.6172.6-72.5-29.5000120
512T29.5Very low30.4Very low121 Ų121141 Ų14174%0.74281%0.808SS**  cis75.484.344.1-490000115.8
513L33.1Very low30.5Very low181 Ų181141.6 Ų141.695%0.94881%0.81SS**  trans-143.6113.5140-82.5-173.1000109.7
514G25.4Very low30.4Very low75 Ų75137.4 Ų137.477%0.77381%0.808SS**  trans-110.2132.6176.700000112
515I30.8Very low30.5Very low167 Ų167132.2 Ų132.286%0.85680%0.804SS**  trans-128.9132168.3-60.2-177.8000108.2
516A25.8Very low30.4Very low85 Ų85136.8 Ų136.870%0.70281%0.811SS**  trans-83.3142.9-174.400000112.5Q518A516-Q518 PolarHBondContact O-N 3.47Å; A516-Q518 VanDerWaalsContact O-N 3.14Å
517W26.8Very low29.4Very low258 Ų258136.6 Ų136.698%0.97781%0.807SS**  trans-72.7101.7170.8-74.193.7000110.7
518Q25.4Very low29.6Very low176 Ų176136.6 Ų136.682%0.82280%0.804SS**  trans-92.7125.3162.5-68.2-171.2400109.8A516 P520A516-Q518 PolarHBondContact O-N 3.47Å; A516-Q518 VanDerWaalsContact O-N 3.14Å; Q518-P520 WeakPolarHBondContact O-CD 3.48Å
519S36.1Very low29.5Very low123 Ų123142.5 Ų142.586%0.8682%0.816SS**  trans-87.3129.3165-61.50000110
520P35.3Very low29.4Very low124 Ų124144.9 Ų144.981%0.80582%0.818SS**  trans-127111.6156.433.5-19.2000111.3Q518Q518-P520 WeakPolarHBondContact O-CD 3.48Å
521G27.2Very low29.4Very low74 Ų74145 Ų14576%0.76382%0.823SS**  trans-105.4113154.800000108.8
522T30.5Very low29.4Very low138 Ų138143.1 Ų143.185%0.84782%0.821SS**  trans-168.8147.1154.1-76.90000108.1
523W31.2Very low29.6Very low256 Ų256145.7 Ų145.797%0.9783%0.83SS**  trans-81140.3-173.3-66.963.1000112
524A26.7Very low29.5Very low95 Ų95140.7 Ų140.779%0.78582%0.823SS**  trans-130.9134.716400000109.1
525S29.3Very low29.8Very low116 Ų116143.6 Ų143.681%0.81183%0.826SS**  trans-78.5139.3-179.5-172.70000111
526L26.7Very low29.9Very low167 Ų167141.5 Ų141.587%0.87482%0.823SS**  trans-128.6129.5168-74177.1000110.5
527V27.6Very low30.2Very low118 Ų118145.2 Ų145.272%0.71583%0.829SS**PPolyproline II helixtrans-78.6135.4179.7-179.40000109.2F529V527-F529 PolarHBondContact O-N 3.03Å
528P31.7Very low30.4Very low118 Ų118140.1 Ų140.177%0.76682%0.821SS**PPolyproline II helixtrans-70.8117.8176.128.5-33.7000110.8
529F26.1Very low30.6Very low201 Ų201137.7 Ų137.788%0.88282%0.82SS**PPolyproline II helixtrans-70.3138.1166.8-95.7-96.5000110.6V527V527-F529 PolarHBondContact O-N 3.03Å
530Q29Very low30.3Very low175 Ų175138 Ų13882%0.81882%0.817SS**PPolyproline II helixtrans-70.2132.6173.3-77.7-83.5-5600110.7
531V31.5Very low30.1Very low140 Ų140139.4 Ų139.485%0.84882%0.817SS**  trans-123.4106.7156.8179.40000107.3
532S31.3Very low30.3Very low98 Ų98141.4 Ų141.469%0.68582%0.815SS**  trans-88.8119.9-179.354.80000111.3
533N34.5Very low30.3Very low174 Ų174142.8 Ų142.893%0.9381%0.811SS**  trans-150.8127.9148.9-105.8-22.1000108.3
534G30.8Very low30.3Very low76 Ų76137.9 Ų137.978%0.78480%0.799SS**  trans-116.3132.2-163.300000114.1
535T31.5Very low30.5Very low136 Ų136140.4 Ų140.483%0.83480%0.799SS**  trans-139.4127.9155.5-25.90000107.4
536P32.8Very low30.5Very low124 Ų124144.9 Ų144.981%0.80580%0.8SS**  trans-82.3138.5-171.931.4-34.6000112.6
537I31.5Very low30.5Very low163 Ų163141.7 Ų141.784%0.83679%0.792SS**  trans-125.5130.7165.2-58.1-178.8000107.6
538L32.2Very low30.7Very low151 Ų151142.9 Ų142.979%0.79179%0.792SS**  trans-70.9146.5179.5-108.872000111.6T540L538-T540 PolarHBondContact O-N 3.24Å
539P28.9Very low30.5Very low125 Ų125144.2 Ų144.281%0.81279%0.793SS**  trans-78.5107.5175.731-33000111.5
540T29.2Very low30.7Very low129 Ų129142.1 Ų142.179%0.79179%0.789SS**  trans-84117.5168.139.80000110.9L538 V542L538-T540 PolarHBondContact O-N 3.24Å; T540-V542 PolarHBondContact O-N 2.59Å
541N32.8Very low30.9Very low153 Ų153141.3 Ų141.382%0.81879%0.789SS**  trans-69.1122.4174.1-122.9-73.7000110.2
542V29.9Very low30.8Very low117 Ų117138 Ų13871%0.70978%0.784SS**  trans-135.694.6168.2-173.20000110.4T540T540-V542 PolarHBondContact O-N 2.59Å
543H30.7Very low30.7Very low166 Ų166142 Ų14277%0.76979%0.791SS**  trans-69.4129.5154.1-100.4-99000108.9
544Q31Very low30.7Very low153 Ų153139.4 Ų139.472%0.71578%0.784SS**  trans-158.1138.4150.3-114.9156.726.500113.1
545N31.2Very low30.8Very low148 Ų148144.1 Ų144.179%0.79179%0.791SS**  trans-90.8130.1175.3-65-73.5000109.4S547N545-S547 PolarHBondContact O-N 2.86Å
546Y29.9Very low30.7Very low210 Ų210143.9 Ų143.982%0.82479%0.788SS**  trans-91.183.9171.4-75.8-77.2000111.7
547S26.9Very low31Very low100 Ų100143.8 Ų143.870%0.69979%0.788SS**  trans-9199.8165.256.40000110N545 N549N545-S547 PolarHBondContact O-N 2.86Å; S547-N549 PolarHBondContact O-N 2.64Å
548I31Very low31Very low143 Ų143140.7 Ų140.773%0.73379%0.786SS**  trans-76.4106-179.5-59.6175.8000109.9I550I548-I550 HydrophobicContact CG2-CD1 4.34Å; I548-I550 HydrophobicContact CG2-CG1 3.94Å
549N28.2Very low31.2Very low147 Ų147143.1 Ų143.179%0.78679%0.794SS**  trans-92.8132.7161.7-82.3-38.5000109.2S547S547-N549 PolarHBondContact O-N 2.64Å
550I30.5Very low31.6Very low156 Ų156143 Ų14380%0.880%0.796SS**  trans-115.5108.3171.2-59.3175.6000107.7I548I548-I550 HydrophobicContact CG2-CD1 4.34Å; I548-I550 HydrophobicContact CG2-CG1 3.94Å
551I32.4Very low31.8Very low158 Ų158140 Ų14081%0.8179%0.791SS**  trans-122.9130.8163.5-62.9172000105
552G29.9Very low31.8Very low71 Ų71144.5 Ų144.573%0.73282%0.815SS**  trans-112.2131.8179.300000110.9
553E28.9Very low31.9Very low181 Ų181145.9 Ų145.985%0.84682%0.82SS**  trans-111.4154.3163.7-72.8-148.8126.700110.2
554P35.3Very low32Very low121 Ų121144.8 Ų144.879%0.78682%0.823SS**PPolyproline II helixtrans-82.3138.1-177.632.9-34.1000112.2
555L31.1Very low32Very low175 Ų175144.3 Ų144.392%0.91683%0.829SS**PPolyproline II helixtrans-87.9133.5169.9-78.7164.8000111
556V30.7Very low32.1Very low130 Ų130144.1 Ų144.179%0.78883%0.831SS**PPolyproline II helixtrans-85.9135.7169.7-179.40000108.6
557P39.2Very low32.2Very low123 Ų123140 Ų14080%0.79983%0.831SS**PPolyproline II helixtrans-72132.2174.329.8-33.8000110.8
558A32Very low32.6Very low97 Ų97142.7 Ų142.780%0.80284%0.84SS**PPolyproline II helixtrans-97.2143.5171.600000110.5
559E36Very low32.7Very low202 Ų202142.6 Ų142.694%0.94485%0.848SS**PPolyproline II helixtrans-76.8140.1178.5-64.6179.2109.600112.4
560S37.7Very low33Very low124 Ų124142.3 Ų142.387%0.86785%0.853SS**  trans-159.9148.1157.458.60000109.3
561G32.6Very low33.2Very low66 Ų66141.2 Ų141.268%0.6886%0.857SS**  cis163.9-0-1.100000116.6
562N32.8Very low33.3Very low246 Ų246139.6 Ų139.6100%1.31686%0.861SS**  trans-174.40156.7-92.2-31.2000108.9

Retrieved 562 of 562 residues in 152.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).