A0A077ZJR0_TRITR Loading...

Cytochrom NNT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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
1M66.5Low88.3Confident85 Ų8558.5 Ų58.542%0.41933%0.329SS..  0133.30-174.9-169-57.600111.8K3 P4 E50 I56 F62M1-K3 HydrophobicContact CG-CB 4.43Å; M1-P4 HydrophobicContact CG-CG 4.42Å; M1-P4 VanDerWaalsContact SD-CD 3.53Å; M1-P4 HydrophobicContact SD-CG 3.7Å; M1-E50 WeakPolarHBondContact CB-OE1 3.2Å; M1-E50 PolarHBondContact N-OE1 3.28Å; M1-I56 HydrophobicContact CE-CB 3.96Å; M1-I56 HydrophobicContact CE-CD1 4.26Å; M1-I56 HydrophobicContact CE-CG1 4.38Å; M1-I56 WeakPolarHBondContact CE-O 3.21Å; M1-F62 HydrophobicContact CE-CB 3.61Å; M1-F62 HydrophobicContact CE-CD2 3.35Å; M1-F62 HydrophobicContact CE-CE2 4.22Å; M1-F62 HydrophobicContact CE-CG 3.69Å; M1-F62 HydrophobicContact SD-CB 3.93Å; M1-F62 HydrophobicContact SD-CD1 4.06Å; M1-F62 HydrophobicContact SD-CD2 3.17Å; M1-F62 WeakPolarHBondContact SD-CD2 3.3Å; M1-F62 HydrophobicContact SD-CE1 4.36Å; M1-F62 HydrophobicContact SD-CE2 3.57Å; M1-F62 VanDerWaalsContact SD-CE2 3.57Å; M1-F62 HydrophobicContact SD-CG 3.44Å; M1-F62 WeakPolarHBondContact SD-CG 3.41Å; M1-F62 HydrophobicContact SD-CZ 4.16Å
2S80Confident88.8Confident61 Ų6162.6 Ų62.643%0.42736%0.356SS..  trans-101.7-21.3177.558.50000114.1F5 E6S2-F5 WeakPolarHBondContact O-CA 3.29Å; S2-F5 VanDerWaalsContact O-CB 3.3Å; S2-F5 WeakPolarHBondContact O-CB 3.33Å; S2-F5 PolarHBondContact O-N 3.06Å; S2-E6 WeakPolarHBondContact CB-OE1 3.34Å; S2-E6 PolarHBondContact O-N 2.67Å; S2-E6 PolarHBondContact OG-OE1 3.25Å
3K85.9Confident89.3Confident50 Ų5061.5 Ų61.522%0.21735%0.346CS..Hα-helixtrans-54.6-47.3-171.8-171.3173.2-165.9172.20115.6M1 F5 E6 E7 F62 E63M1-K3 HydrophobicContact CG-CB 4.43Å; K3-F5 PolarHBondContact O-N 2.88Å; K3-E6 PolarHBondContact O-N 3.11Å; K3-E7 WeakPolarHBondContact O-CG 3.28Å; K3-E7 PolarHBondContact O-N 2.91Å; K3-F62 HydrophobicContact CD-CD1 4.06Å; K3-F62 HydrophobicContact CD-CE1 4.29Å; K3-E63 WeakPolarHBondContact CD-OE1 3.24Å; K3-E63 WeakPolarHBondContact CE-OE1 3.43Å; K3-E63 IonicContact NZ-OE1 3.44Å; K3-E63 PolarHBondContact NZ-OE1 3.39Å
4P88.6Confident89.8Confident31 Ų3160.1 Ų60.120%0.20133%0.334CS..Hα-helixtrans-59.3-35.7175.7-24.334.2000112.7M1 Y8 F62 H126M1-P4 HydrophobicContact CG-CG 4.42Å; M1-P4 VanDerWaalsContact SD-CD 3.53Å; M1-P4 HydrophobicContact SD-CG 3.7Å; P4-Y8 VanDerWaalsContact O-CB 3.29Å; P4-Y8 WeakPolarHBondContact O-CB 3.4Å; P4-Y8 PolarHBondContact O-N 3.14Å; P4-F62 HydrophobicContact CG-CE1 4.31Å; P4-F62 HydrophobicContact CG-CE2 4.05Å; P4-F62 HydrophobicContact CG-CZ 3.72Å; P4-H126 PolarHBondContact O-CE1 3.45Å; P4-H126 PolarHBondContact O-ND1 3.46Å
5F90.4Very high90.1Very high99 Ų9961.4 Ų61.443%0.43435%0.349SS..Hα-helixtrans-69.2-43.3177.3179.6-102.7000111.5S2 K3 E7 Y8 Q9S2-F5 WeakPolarHBondContact O-CA 3.29Å; S2-F5 VanDerWaalsContact O-CB 3.3Å; S2-F5 WeakPolarHBondContact O-CB 3.33Å; S2-F5 PolarHBondContact O-N 3.06Å; K3-F5 PolarHBondContact O-N 2.88Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-E7 PolarHBondContact O-N 2.92Å; F5-Y8 HydrophobicContact CD2-CD1 4.06Å; F5-Y8 HydrophobicContact CE2-CD1 4.29Å; F5-Y8 HydrophobicContact CE2-CE1 4.42Å; F5-Y8 WeakPolarHBondContact O-CB 3.44Å; F5-Y8 PolarHBondContact O-N 3.27Å; F5-Q9 HydrophobicContact CD1-CG 4.3Å; F5-Q9 VanDerWaalsContact CE1-CD 3.43Å; F5-Q9 HydrophobicContact CE1-CG 3.99Å; F5-Q9 VanDerWaalsContact CE1-NE2 3.27Å; F5-Q9 HydrophobicContact CZ-CG 4.13Å; F5-Q9 WeakPolarHBondContact O-CG 3.33Å; F5-Q9 PolarHBondContact O-N 3.48Å
6E91.9Very high90.3Very high108 Ų10861.1 Ų61.151%0.50535%0.347SS..Hα-helixtrans-60-41.6175.8-68.2167.7-153.300112S2 K3 Q9S2-E6 WeakPolarHBondContact CB-OE1 3.34Å; S2-E6 PolarHBondContact O-N 2.67Å; S2-E6 PolarHBondContact OG-OE1 3.25Å; K3-E6 PolarHBondContact O-N 3.11Å; E6-Q9 PolarHBondContact O-N 3.04Å
7E93.4Very high90.6Very high19 Ų1968.9 Ų68.99%0.08938%0.379CS..Hα-helixtrans-64.6-45.5174.7-68.1176.6-167.900111.7K3 F5 Q9 G10 R66 A125 H126 F127K3-E7 WeakPolarHBondContact O-CG 3.28Å; K3-E7 PolarHBondContact O-N 2.91Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-E7 PolarHBondContact O-N 2.92Å; E7-Q9 VanDerWaalsContact C-N 3.25Å; E7-Q9 PolarHBondContact O-N 3Å; E7-G10 PolarHBondContact O-N 2.88Å; E7-R66 IonicContact OE1-CZ 3.28Å; E7-R66 IonicContact OE1-NH1 2.68Å; E7-R66 PolarHBondContact OE1-NH1 3.17Å; E7-R66 IonicContact OE1-NH2 3.44Å; E7-R66 PolarHBondContact OE1-NH2 2.92Å; E7-R66 IonicContact OE2-CZ 2.91Å; E7-R66 IonicContact OE2-NH1 2.67Å; E7-R66 PolarHBondContact OE2-NH1 3.41Å; E7-R66 IonicContact OE2-NH2 3.44Å; E7-A125 CarbonylContact C-O 3.46Å; E7-H126 VanDerWaalsContact OE2-CA 3.26Å; E7-H126 WeakPolarHBondContact OE2-CA 3.34Å; E7-H126 WeakPolarHBondContact OE2-CB 3.33Å; E7-F127 HydrophobicContact CG-CD2 3.69Å; E7-F127 HydrophobicContact CG-CE2 3.72Å; E7-F127 WeakPolarHBondContact OE1-CD2 3.4Å; E7-F127 PolarHBondContact OE2-N 3.11Å
8Y93.8Very high90.8Very high11 Ų1174.4 Ų74.44%0.04340%0.399CS..Hα-helixtrans-59.1-36.6177.8160.9-112.5000112.3P4 F5 G10 T11 H13 F14 R21 A22 A125P4-Y8 VanDerWaalsContact O-CB 3.29Å; P4-Y8 WeakPolarHBondContact O-CB 3.4Å; P4-Y8 PolarHBondContact O-N 3.14Å; F5-Y8 HydrophobicContact CD2-CD1 4.06Å; F5-Y8 HydrophobicContact CE2-CD1 4.29Å; F5-Y8 HydrophobicContact CE2-CE1 4.42Å; F5-Y8 WeakPolarHBondContact O-CB 3.44Å; F5-Y8 PolarHBondContact O-N 3.27Å; Y8-G10 PolarHBondContact O-N 2.81Å; Y8-G10 VanDerWaalsContact O-N 3.15Å; Y8-T11 WeakPolarHBondContact O-CB 3.37Å; Y8-T11 VanDerWaalsContact O-CG2 3.29Å; Y8-T11 WeakPolarHBondContact O-CG2 3.48Å; Y8-T11 PolarHBondContact O-N 2.7Å; Y8-T11 PolarHBondContact O-OG1 3.32Å; Y8-H13 HydrophobicContact CE2-CB 4.28Å; Y8-F14 HydrophobicContact CD1-CD2 4.05Å; Y8-F14 HydrophobicContact CD2-CB 4.34Å; Y8-F14 HydrophobicContact CE1-CB 4.18Å; Y8-F14 AromaticContact CE1-CD2 3.39Å; Y8-F14 HydrophobicContact CE1-CD2 3.39Å; Y8-F14 HydrophobicContact CE1-CE2 4.19Å; Y8-F14 HydrophobicContact CE1-CG 4.22Å; Y8-F14 HydrophobicContact CE2-CB 3.94Å; Y8-F14 AromaticContact CZ-CD2 3.69Å; Y8-F14 VanDerWaalsContact O-CB 3.23Å; Y8-F14 WeakPolarHBondContact O-CB 3.32Å; Y8-R21 VanDerWaalsContact OH-CG 3.31Å; Y8-R21 WeakPolarHBondContact OH-CG 3.4Å; Y8-A22 WeakPolarHBondContact CE2-O 3.47Å; Y8-A22 VanDerWaalsContact CZ-O 3.29Å; Y8-A22 PolarHBondContact OH-O 3.33Å; Y8-A125 WeakPolarHBondContact CA-O 3.42Å; Y8-A125 HydrophobicContact CD2-CB 4.41Å; Y8-A125 PolarHBondContact N-O 3.11Å
9Q94.4Very high91Very high84 Ų8474.5 Ų74.539%0.39342%0.419SS..Hα-helixtrans-60.2-23.8176.6-74.2-178.9-49.900113.6F5 E6 E7 T11 F14F5-Q9 HydrophobicContact CD1-CG 4.3Å; F5-Q9 VanDerWaalsContact CE1-CD 3.43Å; F5-Q9 HydrophobicContact CE1-CG 3.99Å; F5-Q9 VanDerWaalsContact CE1-NE2 3.27Å; F5-Q9 HydrophobicContact CZ-CG 4.13Å; F5-Q9 WeakPolarHBondContact O-CG 3.33Å; F5-Q9 PolarHBondContact O-N 3.48Å; E6-Q9 PolarHBondContact O-N 3.04Å; E7-Q9 VanDerWaalsContact C-N 3.25Å; E7-Q9 PolarHBondContact O-N 3Å; Q9-T11 VanDerWaalsContact C-N 3.25Å; Q9-T11 PolarHBondContact O-N 3.44Å; Q9-F14 HydrophobicContact CB-CD1 4.15Å; Q9-F14 HydrophobicContact CB-CE1 4.19Å; Q9-F14 HydrophobicContact CB-CG 4.44Å; Q9-F14 HydrophobicContact CG-CD1 4.29Å; Q9-F14 HydrophobicContact CG-CD2 4.25Å; Q9-F14 HydrophobicContact CG-CE1 4.02Å; Q9-F14 HydrophobicContact CG-CE2 3.96Å; Q9-F14 HydrophobicContact CG-CG 4.4Å; Q9-F14 HydrophobicContact CG-CZ 3.84Å; Q9-F14 VanDerWaalsContact O-CD1 3.28Å; Q9-F14 WeakPolarHBondContact O-CD1 3.26Å
10G91.7Very high91.2Very high74 Ų7477 Ų7776%0.76343%0.43SS*.THydrogen-bonded Turntrans-78.4-0.3176.100000115E7 Y8E7-G10 PolarHBondContact O-N 2.88Å; Y8-G10 PolarHBondContact O-N 2.81Å; Y8-G10 VanDerWaalsContact O-N 3.15Å
11T94.5Very high91.3Very high21 Ų2179 Ų7913%0.12943%0.431CS..SBendtrans-104157.7-166.174.30000113.1Y8 Q9 H13 F14 S15 I124Y8-T11 WeakPolarHBondContact O-CB 3.37Å; Y8-T11 VanDerWaalsContact O-CG2 3.29Å; Y8-T11 WeakPolarHBondContact O-CG2 3.48Å; Y8-T11 PolarHBondContact O-N 2.7Å; Y8-T11 PolarHBondContact O-OG1 3.32Å; Q9-T11 VanDerWaalsContact C-N 3.25Å; Q9-T11 PolarHBondContact O-N 3.44Å; T11-H13 PolarHBondContact O-N 2.89Å; T11-H13 PolarHBondContact OG1-N 2.93Å; T11-F14 PolarHBondContact O-N 3.3Å; T11-F14 VanDerWaalsContact O-N 3.1Å; T11-F14 PolarHBondContact OG1-N 2.9Å; T11-S15 PolarHBondContact O-N 3.33Å; T11-S15 VanDerWaalsContact O-N 3.09Å; T11-I124 WeakPolarHBondContact CG2-O 3.46Å
12V94.5Very high92.6Very high108 Ų10875.8 Ų75.866%0.65542%0.418SS*.THydrogen-bonded Turntrans-64.9-19.2172.4-62.80000113.2S15 N16V12-S15 WeakPolarHBondContact CA-O 3.44Å; V12-N16 WeakPolarHBondContact O-CB 3.38Å; V12-N16 PolarHBondContact O-ND2 3.39Å
13H95.8Very high93.3Very high48 Ų4877.3 Ų77.322%0.22242%0.418CS..THydrogen-bonded Turntrans-76.4-26.5174.8-74.294.9000112.3Y8 T11 A22 H89Y8-H13 HydrophobicContact CE2-CB 4.28Å; T11-H13 PolarHBondContact O-N 2.89Å; T11-H13 PolarHBondContact OG1-N 2.93Å; H13-A22 HydrophobicContact CB-CB 4.44Å; H13-A22 PolarHBondContact O-N 2.91Å; H13-H89 AromaticContact NE2-NE2 3.67Å
14F95.5Very high93.5Very high42 Ų4278.4 Ų78.418%0.18443%0.431CS..THydrogen-bonded Turntrans-83.4-43172.4-179.7-102.7000112.7Y8 Q9 T11 R21Y8-F14 HydrophobicContact CD1-CD2 4.05Å; Y8-F14 HydrophobicContact CD2-CB 4.34Å; Y8-F14 HydrophobicContact CE1-CB 4.18Å; Y8-F14 AromaticContact CE1-CD2 3.39Å; Y8-F14 HydrophobicContact CE1-CD2 3.39Å; Y8-F14 HydrophobicContact CE1-CE2 4.19Å; Y8-F14 HydrophobicContact CE1-CG 4.22Å; Y8-F14 HydrophobicContact CE2-CB 3.94Å; Y8-F14 AromaticContact CZ-CD2 3.69Å; Y8-F14 VanDerWaalsContact O-CB 3.23Å; Y8-F14 WeakPolarHBondContact O-CB 3.32Å; Q9-F14 HydrophobicContact CB-CD1 4.15Å; Q9-F14 HydrophobicContact CB-CE1 4.19Å; Q9-F14 HydrophobicContact CB-CG 4.44Å; Q9-F14 HydrophobicContact CG-CD1 4.29Å; Q9-F14 HydrophobicContact CG-CD2 4.25Å; Q9-F14 HydrophobicContact CG-CE1 4.02Å; Q9-F14 HydrophobicContact CG-CE2 3.96Å; Q9-F14 HydrophobicContact CG-CG 4.4Å; Q9-F14 HydrophobicContact CG-CZ 3.84Å; Q9-F14 VanDerWaalsContact O-CD1 3.28Å; Q9-F14 WeakPolarHBondContact O-CD1 3.26Å; T11-F14 PolarHBondContact O-N 3.3Å; T11-F14 VanDerWaalsContact O-N 3.1Å; T11-F14 PolarHBondContact OG1-N 2.9Å; F14-R21 VanDerWaalsContact O-CZ 3.32Å; F14-R21 PolarHBondContact O-NE 2.73Å; F14-R21 PolarHBondContact O-NH2 2.9Å
15S94.5Very high93.6Very high80 Ų8079.2 Ų79.256%0.55944%0.441SS*.SBendtrans-141.8121.3-177-168.90000111.7T11 V12T11-S15 PolarHBondContact O-N 3.33Å; T11-S15 VanDerWaalsContact O-N 3.09Å; V12-S15 WeakPolarHBondContact CA-O 3.44Å
16N94.4Very high93.8Very high57 Ų5777.1 Ų77.131%0.30543%0.434SS..  trans-147167.5177.958.568000111.6V12 K18 G19 I20V12-N16 WeakPolarHBondContact O-CB 3.38Å; V12-N16 PolarHBondContact O-ND2 3.39Å; N16-K18 PolarHBondContact O-N 2.84Å; N16-K18 VanDerWaalsContact O-N 3.14Å; N16-K18 WeakPolarHBondContact OD1-CA 3.34Å; N16-K18 WeakPolarHBondContact OD1-CB 3.44Å; N16-K18 PolarHBondContact OD1-N 2.95Å; N16-G19 PolarHBondContact O-N 2.89Å; N16-G19 PolarHBondContact OD1-N 2.86Å; N16-G19 VanDerWaalsContact OD1-N 3.12Å; N16-I20 PolarHBondContact ND2-O 2.86Å; N16-I20 PolarHBondContact OD1-N 2.98Å
17Q95.2Very high93.8Very high194 Ų19474.2 Ų74.291%0.90743%0.425SS*.THydrogen-bonded Turntrans-65.2-15.5-178.2-61.9-179.8200114.2
18K94.3Very high93.7Very high168 Ų16877.5 Ų77.573%0.7344%0.44SS*.THydrogen-bonded Turntrans-93.3-7.6-177.6-56.2-57.1-175.9-177.20112.8N16 I20N16-K18 PolarHBondContact O-N 2.84Å; N16-K18 VanDerWaalsContact O-N 3.14Å; N16-K18 WeakPolarHBondContact OD1-CA 3.34Å; N16-K18 WeakPolarHBondContact OD1-CB 3.44Å; N16-K18 PolarHBondContact OD1-N 2.95Å; K18-I20 HydrophobicContact CB-CD1 4.36Å; K18-I20 HydrophobicContact CB-CG1 4.44Å; K18-I20 PolarHBondContact O-N 3.14Å
19G94.2Very high93.4Very high75 Ų7579.9 Ų79.977%0.77345%0.453SS*.  trans69.120.4178.800000114.1N16N16-G19 PolarHBondContact O-N 2.89Å; N16-G19 PolarHBondContact OD1-N 2.86Å; N16-G19 VanDerWaalsContact OD1-N 3.12Å
20I93.9Very high93Very high124 Ų12477 Ų7764%0.63644%0.442SS*.  trans-99136.2176.7-60.2170.7000108.1N16 K18N16-I20 PolarHBondContact ND2-O 2.86Å; N16-I20 PolarHBondContact OD1-N 2.98Å; K18-I20 HydrophobicContact CB-CD1 4.36Å; K18-I20 HydrophobicContact CB-CG1 4.44Å; K18-I20 PolarHBondContact O-N 3.14Å
21R94.6Very high92.6Very high120 Ų12079.7 Ų79.745%0.45343%0.432SS..  trans-122.3130.8175.8-179.3167.5-68.3155.60.2110.1Y8 F14 E23Y8-R21 VanDerWaalsContact OH-CG 3.31Å; Y8-R21 WeakPolarHBondContact OH-CG 3.4Å; F14-R21 VanDerWaalsContact O-CZ 3.32Å; F14-R21 PolarHBondContact O-NE 2.73Å; F14-R21 PolarHBondContact O-NH2 2.9Å; R21-E23 WeakPolarHBondContact CD-OE1 3.27Å
22A94.2Very high92Very high18 Ų1883 Ų8315%0.14946%0.457CS..  trans-96.512116700000108Y8 H13 D26Y8-A22 WeakPolarHBondContact CE2-O 3.47Å; Y8-A22 VanDerWaalsContact CZ-O 3.29Å; Y8-A22 PolarHBondContact OH-O 3.33Å; H13-A22 HydrophobicContact CB-CB 4.44Å; H13-A22 PolarHBondContact O-N 2.91Å; A22-D26 HydrophobicContact CB-CB 4.47Å
23E93Very high91.5Very high93 Ų9380.4 Ų80.444%0.43545%0.451SS..  trans-84166.8-178.9-63.2-64.716300111.4R21 A25 D26R21-E23 WeakPolarHBondContact CD-OE1 3.27Å; E23-A25 PolarHBondContact O-N 2.81Å; E23-A25 VanDerWaalsContact O-N 3.13Å; E23-D26 PolarHBondContact N-OD2 2.99Å; E23-D26 WeakPolarHBondContact O-CB 3.46Å; E23-D26 PolarHBondContact O-N 2.86Å
24C91.7Very high90.9Very high72 Ų7283.6 Ų83.649%0.48647%0.467SS..Hα-helixtrans-50.6-43.3-178.4-48.20000112.7D26 C27 H28C24-D26 VanDerWaalsContact C-N 3.32Å; C24-D26 PolarHBondContact O-N 3.02Å; C24-C27 PolarHBondContact O-N 2.85Å; C24-H28 PolarHBondContact O-CD2 2.84Å; C24-H28 PolarHBondContact O-N 3.28Å; C24-H28 VanDerWaalsContact O-N 3.14Å
25A90.7Very high90.2Very high49 Ų4985.7 Ų85.741%0.40548%0.481SS..Hα-helixtrans-68.2-28.9-179.600000113E23 C27 I29E23-A25 PolarHBondContact O-N 2.81Å; E23-A25 VanDerWaalsContact O-N 3.13Å; A25-C27 PolarHBondContact O-N 2.82Å; A25-I29 HydrophobicContact CB-CB 4.43Å; A25-I29 HydrophobicContact CB-CD1 3.94Å; A25-I29 HydrophobicContact CB-CG1 4.35Å; A25-I29 WeakPolarHBondContact O-CA 3.48Å; A25-I29 WeakPolarHBondContact O-CB 3.44Å; A25-I29 PolarHBondContact O-N 2.88Å
26D93Very high89.7Confident55 Ų5585.7 Ų85.729%0.29447%0.469SS..Hα-helixtrans-66.2-28.8-178.7-65.8-45.2000111.9A22 E23 C24 T84A22-D26 HydrophobicContact CB-CB 4.47Å; E23-D26 PolarHBondContact N-OD2 2.99Å; E23-D26 WeakPolarHBondContact O-CB 3.46Å; E23-D26 PolarHBondContact O-N 2.86Å; C24-D26 VanDerWaalsContact C-N 3.32Å; C24-D26 PolarHBondContact O-N 3.02Å; D26-T84 WeakPolarHBondContact O-CB 3.32Å
27C92.4Very high89.2Confident46 Ų4687.2 Ų87.231%0.31148%0.477SS..Hα-helixtrans-93.3-41.4177.5-590000112.8C24 A25 T84C24-C27 PolarHBondContact O-N 2.85Å; A25-C27 PolarHBondContact O-N 2.82Å; C27-T84 VanDerWaalsContact O-CB 3.25Å; C27-T84 WeakPolarHBondContact O-CB 3.32Å; C27-T84 WeakPolarHBondContact O-CG2 3.38Å; C27-T84 PolarHBondContact O-OG1 3.36Å
28H90.9Very high88.6Confident89 Ų8983.9 Ų83.941%0.41246%0.459SS..Hα-helixtrans-94-19.2-170.2-74.7-84.1000114.9C24 H126C24-H28 PolarHBondContact O-CD2 2.84Å; C24-H28 PolarHBondContact O-N 3.28Å; C24-H28 VanDerWaalsContact O-N 3.14Å; H28-H126 AromaticContact NE2-NE2 3.96Å
29I88.3Confident87.9Confident60 Ų6076.9 Ų76.931%0.30843%0.433SS..SBendtrans-118.8115.2-172.2-57.2-179.2000109.6A25 Y36A25-I29 HydrophobicContact CB-CB 4.43Å; A25-I29 HydrophobicContact CB-CD1 3.94Å; A25-I29 HydrophobicContact CB-CG1 4.35Å; A25-I29 WeakPolarHBondContact O-CA 3.48Å; A25-I29 WeakPolarHBondContact O-CB 3.44Å; A25-I29 PolarHBondContact O-N 2.88Å; I29-Y36 HydrophobicContact CG2-CD2 3.49Å; I29-Y36 VanDerWaalsContact CG2-CD2 3.49Å; I29-Y36 HydrophobicContact CG2-CE2 3.63Å
30P86.7Confident87.3Confident25 Ų2578.6 Ų78.616%0.16242%0.419CS..  trans-55.4139.9172.2-24.734.5000111.3S32 D35 Y36P30-S32 VanDerWaalsContact C-N 3.33Å; P30-S32 PolarHBondContact O-N 3.01Å; P30-D35 HydrophobicContact CB-CB 3.85Å; P30-D35 HydrophobicContact CG-CB 3.78Å; P30-Y36 WeakPolarHBondContact O-CB 3.32Å; P30-Y36 WeakPolarHBondContact O-CD2 3.33Å
31K81.8Confident86.7Confident129 Ų12978.2 Ų78.256%0.56142%0.418SS*.SBendtrans-72.4-21.6-170.5-64.7-175.2178.81760114.7S87K31-S87 WeakPolarHBondContact CE-OG 3.24Å; K31-S87 PolarHBondContact NZ-OG 3.15Å
32S81.7Confident85.8Confident92 Ų9275.1 Ų75.164%0.64341%0.407SS*.SBendtrans-162.5174.4-174.758.90000112.7P30P30-S32 VanDerWaalsContact C-N 3.33Å; P30-S32 PolarHBondContact O-N 3.01Å
33G84.2Confident84.9Confident52 Ų5276.1 Ų76.154%0.53642%0.416SS..Hα-helixtrans80.6-165.1172.400000113.9D35 Y36G33-D35 VanDerWaalsContact C-N 3.31Å; G33-D35 PolarHBondContact O-N 2.9Å; G33-Y36 PolarHBondContact O-N 2.97Å
34M84.8Confident84Confident115 Ų11575.1 Ų75.157%0.56742%0.419SS*.Hα-helixtrans-65.3-35-179.3-72.3-56.6-57.900112.2Y36 L37 F38M34-Y36 VanDerWaalsContact C-N 3.3Å; M34-Y36 PolarHBondContact O-N 3.11Å; M34-L37 WeakPolarHBondContact O-CB 3.4Å; M34-L37 PolarHBondContact O-N 3.33Å; M34-L37 HydrophobicContact SD-CD1 4.09Å; M34-F38 HydrophobicContact CB-CD2 4.28Å; M34-F38 HydrophobicContact CB-CE2 4.06Å; M34-F38 HydrophobicContact CE-CE2 3.89Å; M34-F38 HydrophobicContact CE-CZ 4.07Å; M34-F38 WeakPolarHBondContact O-CD2 3.33Å; M34-F38 PolarHBondContact O-N 3.43Å
35D80.6Confident83.1Confident86 Ų8677.2 Ų77.246%0.4642%0.42SS..Hα-helixtrans-64.3-35.4-179.6-57.2-26000112.1P30 G33 L37 F38 A39P30-D35 HydrophobicContact CB-CB 3.85Å; P30-D35 HydrophobicContact CG-CB 3.78Å; G33-D35 VanDerWaalsContact C-N 3.31Å; G33-D35 PolarHBondContact O-N 2.9Å; D35-L37 VanDerWaalsContact C-N 3.35Å; D35-L37 PolarHBondContact O-N 3.03Å; D35-F38 PolarHBondContact O-N 2.96Å; D35-A39 WeakPolarHBondContact O-CB 3.46Å; D35-A39 PolarHBondContact O-N 2.97Å
36Y83.6Confident82.1Confident80 Ų8078.7 Ų78.731%0.31442%0.421SS..Hα-helixtrans-61.5-42.8171.8176.2-114.2000112.2I29 P30 G33 M34 A39 K40I29-Y36 HydrophobicContact CG2-CD2 3.49Å; I29-Y36 VanDerWaalsContact CG2-CD2 3.49Å; I29-Y36 HydrophobicContact CG2-CE2 3.63Å; P30-Y36 WeakPolarHBondContact O-CB 3.32Å; P30-Y36 WeakPolarHBondContact O-CD2 3.33Å; G33-Y36 PolarHBondContact O-N 2.97Å; M34-Y36 VanDerWaalsContact C-N 3.3Å; M34-Y36 PolarHBondContact O-N 3.11Å; Y36-A39 PolarHBondContact O-N 3.5Å; Y36-K40 HydrophobicContact CD1-CD 4.48Å; Y36-K40 HydrophobicContact CE1-CD 3.95Å; Y36-K40 HydrophobicContact CE2-CD 4.5Å; Y36-K40 VanDerWaalsContact CZ-NZ 3.35Å; Y36-K40 PolarHBondContact O-N 2.76Å; Y36-K40 WeakPolarHBondContact OH-CE 3.43Å; Y36-K40 PolarHBondContact OH-NZ 2.86Å
37L84.3Confident81.1Confident89 Ų8980.9 Ų80.947%0.46643%0.432SS..Hα-helixtrans-67.3-41.5178.6-64.6175.3000111.1M34 D35 K40 L41M34-L37 WeakPolarHBondContact O-CB 3.4Å; M34-L37 PolarHBondContact O-N 3.33Å; M34-L37 HydrophobicContact SD-CD1 4.09Å; D35-L37 VanDerWaalsContact C-N 3.35Å; D35-L37 PolarHBondContact O-N 3.03Å; L37-K40 PolarHBondContact O-N 2.86Å; L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 2.85Å
38F82.6Confident80Confident125 Ų12584.6 Ų84.655%0.54844%0.44SS..Hα-helixtrans-64-43.3175.1-74.1-59.6000112.3M34 D35 K40 L41 K42M34-F38 HydrophobicContact CB-CD2 4.28Å; M34-F38 HydrophobicContact CB-CE2 4.06Å; M34-F38 HydrophobicContact CE-CE2 3.89Å; M34-F38 HydrophobicContact CE-CZ 4.07Å; M34-F38 WeakPolarHBondContact O-CD2 3.33Å; M34-F38 PolarHBondContact O-N 3.43Å; D35-F38 PolarHBondContact O-N 2.96Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 3.11Å; F38-L41 PolarHBondContact O-N 2.83Å; F38-K42 WeakPolarHBondContact O-CB 3.4Å; F38-K42 PolarHBondContact O-N 2.8Å
39A79.2Confident79Confident21 Ų2182 Ų8217%0.17443%0.428CS..Hα-helixtrans-59.8-40.6175.700000111.8D35 Y36 K42 A43D35-A39 WeakPolarHBondContact O-CB 3.46Å; D35-A39 PolarHBondContact O-N 2.97Å; Y36-A39 PolarHBondContact O-N 3.5Å; A39-K42 PolarHBondContact O-N 3.38Å; A39-A43 WeakPolarHBondContact O-CB 3.43Å; A39-A43 PolarHBondContact O-N 2.77Å
40K81.1Confident77.9Confident111 Ų11180.4 Ų80.448%0.48342%0.419SS..Hα-helixtrans-63.5-43174.5-80.8-170.8165.4-179.30113.4Y36 L37 F38 K42 A43 S44Y36-K40 HydrophobicContact CD1-CD 4.48Å; Y36-K40 HydrophobicContact CE1-CD 3.95Å; Y36-K40 HydrophobicContact CE2-CD 4.5Å; Y36-K40 VanDerWaalsContact CZ-NZ 3.35Å; Y36-K40 PolarHBondContact O-N 2.76Å; Y36-K40 WeakPolarHBondContact OH-CE 3.43Å; Y36-K40 PolarHBondContact OH-NZ 2.86Å; L37-K40 PolarHBondContact O-N 2.86Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 3.11Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-A43 PolarHBondContact O-N 3.41Å; K40-S44 PolarHBondContact O-N 3.01Å
41L80.8Confident77.1Confident116 Ų11686.8 Ų86.861%0.60745%0.445SS*.Hα-helixtrans-63-41.3175.7-70.9171.8000110.8L37 F38 S44L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 2.85Å; F38-L41 PolarHBondContact O-N 2.83Å; L41-S44 WeakPolarHBondContact O-CB 3.43Å; L41-S44 PolarHBondContact O-N 2.9Å; L41-S44 PolarHBondContact O-OG 3.48Å
42K76.3Confident75.9Confident54 Ų5485.4 Ų85.424%0.23545%0.447CS..Hα-helixtrans-67.8-41.5177.8-173.2179169.5-170.90113F38 A39 K40 S44 K45 D46 E76F38-K42 WeakPolarHBondContact O-CB 3.4Å; F38-K42 PolarHBondContact O-N 2.8Å; A39-K42 PolarHBondContact O-N 3.38Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K42-S44 PolarHBondContact O-N 3.1Å; K42-S44 VanDerWaalsContact O-N 3.1Å; K42-K45 WeakPolarHBondContact O-CA 3.49Å; K42-K45 WeakPolarHBondContact O-CB 3.27Å; K42-K45 PolarHBondContact O-N 2.81Å; K42-D46 PolarHBondContact O-N 3.01Å; K42-E76 WeakPolarHBondContact CD-OE1 3.45Å; K42-E76 IonicContact NZ-OE1 2.59Å; K42-E76 PolarHBondContact NZ-OE1 2.68Å; K42-E76 IonicContact NZ-OE2 2.73Å; K42-E76 PolarHBondContact NZ-OE2 3.03Å
43A74.4Confident75.5Confident40 Ų4083.2 Ų83.233%0.33143%0.431SS..Hα-helixtrans-57.1-28.1174.800000112.4A39 K40 K45 D46 I47A39-A43 WeakPolarHBondContact O-CB 3.43Å; A39-A43 PolarHBondContact O-N 2.77Å; K40-A43 PolarHBondContact O-N 3.41Å; A43-K45 VanDerWaalsContact C-N 3.28Å; A43-K45 PolarHBondContact O-N 3Å; A43-D46 PolarHBondContact O-N 2.71Å; A43-I47 WeakPolarHBondContact O-CG1 3.24Å; A43-I47 PolarHBondContact O-N 3.15Å
44S74.6Confident74.8Confident71 Ų7181.3 Ų81.350%0.49741%0.412SS..Hα-helixtrans-65.7-29.9172.5810000113.3K40 L41 K42 Y48K40-S44 PolarHBondContact O-N 3.01Å; L41-S44 WeakPolarHBondContact O-CB 3.43Å; L41-S44 PolarHBondContact O-N 2.9Å; L41-S44 PolarHBondContact O-OG 3.48Å; K42-S44 PolarHBondContact O-N 3.1Å; K42-S44 VanDerWaalsContact O-N 3.1Å; S44-Y48 WeakPolarHBondContact O-CB 3.11Å; S44-Y48 PolarHBondContact O-N 2.91Å
45K72.7Confident74.2Confident116 Ų11681 Ų8150%0.50441%0.408SS..Hα-helixtrans-68.2-39.5172.1-171.5-172.7172.7-171.90111K42 A43 Y48 H49K42-K45 WeakPolarHBondContact O-CA 3.49Å; K42-K45 WeakPolarHBondContact O-CB 3.27Å; K42-K45 PolarHBondContact O-N 2.81Å; A43-K45 VanDerWaalsContact C-N 3.28Å; A43-K45 PolarHBondContact O-N 3Å; K45-Y48 CarbonylContact O-C 3.59Å; K45-Y48 WeakPolarHBondContact O-CB 3.34Å; K45-Y48 PolarHBondContact O-N 3.5Å; K45-H49 WeakPolarHBondContact CE-NE2 3.12Å; K45-H49 PolarHBondContact O-CD2 2.64Å; K45-H49 PolarHBondContact O-N 3.47Å
46D70.2Confident73.8Confident80 Ų8077.8 Ų77.843%0.42839%0.39SS..Hα-helixtrans-67.2-42.3178-58.5-21.9000110.8K42 A43 Y48 H49 E50K42-D46 PolarHBondContact O-N 3.01Å; A43-D46 PolarHBondContact O-N 2.71Å; D46-Y48 VanDerWaalsContact C-N 3.29Å; D46-Y48 PolarHBondContact O-N 2.89Å; D46-H49 PolarHBondContact O-N 3.17Å; D46-H49 VanDerWaalsContact O-N 3.11Å; D46-E50 WeakPolarHBondContact O-CB 3.32Å; D46-E50 PolarHBondContact O-N 3.21Å
47I72.1Confident73.5Confident101 Ų10177.9 Ų77.952%0.51840%0.396SS..Hα-helixtrans-58.7-43171.6-65.3168.1000110.5A43 H49 F51A43-I47 WeakPolarHBondContact O-CG1 3.24Å; A43-I47 PolarHBondContact O-N 3.15Å; I47-H49 VanDerWaalsContact C-N 3.35Å; I47-H49 PolarHBondContact O-N 3.48Å; I47-F51 HydrophobicContact CB-CD2 4.44Å; I47-F51 HydrophobicContact CG2-CD2 3.82Å; I47-F51 HydrophobicContact CG2-CE2 4.43Å; I47-F51 WeakPolarHBondContact O-CB 3.25Å; I47-F51 WeakPolarHBondContact O-CD2 3.46Å; I47-F51 PolarHBondContact O-N 2.87Å
48Y68.7Low73.4Confident125 Ų12575.7 Ų75.749%0.4939%0.388SS..Hα-helixtrans-62.3-41.3174.8177.1-90.9000111.8S44 K45 D46 V52 S53S44-Y48 WeakPolarHBondContact O-CB 3.11Å; S44-Y48 PolarHBondContact O-N 2.91Å; K45-Y48 CarbonylContact O-C 3.59Å; K45-Y48 WeakPolarHBondContact O-CB 3.34Å; K45-Y48 PolarHBondContact O-N 3.5Å; D46-Y48 VanDerWaalsContact C-N 3.29Å; D46-Y48 PolarHBondContact O-N 2.89Å; Y48-V52 HydrophobicContact CD2-CB 3.59Å; Y48-V52 HydrophobicContact CD2-CG1 3.72Å; Y48-V52 HydrophobicContact CD2-CG2 3.95Å; Y48-V52 HydrophobicContact CE2-CB 3.81Å; Y48-V52 HydrophobicContact CE2-CG1 3.43Å; Y48-V52 VanDerWaalsContact CE2-CG1 3.43Å; Y48-V52 HydrophobicContact CG-CB 4.12Å; Y48-V52 CarbonylContact O-C 3.49Å; Y48-V52 VanDerWaalsContact O-CA 3.28Å; Y48-V52 WeakPolarHBondContact O-CA 3.31Å; Y48-V52 VanDerWaalsContact O-CB 3.22Å; Y48-V52 WeakPolarHBondContact O-CB 3.5Å; Y48-V52 PolarHBondContact O-N 2.83Å; Y48-S53 PolarHBondContact O-N 2.82Å
49H71.4Confident73.4Confident33 Ų3373.7 Ų73.715%0.15338%0.384CS..Hα-helixtrans-72.2-37-178.6-74.2-36.4000114.5K45 D46 I47 S53 G54 K55 I56K45-H49 WeakPolarHBondContact CE-NE2 3.12Å; K45-H49 PolarHBondContact O-CD2 2.64Å; K45-H49 PolarHBondContact O-N 3.47Å; D46-H49 PolarHBondContact O-N 3.17Å; D46-H49 VanDerWaalsContact O-N 3.11Å; I47-H49 VanDerWaalsContact C-N 3.35Å; I47-H49 PolarHBondContact O-N 3.48Å; H49-S53 WeakPolarHBondContact CA-OG 3.35Å; H49-S53 PolarHBondContact ND1-OG 3.25Å; H49-S53 PolarHBondContact O-OG 2.86Å; H49-G54 CarbonylContact O-C 3.42Å; H49-G54 WeakPolarHBondContact O-CA 3.48Å; H49-G54 PolarHBondContact O-N 3.18Å; H49-G54 VanDerWaalsContact O-N 3.12Å; H49-K55 HydrophobicContact CB-CB 4.26Å; H49-K55 PolarHBondContact O-N 2.96Å; H49-I56 HydrophobicContact CB-CD1 4.4Å; H49-I56 HydrophobicContact CB-CG1 4.22Å
50E64.8Low73.6Confident28 Ų2878.9 Ų78.913%0.13141%0.408CS..Hα-helixtrans-71.8-50.8174.5-179.474.9170.500111.4M1 D46 I56M1-E50 WeakPolarHBondContact CB-OE1 3.2Å; M1-E50 PolarHBondContact N-OE1 3.28Å; D46-E50 WeakPolarHBondContact O-CB 3.32Å; D46-E50 PolarHBondContact O-N 3.21Å; E50-I56 HydrophobicContact CB-CD1 4.17Å; E50-I56 HydrophobicContact CB-CG1 4.19Å; E50-I56 WeakPolarHBondContact OE2-CG1 3.38Å
51F68.9Low73.7Confident159 Ų15977.4 Ų77.470%0.69740%0.402SS*.Hα-helixtrans-101.5-19.7-166.7-61.6-73.8000115I47I47-F51 HydrophobicContact CB-CD2 4.44Å; I47-F51 HydrophobicContact CG2-CD2 3.82Å; I47-F51 HydrophobicContact CG2-CE2 4.43Å; I47-F51 WeakPolarHBondContact O-CB 3.25Å; I47-F51 WeakPolarHBondContact O-CD2 3.46Å; I47-F51 PolarHBondContact O-N 2.87Å
52V57.3Low73.9Confident99 Ų9972.9 Ų72.960%0.638%0.377SS*.THydrogen-bonded Turntrans-113.7-50.8-173.5-172.80000112.2Y48Y48-V52 HydrophobicContact CD2-CB 3.59Å; Y48-V52 HydrophobicContact CD2-CG1 3.72Å; Y48-V52 HydrophobicContact CD2-CG2 3.95Å; Y48-V52 HydrophobicContact CE2-CB 3.81Å; Y48-V52 HydrophobicContact CE2-CG1 3.43Å; Y48-V52 VanDerWaalsContact CE2-CG1 3.43Å; Y48-V52 HydrophobicContact CG-CB 4.12Å; Y48-V52 CarbonylContact O-C 3.49Å; Y48-V52 VanDerWaalsContact O-CA 3.28Å; Y48-V52 WeakPolarHBondContact O-CA 3.31Å; Y48-V52 VanDerWaalsContact O-CB 3.22Å; Y48-V52 WeakPolarHBondContact O-CB 3.5Å; Y48-V52 PolarHBondContact O-N 2.83Å
53S72.8Confident74.3Confident46 Ų4673.6 Ų73.632%0.32238%0.382SS..SBendtrans-89-12.3178.175.60000113.8Y48 H49 K55Y48-S53 PolarHBondContact O-N 2.82Å; H49-S53 WeakPolarHBondContact CA-OG 3.35Å; H49-S53 PolarHBondContact ND1-OG 3.25Å; H49-S53 PolarHBondContact O-OG 2.86Å; S53-K55 PolarHBondContact O-N 2.77Å; S53-K55 VanDerWaalsContact OG-CG 3.32Å; S53-K55 WeakPolarHBondContact OG-CG 3.45Å
54G70.9Confident74.8Confident13 Ų1377 Ų7713%0.13440%0.398CS..  trans56.431.5-177.200000113.3H49 I56 D57 K61H49-G54 CarbonylContact O-C 3.42Å; H49-G54 WeakPolarHBondContact O-CA 3.48Å; H49-G54 PolarHBondContact O-N 3.18Å; H49-G54 VanDerWaalsContact O-N 3.12Å; G54-I56 VanDerWaalsContact C-N 3.31Å; G54-D57 WeakPolarHBondContact CA-OD2 3.33Å; G54-K61 VanDerWaalsContact O-CD 3.27Å; G54-K61 WeakPolarHBondContact O-CD 3.44Å; G54-K61 WeakPolarHBondContact O-CE 3.28Å; G54-K61 PolarHBondContact O-NZ 3.06Å
55K71.2Confident75.3Confident108 Ų10876.1 Ų76.147%0.4739%0.386SS..SBendtrans-75.7-22.6-176.3-87.1-169.5-173.3-167.20112.7H49 S53 K61 H65H49-K55 HydrophobicContact CB-CB 4.26Å; H49-K55 PolarHBondContact O-N 2.96Å; S53-K55 PolarHBondContact O-N 2.77Å; S53-K55 VanDerWaalsContact OG-CG 3.32Å; S53-K55 WeakPolarHBondContact OG-CG 3.45Å; K55-K61 WeakPolarHBondContact O-CB 3.43Å; K55-H65 PolarHBondContact O-CE1 3.13Å; K55-H65 PolarHBondContact O-ND1 3.28Å
56I73Confident76Confident19 Ų1971.3 Ų71.310%0.09737%0.365CS..SBendtrans-13412-176.353.2164.2000112.5M1 H49 E50 G54 S58 H65 M69M1-I56 HydrophobicContact CE-CB 3.96Å; M1-I56 HydrophobicContact CE-CD1 4.26Å; M1-I56 HydrophobicContact CE-CG1 4.38Å; M1-I56 WeakPolarHBondContact CE-O 3.21Å; H49-I56 HydrophobicContact CB-CD1 4.4Å; H49-I56 HydrophobicContact CB-CG1 4.22Å; E50-I56 HydrophobicContact CB-CD1 4.17Å; E50-I56 HydrophobicContact CB-CG1 4.19Å; E50-I56 WeakPolarHBondContact OE2-CG1 3.38Å; G54-I56 VanDerWaalsContact C-N 3.31Å; I56-S58 PolarHBondContact O-N 3.36Å; I56-H65 HydrophobicContact CG2-CB 4.19Å; I56-M69 HydrophobicContact CG2-CE 4.18Å; I56-M69 HydrophobicContact CG2-SD 4.18Å
57D76.7Confident76.7Confident81 Ų8169 Ų6943%0.43335%0.352SS..SBendtrans-71.83.4-171.166.93.5000116.1G54 K61G54-D57 WeakPolarHBondContact CA-OD2 3.33Å; D57-K61 VanDerWaalsContact OD1-CD 3.24Å; D57-K61 WeakPolarHBondContact OD1-CD 3.26Å; D57-K61 WeakPolarHBondContact OD1-CE 3.14Å; D57-K61 IonicContact OD1-NZ 2.74Å; D57-K61 PolarHBondContact OD1-NZ 3.07Å; D57-K61 IonicContact OD2-NZ 3.04Å; D57-K61 PolarHBondContact OD2-NZ 3.35Å
58S81.2Confident77.3Confident44 Ų4469.8 Ų69.831%0.30835%0.353SS..SBendtrans-138.6158.1175.176.60000110.8I56 D60 K61 F62I56-S58 PolarHBondContact O-N 3.36Å; S58-D60 VanDerWaalsContact C-N 3.3Å; S58-D60 PolarHBondContact O-N 2.8Å; S58-K61 PolarHBondContact O-N 2.73Å; S58-K61 VanDerWaalsContact O-N 3.14Å; S58-K61 WeakPolarHBondContact OG-CG 3.32Å; S58-K61 PolarHBondContact OG-N 2.76Å; S58-F62 WeakPolarHBondContact O-CB 3.4Å; S58-F62 PolarHBondContact O-N 2.88Å
59D82.8Confident78.2Confident83 Ų8366.3 Ų66.344%0.44434%0.342SS..Hα-helixtrans-56.8-43178.7-74.2-0.7000112.1K61 F62 E63D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.34Å; D59-F62 WeakPolarHBondContact O-CB 3.4Å; D59-F62 PolarHBondContact O-N 3.45Å; D59-E63 WeakPolarHBondContact O-CG 3.34Å; D59-E63 PolarHBondContact O-N 3.38Å
60D83.7Confident79Confident130 Ų13065.6 Ų65.670%0.69534%0.341SS*.Hα-helixtrans-62.9-41178.5-65.8-21.8000112S58 E63 T64S58-D60 VanDerWaalsContact C-N 3.3Å; S58-D60 PolarHBondContact O-N 2.8Å; D60-E63 PolarHBondContact O-N 3.38Å; D60-T64 WeakPolarHBondContact O-CB 3.16Å; D60-T64 PolarHBondContact O-N 3.09Å; D60-T64 PolarHBondContact O-OG1 2.81Å
61K82.9Confident80.1Confident80 Ų8066.7 Ų66.735%0.34835%0.346SS..Hα-helixtrans-70.1-38177.4-74.3-178.6-171.5171.40111.7G54 K55 D57 S58 D59 T64 H65G54-K61 VanDerWaalsContact O-CD 3.27Å; G54-K61 WeakPolarHBondContact O-CD 3.44Å; G54-K61 WeakPolarHBondContact O-CE 3.28Å; G54-K61 PolarHBondContact O-NZ 3.06Å; K55-K61 WeakPolarHBondContact O-CB 3.43Å; D57-K61 VanDerWaalsContact OD1-CD 3.24Å; D57-K61 WeakPolarHBondContact OD1-CD 3.26Å; D57-K61 WeakPolarHBondContact OD1-CE 3.14Å; D57-K61 IonicContact OD1-NZ 2.74Å; D57-K61 PolarHBondContact OD1-NZ 3.07Å; D57-K61 IonicContact OD2-NZ 3.04Å; D57-K61 PolarHBondContact OD2-NZ 3.35Å; S58-K61 PolarHBondContact O-N 2.73Å; S58-K61 VanDerWaalsContact O-N 3.14Å; S58-K61 WeakPolarHBondContact OG-CG 3.32Å; S58-K61 PolarHBondContact OG-N 2.76Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.34Å; K61-T64 PolarHBondContact O-N 3.43Å; K61-H65 PolarHBondContact O-N 3.36Å; K61-H65 PolarHBondContact O-ND1 2.88Å
62F85Confident80.9Confident20 Ų2061.6 Ų61.69%0.08833%0.328CS..Hα-helixtrans-61.2-48.7172.8175.3-108.6000111.1M1 K3 P4 S58 D59 T64 H65 R66 M69M1-F62 HydrophobicContact CE-CB 3.61Å; M1-F62 HydrophobicContact CE-CD2 3.35Å; M1-F62 HydrophobicContact CE-CE2 4.22Å; M1-F62 HydrophobicContact CE-CG 3.69Å; M1-F62 HydrophobicContact SD-CB 3.93Å; M1-F62 HydrophobicContact SD-CD1 4.06Å; M1-F62 HydrophobicContact SD-CD2 3.17Å; M1-F62 WeakPolarHBondContact SD-CD2 3.3Å; M1-F62 HydrophobicContact SD-CE1 4.36Å; M1-F62 HydrophobicContact SD-CE2 3.57Å; M1-F62 VanDerWaalsContact SD-CE2 3.57Å; M1-F62 HydrophobicContact SD-CG 3.44Å; M1-F62 WeakPolarHBondContact SD-CG 3.41Å; M1-F62 HydrophobicContact SD-CZ 4.16Å; K3-F62 HydrophobicContact CD-CD1 4.06Å; K3-F62 HydrophobicContact CD-CE1 4.29Å; P4-F62 HydrophobicContact CG-CE1 4.31Å; P4-F62 HydrophobicContact CG-CE2 4.05Å; P4-F62 HydrophobicContact CG-CZ 3.72Å; S58-F62 WeakPolarHBondContact O-CB 3.4Å; S58-F62 PolarHBondContact O-N 2.88Å; D59-F62 WeakPolarHBondContact O-CB 3.4Å; D59-F62 PolarHBondContact O-N 3.45Å; F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.05Å; F62-H65 CarbonylContact O-C 3.55Å; F62-H65 PolarHBondContact O-N 3.09Å; F62-H65 VanDerWaalsContact O-N 3.11Å; F62-R66 WeakPolarHBondContact O-CA 3.46Å; F62-R66 PolarHBondContact O-N 3.29Å; F62-M69 HydrophobicContact CD2-CE 3.35Å; F62-M69 HydrophobicContact CD2-SD 4.5Å; F62-M69 HydrophobicContact CE2-CE 3.46Å; F62-M69 VanDerWaalsContact CE2-CE 3.46Å; F62-M69 HydrophobicContact CE2-SD 4.44Å; F62-M69 HydrophobicContact CG-CE 4.35Å
63E85.8Confident82.5Confident70 Ų7058.6 Ų58.633%0.32731%0.31SS..Hα-helixtrans-60.1-40.3176.8-70.7-44.6135.700112.1K3 D59 D60 H65 R66K3-E63 WeakPolarHBondContact CD-OE1 3.24Å; K3-E63 WeakPolarHBondContact CE-OE1 3.43Å; K3-E63 IonicContact NZ-OE1 3.44Å; K3-E63 PolarHBondContact NZ-OE1 3.39Å; D59-E63 WeakPolarHBondContact O-CG 3.34Å; D59-E63 PolarHBondContact O-N 3.38Å; D60-E63 PolarHBondContact O-N 3.38Å; E63-H65 PolarHBondContact O-N 3.27Å; E63-R66 PolarHBondContact O-N 3.41Å; E63-R66 IonicContact OE1-CZ 3.34Å; E63-R66 IonicContact OE1-NE 3.75Å; E63-R66 PolarHBondContact OE1-NE 3.11Å; E63-R66 IonicContact OE1-NH2 3.81Å; E63-R66 PolarHBondContact OE1-NH2 3.25Å; E63-R66 IonicContact OE2-CZ 2.94Å; E63-R66 IonicContact OE2-NE 2.63Å; E63-R66 PolarHBondContact OE2-NE 3.13Å; E63-R66 IonicContact OE2-NH2 3.88Å
64T83.7Confident83.4Confident110 Ų11058.8 Ų58.868%0.67530%0.304SS*.Hα-helixtrans-58.9-34.7176.8-580000112.2D60 K61 F62D60-T64 WeakPolarHBondContact O-CB 3.16Å; D60-T64 PolarHBondContact O-N 3.09Å; D60-T64 PolarHBondContact O-OG1 2.81Å; K61-T64 PolarHBondContact O-N 3.43Å; F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.05Å
65H84.7Confident84.2Confident53 Ų5365.8 Ų65.825%0.24533%0.331CS..Hα-helixtrans-103.40.2-178.9-6282000113.4K55 I56 K61 F62 E63 Q67 E68 M69K55-H65 PolarHBondContact O-CE1 3.13Å; K55-H65 PolarHBondContact O-ND1 3.28Å; I56-H65 HydrophobicContact CG2-CB 4.19Å; K61-H65 PolarHBondContact O-N 3.36Å; K61-H65 PolarHBondContact O-ND1 2.88Å; F62-H65 CarbonylContact O-C 3.55Å; F62-H65 PolarHBondContact O-N 3.09Å; F62-H65 VanDerWaalsContact O-N 3.11Å; E63-H65 PolarHBondContact O-N 3.27Å; H65-Q67 PolarHBondContact O-N 2.98Å; H65-E68 IonicContact CD2-OE2 2.68Å; H65-E68 PolarHBondContact O-N 2.83Å; H65-M69 HydrophobicContact CB-CE 3.88Å; H65-M69 WeakPolarHBondContact O-CE 3.2Å; H65-M69 WeakPolarHBondContact O-CG 3.24Å; H65-M69 PolarHBondContact O-N 3.32Å
66R88.1Confident85.1Confident16 Ų1665 Ų656%0.0633%0.329CS..Hα-helixtrans-56.5-41.8-172.2-178.2-170-79.1-103.92.3111E7 F62 E63 A70 F127 P129E7-R66 IonicContact OE1-CZ 3.28Å; E7-R66 IonicContact OE1-NH1 2.68Å; E7-R66 PolarHBondContact OE1-NH1 3.17Å; E7-R66 IonicContact OE1-NH2 3.44Å; E7-R66 PolarHBondContact OE1-NH2 2.92Å; E7-R66 IonicContact OE2-CZ 2.91Å; E7-R66 IonicContact OE2-NH1 2.67Å; E7-R66 PolarHBondContact OE2-NH1 3.41Å; E7-R66 IonicContact OE2-NH2 3.44Å; F62-R66 WeakPolarHBondContact O-CA 3.46Å; F62-R66 PolarHBondContact O-N 3.29Å; E63-R66 PolarHBondContact O-N 3.41Å; E63-R66 IonicContact OE1-CZ 3.34Å; E63-R66 IonicContact OE1-NE 3.75Å; E63-R66 PolarHBondContact OE1-NE 3.11Å; E63-R66 IonicContact OE1-NH2 3.81Å; E63-R66 PolarHBondContact OE1-NH2 3.25Å; E63-R66 IonicContact OE2-CZ 2.94Å; E63-R66 IonicContact OE2-NE 2.63Å; E63-R66 PolarHBondContact OE2-NE 3.13Å; E63-R66 IonicContact OE2-NH2 3.88Å; R66-A70 WeakPolarHBondContact O-CB 3.34Å; R66-A70 PolarHBondContact O-N 3.5Å; R66-F127 PolarHBondContact NH1-O 2.65Å; R66-P129 HydrophobicContact CB-CB 4.48Å; R66-P129 HydrophobicContact CG-CB 4.09Å
67Q86Confident86Confident32 Ų3265.2 Ų65.215%0.1533%0.33CS..Hα-helixtrans-63.4-52.9179.5-176.6172.9-15.100112.3H65 M69 A70 E71 P129 E130 K132H65-Q67 PolarHBondContact O-N 2.98Å; Q67-M69 VanDerWaalsContact C-N 3.27Å; Q67-M69 PolarHBondContact O-N 2.75Å; Q67-A70 PolarHBondContact O-N 3.08Å; Q67-A70 VanDerWaalsContact O-N 3.13Å; Q67-E71 HydrophobicContact CG-CG 4.32Å; Q67-E71 VanDerWaalsContact CG-OE1 3.23Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.25Å; Q67-E71 PolarHBondContact NE2-OE1 3.01Å; Q67-E71 WeakPolarHBondContact O-CB 3.39Å; Q67-E71 WeakPolarHBondContact O-CG 3.31Å; Q67-E71 PolarHBondContact O-N 2.78Å; Q67-P129 HydrophobicContact CB-CB 3.8Å; Q67-P129 HydrophobicContact CB-CG 4.19Å; Q67-P129 HydrophobicContact CG-CB 4.37Å; Q67-P129 HydrophobicContact CG-CG 4.29Å; Q67-E130 PolarHBondContact OE1-O 3.44Å; Q67-K132 PolarHBondContact NE2-O 2.84Å; Q67-K132 VanDerWaalsContact OE1-N 3.15Å; Q67-K132 PolarHBondContact OE1-O 3.4Å
68E83.9Confident86.7Confident117 Ų11765.9 Ų65.955%0.54733%0.329SS..Hα-helixtrans-56.9-42.8178.7-174.4-168.3166.600111.4H65 T72H65-E68 IonicContact CD2-OE2 2.68Å; H65-E68 PolarHBondContact O-N 2.83Å; E68-T72 WeakPolarHBondContact O-CB 3.32Å; E68-T72 PolarHBondContact O-N 3.39Å; E68-T72 PolarHBondContact O-OG1 2.86Å
69M86.9Confident87.2Confident52 Ų5268 Ų6826%0.25635%0.349SS..Hα-helixtrans-66.3-43.6177.1-70.2-173.3-69.100112I56 F62 H65 Q67 T72 V73I56-M69 HydrophobicContact CG2-CE 4.18Å; I56-M69 HydrophobicContact CG2-SD 4.18Å; F62-M69 HydrophobicContact CD2-CE 3.35Å; F62-M69 HydrophobicContact CD2-SD 4.5Å; F62-M69 HydrophobicContact CE2-CE 3.46Å; F62-M69 VanDerWaalsContact CE2-CE 3.46Å; F62-M69 HydrophobicContact CE2-SD 4.44Å; F62-M69 HydrophobicContact CG-CE 4.35Å; H65-M69 HydrophobicContact CB-CE 3.88Å; H65-M69 WeakPolarHBondContact O-CE 3.2Å; H65-M69 WeakPolarHBondContact O-CG 3.24Å; H65-M69 PolarHBondContact O-N 3.32Å; Q67-M69 VanDerWaalsContact C-N 3.27Å; Q67-M69 PolarHBondContact O-N 2.75Å; M69-T72 WeakPolarHBondContact O-CB 3.44Å; M69-T72 PolarHBondContact O-N 2.92Å; M69-V73 WeakPolarHBondContact O-CG2 3.4Å; M69-V73 PolarHBondContact O-N 2.78Å
70A89.4Confident87.6Confident17 Ų1766.1 Ų66.114%0.1434%0.341CS..Hα-helixtrans-63.8-48.7178.300000111.5R66 Q67 T72 V73 W74 P129R66-A70 WeakPolarHBondContact O-CB 3.34Å; R66-A70 PolarHBondContact O-N 3.5Å; Q67-A70 PolarHBondContact O-N 3.08Å; Q67-A70 VanDerWaalsContact O-N 3.13Å; A70-T72 VanDerWaalsContact C-N 3.27Å; A70-T72 PolarHBondContact O-N 3.37Å; A70-V73 PolarHBondContact O-N 3.44Å; A70-V73 VanDerWaalsContact O-N 3.16Å; A70-W74 HydrophobicContact CB-CD2 4.39Å; A70-W74 HydrophobicContact CB-CH2 4.06Å; A70-W74 HydrophobicContact CB-CZ2 3.78Å; A70-W74 HydrophobicContact CB-CZ3 4.45Å; A70-W74 WeakPolarHBondContact O-CB 3.45Å; A70-W74 PolarHBondContact O-N 2.9Å; A70-P129 HydrophobicContact CB-CG 4.17Å
71E86.6Confident88Confident51 Ų5163.5 Ų63.524%0.23833%0.327CS..Hα-helixtrans-57.4-42.7176.7-73.7172.8-174.300111.5Q67 W74 K75Q67-E71 HydrophobicContact CG-CG 4.32Å; Q67-E71 VanDerWaalsContact CG-OE1 3.23Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.25Å; Q67-E71 PolarHBondContact NE2-OE1 3.01Å; Q67-E71 WeakPolarHBondContact O-CB 3.39Å; Q67-E71 WeakPolarHBondContact O-CG 3.31Å; Q67-E71 PolarHBondContact O-N 2.78Å; E71-W74 HydrophobicContact CG-CE3 4.38Å; E71-W74 HydrophobicContact CG-CZ3 4.43Å; E71-W74 PolarHBondContact O-N 3.26Å; E71-K75 VanDerWaalsContact O-CB 3.28Å; E71-K75 WeakPolarHBondContact O-CB 3.48Å; E71-K75 PolarHBondContact O-N 3.31Å
72T87.2Confident88.6Confident52 Ų5259.7 Ų59.732%0.31931%0.31SS..Hα-helixtrans-60.2-46.1176.6-73.50000111.9E68 M69 A70 E76E68-T72 WeakPolarHBondContact O-CB 3.32Å; E68-T72 PolarHBondContact O-N 3.39Å; E68-T72 PolarHBondContact O-OG1 2.86Å; M69-T72 WeakPolarHBondContact O-CB 3.44Å; M69-T72 PolarHBondContact O-N 2.92Å; A70-T72 VanDerWaalsContact C-N 3.27Å; A70-T72 PolarHBondContact O-N 3.37Å; T72-E76 WeakPolarHBondContact O-CG 3.13Å; T72-E76 PolarHBondContact O-N 2.76Å
73V90Very high89Confident36 Ų3661.1 Ų61.122%0.21833%0.326CS..Hα-helixtrans-67.9-42.5176.5171.50000111.1M69 A70 K75 E76 L77M69-V73 WeakPolarHBondContact O-CG2 3.4Å; M69-V73 PolarHBondContact O-N 2.78Å; A70-V73 PolarHBondContact O-N 3.44Å; A70-V73 VanDerWaalsContact O-N 3.16Å; V73-K75 VanDerWaalsContact C-N 3.34Å; V73-K75 PolarHBondContact O-N 3.4Å; V73-E76 PolarHBondContact O-N 3.04Å; V73-L77 HydrophobicContact CG1-CD1 3.87Å; V73-L77 HydrophobicContact CG1-CG 4.29Å; V73-L77 WeakPolarHBondContact O-CG 3.29Å; V73-L77 PolarHBondContact O-N 3.33Å
74W91Very high89.5Confident50 Ų5058.3 Ų58.319%0.18931%0.313CS..Hα-helixtrans-63-40.9179.5-62.2-17.9000112.1A70 E71 E76 L77 K78 I118 K122 P129A70-W74 HydrophobicContact CB-CD2 4.39Å; A70-W74 HydrophobicContact CB-CH2 4.06Å; A70-W74 HydrophobicContact CB-CZ2 3.78Å; A70-W74 HydrophobicContact CB-CZ3 4.45Å; A70-W74 WeakPolarHBondContact O-CB 3.45Å; A70-W74 PolarHBondContact O-N 2.9Å; E71-W74 HydrophobicContact CG-CE3 4.38Å; E71-W74 HydrophobicContact CG-CZ3 4.43Å; E71-W74 PolarHBondContact O-N 3.26Å; W74-E76 VanDerWaalsContact C-N 3.32Å; W74-E76 PolarHBondContact O-N 3.02Å; W74-L77 PolarHBondContact O-N 2.93Å; W74-K78 VanDerWaalsContact O-CB 3.29Å; W74-K78 WeakPolarHBondContact O-CB 3.48Å; W74-K78 PolarHBondContact O-N 3.39Å; W74-I118 HydrophobicContact CB-CG1 4.12Å; W74-I118 HydrophobicContact CG-CD1 4.34Å; W74-I118 HydrophobicContact CG-CG1 4.2Å; W74-K122 HydrophobicContact CD2-CD 3.77Å; W74-K122 HydrophobicContact CD2-CG 3.98Å; W74-K122 HydrophobicContact CE3-CD 3.8Å; W74-K122 HydrophobicContact CG-CD 4.39Å; W74-K122 HydrophobicContact CG-CG 4.28Å; W74-K122 HydrophobicContact CH2-CD 4.08Å; W74-K122 HydrophobicContact CZ2-CB 3.89Å; W74-K122 HydrophobicContact CZ2-CD 4.07Å; W74-K122 HydrophobicContact CZ2-CG 4.14Å; W74-K122 HydrophobicContact CZ3-CD 3.96Å; W74-P129 HydrophobicContact CH2-CG 3.92Å
75K88.9Confident90Very high161 Ų16154.9 Ų54.970%0.729%0.293SS*.Hα-helixtrans-60.3-42175.6-177.6174.5-178.8171.20111.9E71 V73 K78 A79E71-K75 VanDerWaalsContact O-CB 3.28Å; E71-K75 WeakPolarHBondContact O-CB 3.48Å; E71-K75 PolarHBondContact O-N 3.31Å; V73-K75 VanDerWaalsContact C-N 3.34Å; V73-K75 PolarHBondContact O-N 3.4Å; K75-K78 PolarHBondContact O-N 3.47Å; K75-A79 VanDerWaalsContact O-CB 3.31Å; K75-A79 WeakPolarHBondContact O-CB 3.49Å; K75-A79 PolarHBondContact O-N 2.88Å
76E89.5Confident90.5Very high90 Ų9055.6 Ų55.642%0.42129%0.294SS..Hα-helixtrans-69.1-45.7178.2-74.6176.8170.600112.5K42 T72 V73 W74 K78 A79 T80K42-E76 WeakPolarHBondContact CD-OE1 3.45Å; K42-E76 IonicContact NZ-OE1 2.59Å; K42-E76 PolarHBondContact NZ-OE1 2.68Å; K42-E76 IonicContact NZ-OE2 2.73Å; K42-E76 PolarHBondContact NZ-OE2 3.03Å; T72-E76 WeakPolarHBondContact O-CG 3.13Å; T72-E76 PolarHBondContact O-N 2.76Å; V73-E76 PolarHBondContact O-N 3.04Å; W74-E76 VanDerWaalsContact C-N 3.32Å; W74-E76 PolarHBondContact O-N 3.02Å; E76-K78 PolarHBondContact O-N 3.22Å; E76-A79 PolarHBondContact O-N 3.21Å; E76-T80 WeakPolarHBondContact O-CB 3.23Å; E76-T80 WeakPolarHBondContact O-CG2 3.48Å; E76-T80 PolarHBondContact O-N 2.89Å; E76-T80 PolarHBondContact O-OG1 2.86Å
77L92.4Very high90.8Very high25 Ų2557.3 Ų57.313%0.13131%0.309CS..Hα-helixtrans-59.1-39.7173.6-70.3174.1000110.3V73 W74 T80 D81 S82 T84 I118V73-L77 HydrophobicContact CG1-CD1 3.87Å; V73-L77 HydrophobicContact CG1-CG 4.29Å; V73-L77 WeakPolarHBondContact O-CG 3.29Å; V73-L77 PolarHBondContact O-N 3.33Å; W74-L77 PolarHBondContact O-N 2.93Å; L77-T80 PolarHBondContact O-N 2.78Å; L77-T80 PolarHBondContact O-OG1 3.33Å; L77-D81 PolarHBondContact O-N 3.19Å; L77-S82 WeakPolarHBondContact O-CA 3.18Å; L77-S82 PolarHBondContact O-N 3Å; L77-T84 WeakPolarHBondContact CD2-OG1 3.32Å; L77-I118 HydrophobicContact CB-CB 3.85Å; L77-I118 HydrophobicContact CB-CG1 3.87Å; L77-I118 HydrophobicContact CB-CG2 3.73Å; L77-I118 HydrophobicContact CD1-CB 4.4Å; L77-I118 HydrophobicContact CD1-CD1 3.79Å; L77-I118 HydrophobicContact CD1-CG1 3.87Å
78K91.6Very high91.2Very high94 Ų9460.1 Ų60.141%0.40933%0.331SS..Hα-helixtrans-66.2-47.9177.7-174.2169.8-177.8159.70112.1W74 K75 E76 T80 D81 T116 I118 D119W74-K78 VanDerWaalsContact O-CB 3.29Å; W74-K78 WeakPolarHBondContact O-CB 3.48Å; W74-K78 PolarHBondContact O-N 3.39Å; K75-K78 PolarHBondContact O-N 3.47Å; E76-K78 PolarHBondContact O-N 3.22Å; K78-T80 PolarHBondContact O-N 2.96Å; K78-D81 PolarHBondContact O-N 3Å; K78-D81 VanDerWaalsContact O-N 3.09Å; K78-T116 HydrophobicContact CB-CG2 4.42Å; K78-T116 HydrophobicContact CG-CG2 4.14Å; K78-I118 HydrophobicContact CB-CG2 3.84Å; K78-D119 WeakPolarHBondContact CD-OD1 3.36Å; K78-D119 WeakPolarHBondContact CE-OD1 3.23Å; K78-D119 IonicContact NZ-OD1 3.45Å; K78-D119 PolarHBondContact NZ-OD1 3.28Å
79A90.3Very high91.8Very high88 Ų8859.1 Ų59.173%0.72733%0.326SS*.Hα-helixtrans-62.3-25.7179.900000113.3K75 E76K75-A79 VanDerWaalsContact O-CB 3.31Å; K75-A79 WeakPolarHBondContact O-CB 3.49Å; K75-A79 PolarHBondContact O-N 2.88Å; E76-A79 PolarHBondContact O-N 3.21Å
80T91.5Very high92.2Very high44 Ų4459.1 Ų59.127%0.2733%0.331SS..THydrogen-bonded Turntrans-99.814178.657.90000113.2E76 L77 K78 S82 A83E76-T80 WeakPolarHBondContact O-CB 3.23Å; E76-T80 WeakPolarHBondContact O-CG2 3.48Å; E76-T80 PolarHBondContact O-N 2.89Å; E76-T80 PolarHBondContact O-OG1 2.86Å; L77-T80 PolarHBondContact O-N 2.78Å; L77-T80 PolarHBondContact O-OG1 3.33Å; K78-T80 PolarHBondContact O-N 2.96Å; T80-S82 PolarHBondContact O-N 3.44Å; T80-A83 VanDerWaalsContact O-CB 3.29Å; T80-A83 WeakPolarHBondContact O-CB 3.44Å; T80-A83 PolarHBondContact O-N 2.8Å
81D93.3Very high92.4Very high75 Ų7560.4 Ų60.440%0.40133%0.333SS..THydrogen-bonded Turntrans48.641.7-174.1-175.229.4000112.8L77 K78 A83 R86 T116L77-D81 PolarHBondContact O-N 3.19Å; K78-D81 PolarHBondContact O-N 3Å; K78-D81 VanDerWaalsContact O-N 3.09Å; D81-A83 PolarHBondContact O-N 3.42Å; D81-A83 VanDerWaalsContact O-N 3.17Å; D81-R86 VanDerWaalsContact CG-NE 3.32Å; D81-R86 WeakPolarHBondContact O-CD 3.37Å; D81-R86 PolarHBondContact O-NE 3.01Å; D81-R86 IonicContact OD1-CZ 3.42Å; D81-R86 IonicContact OD1-NE 3.24Å; D81-R86 PolarHBondContact OD1-NE 3.29Å; D81-R86 IonicContact OD1-NH2 2.75Å; D81-R86 PolarHBondContact OD1-NH2 3.41Å; D81-R86 IonicContact OD2-CZ 3.47Å; D81-R86 IonicContact OD2-NE 3.03Å; D81-R86 PolarHBondContact OD2-NE 3.06Å; D81-R86 IonicContact OD2-NH2 3.39Å; D81-R86 PolarHBondContact OD2-NH2 2.98Å; D81-T116 WeakPolarHBondContact CA-OG1 3.24Å; D81-T116 PolarHBondContact O-OG1 2.95Å; D81-T116 WeakPolarHBondContact OD1-CB 3.45Å; D81-T116 PolarHBondContact OD1-OG1 2.92Å
82S95.2Very high92.7Very high0 Ų065.7 Ų65.70%036%0.363CS..THydrogen-bonded Turntrans51.838-178.7-51.10000112.6L77 T80 T84 C85 R86 T116 C117 I118L77-S82 WeakPolarHBondContact O-CA 3.18Å; L77-S82 PolarHBondContact O-N 3Å; T80-S82 PolarHBondContact O-N 3.44Å; S82-T84 PolarHBondContact O-N 2.98Å; S82-T84 VanDerWaalsContact O-N 3.08Å; S82-C85 WeakPolarHBondContact O-CA 3.14Å; S82-C85 VanDerWaalsContact O-CB 3.3Å; S82-C85 WeakPolarHBondContact O-CB 3.21Å; S82-C85 PolarHBondContact O-N 3.35Å; S82-R86 PolarHBondContact O-N 3.42Å; S82-T116 WeakPolarHBondContact CB-OG1 3.4Å; S82-T116 PolarHBondContact N-OG1 2.76Å; S82-T116 PolarHBondContact OG-OG1 2.99Å; S82-C117 PolarHBondContact OG-N 3.29Å; S82-I118 PolarHBondContact OG-N 2.74Å; S82-I118 VanDerWaalsContact OG-N 3.12Å
83A94.1Very high93.1Very high51 Ų5167.1 Ų67.142%0.42138%0.381SS..Hα-helixtrans-51.4-36.6-173.200000114.1T80 D81 R86 S87T80-A83 VanDerWaalsContact O-CB 3.29Å; T80-A83 WeakPolarHBondContact O-CB 3.44Å; T80-A83 PolarHBondContact O-N 2.8Å; D81-A83 PolarHBondContact O-N 3.42Å; D81-A83 VanDerWaalsContact O-N 3.17Å; A83-R86 PolarHBondContact O-N 2.89Å; A83-S87 PolarHBondContact O-N 3.33Å
84T94.5Very high93.3Very high10 Ų1067.9 Ų67.96%0.06138%0.382CS..Hα-helixtrans-65.9-46.3176.451.40000111.8D26 C27 L77 S82 R86 S87D26-T84 WeakPolarHBondContact O-CB 3.32Å; C27-T84 VanDerWaalsContact O-CB 3.25Å; C27-T84 WeakPolarHBondContact O-CB 3.32Å; C27-T84 WeakPolarHBondContact O-CG2 3.38Å; C27-T84 PolarHBondContact O-OG1 3.36Å; L77-T84 WeakPolarHBondContact CD2-OG1 3.32Å; S82-T84 PolarHBondContact O-N 2.98Å; S82-T84 VanDerWaalsContact O-N 3.08Å; T84-R86 VanDerWaalsContact C-N 3.31Å; T84-R86 PolarHBondContact O-N 3.33Å; T84-S87 WeakPolarHBondContact O-CB 3.26Å; T84-S87 PolarHBondContact O-N 3.38Å; T84-S87 PolarHBondContact O-OG 3.33Å
85C95.4Very high93.5Very high38 Ų3870 Ų7026%0.25740%0.398SS..Hα-helixtrans-59.1-45171.9-46.40000110.8S82 S87 C88 H89 C117S82-C85 WeakPolarHBondContact O-CA 3.14Å; S82-C85 VanDerWaalsContact O-CB 3.3Å; S82-C85 WeakPolarHBondContact O-CB 3.21Å; S82-C85 PolarHBondContact O-N 3.35Å; C85-S87 PolarHBondContact O-N 3.44Å; C85-C88 PolarHBondContact O-N 3.19Å; C85-C88 VanDerWaalsContact O-N 3.15Å; C85-H89 WeakPolarHBondContact O-CB 3.4Å; C85-H89 PolarHBondContact O-CD2 2.73Å; C85-H89 PolarHBondContact O-N 2.97Å; C85-C117 HydrophobicContact CB-CB 4.34Å
86R95.2Very high93.7Very high69 Ų6963.7 Ų63.726%0.2637%0.371SS..Hα-helixtrans-68.6-14.5-178.5-66.9-172.6-171.6-83.17.4114.1D81 S82 A83 T84 C88 H89D81-R86 VanDerWaalsContact CG-NE 3.32Å; D81-R86 WeakPolarHBondContact O-CD 3.37Å; D81-R86 PolarHBondContact O-NE 3.01Å; D81-R86 IonicContact OD1-CZ 3.42Å; D81-R86 IonicContact OD1-NE 3.24Å; D81-R86 PolarHBondContact OD1-NE 3.29Å; D81-R86 IonicContact OD1-NH2 2.75Å; D81-R86 PolarHBondContact OD1-NH2 3.41Å; D81-R86 IonicContact OD2-CZ 3.47Å; D81-R86 IonicContact OD2-NE 3.03Å; D81-R86 PolarHBondContact OD2-NE 3.06Å; D81-R86 IonicContact OD2-NH2 3.39Å; D81-R86 PolarHBondContact OD2-NH2 2.98Å; S82-R86 PolarHBondContact O-N 3.42Å; A83-R86 PolarHBondContact O-N 2.89Å; T84-R86 VanDerWaalsContact C-N 3.31Å; T84-R86 PolarHBondContact O-N 3.33Å; R86-C88 PolarHBondContact O-N 2.93Å; R86-H89 CarbonylContact C-O 3.48Å; R86-H89 WeakPolarHBondContact CA-O 3.34Å; R86-H89 VanDerWaalsContact O-O 3.12Å
87S94.1Very high94Very high52 Ų5263.2 Ų63.236%0.36438%0.382SS..THydrogen-bonded Turntrans-71.2-16.6174.483.30000113.5K31 A83 T84 C85K31-S87 WeakPolarHBondContact CE-OG 3.24Å; K31-S87 PolarHBondContact NZ-OG 3.15Å; A83-S87 PolarHBondContact O-N 3.33Å; T84-S87 WeakPolarHBondContact O-CB 3.26Å; T84-S87 PolarHBondContact O-N 3.38Å; T84-S87 PolarHBondContact O-OG 3.33Å; C85-S87 PolarHBondContact O-N 3.44Å
88C94.9Very high94.2Very high91 Ų9166.5 Ų66.562%0.61541%0.407SS*.THydrogen-bonded Turntrans-121.6-25.4175.7-63.10000112.7C85 R86C85-C88 PolarHBondContact O-N 3.19Å; C85-C88 VanDerWaalsContact O-N 3.15Å; R86-C88 PolarHBondContact O-N 2.93Å
89H95.3Very high94.4Very high95 Ų9564.3 Ų64.344%0.4440%0.399SS..  trans-115.7135.7-178.1-61.2-79.8000111.5H13 C85 R86H13-H89 AromaticContact NE2-NE2 3.67Å; C85-H89 WeakPolarHBondContact O-CB 3.4Å; C85-H89 PolarHBondContact O-CD2 2.73Å; C85-H89 PolarHBondContact O-N 2.97Å; R86-H89 CarbonylContact C-O 3.48Å; R86-H89 WeakPolarHBondContact CA-O 3.34Å; R86-H89 VanDerWaalsContact O-O 3.12Å
90S95Very high94.7Very high53 Ų5363.4 Ų63.437%0.37139%0.387SS..  trans-138.6153.4169.169.60000110.1D92 A93 M94S90-D92 PolarHBondContact O-N 3.33Å; S90-A93 PolarHBondContact O-N 3.39Å; S90-A93 VanDerWaalsContact OG-CB 3.22Å; S90-A93 WeakPolarHBondContact OG-CB 3.39Å; S90-A93 PolarHBondContact OG-N 3.29Å; S90-A93 VanDerWaalsContact OG-N 3.13Å; S90-M94 WeakPolarHBondContact O-CB 3.35Å; S90-M94 PolarHBondContact O-N 3.04Å
91F93.8Very high94.9Very high43 Ų4369.6 Ų69.619%0.18941%0.413CS..THydrogen-bonded Turntrans-62.7-35.4174.8-70.2-59000111.4A93 M94 A110 Q111F91-A93 VanDerWaalsContact C-N 3.32Å; F91-A93 PolarHBondContact O-N 3.2Å; F91-M94 HydrophobicContact CD1-SD 4.46Å; F91-M94 WeakPolarHBondContact O-CB 3.29Å; F91-M94 PolarHBondContact O-N 2.92Å; F91-A110 HydrophobicContact CZ-CB 4.41Å; F91-Q111 HydrophobicContact CB-CG 4.14Å; F91-Q111 HydrophobicContact CD1-CG 3.68Å; F91-Q111 HydrophobicContact CD2-CG 3.54Å; F91-Q111 HydrophobicContact CE1-CG 3.86Å; F91-Q111 HydrophobicContact CE2-CG 3.71Å; F91-Q111 HydrophobicContact CG-CG 3.52Å; F91-Q111 HydrophobicContact CZ-CG 3.87Å
92D93Very high94.9Very high162 Ų16270 Ų7087%0.86642%0.421SS*.THydrogen-bonded Turntrans-68.2-28.6178.4-62.3-19.2000113.6S90S90-D92 PolarHBondContact O-N 3.33Å
93A95Very high94.8Very high83 Ų8371.3 Ų71.369%0.68643%0.432SS*.THydrogen-bonded Turntrans-90.2-6.6176.200000112.9S90 F91S90-A93 PolarHBondContact O-N 3.39Å; S90-A93 VanDerWaalsContact OG-CB 3.22Å; S90-A93 WeakPolarHBondContact OG-CB 3.39Å; S90-A93 PolarHBondContact OG-N 3.29Å; S90-A93 VanDerWaalsContact OG-N 3.13Å; F91-A93 VanDerWaalsContact C-N 3.32Å; F91-A93 PolarHBondContact O-N 3.2Å
94M94.7Very high94.8Very high51 Ų5171.7 Ų71.725%0.25143%0.425SS..  trans-85.4119.3-178.4-174179.3-72.700110.2S90 F91 I96 Q99 H107S90-M94 WeakPolarHBondContact O-CB 3.35Å; S90-M94 PolarHBondContact O-N 3.04Å; F91-M94 HydrophobicContact CD1-SD 4.46Å; F91-M94 WeakPolarHBondContact O-CB 3.29Å; F91-M94 PolarHBondContact O-N 2.92Å; M94-I96 VanDerWaalsContact C-N 3.27Å; M94-I96 HydrophobicContact CB-CG1 4.45Å; M94-I96 HydrophobicContact CG-CG1 4.09Å; M94-I96 PolarHBondContact O-N 3.47Å; M94-I96 HydrophobicContact SD-CG1 4.18Å; M94-Q99 PolarHBondContact SD-NE2 3.32Å; M94-H107 HydrophobicContact SD-CB 4.45Å; M94-H107 VanDerWaalsContact SD-CE1 3.53Å; M94-H107 PolarHBondContact SD-ND1 2.98Å; M94-H107 VanDerWaalsContact SD-ND1 3.42Å
95D96.1Very high94.8Very high96 Ų9678.4 Ų78.451%0.51345%0.454SS..  trans-75.483.2169.2-176.30.9000110A97 S98D95-A97 VanDerWaalsContact C-N 3.28Å; D95-A97 PolarHBondContact O-N 3.35Å; D95-A97 PolarHBondContact OD1-N 3.29Å; D95-S98 VanDerWaalsContact CG-OG 3.24Å; D95-S98 PolarHBondContact O-N 3.45Å; D95-S98 PolarHBondContact OD1-N 3.18Å; D95-S98 VanDerWaalsContact OD2-CB 3.23Å; D95-S98 WeakPolarHBondContact OD2-CB 3.21Å; D95-S98 PolarHBondContact OD2-OG 3.49Å
96I93.7Very high94.6Very high28 Ų2880.8 Ų80.814%0.14446%0.462CS..G310 helixtrans-59.3-41.1-179.8-65.8176.3000110.3M94 S98 Q99 Q104 Q111M94-I96 VanDerWaalsContact C-N 3.27Å; M94-I96 HydrophobicContact CB-CG1 4.45Å; M94-I96 HydrophobicContact CG-CG1 4.09Å; M94-I96 PolarHBondContact O-N 3.47Å; M94-I96 HydrophobicContact SD-CG1 4.18Å; I96-S98 PolarHBondContact O-N 3.34Å; I96-S98 VanDerWaalsContact O-N 3.16Å; I96-Q99 WeakPolarHBondContact O-CB 3.35Å; I96-Q99 PolarHBondContact O-N 3.23Å; I96-Q104 HydrophobicContact CG2-CB 4.17Å; I96-Q104 HydrophobicContact CG2-CG 3.95Å; I96-Q104 WeakPolarHBondContact O-CG 3.46Å; I96-Q111 VanDerWaalsContact CD1-NE2 3.28Å
97A94.6Very high94.6Very high79 Ų7978.9 Ų78.965%0.65346%0.456SS*.G310 helixtrans-61.9-27.7-176.300000113.2D95 Q99 Q104D95-A97 VanDerWaalsContact C-N 3.28Å; D95-A97 PolarHBondContact O-N 3.35Å; D95-A97 PolarHBondContact OD1-N 3.29Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; A97-Q104 PolarHBondContact O-NE2 2.94Å
98S96.5Very high94.5Very high94 Ų9479.6 Ų79.666%0.65746%0.456SS*.G310 helixtrans-83.2-1.6176.5-69.30000114.7D95 I96D95-S98 VanDerWaalsContact CG-OG 3.24Å; D95-S98 PolarHBondContact O-N 3.45Å; D95-S98 PolarHBondContact OD1-N 3.18Å; D95-S98 VanDerWaalsContact OD2-CB 3.23Å; D95-S98 WeakPolarHBondContact OD2-CB 3.21Å; D95-S98 PolarHBondContact OD2-OG 3.49Å; I96-S98 PolarHBondContact O-N 3.34Å; I96-S98 VanDerWaalsContact O-N 3.16Å
99Q95.8Very high94.4Very high49 Ų4980.2 Ų80.223%0.22945%0.448CS..SBendtrans-85.3168.1178-60.2178.9-12.800112.3M94 I96 A97 A103 Q104 H107M94-Q99 PolarHBondContact SD-NE2 3.32Å; I96-Q99 WeakPolarHBondContact O-CB 3.35Å; I96-Q99 PolarHBondContact O-N 3.23Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-A103 HydrophobicContact CB-CB 3.94Å; Q99-Q104 HydrophobicContact CB-CG 4.08Å; Q99-Q104 PolarHBondContact O-NE2 3.18Å; Q99-H107 PolarHBondContact NE2-ND1 3.05Å; Q99-H107 PolarHBondContact OE1-CE1 3.41Å; Q99-H107 PolarHBondContact OE1-ND1 3.37Å
100S96.8Very high94.2Very high69 Ų6976.3 Ų76.348%0.48343%0.432SS..  trans-60.3152169.766.60000111.2S102 A103 Q104S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 VanDerWaalsContact O-N 3.14Å; S100-S102 PolarHBondContact OG-OG 3.4Å; S100-S102 VanDerWaalsContact OG-OG 3.14Å; S100-A103 PolarHBondContact O-N 3.28Å; S100-A103 WeakPolarHBondContact OG-CB 3.33Å; S100-A103 PolarHBondContact OG-N 2.84Å; S100-Q104 WeakPolarHBondContact O-CG 3.46Å; S100-Q104 PolarHBondContact O-N 3.47Å
101E96.7Very high94.1Very high174 Ų17477.7 Ų77.781%0.81343%0.433SS*.Hα-helixtrans-54.4-36.8179.6-64.7-176.7172.400112.9K105E101-K105 PolarHBondContact O-N 2.92Å; E101-K105 VanDerWaalsContact O-N 3.09Å
102S92.3Very high93.9Very high82 Ų8284.4 Ų84.457%0.57346%0.462SS*.Hα-helixtrans-65.6-46.517658.80000112.1S100 K105 M106S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 VanDerWaalsContact O-N 3.14Å; S100-S102 PolarHBondContact OG-OG 3.4Å; S100-S102 VanDerWaalsContact OG-OG 3.14Å; S102-K105 PolarHBondContact O-N 3.22Å; S102-M106 WeakPolarHBondContact O-CG 3.3Å; S102-M106 PolarHBondContact O-N 3.28Å
103A93Very high93.6Very high28 Ų2879.5 Ų79.523%0.23145%0.45CS..Hα-helixtrans-65-40178.700000111.6Q99 S100 K105 M106 H107Q99-A103 HydrophobicContact CB-CB 3.94Å; S100-A103 PolarHBondContact O-N 3.28Å; S100-A103 WeakPolarHBondContact OG-CB 3.33Å; S100-A103 PolarHBondContact OG-N 2.84Å; A103-K105 VanDerWaalsContact C-N 3.35Å; A103-K105 PolarHBondContact O-N 3.48Å; A103-M106 PolarHBondContact O-N 2.94Å; A103-H107 PolarHBondContact O-N 2.92Å; A103-H107 PolarHBondContact O-ND1 3.49Å
104Q94.5Very high93.3Very high59 Ų5978.8 Ų78.828%0.27645%0.45SS..Hα-helixtrans-55.4-50.3172.5-71-175.441.700111.6I96 A97 Q99 S100 M106 N108I96-Q104 HydrophobicContact CG2-CB 4.17Å; I96-Q104 HydrophobicContact CG2-CG 3.95Å; I96-Q104 WeakPolarHBondContact O-CG 3.46Å; A97-Q104 PolarHBondContact O-NE2 2.94Å; Q99-Q104 HydrophobicContact CB-CG 4.08Å; Q99-Q104 PolarHBondContact O-NE2 3.18Å; S100-Q104 WeakPolarHBondContact O-CG 3.46Å; S100-Q104 PolarHBondContact O-N 3.47Å; Q104-M106 VanDerWaalsContact C-N 3.34Å; Q104-M106 PolarHBondContact O-N 3.37Å; Q104-N108 VanDerWaalsContact O-CB 3.31Å; Q104-N108 WeakPolarHBondContact O-CB 3.15Å; Q104-N108 VanDerWaalsContact O-CG 3.3Å; Q104-N108 PolarHBondContact O-N 3.46Å; Q104-N108 PolarHBondContact O-ND2 3.15Å
105K94.1Very high93.1Very high152 Ų15277.8 Ų77.866%0.66145%0.445SS*.Hα-helixtrans-61.6-43.7179.5-172.2-178.5177.11800111.5E101 S102 A103 K109E101-K105 PolarHBondContact O-N 2.92Å; E101-K105 VanDerWaalsContact O-N 3.09Å; S102-K105 PolarHBondContact O-N 3.22Å; A103-K105 VanDerWaalsContact C-N 3.35Å; A103-K105 PolarHBondContact O-N 3.48Å; K105-K109 WeakPolarHBondContact O-CB 3.4Å; K105-K109 PolarHBondContact O-N 2.9Å
106M92Very high93Very high88 Ų8873.7 Ų73.743%0.43342%0.423SS..Hα-helixtrans-68.9-47.1-178.2-67.6-56.5107.300112.3S102 A103 Q104 N108 K109 A110S102-M106 WeakPolarHBondContact O-CG 3.3Å; S102-M106 PolarHBondContact O-N 3.28Å; A103-M106 PolarHBondContact O-N 2.94Å; Q104-M106 VanDerWaalsContact C-N 3.34Å; Q104-M106 PolarHBondContact O-N 3.37Å; M106-N108 VanDerWaalsContact C-N 3.32Å; M106-N108 PolarHBondContact O-N 2.84Å; M106-K109 WeakPolarHBondContact O-CB 3.46Å; M106-K109 PolarHBondContact O-N 3.14Å; M106-K109 VanDerWaalsContact O-N 3.09Å; M106-A110 PolarHBondContact O-N 3.25Å
107H95Very high93.1Very high29 Ų2973.7 Ų73.713%0.13443%0.426CS..Hα-helixtrans-64.5-35.7177.3-73.9140.5000112.9M94 Q99 A103 K109 A110 Q111 H121M94-H107 HydrophobicContact SD-CB 4.45Å; M94-H107 VanDerWaalsContact SD-CE1 3.53Å; M94-H107 PolarHBondContact SD-ND1 2.98Å; M94-H107 VanDerWaalsContact SD-ND1 3.42Å; Q99-H107 PolarHBondContact NE2-ND1 3.05Å; Q99-H107 PolarHBondContact OE1-CE1 3.41Å; Q99-H107 PolarHBondContact OE1-ND1 3.37Å; A103-H107 PolarHBondContact O-N 2.92Å; A103-H107 PolarHBondContact O-ND1 3.49Å; H107-K109 VanDerWaalsContact C-N 3.32Å; H107-A110 PolarHBondContact O-N 3.19Å; H107-Q111 WeakPolarHBondContact O-CG 3.45Å; H107-Q111 PolarHBondContact O-N 3.37Å; H107-Q111 VanDerWaalsContact O-N 3.1Å; H107-Q111 PolarHBondContact O-NE2 2.92Å; H107-Q111 VanDerWaalsContact O-NE2 3.12Å; H107-H121 AromaticContact NE2-NE2 3.74Å
108N92.7Very high93Very high67 Ų6770.5 Ų70.536%0.35840%0.397SS..Hα-helixtrans-66.8-34.7173.1-78.2-50.2000112.4Q104 M106 K112Q104-N108 VanDerWaalsContact O-CB 3.31Å; Q104-N108 WeakPolarHBondContact O-CB 3.15Å; Q104-N108 VanDerWaalsContact O-CG 3.3Å; Q104-N108 PolarHBondContact O-N 3.46Å; Q104-N108 PolarHBondContact O-ND2 3.15Å; M106-N108 VanDerWaalsContact C-N 3.32Å; M106-N108 PolarHBondContact O-N 2.84Å; N108-K112 WeakPolarHBondContact O-CG 3.17Å; N108-K112 PolarHBondContact O-N 3.17Å
109K91Very high92.7Very high104 Ų10466.7 Ų66.745%0.45237%0.37SS..Hα-helixtrans-68-47.6173.9-173.1-166.2172.1-128.60110.6K105 M106 H107 Q111 K112 G113 E115K105-K109 WeakPolarHBondContact O-CB 3.4Å; K105-K109 PolarHBondContact O-N 2.9Å; M106-K109 WeakPolarHBondContact O-CB 3.46Å; M106-K109 PolarHBondContact O-N 3.14Å; M106-K109 VanDerWaalsContact O-N 3.09Å; H107-K109 VanDerWaalsContact C-N 3.32Å; K109-Q111 VanDerWaalsContact C-N 3.33Å; K109-Q111 PolarHBondContact O-N 3.47Å; K109-K112 PolarHBondContact O-N 3.16Å; K109-K112 VanDerWaalsContact O-N 3.08Å; K109-G113 PolarHBondContact O-N 2.82Å; K109-E115 IonicContact NZ-OE1 2.78Å; K109-E115 PolarHBondContact NZ-OE1 2.7Å
110A92.3Very high92.5Very high12 Ų1267 Ų6710%0.09938%0.377CS..Hα-helixtrans-56.7-45.9-179.600000112.1F91 M106 H107 K112 G113 G114 E115F91-A110 HydrophobicContact CZ-CB 4.41Å; M106-A110 PolarHBondContact O-N 3.25Å; H107-A110 PolarHBondContact O-N 3.19Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 2.94Å; A110-G113 PolarHBondContact O-N 3.2Å; A110-G114 PolarHBondContact O-N 3.13Å; A110-E115 WeakPolarHBondContact CA-OE2 3.11Å; A110-E115 HydrophobicContact CB-CB 3.95Å; A110-E115 PolarHBondContact O-N 3.09Å; A110-E115 VanDerWaalsContact O-N 3.11Å
111Q91.7Very high92.3Very high83 Ų8368.1 Ų68.139%0.38837%0.374SS..Hα-helixtrans-60.2-38.4176.1-76.3174.28300113.4F91 I96 H107 K109F91-Q111 HydrophobicContact CB-CG 4.14Å; F91-Q111 HydrophobicContact CD1-CG 3.68Å; F91-Q111 HydrophobicContact CD2-CG 3.54Å; F91-Q111 HydrophobicContact CE1-CG 3.86Å; F91-Q111 HydrophobicContact CE2-CG 3.71Å; F91-Q111 HydrophobicContact CG-CG 3.52Å; F91-Q111 HydrophobicContact CZ-CG 3.87Å; I96-Q111 VanDerWaalsContact CD1-NE2 3.28Å; H107-Q111 WeakPolarHBondContact O-CG 3.45Å; H107-Q111 PolarHBondContact O-N 3.37Å; H107-Q111 VanDerWaalsContact O-N 3.1Å; H107-Q111 PolarHBondContact O-NE2 2.92Å; H107-Q111 VanDerWaalsContact O-NE2 3.12Å; K109-Q111 VanDerWaalsContact C-N 3.33Å; K109-Q111 PolarHBondContact O-N 3.47Å
112K90.3Very high92Very high184 Ų18462.1 Ų62.180%0.835%0.345SS*.Hα-helixtrans-77.9-33.6178.8-70175.1-176.4179.70112.7N108 K109 A110N108-K112 WeakPolarHBondContact O-CG 3.17Å; N108-K112 PolarHBondContact O-N 3.17Å; K109-K112 PolarHBondContact O-N 3.16Å; K109-K112 VanDerWaalsContact O-N 3.08Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 2.94Å
113G86.6Confident91.8Very high59 Ų5959.7 Ų59.761%0.60833%0.333SS*.Hα-helixtrans-87.3-11.5-175.200000114.6K109 A110 E115K109-G113 PolarHBondContact O-N 2.82Å; A110-G113 PolarHBondContact O-N 3.2Å; G113-E115 VanDerWaalsContact C-N 3.3Å
114G88.5Confident91.7Very high67 Ų6762.1 Ų62.169%0.69134%0.341SS*.THydrogen-bonded Turntrans72.923.6-173.300000113.3A110A110-G114 PolarHBondContact O-N 3.13Å
115E91.3Very high91.6Very high31 Ų3160.4 Ų60.415%0.14534%0.337CS..  trans-72.9145.4175.3-58.4170177.500109.5K109 A110 G113 A274K109-E115 IonicContact NZ-OE1 2.78Å; K109-E115 PolarHBondContact NZ-OE1 2.7Å; A110-E115 WeakPolarHBondContact CA-OE2 3.11Å; A110-E115 HydrophobicContact CB-CB 3.95Å; A110-E115 PolarHBondContact O-N 3.09Å; A110-E115 VanDerWaalsContact O-N 3.11Å; G113-E115 VanDerWaalsContact C-N 3.3Å; E115-A274 HydrophobicContact CG-CB 4.05Å
116T94.1Very high91.5Very high10 Ų1055.9 Ų55.96%0.06132%0.318CS..  trans-102.3163.3178.3-165.60000112.1K78 D81 S82 I118 D119K78-T116 HydrophobicContact CB-CG2 4.42Å; K78-T116 HydrophobicContact CG-CG2 4.14Å; D81-T116 WeakPolarHBondContact CA-OG1 3.24Å; D81-T116 PolarHBondContact O-OG1 2.95Å; D81-T116 WeakPolarHBondContact OD1-CB 3.45Å; D81-T116 PolarHBondContact OD1-OG1 2.92Å; S82-T116 WeakPolarHBondContact CB-OG1 3.4Å; S82-T116 PolarHBondContact N-OG1 2.76Å; S82-T116 PolarHBondContact OG-OG1 2.99Å; T116-I118 VanDerWaalsContact C-N 3.26Å; T116-I118 HydrophobicContact CG2-CG2 3.69Å; T116-I118 PolarHBondContact O-N 3.02Å; T116-D119 WeakPolarHBondContact CG2-OD2 3.05Å; T116-D119 PolarHBondContact N-OD2 3.47Å; T116-D119 WeakPolarHBondContact O-CB 3.46Å; T116-D119 PolarHBondContact O-N 2.89Å
117C94.8Very high91.3Very high28 Ų2858.5 Ų58.519%0.18933%0.327CS..G310 helixtrans-52.7-44.4-174.4-49.30000112S82 C85 D119 C120 H121S82-C117 PolarHBondContact OG-N 3.29Å; C85-C117 HydrophobicContact CB-CB 4.34Å; C117-D119 VanDerWaalsContact C-N 3.26Å; C117-D119 PolarHBondContact O-N 3.28Å; C117-C120 PolarHBondContact O-N 2.97Å; C117-H121 VanDerWaalsContact O-CB 3.27Å; C117-H121 WeakPolarHBondContact O-CB 3.19Å; C117-H121 PolarHBondContact O-N 2.78Å
118I93.4Very high90.8Very high12 Ų1261 Ų616%0.06235%0.346CS..G310 helixtrans-71.2-14-177.6-162.356.2000114.5W74 L77 K78 S82 T116 C120 H121 K122W74-I118 HydrophobicContact CB-CG1 4.12Å; W74-I118 HydrophobicContact CG-CD1 4.34Å; W74-I118 HydrophobicContact CG-CG1 4.2Å; L77-I118 HydrophobicContact CB-CB 3.85Å; L77-I118 HydrophobicContact CB-CG1 3.87Å; L77-I118 HydrophobicContact CB-CG2 3.73Å; L77-I118 HydrophobicContact CD1-CB 4.4Å; L77-I118 HydrophobicContact CD1-CD1 3.79Å; L77-I118 HydrophobicContact CD1-CG1 3.87Å; K78-I118 HydrophobicContact CB-CG2 3.84Å; S82-I118 PolarHBondContact OG-N 2.74Å; S82-I118 VanDerWaalsContact OG-N 3.12Å; T116-I118 VanDerWaalsContact C-N 3.26Å; T116-I118 HydrophobicContact CG2-CG2 3.69Å; T116-I118 PolarHBondContact O-N 3.02Å; I118-C120 PolarHBondContact O-N 3.38Å; I118-H121 WeakPolarHBondContact CD1-O 3.34Å; I118-K122 HydrophobicContact CD1-CG 4.07Å; I118-K122 WeakPolarHBondContact O-CE 3.39Å; I118-K122 WeakPolarHBondContact O-CG 3.42Å
119D90.9Very high90.3Very high14 Ų1458.5 Ų58.58%0.07533%0.334CS..G310 helixtrans-65.1-24.4175.2-73-48.5000111.8K78 T116 C117 A274K78-D119 WeakPolarHBondContact CD-OD1 3.36Å; K78-D119 WeakPolarHBondContact CE-OD1 3.23Å; K78-D119 IonicContact NZ-OD1 3.45Å; K78-D119 PolarHBondContact NZ-OD1 3.28Å; T116-D119 WeakPolarHBondContact CG2-OD2 3.05Å; T116-D119 PolarHBondContact N-OD2 3.47Å; T116-D119 WeakPolarHBondContact O-CB 3.46Å; T116-D119 PolarHBondContact O-N 2.89Å; C117-D119 VanDerWaalsContact C-N 3.26Å; C117-D119 PolarHBondContact O-N 3.28Å; D119-A274 HydrophobicContact CB-CB 3.98Å
120C91.2Very high89.7Confident56 Ų5660.3 Ų60.338%0.37834%0.344SS..THydrogen-bonded Turntrans-123.9-32.2178.6-64.30000113.4C117 I118 K122C117-C120 PolarHBondContact O-N 2.97Å; I118-C120 PolarHBondContact O-N 3.38Å; C120-K122 VanDerWaalsContact C-N 3.33Å; C120-K122 PolarHBondContact O-N 3.22Å; C120-K122 VanDerWaalsContact O-N 3.17Å
121H92.3Very high88.7Confident91 Ų9163.2 Ų63.242%0.42136%0.357SS..  trans-91.860.8-177.1-69.3-64.7000112.2H107 C117 I118 I124H107-H121 AromaticContact NE2-NE2 3.74Å; C117-H121 VanDerWaalsContact O-CB 3.27Å; C117-H121 WeakPolarHBondContact O-CB 3.19Å; C117-H121 PolarHBondContact O-N 2.78Å; I118-H121 WeakPolarHBondContact CD1-O 3.34Å; H121-I124 HydrophobicContact CB-CD1 3.77Å; H121-I124 HydrophobicContact CB-CG1 3.78Å; H121-I124 VanDerWaalsContact O-CG1 3.28Å; H121-I124 WeakPolarHBondContact O-CG1 3.49Å
122K89.3Confident87.5Confident48 Ų4865.5 Ų65.521%0.20937%0.366CS..  trans-86.2147.4170-66.6175.4179.8171.40110.3W74 I118 C120 A270W74-K122 HydrophobicContact CD2-CD 3.77Å; W74-K122 HydrophobicContact CD2-CG 3.98Å; W74-K122 HydrophobicContact CE3-CD 3.8Å; W74-K122 HydrophobicContact CG-CD 4.39Å; W74-K122 HydrophobicContact CG-CG 4.28Å; W74-K122 HydrophobicContact CH2-CD 4.08Å; W74-K122 HydrophobicContact CZ2-CB 3.89Å; W74-K122 HydrophobicContact CZ2-CD 4.07Å; W74-K122 HydrophobicContact CZ2-CG 4.14Å; W74-K122 HydrophobicContact CZ3-CD 3.96Å; I118-K122 HydrophobicContact CD1-CG 4.07Å; I118-K122 WeakPolarHBondContact O-CE 3.39Å; I118-K122 WeakPolarHBondContact O-CG 3.42Å; C120-K122 VanDerWaalsContact C-N 3.33Å; C120-K122 PolarHBondContact O-N 3.22Å; C120-K122 VanDerWaalsContact O-N 3.17Å; K122-A270 PolarHBondContact NZ-O 2.88Å
123G89Confident86.2Confident31 Ų3157.7 Ų57.732%0.3233%0.332SS..SBendtrans69.930.6178.200000115.2H126G123-H126 CarbonylContact C-O 3.56Å; G123-H126 WeakPolarHBondContact CA-O 3.26Å; G123-H126 VanDerWaalsContact O-O 3.1Å
124I90.8Very high84.8Confident79 Ų7958.5 Ų58.541%0.40532%0.323SS..SBendtrans-70.6-42-178.7-64.3-65.3000112.8T11 H121T11-I124 WeakPolarHBondContact CG2-O 3.46Å; H121-I124 HydrophobicContact CB-CD1 3.77Å; H121-I124 HydrophobicContact CB-CG1 3.78Å; H121-I124 VanDerWaalsContact O-CG1 3.28Å; H121-I124 WeakPolarHBondContact O-CG1 3.49Å
125A92.6Very high83.4Confident23 Ų2361.5 Ų61.519%0.1932%0.323CS..SBendtrans-103.3-20.7-177.200000113.3E7 Y8E7-A125 CarbonylContact C-O 3.46Å; Y8-A125 WeakPolarHBondContact CA-O 3.42Å; Y8-A125 HydrophobicContact CD2-CB 4.41Å; Y8-A125 PolarHBondContact N-O 3.11Å
126H92.3Very high82Confident58 Ų5864.7 Ų64.727%0.26934%0.341SS..SBendtrans-139.7153.1-171.9-54.2-49.4000108.7P4 E7 H28 G123P4-H126 PolarHBondContact O-CE1 3.45Å; P4-H126 PolarHBondContact O-ND1 3.46Å; E7-H126 VanDerWaalsContact OE2-CA 3.26Å; E7-H126 WeakPolarHBondContact OE2-CA 3.34Å; E7-H126 WeakPolarHBondContact OE2-CB 3.33Å; H28-H126 AromaticContact NE2-NE2 3.96Å; G123-H126 CarbonylContact C-O 3.56Å; G123-H126 WeakPolarHBondContact CA-O 3.26Å; G123-H126 VanDerWaalsContact O-O 3.1Å
127F88Confident80.8Confident142 Ų14264.4 Ų64.462%0.62334%0.34SS*.PPolyproline II helixtrans-62137.8176-62.6-52.2000110.5E7 R66E7-F127 HydrophobicContact CG-CD2 3.69Å; E7-F127 HydrophobicContact CG-CE2 3.72Å; E7-F127 WeakPolarHBondContact OE1-CD2 3.4Å; E7-F127 PolarHBondContact OE2-N 3.11Å; R66-F127 PolarHBondContact NH1-O 2.65Å
128P84Confident79.6Confident82 Ų8264.9 Ų64.953%0.53235%0.345SS..PPolyproline II helixtrans-59.4146.717127.4-33.6000109.5
129P82.5Confident78.8Confident15 Ų1569.4 Ų69.410%0.09737%0.366CS..PPolyproline II helixtrans-60.1151.6173.728.2-35.3000110.9R66 Q67 A70 W74 I131R66-P129 HydrophobicContact CB-CB 4.48Å; R66-P129 HydrophobicContact CG-CB 4.09Å; Q67-P129 HydrophobicContact CB-CB 3.8Å; Q67-P129 HydrophobicContact CB-CG 4.19Å; Q67-P129 HydrophobicContact CG-CB 4.37Å; Q67-P129 HydrophobicContact CG-CG 4.29Å; A70-P129 HydrophobicContact CB-CG 4.17Å; W74-P129 HydrophobicContact CH2-CG 3.92Å; P129-I131 PolarHBondContact O-N 2.9Å
130E78.7Confident78.2Confident141 Ų14174.2 Ų74.266%0.65939%0.388SS*.PPolyproline II helixtrans-59.7121.6156.7-69.4-175.1172.800107.4Q67 K132Q67-E130 PolarHBondContact OE1-O 3.44Å; E130-K132 PolarHBondContact O-N 3.03Å; E130-K132 WeakPolarHBondContact OE2-CE 3.49Å; E130-K132 IonicContact OE2-NZ 3.51Å; E130-K132 PolarHBondContact OE2-NZ 3.41Å
131I71.5Confident78Confident74 Ų7471.8 Ų71.838%0.37937%0.372SS..  trans-70.8104.8174.9-61.3169.1000107P129 T267 Y268P129-I131 PolarHBondContact O-N 2.9Å; I131-T267 WeakPolarHBondContact CD1-O 3.48Å; I131-T267 HydrophobicContact CG2-CG2 3.48Å; I131-T267 VanDerWaalsContact CG2-CG2 3.48Å; I131-Y268 HydrophobicContact CG2-CD1 3.68Å; I131-Y268 HydrophobicContact CG2-CE1 3.56Å; I131-Y268 HydrophobicContact CG2-CG 4.5Å
132K65Low77.6Confident130 Ų13071.9 Ų71.957%0.56537%0.372SS*.  trans-114.1125.4165.7-69.9175.8-177.71530106.1Q67 E130 D134Q67-K132 PolarHBondContact NE2-O 2.84Å; Q67-K132 VanDerWaalsContact OE1-N 3.15Å; Q67-K132 PolarHBondContact OE1-O 3.4Å; E130-K132 PolarHBondContact O-N 3.03Å; E130-K132 WeakPolarHBondContact OE2-CE 3.49Å; E130-K132 IonicContact OE2-NZ 3.51Å; E130-K132 PolarHBondContact OE2-NZ 3.41Å; K132-D134 PolarHBondContact O-N 2.89Å
133M62.4Low77.3Confident21 Ų2174 Ų7410%0.10339%0.393CS..  trans-63.3129.1159.7-95.9-78.911900107.6D135 Y260 K263 L264 T267 Y268 E303M133-D135 PolarHBondContact O-N 2.9Å; M133-Y260 HydrophobicContact SD-CE2 4.3Å; M133-K263 HydrophobicContact CE-CG 4.46Å; M133-L264 HydrophobicContact CE-CD2 4.04Å; M133-L264 HydrophobicContact CG-CD2 3.91Å; M133-L264 HydrophobicContact SD-CD2 3.39Å; M133-L264 WeakPolarHBondContact SD-CD2 3.45Å; M133-L264 HydrophobicContact SD-CG 4.48Å; M133-T267 HydrophobicContact CE-CG2 3.53Å; M133-T267 VanDerWaalsContact CE-OG1 3.29Å; M133-T267 WeakPolarHBondContact CE-OG1 3.21Å; M133-Y268 HydrophobicContact CB-CE2 4.41Å; M133-Y268 WeakPolarHBondContact CB-OH 3.44Å; M133-Y268 HydrophobicContact CE-CE2 4.27Å; M133-Y268 HydrophobicContact CG-CD2 4.4Å; M133-Y268 HydrophobicContact CG-CE2 3.23Å; M133-Y268 VanDerWaalsContact CG-CZ 3.44Å; M133-Y268 WeakPolarHBondContact CG-OH 3.36Å; M133-Y268 HydrophobicContact SD-CE2 4.27Å; M133-E303 WeakPolarHBondContact CB-OE1 3.41Å; M133-E303 WeakPolarHBondContact CG-OE1 3.46Å
134D58.4Low77.1Confident76 Ų7676.4 Ų76.441%0.40640%0.396SS..  trans-67.8116.3169.4-177.83.5000107.6K132 N136 A137K132-D134 PolarHBondContact O-N 2.89Å; D134-N136 PolarHBondContact O-N 3.24Å; D134-N136 VanDerWaalsContact OD1-CB 3.26Å; D134-N136 WeakPolarHBondContact OD1-CB 3.44Å; D134-N136 PolarHBondContact OD1-N 3.37Å; D134-N136 PolarHBondContact OD1-ND2 3.14Å; D134-N136 WeakPolarHBondContact OD2-CB 3.16Å; D134-N136 PolarHBondContact OD2-ND2 2.85Å; D134-N136 VanDerWaalsContact OD2-ND2 3.17Å; D134-A137 WeakPolarHBondContact O-CB 3.39Å; D134-A137 PolarHBondContact O-N 3.14Å
135D59.5Low76.9Confident130 Ų13074.4 Ų74.470%0.69539%0.387SS*.Hα-helixtrans-50.9-25.8173.3-68.8-30.8000111.4M133 A137 H139M133-D135 PolarHBondContact O-N 2.9Å; D135-A137 VanDerWaalsContact C-N 3.28Å; D135-A137 PolarHBondContact O-N 3.35Å; D135-H139 PolarHBondContact O-N 2.78Å
136N61.1Low76.1Confident97 Ų9774.8 Ų74.852%0.51939%0.391SS..Hα-helixtrans-65.1-26.9177.1-58.8-43.8000113.7D134 A138 H139 E140D134-N136 PolarHBondContact O-N 3.24Å; D134-N136 VanDerWaalsContact OD1-CB 3.26Å; D134-N136 WeakPolarHBondContact OD1-CB 3.44Å; D134-N136 PolarHBondContact OD1-N 3.37Å; D134-N136 PolarHBondContact OD1-ND2 3.14Å; D134-N136 WeakPolarHBondContact OD2-CB 3.16Å; D134-N136 PolarHBondContact OD2-ND2 2.85Å; D134-N136 VanDerWaalsContact OD2-ND2 3.17Å; N136-A138 PolarHBondContact O-N 2.9Å; N136-H139 CarbonylContact O-C 3.53Å; N136-H139 PolarHBondContact O-N 3.46Å; N136-E140 WeakPolarHBondContact O-CB 3.48Å; N136-E140 PolarHBondContact O-N 3.39Å
137A68.2Low75.4Confident4 Ų478.9 Ų78.93%0.03342%0.42CS..Hα-helixtrans-68.8-36.3-174.800000112.1D134 D135 E140 L141 Y260D134-A137 WeakPolarHBondContact O-CB 3.39Å; D134-A137 PolarHBondContact O-N 3.14Å; D135-A137 VanDerWaalsContact C-N 3.28Å; D135-A137 PolarHBondContact O-N 3.35Å; A137-E140 PolarHBondContact O-N 3.31Å; A137-L141 PolarHBondContact O-N 3.09Å; A137-Y260 HydrophobicContact CB-CD2 3.88Å; A137-Y260 HydrophobicContact CB-CE2 3.52Å
138A71.4Confident75Confident38 Ų3876.9 Ų76.931%0.31442%0.424SS..Hα-helixtrans-70.5-41.2170.800000111.5N136 E140 L141 E142N136-A138 PolarHBondContact O-N 2.9Å; A138-E140 PolarHBondContact O-N 3.01Å; A138-L141 WeakPolarHBondContact O-CB 3.49Å; A138-L141 PolarHBondContact O-N 3.43Å; A138-E142 PolarHBondContact O-N 2.99Å
139H74.9Confident75.2Confident107 Ų10774.8 Ų74.850%0.49541%0.409SS..Hα-helixtrans-62.3-30.2174.2-65163000112.6D135 N136 L141 E142 S143D135-H139 PolarHBondContact O-N 2.78Å; N136-H139 CarbonylContact O-C 3.53Å; N136-H139 PolarHBondContact O-N 3.46Å; H139-L141 VanDerWaalsContact C-N 3.33Å; H139-E142 WeakPolarHBondContact O-CB 3.37Å; H139-E142 PolarHBondContact O-N 3.25Å; H139-S143 PolarHBondContact O-N 3.28Å
140E79.2Confident75.7Confident116 Ų11678.8 Ų78.854%0.54243%0.434SS..Hα-helixtrans-66.3-36.6177-167176.8-178.900111.2N136 A137 A138 S143 Q144N136-E140 WeakPolarHBondContact O-CB 3.48Å; N136-E140 PolarHBondContact O-N 3.39Å; A137-E140 PolarHBondContact O-N 3.31Å; A138-E140 PolarHBondContact O-N 3.01Å; E140-S143 PolarHBondContact O-N 2.96Å; E140-S143 PolarHBondContact O-OG 3.4Å; E140-Q144 WeakPolarHBondContact O-CG 3.28Å; E140-Q144 PolarHBondContact O-N 3.48Å; E140-Q144 PolarHBondContact O-NE2 3.21Å
141L85.9Confident76.5Confident5 Ų576.9 Ų76.93%0.02643%0.428CS..Hα-helixtrans-64.2-41.4170.9-65.4176.7000111.4A137 A138 H139 S143 Q144 T145 F158 L251 P256 L257 Y260A137-L141 PolarHBondContact O-N 3.09Å; A138-L141 WeakPolarHBondContact O-CB 3.49Å; A138-L141 PolarHBondContact O-N 3.43Å; H139-L141 VanDerWaalsContact C-N 3.33Å; L141-S143 VanDerWaalsContact C-N 3.28Å; L141-S143 PolarHBondContact O-N 3.38Å; L141-Q144 PolarHBondContact O-N 2.78Å; L141-Q144 VanDerWaalsContact O-N 3.09Å; L141-T145 PolarHBondContact O-N 3.25Å; L141-F158 HydrophobicContact CB-CB 4.49Å; L141-F158 HydrophobicContact CB-CD2 4.12Å; L141-F158 HydrophobicContact CB-CG 4.35Å; L141-F158 HydrophobicContact CD1-CB 4.35Å; L141-L251 HydrophobicContact CD2-CD1 4.26Å; L141-L251 WeakPolarHBondContact O-CD2 3.33Å; L141-P256 HydrophobicContact CD2-CB 3.92Å; L141-L257 HydrophobicContact CD1-CD1 4Å; L141-Y260 HydrophobicContact CD1-CD1 3.53Å; L141-Y260 HydrophobicContact CD1-CE1 4.08Å; L141-Y260 HydrophobicContact CD1-CG 3.84Å; L141-Y260 HydrophobicContact CG-CG 4.47Å
142E84.4Confident77.7Confident92 Ų9275.9 Ų75.943%0.4344%0.436SS..Hα-helixtrans-61.2-39.3175.9-64.6-169.115900111.8A138 H139 Q144 T145 F158A138-E142 PolarHBondContact O-N 2.99Å; H139-E142 WeakPolarHBondContact O-CB 3.37Å; H139-E142 PolarHBondContact O-N 3.25Å; E142-Q144 PolarHBondContact O-N 3.03Å; E142-T145 WeakPolarHBondContact O-CB 3.47Å; E142-T145 VanDerWaalsContact O-CG2 3.24Å; E142-T145 WeakPolarHBondContact O-CG2 3.47Å; E142-T145 PolarHBondContact O-N 2.73Å; E142-T145 PolarHBondContact O-OG1 3.23Å; E142-F158 HydrophobicContact CG-CE2 3.6Å; E142-F158 HydrophobicContact CG-CZ 3.78Å
143S83.8Confident79.1Confident94 Ų9471 Ų7166%0.65742%0.419SS*.Hα-helixtrans-66.9-21.4176.781.10000113.6H139 E140 L141H139-S143 PolarHBondContact O-N 3.28Å; E140-S143 PolarHBondContact O-N 2.96Å; E140-S143 PolarHBondContact O-OG 3.4Å; L141-S143 VanDerWaalsContact C-N 3.28Å; L141-S143 PolarHBondContact O-N 3.38Å
144Q84.3Confident80.7Confident81 Ų8173.9 Ų73.938%0.37943%0.433SS..THydrogen-bonded Turntrans-95.35.8178.1-69.8179.577.900113.4E140 L141 E142 L251 P256E140-Q144 WeakPolarHBondContact O-CG 3.28Å; E140-Q144 PolarHBondContact O-N 3.48Å; E140-Q144 PolarHBondContact O-NE2 3.21Å; L141-Q144 PolarHBondContact O-N 2.78Å; L141-Q144 VanDerWaalsContact O-N 3.09Å; E142-Q144 PolarHBondContact O-N 3.03Å; Q144-L251 HydrophobicContact CB-CD2 3.99Å; Q144-P256 VanDerWaalsContact OE1-CB 3.31Å
145T85.7Confident82.6Confident36 Ų3670.4 Ų70.422%0.22141%0.414CS..BIsolated β-bridgetrans-61.7146.6176.254.50000111.7L141 E142 T147 F158 P249L141-T145 PolarHBondContact O-N 3.25Å; E142-T145 WeakPolarHBondContact O-CB 3.47Å; E142-T145 VanDerWaalsContact O-CG2 3.24Å; E142-T145 WeakPolarHBondContact O-CG2 3.47Å; E142-T145 PolarHBondContact O-N 2.73Å; E142-T145 PolarHBondContact O-OG1 3.23Å; T145-T147 PolarHBondContact O-N 2.85Å; T145-F158 HydrophobicContact CG2-CD1 4.05Å; T145-F158 HydrophobicContact CG2-CE1 3.34Å; T145-F158 HydrophobicContact CG2-CZ 3.93Å; T145-P249 HydrophobicContact CG2-CB 3.67Å
146A77.1Confident84.3Confident31 Ų3165.5 Ų65.526%0.25639%0.386SS..  trans-65.5109.8179.100000109.9S148 V149 A250 A252A146-S148 PolarHBondContact O-N 3.13Å; A146-V149 HydrophobicContact CB-CG1 3.68Å; A146-A250 PolarHBondContact N-O 2.93Å; A146-A252 HydrophobicContact CB-CB 4.2Å
147T77Confident85.9Confident144 Ų14460.9 Ų60.988%0.88336%0.361SS*.SBendtrans-67.4-23.7177.3500000112.9T145T145-T147 PolarHBondContact O-N 2.85Å
148S80.5Confident87.1Confident101 Ų10161.1 Ų61.171%0.70636%0.362SS*.SBendtrans-153.2137.5174.758.30000109.1A146A146-S148 PolarHBondContact O-N 3.13Å
149V87.8Confident88.1Confident37 Ų3762.1 Ų62.122%0.22436%0.359CS..  trans-117.5153.4176.9-63.70000109.9A146 I155 V177 A180 P185A146-V149 HydrophobicContact CB-CG1 3.68Å; V149-I155 HydrophobicContact CG1-CG2 3.69Å; V149-V177 HydrophobicContact CB-CG2 4.09Å; V149-V177 HydrophobicContact CG2-CG1 4.01Å; V149-V177 HydrophobicContact CG2-CG2 4.04Å; V149-A180 HydrophobicContact CG2-CB 4.04Å; V149-A180 VanDerWaalsContact O-CB 3.25Å; V149-A180 WeakPolarHBondContact O-CB 3.2Å; V149-P185 HydrophobicContact CG2-CB 3.92Å; V149-P185 HydrophobicContact CG2-CG 4.31Å
150T93.4Very high89.1Confident100 Ų10060.1 Ų60.161%0.61335%0.354SS*.  trans-111.7155.717554.90000110.4G152 A153T150-G152 PolarHBondContact O-N 2.85Å; T150-A153 WeakPolarHBondContact O-CB 3.12Å; T150-A153 PolarHBondContact O-N 3.17Å
151N95.5Very high89.8Confident100 Ų10054.7 Ų54.754%0.53533%0.329SS..THydrogen-bonded Turntrans-57.6136.4171.7-64.72.2000110A153 D179 A180N151-A153 VanDerWaalsContact C-N 3.31Å; N151-D179 WeakPolarHBondContact OD1-CA 3.47Å; N151-A180 WeakPolarHBondContact OD1-CB 3.21Å; N151-A180 PolarHBondContact OD1-N 3.39Å
152G95.3Very high90.4Very high53 Ų5361.1 Ų61.155%0.54635%0.353SS..THydrogen-bonded Turntrans83.1-4.9-173.500000115T150 V177T150-G152 PolarHBondContact O-N 2.85Å; G152-V177 PolarHBondContact N-O 2.87Å
153A95.7Very high91Very high27 Ų2756.8 Ų56.822%0.22333%0.333CS..  trans-71.3143.7175.200000111.2T150 N151 V177T150-A153 WeakPolarHBondContact O-CB 3.12Å; T150-A153 PolarHBondContact O-N 3.17Å; N151-A153 VanDerWaalsContact C-N 3.31Å; A153-V177 PolarHBondContact O-N 3.07Å
154H96.2Very high91.6Very high82 Ų8253.5 Ų53.538%0.3831%0.314SS..EExtended strand (participates in β ladder)trans-89.2135.6168.1-71-101.9000109.5Y156 D174 L175H154-Y156 HydrophobicContact CB-CE2 4.33Å; H154-D174 IonicContact CE1-OD1 3.39Å; H154-D174 IonicContact CE1-OD2 3.9Å; H154-D174 PolarHBondContact CE1-OD2 2.99Å; H154-D174 IonicContact CG-OD1 3.56Å; H154-D174 VanDerWaalsContact ND1-CG 3.28Å; H154-D174 IonicContact ND1-OD1 2.85Å; H154-D174 PolarHBondContact ND1-OD1 3.42Å; H154-D174 IonicContact ND1-OD2 2.78Å; H154-D174 PolarHBondContact ND1-OD2 3.3Å; H154-L175 CarbonylContact C-O 3.45Å; H154-L175 WeakPolarHBondContact CA-O 3.13Å
155I96.8Very high92.2Very high4 Ų457.1 Ų57.12%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-134.9153.5176.561.8177.1000111.5V149 L175 V177 P185 V187 L246 A250 L251V149-I155 HydrophobicContact CG1-CG2 3.69Å; I155-L175 HydrophobicContact CG1-CB 4.04Å; I155-L175 PolarHBondContact N-O 3.27Å; I155-L175 WeakPolarHBondContact O-CB 3.49Å; I155-L175 PolarHBondContact O-N 2.82Å; I155-V177 HydrophobicContact CD1-CG2 3.63Å; I155-V177 HydrophobicContact CG1-CG2 3.95Å; I155-V177 HydrophobicContact CG2-CG2 4.08Å; I155-P185 HydrophobicContact CD1-CG 4.35Å; I155-V187 HydrophobicContact CD1-CG1 3.82Å; I155-V187 HydrophobicContact CG1-CG1 4.41Å; I155-L246 HydrophobicContact CD1-CD2 3.7Å; I155-A250 HydrophobicContact CB-CB 3.94Å; I155-A250 HydrophobicContact CD1-CB 4.08Å; I155-A250 HydrophobicContact CG1-CB 4.19Å; I155-L251 CarbonylContact C-O 3.47Å; I155-L251 VanDerWaalsContact CA-O 3.23Å; I155-L251 WeakPolarHBondContact CA-O 3.23Å
156Y96.1Very high92.8Very high27 Ų2757.4 Ų57.411%0.10633%0.331CS..BIsolated β-bridgetrans-132113.7-167.7-51.8-76.4000111H154 F158 D174 A250 L251 R254H154-Y156 HydrophobicContact CB-CE2 4.33Å; Y156-F158 PolarHBondContact O-N 2.94Å; Y156-D174 HydrophobicContact CD1-CB 4.41Å; Y156-D174 HydrophobicContact CE1-CB 3.88Å; Y156-D174 WeakPolarHBondContact CE1-OD1 3.36Å; Y156-A250 WeakPolarHBondContact O-CA 3.42Å; Y156-A250 WeakPolarHBondContact O-CB 3.39Å; Y156-L251 PolarHBondContact N-O 3.03Å; Y156-L251 PolarHBondContact O-N 3.15Å; Y156-R254 HydrophobicContact CD1-CG 3.29Å; Y156-R254 HydrophobicContact CD2-CG 3.75Å; Y156-R254 HydrophobicContact CE1-CG 3.61Å; Y156-R254 HydrophobicContact CE2-CG 4.02Å; Y156-R254 HydrophobicContact CG-CG 3.34Å
157P95.4Very high93.8Very high0 Ų056.1 Ų56.10%032%0.32CS..  trans-56.6133.8170.2-25.236.7000110.3V169 P171 G172 T173 L175P157-V169 HydrophobicContact CG-CG1 4.01Å; P157-P171 CarbonylContact O-C 3.53Å; P157-P171 VanDerWaalsContact O-CA 3.26Å; P157-P171 WeakPolarHBondContact O-CA 3.26Å; P157-G172 PolarHBondContact O-N 2.74Å; P157-T173 WeakPolarHBondContact CD-O 3.26Å; P157-L175 HydrophobicContact CG-CD1 3.71Å
158F93Very high94.8Very high9 Ų951.7 Ų51.74%0.03929%0.293CS..SBendtrans-101.60.9175.661.4-86.4000112.4L141 E142 T145 Y156 P249 L251 L257 I306L141-F158 HydrophobicContact CB-CB 4.49Å; L141-F158 HydrophobicContact CB-CD2 4.12Å; L141-F158 HydrophobicContact CB-CG 4.35Å; L141-F158 HydrophobicContact CD1-CB 4.35Å; E142-F158 HydrophobicContact CG-CE2 3.6Å; E142-F158 HydrophobicContact CG-CZ 3.78Å; T145-F158 HydrophobicContact CG2-CD1 4.05Å; T145-F158 HydrophobicContact CG2-CE1 3.34Å; T145-F158 HydrophobicContact CG2-CZ 3.93Å; Y156-F158 PolarHBondContact O-N 2.94Å; F158-P249 HydrophobicContact CE1-CB 4.2Å; F158-P249 VanDerWaalsContact CE1-O 3.29Å; F158-P249 WeakPolarHBondContact CE1-O 3.36Å; F158-L251 HydrophobicContact CB-CD1 3.86Å; F158-L251 HydrophobicContact CB-CG 4.08Å; F158-L251 HydrophobicContact CD1-CD2 4.4Å; F158-L251 HydrophobicContact CD1-CG 4.13Å; F158-L251 HydrophobicContact CG-CG 4.46Å; F158-L257 HydrophobicContact CB-CD1 4.01Å; F158-I306 VanDerWaalsContact O-CD1 3.32Å; F158-I306 WeakPolarHBondContact O-CD1 3.16Å
159K92.7Very high95.6Very high59 Ų5946.9 Ų46.926%0.25726%0.26SS..SBendtrans-145.8172.6174.564.5-177.7-179.7-174.10108.6S161 N302K159-S161 PolarHBondContact O-N 2.87Å; K159-S161 PolarHBondContact O-OG 3.09Å; K159-N302 WeakPolarHBondContact CA-OD1 3.45Å
160T94.5Very high96Very high65 Ų6546.1 Ų46.140%0.39925%0.254SS..  trans-60.7117.7168.9-59.90000109.8T168 V169T160-T168 HydrophobicContact CG2-CG2 3.3Å; T160-V169 WeakPolarHBondContact CA-O 3.29Å
161S95.4Very high96.1Very high1 Ų141.4 Ų41.41%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-123.6171.7-174.3-650000111.1K159 T168 V169 D248K159-S161 PolarHBondContact O-N 2.87Å; K159-S161 PolarHBondContact O-OG 3.09Å; S161-T168 CarbonylContact O-C 3.5Å; S161-T168 WeakPolarHBondContact O-CA 3.41Å; S161-V169 PolarHBondContact N-O 3.34Å; S161-V169 PolarHBondContact O-N 2.85Å; S161-D248 WeakPolarHBondContact CA-OD2 3.28Å; S161-D248 WeakPolarHBondContact OG-CB 3.05Å
162R97.9Very high96.1Very high141 Ų14136.7 Ų36.753%0.53220%0.2SC..EExtended strand (participates in β ladder)trans-123.6147.6176.5-60.3-177.3178.2139.21.9114.3G164 A167 T247 D248R162-G164 WeakPolarHBondContact CB-O 3.35Å; R162-A167 WeakPolarHBondContact CA-O 3.27Å; R162-T247 HydrophobicContact CB-CG2 4.44Å; R162-T247 WeakPolarHBondContact CB-OG1 3.28Å; R162-T247 PolarHBondContact N-OG1 2.73Å; R162-T247 PolarHBondContact O-N 3.05Å; R162-T247 PolarHBondContact O-OG1 2.59Å; R162-D248 PolarHBondContact N-OD2 3.3Å
163I97.8Very high96.2Very high0 Ų034.2 Ų34.20%017%0.174CC..EExtended strand (participates in β ladder)trans-99.887.3163.3-62174.8000106.8E165 L166 A167 V169 L175 V187 L189 G244 A245I163-E165 PolarHBondContact O-N 2.85Å; I163-L166 WeakPolarHBondContact O-CB 3.47Å; I163-L166 PolarHBondContact O-N 3.11Å; I163-A167 HydrophobicContact CB-CB 4.43Å; I163-A167 PolarHBondContact N-O 2.83Å; I163-A167 PolarHBondContact O-N 3.3Å; I163-V169 HydrophobicContact CD1-CG2 3.72Å; I163-V169 HydrophobicContact CG1-CG2 3.71Å; I163-L175 HydrophobicContact CD1-CD2 4.41Å; I163-V187 HydrophobicContact CD1-CG2 3.99Å; I163-V187 HydrophobicContact CG1-CG2 4.02Å; I163-L189 HydrophobicContact CD1-CB 3.9Å; I163-L189 HydrophobicContact CD1-CD2 4.11Å; I163-G244 VanDerWaalsContact CG2-CA 3.4Å; I163-A245 CarbonylContact C-O 3.54Å; I163-A245 VanDerWaalsContact CA-O 3.31Å; I163-A245 WeakPolarHBondContact CA-O 3.42Å
164G95.6Very high96.2Very high26 Ų2635.4 Ų35.427%0.26818%0.177SC..THydrogen-bonded Turntrans45.9-130.3-169.600000112.2R162 A245R162-G164 WeakPolarHBondContact CB-O 3.35Å; G164-A245 PolarHBondContact N-O 3.38Å
165E96.4Very high96.3Very high157 Ų15731.5 Ų31.573%0.73416%0.159SC*.THydrogen-bonded Turntrans-94.24.6173.2-59.5-59.4142.800112.9I163 S215I163-E165 PolarHBondContact O-N 2.85Å; E165-S215 VanDerWaalsContact O-CB 3.29Å; E165-S215 WeakPolarHBondContact O-CB 3.14Å; E165-S215 PolarHBondContact O-OG 3.46Å
166L98.1Very high96.4Very high41 Ų4132.5 Ų32.522%0.21517%0.165CC..THydrogen-bonded Turntrans-85.5-36.5-171.2-57.1177.4000112.4I163 S215 E217 G218 A221 L242I163-L166 WeakPolarHBondContact O-CB 3.47Å; I163-L166 PolarHBondContact O-N 3.11Å; L166-S215 WeakPolarHBondContact CA-OG 3.41Å; L166-S215 PolarHBondContact O-N 3.39Å; L166-S215 PolarHBondContact O-OG 2.83Å; L166-S215 VanDerWaalsContact O-OG 3.11Å; L166-E217 HydrophobicContact CD2-CB 3.95Å; L166-G218 WeakPolarHBondContact O-CA 3.24Å; L166-A221 HydrophobicContact CD1-CB 4.47Å; L166-A221 HydrophobicContact CD2-CB 4.26Å; L166-L242 HydrophobicContact CB-CD1 4.34Å; L166-L242 HydrophobicContact CB-CD2 3.83Å; L166-L242 HydrophobicContact CD1-CD1 4.12Å
167A98.4Very high96.5Very high5 Ų531.2 Ų31.24%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-155.4149.6-17700000113R162 I163 A212 T213 L214 L242R162-A167 WeakPolarHBondContact CA-O 3.27Å; I163-A167 HydrophobicContact CB-CB 4.43Å; I163-A167 PolarHBondContact N-O 2.83Å; I163-A167 PolarHBondContact O-N 3.3Å; A167-A212 HydrophobicContact CB-CB 4.37Å; A167-T213 CarbonylContact C-O 3.3Å; A167-T213 VanDerWaalsContact CA-O 3.26Å; A167-T213 WeakPolarHBondContact CA-O 3.34Å; A167-L214 HydrophobicContact CB-CD2 3.77Å; A167-L242 HydrophobicContact CB-CD2 3.64Å
168T98.2Very high96.6Very high51 Ų5133.6 Ų33.631%0.31318%0.175SC..EExtended strand (participates in β ladder)trans-98.7127162.3-60.10000108.4T160 S161 A212 T213T160-T168 HydrophobicContact CG2-CG2 3.3Å; S161-T168 CarbonylContact O-C 3.5Å; S161-T168 WeakPolarHBondContact O-CA 3.41Å; T168-A212 CarbonylContact O-C 3.49Å; T168-A212 WeakPolarHBondContact O-CA 3.16Å; T168-A212 VanDerWaalsContact O-CB 3.24Å; T168-A212 WeakPolarHBondContact O-CB 3.35Å; T168-T213 PolarHBondContact N-O 3.34Å; T168-T213 PolarHBondContact O-N 3.37Å
169V98Very high96.8Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-111.2134.6-172.8-174.60000110P157 T160 S161 I163 T173 L175 A212P157-V169 HydrophobicContact CG-CG1 4.01Å; T160-V169 WeakPolarHBondContact CA-O 3.29Å; S161-V169 PolarHBondContact N-O 3.34Å; S161-V169 PolarHBondContact O-N 2.85Å; I163-V169 HydrophobicContact CD1-CG2 3.72Å; I163-V169 HydrophobicContact CG1-CG2 3.71Å; V169-T173 HydrophobicContact CG1-CG2 3.64Å; V169-L175 HydrophobicContact CG1-CD1 4.48Å; V169-A212 HydrophobicContact CG2-CB 4.2Å
170N96.7Very high96.8Very high21 Ų2134.8 Ų34.811%0.11219%0.189CC..  trans-82.3154.2-178-67.8-26000112T173 A210 L211N170-T173 VanDerWaalsContact O-CB 3.28Å; N170-T173 WeakPolarHBondContact O-CB 3.46Å; N170-T173 PolarHBondContact O-N 3.47Å; N170-T173 PolarHBondContact O-OG1 3.08Å; N170-A210 PolarHBondContact ND2-O 3.37Å; N170-L211 PolarHBondContact N-O 3Å
171P95.1Very high96.7Very high1 Ų136.7 Ų36.71%0.00621%0.205CC..THydrogen-bonded Turntrans-54.2144.5174.5-21.428.5000113.2P157 T173 I306P157-P171 CarbonylContact O-C 3.53Å; P157-P171 VanDerWaalsContact O-CA 3.26Å; P157-P171 WeakPolarHBondContact O-CA 3.26Å; P171-T173 PolarHBondContact O-N 3.49Å; P171-I306 HydrophobicContact CB-CG1 3.88Å; P171-I306 HydrophobicContact CG-CG1 4.05Å
172G95Very high96.3Very high0 Ų038.9 Ų38.90%023%0.227CC..THydrogen-bonded Turntrans76.3-2178.700000114.9P157 D174 Y313P157-G172 PolarHBondContact O-N 2.74Å; G172-D174 PolarHBondContact O-N 3.38Å; G172-Y313 PolarHBondContact O-OH 3.37Å
173T97Very high95.9Very high1 Ų142.6 Ų42.61%0.00625%0.247CC..  trans-61.3130.5175.6-62.30000110.5P157 V169 N170 P171 L175 L189 L211P157-T173 WeakPolarHBondContact CD-O 3.26Å; V169-T173 HydrophobicContact CG1-CG2 3.64Å; N170-T173 VanDerWaalsContact O-CB 3.28Å; N170-T173 WeakPolarHBondContact O-CB 3.46Å; N170-T173 PolarHBondContact O-N 3.47Å; N170-T173 PolarHBondContact O-OG1 3.08Å; P171-T173 PolarHBondContact O-N 3.49Å; T173-L175 HydrophobicContact CG2-CD2 4.1Å; T173-L175 HydrophobicContact CG2-CG 4.39Å; T173-L189 HydrophobicContact CG2-CD1 3.61Å; T173-L211 HydrophobicContact CG2-CB 3.9Å; T173-L211 HydrophobicContact CG2-CD2 4.13Å; T173-L211 HydrophobicContact CG2-CG 4.44Å; T173-L211 PolarHBondContact OG1-O 3.42Å; T173-L211 VanDerWaalsContact OG1-O 3.1Å
174D96.8Very high95.6Very high52 Ų5246.9 Ų46.928%0.27827%0.267SS..  trans-74.9124.6174.2-173.837.6000110.9H154 Y156 G172H154-D174 IonicContact CE1-OD1 3.39Å; H154-D174 IonicContact CE1-OD2 3.9Å; H154-D174 PolarHBondContact CE1-OD2 2.99Å; H154-D174 IonicContact CG-OD1 3.56Å; H154-D174 VanDerWaalsContact ND1-CG 3.28Å; H154-D174 IonicContact ND1-OD1 2.85Å; H154-D174 PolarHBondContact ND1-OD1 3.42Å; H154-D174 IonicContact ND1-OD2 2.78Å; H154-D174 PolarHBondContact ND1-OD2 3.3Å; Y156-D174 HydrophobicContact CD1-CB 4.41Å; Y156-D174 HydrophobicContact CE1-CB 3.88Å; Y156-D174 WeakPolarHBondContact CE1-OD1 3.36Å; G172-D174 PolarHBondContact O-N 3.38Å
175L98Very high95.6Very high0 Ų046.9 Ų46.90%026%0.263CS..EExtended strand (participates in β ladder)trans-128.4128.9178.3-62.3175.7000109.8H154 I155 P157 I163 V169 T173 V187 L189 L246H154-L175 CarbonylContact C-O 3.45Å; H154-L175 WeakPolarHBondContact CA-O 3.13Å; I155-L175 HydrophobicContact CG1-CB 4.04Å; I155-L175 PolarHBondContact N-O 3.27Å; I155-L175 WeakPolarHBondContact O-CB 3.49Å; I155-L175 PolarHBondContact O-N 2.82Å; P157-L175 HydrophobicContact CG-CD1 3.71Å; I163-L175 HydrophobicContact CD1-CD2 4.41Å; V169-L175 HydrophobicContact CG1-CD1 4.48Å; T173-L175 HydrophobicContact CG2-CD2 4.1Å; T173-L175 HydrophobicContact CG2-CG 4.39Å; L175-V187 HydrophobicContact CB-CB 4.17Å; L175-V187 HydrophobicContact CB-CG1 4.31Å; L175-V187 HydrophobicContact CD1-CG2 4.27Å; L175-V187 HydrophobicContact CD2-CG2 4.48Å; L175-L189 HydrophobicContact CD2-CB 3.79Å; L175-L189 HydrophobicContact CD2-CD1 3.87Å; L175-L189 HydrophobicContact CD2-CG 4.38Å; L175-L246 HydrophobicContact CD1-CD1 3.95Å; L175-L246 HydrophobicContact CD1-CD2 4.2Å
176T98.1Very high95.7Very high25 Ų2541.6 Ų41.615%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-93.8123.3176.6-52.40000110.3V178 V187 L188T176-V178 PolarHBondContact O-N 3.12Å; T176-V187 CarbonylContact O-C 3.46Å; T176-V187 WeakPolarHBondContact O-CA 3.44Å; T176-L188 PolarHBondContact N-O 2.84Å; T176-L188 PolarHBondContact O-N 3.29Å
177V97.9Very high95.7Very high0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-70.9121.5174.2179.30000109.4V149 G152 A153 I155 A180 P185 V187V149-V177 HydrophobicContact CB-CG2 4.09Å; V149-V177 HydrophobicContact CG2-CG1 4.01Å; V149-V177 HydrophobicContact CG2-CG2 4.04Å; G152-V177 PolarHBondContact N-O 2.87Å; A153-V177 PolarHBondContact O-N 3.07Å; I155-V177 HydrophobicContact CD1-CG2 3.63Å; I155-V177 HydrophobicContact CG1-CG2 3.95Å; I155-V177 HydrophobicContact CG2-CG2 4.08Å; V177-A180 HydrophobicContact CG1-CB 3.95Å; V177-P185 HydrophobicContact CG1-CB 4.07Å; V177-P185 HydrophobicContact CG2-CB 4.43Å; V177-V187 HydrophobicContact CG2-CG1 4.47Å
178V97.6Very high95.7Very high51 Ų5141.2 Ų41.231%0.30924%0.236SC..EExtended strand (participates in β ladder)trans-109.4-24.3-178.7-72.30000112.4T176 I186 L188 Q243T176-V178 PolarHBondContact O-N 3.12Å; V178-I186 HydrophobicContact CG2-CB 4.05Å; V178-I186 HydrophobicContact CG2-CG2 3.72Å; V178-I186 WeakPolarHBondContact CG2-O 3.44Å; V178-I186 PolarHBondContact N-O 3.33Å; V178-L188 HydrophobicContact CG1-CB 3.84Å; V178-Q243 HydrophobicContact CG2-CG 3.96Å
179D96.8Very high95.7Very high60 Ų6038.8 Ų38.832%0.32122%0.221SC..EExtended strand (participates in β ladder)trans-146.6114.8169.1-175.72.5000110.8N151 S181 P185 I186N151-D179 WeakPolarHBondContact OD1-CA 3.47Å; D179-S181 WeakPolarHBondContact OD1-CB 3.46Å; D179-S181 PolarHBondContact OD1-N 2.82Å; D179-S181 PolarHBondContact OD1-OG 3.27Å; D179-S181 PolarHBondContact OD2-OG 3.1Å; D179-P185 CarbonylContact O-C 3.2Å; D179-P185 WeakPolarHBondContact O-CA 3.34Å; D179-I186 HydrophobicContact CB-CB 3.97Å; D179-I186 HydrophobicContact CB-CG1 4.01Å; D179-I186 PolarHBondContact N-O 2.85Å; D179-I186 PolarHBondContact O-N 3.31Å
180A94.5Very high95.7Very high32 Ų3244 Ų4426%0.26425%0.246SC..  trans-1015.6177.400000113.7V149 N151 V177 G182V149-A180 HydrophobicContact CG2-CB 4.04Å; V149-A180 VanDerWaalsContact O-CB 3.25Å; V149-A180 WeakPolarHBondContact O-CB 3.2Å; N151-A180 WeakPolarHBondContact OD1-CB 3.21Å; N151-A180 PolarHBondContact OD1-N 3.39Å; V177-A180 HydrophobicContact CG1-CB 3.95Å; A180-G182 VanDerWaalsContact C-N 3.32Å; A180-G182 PolarHBondContact O-N 2.98Å
181S91.6Very high95.7Very high105 Ų10543.4 Ų43.473%0.73424%0.244SC*.SBendtrans-74.7-21.2-174.868.10000114D179D179-S181 WeakPolarHBondContact OD1-CB 3.46Å; D179-S181 PolarHBondContact OD1-N 2.82Å; D179-S181 PolarHBondContact OD1-OG 3.27Å; D179-S181 PolarHBondContact OD2-OG 3.1Å
182G87.8Confident95.8Very high47 Ų4746.6 Ų46.649%0.48526%0.256SS..SBendtrans-84.5179.3-179.200000114.3A180 Q184A180-G182 VanDerWaalsContact C-N 3.32Å; A180-G182 PolarHBondContact O-N 2.98Å; G182-Q184 VanDerWaalsContact C-N 3.28Å; G182-Q184 PolarHBondContact O-N 3.16Å
183K87.7Confident95.8Very high220 Ų22046.6 Ų46.696%0.95726%0.256SS*.SBendtrans-67-31.1172.4-69-175.2178-178.10112.9
184Q92.7Very high95.8Very high89 Ų8948.3 Ų48.342%0.41627%0.265SS..SBendtrans-121.4136.6174.7-76.8172.8-16.500107G182 A245 L246G182-Q184 VanDerWaalsContact C-N 3.28Å; G182-Q184 PolarHBondContact O-N 3.16Å; Q184-A245 HydrophobicContact CB-CB 4.39Å; Q184-L246 WeakPolarHBondContact CB-O 3.49Å; Q184-L246 WeakPolarHBondContact CG-O 3.35Å
185P95.5Very high95.8Very high26 Ų2651 Ų5117%0.16928%0.276CS..  trans-68.2139.2176.528.7-32.5000109.9V149 I155 V177 D179 L246V149-P185 HydrophobicContact CG2-CB 3.92Å; V149-P185 HydrophobicContact CG2-CG 4.31Å; I155-P185 HydrophobicContact CD1-CG 4.35Å; V177-P185 HydrophobicContact CG1-CB 4.07Å; V177-P185 HydrophobicContact CG2-CB 4.43Å; D179-P185 CarbonylContact O-C 3.2Å; D179-P185 WeakPolarHBondContact O-CA 3.34Å; P185-L246 HydrophobicContact CG-CB 4.37Å; P185-L246 PolarHBondContact O-N 3.01Å
186I97.7Very high95.6Very high47 Ų4754.3 Ų54.324%0.24131%0.31CS..EExtended strand (participates in β ladder)trans-79.5126.8162.2-51.3-56.5000107.2V178 D179 Q243 G244 A245V178-I186 HydrophobicContact CG2-CB 4.05Å; V178-I186 HydrophobicContact CG2-CG2 3.72Å; V178-I186 WeakPolarHBondContact CG2-O 3.44Å; V178-I186 PolarHBondContact N-O 3.33Å; D179-I186 HydrophobicContact CB-CB 3.97Å; D179-I186 HydrophobicContact CB-CG1 4.01Å; D179-I186 PolarHBondContact N-O 2.85Å; D179-I186 PolarHBondContact O-N 3.31Å; I186-Q243 HydrophobicContact CG2-CG 3.44Å; I186-Q243 VanDerWaalsContact CG2-CG 3.44Å; I186-G244 WeakPolarHBondContact CA-O 3.39Å; I186-A245 HydrophobicContact CD1-CB 3.78Å
187V98.3Very high95.4Very high0 Ų054.3 Ų54.30%031%0.311CS..EExtended strand (participates in β ladder)trans-115.3151.7-178.9-64.60000111.1I155 I163 L175 T176 V177 Q243 G244 L246I155-V187 HydrophobicContact CD1-CG1 3.82Å; I155-V187 HydrophobicContact CG1-CG1 4.41Å; I163-V187 HydrophobicContact CD1-CG2 3.99Å; I163-V187 HydrophobicContact CG1-CG2 4.02Å; L175-V187 HydrophobicContact CB-CB 4.17Å; L175-V187 HydrophobicContact CB-CG1 4.31Å; L175-V187 HydrophobicContact CD1-CG2 4.27Å; L175-V187 HydrophobicContact CD2-CG2 4.48Å; T176-V187 CarbonylContact O-C 3.46Å; T176-V187 WeakPolarHBondContact O-CA 3.44Å; V177-V187 HydrophobicContact CG2-CG1 4.47Å; V187-Q243 VanDerWaalsContact O-CA 3.27Å; V187-Q243 WeakPolarHBondContact O-CA 3.18Å; V187-Q243 WeakPolarHBondContact O-CG 3.47Å; V187-G244 WeakPolarHBondContact CG2-O 3.45Å; V187-G244 PolarHBondContact N-O 2.97Å; V187-G244 PolarHBondContact O-N 3.25Å; V187-G244 VanDerWaalsContact O-N 3.11Å; V187-L246 HydrophobicContact CG1-CB 3.94Å; V187-L246 HydrophobicContact CG1-CD2 4.33Å; V187-L246 HydrophobicContact CG2-CB 3.98Å
188L98.3Very high95.3Very high38 Ų3857.2 Ų57.220%0.19932%0.324CS..EExtended strand (participates in β ladder)trans-104.9118.6168.7179.569.6000108.6T176 V178 Q190T176-L188 PolarHBondContact N-O 2.84Å; T176-L188 PolarHBondContact O-N 3.29Å; V178-L188 HydrophobicContact CG1-CB 3.84Å; L188-Q190 HydrophobicContact CD1-CG 4.47Å; L188-Q190 HydrophobicContact CD2-CG 3.9Å; L188-Q190 HydrophobicContact CG-CG 3.82Å
189L98.3Very high95.3Very high0 Ų058.4 Ų58.40%033%0.329CS..EExtended strand (participates in β ladder)trans-96.8127.6168.5170.262.8000108.6I163 T173 L175 L201 L211 A212 S241 L242I163-L189 HydrophobicContact CD1-CB 3.9Å; I163-L189 HydrophobicContact CD1-CD2 4.11Å; T173-L189 HydrophobicContact CG2-CD1 3.61Å; L175-L189 HydrophobicContact CD2-CB 3.79Å; L175-L189 HydrophobicContact CD2-CD1 3.87Å; L175-L189 HydrophobicContact CD2-CG 4.38Å; L189-L201 HydrophobicContact CD2-CD1 3.8Å; L189-L201 HydrophobicContact CG-CD1 3.97Å; L189-L211 HydrophobicContact CD1-CB 4.16Å; L189-L211 HydrophobicContact CD1-CD1 4.28Å; L189-A212 HydrophobicContact CD2-CB 3.47Å; L189-A212 VanDerWaalsContact CD2-CB 3.47Å; L189-S241 CarbonylContact O-C 3.53Å; L189-S241 WeakPolarHBondContact O-CA 3.36Å; L189-S241 WeakPolarHBondContact O-CB 3.35Å; L189-L242 PolarHBondContact N-O 2.99Å; L189-L242 PolarHBondContact O-N 3.17Å
190Q97.6Very high95.4Very high110 Ų11056.2 Ų56.251%0.51432%0.318SS..EExtended strand (participates in β ladder)trans-122141.2177.3-56.5-174.9-91.300110.3L188 L211L188-Q190 HydrophobicContact CD1-CG 4.47Å; L188-Q190 HydrophobicContact CD2-CG 3.9Å; L188-Q190 HydrophobicContact CG-CG 3.82Å; Q190-L211 WeakPolarHBondContact O-CD1 3.23Å
191G96.8Very high95.5Very high7 Ų754.7 Ų54.77%0.07231%0.305CS..EExtended strand (participates in β ladder)trans-175.1-164.2177.200000112.8Y202 A240G191-Y202 CarbonylContact C-O 3.56Å; G191-Y202 VanDerWaalsContact CA-O 3.32Å; G191-Y202 WeakPolarHBondContact CA-O 3.37Å; G191-A240 PolarHBondContact N-O 3.4Å; G191-A240 PolarHBondContact O-N 3.01Å; G191-A240 VanDerWaalsContact O-O 3.04Å
192Y97Very high95.8Very high68 Ų6851 Ų5127%0.26728%0.275SS..EExtended strand (participates in β ladder)trans-115.5136.7-178.5-68.1-103.6000110.5L201 Y202 L203 A204 A205 R238 Q239Y192-L201 WeakPolarHBondContact O-CA 3.35Å; Y192-Y202 PolarHBondContact N-O 3.3Å; Y192-Y202 WeakPolarHBondContact O-CD2 3.38Å; Y192-Y202 PolarHBondContact O-N 3.43Å; Y192-L203 VanDerWaalsContact CD2-O 3.31Å; Y192-L203 WeakPolarHBondContact CD2-O 3.47Å; Y192-A204 VanDerWaalsContact CD2-CA 3.47Å; Y192-A205 HydrophobicContact CD1-CB 4.07Å; Y192-A205 HydrophobicContact CE1-CB 4.38Å; Y192-R238 CarbonylContact C-O 3.35Å; Y192-R238 VanDerWaalsContact CA-O 3.32Å; Y192-R238 WeakPolarHBondContact CA-O 3.46Å; Y192-Q239 HydrophobicContact CD1-CG 3.88Å; Y192-Q239 HydrophobicContact CE1-CG 3.39Å; Y192-Q239 HydrophobicContact CE2-CG 4.36Å; Y192-Q239 PolarHBondContact OH-NE2 2.98Å
193Q96.7Very high96.1Very high0 Ų051.4 Ų51.40%027%0.266CS..EExtended strand (participates in β ladder)trans-103.7136.6172.9-168-179.158.500109.3E198 L201 W228 W237 R238Q193-E198 HydrophobicContact CG-CB 4.16Å; Q193-E198 HydrophobicContact CG-CG 4.12Å; Q193-E198 VanDerWaalsContact NE2-CA 3.31Å; Q193-E198 VanDerWaalsContact NE2-CB 3.3Å; Q193-E198 PolarHBondContact NE2-O 3.11Å; Q193-L201 HydrophobicContact CB-CD2 4.26Å; Q193-W228 WeakPolarHBondContact O-CZ3 3.46Å; Q193-W237 WeakPolarHBondContact O-CA 3.38Å; Q193-R238 HydrophobicContact CB-CG 4.22Å; Q193-R238 PolarHBondContact N-O 3.14Å; Q193-R238 PolarHBondContact O-N 3.4Å
194M96.1Very high96.4Very high38 Ų3842.1 Ų42.119%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-98136.3173.1-168.7-179.76800109.7G196 S197 Y202 N235 Q236 W237M194-G196 PolarHBondContact O-N 2.84Å; M194-S197 CarbonylContact O-C 3.57Å; M194-S197 VanDerWaalsContact O-C 3.3Å; M194-S197 PolarHBondContact O-N 3.48Å; M194-Y202 HydrophobicContact CB-CE2 4.24Å; M194-N235 HydrophobicContact CG-CB 4.41Å; M194-N235 HydrophobicContact SD-CB 4.31Å; M194-Q236 WeakPolarHBondContact CA-O 3.44Å; M194-W237 HydrophobicContact CB-CD2 4.11Å; M194-W237 HydrophobicContact CB-CE3 3.81Å; M194-W237 HydrophobicContact CB-CH2 3.8Å; M194-W237 HydrophobicContact CB-CZ2 4.05Å; M194-W237 HydrophobicContact CB-CZ3 3.68Å; M194-W237 HydrophobicContact CG-CD2 4.18Å; M194-W237 HydrophobicContact CG-CE3 4.38Å; M194-W237 HydrophobicContact CG-CH2 4.09Å; M194-W237 HydrophobicContact CG-CZ2 3.83Å; M194-W237 HydrophobicContact CG-CZ3 4.36Å; M194-W237 HydrophobicContact SD-CH2 3.98Å; M194-W237 HydrophobicContact SD-CZ2 3.61Å
195Q96Very high96.4Very high109 Ų10940.1 Ų40.151%0.50923%0.229SC..THydrogen-bonded Turntrans-61.5133.5176-171.2177.534.400110.6S197 E198 W228 Q236Q195-S197 PolarHBondContact O-N 3.2Å; Q195-E198 WeakPolarHBondContact CA-OE1 3.16Å; Q195-W228 HydrophobicContact CB-CE3 4.17Å; Q195-W228 HydrophobicContact CB-CH2 3.86Å; Q195-W228 HydrophobicContact CB-CZ2 4.4Å; Q195-W228 HydrophobicContact CB-CZ3 3.74Å; Q195-W228 HydrophobicContact CG-CH2 4.46Å; Q195-W228 VanDerWaalsContact N-CZ3 3.31Å; Q195-Q236 HydrophobicContact CB-CB 3.79Å; Q195-Q236 PolarHBondContact N-O 2.84Å; Q195-Q236 VanDerWaalsContact OE1-CG 3.27Å
196G94.5Very high96.2Very high69 Ų6940.1 Ų40.171%0.71123%0.234SC*.THydrogen-bonded Turntrans80.6-2.5-172.900000114.8M194 E198M194-G196 PolarHBondContact O-N 2.84Å; G196-E198 VanDerWaalsContact C-OE2 3.26Å; G196-E198 VanDerWaalsContact CA-OE2 3.24Å; G196-E198 WeakPolarHBondContact CA-OE2 3.39Å; G196-E198 PolarHBondContact N-OE1 2.68Å; G196-E198 PolarHBondContact N-OE2 3.34Å
197S94.7Very high96Very high24 Ų2439.4 Ų39.417%0.16823%0.23CC..EExtended strand (participates in β ladder)trans-135.244.9172.9-171.20000110.5M194 Q195 N199 T200 Y202M194-S197 CarbonylContact O-C 3.57Å; M194-S197 VanDerWaalsContact O-C 3.3Å; M194-S197 PolarHBondContact O-N 3.48Å; Q195-S197 PolarHBondContact O-N 3.2Å; S197-N199 PolarHBondContact O-N 2.81Å; S197-N199 VanDerWaalsContact O-N 3.11Å; S197-T200 PolarHBondContact O-N 3.02Å; S197-T200 VanDerWaalsContact O-N 3.14Å; S197-Y202 PolarHBondContact OG-OH 3.27Å
198E95.8Very high95.6Very high62 Ų6247.3 Ų47.329%0.2926%0.259SS..EExtended strand (participates in β ladder)trans-65.7-14.9-173.2-70.983.4176.700113.9Q193 Q195 G196 T200Q193-E198 HydrophobicContact CG-CB 4.16Å; Q193-E198 HydrophobicContact CG-CG 4.12Å; Q193-E198 VanDerWaalsContact NE2-CA 3.31Å; Q193-E198 VanDerWaalsContact NE2-CB 3.3Å; Q193-E198 PolarHBondContact NE2-O 3.11Å; Q195-E198 WeakPolarHBondContact CA-OE1 3.16Å; G196-E198 VanDerWaalsContact C-OE2 3.26Å; G196-E198 VanDerWaalsContact CA-OE2 3.24Å; G196-E198 WeakPolarHBondContact CA-OE2 3.39Å; G196-E198 PolarHBondContact N-OE1 2.68Å; G196-E198 PolarHBondContact N-OE2 3.34Å; E198-T200 PolarHBondContact O-N 2.63Å
199N97.5Very high95.4Very high75 Ų7545.5 Ų45.540%0.40125%0.25SC..EExtended strand (participates in β ladder)trans-77.62174.670.4-7.2000113.9S197 T213 L214 I219S197-N199 PolarHBondContact O-N 2.81Å; S197-N199 VanDerWaalsContact O-N 3.11Å; N199-T213 CarbonylContact O-C 3.5Å; N199-T213 WeakPolarHBondContact O-CA 3.38Å; N199-L214 PolarHBondContact O-N 2.89Å; N199-I219 HydrophobicContact CB-CD1 4.12Å
200T98Very high95.4Very high14 Ų1446.3 Ų46.39%0.08626%0.257CS..EExtended strand (participates in β ladder)trans-130.3134.8-176.7-560000110.8S197 E198 Y202 A210 A212S197-T200 PolarHBondContact O-N 3.02Å; S197-T200 VanDerWaalsContact O-N 3.14Å; E198-T200 PolarHBondContact O-N 2.63Å; T200-Y202 HydrophobicContact CG2-CD1 4.25Å; T200-Y202 HydrophobicContact CG2-CD2 4.15Å; T200-Y202 HydrophobicContact CG2-CE1 3.77Å; T200-Y202 HydrophobicContact CG2-CE2 3.68Å; T200-Y202 HydrophobicContact CG2-CG 4.44Å; T200-Y202 VanDerWaalsContact CG2-CZ 3.46Å; T200-A210 HydrophobicContact CG2-CB 3.79Å; T200-A212 WeakPolarHBondContact CA-O 3.31Å
201L97.9Very high95.4Very high0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-101.4131.5166.3-68.2179.8000109.8L189 Y192 Q193 L211 A212 L214 L222 A240L189-L201 HydrophobicContact CD2-CD1 3.8Å; L189-L201 HydrophobicContact CG-CD1 3.97Å; Y192-L201 WeakPolarHBondContact O-CA 3.35Å; Q193-L201 HydrophobicContact CB-CD2 4.26Å; L201-L211 PolarHBondContact O-N 3.04Å; L201-A212 PolarHBondContact N-O 2.86Å; L201-A212 PolarHBondContact O-N 2.82Å; L201-L214 HydrophobicContact CD1-CD2 4.19Å; L201-L214 HydrophobicContact CG-CD1 4.18Å; L201-L214 HydrophobicContact CG-CD2 4.31Å; L201-L214 HydrophobicContact CG-CG 4.44Å; L201-L222 HydrophobicContact CD1-CD1 4.15Å; L201-L222 HydrophobicContact CD2-CD1 4.42Å; L201-A240 HydrophobicContact CD2-CB 4.05Å
202Y96.8Very high95.4Very high28 Ų2841 Ų4111%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-110.3156.7179.6-60.3-87000111.3G191 Y192 M194 S197 T200 A204 L209 A210 W237G191-Y202 CarbonylContact C-O 3.56Å; G191-Y202 VanDerWaalsContact CA-O 3.32Å; G191-Y202 WeakPolarHBondContact CA-O 3.37Å; Y192-Y202 PolarHBondContact N-O 3.3Å; Y192-Y202 WeakPolarHBondContact O-CD2 3.38Å; Y192-Y202 PolarHBondContact O-N 3.43Å; M194-Y202 HydrophobicContact CB-CE2 4.24Å; S197-Y202 PolarHBondContact OG-OH 3.27Å; T200-Y202 HydrophobicContact CG2-CD1 4.25Å; T200-Y202 HydrophobicContact CG2-CD2 4.15Å; T200-Y202 HydrophobicContact CG2-CE1 3.77Å; T200-Y202 HydrophobicContact CG2-CE2 3.68Å; T200-Y202 HydrophobicContact CG2-CG 4.44Å; T200-Y202 VanDerWaalsContact CG2-CZ 3.46Å; Y202-A204 PolarHBondContact O-N 3.04Å; Y202-L209 CarbonylContact C-O 3.53Å; Y202-L209 VanDerWaalsContact CA-O 3.25Å; Y202-L209 WeakPolarHBondContact CA-O 3.42Å; Y202-A210 HydrophobicContact CD1-CB 4.38Å; Y202-A210 HydrophobicContact CE1-CB 4.34Å; Y202-W237 AromaticContact CD2-CH2 3.94Å; Y202-W237 HydrophobicContact CD2-CH2 3.94Å; Y202-W237 AromaticContact CD2-CZ3 3.49Å; Y202-W237 HydrophobicContact CD2-CZ3 3.49Å; Y202-W237 VanDerWaalsContact CD2-CZ3 3.49Å; Y202-W237 HydrophobicContact CE2-CH2 4.31Å; Y202-W237 HydrophobicContact CE2-CZ3 4.16Å; Y202-W237 HydrophobicContact CG-CH2 4.15Å; Y202-W237 AromaticContact CG-CZ3 3.88Å; Y202-W237 HydrophobicContact CG-CZ3 3.88Å
203L95.3Very high95.5Very high56 Ų5641 Ų4129%0.29324%0.237SC..EExtended strand (participates in β ladder)trans-59.8-46178.6-177.768.5000112.2Y192 L209 L211 Y313 I318Y192-L203 VanDerWaalsContact CD2-O 3.31Å; Y192-L203 WeakPolarHBondContact CD2-O 3.47Å; L203-L209 HydrophobicContact CB-CB 4.07Å; L203-L209 HydrophobicContact CB-CD1 4.44Å; L203-L209 HydrophobicContact CB-CD2 4.24Å; L203-L209 HydrophobicContact CB-CG 4.47Å; L203-L209 HydrophobicContact CD2-CD1 3.88Å; L203-L209 PolarHBondContact N-O 3.16Å; L203-L211 HydrophobicContact CB-CD2 4.11Å; L203-L211 HydrophobicContact CB-CG 4.42Å; L203-L211 HydrophobicContact CD1-CD2 4.1Å; L203-Y313 HydrophobicContact CD1-CE1 4.21Å; L203-Y313 HydrophobicContact CD2-CD1 4.24Å; L203-Y313 HydrophobicContact CD2-CE1 3.92Å; L203-I318 HydrophobicContact CD2-CD1 4.05Å
204A93.8Very high95.6Very high24 Ų2441.4 Ų41.420%0.19824%0.239CC..EExtended strand (participates in β ladder)trans-147.8159.6-178.400000111.5Y192 Y202 G206 Q207Y192-A204 VanDerWaalsContact CD2-CA 3.47Å; Y202-A204 PolarHBondContact O-N 3.04Å; A204-G206 PolarHBondContact O-N 2.83Å; A204-Q207 HydrophobicContact CB-CB 4.2Å; A204-Q207 HydrophobicContact CB-CG 4.18Å; A204-Q207 PolarHBondContact O-N 2.81Å; A204-Q207 VanDerWaalsContact O-N 3.15Å
205A92.6Very high95.7Very high47 Ų4741.2 Ų41.239%0.38824%0.241SC..THydrogen-bonded Turntrans-58.7136.5172.400000111Y192 Q207 W237Y192-A205 HydrophobicContact CD1-CB 4.07Å; Y192-A205 HydrophobicContact CE1-CB 4.38Å; A205-Q207 PolarHBondContact O-N 2.91Å; A205-W237 HydrophobicContact CB-CB 3.85Å; A205-W237 HydrophobicContact CB-CD2 3.96Å; A205-W237 HydrophobicContact CB-CE3 4.4Å; A205-W237 HydrophobicContact CB-CG 3.69Å
206G91.6Very high95.8Very high27 Ų2742.6 Ų42.628%0.27825%0.248SC..THydrogen-bonded Turntrans74.4-8.2-177.100000115.1A204 W237 N284A204-G206 PolarHBondContact O-N 2.83Å; G206-W237 VanDerWaalsContact N-CE2 3.25Å; G206-N284 PolarHBondContact O-ND2 3.43Å
207Q91.8Very high95.9Very high32 Ų3244.1 Ų44.115%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-105.8113-178.7-65.7-173.4-8.400111.2A204 A205 L209 V283 D317A204-Q207 HydrophobicContact CB-CB 4.2Å; A204-Q207 HydrophobicContact CB-CG 4.18Å; A204-Q207 PolarHBondContact O-N 2.81Å; A204-Q207 VanDerWaalsContact O-N 3.15Å; A205-Q207 PolarHBondContact O-N 2.91Å; Q207-L209 PolarHBondContact O-N 2.85Å; Q207-V283 HydrophobicContact CB-CG1 4.15Å; Q207-D317 PolarHBondContact NE2-O 2.67Å; Q207-D317 VanDerWaalsContact NE2-O 3.13Å
208R90.3Very high96.1Very high166 Ų16643 Ų4363%0.62623%0.229SC*.EExtended strand (participates in β ladder)trans-78.345.3178.4-61.6-176.3177-178.5-0.9112.4N284 Q312R208-N284 WeakPolarHBondContact CB-OD1 3.42Å; R208-N284 PolarHBondContact N-OD1 2.83Å; R208-Q312 PolarHBondContact O-NE2 3.28Å
209L95.5Very high96.2Very high0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-96.294.4165.8-163.4169000107.1Y202 L203 Q207 L211 V283 Q312 Y313Y202-L209 CarbonylContact C-O 3.53Å; Y202-L209 VanDerWaalsContact CA-O 3.25Å; Y202-L209 WeakPolarHBondContact CA-O 3.42Å; L203-L209 HydrophobicContact CB-CB 4.07Å; L203-L209 HydrophobicContact CB-CD1 4.44Å; L203-L209 HydrophobicContact CB-CD2 4.24Å; L203-L209 HydrophobicContact CB-CG 4.47Å; L203-L209 HydrophobicContact CD2-CD1 3.88Å; L203-L209 PolarHBondContact N-O 3.16Å; Q207-L209 PolarHBondContact O-N 2.85Å; L209-L211 HydrophobicContact CD2-CD2 3.88Å; L209-L211 PolarHBondContact O-N 3.35Å; L209-V283 HydrophobicContact CB-CG1 3.82Å; L209-Q312 HydrophobicContact CD1-CB 3.68Å; L209-Q312 HydrophobicContact CG-CB 3.98Å; L209-Y313 HydrophobicContact CD1-CD1 4.01Å; L209-Y313 HydrophobicContact CD1-CD2 4.02Å; L209-Y313 HydrophobicContact CD1-CE1 4Å; L209-Y313 HydrophobicContact CD1-CE2 4Å; L209-Y313 HydrophobicContact CD1-CG 4.01Å; L209-Y313 HydrophobicContact CD2-CE2 3.99Å
210A96.7Very high96.1Very high17 Ų1747 Ų4714%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-70.5123.4177.500000109.7N170 T200 Y202N170-A210 PolarHBondContact ND2-O 3.37Å; T200-A210 HydrophobicContact CG2-CB 3.79Å; Y202-A210 HydrophobicContact CD1-CB 4.38Å; Y202-A210 HydrophobicContact CE1-CB 4.34Å
211L97.8Very high96.1Very high5 Ų548.6 Ų48.63%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-84.3-42.2173-59.7179.6000110.7N170 T173 L189 Q190 L201 L203 L209 Y313N170-L211 PolarHBondContact N-O 3Å; T173-L211 HydrophobicContact CG2-CB 3.9Å; T173-L211 HydrophobicContact CG2-CD2 4.13Å; T173-L211 HydrophobicContact CG2-CG 4.44Å; T173-L211 PolarHBondContact OG1-O 3.42Å; T173-L211 VanDerWaalsContact OG1-O 3.1Å; L189-L211 HydrophobicContact CD1-CB 4.16Å; L189-L211 HydrophobicContact CD1-CD1 4.28Å; Q190-L211 WeakPolarHBondContact O-CD1 3.23Å; L201-L211 PolarHBondContact O-N 3.04Å; L203-L211 HydrophobicContact CB-CD2 4.11Å; L203-L211 HydrophobicContact CB-CG 4.42Å; L203-L211 HydrophobicContact CD1-CD2 4.1Å; L209-L211 HydrophobicContact CD2-CD2 3.88Å; L209-L211 PolarHBondContact O-N 3.35Å; L211-Y313 VanDerWaalsContact CD2-OH 3.32Å; L211-Y313 WeakPolarHBondContact CD2-OH 3.39Å
212A98.2Very high96Very high0 Ų049.6 Ų49.60%026%0.264CS..EExtended strand (participates in β ladder)trans-155.1155.1-178.500000112.6A167 T168 V169 L189 T200 L201A167-A212 HydrophobicContact CB-CB 4.37Å; T168-A212 CarbonylContact O-C 3.49Å; T168-A212 WeakPolarHBondContact O-CA 3.16Å; T168-A212 VanDerWaalsContact O-CB 3.24Å; T168-A212 WeakPolarHBondContact O-CB 3.35Å; V169-A212 HydrophobicContact CG2-CB 4.2Å; L189-A212 HydrophobicContact CD2-CB 3.47Å; L189-A212 VanDerWaalsContact CD2-CB 3.47Å; T200-A212 WeakPolarHBondContact CA-O 3.31Å; L201-A212 PolarHBondContact N-O 2.86Å; L201-A212 PolarHBondContact O-N 2.82Å
213T98.3Very high96.1Very high67 Ų6752.1 Ų52.141%0.41128%0.282SS..EExtended strand (participates in β ladder)trans-105.9126.1165.4-57.10000109A167 T168 N199A167-T213 CarbonylContact C-O 3.3Å; A167-T213 VanDerWaalsContact CA-O 3.26Å; A167-T213 WeakPolarHBondContact CA-O 3.34Å; T168-T213 PolarHBondContact N-O 3.34Å; T168-T213 PolarHBondContact O-N 3.37Å; N199-T213 CarbonylContact O-C 3.5Å; N199-T213 WeakPolarHBondContact O-CA 3.38Å
214L98.5Very high96.2Very high10 Ų1052.5 Ų52.55%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-90.7140.9-177.4-51.8-177.2000110.8A167 N199 L201 I219 L222 L242A167-L214 HydrophobicContact CB-CD2 3.77Å; N199-L214 PolarHBondContact O-N 2.89Å; L201-L214 HydrophobicContact CD1-CD2 4.19Å; L201-L214 HydrophobicContact CG-CD1 4.18Å; L201-L214 HydrophobicContact CG-CD2 4.31Å; L201-L214 HydrophobicContact CG-CG 4.44Å; L214-I219 HydrophobicContact CB-CG1 3.87Å; L214-I219 HydrophobicContact CD1-CG1 4.12Å; L214-L222 HydrophobicContact CD1-CD1 4.03Å; L214-L222 HydrophobicContact CD1-CD2 4.26Å; L214-L242 HydrophobicContact CD2-CD2 3.92Å
215S98.1Very high96.1Very high33 Ų3354.6 Ų54.623%0.23130%0.295CS..  trans-75.5173.5163.865.50000110.9E165 L166 E217 G218 I219E165-S215 VanDerWaalsContact O-CB 3.29Å; E165-S215 WeakPolarHBondContact O-CB 3.14Å; E165-S215 PolarHBondContact O-OG 3.46Å; L166-S215 WeakPolarHBondContact CA-OG 3.41Å; L166-S215 PolarHBondContact O-N 3.39Å; L166-S215 PolarHBondContact O-OG 2.83Å; L166-S215 VanDerWaalsContact O-OG 3.11Å; S215-E217 VanDerWaalsContact C-N 3.25Å; S215-E217 PolarHBondContact O-N 3.17Å; S215-G218 PolarHBondContact O-N 3.45Å; S215-G218 VanDerWaalsContact O-N 3.17Å; S215-G218 PolarHBondContact OG-N 3.09Å; S215-I219 WeakPolarHBondContact O-CG1 3.1Å; S215-I219 PolarHBondContact O-N 3.44Å
216E97.7Very high96Very high139 Ų13954.2 Ų54.265%0.6530%0.295SS*.Hα-helixtrans-60.3-38.4173.1-65.9-171.8-175.100111.9I219 K220E216-I219 PolarHBondContact O-N 3.22Å; E216-K220 WeakPolarHBondContact O-CG 3.39Å; E216-K220 PolarHBondContact O-N 2.76Å; E216-K220 VanDerWaalsContact O-N 3.14Å
217E97.8Very high96.1Very high101 Ų10160.9 Ų60.947%0.47232%0.319SS..Hα-helixtrans-65.6-41.2174.5-6961.4-134.700110.8L166 S215 K220 A221L166-E217 HydrophobicContact CD2-CB 3.95Å; S215-E217 VanDerWaalsContact C-N 3.25Å; S215-E217 PolarHBondContact O-N 3.17Å; E217-K220 PolarHBondContact O-N 3.12Å; E217-A221 WeakPolarHBondContact O-CB 3.47Å; E217-A221 PolarHBondContact O-N 3.26Å
218G97.9Very high96.3Very high0 Ų063.1 Ų63.10%033%0.327CS..Hα-helixtrans-61.4-42174.700000113L166 S215 K220 A221 L222L166-G218 WeakPolarHBondContact O-CA 3.24Å; S215-G218 PolarHBondContact O-N 3.45Å; S215-G218 VanDerWaalsContact O-N 3.17Å; S215-G218 PolarHBondContact OG-N 3.09Å; G218-K220 VanDerWaalsContact C-N 3.33Å; G218-K220 PolarHBondContact O-N 3.5Å; G218-A221 PolarHBondContact O-N 3.26Å; G218-L222 PolarHBondContact O-N 2.64Å; G218-L222 VanDerWaalsContact O-N 3.11Å
219I97.3Very high96.6Very high65 Ų6562 Ų6233%0.33333%0.328SS..Hα-helixtrans-62.3-41.5175.5-65.9167.2000110.7N199 L214 S215 E216 A221 L222N199-I219 HydrophobicContact CB-CD1 4.12Å; L214-I219 HydrophobicContact CB-CG1 3.87Å; L214-I219 HydrophobicContact CD1-CG1 4.12Å; S215-I219 WeakPolarHBondContact O-CG1 3.1Å; S215-I219 PolarHBondContact O-N 3.44Å; E216-I219 PolarHBondContact O-N 3.22Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-L222 VanDerWaalsContact O-CB 3.28Å; I219-L222 WeakPolarHBondContact O-CB 3.27Å; I219-L222 PolarHBondContact O-N 3.24Å
220K96.5Very high96.6Very high155 Ų15565 Ų6567%0.67435%0.354SS*.Hα-helixtrans-69-32177.7-68.1164.1-168.2156.90112.6E216 E217 G218 L222E216-K220 WeakPolarHBondContact O-CG 3.39Å; E216-K220 PolarHBondContact O-N 2.76Å; E216-K220 VanDerWaalsContact O-N 3.14Å; E217-K220 PolarHBondContact O-N 3.12Å; G218-K220 VanDerWaalsContact C-N 3.33Å; G218-K220 PolarHBondContact O-N 3.5Å; K220-L222 VanDerWaalsContact C-N 3.3Å
221A97.3Very high96.3Very high49 Ų4965.7 Ų65.741%0.40536%0.355SS..THydrogen-bonded Turntrans-83.9-3.7179.200000113.7L166 E217 G218 I219 L242L166-A221 HydrophobicContact CD1-CB 4.47Å; L166-A221 HydrophobicContact CD2-CB 4.26Å; E217-A221 WeakPolarHBondContact O-CB 3.47Å; E217-A221 PolarHBondContact O-N 3.26Å; G218-A221 PolarHBondContact O-N 3.26Å; I219-A221 VanDerWaalsContact C-N 3.34Å; A221-L242 HydrophobicContact CB-CD1 3.95Å
222L97Very high95.9Very high20 Ų2074 Ų7411%0.10539%0.394CS..PPolyproline II helixtrans-71.2128.9-174.9-164.173.3000111.5L201 L214 G218 I219 K220 A240 S241 L242L201-L222 HydrophobicContact CD1-CD1 4.15Å; L201-L222 HydrophobicContact CD2-CD1 4.42Å; L214-L222 HydrophobicContact CD1-CD1 4.03Å; L214-L222 HydrophobicContact CD1-CD2 4.26Å; G218-L222 PolarHBondContact O-N 2.64Å; G218-L222 VanDerWaalsContact O-N 3.11Å; I219-L222 VanDerWaalsContact O-CB 3.28Å; I219-L222 WeakPolarHBondContact O-CB 3.27Å; I219-L222 PolarHBondContact O-N 3.24Å; K220-L222 VanDerWaalsContact C-N 3.3Å; L222-A240 HydrophobicContact CD1-CB 4Å; L222-A240 HydrophobicContact CD2-CB 3.55Å; L222-A240 HydrophobicContact CG-CB 3.76Å; L222-S241 WeakPolarHBondContact CD1-O 3.45Å; L222-L242 HydrophobicContact CD1-CB 4.06Å
223T98.1Very high95.5Very high81 Ų8183 Ų8350%0.49743%0.429SS..EExtended strand (participates in β ladder)trans-85.6119.9168.2-54.20000109N225 A240 S241T223-N225 WeakPolarHBondContact CG2-OD1 3.45Å; T223-A240 CarbonylContact O-C 3.52Å; T223-A240 VanDerWaalsContact O-CA 3.27Å; T223-A240 WeakPolarHBondContact O-CA 3.18Å; T223-S241 PolarHBondContact N-O 3Å; T223-S241 PolarHBondContact O-N 2.66Å
224V96.7Very high95.2Very high64 Ų6482 Ų8239%0.38843%0.432SS..EExtended strand (participates in β ladder)trans-88120.7176.9177.30000109.4G226V224-G226 WeakPolarHBondContact CG1-O 3.49Å
225N92.1Very high95.1Very high68 Ų6884.8 Ų84.836%0.36445%0.447SS..  trans-110.936.9-172-60.2-39.3000112.3T223 Q239 S241T223-N225 WeakPolarHBondContact CG2-OD1 3.45Å; N225-Q239 HydrophobicContact CB-CB 4.16Å; N225-Q239 PolarHBondContact N-O 3.09Å; N225-S241 WeakPolarHBondContact ND2-CB 3.26Å; N225-S241 PolarHBondContact ND2-OG 3.45Å
226G89.9Confident95Very high39 Ų3985.9 Ų85.940%0.40245%0.449SS..SBendtrans163.9169.8179.800000113.5V224V224-G226 WeakPolarHBondContact CG1-O 3.49Å
227E94.1Very high95Very high167 Ų16779.9 Ų79.978%0.7842%0.42SS*.  trans-83.9163.9173.2-63.1-173.5168.200111.2
228W97.1Very high95Very high80 Ų8077.6 Ų77.630%0.30341%0.407SS..  trans-67.4132.8171.4-67.3108.1000110.6Q193 Q195 Q236 W237 R238Q193-W228 WeakPolarHBondContact O-CZ3 3.46Å; Q195-W228 HydrophobicContact CB-CE3 4.17Å; Q195-W228 HydrophobicContact CB-CH2 3.86Å; Q195-W228 HydrophobicContact CB-CZ2 4.4Å; Q195-W228 HydrophobicContact CB-CZ3 3.74Å; Q195-W228 HydrophobicContact CG-CH2 4.46Å; Q195-W228 VanDerWaalsContact N-CZ3 3.31Å; W228-Q236 HydrophobicContact CB-CB 4.36Å; W228-Q236 HydrophobicContact CD2-CB 4.4Å; W228-Q236 HydrophobicContact CE3-CB 3.87Å; W228-Q236 WeakPolarHBondContact CZ3-O 3.47Å; W228-W237 CarbonylContact C-O 3.6Å; W228-W237 WeakPolarHBondContact CA-O 3.37Å; W228-R238 HydrophobicContact CD2-CB 4.2Å; W228-R238 HydrophobicContact CD2-CG 4.19Å; W228-R238 HydrophobicContact CE3-CB 3.93Å; W228-R238 HydrophobicContact CE3-CG 3.89Å; W228-R238 HydrophobicContact CH2-CG 3.91Å; W228-R238 HydrophobicContact CZ2-CG 4.2Å; W228-R238 VanDerWaalsContact CZ2-CZ 3.49Å; W228-R238 VanDerWaalsContact CZ2-NE 3.3Å; W228-R238 HydrophobicContact CZ3-CB 4.25Å; W228-R238 HydrophobicContact CZ3-CG 3.73Å
229Q96Very high95Very high141 Ų14181.9 Ų81.966%0.65943%0.427SS*.EExtended strand (participates in β ladder)trans-132.5137.3177.5-64.3-175.5-11.200110.4Q236 W237Q229-Q236 WeakPolarHBondContact O-CA 3.44Å; Q229-W237 PolarHBondContact N-O 2.57Å; Q229-W237 PolarHBondContact O-N 3.12Å
230A95Very high95Very high65 Ų6578.9 Ų78.954%0.53741%0.412SS..EExtended strand (participates in β ladder)trans-74.6136.817800000111.3N235 Q236A230-N235 CarbonylContact C-O 3.53Å; A230-N235 WeakPolarHBondContact CA-O 3.17Å; A230-Q236 VanDerWaalsContact CB-NE2 3.31Å
231D91.5Very high95.1Very high31 Ų3172 Ų7217%0.16638%0.383CS..  trans-80.3179.3160.269.717.7000111.6Y233 G234 N235 W237D231-Y233 PolarHBondContact O-N 3.32Å; D231-Y233 VanDerWaalsContact O-N 3.11Å; D231-Y233 VanDerWaalsContact OD1-C 3.32Å; D231-Y233 WeakPolarHBondContact OD1-CA 3.48Å; D231-Y233 WeakPolarHBondContact OD1-CB 3.07Å; D231-Y233 PolarHBondContact OD1-N 3.27Å; D231-G234 PolarHBondContact O-N 3.41Å; D231-G234 PolarHBondContact OD1-N 3.32Å; D231-N235 PolarHBondContact N-O 2.68Å; D231-N235 PolarHBondContact OD1-N 3.44Å; D231-N235 PolarHBondContact OD1-ND2 2.75Å; D231-N235 WeakPolarHBondContact OD2-CB 3.46Å; D231-N235 PolarHBondContact OD2-ND2 3.19Å; D231-W237 PolarHBondContact OD2-NE1 3.46Å
232E88.8Confident95.1Very high180 Ų18069.7 Ų69.784%0.84136%0.364SS*.THydrogen-bonded Turntrans-56.9-24.9178.4-172.8179.3170.400113.4
233Y89.5Confident95.1Very high187 Ų18773.9 Ų73.973%0.73338%0.383SS*.THydrogen-bonded Turntrans-96.63.4-179.8-56-70.3000112.9D231 N235D231-Y233 PolarHBondContact O-N 3.32Å; D231-Y233 VanDerWaalsContact O-N 3.11Å; D231-Y233 VanDerWaalsContact OD1-C 3.32Å; D231-Y233 WeakPolarHBondContact OD1-CA 3.48Å; D231-Y233 WeakPolarHBondContact OD1-CB 3.07Å; D231-Y233 PolarHBondContact OD1-N 3.27Å; Y233-N235 VanDerWaalsContact C-N 3.33Å
234G92.7Very high95.1Very high46 Ų4670.7 Ų70.747%0.47437%0.366SS..SBendtrans82.52.3179.600000114.9D231 Q236D231-G234 PolarHBondContact O-N 3.41Å; D231-G234 PolarHBondContact OD1-N 3.32Å; G234-Q236 PolarHBondContact O-NE2 2.9Å
235N95.4Very high95.2Very high70 Ų7069 Ų6937%0.37436%0.359SS..  trans-70.2137.4175.6-49-67.9000109.2M194 A230 D231 Y233M194-N235 HydrophobicContact CG-CB 4.41Å; M194-N235 HydrophobicContact SD-CB 4.31Å; A230-N235 CarbonylContact C-O 3.53Å; A230-N235 WeakPolarHBondContact CA-O 3.17Å; D231-N235 PolarHBondContact N-O 2.68Å; D231-N235 PolarHBondContact OD1-N 3.44Å; D231-N235 PolarHBondContact OD1-ND2 2.75Å; D231-N235 WeakPolarHBondContact OD2-CB 3.46Å; D231-N235 PolarHBondContact OD2-ND2 3.19Å; Y233-N235 VanDerWaalsContact C-N 3.33Å
236Q97.6Very high95.4Very high56 Ų5665.9 Ų65.926%0.26234%0.342SS..EExtended strand (participates in β ladder)trans-90129.3-179.3-60.5-59.8-55.800110.7M194 Q195 W228 Q229 A230 G234M194-Q236 WeakPolarHBondContact CA-O 3.44Å; Q195-Q236 HydrophobicContact CB-CB 3.79Å; Q195-Q236 PolarHBondContact N-O 2.84Å; Q195-Q236 VanDerWaalsContact OE1-CG 3.27Å; W228-Q236 HydrophobicContact CB-CB 4.36Å; W228-Q236 HydrophobicContact CD2-CB 4.4Å; W228-Q236 HydrophobicContact CE3-CB 3.87Å; W228-Q236 WeakPolarHBondContact CZ3-O 3.47Å; Q229-Q236 WeakPolarHBondContact O-CA 3.44Å; A230-Q236 VanDerWaalsContact CB-NE2 3.31Å; G234-Q236 PolarHBondContact O-NE2 2.9Å
237W97.1Very high95.5Very high12 Ų1266.6 Ų66.65%0.04534%0.339CS..EExtended strand (participates in β ladder)trans-126.2147.4-178.8-6490.7000111.5Q193 M194 Y202 A205 G206 W228 Q229 D231Q193-W237 WeakPolarHBondContact O-CA 3.38Å; M194-W237 HydrophobicContact CB-CD2 4.11Å; M194-W237 HydrophobicContact CB-CE3 3.81Å; M194-W237 HydrophobicContact CB-CH2 3.8Å; M194-W237 HydrophobicContact CB-CZ2 4.05Å; M194-W237 HydrophobicContact CB-CZ3 3.68Å; M194-W237 HydrophobicContact CG-CD2 4.18Å; M194-W237 HydrophobicContact CG-CE3 4.38Å; M194-W237 HydrophobicContact CG-CH2 4.09Å; M194-W237 HydrophobicContact CG-CZ2 3.83Å; M194-W237 HydrophobicContact CG-CZ3 4.36Å; M194-W237 HydrophobicContact SD-CH2 3.98Å; M194-W237 HydrophobicContact SD-CZ2 3.61Å; Y202-W237 AromaticContact CD2-CH2 3.94Å; Y202-W237 HydrophobicContact CD2-CH2 3.94Å; Y202-W237 AromaticContact CD2-CZ3 3.49Å; Y202-W237 HydrophobicContact CD2-CZ3 3.49Å; Y202-W237 VanDerWaalsContact CD2-CZ3 3.49Å; Y202-W237 HydrophobicContact CE2-CH2 4.31Å; Y202-W237 HydrophobicContact CE2-CZ3 4.16Å; Y202-W237 HydrophobicContact CG-CH2 4.15Å; Y202-W237 AromaticContact CG-CZ3 3.88Å; Y202-W237 HydrophobicContact CG-CZ3 3.88Å; A205-W237 HydrophobicContact CB-CB 3.85Å; A205-W237 HydrophobicContact CB-CD2 3.96Å; A205-W237 HydrophobicContact CB-CE3 4.4Å; A205-W237 HydrophobicContact CB-CG 3.69Å; G206-W237 VanDerWaalsContact N-CE2 3.25Å; W228-W237 CarbonylContact C-O 3.6Å; W228-W237 WeakPolarHBondContact CA-O 3.37Å; Q229-W237 PolarHBondContact N-O 2.57Å; Q229-W237 PolarHBondContact O-N 3.12Å; D231-W237 PolarHBondContact OD2-NE1 3.46Å
238R97.1Very high95.4Very high54 Ų5460.8 Ų60.820%0.20431%0.313CS..EExtended strand (participates in β ladder)trans-141.9153.117067.4-177179.8177.3-1.7111Y192 Q193 W228Y192-R238 CarbonylContact C-O 3.35Å; Y192-R238 VanDerWaalsContact CA-O 3.32Å; Y192-R238 WeakPolarHBondContact CA-O 3.46Å; Q193-R238 HydrophobicContact CB-CG 4.22Å; Q193-R238 PolarHBondContact N-O 3.14Å; Q193-R238 PolarHBondContact O-N 3.4Å; W228-R238 HydrophobicContact CD2-CB 4.2Å; W228-R238 HydrophobicContact CD2-CG 4.19Å; W228-R238 HydrophobicContact CE3-CB 3.93Å; W228-R238 HydrophobicContact CE3-CG 3.89Å; W228-R238 HydrophobicContact CH2-CG 3.91Å; W228-R238 HydrophobicContact CZ2-CG 4.2Å; W228-R238 VanDerWaalsContact CZ2-CZ 3.49Å; W228-R238 VanDerWaalsContact CZ2-NE 3.3Å; W228-R238 HydrophobicContact CZ3-CB 4.25Å; W228-R238 HydrophobicContact CZ3-CG 3.73Å
239Q97.4Very high95.2Very high90 Ų9060.3 Ų60.342%0.42132%0.32SS..EExtended strand (participates in β ladder)trans-77.1140.7172.3-70.2179.7-48.100110.5Y192 N225Y192-Q239 HydrophobicContact CD1-CG 3.88Å; Y192-Q239 HydrophobicContact CE1-CG 3.39Å; Y192-Q239 HydrophobicContact CE2-CG 4.36Å; Y192-Q239 PolarHBondContact OH-NE2 2.98Å; N225-Q239 HydrophobicContact CB-CB 4.16Å; N225-Q239 PolarHBondContact N-O 3.09Å
240A97.8Very high95.1Very high1 Ų153.9 Ų53.91%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-149.7158.9177.300000111.2G191 L201 L222 T223G191-A240 PolarHBondContact N-O 3.4Å; G191-A240 PolarHBondContact O-N 3.01Å; G191-A240 VanDerWaalsContact O-O 3.04Å; L201-A240 HydrophobicContact CD2-CB 4.05Å; L222-A240 HydrophobicContact CD1-CB 4Å; L222-A240 HydrophobicContact CD2-CB 3.55Å; L222-A240 HydrophobicContact CG-CB 3.76Å; T223-A240 CarbonylContact O-C 3.52Å; T223-A240 VanDerWaalsContact O-CA 3.27Å; T223-A240 WeakPolarHBondContact O-CA 3.18Å
241S98.1Very high95.1Very high10 Ų1050.9 Ų50.97%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-142.4148.5178.159.40000112.1L189 L222 T223 N225L189-S241 CarbonylContact O-C 3.53Å; L189-S241 WeakPolarHBondContact O-CA 3.36Å; L189-S241 WeakPolarHBondContact O-CB 3.35Å; L222-S241 WeakPolarHBondContact CD1-O 3.45Å; T223-S241 PolarHBondContact N-O 3Å; T223-S241 PolarHBondContact O-N 2.66Å; N225-S241 WeakPolarHBondContact ND2-CB 3.26Å; N225-S241 PolarHBondContact ND2-OG 3.45Å
242L98.4Very high95.2Very high1 Ų152.6 Ų52.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-126.7136.1177.1-176.971.1000109.2L166 A167 L189 L214 A221 L222L166-L242 HydrophobicContact CB-CD1 4.34Å; L166-L242 HydrophobicContact CB-CD2 3.83Å; L166-L242 HydrophobicContact CD1-CD1 4.12Å; A167-L242 HydrophobicContact CB-CD2 3.64Å; L189-L242 PolarHBondContact N-O 2.99Å; L189-L242 PolarHBondContact O-N 3.17Å; L214-L242 HydrophobicContact CD2-CD2 3.92Å; A221-L242 HydrophobicContact CB-CD1 3.95Å; L222-L242 HydrophobicContact CD1-CB 4.06Å
243Q98Very high95.4Very high109 Ų10948.4 Ų48.451%0.50927%0.268SS..EExtended strand (participates in β ladder)trans-116.5138.7174.8-173.1-179.18.200110.2V178 I186 V187V178-Q243 HydrophobicContact CG2-CG 3.96Å; I186-Q243 HydrophobicContact CG2-CG 3.44Å; I186-Q243 VanDerWaalsContact CG2-CG 3.44Å; V187-Q243 VanDerWaalsContact O-CA 3.27Å; V187-Q243 WeakPolarHBondContact O-CA 3.18Å; V187-Q243 WeakPolarHBondContact O-CG 3.47Å
244G97.7Very high95.6Very high13 Ų1340.5 Ų40.513%0.13424%0.237CC..EExtended strand (participates in β ladder)trans-179.2177.5173.400000113.1I163 I186 V187 L246I163-G244 VanDerWaalsContact CG2-CA 3.4Å; I186-G244 WeakPolarHBondContact CA-O 3.39Å; V187-G244 WeakPolarHBondContact CG2-O 3.45Å; V187-G244 PolarHBondContact N-O 2.97Å; V187-G244 PolarHBondContact O-N 3.25Å; V187-G244 VanDerWaalsContact O-N 3.11Å; G244-L246 PolarHBondContact O-N 3.08Å
245A97.2Very high95.6Very high29 Ų2944.4 Ų44.424%0.2424%0.241CC..EExtended strand (participates in β ladder)trans-73.9124.9179.500000111I163 G164 Q184 I186I163-A245 CarbonylContact C-O 3.54Å; I163-A245 VanDerWaalsContact CA-O 3.31Å; I163-A245 WeakPolarHBondContact CA-O 3.42Å; G164-A245 PolarHBondContact N-O 3.38Å; Q184-A245 HydrophobicContact CB-CB 4.39Å; I186-A245 HydrophobicContact CD1-CB 3.78Å
246L97.2Very high95.4Very high2 Ų242 Ų421%0.0123%0.229CC..BIsolated β-bridgetrans-77123.1171.4-176.168.1000109.4I155 L175 Q184 P185 V187 G244 D248 A250I155-L246 HydrophobicContact CD1-CD2 3.7Å; L175-L246 HydrophobicContact CD1-CD1 3.95Å; L175-L246 HydrophobicContact CD1-CD2 4.2Å; Q184-L246 WeakPolarHBondContact CB-O 3.49Å; Q184-L246 WeakPolarHBondContact CG-O 3.35Å; P185-L246 HydrophobicContact CG-CB 4.37Å; P185-L246 PolarHBondContact O-N 3.01Å; V187-L246 HydrophobicContact CG1-CB 3.94Å; V187-L246 HydrophobicContact CG1-CD2 4.33Å; V187-L246 HydrophobicContact CG2-CB 3.98Å; G244-L246 PolarHBondContact O-N 3.08Å; L246-D248 WeakPolarHBondContact CD2-O 3.29Å; L246-D248 WeakPolarHBondContact CG-O 3.31Å; L246-A250 HydrophobicContact CD2-CB 3.97Å
247T92.7Very high95.3Very high55 Ų5539.3 Ų39.334%0.33722%0.216SC..  trans-80.2-29.9-174.950.50000113.7R162R162-T247 HydrophobicContact CB-CG2 4.44Å; R162-T247 WeakPolarHBondContact CB-OG1 3.28Å; R162-T247 PolarHBondContact N-OG1 2.73Å; R162-T247 PolarHBondContact O-N 3.05Å; R162-T247 PolarHBondContact O-OG1 2.59Å
248D92.2Very high95.1Very high44 Ų4439.4 Ų39.424%0.23522%0.217CC..SBendtrans-109.8152.1-169.9-62.5-83.1000111.7S161 R162 L246S161-D248 WeakPolarHBondContact CA-OD2 3.28Å; S161-D248 WeakPolarHBondContact OG-CB 3.05Å; R162-D248 PolarHBondContact N-OD2 3.3Å; L246-D248 WeakPolarHBondContact CD2-O 3.29Å; L246-D248 WeakPolarHBondContact CG-O 3.31Å
249P91.7Very high94.9Very high70 Ų7041.6 Ų41.646%0.45523%0.229SC..  trans-57.3152.9170.1-23.934.7000112.5T145 F158T145-P249 HydrophobicContact CG2-CB 3.67Å; F158-P249 HydrophobicContact CE1-CB 4.2Å; F158-P249 VanDerWaalsContact CE1-O 3.29Å; F158-P249 WeakPolarHBondContact CE1-O 3.36Å
250A94.8Very high94.6Very high7 Ų738 Ų386%0.05821%0.212CC..  trans-139.9157.3178.500000110.7A146 I155 Y156 L246A146-A250 PolarHBondContact N-O 2.93Å; I155-A250 HydrophobicContact CB-CB 3.94Å; I155-A250 HydrophobicContact CD1-CB 4.08Å; I155-A250 HydrophobicContact CG1-CB 4.19Å; Y156-A250 WeakPolarHBondContact O-CA 3.42Å; Y156-A250 WeakPolarHBondContact O-CB 3.39Å; L246-A250 HydrophobicContact CD2-CB 3.97Å
251L95.2Very high94.4Very high2 Ų238 Ų381%0.0121%0.212CC..BIsolated β-bridgetrans-80149.7175.7-58.1172.6000110.3L141 Q144 I155 Y156 F158 D253 P256 L257L141-L251 HydrophobicContact CD2-CD1 4.26Å; L141-L251 WeakPolarHBondContact O-CD2 3.33Å; Q144-L251 HydrophobicContact CB-CD2 3.99Å; I155-L251 CarbonylContact C-O 3.47Å; I155-L251 VanDerWaalsContact CA-O 3.23Å; I155-L251 WeakPolarHBondContact CA-O 3.23Å; Y156-L251 PolarHBondContact N-O 3.03Å; Y156-L251 PolarHBondContact O-N 3.15Å; F158-L251 HydrophobicContact CB-CD1 3.86Å; F158-L251 HydrophobicContact CB-CG 4.08Å; F158-L251 HydrophobicContact CD1-CD2 4.4Å; F158-L251 HydrophobicContact CD1-CG 4.13Å; F158-L251 HydrophobicContact CG-CG 4.46Å; L251-D253 VanDerWaalsContact C-N 3.31Å; L251-D253 VanDerWaalsContact CB-O 3.23Å; L251-D253 WeakPolarHBondContact CB-O 3.27Å; L251-P256 HydrophobicContact CD1-CB 4.47Å; L251-L257 HydrophobicContact CD1-CB 3.86Å
252A93.8Very high94.1Very high67 Ų6741.6 Ų41.655%0.55423%0.228SC*.SBendtrans-81-11.9171.500000113.3A146A146-A252 HydrophobicContact CB-CB 4.2Å
253D92.3Very high93.6Very high92 Ų9245 Ų4549%0.49224%0.243SC..  trans-144.7147.4-179.3-163.5-42.7000108.9L251 K255 P256L251-D253 VanDerWaalsContact C-N 3.31Å; L251-D253 VanDerWaalsContact CB-O 3.23Å; L251-D253 WeakPolarHBondContact CB-O 3.27Å; D253-K255 VanDerWaalsContact OD1-CB 3.27Å; D253-K255 WeakPolarHBondContact OD1-CB 3.08Å; D253-K255 PolarHBondContact OD1-N 3.4Å; D253-P256 WeakPolarHBondContact O-CD 3.34Å
254R92.8Very high93.3Very high20 Ų2039.9 Ų39.98%0.07522%0.218CC..SBendtrans-79.5-20.9173.9-70.2-178.6-117.4-177-2.4112.6Y156 L257 W258 Q322Y156-R254 HydrophobicContact CD1-CG 3.29Å; Y156-R254 HydrophobicContact CD2-CG 3.75Å; Y156-R254 HydrophobicContact CE1-CG 3.61Å; Y156-R254 HydrophobicContact CE2-CG 4.02Å; Y156-R254 HydrophobicContact CG-CG 3.34Å; R254-L257 WeakPolarHBondContact O-CA 3.23Å; R254-L257 VanDerWaalsContact O-CB 3.26Å; R254-L257 WeakPolarHBondContact O-CB 3.22Å; R254-L257 PolarHBondContact O-N 2.72Å; R254-W258 HydrophobicContact CB-CZ2 4.37Å; R254-W258 HydrophobicContact CG-CZ2 4.42Å; R254-W258 PolarHBondContact O-N 3.18Å; R254-Q322 VanDerWaalsContact NH2-OE1 3.08Å
255K93Very high93Very high128 Ų12840 Ų4056%0.55722%0.216SC*.Hα-helixtrans-51.9-45.5-175.1-179.8178.7-178.6179.60113.4D253 L257 W258 Q259D253-K255 VanDerWaalsContact OD1-CB 3.27Å; D253-K255 WeakPolarHBondContact OD1-CB 3.08Å; D253-K255 PolarHBondContact OD1-N 3.4Å; K255-L257 VanDerWaalsContact C-N 3.31Å; K255-L257 PolarHBondContact O-N 3.04Å; K255-W258 PolarHBondContact O-N 2.95Å; K255-Q259 HydrophobicContact CG-CG 4.39Å; K255-Q259 WeakPolarHBondContact O-CB 3.32Å; K255-Q259 VanDerWaalsContact O-CG 3.26Å; K255-Q259 WeakPolarHBondContact O-CG 3.34Å; K255-Q259 PolarHBondContact O-N 3.25Å
256P92.4Very high92.4Very high19 Ų1942.8 Ų42.812%0.12323%0.227CC..Hα-helixtrans-61-38.9175.1-24.135.8000113.1L141 Q144 L251 D253 Q259 Y260L141-P256 HydrophobicContact CD2-CB 3.92Å; Q144-P256 VanDerWaalsContact OE1-CB 3.31Å; L251-P256 HydrophobicContact CD1-CB 4.47Å; D253-P256 WeakPolarHBondContact O-CD 3.34Å; P256-Q259 PolarHBondContact O-N 3.3Å; P256-Y260 WeakPolarHBondContact O-CB 2.99Å; P256-Y260 PolarHBondContact O-N 2.95Å
257L93.6Very high91.8Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-64.6-41.7177.2-175.164.4000111.7L141 F158 L251 R254 K255 Y260 A261 I306L141-L257 HydrophobicContact CD1-CD1 4Å; F158-L257 HydrophobicContact CB-CD1 4.01Å; L251-L257 HydrophobicContact CD1-CB 3.86Å; R254-L257 WeakPolarHBondContact O-CA 3.23Å; R254-L257 VanDerWaalsContact O-CB 3.26Å; R254-L257 WeakPolarHBondContact O-CB 3.22Å; R254-L257 PolarHBondContact O-N 2.72Å; K255-L257 VanDerWaalsContact C-N 3.31Å; K255-L257 PolarHBondContact O-N 3.04Å; L257-Y260 WeakPolarHBondContact O-CB 3.37Å; L257-Y260 PolarHBondContact O-N 3.24Å; L257-A261 PolarHBondContact O-N 3.4Å; L257-I306 HydrophobicContact CD1-CB 4.49Å; L257-I306 HydrophobicContact CD1-CD1 4.01Å; L257-I306 HydrophobicContact CD1-CG1 4.03Å; L257-I306 HydrophobicContact CD1-CG2 3.65Å; L257-I306 HydrophobicContact CG-CG2 4.14Å
258W94.4Very high91.4Very high14 Ų1441.7 Ų41.75%0.05322%0.218CC..Hα-helixtrans-71.3-37.9177.4-60.2158.5000112.8R254 K255 Y260 A261 E262 R309 Y310 Y313R254-W258 HydrophobicContact CB-CZ2 4.37Å; R254-W258 HydrophobicContact CG-CZ2 4.42Å; R254-W258 PolarHBondContact O-N 3.18Å; K255-W258 PolarHBondContact O-N 2.95Å; W258-Y260 VanDerWaalsContact C-N 3.27Å; W258-Y260 PolarHBondContact O-N 2.81Å; W258-A261 HydrophobicContact CE3-CB 4.45Å; W258-A261 PolarHBondContact O-N 3.28Å; W258-E262 WeakPolarHBondContact O-CG 3.47Å; W258-E262 PolarHBondContact O-N 3.09Å; W258-R309 HydrophobicContact CH2-CB 4.33Å; W258-R309 HydrophobicContact CZ3-CB 4.44Å; W258-Y310 HydrophobicContact CB-CD2 3.87Å; W258-Y310 HydrophobicContact CB-CE2 4.1Å; W258-Y310 HydrophobicContact CD2-CD2 4.04Å; W258-Y310 AromaticContact CE3-CD2 3.93Å; W258-Y310 HydrophobicContact CE3-CD2 3.93Å; W258-Y310 HydrophobicContact CE3-CG 4.36Å; W258-Y310 HydrophobicContact CG-CD2 4.04Å; W258-Y313 AromaticContact CH2-CD2 3.4Å; W258-Y313 HydrophobicContact CH2-CD2 3.4Å; W258-Y313 AromaticContact CH2-CE2 3.92Å; W258-Y313 HydrophobicContact CH2-CE2 3.92Å; W258-Y313 HydrophobicContact CH2-CG 4.15Å; W258-Y313 AromaticContact CZ2-CD2 3.54Å; W258-Y313 HydrophobicContact CZ2-CD2 3.54Å; W258-Y313 HydrophobicContact CZ2-CE2 4.16Å; W258-Y313 AromaticContact CZ2-CG 3.84Å; W258-Y313 HydrophobicContact CZ2-CG 3.84Å
259Q92.2Very high91.1Very high101 Ų10140.2 Ų40.247%0.47221%0.211SC..Hα-helixtrans-61.3-38.6171.1-72.5174.5-34.100111.7K255 P256 K263K255-Q259 HydrophobicContact CG-CG 4.39Å; K255-Q259 WeakPolarHBondContact O-CB 3.32Å; K255-Q259 VanDerWaalsContact O-CG 3.26Å; K255-Q259 WeakPolarHBondContact O-CG 3.34Å; K255-Q259 PolarHBondContact O-N 3.25Å; P256-Q259 PolarHBondContact O-N 3.3Å; Q259-K263 PolarHBondContact O-N 3.33Å
260Y92Very high90.7Very high15 Ų1537 Ų376%0.05919%0.19CC..Hα-helixtrans-65.5-43.7173177.3-117.5000111.9M133 A137 L141 P256 L257 W258 E262 K263 L264 E303 I306M133-Y260 HydrophobicContact SD-CE2 4.3Å; A137-Y260 HydrophobicContact CB-CD2 3.88Å; A137-Y260 HydrophobicContact CB-CE2 3.52Å; L141-Y260 HydrophobicContact CD1-CD1 3.53Å; L141-Y260 HydrophobicContact CD1-CE1 4.08Å; L141-Y260 HydrophobicContact CD1-CG 3.84Å; L141-Y260 HydrophobicContact CG-CG 4.47Å; P256-Y260 WeakPolarHBondContact O-CB 2.99Å; P256-Y260 PolarHBondContact O-N 2.95Å; L257-Y260 WeakPolarHBondContact O-CB 3.37Å; L257-Y260 PolarHBondContact O-N 3.24Å; W258-Y260 VanDerWaalsContact C-N 3.27Å; W258-Y260 PolarHBondContact O-N 2.81Å; Y260-E262 PolarHBondContact O-N 3.04Å; Y260-K263 WeakPolarHBondContact O-CB 3.13Å; Y260-K263 PolarHBondContact O-N 3.32Å; Y260-L264 HydrophobicContact CD1-CD1 4.01Å; Y260-L264 HydrophobicContact CE1-CD1 3.64Å; Y260-L264 HydrophobicContact CE1-CG 4.26Å; Y260-L264 HydrophobicContact CE2-CD2 4.3Å; Y260-L264 HydrophobicContact CE2-CG 4.25Å; Y260-L264 WeakPolarHBondContact O-CG 3.3Å; Y260-L264 PolarHBondContact O-N 3.36Å; Y260-E303 WeakPolarHBondContact OH-CG 3.38Å; Y260-E303 PolarHBondContact OH-OE1 2.92Å; Y260-I306 HydrophobicContact CD1-CD1 4.09Å; Y260-I306 HydrophobicContact CD1-CG2 4.13Å; Y260-I306 HydrophobicContact CE1-CD1 3.79Å
261A93.5Very high89.6Confident0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-61.4-42.5175.500000112.9L257 W258 K263 L264 D265 I306 L307 Y310L257-A261 PolarHBondContact O-N 3.4Å; W258-A261 HydrophobicContact CE3-CB 4.45Å; W258-A261 PolarHBondContact O-N 3.28Å; A261-K263 VanDerWaalsContact C-N 3.31Å; A261-K263 PolarHBondContact O-N 3.4Å; A261-L264 WeakPolarHBondContact O-CB 3.29Å; A261-L264 PolarHBondContact O-N 3.1Å; A261-L264 VanDerWaalsContact O-N 3.15Å; A261-D265 PolarHBondContact O-N 3.23Å; A261-I306 HydrophobicContact CB-CG2 3.97Å; A261-L307 WeakPolarHBondContact O-CD1 3.22Å; A261-Y310 HydrophobicContact CB-CD1 4.22Å; A261-Y310 HydrophobicContact CB-CD2 3.97Å; A261-Y310 HydrophobicContact CB-CG 3.59Å
262E91.6Very high88.7Confident86 Ų8644.5 Ų44.540%0.40225%0.248SC..Hα-helixtrans-60.5-42.7174.2-74.6174.8166.700111.3W258 Y260 L264 D265 D266 Y310W258-E262 WeakPolarHBondContact O-CG 3.47Å; W258-E262 PolarHBondContact O-N 3.09Å; Y260-E262 PolarHBondContact O-N 3.04Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 3.43Å; E262-D265 PolarHBondContact O-N 3.37Å; E262-D266 WeakPolarHBondContact O-CB 3.29Å; E262-D266 PolarHBondContact O-N 2.95Å; E262-Y310 HydrophobicContact CG-CE1 4.16Å; E262-Y310 HydrophobicContact CG-CE2 3.72Å; E262-Y310 VanDerWaalsContact CG-CZ 3.44Å; E262-Y310 WeakPolarHBondContact CG-OH 3.44Å; E262-Y310 PolarHBondContact OE1-OH 3.38Å
263K88.3Confident88.1Confident73 Ų7345.1 Ų45.132%0.31724%0.24SC..Hα-helixtrans-61.7-40.4174.1-171179.4-179.7-176.50111.5M133 Q259 Y260 A261 T267M133-K263 HydrophobicContact CE-CG 4.46Å; Q259-K263 PolarHBondContact O-N 3.33Å; Y260-K263 WeakPolarHBondContact O-CB 3.13Å; Y260-K263 PolarHBondContact O-N 3.32Å; A261-K263 VanDerWaalsContact C-N 3.31Å; A261-K263 PolarHBondContact O-N 3.4Å; K263-T267 WeakPolarHBondContact O-CB 3.5Å; K263-T267 PolarHBondContact O-N 3.26Å; K263-T267 PolarHBondContact O-OG1 3.04Å
264L90.1Very high87.6Confident0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-60.7-46.4174.7-71170.8000111.5M133 Y260 A261 E262 T267 Y268 M299 E303M133-L264 HydrophobicContact CE-CD2 4.04Å; M133-L264 HydrophobicContact CG-CD2 3.91Å; M133-L264 HydrophobicContact SD-CD2 3.39Å; M133-L264 WeakPolarHBondContact SD-CD2 3.45Å; M133-L264 HydrophobicContact SD-CG 4.48Å; Y260-L264 HydrophobicContact CD1-CD1 4.01Å; Y260-L264 HydrophobicContact CE1-CD1 3.64Å; Y260-L264 HydrophobicContact CE1-CG 4.26Å; Y260-L264 HydrophobicContact CE2-CD2 4.3Å; Y260-L264 HydrophobicContact CE2-CG 4.25Å; Y260-L264 WeakPolarHBondContact O-CG 3.3Å; Y260-L264 PolarHBondContact O-N 3.36Å; A261-L264 WeakPolarHBondContact O-CB 3.29Å; A261-L264 PolarHBondContact O-N 3.1Å; A261-L264 VanDerWaalsContact O-N 3.15Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 3.43Å; L264-T267 PolarHBondContact O-N 2.71Å; L264-Y268 HydrophobicContact CD2-CD2 4.12Å; L264-Y268 HydrophobicContact CD2-CE2 3.81Å; L264-Y268 WeakPolarHBondContact O-CB 3.32Å; L264-Y268 WeakPolarHBondContact O-CD2 3.38Å; L264-Y268 PolarHBondContact O-N 2.86Å; L264-M299 HydrophobicContact CB-CE 4.19Å; L264-M299 HydrophobicContact CD1-CE 4.27Å; L264-M299 HydrophobicContact CD2-CE 4.28Å; L264-E303 HydrophobicContact CD1-CB 3.89Å; L264-E303 HydrophobicContact CD1-CG 4.11Å; L264-E303 HydrophobicContact CD2-CB 4Å; L264-E303 HydrophobicContact CD2-CG 3.79Å
265D91.4Very high87.2Confident15 Ų1541.6 Ų41.68%0.0823%0.225CC..Hα-helixtrans-62.4-48.2178.7-164.836000111.7A261 E262 T267 C269 A270 L307 F311A261-D265 PolarHBondContact O-N 3.23Å; E262-D265 PolarHBondContact O-N 3.37Å; D265-T267 VanDerWaalsContact C-N 3.3Å; D265-T267 PolarHBondContact O-N 3.17Å; D265-C269 WeakPolarHBondContact O-CA 3.42Å; D265-C269 WeakPolarHBondContact O-CB 3.35Å; D265-C269 PolarHBondContact O-N 3.19Å; D265-C269 WeakPolarHBondContact OD1-CB 3.48Å; D265-C269 PolarHBondContact OD1-SG 3.03Å; D265-A270 PolarHBondContact O-N 2.85Å; D265-L307 HydrophobicContact CB-CD1 3.82Å; D265-F311 HydrophobicContact CB-CZ 4.48Å; D265-F311 WeakPolarHBondContact OD1-CZ 3.23Å
266D85.1Confident87Confident88 Ų8837.6 Ų37.647%0.47121%0.209SC..Hα-helixtrans-62.9-37.5178.1-84.8-22.7000112.3E262 A270E262-D266 WeakPolarHBondContact O-CB 3.29Å; E262-D266 PolarHBondContact O-N 2.95Å; D266-A270 WeakPolarHBondContact O-CB 3.34Å
267T83.8Confident86.9Confident11 Ų1139.4 Ų39.47%0.06723%0.226CC..Hα-helixtrans-73.7-47.2-178.2-59.80000111.7I131 M133 K263 L264 D265I131-T267 WeakPolarHBondContact CD1-O 3.48Å; I131-T267 HydrophobicContact CG2-CG2 3.48Å; I131-T267 VanDerWaalsContact CG2-CG2 3.48Å; M133-T267 HydrophobicContact CE-CG2 3.53Å; M133-T267 VanDerWaalsContact CE-OG1 3.29Å; M133-T267 WeakPolarHBondContact CE-OG1 3.21Å; K263-T267 WeakPolarHBondContact O-CB 3.5Å; K263-T267 PolarHBondContact O-N 3.26Å; K263-T267 PolarHBondContact O-OG1 3.04Å; L264-T267 PolarHBondContact O-N 2.71Å; D265-T267 VanDerWaalsContact C-N 3.3Å; D265-T267 PolarHBondContact O-N 3.17Å
268Y85.8Confident86.9Confident23 Ų2340 Ų409%0.0923%0.231CC..Hα-helixtrans-97.6-34.3-170.7-73.1-69.1000114.5I131 M133 L264 T297 S298 M299I131-Y268 HydrophobicContact CG2-CD1 3.68Å; I131-Y268 HydrophobicContact CG2-CE1 3.56Å; I131-Y268 HydrophobicContact CG2-CG 4.5Å; M133-Y268 HydrophobicContact CB-CE2 4.41Å; M133-Y268 WeakPolarHBondContact CB-OH 3.44Å; M133-Y268 HydrophobicContact CE-CE2 4.27Å; M133-Y268 HydrophobicContact CG-CD2 4.4Å; M133-Y268 HydrophobicContact CG-CE2 3.23Å; M133-Y268 VanDerWaalsContact CG-CZ 3.44Å; M133-Y268 WeakPolarHBondContact CG-OH 3.36Å; M133-Y268 HydrophobicContact SD-CE2 4.27Å; L264-Y268 HydrophobicContact CD2-CD2 4.12Å; L264-Y268 HydrophobicContact CD2-CE2 3.81Å; L264-Y268 WeakPolarHBondContact O-CB 3.32Å; L264-Y268 WeakPolarHBondContact O-CD2 3.38Å; L264-Y268 PolarHBondContact O-N 2.86Å; Y268-T297 HydrophobicContact CD1-CG2 4.4Å; Y268-S298 WeakPolarHBondContact CE1-OG 3.39Å; Y268-M299 HydrophobicContact CD1-CG 4Å; Y268-M299 HydrophobicContact CD2-CE 4.29Å; Y268-M299 HydrophobicContact CD2-CG 3.31Å; Y268-M299 HydrophobicContact CD2-SD 3.67Å; Y268-M299 HydrophobicContact CE1-CG 4.03Å; Y268-M299 HydrophobicContact CE2-CB 4.5Å; Y268-M299 HydrophobicContact CE2-CG 3.31Å; Y268-M299 HydrophobicContact CE2-SD 4.24Å; Y268-M299 HydrophobicContact CG-CG 3.64Å; Y268-M299 HydrophobicContact CG-SD 3.92Å
269C85.9Confident86.9Confident13 Ų1343.1 Ų43.19%0.08825%0.248CC..THydrogen-bonded Turntrans-95.9-26.7-172.8-57.40000112.7D265 G271D265-C269 WeakPolarHBondContact O-CA 3.42Å; D265-C269 WeakPolarHBondContact O-CB 3.35Å; D265-C269 PolarHBondContact O-N 3.19Å; D265-C269 WeakPolarHBondContact OD1-CB 3.48Å; D265-C269 PolarHBondContact OD1-SG 3.03Å; C269-G271 PolarHBondContact O-N 3.39Å
270A81.8Confident87Confident2 Ų243.3 Ų43.32%0.01725%0.249CC..THydrogen-bonded Turntrans-81.47.4-175.300000114.9K122 D265 D266 H273 P275K122-A270 PolarHBondContact NZ-O 2.88Å; D265-A270 PolarHBondContact O-N 2.85Å; D266-A270 WeakPolarHBondContact O-CB 3.34Å; A270-H273 WeakPolarHBondContact CA-O 3.5Å; A270-P275 HydrophobicContact CB-CG 3.44Å; A270-P275 VanDerWaalsContact CB-CG 3.44Å
271G73.5Confident87.2Confident46 Ų4646.1 Ų46.147%0.47426%0.26SS..THydrogen-bonded Turntrans-82.9-33-177.500000113.8C269C269-G271 PolarHBondContact O-N 3.39Å
272C74.5Confident87.3Confident122 Ų12248.2 Ų48.282%0.82427%0.273SS*.THydrogen-bonded Turntrans-102.7-30.8-174-670000113.5
273H81.7Confident87.5Confident80 Ų8044.1 Ų44.137%0.3725%0.254SS..SBendtrans-155.6170.2179.948.769.3000108.5A270A270-H273 WeakPolarHBondContact CA-O 3.5Å
274A81.1Confident87.9Confident7 Ų743.5 Ų43.56%0.05825%0.254CS..PPolyproline II helixtrans-54.9139.8170.200000110.8E115 D119E115-A274 HydrophobicContact CG-CB 4.05Å; D119-A274 HydrophobicContact CB-CB 3.98Å
275P84.9Confident88.2Confident31 Ų3144.9 Ų44.920%0.20127%0.266CS..PPolyproline II helixtrans-55.1145.3171.5-28.337.2000112.2A270A270-P275 HydrophobicContact CB-CG 3.44Å; A270-P275 VanDerWaalsContact CB-CG 3.44Å
276I88.6Confident88.5Confident43 Ų4344.2 Ų44.222%0.22126%0.262CS..PPolyproline II helixtrans-87120.6176.1-56.9175.7000107.7A278 H280 Y281 W286 M293I276-A278 PolarHBondContact O-N 3.24Å; I276-H280 HydrophobicContact CG2-CB 3.62Å; I276-Y281 HydrophobicContact CD1-CE2 4.25Å; I276-Y281 HydrophobicContact CG2-CD2 4.32Å; I276-Y281 HydrophobicContact CG2-CE2 3.86Å; I276-W286 HydrophobicContact CB-CH2 4.35Å; I276-W286 HydrophobicContact CG2-CH2 3.89Å; I276-M293 HydrophobicContact CD1-SD 4.25Å
277A90.9Very high89Confident58 Ų5842 Ų4248%0.47925%0.252SS..PPolyproline II helixtrans-54.7139.9177.900000111.9D279 H280 W286A277-D279 WeakPolarHBondContact CB-OD1 3.28Å; A277-D279 PolarHBondContact O-N 2.75Å; A277-D279 VanDerWaalsContact O-N 3.13Å; A277-H280 WeakPolarHBondContact O-CB 3.38Å; A277-H280 PolarHBondContact O-N 2.79Å; A277-W286 WeakPolarHBondContact O-CZ2 3.19Å
278A94.3Very high89.5Confident12 Ų1246 Ų4610%0.09928%0.28CS..THydrogen-bonded Turntrans-60.1-25.7-176.800000113.6I276 H280 W286 Y310 F311 N314 A315I276-A278 PolarHBondContact O-N 3.24Å; A278-H280 VanDerWaalsContact C-N 3.31Å; A278-H280 PolarHBondContact O-N 3.18Å; A278-W286 VanDerWaalsContact O-CE2 3.26Å; A278-W286 WeakPolarHBondContact O-CZ2 3.29Å; A278-W286 PolarHBondContact O-NE1 2.9Å; A278-Y310 HydrophobicContact CB-CE1 3.97Å; A278-F311 HydrophobicContact CB-CD1 3.84Å; A278-N314 CarbonylContact C-O 3.53Å; A278-N314 HydrophobicContact CB-CB 3.56Å; A278-A315 WeakPolarHBondContact O-CA 3.42Å
279D94.4Very high89.9Confident79 Ų7946.8 Ų46.842%0.42229%0.286SS..THydrogen-bonded Turntrans-91.116.2176.367.9-6.1000113.8A277 N314 K316 K321A277-D279 WeakPolarHBondContact CB-OD1 3.28Å; A277-D279 PolarHBondContact O-N 2.75Å; A277-D279 VanDerWaalsContact O-N 3.13Å; D279-N314 WeakPolarHBondContact CA-O 3.49Å; D279-N314 PolarHBondContact N-O 3.47Å; D279-K316 VanDerWaalsContact O-CB 3.23Å; D279-K316 WeakPolarHBondContact O-CB 3.34Å; D279-K321 IonicContact OD2-NZ 3.51Å; D279-K321 PolarHBondContact OD2-NZ 3.19Å
280H93.9Very high90.3Very high106 Ų10646.2 Ų46.249%0.49128%0.282SS..SBendtrans-76.6-42.8175.9-168.591000112.3I276 A277 A278 W286I276-H280 HydrophobicContact CG2-CB 3.62Å; A277-H280 WeakPolarHBondContact O-CB 3.38Å; A277-H280 PolarHBondContact O-N 2.79Å; A278-H280 VanDerWaalsContact C-N 3.31Å; A278-H280 PolarHBondContact O-N 3.18Å; H280-W286 HydrophobicContact CB-CZ2 4.43Å
281Y96.3Very high90.9Very high73 Ų7353.4 Ų53.429%0.28631%0.313SS..SBendtrans-109.8166.2-177-60.7-68.9000112.7I276 W286 I289 K316I276-Y281 HydrophobicContact CD1-CE2 4.25Å; I276-Y281 HydrophobicContact CG2-CD2 4.32Å; I276-Y281 HydrophobicContact CG2-CE2 3.86Å; Y281-W286 HydrophobicContact CD2-CD2 4.2Å; Y281-W286 HydrophobicContact CD2-CE3 4.06Å; Y281-W286 AromaticContact CD2-CH2 3.6Å; Y281-W286 HydrophobicContact CD2-CH2 3.6Å; Y281-W286 AromaticContact CD2-CZ2 3.7Å; Y281-W286 HydrophobicContact CD2-CZ2 3.7Å; Y281-W286 AromaticContact CD2-CZ3 3.78Å; Y281-W286 HydrophobicContact CD2-CZ3 3.78Å; Y281-W286 HydrophobicContact CE2-CH2 4.27Å; Y281-W286 HydrophobicContact CE2-CZ3 4.36Å; Y281-W286 HydrophobicContact CG-CZ2 4.35Å; Y281-W286 PolarHBondContact O-NE1 3.49Å; Y281-I289 HydrophobicContact CD1-CD1 3.61Å; Y281-I289 HydrophobicContact CD2-CD1 3.33Å; Y281-I289 HydrophobicContact CD2-CG2 4.35Å; Y281-I289 HydrophobicContact CE1-CD1 3.79Å; Y281-I289 HydrophobicContact CE2-CD1 3.51Å; Y281-I289 HydrophobicContact CE2-CG2 4.03Å; Y281-I289 HydrophobicContact CG-CD1 3.38Å; Y281-K316 PolarHBondContact O-N 3.31Å; Y281-K316 VanDerWaalsContact O-N 3.15Å
282T96.2Very high91.8Very high44 Ų4453.2 Ų53.227%0.2731%0.311SS..  trans-76.7159.217355.20000111.6N284 A285 W286 K316 D317T282-N284 PolarHBondContact O-N 3.41Å; T282-N284 VanDerWaalsContact O-N 3.08Å; T282-A285 PolarHBondContact O-N 2.88Å; T282-A285 PolarHBondContact OG1-N 2.93Å; T282-W286 VanDerWaalsContact O-CD1 3.25Å; T282-W286 PolarHBondContact O-N 2.73Å; T282-K316 HydrophobicContact CG2-CD 4.37Å; T282-K316 HydrophobicContact CG2-CG 4.25Å; T282-D317 WeakPolarHBondContact CA-OD1 3.41Å; T282-D317 WeakPolarHBondContact CB-OD1 3.48Å; T282-D317 VanDerWaalsContact CB-OD2 3.31Å; T282-D317 WeakPolarHBondContact CB-OD2 3.3Å
283V95.8Very high92.6Very high0 Ų049 Ų490%028%0.28CS..THydrogen-bonded Turntrans-46.5-41.5173.3174.80000111.4Q207 L209 P287 Q312 A315 D317 I318Q207-V283 HydrophobicContact CB-CG1 4.15Å; L209-V283 HydrophobicContact CB-CG1 3.82Å; V283-P287 WeakPolarHBondContact O-CD 3.46Å; V283-Q312 HydrophobicContact CG1-CB 4.34Å; V283-Q312 HydrophobicContact CG1-CG 4.42Å; V283-Q312 PolarHBondContact O-NE2 3.07Å; V283-A315 HydrophobicContact CB-CB 4.36Å; V283-A315 HydrophobicContact CG2-CB 3.69Å; V283-D317 WeakPolarHBondContact CG2-OD1 3.44Å; V283-D317 PolarHBondContact N-OD1 3.13Å; V283-I318 HydrophobicContact CG2-CD1 3.37Å; V283-I318 HydrophobicContact CG2-CG1 3.5Å
284N95.5Very high93Very high60 Ų6045.7 Ų45.732%0.32127%0.267SS..THydrogen-bonded Turntrans-78.6-21-174.3-66.7-11.5000113.7G206 R208 T282G206-N284 PolarHBondContact O-ND2 3.43Å; R208-N284 WeakPolarHBondContact CB-OD1 3.42Å; R208-N284 PolarHBondContact N-OD1 2.83Å; T282-N284 PolarHBondContact O-N 3.41Å; T282-N284 VanDerWaalsContact O-N 3.08Å
285A96.9Very high93.4Very high30 Ų3049.4 Ų49.425%0.24830%0.298CS..THydrogen-bonded Turntrans-86.7-33.1-179.200000112.3T282 S288 I289T282-A285 PolarHBondContact O-N 2.88Å; T282-A285 PolarHBondContact OG1-N 2.93Å; A285-S288 PolarHBondContact O-N 3.04Å; A285-I289 HydrophobicContact CB-CD1 4.05Å; A285-I289 WeakPolarHBondContact O-CG1 3.43Å; A285-I289 PolarHBondContact O-N 3.41Å
286W96.6Very high93.5Very high0 Ų058.6 Ų58.60%033%0.328CS..Hα-helixtrans-55.1-43.5-174.4-82.7124.3000115.8I276 A277 A278 H280 Y281 T282 S288 I289 A290 M293 F311 Q312I276-W286 HydrophobicContact CB-CH2 4.35Å; I276-W286 HydrophobicContact CG2-CH2 3.89Å; A277-W286 WeakPolarHBondContact O-CZ2 3.19Å; A278-W286 VanDerWaalsContact O-CE2 3.26Å; A278-W286 WeakPolarHBondContact O-CZ2 3.29Å; A278-W286 PolarHBondContact O-NE1 2.9Å; H280-W286 HydrophobicContact CB-CZ2 4.43Å; Y281-W286 HydrophobicContact CD2-CD2 4.2Å; Y281-W286 HydrophobicContact CD2-CE3 4.06Å; Y281-W286 AromaticContact CD2-CH2 3.6Å; Y281-W286 HydrophobicContact CD2-CH2 3.6Å; Y281-W286 AromaticContact CD2-CZ2 3.7Å; Y281-W286 HydrophobicContact CD2-CZ2 3.7Å; Y281-W286 AromaticContact CD2-CZ3 3.78Å; Y281-W286 HydrophobicContact CD2-CZ3 3.78Å; Y281-W286 HydrophobicContact CE2-CH2 4.27Å; Y281-W286 HydrophobicContact CE2-CZ3 4.36Å; Y281-W286 HydrophobicContact CG-CZ2 4.35Å; Y281-W286 PolarHBondContact O-NE1 3.49Å; T282-W286 VanDerWaalsContact O-CD1 3.25Å; T282-W286 PolarHBondContact O-N 2.73Å; W286-S288 VanDerWaalsContact C-N 3.32Å; W286-S288 PolarHBondContact O-N 3.11Å; W286-I289 HydrophobicContact CE3-CB 4.29Å; W286-I289 HydrophobicContact CE3-CG2 4.18Å; W286-I289 HydrophobicContact CZ3-CG2 4.11Å; W286-I289 PolarHBondContact O-N 2.84Å; W286-I289 VanDerWaalsContact O-N 3.09Å; W286-A290 WeakPolarHBondContact O-CB 3.28Å; W286-A290 PolarHBondContact O-N 3.22Å; W286-M293 HydrophobicContact CZ3-CE 4.43Å; W286-F311 HydrophobicContact CB-CB 4.16Å; W286-F311 HydrophobicContact CD2-CB 3.53Å; W286-F311 HydrophobicContact CD2-CD2 4.46Å; W286-F311 AromaticContact CD2-CG 3.99Å; W286-F311 HydrophobicContact CD2-CG 3.99Å; W286-F311 HydrophobicContact CE3-CB 3.78Å; W286-F311 HydrophobicContact CE3-CD1 4.33Å; W286-F311 AromaticContact CE3-CD2 3.82Å; W286-F311 HydrophobicContact CE3-CD2 3.82Å; W286-F311 HydrophobicContact CE3-CE2 4.45Å; W286-F311 AromaticContact CE3-CG 3.75Å; W286-F311 HydrophobicContact CE3-CG 3.75Å; W286-F311 HydrophobicContact CG-CB 3.71Å; W286-F311 AromaticContact CH2-CD1 3.88Å; W286-F311 HydrophobicContact CH2-CD1 3.88Å; W286-F311 HydrophobicContact CH2-CE1 4.13Å; W286-F311 HydrophobicContact CH2-CG 4.15Å; W286-F311 HydrophobicContact CZ2-CB 4.42Å; W286-F311 HydrophobicContact CZ2-CD1 4.16Å; W286-F311 HydrophobicContact CZ2-CG 4.4Å; W286-F311 HydrophobicContact CZ3-CB 4.3Å; W286-F311 AromaticContact CZ3-CD1 3.98Å; W286-F311 HydrophobicContact CZ3-CD1 3.98Å; W286-F311 AromaticContact CZ3-CD2 3.9Å; W286-F311 HydrophobicContact CZ3-CD2 3.9Å; W286-F311 HydrophobicContact CZ3-CE1 4.21Å; W286-F311 HydrophobicContact CZ3-CE2 4.12Å; W286-F311 AromaticContact CZ3-CG 3.82Å; W286-F311 HydrophobicContact CZ3-CG 3.82Å; W286-F311 HydrophobicContact CZ3-CZ 4.27Å; W286-F311 PolarHBondContact NE1-O 3.49Å; W286-Q312 HydrophobicContact CB-CG 3.86Å
287P95.8Very high93.3Very high42 Ų4258.4 Ų58.427%0.27333%0.329SS..Hα-helixtrans-56.1-42.8-179.7-29.236.6000113.9V283 K291 T308 Q312V283-P287 WeakPolarHBondContact O-CD 3.46Å; P287-K291 WeakPolarHBondContact O-CB 3.22Å; P287-K291 PolarHBondContact O-N 3.24Å; P287-T308 HydrophobicContact CB-CG2 4.36Å; P287-T308 HydrophobicContact CG-CG2 4.35Å; P287-Q312 HydrophobicContact CG-CG 4.4Å; P287-Q312 VanDerWaalsContact CG-NE2 3.29Å
288S95.7Very high93.1Very high94 Ų9459.9 Ų59.966%0.65734%0.336SS*.Hα-helixtrans-68.9-36.8178.5-62.60000112.1A285 W286 G292A285-S288 PolarHBondContact O-N 3.04Å; W286-S288 VanDerWaalsContact C-N 3.32Å; W286-S288 PolarHBondContact O-N 3.11Å; S288-G292 PolarHBondContact O-N 3.43Å; S288-G292 VanDerWaalsContact O-N 3.13Å
289I94.3Very high92.7Very high40 Ų4060.5 Ų60.521%0.20534%0.337CS..Hα-helixtrans-72.8-50.6-177.8-63.7169.8000110.1Y281 A285 W286 K291 G292 M293Y281-I289 HydrophobicContact CD1-CD1 3.61Å; Y281-I289 HydrophobicContact CD2-CD1 3.33Å; Y281-I289 HydrophobicContact CD2-CG2 4.35Å; Y281-I289 HydrophobicContact CE1-CD1 3.79Å; Y281-I289 HydrophobicContact CE2-CD1 3.51Å; Y281-I289 HydrophobicContact CE2-CG2 4.03Å; Y281-I289 HydrophobicContact CG-CD1 3.38Å; A285-I289 HydrophobicContact CB-CD1 4.05Å; A285-I289 WeakPolarHBondContact O-CG1 3.43Å; A285-I289 PolarHBondContact O-N 3.41Å; W286-I289 HydrophobicContact CE3-CB 4.29Å; W286-I289 HydrophobicContact CE3-CG2 4.18Å; W286-I289 HydrophobicContact CZ3-CG2 4.11Å; W286-I289 PolarHBondContact O-N 2.84Å; W286-I289 VanDerWaalsContact O-N 3.09Å; I289-K291 VanDerWaalsContact C-N 3.34Å; I289-K291 PolarHBondContact O-N 2.81Å; I289-G292 PolarHBondContact O-N 3.49Å; I289-G292 VanDerWaalsContact O-N 3.09Å; I289-M293 HydrophobicContact CG2-CE 4.03Å; I289-M293 HydrophobicContact CG2-SD 4.39Å; I289-M293 WeakPolarHBondContact O-CG 3.49Å; I289-M293 PolarHBondContact O-N 2.87Å
290A94.2Very high92.4Very high1 Ų159.5 Ų59.51%0.00834%0.336CS..Hα-helixtrans-58.4-45176.200000111.1W286 G292 M293 G294 L304 T308 F311W286-A290 WeakPolarHBondContact O-CB 3.28Å; W286-A290 PolarHBondContact O-N 3.22Å; A290-G292 VanDerWaalsContact C-N 3.3Å; A290-G292 PolarHBondContact O-N 2.99Å; A290-M293 PolarHBondContact O-N 3.33Å; A290-G294 PolarHBondContact O-N 3.1Å; A290-L304 HydrophobicContact CB-CD1 4.39Å; A290-T308 HydrophobicContact CB-CG2 4.21Å; A290-T308 VanDerWaalsContact CB-OG1 3.24Å; A290-T308 WeakPolarHBondContact CB-OG1 3.39Å; A290-F311 HydrophobicContact CB-CD2 4.33Å
291K94.3Very high92.1Very high154 Ų15462.5 Ų62.567%0.6735%0.351SS*.Hα-helixtrans-57-42.1173.7-177.4175.7-178.41740112.8P287 I289 A295P287-K291 WeakPolarHBondContact O-CB 3.22Å; P287-K291 PolarHBondContact O-N 3.24Å; I289-K291 VanDerWaalsContact C-N 3.34Å; I289-K291 PolarHBondContact O-N 2.81Å; K291-A295 WeakPolarHBondContact O-CB 3.35Å; K291-A295 PolarHBondContact O-N 3.38Å; K291-A295 VanDerWaalsContact O-N 3.11Å
292G92.2Very high91.7Very high42 Ų4261.5 Ų61.543%0.43335%0.35SS..Hα-helixtrans-67.5-34.9178.500000113.8S288 I289 A290S288-G292 PolarHBondContact O-N 3.43Å; S288-G292 VanDerWaalsContact O-N 3.13Å; I289-G292 PolarHBondContact O-N 3.49Å; I289-G292 VanDerWaalsContact O-N 3.09Å; A290-G292 VanDerWaalsContact C-N 3.3Å; A290-G292 PolarHBondContact O-N 2.99Å
293M90.6Very high91.5Very high34 Ų3460.3 Ų60.317%0.16734%0.342CS..Hα-helixtrans-75-50174.9-64.7-172.8-56.500111.2I276 W286 I289 A290 A295 R296 F311I276-M293 HydrophobicContact CD1-SD 4.25Å; W286-M293 HydrophobicContact CZ3-CE 4.43Å; I289-M293 HydrophobicContact CG2-CE 4.03Å; I289-M293 HydrophobicContact CG2-SD 4.39Å; I289-M293 WeakPolarHBondContact O-CG 3.49Å; I289-M293 PolarHBondContact O-N 2.87Å; A290-M293 PolarHBondContact O-N 3.33Å; M293-A295 VanDerWaalsContact C-N 3.27Å; M293-A295 PolarHBondContact O-N 3.14Å; M293-R296 WeakPolarHBondContact O-CB 3.45Å; M293-R296 PolarHBondContact O-N 3.44Å; M293-F311 HydrophobicContact CE-CE2 4.09Å; M293-F311 HydrophobicContact CE-CZ 4.46Å
294G90.3Very high91.4Very high10 Ų1062.1 Ų62.110%0.10335%0.351CS..Hα-helixtrans-60.2-31.2-179.600000113.9A290 R296 T297A290-G294 PolarHBondContact O-N 3.1Å; G294-R296 PolarHBondContact O-N 3.45Å; G294-T297 PolarHBondContact O-N 2.95Å; G294-T297 PolarHBondContact O-OG1 2.91Å
295A89.3Confident91.2Very high84 Ų8462 Ų6269%0.69435%0.35SS*.THydrogen-bonded Turntrans-63.1-9.4173.400000114.3K291 M293K291-A295 WeakPolarHBondContact O-CB 3.35Å; K291-A295 PolarHBondContact O-N 3.38Å; K291-A295 VanDerWaalsContact O-N 3.11Å; M293-A295 VanDerWaalsContact C-N 3.27Å; M293-A295 PolarHBondContact O-N 3.14Å
296R86.5Confident91.1Very high224 Ų22460.5 Ų60.585%0.84534%0.338SS*.THydrogen-bonded Turntrans-107.44.1177.7-54.8178.6-178-135.4-2.5112.7M293 G294M293-R296 WeakPolarHBondContact O-CB 3.45Å; M293-R296 PolarHBondContact O-N 3.44Å; G294-R296 PolarHBondContact O-N 3.45Å
297T85.9Confident91Very high40 Ų4060.7 Ų60.725%0.24534%0.339CS..SBendtrans-117.5171.8-178.673.10000109.5Y268 G294 M299Y268-T297 HydrophobicContact CD1-CG2 4.4Å; G294-T297 PolarHBondContact O-N 2.95Å; G294-T297 PolarHBondContact O-OG1 2.91Å; T297-M299 VanDerWaalsContact C-N 3.29Å; T297-M299 WeakPolarHBondContact OG1-CB 3.47Å; T297-M299 WeakPolarHBondContact OG1-CG 3.38Å; T297-M299 PolarHBondContact OG1-N 2.84Å
298S85.4Confident91.1Very high88 Ų8859.1 Ų59.162%0.61533%0.329SS*.  trans-94.22017259.10000112.6Y268Y268-S298 WeakPolarHBondContact CE1-OG 3.39Å
299M86.7Confident91.1Very high26 Ų2656.1 Ų56.113%0.12830%0.303CS..  trans-63.1139.4-179.3-72.5174.677.500111.2L264 Y268 T297 E303 L304 L307L264-M299 HydrophobicContact CB-CE 4.19Å; L264-M299 HydrophobicContact CD1-CE 4.27Å; L264-M299 HydrophobicContact CD2-CE 4.28Å; Y268-M299 HydrophobicContact CD1-CG 4Å; Y268-M299 HydrophobicContact CD2-CE 4.29Å; Y268-M299 HydrophobicContact CD2-CG 3.31Å; Y268-M299 HydrophobicContact CD2-SD 3.67Å; Y268-M299 HydrophobicContact CE1-CG 4.03Å; Y268-M299 HydrophobicContact CE2-CB 4.5Å; Y268-M299 HydrophobicContact CE2-CG 3.31Å; Y268-M299 HydrophobicContact CE2-SD 4.24Å; Y268-M299 HydrophobicContact CG-CG 3.64Å; Y268-M299 HydrophobicContact CG-SD 3.92Å; T297-M299 VanDerWaalsContact C-N 3.29Å; T297-M299 WeakPolarHBondContact OG1-CB 3.47Å; T297-M299 WeakPolarHBondContact OG1-CG 3.38Å; T297-M299 PolarHBondContact OG1-N 2.84Å; M299-E303 WeakPolarHBondContact CA-OE2 3.25Å; M299-E303 HydrophobicContact CB-CB 4.3Å; M299-E303 HydrophobicContact CE-CB 3.73Å; M299-L304 HydrophobicContact CE-CB 4.47Å; M299-L307 HydrophobicContact CE-CB 4.11Å; M299-L307 HydrophobicContact CE-CD2 3.75Å; M299-L307 HydrophobicContact SD-CD2 4.23Å
300S87.8Confident91.1Very high57 Ų5755.6 Ų55.640%0.39930%0.299SS..  trans-66.2161.2165.767.60000111.3N302 E303 L304S300-N302 VanDerWaalsContact C-N 3.29Å; S300-N302 PolarHBondContact O-N 2.79Å; S300-E303 WeakPolarHBondContact CB-OE2 3.13Å; S300-E303 PolarHBondContact N-OE2 3.2Å; S300-E303 PolarHBondContact O-N 3.14Å; S300-E303 WeakPolarHBondContact OG-CB 3.48Å; S300-E303 VanDerWaalsContact OG-CD 3.25Å; S300-E303 WeakPolarHBondContact OG-CG 3.49Å; S300-E303 PolarHBondContact OG-N 2.73Å; S300-E303 PolarHBondContact OG-OE2 3.2Å; S300-L304 PolarHBondContact O-N 2.71Å
301E87.7Confident91.3Very high170 Ų17055.6 Ų55.679%0.79430%0.299SS*.Hα-helixtrans-59.6-40.6176.6-64.9-176.516500111.9L304 D305E301-L304 PolarHBondContact O-N 2.56Å; E301-D305 WeakPolarHBondContact O-CB 3.31Å; E301-D305 PolarHBondContact O-N 2.92Å
302N88.9Confident91.4Very high52 Ų5248.3 Ų48.328%0.27827%0.267SS..Hα-helixtrans-65.9-41.1178.9-175.972.9000112.3K159 S300 D305 I306K159-N302 WeakPolarHBondContact CA-OD1 3.45Å; S300-N302 VanDerWaalsContact C-N 3.29Å; S300-N302 PolarHBondContact O-N 2.79Å; N302-D305 PolarHBondContact O-N 3.08Å; N302-I306 WeakPolarHBondContact ND2-CD1 3.37Å; N302-I306 VanDerWaalsContact O-CG1 3.26Å; N302-I306 WeakPolarHBondContact O-CG1 3.32Å; N302-I306 PolarHBondContact O-N 3.26Å
303E91.4Very high91.6Very high19 Ų1946.4 Ų46.49%0.08925%0.247CC..Hα-helixtrans-62.3-45.3174.8-74.8167.3147.400111.5M133 Y260 L264 M299 S300 D305 I306 L307M133-E303 WeakPolarHBondContact CB-OE1 3.41Å; M133-E303 WeakPolarHBondContact CG-OE1 3.46Å; Y260-E303 WeakPolarHBondContact OH-CG 3.38Å; Y260-E303 PolarHBondContact OH-OE1 2.92Å; L264-E303 HydrophobicContact CD1-CB 3.89Å; L264-E303 HydrophobicContact CD1-CG 4.11Å; L264-E303 HydrophobicContact CD2-CB 4Å; L264-E303 HydrophobicContact CD2-CG 3.79Å; M299-E303 WeakPolarHBondContact CA-OE2 3.25Å; M299-E303 HydrophobicContact CB-CB 4.3Å; M299-E303 HydrophobicContact CE-CB 3.73Å; S300-E303 WeakPolarHBondContact CB-OE2 3.13Å; S300-E303 PolarHBondContact N-OE2 3.2Å; S300-E303 PolarHBondContact O-N 3.14Å; S300-E303 WeakPolarHBondContact OG-CB 3.48Å; S300-E303 VanDerWaalsContact OG-CD 3.25Å; S300-E303 WeakPolarHBondContact OG-CG 3.49Å; S300-E303 PolarHBondContact OG-N 2.73Å; S300-E303 PolarHBondContact OG-OE2 3.2Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 3.01Å; E303-I306 PolarHBondContact O-N 3.15Å; E303-L307 WeakPolarHBondContact O-CB 3.37Å; E303-L307 PolarHBondContact O-N 3.37Å
304L92.4Very high91.8Very high37 Ų3746.1 Ų46.119%0.19425%0.246CC..Hα-helixtrans-64.5-38.1178.5-178.558000111.3A290 M299 S300 E301 T308A290-L304 HydrophobicContact CB-CD1 4.39Å; M299-L304 HydrophobicContact CE-CB 4.47Å; S300-L304 PolarHBondContact O-N 2.71Å; E301-L304 PolarHBondContact O-N 2.56Å; L304-T308 VanDerWaalsContact O-CB 3.24Å; L304-T308 WeakPolarHBondContact O-CB 3.48Å; L304-T308 PolarHBondContact O-N 3.02Å; L304-T308 PolarHBondContact O-OG1 3.21Å
305D92.9Very high92.1Very high57 Ų5745.6 Ų45.631%0.30524%0.241SC..Hα-helixtrans-64.8-49.6175.4-84.8-11.4000111.4E301 N302 E303 L307 T308 R309E301-D305 WeakPolarHBondContact O-CB 3.31Å; E301-D305 PolarHBondContact O-N 2.92Å; N302-D305 PolarHBondContact O-N 3.08Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 3.01Å; D305-L307 VanDerWaalsContact C-N 3.33Å; D305-L307 PolarHBondContact O-N 3.27Å; D305-T308 PolarHBondContact O-N 3.45Å; D305-R309 VanDerWaalsContact O-CG 3.3Å; D305-R309 WeakPolarHBondContact O-CG 3.38Å; D305-R309 PolarHBondContact O-N 3.36Å
306I94.6Very high92.4Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-56.3-48.8176.7-69.6165.9000110.7F158 P171 L257 Y260 A261 N302 E303 T308 R309 Y310F158-I306 VanDerWaalsContact O-CD1 3.32Å; F158-I306 WeakPolarHBondContact O-CD1 3.16Å; P171-I306 HydrophobicContact CB-CG1 3.88Å; P171-I306 HydrophobicContact CG-CG1 4.05Å; L257-I306 HydrophobicContact CD1-CB 4.49Å; L257-I306 HydrophobicContact CD1-CD1 4.01Å; L257-I306 HydrophobicContact CD1-CG1 4.03Å; L257-I306 HydrophobicContact CD1-CG2 3.65Å; L257-I306 HydrophobicContact CG-CG2 4.14Å; Y260-I306 HydrophobicContact CD1-CD1 4.09Å; Y260-I306 HydrophobicContact CD1-CG2 4.13Å; Y260-I306 HydrophobicContact CE1-CD1 3.79Å; A261-I306 HydrophobicContact CB-CG2 3.97Å; N302-I306 WeakPolarHBondContact ND2-CD1 3.37Å; N302-I306 VanDerWaalsContact O-CG1 3.26Å; N302-I306 WeakPolarHBondContact O-CG1 3.32Å; N302-I306 PolarHBondContact O-N 3.26Å; E303-I306 PolarHBondContact O-N 3.15Å; I306-T308 PolarHBondContact O-N 3.12Å; I306-R309 PolarHBondContact O-N 2.98Å; I306-Y310 PolarHBondContact O-N 3.37Å
307L94.7Very high92.7Very high4 Ų439.4 Ų39.42%0.02121%0.207CC..Hα-helixtrans-62.5-42.9179.117959.5000111.6A261 D265 M299 E303 D305 R309 Y310 F311A261-L307 WeakPolarHBondContact O-CD1 3.22Å; D265-L307 HydrophobicContact CB-CD1 3.82Å; M299-L307 HydrophobicContact CE-CB 4.11Å; M299-L307 HydrophobicContact CE-CD2 3.75Å; M299-L307 HydrophobicContact SD-CD2 4.23Å; E303-L307 WeakPolarHBondContact O-CB 3.37Å; E303-L307 PolarHBondContact O-N 3.37Å; D305-L307 VanDerWaalsContact C-N 3.33Å; D305-L307 PolarHBondContact O-N 3.27Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.57Å; L307-Y310 HydrophobicContact CD1-CD1 4.34Å; L307-Y310 WeakPolarHBondContact O-CB 3.43Å; L307-Y310 PolarHBondContact O-N 2.91Å; L307-F311 HydrophobicContact CD1-CD2 4.19Å; L307-F311 HydrophobicContact CD1-CE1 4.27Å; L307-F311 HydrophobicContact CD1-CE2 3.63Å; L307-F311 HydrophobicContact CD1-CZ 3.68Å; L307-F311 HydrophobicContact CD2-CE2 3.97Å; L307-F311 HydrophobicContact CD2-CZ 4.41Å; L307-F311 HydrophobicContact CG-CD2 4.04Å; L307-F311 HydrophobicContact CG-CE2 3.52Å; L307-F311 HydrophobicContact CG-CZ 4.07Å; L307-F311 VanDerWaalsContact O-CD2 3.29Å; L307-F311 WeakPolarHBondContact O-CD2 3.47Å; L307-F311 PolarHBondContact O-N 3.33Å
308T96.2Very high93Very high9 Ų938.2 Ų38.26%0.05520%0.199CC..Hα-helixtrans-60.6-41.9176.1-60.40000111.1P287 A290 L304 D305 I306 F311 Q312P287-T308 HydrophobicContact CB-CG2 4.36Å; P287-T308 HydrophobicContact CG-CG2 4.35Å; A290-T308 HydrophobicContact CB-CG2 4.21Å; A290-T308 VanDerWaalsContact CB-OG1 3.24Å; A290-T308 WeakPolarHBondContact CB-OG1 3.39Å; L304-T308 VanDerWaalsContact O-CB 3.24Å; L304-T308 WeakPolarHBondContact O-CB 3.48Å; L304-T308 PolarHBondContact O-N 3.02Å; L304-T308 PolarHBondContact O-OG1 3.21Å; D305-T308 PolarHBondContact O-N 3.45Å; I306-T308 PolarHBondContact O-N 3.12Å; T308-F311 PolarHBondContact O-N 3.34Å; T308-Q312 WeakPolarHBondContact O-CG 3.22Å; T308-Q312 PolarHBondContact O-N 2.92Å
309R95.7Very high92.8Very high31 Ų3140.6 Ų40.612%0.11721%0.21CC..Hα-helixtrans-67.5-42.6176.9-61.6-57.6152.9-163.1-13.1111.5W258 D305 I306 L307 F311 Q312 Y313W258-R309 HydrophobicContact CH2-CB 4.33Å; W258-R309 HydrophobicContact CZ3-CB 4.44Å; D305-R309 VanDerWaalsContact O-CG 3.3Å; D305-R309 WeakPolarHBondContact O-CG 3.38Å; D305-R309 PolarHBondContact O-N 3.36Å; I306-R309 PolarHBondContact O-N 2.98Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.57Å; R309-F311 VanDerWaalsContact C-N 3.29Å; R309-F311 PolarHBondContact O-N 3.06Å; R309-Q312 CarbonylContact O-C 3.54Å; R309-Q312 PolarHBondContact O-N 3.32Å; R309-Y313 HydrophobicContact CB-CD2 4.16Å; R309-Y313 HydrophobicContact CB-CE2 4.24Å; R309-Y313 WeakPolarHBondContact O-CD2 3.37Å; R309-Y313 PolarHBondContact O-N 3.2Å
310Y96.3Very high91.9Very high29 Ų2946.2 Ų46.211%0.11424%0.236CC..Hα-helixtrans-52.7-49173.3168.4-98.7000111.4W258 A261 E262 A278 I306 L307 Q312 Y313 N314W258-Y310 HydrophobicContact CB-CD2 3.87Å; W258-Y310 HydrophobicContact CB-CE2 4.1Å; W258-Y310 HydrophobicContact CD2-CD2 4.04Å; W258-Y310 AromaticContact CE3-CD2 3.93Å; W258-Y310 HydrophobicContact CE3-CD2 3.93Å; W258-Y310 HydrophobicContact CE3-CG 4.36Å; W258-Y310 HydrophobicContact CG-CD2 4.04Å; A261-Y310 HydrophobicContact CB-CD1 4.22Å; A261-Y310 HydrophobicContact CB-CD2 3.97Å; A261-Y310 HydrophobicContact CB-CG 3.59Å; E262-Y310 HydrophobicContact CG-CE1 4.16Å; E262-Y310 HydrophobicContact CG-CE2 3.72Å; E262-Y310 VanDerWaalsContact CG-CZ 3.44Å; E262-Y310 WeakPolarHBondContact CG-OH 3.44Å; E262-Y310 PolarHBondContact OE1-OH 3.38Å; A278-Y310 HydrophobicContact CB-CE1 3.97Å; I306-Y310 PolarHBondContact O-N 3.37Å; L307-Y310 HydrophobicContact CD1-CD1 4.34Å; L307-Y310 WeakPolarHBondContact O-CB 3.43Å; L307-Y310 PolarHBondContact O-N 2.91Å; Y310-Q312 VanDerWaalsContact C-N 3.35Å; Y310-Q312 PolarHBondContact O-N 3.13Å; Y310-Y313 PolarHBondContact O-N 3.43Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.34Å; Y310-N314 WeakPolarHBondContact O-CB 3.44Å; Y310-N314 PolarHBondContact O-N 3.06Å; Y310-N314 PolarHBondContact O-ND2 2.78Å
311F96.7Very high90.6Very high1 Ų149.1 Ų49.10%0.00424%0.241CC..Hα-helixtrans-61.3-41.7176-70.7-43.2000112.9D265 A278 W286 A290 M293 L307 T308 R309 N314 A315D265-F311 HydrophobicContact CB-CZ 4.48Å; D265-F311 WeakPolarHBondContact OD1-CZ 3.23Å; A278-F311 HydrophobicContact CB-CD1 3.84Å; W286-F311 HydrophobicContact CB-CB 4.16Å; W286-F311 HydrophobicContact CD2-CB 3.53Å; W286-F311 HydrophobicContact CD2-CD2 4.46Å; W286-F311 AromaticContact CD2-CG 3.99Å; W286-F311 HydrophobicContact CD2-CG 3.99Å; W286-F311 HydrophobicContact CE3-CB 3.78Å; W286-F311 HydrophobicContact CE3-CD1 4.33Å; W286-F311 AromaticContact CE3-CD2 3.82Å; W286-F311 HydrophobicContact CE3-CD2 3.82Å; W286-F311 HydrophobicContact CE3-CE2 4.45Å; W286-F311 AromaticContact CE3-CG 3.75Å; W286-F311 HydrophobicContact CE3-CG 3.75Å; W286-F311 HydrophobicContact CG-CB 3.71Å; W286-F311 AromaticContact CH2-CD1 3.88Å; W286-F311 HydrophobicContact CH2-CD1 3.88Å; W286-F311 HydrophobicContact CH2-CE1 4.13Å; W286-F311 HydrophobicContact CH2-CG 4.15Å; W286-F311 HydrophobicContact CZ2-CB 4.42Å; W286-F311 HydrophobicContact CZ2-CD1 4.16Å; W286-F311 HydrophobicContact CZ2-CG 4.4Å; W286-F311 HydrophobicContact CZ3-CB 4.3Å; W286-F311 AromaticContact CZ3-CD1 3.98Å; W286-F311 HydrophobicContact CZ3-CD1 3.98Å; W286-F311 AromaticContact CZ3-CD2 3.9Å; W286-F311 HydrophobicContact CZ3-CD2 3.9Å; W286-F311 HydrophobicContact CZ3-CE1 4.21Å; W286-F311 HydrophobicContact CZ3-CE2 4.12Å; W286-F311 AromaticContact CZ3-CG 3.82Å; W286-F311 HydrophobicContact CZ3-CG 3.82Å; W286-F311 HydrophobicContact CZ3-CZ 4.27Å; W286-F311 PolarHBondContact NE1-O 3.49Å; A290-F311 HydrophobicContact CB-CD2 4.33Å; M293-F311 HydrophobicContact CE-CE2 4.09Å; M293-F311 HydrophobicContact CE-CZ 4.46Å; L307-F311 HydrophobicContact CD1-CD2 4.19Å; L307-F311 HydrophobicContact CD1-CE1 4.27Å; L307-F311 HydrophobicContact CD1-CE2 3.63Å; L307-F311 HydrophobicContact CD1-CZ 3.68Å; L307-F311 HydrophobicContact CD2-CE2 3.97Å; L307-F311 HydrophobicContact CD2-CZ 4.41Å; L307-F311 HydrophobicContact CG-CD2 4.04Å; L307-F311 HydrophobicContact CG-CE2 3.52Å; L307-F311 HydrophobicContact CG-CZ 4.07Å; L307-F311 VanDerWaalsContact O-CD2 3.29Å; L307-F311 WeakPolarHBondContact O-CD2 3.47Å; L307-F311 PolarHBondContact O-N 3.33Å; T308-F311 PolarHBondContact O-N 3.34Å; R309-F311 VanDerWaalsContact C-N 3.29Å; R309-F311 PolarHBondContact O-N 3.06Å; F311-N314 CarbonylContact O-C 3.49Å; F311-N314 PolarHBondContact O-N 2.88Å; F311-A315 WeakPolarHBondContact O-CA 3.13Å; F311-A315 WeakPolarHBondContact O-CB 3.16Å; F311-A315 PolarHBondContact O-N 3.41Å
312Q96.9Very high89.3Confident0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-68.1-42.4178.7-71.9-170.8-70.500112.8R208 L209 V283 W286 P287 T308 R309 Y310 N314 A315 I318R208-Q312 PolarHBondContact O-NE2 3.28Å; L209-Q312 HydrophobicContact CD1-CB 3.68Å; L209-Q312 HydrophobicContact CG-CB 3.98Å; V283-Q312 HydrophobicContact CG1-CB 4.34Å; V283-Q312 HydrophobicContact CG1-CG 4.42Å; V283-Q312 PolarHBondContact O-NE2 3.07Å; W286-Q312 HydrophobicContact CB-CG 3.86Å; P287-Q312 HydrophobicContact CG-CG 4.4Å; P287-Q312 VanDerWaalsContact CG-NE2 3.29Å; T308-Q312 WeakPolarHBondContact O-CG 3.22Å; T308-Q312 PolarHBondContact O-N 2.92Å; R309-Q312 CarbonylContact O-C 3.54Å; R309-Q312 PolarHBondContact O-N 3.32Å; Y310-Q312 VanDerWaalsContact C-N 3.35Å; Y310-Q312 PolarHBondContact O-N 3.13Å; Q312-N314 PolarHBondContact O-N 3.5Å; Q312-A315 VanDerWaalsContact O-CB 3.3Å; Q312-A315 WeakPolarHBondContact O-CB 3.04Å; Q312-A315 PolarHBondContact O-N 3.32Å; Q312-I318 WeakPolarHBondContact O-CG1 3.46Å
313Y95.9Very high89.3Confident3 Ų346.3 Ų46.31%0.01223%0.227CC..Hα-helixtrans-68.8-22.7177.4-81.8-73.7000113G172 L203 L209 L211 W258 R309 Y310 I318G172-Y313 PolarHBondContact O-OH 3.37Å; L203-Y313 HydrophobicContact CD1-CE1 4.21Å; L203-Y313 HydrophobicContact CD2-CD1 4.24Å; L203-Y313 HydrophobicContact CD2-CE1 3.92Å; L209-Y313 HydrophobicContact CD1-CD1 4.01Å; L209-Y313 HydrophobicContact CD1-CD2 4.02Å; L209-Y313 HydrophobicContact CD1-CE1 4Å; L209-Y313 HydrophobicContact CD1-CE2 4Å; L209-Y313 HydrophobicContact CD1-CG 4.01Å; L209-Y313 HydrophobicContact CD2-CE2 3.99Å; L211-Y313 VanDerWaalsContact CD2-OH 3.32Å; L211-Y313 WeakPolarHBondContact CD2-OH 3.39Å; W258-Y313 AromaticContact CH2-CD2 3.4Å; W258-Y313 HydrophobicContact CH2-CD2 3.4Å; W258-Y313 AromaticContact CH2-CE2 3.92Å; W258-Y313 HydrophobicContact CH2-CE2 3.92Å; W258-Y313 HydrophobicContact CH2-CG 4.15Å; W258-Y313 AromaticContact CZ2-CD2 3.54Å; W258-Y313 HydrophobicContact CZ2-CD2 3.54Å; W258-Y313 HydrophobicContact CZ2-CE2 4.16Å; W258-Y313 AromaticContact CZ2-CG 3.84Å; W258-Y313 HydrophobicContact CZ2-CG 3.84Å; R309-Y313 HydrophobicContact CB-CD2 4.16Å; R309-Y313 HydrophobicContact CB-CE2 4.24Å; R309-Y313 WeakPolarHBondContact O-CD2 3.37Å; R309-Y313 PolarHBondContact O-N 3.2Å; Y310-Y313 PolarHBondContact O-N 3.43Å; Y313-I318 WeakPolarHBondContact O-CG2 3.44Å
314N95.5Very high89.2Confident27 Ų2747.7 Ų47.714%0.14423%0.234CC..THydrogen-bonded Turntrans-107.513.2177.9-69.5-77.6000113.2A278 D279 Y310 F311 Q312A278-N314 CarbonylContact C-O 3.53Å; A278-N314 HydrophobicContact CB-CB 3.56Å; D279-N314 WeakPolarHBondContact CA-O 3.49Å; D279-N314 PolarHBondContact N-O 3.47Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.34Å; Y310-N314 WeakPolarHBondContact O-CB 3.44Å; Y310-N314 PolarHBondContact O-N 3.06Å; Y310-N314 PolarHBondContact O-ND2 2.78Å; F311-N314 CarbonylContact O-C 3.49Å; F311-N314 PolarHBondContact O-N 2.88Å; Q312-N314 PolarHBondContact O-N 3.5Å
315A96.6Very high89Confident0 Ų048.3 Ų48.30%024%0.236CC..SBendtrans-65.4160.2-179.300000112.4A278 V283 F311 Q312 D317 I318A278-A315 WeakPolarHBondContact O-CA 3.42Å; V283-A315 HydrophobicContact CB-CB 4.36Å; V283-A315 HydrophobicContact CG2-CB 3.69Å; F311-A315 WeakPolarHBondContact O-CA 3.13Å; F311-A315 WeakPolarHBondContact O-CB 3.16Å; F311-A315 PolarHBondContact O-N 3.41Å; Q312-A315 VanDerWaalsContact O-CB 3.3Å; Q312-A315 WeakPolarHBondContact O-CB 3.04Å; Q312-A315 PolarHBondContact O-N 3.32Å; A315-D317 PolarHBondContact O-N 3.46Å; A315-I318 HydrophobicContact CB-CG1 4.23Å; A315-I318 PolarHBondContact O-N 3.38Å; A315-I318 VanDerWaalsContact O-N 3.16Å
316K95.1Very high88.8Confident121 Ų12147.8 Ų47.853%0.52623%0.232SC..THydrogen-bonded Turntrans-64.8-25.3-172.875.4-173.5173.5-176.70115.4D279 Y281 T282D279-K316 VanDerWaalsContact O-CB 3.23Å; D279-K316 WeakPolarHBondContact O-CB 3.34Å; Y281-K316 PolarHBondContact O-N 3.31Å; Y281-K316 VanDerWaalsContact O-N 3.15Å; T282-K316 HydrophobicContact CG2-CD 4.37Å; T282-K316 HydrophobicContact CG2-CG 4.25Å
317D93.9Very high88.4Confident56 Ų5650.8 Ų50.830%0.29925%0.247SC..THydrogen-bonded Turntrans-10310.6-178.257.9-28.8000112.7Q207 T282 V283 A315Q207-D317 PolarHBondContact NE2-O 2.67Å; Q207-D317 VanDerWaalsContact NE2-O 3.13Å; T282-D317 WeakPolarHBondContact CA-OD1 3.41Å; T282-D317 WeakPolarHBondContact CB-OD1 3.48Å; T282-D317 VanDerWaalsContact CB-OD2 3.31Å; T282-D317 WeakPolarHBondContact CB-OD2 3.3Å; V283-D317 WeakPolarHBondContact CG2-OD1 3.44Å; V283-D317 PolarHBondContact N-OD1 3.13Å; A315-D317 PolarHBondContact O-N 3.46Å
318I92Very high88Confident15 Ų1553.9 Ų53.98%0.07726%0.262CS..  trans-83.4119.5162.7-66.1-64.4000109L203 V283 Q312 Y313 A315 E320L203-I318 HydrophobicContact CD2-CD1 4.05Å; V283-I318 HydrophobicContact CG2-CD1 3.37Å; V283-I318 HydrophobicContact CG2-CG1 3.5Å; Q312-I318 WeakPolarHBondContact O-CG1 3.46Å; Y313-I318 WeakPolarHBondContact O-CG2 3.44Å; A315-I318 HydrophobicContact CB-CG1 4.23Å; A315-I318 PolarHBondContact O-N 3.38Å; A315-I318 VanDerWaalsContact O-N 3.16Å; I318-E320 VanDerWaalsContact CG2-O 3.28Å; I318-E320 WeakPolarHBondContact CG2-O 3.02Å
319T79.9Confident87.4Confident138 Ų13857.1 Ų57.185%0.84728%0.276SS*.SBendtrans-80.1-29.5-179.550.90000113.2
320E69.1Low86.8Confident144 Ų14459.1 Ų59.167%0.67329%0.289SS*.SBendtrans-108.581.9174.7-69.5-176.2-177.900109.5I318 Q322I318-E320 VanDerWaalsContact CG2-O 3.28Å; I318-E320 WeakPolarHBondContact CG2-O 3.02Å; E320-Q322 PolarHBondContact O-NE2 2.83Å
321K60.1Low86Confident118 Ų11861.6 Ų61.651%0.51330%0.303SS..  trans-60.5139.2171.9-64.6-169.3176-168.10109.4D279D279-K321 IonicContact OD2-NZ 3.51Å; D279-K321 PolarHBondContact OD2-NZ 3.19Å
322Q60Low85Confident116 Ų11667.1 Ų67.154%0.54233%0.33SS..  trans-110.10-170.7-61.3-74.1-4300111.6R254 E320R254-Q322 VanDerWaalsContact NH2-OE1 3.08Å; E320-Q322 PolarHBondContact O-NE2 2.83Å

Retrieved 322 of 322 residues in 407.4 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).