A0A077YYJ4_TRITR Loading...

Extracellular sulfatase Sulf 1

AlphaFold DB , UniProt , Accession A0A077YYJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 608 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
1M51Low72.9Confident32 Ų3247 Ų4716%0.15823%0.233CC..  080.40-74.3-176.5-167.600111.5G3 S4 P169 S237 K261 V607M1-G3 PolarHBondContact O-N 2.95Å; M1-G3 VanDerWaalsContact O-N 3.07Å; M1-S4 WeakPolarHBondContact CB-OG 3.26Å; M1-P169 HydrophobicContact CE-CG 3.86Å; M1-S237 WeakPolarHBondContact CE-OG 3.41Å; M1-K261 PolarHBondContact N-O 3.37Å; M1-K261 VanDerWaalsContact N-O 3.1Å; M1-V607 HydrophobicContact CE-CG2 4.11Å; M1-V607 HydrophobicContact SD-CG2 4.39Å
2L50.9Low74Confident100 Ų10047.9 Ų47.952%0.52424%0.239SC..THydrogen-bonded Turntrans-76.299.4-179.3-67.5160.9000109.7R204 F258L2-R204 PolarHBondContact O-NH2 2.85Å; L2-F258 HydrophobicContact CD1-CB 4.43Å
3G62.4Low75Confident20 Ų2051.5 Ų51.521%0.20625%0.254CS..THydrogen-bonded Turntrans102.68.9176.300000116.4M1 M5 E6M1-G3 PolarHBondContact O-N 2.95Å; M1-G3 VanDerWaalsContact O-N 3.07Å; G3-M5 VanDerWaalsContact C-N 3.28Å; G3-M5 PolarHBondContact O-N 3.17Å; G3-E6 WeakPolarHBondContact CA-OE2 3.25Å; G3-E6 WeakPolarHBondContact O-CB 3.47Å; G3-E6 PolarHBondContact O-N 3.49Å
4S69.6Low75.7Confident12 Ų1247.9 Ų47.98%0.08424%0.237CC..Hα-helixtrans-61.7-37.6176.653.60000112.4M1 E6 C7 M8M1-S4 WeakPolarHBondContact CB-OG 3.26Å; S4-E6 PolarHBondContact O-N 3.27Å; S4-C7 WeakPolarHBondContact O-CA 3.47Å; S4-C7 WeakPolarHBondContact O-CB 3.47Å; S4-C7 PolarHBondContact O-N 2.97Å; S4-M8 PolarHBondContact O-N 3.42Å
5M79.7Confident76.3Confident20 Ų2044.7 Ų44.710%0.09922%0.221CC..Hα-helixtrans-65.2-26.6176.9-65-54-66.800113.2G3 C7 M8 T11 L12 Y235 P263 F265G3-M5 VanDerWaalsContact C-N 3.28Å; G3-M5 PolarHBondContact O-N 3.17Å; M5-C7 PolarHBondContact O-N 3.13Å; M5-M8 CarbonylContact O-C 3.57Å; M5-M8 PolarHBondContact O-N 3.48Å; M5-T11 HydrophobicContact CE-CG2 4.27Å; M5-L12 HydrophobicContact CE-CB 4.11Å; M5-L12 HydrophobicContact CE-CD1 4.06Å; M5-Y235 HydrophobicContact CE-CD1 4.37Å; M5-Y235 HydrophobicContact CE-CE1 4.14Å; M5-Y235 HydrophobicContact SD-CD1 4.09Å; M5-Y235 HydrophobicContact SD-CE1 3.36Å; M5-Y235 WeakPolarHBondContact SD-CE1 3.45Å; M5-P263 HydrophobicContact CG-CB 3.96Å; M5-P263 HydrophobicContact SD-CB 4.12Å; M5-F265 HydrophobicContact CE-CD2 4.27Å; M5-F265 HydrophobicContact CE-CE2 3.86Å; M5-F265 HydrophobicContact CE-CZ 4.08Å; M5-F265 HydrophobicContact CG-CE2 3.8Å; M5-F265 HydrophobicContact CG-CZ 4.09Å; M5-F265 HydrophobicContact SD-CE2 4.05Å
6E76.9Confident76.6Confident96 Ų9644.2 Ų44.245%0.44922%0.223SC..Hα-helixtrans-66.3-28.7173.6-58.4170162.100111.5G3 S4 K9 I188G3-E6 WeakPolarHBondContact CA-OE2 3.25Å; G3-E6 WeakPolarHBondContact O-CB 3.47Å; G3-E6 PolarHBondContact O-N 3.49Å; S4-E6 PolarHBondContact O-N 3.27Å; E6-K9 WeakPolarHBondContact O-CE 3.37Å; E6-K9 WeakPolarHBondContact O-CG 3.05Å; E6-I188 HydrophobicContact CB-CG2 4.38Å
7C76.1Confident76.4Confident8 Ų845.5 Ų45.55%0.05423%0.228CC..Hα-helixtrans-84.2-13.7172.7-64.70000113S4 M5 F183 C208S4-C7 WeakPolarHBondContact O-CA 3.47Å; S4-C7 WeakPolarHBondContact O-CB 3.47Å; S4-C7 PolarHBondContact O-N 2.97Å; M5-C7 PolarHBondContact O-N 3.13Å; C7-F183 HydrophobicContact CB-CE1 4.11Å; C7-F183 HydrophobicContact CB-CZ 4.14Å; C7-C208 HydrophobicContact CB-CB 3.57Å; C7-C208 WeakPolarHBondContact CB-SG 3.28Å; C7-C208 WeakPolarHBondContact SG-CB 3.45Å; C7-C208 CovalentContact SG-SG 2.04Å; C7-C208 PolarHBondContact SG-SG 3.44Å
8M81.6Confident76.5Confident0 Ų045.4 Ų45.40%023%0.227CC..  trans-113.145.8-178.6-61.5-176.459.900112.9S4 M5 K10 T11 L12 L211 T214 S215 Y235S4-M8 PolarHBondContact O-N 3.42Å; M5-M8 CarbonylContact O-C 3.57Å; M5-M8 PolarHBondContact O-N 3.48Å; M8-K10 PolarHBondContact O-N 3.15Å; M8-K10 VanDerWaalsContact O-N 3.12Å; M8-T11 HydrophobicContact CE-CG2 4.19Å; M8-T11 WeakPolarHBondContact CE-OG1 3.07Å; M8-T11 WeakPolarHBondContact O-CA 3.34Å; M8-T11 WeakPolarHBondContact O-CB 3.45Å; M8-T11 PolarHBondContact O-N 3.27Å; M8-L12 PolarHBondContact O-N 3.26Å; M8-L211 HydrophobicContact CG-CB 3.84Å; M8-L211 HydrophobicContact CG-CD1 4.25Å; M8-L211 HydrophobicContact CG-CG 4.45Å; M8-L211 HydrophobicContact SD-CB 4.06Å; M8-L211 HydrophobicContact SD-CD1 4.12Å; M8-L211 HydrophobicContact SD-CD2 3.76Å; M8-L211 HydrophobicContact SD-CG 4.18Å; M8-T214 HydrophobicContact CE-CG2 3.86Å; M8-S215 WeakPolarHBondContact CA-OG 3.42Å; M8-S215 PolarHBondContact O-OG 3.44Å; M8-Y235 HydrophobicContact CE-CE2 3.89Å; M8-Y235 WeakPolarHBondContact CE-OH 3.41Å; M8-Y235 PolarHBondContact SD-OH 2.92Å
9K84.2Confident77.1Confident139 Ų13943.1 Ų43.160%0.60422%0.215SC*.Hα-helixtrans-53-38.2-173.4-62.6-173.6178.8-179.50114E6 T11 L12 H13E6-K9 WeakPolarHBondContact O-CE 3.37Å; E6-K9 WeakPolarHBondContact O-CG 3.05Å; K9-T11 VanDerWaalsContact C-N 3.35Å; K9-L12 PolarHBondContact O-N 3.35Å; K9-H13 WeakPolarHBondContact O-CB 3.1Å; K9-H13 PolarHBondContact O-N 3.12Å
10K84.5Confident77.8Confident90 Ų9041 Ų4139%0.39121%0.205SC..Hα-helixtrans-68.5-35179.3-61.2-179.4170-176.70112.2M8 S215 C216 N220M8-K10 PolarHBondContact O-N 3.15Å; M8-K10 VanDerWaalsContact O-N 3.12Å; K10-S215 PolarHBondContact N-OG 3.01Å; K10-C216 PolarHBondContact NZ-SG 2.67Å; K10-N220 PolarHBondContact NZ-ND2 3.08Å
11T85.3Confident78.5Confident0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-69.3-46.1173.4-58.20000110.5M5 M8 K9 H13 I14 F15 S215 V218 Y235M5-T11 HydrophobicContact CE-CG2 4.27Å; M8-T11 HydrophobicContact CE-CG2 4.19Å; M8-T11 WeakPolarHBondContact CE-OG1 3.07Å; M8-T11 WeakPolarHBondContact O-CA 3.34Å; M8-T11 WeakPolarHBondContact O-CB 3.45Å; M8-T11 PolarHBondContact O-N 3.27Å; K9-T11 VanDerWaalsContact C-N 3.35Å; T11-H13 PolarHBondContact O-N 2.68Å; T11-I14 WeakPolarHBondContact O-CB 3.43Å; T11-I14 PolarHBondContact O-N 3.25Å; T11-I14 VanDerWaalsContact O-N 3.08Å; T11-F15 HydrophobicContact CG2-CE2 4.14Å; T11-F15 WeakPolarHBondContact O-CD2 3.5Å; T11-S215 PolarHBondContact N-OG 2.91Å; T11-S215 WeakPolarHBondContact OG1-CA 3.48Å; T11-S215 PolarHBondContact OG1-OG 3.27Å; T11-V218 HydrophobicContact CG2-CB 4.41Å; T11-V218 HydrophobicContact CG2-CG1 3.69Å; T11-Y235 HydrophobicContact CG2-CD2 4.28Å; T11-Y235 HydrophobicContact CG2-CE2 4.39Å; T11-Y235 HydrophobicContact CG2-CG 4.5Å
12L85.8Confident80.5Confident58 Ų5840.7 Ų40.730%0.30420%0.202SC..Hα-helixtrans-57.8-37.1177.1-174.261.8000111.5M5 M8 K9 I14 F15 S16 F265M5-L12 HydrophobicContact CE-CB 4.11Å; M5-L12 HydrophobicContact CE-CD1 4.06Å; M8-L12 PolarHBondContact O-N 3.26Å; K9-L12 PolarHBondContact O-N 3.35Å; L12-I14 VanDerWaalsContact C-N 3.29Å; L12-I14 PolarHBondContact O-N 2.97Å; L12-F15 PolarHBondContact O-N 2.92Å; L12-F15 VanDerWaalsContact O-N 3.09Å; L12-S16 PolarHBondContact O-N 3.07Å; L12-F265 HydrophobicContact CD1-CE1 3.75Å; L12-F265 HydrophobicContact CD1-CZ 3.99Å
13H86.4Confident82.5Confident94 Ų9440.1 Ų40.144%0.43520%0.197SC..Hα-helixtrans-61.5-32.3177.4-177.651.5000113.4K9 T11 F15 S16 E17K9-H13 WeakPolarHBondContact O-CB 3.1Å; K9-H13 PolarHBondContact O-N 3.12Å; T11-H13 PolarHBondContact O-N 2.68Å; H13-F15 PolarHBondContact O-N 3.43Å; H13-S16 WeakPolarHBondContact CA-OG 3.03Å; H13-S16 PolarHBondContact ND1-OG 3.37Å; H13-S16 PolarHBondContact O-N 3.11Å; H13-S16 PolarHBondContact O-OG 3.03Å; H13-E17 IonicContact CE1-OE1 3.75Å; H13-E17 PolarHBondContact CE1-OE1 3.23Å; H13-E17 IonicContact NE2-OE1 3.43Å
14I84.8Confident84Confident1 Ų139.3 Ų39.31%0.00519%0.189CC..Hα-helixtrans-61.6-35.3174.9-68-177.2000111.9T11 L12 E17 V218 A223 L226 F233 R267T11-I14 WeakPolarHBondContact O-CB 3.43Å; T11-I14 PolarHBondContact O-N 3.25Å; T11-I14 VanDerWaalsContact O-N 3.08Å; L12-I14 VanDerWaalsContact C-N 3.29Å; L12-I14 PolarHBondContact O-N 2.97Å; I14-E17 VanDerWaalsContact O-O 3.13Å; I14-V218 HydrophobicContact CD1-CG1 4.05Å; I14-V218 WeakPolarHBondContact CD1-O 3.48Å; I14-A223 HydrophobicContact CD1-CB 4.27Å; I14-L226 HydrophobicContact CD1-CD1 3.82Å; I14-L226 HydrophobicContact CG2-CB 4.1Å; I14-F233 HydrophobicContact CG2-CD1 4.01Å; I14-F233 HydrophobicContact CG2-CE1 4.08Å; I14-R267 WeakPolarHBondContact O-CD 3.3Å; I14-R267 PolarHBondContact O-NH1 2.96Å
15F85.7Confident85.2Confident0 Ų038.8 Ų38.80%019%0.185CC..Hα-helixtrans-86.7-22.5177.4-62-72.4000113.1T11 L12 H13 E17 G19 F233 Y235 F265 R267 L279T11-F15 HydrophobicContact CG2-CE2 4.14Å; T11-F15 WeakPolarHBondContact O-CD2 3.5Å; L12-F15 PolarHBondContact O-N 2.92Å; L12-F15 VanDerWaalsContact O-N 3.09Å; H13-F15 PolarHBondContact O-N 3.43Å; F15-E17 CarbonylContact C-O 3.56Å; F15-E17 CarbonylContact O-C 3.57Å; F15-E17 PolarHBondContact O-N 2.56Å; F15-G19 VanDerWaalsContact O-CA 3.23Å; F15-G19 WeakPolarHBondContact O-CA 3.31Å; F15-G19 PolarHBondContact O-N 3.39Å; F15-F233 HydrophobicContact CD1-CD1 4.48Å; F15-F233 HydrophobicContact CD2-CE1 4.48Å; F15-F233 AromaticContact CE1-CD1 3.5Å; F15-F233 HydrophobicContact CE1-CD1 3.5Å; F15-F233 AromaticContact CE1-CE1 3.75Å; F15-F233 HydrophobicContact CE1-CE1 3.75Å; F15-F233 HydrophobicContact CE1-CG 4.33Å; F15-F233 HydrophobicContact CE2-CD1 4.13Å; F15-F233 AromaticContact CE2-CE1 3.48Å; F15-F233 HydrophobicContact CE2-CE1 3.48Å; F15-F233 VanDerWaalsContact CE2-CE1 3.48Å; F15-F233 HydrophobicContact CE2-CZ 4.16Å; F15-F233 AromaticContact CZ-CD1 3.3Å; F15-F233 HydrophobicContact CZ-CD1 3.3Å; F15-F233 AromaticContact CZ-CE1 3.02Å; F15-F233 HydrophobicContact CZ-CE1 3.02Å; F15-F233 HydrophobicContact CZ-CG 4.21Å; F15-F233 AromaticContact CZ-CZ 3.75Å; F15-F233 HydrophobicContact CZ-CZ 3.75Å; F15-Y235 HydrophobicContact CE2-CG 4.32Å; F15-F265 HydrophobicContact CB-CD1 4.01Å; F15-F265 HydrophobicContact CD1-CB 3.75Å; F15-F265 HydrophobicContact CD1-CD1 4.47Å; F15-F265 HydrophobicContact CD2-CB 3.85Å; F15-F265 HydrophobicContact CD2-CD1 4Å; F15-F265 HydrophobicContact CD2-CG 4.03Å; F15-F265 HydrophobicContact CE1-CB 3.57Å; F15-F265 HydrophobicContact CE2-CB 3.67Å; F15-F265 HydrophobicContact CE2-CG 4.17Å; F15-F265 HydrophobicContact CG-CB 3.88Å; F15-F265 AromaticContact CG-CD1 3.92Å; F15-F265 HydrophobicContact CG-CD1 3.92Å; F15-F265 HydrophobicContact CG-CG 4.21Å; F15-F265 HydrophobicContact CZ-CB 3.51Å; F15-F265 HydrophobicContact CZ-CG 4.48Å; F15-R267 HydrophobicContact CD1-CB 3.87Å; F15-R267 HydrophobicContact CE1-CB 3.94Å; F15-L279 HydrophobicContact CB-CD1 4.03Å; F15-L279 WeakPolarHBondContact O-CD1 3.36Å
16S80.3Confident86Confident37 Ų3737.8 Ų37.826%0.25918%0.18SC..Hα-helixtrans-57.9-34.5-17970.10000112.5L12 H13 L279L12-S16 PolarHBondContact O-N 3.07Å; H13-S16 WeakPolarHBondContact CA-OG 3.03Å; H13-S16 PolarHBondContact ND1-OG 3.37Å; H13-S16 PolarHBondContact O-N 3.11Å; H13-S16 PolarHBondContact O-OG 3.03Å; S16-L279 PolarHBondContact O-N 3.01Å
17E73.8Confident87Confident67 Ų6733.2 Ų33.231%0.31316%0.159SC..THydrogen-bonded Turntrans-95.8129167.9-64.2163.3-172.200106.9H13 I14 F15 G19 K227 R267H13-E17 IonicContact CE1-OE1 3.75Å; H13-E17 PolarHBondContact CE1-OE1 3.23Å; H13-E17 IonicContact NE2-OE1 3.43Å; I14-E17 VanDerWaalsContact O-O 3.13Å; F15-E17 CarbonylContact C-O 3.56Å; F15-E17 CarbonylContact O-C 3.57Å; F15-E17 PolarHBondContact O-N 2.56Å; E17-G19 PolarHBondContact O-N 3.27Å; E17-K227 IonicContact OE2-NZ 3.38Å; E17-K227 PolarHBondContact OE2-NZ 3.3Å; E17-R267 PolarHBondContact O-NH1 3.26Å
18E77.2Confident87.9Confident44 Ų4432.9 Ų32.921%0.20616%0.156CC..THydrogen-bonded Turntrans52.630.2167.2-52.1175.4161.800116.4R267 F272E18-R267 WeakPolarHBondContact O-CG 3.38Å; E18-R267 IonicContact OE2-CZ 3.38Å; E18-R267 IonicContact OE2-NH1 3.54Å; E18-R267 IonicContact OE2-NH2 2.91Å; E18-R267 PolarHBondContact OE2-NH2 2.98Å; E18-F272 VanDerWaalsContact CA-CE2 3.45Å; E18-F272 HydrophobicContact CB-CB 3.88Å; E18-F272 HydrophobicContact CB-CD2 3.49Å; E18-F272 VanDerWaalsContact CB-CD2 3.49Å; E18-F272 HydrophobicContact CB-CE2 4.19Å; E18-F272 HydrophobicContact CB-CG 3.69Å; E18-F272 HydrophobicContact CG-CB 3.76Å; E18-F272 HydrophobicContact CG-CD2 4.28Å; E18-F272 HydrophobicContact CG-CG 3.96Å; E18-F272 WeakPolarHBondContact O-CD2 3.46Å; E18-F272 WeakPolarHBondContact O-CE2 3.31Å
19G87.8Confident88.5Confident0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-113.4169.517200000112.9F15 E17 A266 F272 L280F15-G19 VanDerWaalsContact O-CA 3.23Å; F15-G19 WeakPolarHBondContact O-CA 3.31Å; F15-G19 PolarHBondContact O-N 3.39Å; E17-G19 PolarHBondContact O-N 3.27Å; G19-A266 CarbonylContact C-O 3.48Å; G19-A266 WeakPolarHBondContact CA-O 3.07Å; G19-F272 WeakPolarHBondContact O-CZ 3.33Å; G19-L280 PolarHBondContact O-N 2.86Å
20A91.1Very high89Confident1 Ų126.3 Ų26.31%0.00813%0.128CC..EExtended strand (participates in β ladder)trans-125.3140.916800000110.3F265 A266 L280 I282 L316A20-F265 WeakPolarHBondContact O-CA 3.43Å; A20-A266 PolarHBondContact N-O 3.19Å; A20-A266 PolarHBondContact O-N 3.01Å; A20-L280 CarbonylContact C-O 3.5Å; A20-L280 WeakPolarHBondContact CA-O 3.32Å; A20-L280 HydrophobicContact CB-CB 4.07Å; A20-L280 HydrophobicContact CB-CD2 4.23Å; A20-L280 HydrophobicContact CB-CG 4.34Å; A20-I282 HydrophobicContact CB-CD1 4.13Å; A20-L316 HydrophobicContact CB-CD2 3.5Å
21E92.7Very high89.3Confident64 Ų6423 Ų2330%0.29911%0.114SC..EExtended strand (participates in β ladder)trans-112123.4170.8176.9179.6-168.900108.6Q23 F265 L279 L280 I282E21-Q23 PolarHBondContact O-N 2.71Å; E21-F265 HydrophobicContact CB-CD1 3.83Å; E21-F265 HydrophobicContact CB-CE1 3.58Å; E21-F265 HydrophobicContact CB-CZ 4.26Å; E21-F265 HydrophobicContact CG-CD1 4.15Å; E21-F265 HydrophobicContact CG-CE1 3.59Å; E21-F265 HydrophobicContact CG-CE2 4.42Å; E21-F265 HydrophobicContact CG-CZ 3.73Å; E21-L279 HydrophobicContact CB-CD1 4.09Å; E21-L279 HydrophobicContact CB-CD2 3.98Å; E21-L279 HydrophobicContact CB-CG 4.1Å; E21-L280 PolarHBondContact N-O 3.49Å; E21-I282 PolarHBondContact O-N 3.44Å
22F94.2Very high89.6Confident3 Ų323 Ų231%0.01311%0.114CC..EExtended strand (participates in β ladder)trans-83.8111.4164.5-64.6-90.2000108.4S24 F264 I282 V286 F312 L315 L316F22-S24 PolarHBondContact O-N 2.84Å; F22-F264 HydrophobicContact CB-CB 4.23Å; F22-F264 AromaticContact CD2-CD1 3.73Å; F22-F264 HydrophobicContact CD2-CD1 3.73Å; F22-F264 HydrophobicContact CD2-CE1 4.32Å; F22-F264 HydrophobicContact CE2-CD1 4.29Å; F22-F264 HydrophobicContact CE2-CE1 4.48Å; F22-F264 HydrophobicContact CG-CD1 4.47Å; F22-F264 PolarHBondContact N-O 2.95Å; F22-I282 WeakPolarHBondContact CA-O 3.27Å; F22-I282 HydrophobicContact CD1-CB 3.88Å; F22-I282 HydrophobicContact CD1-CD1 4.41Å; F22-I282 HydrophobicContact CD1-CG2 3.74Å; F22-I282 HydrophobicContact CE1-CB 4.16Å; F22-I282 HydrophobicContact CE1-CD1 3.93Å; F22-I282 HydrophobicContact CE1-CG2 3.82Å; F22-I282 HydrophobicContact CZ-CD1 4.14Å; F22-V286 HydrophobicContact CB-CG2 3.61Å; F22-V286 HydrophobicContact CD1-CB 4.37Å; F22-V286 HydrophobicContact CD1-CG1 3.44Å; F22-V286 VanDerWaalsContact CD1-CG1 3.44Å; F22-V286 HydrophobicContact CD1-CG2 3.98Å; F22-V286 HydrophobicContact CD2-CG2 4.13Å; F22-V286 HydrophobicContact CE1-CG1 3.51Å; F22-V286 HydrophobicContact CG-CB 4.48Å; F22-V286 HydrophobicContact CG-CG1 3.97Å; F22-V286 HydrophobicContact CG-CG2 3.65Å; F22-V286 HydrophobicContact CZ-CG1 4.08Å; F22-F312 AromaticContact CE2-CD2 3.85Å; F22-F312 HydrophobicContact CE2-CD2 3.85Å; F22-F312 HydrophobicContact CE2-CE2 4.01Å; F22-F312 HydrophobicContact CE2-CG 4.37Å; F22-F312 HydrophobicContact CZ-CB 4.09Å; F22-F312 AromaticContact CZ-CD2 3.6Å; F22-F312 HydrophobicContact CZ-CD2 3.6Å; F22-F312 HydrophobicContact CZ-CE2 4.24Å; F22-F312 AromaticContact CZ-CG 3.92Å; F22-F312 HydrophobicContact CZ-CG 3.92Å; F22-L315 HydrophobicContact CE1-CD2 3.84Å; F22-L316 HydrophobicContact CE2-CD2 3.75Å; F22-L316 HydrophobicContact CE2-CG 4.26Å; F22-L316 HydrophobicContact CZ-CD1 4.44Å; F22-L316 HydrophobicContact CZ-CD2 3.55Å; F22-L316 HydrophobicContact CZ-CG 3.81Å
23Q92.3Very high90Very high88 Ų8820.2 Ų20.241%0.41110%0.1SC..THydrogen-bonded Turntrans-65-14.4-178.5-62.4-175.7-47.900112.7E21 K261 A281 I282E21-Q23 PolarHBondContact O-N 2.71Å; Q23-K261 WeakPolarHBondContact O-CE 3.34Å; Q23-K261 PolarHBondContact O-NZ 2.88Å; Q23-A281 HydrophobicContact CG-CB 4.27Å; Q23-I282 PolarHBondContact N-O 3.29Å
24S93.6Very high90.3Very high4 Ų415.8 Ų15.83%0.0288%0.079CC..THydrogen-bonded Turntrans-129.357.6-173.3-60.40000111.3F22 F26 L283 P285 V286 V530F22-S24 PolarHBondContact O-N 2.84Å; S24-F26 WeakPolarHBondContact O-CD2 3.35Å; S24-F26 WeakPolarHBondContact O-CE2 3.49Å; S24-L283 PolarHBondContact OG-O 3.07Å; S24-P285 VanDerWaalsContact O-CA 3.3Å; S24-P285 WeakPolarHBondContact O-CA 3.45Å; S24-V286 PolarHBondContact O-N 3.09Å; S24-V530 WeakPolarHBondContact OG-CG1 3.2Å
25G95.8Very high90.8Very high0 Ų015.7 Ų15.70%08%0.079CC..EExtended strand (participates in β ladder)trans-86.5128.9170.900000112.8K261 V262 V286G25-K261 WeakPolarHBondContact O-CA 3.47Å; G25-V262 PolarHBondContact O-N 3.45Å; G25-V286 WeakPolarHBondContact CA-O 3.27Å
26F96.7Very high91.3Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-127.7138.6-176.1-60.2-72.3000113.5S24 V260 K261 P285 V286 A287 N288 V338 R528 V530S24-F26 WeakPolarHBondContact O-CD2 3.35Å; S24-F26 WeakPolarHBondContact O-CE2 3.49Å; F26-V260 CarbonylContact C-O 3.6Å; F26-V260 WeakPolarHBondContact CA-O 3.4Å; F26-V260 HydrophobicContact CD1-CG2 4.37Å; F26-K261 HydrophobicContact CD1-CB 4.26Å; F26-K261 HydrophobicContact CD1-CG 4.43Å; F26-K261 HydrophobicContact CE1-CB 4.16Å; F26-K261 HydrophobicContact CE1-CG 4.12Å; F26-P285 HydrophobicContact CD2-CB 4.33Å; F26-P285 HydrophobicContact CE2-CB 4.01Å; F26-V286 PolarHBondContact N-O 3.09Å; F26-A287 CarbonylContact O-C 3.57Å; F26-A287 VanDerWaalsContact O-CA 3.25Å; F26-A287 WeakPolarHBondContact O-CA 3.33Å; F26-N288 PolarHBondContact O-N 3.23Å; F26-V338 HydrophobicContact CB-CG1 4.37Å; F26-V338 HydrophobicContact CD2-CB 4.48Å; F26-V338 HydrophobicContact CD2-CG2 4.3Å; F26-R528 HydrophobicContact CD1-CG 4.09Å; F26-R528 HydrophobicContact CD2-CG 4.38Å; F26-R528 HydrophobicContact CE1-CG 3.56Å; F26-R528 HydrophobicContact CE2-CG 3.86Å; F26-R528 HydrophobicContact CG-CG 4.48Å; F26-R528 HydrophobicContact CZ-CG 3.42Å; F26-R528 VanDerWaalsContact CZ-CG 3.42Å; F26-V530 HydrophobicContact CE2-CG2 4.17Å; F26-V530 HydrophobicContact CZ-CG2 3.96Å
27A96.8Very high92Very high0 Ų014 Ų140%07%0.067CC..  trans-79.3127.2159.700000108.9T29 D238 H239 V260 V262A27-T29 PolarHBondContact O-N 3.41Å; A27-D238 WeakPolarHBondContact CB-O 3.21Å; A27-H239 HydrophobicContact CB-CB 4.39Å; A27-V260 PolarHBondContact N-O 3.22Å; A27-V262 HydrophobicContact CB-CG1 4.3Å
28T96.1Very high93.1Very high0 Ų010.9 Ų10.90%05%0.052CC..SBendtrans-66.5-14175.954.40000112.8S38 Y44 A287 N288 I289 V338 I340 E341T28-S38 PolarHBondContact OG1-OG 3.06Å; T28-Y44 HydrophobicContact CG2-CD1 3.77Å; T28-Y44 HydrophobicContact CG2-CE1 3.32Å; T28-A287 HydrophobicContact CG2-CB 4Å; T28-N288 WeakPolarHBondContact CB-OD1 3.45Å; T28-N288 WeakPolarHBondContact CG2-OD1 3.4Å; T28-N288 PolarHBondContact N-OD1 3.22Å; T28-N288 PolarHBondContact OG1-ND2 2.95Å; T28-N288 PolarHBondContact OG1-OD1 2.94Å; T28-I289 HydrophobicContact CG2-CG1 4.16Å; T28-I289 HydrophobicContact CG2-CG2 3.93Å; T28-V338 HydrophobicContact CG2-CG1 4.47Å; T28-I340 CarbonylContact O-C 3.56Å; T28-I340 WeakPolarHBondContact O-CA 3.01Å; T28-E341 PolarHBondContact O-N 2.62Å
29T94.5Very high94.1Very high2 Ų28.9 Ų8.91%0.0124%0.042CC..SBendtrans-155.6134.9174.6-172.30000111A27 I31 P34 S35 V45 E341A27-T29 PolarHBondContact O-N 3.41Å; T29-I31 PolarHBondContact O-N 3.34Å; T29-P34 HydrophobicContact CG2-CB 3.52Å; T29-S35 VanDerWaalsContact CG2-N 3.28Å; T29-S35 WeakPolarHBondContact O-CB 3.41Å; T29-V45 HydrophobicContact CG2-CG2 3.65Å; T29-E341 VanDerWaalsContact CB-O 3.23Å; T29-E341 WeakPolarHBondContact CB-O 3.42Å; T29-E341 PolarHBondContact OG1-O 2.85Å
30P93.1Very high94.5Very high0 Ų09.4 Ų9.40%05%0.045CC..SBendtrans-84.840.3-177.333-35.7000113.2H239 T253 D259 V260 Y524P30-H239 HydrophobicContact CB-CB 4.42Å; P30-T253 VanDerWaalsContact CG-C 3.5Å; P30-T253 WeakPolarHBondContact CG-O 3.33Å; P30-D259 HydrophobicContact CB-CB 4.08Å; P30-D259 WeakPolarHBondContact CB-O 3.38Å; P30-V260 HydrophobicContact CB-CG1 4.24Å; P30-V260 HydrophobicContact CG-CG1 4.25Å; P30-Y524 WeakPolarHBondContact CG-OH 3.41Å
31I91.2Very high94.8Very high20 Ų209.4 Ų9.410%0.1035%0.045CC..SBendtrans-133129.2-179.9-53.4-68.7000109.1T29 C33 P34 S35 N53 T253T29-I31 PolarHBondContact O-N 3.34Å; I31-C33 PolarHBondContact O-N 3Å; I31-P34 HydrophobicContact CB-CG 4.08Å; I31-P34 HydrophobicContact CG2-CG 3.98Å; I31-S35 WeakPolarHBondContact O-CB 3.39Å; I31-S35 PolarHBondContact O-N 2.87Å; I31-N53 VanDerWaalsContact CG2-OD1 3.22Å; I31-N53 WeakPolarHBondContact CG2-OD1 3.42Å; I31-T253 HydrophobicContact CD1-CG2 3.29Å
32C92.7Very high95Very high0 Ų06.3 Ų6.30%03%0.031CC..Hα-helixtrans-45.8-61.9-173.3-74.20000113.5S35 R36 K87 N90 D238 H239 K252C32-S35 PolarHBondContact O-N 3.11Å; C32-R36 WeakPolarHBondContact O-CB 3.17Å; C32-R36 VanDerWaalsContact O-CG 3.27Å; C32-R36 WeakPolarHBondContact O-CG 3.38Å; C32-R36 PolarHBondContact O-N 3.48Å; C32-K87 PolarHBondContact SG-NZ 2.99Å; C32-N90 WeakPolarHBondContact CB-OD1 3.26Å; C32-D238 PolarHBondContact SG-OD2 3.46Å; C32-H239 PolarHBondContact N-CD2 2.82Å; C32-H239 PolarHBondContact SG-NE2 2.89Å; C32-K252 PolarHBondContact SG-NZ 3.09Å
33C92.9Very high95.1Very high0 Ų06.7 Ų6.70%03%0.033CC..Hα-helixtrans-69.2-52.2-169.7-170.80000113.4I31 S35 R36 T37 N53 C57 N90I31-C33 PolarHBondContact O-N 3Å; C33-S35 PolarHBondContact O-N 3.06Å; C33-R36 PolarHBondContact O-N 3.41Å; C33-R36 VanDerWaalsContact O-N 3.17Å; C33-T37 WeakPolarHBondContact O-CB 3.18Å; C33-T37 PolarHBondContact O-N 3.44Å; C33-T37 PolarHBondContact O-OG1 2.79Å; C33-N53 WeakPolarHBondContact CB-OD1 3.33Å; C33-N53 PolarHBondContact N-OD1 3.45Å; C33-C57 HydrophobicContact CB-CB 3.83Å; C33-C57 WeakPolarHBondContact CB-SG 3.49Å; C33-C57 WeakPolarHBondContact SG-CA 3.48Å; C33-C57 WeakPolarHBondContact SG-CB 3.35Å; C33-C57 CovalentContact SG-SG 1.98Å; C33-C57 PolarHBondContact SG-SG 3.47Å; C33-N90 HydrophobicContact CB-CB 4.15Å
34P93.6Very high95.2Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-52-41.3172-28.238.2000113.1T29 I31 T37 S38 V45 H48 V50T29-P34 HydrophobicContact CG2-CB 3.52Å; I31-P34 HydrophobicContact CB-CG 4.08Å; I31-P34 HydrophobicContact CG2-CG 3.98Å; P34-T37 WeakPolarHBondContact O-CB 3.49Å; P34-T37 PolarHBondContact O-N 3.03Å; P34-S38 PolarHBondContact O-N 3.5Å; P34-S38 PolarHBondContact O-OG 2.96Å; P34-V45 HydrophobicContact CB-CG2 4.11Å; P34-H48 PolarHBondContact O-NE2 2.79Å; P34-V50 VanDerWaalsContact CB-O 3.28Å; P34-V50 WeakPolarHBondContact CB-O 3.18Å; P34-V50 HydrophobicContact CG-CG1 4.21Å; P34-V50 WeakPolarHBondContact CG-O 3.48Å
35S95.6Very high95.2Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-66.7-43.4179.3-175.30000112.7T29 I31 C32 C33 S38 M39 D238 N288T29-S35 VanDerWaalsContact CG2-N 3.28Å; T29-S35 WeakPolarHBondContact O-CB 3.41Å; I31-S35 WeakPolarHBondContact O-CB 3.39Å; I31-S35 PolarHBondContact O-N 2.87Å; C32-S35 PolarHBondContact O-N 3.11Å; C33-S35 PolarHBondContact O-N 3.06Å; S35-S38 VanDerWaalsContact O-CB 3.31Å; S35-S38 WeakPolarHBondContact O-CB 3.23Å; S35-S38 PolarHBondContact O-N 2.9Å; S35-M39 WeakPolarHBondContact O-CG 3.3Å; S35-M39 PolarHBondContact O-N 2.94Å; S35-D238 WeakPolarHBondContact CB-O 3.4Å; S35-D238 PolarHBondContact OG-O 2.88Å; S35-N288 PolarHBondContact O-ND2 3.08Å; S35-N288 PolarHBondContact OG-ND2 3.28Å
36R95.8Very high95Very high2 Ų22.9 Ų2.91%0.0082%0.015CC..Hα-helixtrans-70.1-36.4177.5-70.5168.9-176.5-89.1-3.3112C32 C33 S38 M39 L40 K87 Y88 L89 S165 D238 E606C32-R36 WeakPolarHBondContact O-CB 3.17Å; C32-R36 VanDerWaalsContact O-CG 3.27Å; C32-R36 WeakPolarHBondContact O-CG 3.38Å; C32-R36 PolarHBondContact O-N 3.48Å; C33-R36 PolarHBondContact O-N 3.41Å; C33-R36 VanDerWaalsContact O-N 3.17Å; R36-S38 VanDerWaalsContact C-N 3.31Å; R36-S38 PolarHBondContact O-N 3.2Å; R36-M39 HydrophobicContact CG-CE 4.5Å; R36-M39 WeakPolarHBondContact O-CB 3.41Å; R36-M39 PolarHBondContact O-N 3.45Å; R36-M39 VanDerWaalsContact O-N 3.15Å; R36-L40 WeakPolarHBondContact O-CB 2.88Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.39Å; R36-L40 PolarHBondContact O-N 2.85Å; R36-K87 PolarHBondContact NH1-O 3.42Å; R36-Y88 WeakPolarHBondContact CD-O 3.46Å; R36-L89 HydrophobicContact CB-CD2 3.42Å; R36-L89 VanDerWaalsContact CB-CD2 3.42Å; R36-S165 PolarHBondContact NH1-OG 3.02Å; R36-D238 HydrophobicContact CG-CB 4.11Å; R36-D238 IonicContact CZ-OD2 3.55Å; R36-D238 IonicContact NE-OD2 3.29Å; R36-D238 PolarHBondContact NE-OD2 2.84Å; R36-D238 IonicContact NH2-OD2 3.23Å; R36-D238 PolarHBondContact NH2-OD2 3.24Å; R36-E606 IonicContact CZ-OE1 3.46Å; R36-E606 IonicContact CZ-OE2 2.87Å; R36-E606 IonicContact NE-OE1 3.06Å; R36-E606 PolarHBondContact NE-OE1 2.77Å; R36-E606 IonicContact NH1-OE1 2.59Å; R36-E606 PolarHBondContact NH1-OE1 3.48Å; R36-E606 IonicContact NH1-OE2 3.39Å; R36-E606 PolarHBondContact NH1-OE2 3.49Å; R36-E606 IonicContact NH2-OE1 3.85Å; R36-E606 PolarHBondContact NH2-OE1 3.45Å
37T95Very high94.9Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-55.8-47.9168.2-62.20000109.9C33 P34 M39 L40 S41 H48 V50 W62 L66C33-T37 WeakPolarHBondContact O-CB 3.18Å; C33-T37 PolarHBondContact O-N 3.44Å; C33-T37 PolarHBondContact O-OG1 2.79Å; P34-T37 WeakPolarHBondContact O-CB 3.49Å; P34-T37 PolarHBondContact O-N 3.03Å; T37-M39 VanDerWaalsContact C-N 3.35Å; T37-M39 PolarHBondContact O-N 2.56Å; T37-L40 PolarHBondContact O-N 2.9Å; T37-S41 WeakPolarHBondContact O-CB 3.33Å; T37-S41 PolarHBondContact O-N 3.16Å; T37-S41 PolarHBondContact O-OG 3.08Å; T37-H48 HydrophobicContact CG2-CB 4.07Å; T37-V50 HydrophobicContact CG2-CB 4.1Å; T37-V50 HydrophobicContact CG2-CG2 3.78Å; T37-W62 HydrophobicContact CG2-CE3 3.81Å; T37-W62 HydrophobicContact CG2-CZ3 3.48Å; T37-W62 VanDerWaalsContact CG2-CZ3 3.48Å; T37-L66 HydrophobicContact CG2-CD1 4.17Å
38S96.6Very high94.6Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-59.2-39.9173.4-76.70000113.3T28 P34 S35 R36 G42 I43 H48T28-S38 PolarHBondContact OG1-OG 3.06Å; P34-S38 PolarHBondContact O-N 3.5Å; P34-S38 PolarHBondContact O-OG 2.96Å; S35-S38 VanDerWaalsContact O-CB 3.31Å; S35-S38 WeakPolarHBondContact O-CB 3.23Å; S35-S38 PolarHBondContact O-N 2.9Å; R36-S38 VanDerWaalsContact C-N 3.31Å; R36-S38 PolarHBondContact O-N 3.2Å; S38-G42 VanDerWaalsContact O-CA 3.22Å; S38-G42 WeakPolarHBondContact O-CA 3.43Å; S38-G42 PolarHBondContact O-N 3.25Å; S38-I43 VanDerWaalsContact CA-O 3.32Å; S38-I43 WeakPolarHBondContact CA-O 3.35Å; S38-I43 WeakPolarHBondContact CB-O 3.46Å; S38-I43 PolarHBondContact OG-O 3.29Å; S38-H48 PolarHBondContact OG-NE2 2.78Å; S38-H48 VanDerWaalsContact OG-NE2 3.16Å
39M97.4Very high94.3Very high2 Ų28.4 Ų8.41%0.014%0.041CC..Hα-helixtrans-66.4-43.5176.6-70.9-165.1-130.600113.8S35 R36 T37 T236 D238 N288 I291 A292 F604 E606S35-M39 WeakPolarHBondContact O-CG 3.3Å; S35-M39 PolarHBondContact O-N 2.94Å; R36-M39 HydrophobicContact CG-CE 4.5Å; R36-M39 WeakPolarHBondContact O-CB 3.41Å; R36-M39 PolarHBondContact O-N 3.45Å; R36-M39 VanDerWaalsContact O-N 3.15Å; T37-M39 VanDerWaalsContact C-N 3.35Å; T37-M39 PolarHBondContact O-N 2.56Å; M39-T236 HydrophobicContact SD-CG2 4.47Å; M39-D238 HydrophobicContact CE-CB 3.59Å; M39-N288 HydrophobicContact CE-CB 4.44Å; M39-N288 HydrophobicContact CG-CB 3.73Å; M39-I291 HydrophobicContact CG-CD1 3.91Å; M39-I291 HydrophobicContact SD-CD1 3.83Å; M39-A292 WeakPolarHBondContact O-CB 3.44Å; M39-F604 HydrophobicContact SD-CE1 4.29Å; M39-F604 HydrophobicContact SD-CZ 3.86Å; M39-E606 HydrophobicContact CE-CG 4.01Å; M39-E606 WeakPolarHBondContact CE-OE1 2.99Å; M39-E606 HydrophobicContact SD-CG 4.07Å
40L97.1Very high94.1Very high11 Ų118.3 Ų8.36%0.0584%0.041CC..Hα-helixtrans-74-35.4-175.2-69167.4000112.4R36 T37 W62 S70 F71 Y88 L89R36-L40 WeakPolarHBondContact O-CB 2.88Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.39Å; R36-L40 PolarHBondContact O-N 2.85Å; T37-L40 PolarHBondContact O-N 2.9Å; L40-W62 HydrophobicContact CB-CH2 4.06Å; L40-W62 HydrophobicContact CD1-CH2 4.03Å; L40-W62 HydrophobicContact CD1-CZ2 4.06Å; L40-S70 WeakPolarHBondContact O-CA 3.18Å; L40-F71 HydrophobicContact CD2-CE1 3.78Å; L40-F71 HydrophobicContact CD2-CZ 3.97Å; L40-F71 VanDerWaalsContact O-CD1 3.31Å; L40-F71 WeakPolarHBondContact O-CD1 3.39Å; L40-F71 PolarHBondContact O-N 3.24Å; L40-Y88 HydrophobicContact CD1-CD2 4.23Å; L40-Y88 HydrophobicContact CD1-CE2 3.5Å; L40-Y88 VanDerWaalsContact CD1-CE2 3.5Å; L40-L89 HydrophobicContact CD1-CD2 4.22Å; L40-L89 HydrophobicContact CD1-CG 4.47Å
41S96.3Very high93.7Very high1 Ų19.7 Ų9.71%0.0075%0.047CC..Hα-helixtrans-99.7-23.4-176.464.20000114.1T37 I43 M307T37-S41 WeakPolarHBondContact O-CB 3.33Å; T37-S41 PolarHBondContact O-N 3.16Å; T37-S41 PolarHBondContact O-OG 3.08Å; S41-I43 VanDerWaalsContact C-N 3.3Å; S41-I43 WeakPolarHBondContact OG-CB 3.37Å; S41-I43 PolarHBondContact OG-N 3.23Å; S41-M307 WeakPolarHBondContact O-CG 3.46Å
42G97.5Very high93.5Very high0 Ų010 Ų100%05%0.051CC..  trans72.820.7-17100000114.1S38 I289 D308 G309S38-G42 VanDerWaalsContact O-CA 3.22Å; S38-G42 WeakPolarHBondContact O-CA 3.43Å; S38-G42 PolarHBondContact O-N 3.25Å; G42-I289 VanDerWaalsContact CA-O 3.27Å; G42-I289 WeakPolarHBondContact CA-O 3.45Å; G42-D308 PolarHBondContact O-N 3.11Å; G42-G309 PolarHBondContact O-N 3.17Å; G42-G309 VanDerWaalsContact O-N 3.08Å
43I96.3Very high93.2Very high11 Ų1111.9 Ų11.96%0.0566%0.061CC..  trans-114.1143.9-171.9-57.3173.9000110.3S38 S41 N47 H48 L66 I289 D308S38-I43 VanDerWaalsContact CA-O 3.32Å; S38-I43 WeakPolarHBondContact CA-O 3.35Å; S38-I43 WeakPolarHBondContact CB-O 3.46Å; S38-I43 PolarHBondContact OG-O 3.29Å; S41-I43 VanDerWaalsContact C-N 3.3Å; S41-I43 WeakPolarHBondContact OG-CB 3.37Å; S41-I43 PolarHBondContact OG-N 3.23Å; I43-N47 HydrophobicContact CG2-CB 3.35Å; I43-H48 HydrophobicContact CB-CB 4.26Å; I43-H48 HydrophobicContact CG2-CB 3.85Å; I43-H48 PolarHBondContact O-CD2 3.09Å; I43-L66 HydrophobicContact CD1-CD2 4.01Å; I43-I289 WeakPolarHBondContact O-CG2 3.5Å; I43-D308 WeakPolarHBondContact CA-OD2 3.49Å; I43-D308 WeakPolarHBondContact CG2-OD2 3.39Å
44Y95.7Very high92.6Very high4 Ų420.3 Ų20.32%0.01610%0.098CC..  trans-71.5157173.1-83.3-68.6000113T28 H46 N47 H48 I289 D308 L339 C583T28-Y44 HydrophobicContact CG2-CD1 3.77Å; T28-Y44 HydrophobicContact CG2-CE1 3.32Å; Y44-H46 VanDerWaalsContact CB-CE1 3.45Å; Y44-H46 WeakPolarHBondContact CB-CE1 3.29Å; Y44-H46 WeakPolarHBondContact CB-ND1 3.47Å; Y44-H46 AromaticContact CG-CE1 3.94Å; Y44-H46 PolarHBondContact O-N 3.36Å; Y44-N47 PolarHBondContact O-N 3.49Å; Y44-H48 PolarHBondContact O-CD2 3.08Å; Y44-H48 VanDerWaalsContact O-CD2 3.23Å; Y44-H48 PolarHBondContact O-N 2.87Å; Y44-I289 HydrophobicContact CD1-CD1 4.26Å; Y44-I289 HydrophobicContact CD1-CG2 4.45Å; Y44-I289 HydrophobicContact CD2-CD1 3.84Å; Y44-I289 HydrophobicContact CE1-CD1 3.75Å; Y44-I289 HydrophobicContact CE2-CD1 3.26Å; Y44-I289 HydrophobicContact CG-CD1 4.29Å; Y44-I289 WeakPolarHBondContact OH-CD1 3.45Å; Y44-D308 HydrophobicContact CD2-CB 3.62Å; Y44-D308 HydrophobicContact CE2-CB 4.18Å; Y44-D308 HydrophobicContact CG-CB 4.49Å; Y44-D308 PolarHBondContact N-OD2 2.81Å; Y44-L339 HydrophobicContact CD1-CB 4.43Å; Y44-L339 HydrophobicContact CD1-CD2 4.21Å; Y44-L339 HydrophobicContact CE1-CB 3.75Å; Y44-L339 HydrophobicContact CE1-CD2 4.33Å; Y44-L339 HydrophobicContact CE1-CG 4.36Å; Y44-L339 WeakPolarHBondContact CE1-O 3.4Å; Y44-L339 HydrophobicContact CG-CD2 4.47Å; Y44-C583 HydrophobicContact CE2-CB 4.35Å
45V93.3Very high91.4Very high4 Ų424.5 Ų24.52%0.02412%0.12CC..Hα-helixtrans-56-39.2-177.5173.90000112.8T29 P34 N47 H48 H49 H51 E341T29-V45 HydrophobicContact CG2-CG2 3.65Å; P34-V45 HydrophobicContact CB-CG2 4.11Å; V45-N47 PolarHBondContact O-N 3.2Å; V45-H48 VanDerWaalsContact CA-CE1 3.42Å; V45-H48 WeakPolarHBondContact CA-CE1 3.31Å; V45-H48 WeakPolarHBondContact CA-NE2 3.39Å; V45-H49 PolarHBondContact O-N 3.32Å; V45-H51 WeakPolarHBondContact CG1-ND1 3.36Å; V45-E341 HydrophobicContact CB-CB 4.2Å; V45-E341 PolarHBondContact N-OE2 2.82Å
46H91.5Very high90.2Very high3 Ų327.9 Ų27.91%0.01414%0.139CC..Hα-helixtrans-71.9-17.2-178.772.7-94.5000115Y44 H49 E341 R345 R575 C577Y44-H46 VanDerWaalsContact CB-CE1 3.45Å; Y44-H46 WeakPolarHBondContact CB-CE1 3.29Å; Y44-H46 WeakPolarHBondContact CB-ND1 3.47Å; Y44-H46 AromaticContact CG-CE1 3.94Å; Y44-H46 PolarHBondContact O-N 3.36Å; H46-H49 PolarHBondContact O-CE1 3.07Å; H46-H49 PolarHBondContact O-ND1 2.67Å; H46-E341 WeakPolarHBondContact CB-OE1 3.2Å; H46-E341 IonicContact CE1-OE2 3.06Å; H46-E341 IonicContact CG-OE1 2.81Å; H46-E341 IonicContact CG-OE2 3.66Å; H46-E341 PolarHBondContact N-OE2 2.81Å; H46-E341 IonicContact ND1-OE1 3.86Å; H46-E341 PolarHBondContact ND1-OE1 2.96Å; H46-E341 IonicContact ND1-OE2 3.34Å; H46-E341 PolarHBondContact ND1-OE2 2.97Å; H46-R345 VanDerWaalsContact CB-NH1 3.3Å; H46-R345 PolarHBondContact CD2-NH1 2.93Å; H46-R575 PolarHBondContact CD2-O 3.28Å; H46-C577 PolarHBondContact NE2-O 2.74Å
47N93.2Very high89.6Confident34 Ų3427.8 Ų27.818%0.18214%0.138CC..Hα-helixtrans-98-36.1178-75.8-27000112.2I43 Y44 V45 H49 D308 C577I43-N47 HydrophobicContact CG2-CB 3.35Å; Y44-N47 PolarHBondContact O-N 3.49Å; V45-N47 PolarHBondContact O-N 3.2Å; N47-H49 PolarHBondContact O-CD2 3.06Å; N47-H49 PolarHBondContact O-NE2 3.32Å; N47-D308 VanDerWaalsContact ND2-CG 3.32Å; N47-D308 PolarHBondContact ND2-OD1 3.28Å; N47-D308 VanDerWaalsContact ND2-OD1 3.15Å; N47-D308 PolarHBondContact ND2-OD2 2.78Å; N47-C577 PolarHBondContact ND2-O 2.98Å; N47-C577 PolarHBondContact OD1-O 3.02Å
48H92Very high89.1Confident0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-90.7-9.3177.767.554.3000114.5P34 T37 S38 I43 Y44 V45 V50 Y61 L66P34-H48 PolarHBondContact O-NE2 2.79Å; T37-H48 HydrophobicContact CG2-CB 4.07Å; S38-H48 PolarHBondContact OG-NE2 2.78Å; S38-H48 VanDerWaalsContact OG-NE2 3.16Å; I43-H48 HydrophobicContact CB-CB 4.26Å; I43-H48 HydrophobicContact CG2-CB 3.85Å; I43-H48 PolarHBondContact O-CD2 3.09Å; Y44-H48 PolarHBondContact O-CD2 3.08Å; Y44-H48 VanDerWaalsContact O-CD2 3.23Å; Y44-H48 PolarHBondContact O-N 2.87Å; V45-H48 VanDerWaalsContact CA-CE1 3.42Å; V45-H48 WeakPolarHBondContact CA-CE1 3.31Å; V45-H48 WeakPolarHBondContact CA-NE2 3.39Å; H48-V50 PolarHBondContact CE1-O 3.4Å; H48-V50 VanDerWaalsContact CE1-O 3.24Å; H48-V50 PolarHBondContact ND1-N 3.34Å; H48-V50 VanDerWaalsContact ND1-N 3.18Å; H48-V50 PolarHBondContact O-N 2.92Å; H48-Y61 WeakPolarHBondContact O-CE1 3.42Å; H48-L66 HydrophobicContact CB-CD1 3.8Å; H48-L66 HydrophobicContact CB-CD2 3.98Å
49H88.7Confident88.6Confident82 Ų8230.2 Ų30.238%0.3816%0.158SC..  trans61.8-0.5172.5-52.6-57.5000117.9V45 H46 N47 H51V45-H49 PolarHBondContact O-N 3.32Å; H46-H49 PolarHBondContact O-CE1 3.07Å; H46-H49 PolarHBondContact O-ND1 2.67Å; N47-H49 PolarHBondContact O-CD2 3.06Å; N47-H49 PolarHBondContact O-NE2 3.32Å; H49-H51 PolarHBondContact O-CD2 3.11Å; H49-H51 PolarHBondContact O-N 3.21Å
50V89.7Confident88.2Confident0 Ų035.8 Ų35.80%019%0.187CC..  trans-71.6101.8165.2-174.10000110.3P34 T37 H48 N56 C57 L66P34-V50 VanDerWaalsContact CB-O 3.28Å; P34-V50 WeakPolarHBondContact CB-O 3.18Å; P34-V50 HydrophobicContact CG-CG1 4.21Å; P34-V50 WeakPolarHBondContact CG-O 3.48Å; T37-V50 HydrophobicContact CG2-CB 4.1Å; T37-V50 HydrophobicContact CG2-CG2 3.78Å; H48-V50 PolarHBondContact CE1-O 3.4Å; H48-V50 VanDerWaalsContact CE1-O 3.24Å; H48-V50 PolarHBondContact ND1-N 3.34Å; H48-V50 VanDerWaalsContact ND1-N 3.18Å; H48-V50 PolarHBondContact O-N 2.92Å; V50-N56 HydrophobicContact CG2-CB 4.31Å; V50-N56 WeakPolarHBondContact CG2-O 3.37Å; V50-C57 HydrophobicContact CG1-CB 4.33Å; V50-L66 HydrophobicContact CG2-CD1 4.23Å
51H86.1Confident87.7Confident30 Ų3038.9 Ų38.914%0.13920%0.198CC..  trans-103.3-16-173.1-64.3-61.7000114.6V45 H49 G343 I344V45-H51 WeakPolarHBondContact CG1-ND1 3.36Å; H49-H51 PolarHBondContact O-CD2 3.11Å; H49-H51 PolarHBondContact O-N 3.21Å; H51-G343 PolarHBondContact ND1-O 2.93Å; H51-G343 VanDerWaalsContact ND1-O 3.1Å; H51-I344 HydrophobicContact CB-CG1 4.23Å
52S87Confident87.5Confident27 Ų2738.9 Ų38.919%0.18920%0.198CC..SBendtrans-146.2171.4-17586.70000111.6K54 D55S52-K54 PolarHBondContact O-N 2.88Å; S52-K54 PolarHBondContact OG-N 2.8Å; S52-K54 VanDerWaalsContact OG-N 3.12Å; S52-D55 VanDerWaalsContact OG-CG 3.32Å; S52-D55 PolarHBondContact OG-N 2.98Å; S52-D55 PolarHBondContact OG-OD2 3.47Å
53N86.8Confident87.3Confident38 Ų3843.7 Ų43.720%0.20322%0.216CC..SBendtrans-72.6-6.6173.2-75-9.1000113.5I31 C33 N90I31-N53 VanDerWaalsContact CG2-OD1 3.22Å; I31-N53 WeakPolarHBondContact CG2-OD1 3.42Å; C33-N53 WeakPolarHBondContact CB-OD1 3.33Å; C33-N53 PolarHBondContact N-OD1 3.45Å; N53-N90 HydrophobicContact CB-CB 3.93Å; N53-N90 PolarHBondContact OD1-OD1 2.95Å
54K80.1Confident87.1Confident178 Ų17849.2 Ų49.277%0.77424%0.242SC*.SBendtrans-111.9-41.8-176.9-63.9-175.8178.4-175.30112.2S52S52-K54 PolarHBondContact O-N 2.88Å; S52-K54 PolarHBondContact OG-N 2.8Å; S52-K54 VanDerWaalsContact OG-N 3.12Å
55D67.3Low86.9Confident87 Ų8753.2 Ų53.247%0.46526%0.261SS..SBendtrans-92.3119.9-171.3-48.1-56.3000110.3S52 C57S52-D55 VanDerWaalsContact OG-CG 3.32Å; S52-D55 PolarHBondContact OG-N 2.98Å; S52-D55 PolarHBondContact OG-OD2 3.47Å; D55-C57 PolarHBondContact O-N 2.94Å
56N71.8Confident86.9Confident72 Ų7253.4 Ų53.439%0.38526%0.261SS..SBendtrans58.55.4178.5-69.7-18.6000116.9V50 T58 W62V50-N56 HydrophobicContact CG2-CB 4.31Å; V50-N56 WeakPolarHBondContact CG2-O 3.37Å; N56-T58 PolarHBondContact O-N 2.82Å; N56-W62 WeakPolarHBondContact O-CB 3.3Å
57C81.5Confident87.1Confident0 Ų053.4 Ų53.40%026%0.261CS..SBendtrans-55.4-54.6-178.6175.80000113.1C33 V50 D55 L89 N90C33-C57 HydrophobicContact CB-CB 3.83Å; C33-C57 WeakPolarHBondContact CB-SG 3.49Å; C33-C57 WeakPolarHBondContact SG-CA 3.48Å; C33-C57 WeakPolarHBondContact SG-CB 3.35Å; C33-C57 CovalentContact SG-SG 1.98Å; C33-C57 PolarHBondContact SG-SG 3.47Å; V50-C57 HydrophobicContact CG1-CB 4.33Å; D55-C57 PolarHBondContact O-N 2.94Å; C57-L89 WeakPolarHBondContact O-CD1 3.37Å; C57-N90 PolarHBondContact SG-N 2.83Å; C57-N90 VanDerWaalsContact SG-N 3.39Å; C57-N90 PolarHBondContact SG-O 3.45Å
58T86.2Confident87.2Confident25 Ų2554.4 Ų54.415%0.15327%0.27CS..SBendtrans-123.618.7172.850.50000111.3N56 L89 N90 E91N56-T58 PolarHBondContact O-N 2.82Å; T58-L89 HydrophobicContact CG2-CB 3.54Å; T58-L89 HydrophobicContact CG2-CD1 4.3Å; T58-N90 VanDerWaalsContact CG2-O 3.27Å; T58-N90 WeakPolarHBondContact CG2-O 3.34Å; T58-N90 PolarHBondContact OG1-O 3.48Å; T58-E91 VanDerWaalsContact OG1-C 3.3Å; T58-E91 PolarHBondContact OG1-O 2.86Å
59G85Confident87.4Confident26 Ų2658.1 Ų58.127%0.26829%0.287SS..SBendtrans-70.2176-178.100000112.6Y61 W62 R63G59-Y61 VanDerWaalsContact C-N 3.25Å; G59-Y61 PolarHBondContact O-N 3.36Å; G59-W62 PolarHBondContact O-N 2.8Å; G59-W62 VanDerWaalsContact O-N 3.1Å; G59-R63 PolarHBondContact O-N 3.45Å; G59-R63 VanDerWaalsContact O-N 3.16Å
60I88.1Confident87.7Confident119 Ų11954.3 Ų54.361%0.6127%0.269SS*.Hα-helixtrans-52.5-44.9-179.1-63.3173000111.2W62 R63 E64I60-W62 PolarHBondContact O-N 2.76Å; I60-R63 PolarHBondContact O-N 2.97Å; I60-E64 HydrophobicContact CG2-CG 4.14Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.42Å; I60-E64 WeakPolarHBondContact CG2-OE2 3.31Å; I60-E64 WeakPolarHBondContact O-CB 3.38Å; I60-E64 WeakPolarHBondContact O-CG 3.41Å; I60-E64 PolarHBondContact O-N 2.76Å
61Y88.5Confident88.1Confident76 Ų7654.3 Ų54.330%0.29827%0.27SS..Hα-helixtrans-56.3-47.6178.7-176.8-97.2000113H48 G59 H65 L66H48-Y61 WeakPolarHBondContact O-CE1 3.42Å; G59-Y61 VanDerWaalsContact C-N 3.25Å; G59-Y61 PolarHBondContact O-N 3.36Å; Y61-H65 AromaticContact CD2-ND1 3.76Å; Y61-H65 HydrophobicContact CE2-CB 4.26Å; Y61-H65 AromaticContact CE2-CG 3.97Å; Y61-H65 WeakPolarHBondContact O-CB 3.27Å; Y61-H65 PolarHBondContact O-N 3.29Å; Y61-H65 PolarHBondContact O-ND1 2.91Å; Y61-L66 HydrophobicContact CD1-CD1 4.17Å; Y61-L66 HydrophobicContact CE1-CD1 3.86Å; Y61-L66 HydrophobicContact CE1-CG 4.19Å
62W91Very high88.7Confident0 Ų052.9 Ų52.90%026%0.263CS..Iπ-helixtrans-58.4-51.1176.4166-98000110.9T37 L40 N56 G59 I60 E64 L66 E67 Y88 L89T37-W62 HydrophobicContact CG2-CE3 3.81Å; T37-W62 HydrophobicContact CG2-CZ3 3.48Å; T37-W62 VanDerWaalsContact CG2-CZ3 3.48Å; L40-W62 HydrophobicContact CB-CH2 4.06Å; L40-W62 HydrophobicContact CD1-CH2 4.03Å; L40-W62 HydrophobicContact CD1-CZ2 4.06Å; N56-W62 WeakPolarHBondContact O-CB 3.3Å; G59-W62 PolarHBondContact O-N 2.8Å; G59-W62 VanDerWaalsContact O-N 3.1Å; I60-W62 PolarHBondContact O-N 2.76Å; W62-E64 VanDerWaalsContact C-N 3.33Å; W62-E64 PolarHBondContact O-N 2.83Å; W62-L66 HydrophobicContact CD2-CB 4.11Å; W62-L66 HydrophobicContact CE3-CB 3.32Å; W62-L66 HydrophobicContact CE3-CD1 3.61Å; W62-L66 HydrophobicContact CE3-CG 4.12Å; W62-L66 HydrophobicContact CH2-CB 4.35Å; W62-L66 HydrophobicContact CZ3-CB 3.44Å; W62-L66 VanDerWaalsContact CZ3-CB 3.44Å; W62-L66 HydrophobicContact CZ3-CD1 4.07Å; W62-L66 HydrophobicContact CZ3-CG 4.38Å; W62-L66 PolarHBondContact O-N 3.19Å; W62-E67 HydrophobicContact CD2-CB 4.37Å; W62-E67 HydrophobicContact CZ2-CB 3.99Å; W62-E67 HydrophobicContact CZ2-CG 4.03Å; W62-E67 PolarHBondContact NE1-OE1 3.38Å; W62-E67 WeakPolarHBondContact O-CB 3.5Å; W62-E67 PolarHBondContact O-N 3.28Å; W62-Y88 WeakPolarHBondContact CZ2-OH 3.22Å; W62-Y88 PolarHBondContact NE1-OH 3.12Å; W62-L89 HydrophobicContact CD2-CD1 3.85Å; W62-L89 HydrophobicContact CE3-CD1 4.41Å; W62-L89 HydrophobicContact CG-CD1 4.36Å; W62-L89 HydrophobicContact CH2-CD1 4.25Å; W62-L89 HydrophobicContact CZ2-CD1 3.61Å
63R92.6Very high89.2Confident101 Ų10152.5 Ų52.538%0.38126%0.26SS..Iπ-helixtrans-63-36.6-175.5-66-179.566.1-177.9-0.8113.5G59 I60 P68 Y96G59-R63 PolarHBondContact O-N 3.45Å; G59-R63 VanDerWaalsContact O-N 3.16Å; I60-R63 PolarHBondContact O-N 2.97Å; R63-P68 WeakPolarHBondContact O-CD 3.23Å; R63-P68 WeakPolarHBondContact O-CG 3.33Å; R63-Y96 WeakPolarHBondContact CG-OH 3.39Å; R63-Y96 VanDerWaalsContact NE-CE1 3.29Å; R63-Y96 VanDerWaalsContact NH2-CD1 3.3Å
64E92.2Very high89.7Confident128 Ų12854.2 Ų54.260%0.59826%0.264SS*.Iπ-helixtrans-88.1-32-176.5-70.2178.5173.400113.2I60 W62I60-E64 HydrophobicContact CG2-CG 4.14Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.42Å; I60-E64 WeakPolarHBondContact CG2-OE2 3.31Å; I60-E64 WeakPolarHBondContact O-CB 3.38Å; I60-E64 WeakPolarHBondContact O-CG 3.41Å; I60-E64 PolarHBondContact O-N 2.76Å; W62-E64 VanDerWaalsContact C-N 3.33Å; W62-E64 PolarHBondContact O-N 2.83Å
65H92.1Very high90.5Very high88 Ų8845.8 Ų45.841%0.40723%0.227SC..Iπ-helixtrans-115.9-34.6-167.4-58.277.3000114.5Y61 Q69Y61-H65 AromaticContact CD2-ND1 3.76Å; Y61-H65 HydrophobicContact CE2-CB 4.26Å; Y61-H65 AromaticContact CE2-CG 3.97Å; Y61-H65 WeakPolarHBondContact O-CB 3.27Å; Y61-H65 PolarHBondContact O-N 3.29Å; Y61-H65 PolarHBondContact O-ND1 2.91Å; H65-Q69 PolarHBondContact O-OE1 3.35Å
66L93.9Very high92Very high7 Ų743.1 Ų43.14%0.03722%0.215CC..Iπ-helixtrans-107.4-42-171.5-65.6171.1000112.7T37 I43 H48 V50 Y61 W62 Q69 S70T37-L66 HydrophobicContact CG2-CD1 4.17Å; I43-L66 HydrophobicContact CD1-CD2 4.01Å; H48-L66 HydrophobicContact CB-CD1 3.8Å; H48-L66 HydrophobicContact CB-CD2 3.98Å; V50-L66 HydrophobicContact CG2-CD1 4.23Å; Y61-L66 HydrophobicContact CD1-CD1 4.17Å; Y61-L66 HydrophobicContact CE1-CD1 3.86Å; Y61-L66 HydrophobicContact CE1-CG 4.19Å; W62-L66 HydrophobicContact CD2-CB 4.11Å; W62-L66 HydrophobicContact CE3-CB 3.32Å; W62-L66 HydrophobicContact CE3-CD1 3.61Å; W62-L66 HydrophobicContact CE3-CG 4.12Å; W62-L66 HydrophobicContact CH2-CB 4.35Å; W62-L66 HydrophobicContact CZ3-CB 3.44Å; W62-L66 VanDerWaalsContact CZ3-CB 3.44Å; W62-L66 HydrophobicContact CZ3-CD1 4.07Å; W62-L66 HydrophobicContact CZ3-CG 4.38Å; W62-L66 PolarHBondContact O-N 3.19Å; L66-Q69 CarbonylContact O-C 3.56Å; L66-Q69 WeakPolarHBondContact O-CA 3.38Å; L66-Q69 PolarHBondContact O-N 2.91Å; L66-S70 PolarHBondContact O-N 3.39Å
67E94.8Very high93.1Very high4 Ų445.9 Ų45.92%0.01923%0.23CC..G310 helixtrans-61.9-42.3-179.2-161.9171.9-115.400113.2W62 Q69 S70 Y88 Y96 P98 P99W62-E67 HydrophobicContact CD2-CB 4.37Å; W62-E67 HydrophobicContact CZ2-CB 3.99Å; W62-E67 HydrophobicContact CZ2-CG 4.03Å; W62-E67 PolarHBondContact NE1-OE1 3.38Å; W62-E67 WeakPolarHBondContact O-CB 3.5Å; W62-E67 PolarHBondContact O-N 3.28Å; E67-Q69 PolarHBondContact O-N 2.88Å; E67-S70 WeakPolarHBondContact O-CB 3.36Å; E67-S70 PolarHBondContact O-N 3.43Å; E67-S70 VanDerWaalsContact O-N 3.15Å; E67-S70 PolarHBondContact O-OG 2.82Å; E67-Y88 PolarHBondContact OE1-OH 2.93Å; E67-Y96 PolarHBondContact OE1-OH 3.27Å; E67-Y96 VanDerWaalsContact OE2-CE2 3.23Å; E67-Y96 WeakPolarHBondContact OE2-CE2 3.31Å; E67-Y96 PolarHBondContact OE2-OH 2.82Å; E67-P98 HydrophobicContact CG-CB 4.2Å; E67-P98 WeakPolarHBondContact OE1-CB 3.39Å; E67-P99 HydrophobicContact CG-CG 4.03Å; E67-P99 WeakPolarHBondContact OE2-CD 3.13Å
68P96.2Very high93.8Very high55 Ų5548.4 Ų48.436%0.35725%0.248SC..G310 helixtrans-65.5-16.7173.8-2135.8000113.5R63 V73R63-P68 WeakPolarHBondContact O-CD 3.23Å; R63-P68 WeakPolarHBondContact O-CG 3.33Å; P68-V73 WeakPolarHBondContact O-CB 3.34Å; P68-V73 WeakPolarHBondContact O-CG1 3.43Å
69Q95.1Very high94.3Very high77 Ų7748.6 Ų48.636%0.3625%0.254SS..G310 helixtrans-103.911.2179-59.4-174.3-7.900112.4H65 L66 E67 Y74H65-Q69 PolarHBondContact O-OE1 3.35Å; L66-Q69 CarbonylContact O-C 3.56Å; L66-Q69 WeakPolarHBondContact O-CA 3.38Å; L66-Q69 PolarHBondContact O-N 2.91Å; E67-Q69 PolarHBondContact O-N 2.88Å; Q69-Y74 WeakPolarHBondContact O-CE2 3.24Å
70S96.7Very high94.8Very high2 Ų248.1 Ų48.11%0.01424%0.244CC..SBendtrans-70.3154.5175.566.40000111.9L40 L66 E67 A72 V73 Y74L40-S70 WeakPolarHBondContact O-CA 3.18Å; L66-S70 PolarHBondContact O-N 3.39Å; E67-S70 WeakPolarHBondContact O-CB 3.36Å; E67-S70 PolarHBondContact O-N 3.43Å; E67-S70 VanDerWaalsContact O-N 3.15Å; E67-S70 PolarHBondContact O-OG 2.82Å; S70-A72 PolarHBondContact O-N 2.9Å; S70-V73 PolarHBondContact O-N 2.91Å; S70-V73 VanDerWaalsContact O-N 3.09Å; S70-Y74 WeakPolarHBondContact O-CD2 3.44Å; S70-Y74 PolarHBondContact O-N 3.05Å
71F97.5Very high95.3Very high1 Ų143.3 Ų43.30%0.00422%0.219CC..Hα-helixtrans-55.6-29.5177.367.6-106.4000112.7L40 V73 Y74 L75 W101 L161 V163 A292 I295 L296L40-F71 HydrophobicContact CD2-CE1 3.78Å; L40-F71 HydrophobicContact CD2-CZ 3.97Å; L40-F71 VanDerWaalsContact O-CD1 3.31Å; L40-F71 WeakPolarHBondContact O-CD1 3.39Å; L40-F71 PolarHBondContact O-N 3.24Å; F71-V73 VanDerWaalsContact C-N 3.35Å; F71-V73 PolarHBondContact O-N 2.83Å; F71-Y74 PolarHBondContact O-N 2.98Å; F71-L75 WeakPolarHBondContact O-CB 3.18Å; F71-L75 WeakPolarHBondContact O-CD2 3.37Å; F71-L75 PolarHBondContact O-N 2.61Å; F71-W101 HydrophobicContact CE2-CH2 4.12Å; F71-L161 HydrophobicContact CD2-CD2 4.14Å; F71-L161 HydrophobicContact CE2-CD2 3.99Å; F71-V163 HydrophobicContact CE2-CG2 4.21Å; F71-V163 HydrophobicContact CZ-CG2 4.12Å; F71-A292 HydrophobicContact CB-CB 4.17Å; F71-A292 HydrophobicContact CD1-CB 3.9Å; F71-I295 HydrophobicContact CD1-CD1 4.36Å; F71-I295 HydrophobicContact CD2-CD1 4.13Å; F71-I295 HydrophobicContact CD2-CG2 4.09Å; F71-I295 HydrophobicContact CE1-CD1 4.15Å; F71-I295 HydrophobicContact CE2-CD1 3.97Å; F71-I295 HydrophobicContact CG-CD1 4.36Å; F71-I295 HydrophobicContact CZ-CD1 3.98Å; F71-L296 HydrophobicContact CB-CD2 4.2Å
72A97.5Very high95.7Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-63.4-40179.800000112.4S70 L75 S76 W101S70-A72 PolarHBondContact O-N 2.9Å; A72-L75 PolarHBondContact O-N 2.63Å; A72-S76 VanDerWaalsContact O-CB 3.32Å; A72-S76 WeakPolarHBondContact O-CB 3.43Å; A72-S76 PolarHBondContact O-N 3.48Å; A72-W101 HydrophobicContact CB-CD2 4.03Å; A72-W101 VanDerWaalsContact CB-CE2 3.43Å; A72-W101 HydrophobicContact CB-CE3 4.37Å; A72-W101 HydrophobicContact CB-CH2 3.64Å; A72-W101 HydrophobicContact CB-CZ2 3.24Å; A72-W101 HydrophobicContact CB-CZ3 4.2Å
73V97.9Very high96Very high19 Ų1939.7 Ų39.712%0.11520%0.204CC..Hα-helixtrans-66.1-46177.8178.20000110.6P68 S70 F71 L75 S76 N77 P99P68-V73 WeakPolarHBondContact O-CB 3.34Å; P68-V73 WeakPolarHBondContact O-CG1 3.43Å; S70-V73 PolarHBondContact O-N 2.91Å; S70-V73 VanDerWaalsContact O-N 3.09Å; F71-V73 VanDerWaalsContact C-N 3.35Å; F71-V73 PolarHBondContact O-N 2.83Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.33Å; V73-S76 PolarHBondContact O-N 3.1Å; V73-N77 WeakPolarHBondContact O-CB 3.37Å; V73-N77 PolarHBondContact O-N 3.19Å; V73-N77 PolarHBondContact O-ND2 3.19Å; V73-P99 HydrophobicContact CG2-CB 3.93Å; V73-P99 HydrophobicContact CG2-CG 4.05Å; V73-P99 WeakPolarHBondContact CG2-O 3.35Å
74Y97.8Very high96.3Very high74 Ų7435 Ų3529%0.2919%0.187SC..Hα-helixtrans-57.1-45.9175.3-73.1-70.6000112.3Q69 S70 F71 S78 L296 P304 H306 M307Q69-Y74 WeakPolarHBondContact O-CE2 3.24Å; S70-Y74 WeakPolarHBondContact O-CD2 3.44Å; S70-Y74 PolarHBondContact O-N 3.05Å; F71-Y74 PolarHBondContact O-N 2.98Å; Y74-S78 PolarHBondContact O-N 2.9Å; Y74-S78 VanDerWaalsContact O-N 3.12Å; Y74-L296 HydrophobicContact CD2-CD1 4.42Å; Y74-L296 HydrophobicContact CD2-CD2 4.45Å; Y74-L296 HydrophobicContact CG-CD2 4.22Å; Y74-P304 HydrophobicContact CD2-CG 4.49Å; Y74-P304 HydrophobicContact CE1-CG 3.86Å; Y74-P304 HydrophobicContact CE2-CG 3.78Å; Y74-P304 VanDerWaalsContact CZ-CG 3.44Å; Y74-P304 WeakPolarHBondContact OH-CG 3.27Å; Y74-H306 PolarHBondContact OH-CE1 3.31Å; Y74-M307 HydrophobicContact CD2-CE 4.4Å; Y74-M307 HydrophobicContact CE2-CE 4.18Å
75L97.6Very high96.5Very high0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-65.8-47.6179.4-88.8-79.6000111.8F71 A72 V73 N77 S78 G79 Y80 T82 L161 I295 L296 A299 L301F71-L75 WeakPolarHBondContact O-CB 3.18Å; F71-L75 WeakPolarHBondContact O-CD2 3.37Å; F71-L75 PolarHBondContact O-N 2.61Å; A72-L75 PolarHBondContact O-N 2.63Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.33Å; L75-N77 VanDerWaalsContact C-N 3.33Å; L75-N77 PolarHBondContact O-N 2.98Å; L75-S78 PolarHBondContact O-N 3.3Å; L75-S78 VanDerWaalsContact O-N 3.1Å; L75-S78 PolarHBondContact O-OG 3.15Å; L75-G79 PolarHBondContact O-N 3.49Å; L75-Y80 HydrophobicContact CB-CG 4.35Å; L75-Y80 HydrophobicContact CD1-CD1 3.55Å; L75-Y80 HydrophobicContact CD1-CD2 3.43Å; L75-Y80 VanDerWaalsContact CD1-CD2 3.43Å; L75-Y80 HydrophobicContact CD1-CE1 3.63Å; L75-Y80 HydrophobicContact CD1-CE2 3.54Å; L75-Y80 HydrophobicContact CD1-CG 3.45Å; L75-Y80 VanDerWaalsContact CD1-CG 3.45Å; L75-Y80 HydrophobicContact CG-CG 4.5Å; L75-Y80 WeakPolarHBondContact O-CB 3.4Å; L75-Y80 PolarHBondContact O-N 3.16Å; L75-Y80 VanDerWaalsContact O-N 3.16Å; L75-T82 HydrophobicContact CB-CG2 4.22Å; L75-L161 HydrophobicContact CB-CD2 4.06Å; L75-L161 HydrophobicContact CG-CD2 4.09Å; L75-I295 HydrophobicContact CD2-CG2 4.15Å; L75-I295 HydrophobicContact CG-CG2 4.3Å; L75-L296 HydrophobicContact CD2-CD2 3.35Å; L75-A299 HydrophobicContact CD1-CB 3.64Å; L75-A299 HydrophobicContact CD2-CB 4.36Å; L75-L301 HydrophobicContact CD2-CD1 3.75Å
76S96.9Very high96.7Very high31 Ų3124.8 Ų24.822%0.21714%0.139CC..Hα-helixtrans-57.2-46.6177.2-177.30000111.4A72 V73 S78 G79A72-S76 VanDerWaalsContact O-CB 3.32Å; A72-S76 WeakPolarHBondContact O-CB 3.43Å; A72-S76 PolarHBondContact O-N 3.48Å; V73-S76 PolarHBondContact O-N 3.1Å; S76-S78 PolarHBondContact O-N 3.19Å; S76-G79 PolarHBondContact O-N 3.44Å
77N96.8Very high96.7Very high130 Ų13024.5 Ų24.570%0.69514%0.138SC*.Hα-helixtrans-64.4-26.7178.5-69.3-11.3000112.9V73 L75 G79V73-N77 WeakPolarHBondContact O-CB 3.37Å; V73-N77 PolarHBondContact O-N 3.19Å; V73-N77 PolarHBondContact O-ND2 3.19Å; L75-N77 VanDerWaalsContact C-N 3.33Å; L75-N77 PolarHBondContact O-N 2.98Å; N77-G79 VanDerWaalsContact C-N 3.29Å
78S96.1Very high96.7Very high54 Ų5424.4 Ų24.438%0.37814%0.137SC..THydrogen-bonded Turntrans-82.4-0.6174.474.50000114.6Y74 L75 S76 Y80Y74-S78 PolarHBondContact O-N 2.9Å; Y74-S78 VanDerWaalsContact O-N 3.12Å; L75-S78 PolarHBondContact O-N 3.3Å; L75-S78 VanDerWaalsContact O-N 3.1Å; L75-S78 PolarHBondContact O-OG 3.15Å; S76-S78 PolarHBondContact O-N 3.19Å; S78-Y80 WeakPolarHBondContact OG-CD2 3.15Å
79G95.4Very high96.6Very high28 Ų2821.9 Ų21.929%0.28912%0.12SC..THydrogen-bonded Turntrans98.67.7175.500000115.6L75 S76 N77L75-G79 PolarHBondContact O-N 3.49Å; S76-G79 PolarHBondContact O-N 3.44Å; N77-G79 VanDerWaalsContact C-N 3.29Å
80Y97.1Very high96.4Very high16 Ų1618.4 Ų18.46%0.06310%0.104CC..  trans-66.5147.3169.8-81.1-114000110.8L75 S78 N102 P159 L161 A299 F600 I602L75-Y80 HydrophobicContact CB-CG 4.35Å; L75-Y80 HydrophobicContact CD1-CD1 3.55Å; L75-Y80 HydrophobicContact CD1-CD2 3.43Å; L75-Y80 VanDerWaalsContact CD1-CD2 3.43Å; L75-Y80 HydrophobicContact CD1-CE1 3.63Å; L75-Y80 HydrophobicContact CD1-CE2 3.54Å; L75-Y80 HydrophobicContact CD1-CG 3.45Å; L75-Y80 VanDerWaalsContact CD1-CG 3.45Å; L75-Y80 HydrophobicContact CG-CG 4.5Å; L75-Y80 WeakPolarHBondContact O-CB 3.4Å; L75-Y80 PolarHBondContact O-N 3.16Å; L75-Y80 VanDerWaalsContact O-N 3.16Å; S78-Y80 WeakPolarHBondContact OG-CD2 3.15Å; Y80-N102 PolarHBondContact O-OD1 3.29Å; Y80-P159 CarbonylContact C-O 3.59Å; Y80-P159 WeakPolarHBondContact CA-O 3.33Å; Y80-P159 HydrophobicContact CD1-CB 3.69Å; Y80-P159 HydrophobicContact CD1-CG 3.8Å; Y80-P159 HydrophobicContact CD2-CB 4.25Å; Y80-P159 HydrophobicContact CD2-CG 3.48Å; Y80-P159 VanDerWaalsContact CD2-CG 3.48Å; Y80-P159 HydrophobicContact CE1-CB 3.47Å; Y80-P159 VanDerWaalsContact CE1-CB 3.47Å; Y80-P159 HydrophobicContact CE1-CG 3.82Å; Y80-P159 HydrophobicContact CE2-CB 4.04Å; Y80-P159 HydrophobicContact CE2-CG 3.48Å; Y80-P159 VanDerWaalsContact CE2-CG 3.48Å; Y80-P159 HydrophobicContact CG-CB 4.08Å; Y80-P159 HydrophobicContact CG-CG 3.64Å; Y80-L161 HydrophobicContact CD1-CB 4.17Å; Y80-A299 HydrophobicContact CE2-CB 3.93Å; Y80-A299 WeakPolarHBondContact OH-CA 3.46Å; Y80-A299 WeakPolarHBondContact OH-CB 3.48Å; Y80-F600 WeakPolarHBondContact CE1-O 3.34Å; Y80-F600 PolarHBondContact OH-O 3.41Å; Y80-I602 HydrophobicContact CE1-CD1 4.35Å
81R97Very high95.9Very high18 Ų1822 Ų227%0.06812%0.121CC..EExtended strand (participates in β ladder)trans-85.8124156.3-99.6-167.5-43.1-54.76.2110.2N102 F147 S151 F155 P159 V160 L161R81-N102 VanDerWaalsContact CA-OD1 3.3Å; R81-N102 WeakPolarHBondContact CA-OD1 3.27Å; R81-F147 HydrophobicContact CB-CZ 4.14Å; R81-S151 VanDerWaalsContact NE-CB 3.3Å; R81-S151 PolarHBondContact NE-OG 3.43Å; R81-S151 VanDerWaalsContact NH2-CB 3.29Å; R81-S151 PolarHBondContact NH2-O 2.82Å; R81-F155 VanDerWaalsContact NH2-CB 3.35Å; R81-F155 PolarHBondContact NH2-O 3.32Å; R81-P159 PolarHBondContact N-O 3.14Å; R81-V160 HydrophobicContact CB-CG2 4.19Å; R81-V160 CarbonylContact O-C 3.39Å; R81-V160 VanDerWaalsContact O-CA 3.3Å; R81-V160 WeakPolarHBondContact O-CA 3.17Å; R81-L161 PolarHBondContact O-N 3.19Å
82T97.8Very high95.6Very high0 Ų021.9 Ų21.90%012%0.121CC..EExtended strand (participates in β ladder)trans-113.4131.4-17355.70000110.1L75 G100 W101 N102 E103 L161L75-T82 HydrophobicContact CB-CG2 4.22Å; T82-G100 WeakPolarHBondContact CB-O 3.45Å; T82-G100 WeakPolarHBondContact CG2-O 3.39Å; T82-G100 PolarHBondContact OG1-O 2.68Å; T82-W101 VanDerWaalsContact OG1-CA 3.26Å; T82-W101 WeakPolarHBondContact OG1-CA 3.02Å; T82-N102 PolarHBondContact N-OD1 3.41Å; T82-N102 WeakPolarHBondContact O-CA 3.39Å; T82-N102 WeakPolarHBondContact O-CB 3.49Å; T82-N102 PolarHBondContact O-N 3.47Å; T82-N102 PolarHBondContact OG1-N 3.1Å; T82-N102 VanDerWaalsContact OG1-N 3.08Å; T82-N102 PolarHBondContact OG1-OD1 3.03Å; T82-E103 PolarHBondContact O-N 2.94Å; T82-L161 CarbonylContact C-O 3.44Å; T82-L161 WeakPolarHBondContact CA-O 3.39Å; T82-L161 HydrophobicContact CG2-CB 4.12Å; T82-L161 HydrophobicContact CG2-CD2 3.88Å
83G97.8Very high95.3Very high0 Ų025.2 Ų25.20%014%0.138CC..EExtended strand (participates in β ladder)trans-131132.117700000112E103 L161 M162 V163G83-E103 WeakPolarHBondContact CA-O 3.34Å; G83-L161 PolarHBondContact N-O 2.76Å; G83-M162 CarbonylContact O-C 3.49Å; G83-M162 WeakPolarHBondContact O-CA 3.31Å; G83-V163 PolarHBondContact O-N 2.77Å
84Y98Very high95.1Very high4 Ų424.4 Ų24.42%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-117.3129.2174.9-165.2-81.7000110.7K87 Y88 W101 E103 W104 M105 A106 V163 S165Y84-K87 PolarHBondContact OH-O 3.34Å; Y84-Y88 HydrophobicContact CE1-CD2 4.31Å; Y84-Y88 HydrophobicContact CE2-CD2 4.21Å; Y84-Y88 AromaticContact CZ-CD2 3.9Å; Y84-Y88 WeakPolarHBondContact OH-CA 3.37Å; Y84-W101 HydrophobicContact CD2-CD2 4.45Å; Y84-W101 AromaticContact CD2-CE2 3.93Å; Y84-W101 AromaticContact CD2-CH2 3.7Å; Y84-W101 HydrophobicContact CD2-CH2 3.7Å; Y84-W101 AromaticContact CD2-CZ2 3.52Å; Y84-W101 HydrophobicContact CD2-CZ2 3.52Å; Y84-W101 HydrophobicContact CD2-CZ3 4.21Å; Y84-W101 HydrophobicContact CE2-CZ2 4.28Å; Y84-W101 HydrophobicContact CG-CZ2 4.37Å; Y84-E103 PolarHBondContact N-O 3.12Å; Y84-W104 VanDerWaalsContact CB-CZ3 3.5Å; Y84-W104 HydrophobicContact CD1-CE3 4.27Å; Y84-W104 HydrophobicContact CD1-CH2 4Å; Y84-W104 AromaticContact CD1-CZ3 3.75Å; Y84-W104 HydrophobicContact CD1-CZ3 3.75Å; Y84-W104 HydrophobicContact CD2-CZ3 4.11Å; Y84-W104 HydrophobicContact CE1-CH2 4.44Å; Y84-W104 HydrophobicContact CG-CE3 4.02Å; Y84-W104 HydrophobicContact CG-CH2 4.17Å; Y84-W104 AromaticContact CG-CZ3 3.51Å; Y84-W104 HydrophobicContact CG-CZ3 3.51Å; Y84-M105 PolarHBondContact O-N 2.9Å; Y84-A106 HydrophobicContact CD1-CB 4.49Å; Y84-V163 HydrophobicContact CD2-CB 3.69Å; Y84-V163 HydrophobicContact CD2-CG1 3.71Å; Y84-V163 HydrophobicContact CD2-CG2 4.37Å; Y84-V163 HydrophobicContact CE2-CB 3.98Å; Y84-V163 HydrophobicContact CE2-CG1 3.44Å; Y84-V163 VanDerWaalsContact CE2-CG1 3.44Å; Y84-V163 HydrophobicContact CG-CB 4.45Å; Y84-S165 WeakPolarHBondContact OH-CB 3.47Å
85F97.4Very high94.8Very high0 Ų023.9 Ų23.90%014%0.141CC..EExtended strand (participates in β ladder)trans-135.1115.5-177.2-53.2-88.7000110.2E103 M105 I140 D143 F147 V163 L164 S165F85-E103 HydrophobicContact CE1-CG 3.89Å; F85-E103 HydrophobicContact CZ-CB 4.17Å; F85-E103 HydrophobicContact CZ-CG 3.77Å; F85-M105 CarbonylContact C-O 3.52Å; F85-M105 VanDerWaalsContact CA-O 3.28Å; F85-M105 WeakPolarHBondContact CA-O 3.48Å; F85-M105 HydrophobicContact CB-CE 4.19Å; F85-M105 HydrophobicContact CD1-CB 3.88Å; F85-M105 HydrophobicContact CD1-CE 4.44Å; F85-M105 HydrophobicContact CE1-CB 4.45Å; F85-I140 HydrophobicContact CB-CG2 3.91Å; F85-D143 HydrophobicContact CD1-CB 3.86Å; F85-D143 HydrophobicContact CE1-CB 3.91Å; F85-F147 HydrophobicContact CE1-CB 4.27Å; F85-F147 HydrophobicContact CE2-CB 4.29Å; F85-F147 AromaticContact CE2-CD1 3.94Å; F85-F147 HydrophobicContact CE2-CD1 3.94Å; F85-F147 HydrophobicContact CE2-CG 4.27Å; F85-F147 HydrophobicContact CZ-CB 3.49Å; F85-F147 VanDerWaalsContact CZ-CB 3.49Å; F85-F147 AromaticContact CZ-CD1 3.9Å; F85-F147 HydrophobicContact CZ-CD1 3.9Å; F85-F147 AromaticContact CZ-CG 3.74Å; F85-F147 HydrophobicContact CZ-CG 3.74Å; F85-V163 PolarHBondContact N-O 2.8Å; F85-L164 HydrophobicContact CB-CD2 4.19Å; F85-L164 HydrophobicContact CD2-CD2 4.04Å; F85-L164 HydrophobicContact CG-CD2 4.44Å; F85-S165 PolarHBondContact O-N 3.03Å
86G95.7Very high94.7Very high0 Ų025.7 Ų25.70%015%0.148CC..EExtended strand (participates in β ladder)trans124.9-138.9170.800000114.9M105 A106 L107 S165G86-M105 PolarHBondContact N-O 3.26Å; G86-A106 CarbonylContact O-C 3.4Å; G86-A106 WeakPolarHBondContact O-CA 3.42Å; G86-L107 PolarHBondContact O-N 2.92Å; G86-S165 CarbonylContact C-O 3.59Å; G86-S165 VanDerWaalsContact CA-O 3.29Å; G86-S165 WeakPolarHBondContact CA-O 3.42Å
87K94.4Very high94.7Very high2 Ų226.4 Ų26.41%0.00915%0.151CC..  trans-83.1126.5-179.3179179.5176.2-173.10110.7C32 R36 Y84 S111 S165 P167C32-K87 PolarHBondContact SG-NZ 2.99Å; R36-K87 PolarHBondContact NH1-O 3.42Å; Y84-K87 PolarHBondContact OH-O 3.34Å; K87-S111 VanDerWaalsContact CD-OG 3.3Å; K87-S111 WeakPolarHBondContact CD-OG 3.22Å; K87-S111 WeakPolarHBondContact CE-OG 3.29Å; K87-S111 PolarHBondContact NZ-OG 3.46Å; K87-S165 PolarHBondContact N-O 2.93Å; K87-S165 VanDerWaalsContact O-CB 3.25Å; K87-S165 WeakPolarHBondContact O-CB 3.36Å; K87-S165 PolarHBondContact O-OG 2.89Å; K87-P167 HydrophobicContact CB-CG 4.16Å
88Y94.8Very high94.7Very high2 Ų220.3 Ų20.31%0.00812%0.119CC..  trans-90.2-121.8172.7-175.1-133.4000111R36 L40 W62 E67 Y84 Y92 P98 W104R36-Y88 WeakPolarHBondContact CD-O 3.46Å; L40-Y88 HydrophobicContact CD1-CD2 4.23Å; L40-Y88 HydrophobicContact CD1-CE2 3.5Å; L40-Y88 VanDerWaalsContact CD1-CE2 3.5Å; W62-Y88 WeakPolarHBondContact CZ2-OH 3.22Å; W62-Y88 PolarHBondContact NE1-OH 3.12Å; E67-Y88 PolarHBondContact OE1-OH 2.93Å; Y84-Y88 HydrophobicContact CE1-CD2 4.31Å; Y84-Y88 HydrophobicContact CE2-CD2 4.21Å; Y84-Y88 AromaticContact CZ-CD2 3.9Å; Y84-Y88 WeakPolarHBondContact OH-CA 3.37Å; Y88-Y92 HydrophobicContact CD1-CD2 4.08Å; Y88-Y92 HydrophobicContact CD1-CG 4.08Å; Y88-P98 HydrophobicContact CD1-CG 4.24Å; Y88-P98 HydrophobicContact CE1-CB 4.38Å; Y88-P98 HydrophobicContact CE1-CG 3.6Å; Y88-W104 AromaticContact CD1-CH2 3.75Å; Y88-W104 HydrophobicContact CD1-CH2 3.75Å; Y88-W104 AromaticContact CD1-CZ2 3.91Å; Y88-W104 HydrophobicContact CD1-CZ2 3.91Å; Y88-W104 AromaticContact CD2-CH2 3.67Å; Y88-W104 HydrophobicContact CD2-CH2 3.67Å; Y88-W104 HydrophobicContact CE1-CH2 4.09Å; Y88-W104 HydrophobicContact CE1-CZ2 4.46Å; Y88-W104 HydrophobicContact CE2-CH2 4.01Å; Y88-W104 AromaticContact CG-CH2 3.51Å; Y88-W104 HydrophobicContact CG-CH2 3.51Å; Y88-W104 AromaticContact CG-CZ2 3.94Å; Y88-W104 HydrophobicContact CG-CZ2 3.94Å
89L93.6Very high94.7Very high1 Ų120.2 Ų20.21%0.00512%0.117CC..SBendtrans-96.4155.7174.4-62-180000110.8R36 L40 C57 T58 W62 Y92R36-L89 HydrophobicContact CB-CD2 3.42Å; R36-L89 VanDerWaalsContact CB-CD2 3.42Å; L40-L89 HydrophobicContact CD1-CD2 4.22Å; L40-L89 HydrophobicContact CD1-CG 4.47Å; C57-L89 WeakPolarHBondContact O-CD1 3.37Å; T58-L89 HydrophobicContact CG2-CB 3.54Å; T58-L89 HydrophobicContact CG2-CD1 4.3Å; W62-L89 HydrophobicContact CD2-CD1 3.85Å; W62-L89 HydrophobicContact CE3-CD1 4.41Å; W62-L89 HydrophobicContact CG-CD1 4.36Å; W62-L89 HydrophobicContact CH2-CD1 4.25Å; W62-L89 HydrophobicContact CZ2-CD1 3.61Å; L89-Y92 WeakPolarHBondContact O-CB 3.47Å; L89-Y92 PolarHBondContact O-N 3.38Å
90N89.9Confident94.8Very high4 Ų419.5 Ų19.52%0.02111%0.109CC..THydrogen-bonded Turntrans-60.7150.3174.4-71.483.8000110.8C32 C33 N53 C57 T58 Y92 N110C32-N90 WeakPolarHBondContact CB-OD1 3.26Å; C33-N90 HydrophobicContact CB-CB 4.15Å; N53-N90 HydrophobicContact CB-CB 3.93Å; N53-N90 PolarHBondContact OD1-OD1 2.95Å; C57-N90 PolarHBondContact SG-N 2.83Å; C57-N90 VanDerWaalsContact SG-N 3.39Å; C57-N90 PolarHBondContact SG-O 3.45Å; T58-N90 VanDerWaalsContact CG2-O 3.27Å; T58-N90 WeakPolarHBondContact CG2-O 3.34Å; T58-N90 PolarHBondContact OG1-O 3.48Å; N90-Y92 PolarHBondContact O-N 3.27Å; N90-N110 PolarHBondContact ND2-OD1 2.97Å
91E85.9Confident94.8Very high77 Ų7719.6 Ų19.636%0.3611%0.109SC..THydrogen-bonded Turntrans56.517.9-179-51.4-53.7137.400114.3T58 D93 N110T58-E91 VanDerWaalsContact OG1-C 3.3Å; T58-E91 PolarHBondContact OG1-O 2.86Å; E91-D93 PolarHBondContact O-N 3.23Å; E91-N110 PolarHBondContact OE1-ND2 2.94Å
92Y92.9Very high94.8Very high0 Ų022.6 Ų22.60%013%0.127CC..  trans-60.2115.9165172-116000108.2Y88 L89 N90 G94 Y96 P98 W104 A106 K109 N119Y88-Y92 HydrophobicContact CD1-CD2 4.08Å; Y88-Y92 HydrophobicContact CD1-CG 4.08Å; L89-Y92 WeakPolarHBondContact O-CB 3.47Å; L89-Y92 PolarHBondContact O-N 3.38Å; N90-Y92 PolarHBondContact O-N 3.27Å; Y92-G94 VanDerWaalsContact C-N 3.32Å; Y92-Y96 HydrophobicContact CE2-CE1 4.26Å; Y92-Y96 WeakPolarHBondContact CE2-O 3.49Å; Y92-Y96 PolarHBondContact OH-O 2.92Å; Y92-P98 HydrophobicContact CE2-CG 4.42Å; Y92-W104 HydrophobicContact CE1-CZ2 4.08Å; Y92-W104 AromaticContact CE1-NE1 3.85Å; Y92-W104 HydrophobicContact CE2-CZ2 4.44Å; Y92-W104 AromaticContact CZ-CZ2 3.93Å; Y92-W104 AromaticContact CZ-NE1 3.63Å; Y92-W104 PolarHBondContact OH-NE1 3.05Å; Y92-A106 HydrophobicContact CD1-CB 4.41Å; Y92-A106 HydrophobicContact CE1-CB 3.99Å; Y92-K109 PolarHBondContact O-N 2.85Å; Y92-N119 HydrophobicContact CE1-CB 4.05Å; Y92-N119 WeakPolarHBondContact OH-CB 3.39Å; Y92-N119 PolarHBondContact OH-ND2 2.81Å
93D91.5Very high94.8Very high70 Ų7023.5 Ų23.537%0.37413%0.131SC..  trans-83.4-12.3-170.270.9-11.4000112.2E91 S95 R124E91-D93 PolarHBondContact O-N 3.23Å; D93-S95 WeakPolarHBondContact OD1-CB 3.35Å; D93-S95 PolarHBondContact OD1-N 3.08Å; D93-S95 PolarHBondContact OD1-OG 2.97Å; D93-S95 VanDerWaalsContact OD2-CB 3.26Å; D93-S95 WeakPolarHBondContact OD2-CB 3.46Å; D93-S95 PolarHBondContact OD2-OG 3.31Å; D93-R124 PolarHBondContact O-NH1 2.99Å; D93-R124 PolarHBondContact O-NH2 2.75Å
94G92.6Very high94.8Very high1 Ų123.5 Ų23.51%0.0113%0.131CC..SBendtrans74.416.9-17600000115Y92 N119 R124Y92-G94 VanDerWaalsContact C-N 3.32Å; G94-N119 PolarHBondContact O-ND2 3.06Å; G94-R124 PolarHBondContact O-NH2 3.05Å
95S92.5Very high94.7Very high64 Ų6423.3 Ų23.345%0.44813%0.13SC..SBendtrans-78.9-16.5-17760.40000114.4D93D93-S95 WeakPolarHBondContact OD1-CB 3.35Å; D93-S95 PolarHBondContact OD1-N 3.08Å; D93-S95 PolarHBondContact OD1-OG 2.97Å; D93-S95 VanDerWaalsContact OD2-CB 3.26Å; D93-S95 WeakPolarHBondContact OD2-CB 3.46Å; D93-S95 PolarHBondContact OD2-OG 3.31Å
96Y94.8Very high94.7Very high38 Ų3823.3 Ų23.315%0.14913%0.13CC..SBendtrans-152.5161.9-178.968.1-73.3000110.4R63 E67 Y92 P98R63-Y96 WeakPolarHBondContact CG-OH 3.39Å; R63-Y96 VanDerWaalsContact NE-CE1 3.29Å; R63-Y96 VanDerWaalsContact NH2-CD1 3.3Å; E67-Y96 PolarHBondContact OE1-OH 3.27Å; E67-Y96 VanDerWaalsContact OE2-CE2 3.23Å; E67-Y96 WeakPolarHBondContact OE2-CE2 3.31Å; E67-Y96 PolarHBondContact OE2-OH 2.82Å; Y92-Y96 HydrophobicContact CE2-CE1 4.26Å; Y92-Y96 WeakPolarHBondContact CE2-O 3.49Å; Y92-Y96 PolarHBondContact OH-O 2.92Å; Y96-P98 HydrophobicContact CE2-CB 4.29Å; Y96-P98 HydrophobicContact CE2-CG 3.98Å
97V96.8Very high94.7Very high46 Ų4623.4 Ų23.428%0.27913%0.131SC..PPolyproline II helixtrans-89.1123.4167.1175.50000107.9W101 W104V97-W101 HydrophobicContact CG1-CB 4.38Å; V97-W104 HydrophobicContact CB-CB 4.49Å; V97-W104 HydrophobicContact CB-CG 4.41Å; V97-W104 HydrophobicContact CG1-CB 3.62Å; V97-W104 HydrophobicContact CG1-CD2 4.17Å; V97-W104 HydrophobicContact CG1-CG 3.76Å; V97-W104 HydrophobicContact CG2-CB 4.13Å; V97-W104 HydrophobicContact CG2-CG 4.14Å
98P96.6Very high94.6Very high2 Ų224.3 Ų24.31%0.01314%0.135CC..PPolyproline II helixtrans-54.4143.7175.7-30.840.1000112.6E67 Y88 Y92 Y96 W104E67-P98 HydrophobicContact CG-CB 4.2Å; E67-P98 WeakPolarHBondContact OE1-CB 3.39Å; Y88-P98 HydrophobicContact CD1-CG 4.24Å; Y88-P98 HydrophobicContact CE1-CB 4.38Å; Y88-P98 HydrophobicContact CE1-CG 3.6Å; Y92-P98 HydrophobicContact CE2-CG 4.42Å; Y96-P98 HydrophobicContact CE2-CB 4.29Å; Y96-P98 HydrophobicContact CE2-CG 3.98Å; P98-W104 HydrophobicContact CB-CH2 4.25Å; P98-W104 HydrophobicContact CB-CZ3 4.37Å; P98-W104 VanDerWaalsContact CD-CE2 3.46Å; P98-W104 HydrophobicContact CG-CH2 3.51Å; P98-W104 HydrophobicContact CG-CZ2 3.59Å; P98-W104 HydrophobicContact CG-CZ3 4.05Å
99P96.9Very high94.3Very high52 Ų5230.1 Ų30.134%0.33816%0.16SC..THydrogen-bonded Turntrans-59.7150.8179.227.7-36.9000111.2E67 V73E67-P99 HydrophobicContact CG-CG 4.03Å; E67-P99 WeakPolarHBondContact OE2-CD 3.13Å; V73-P99 HydrophobicContact CG2-CB 3.93Å; V73-P99 HydrophobicContact CG2-CG 4.05Å; V73-P99 WeakPolarHBondContact CG2-O 3.35Å
100G97Very high93.7Very high12 Ų1233.6 Ų33.612%0.12418%0.179CC..THydrogen-bonded Turntrans87.42177.500000115.3T82T82-G100 WeakPolarHBondContact CB-O 3.45Å; T82-G100 WeakPolarHBondContact CG2-O 3.39Å; T82-G100 PolarHBondContact OG1-O 2.68Å
101W97.6Very high93.5Very high18 Ų1833.8 Ų33.87%0.06818%0.181CC..  trans-111.6122.8176.2-58.4105.3000111.9F71 A72 T82 Y84 V97 W104 L161 V163F71-W101 HydrophobicContact CE2-CH2 4.12Å; A72-W101 HydrophobicContact CB-CD2 4.03Å; A72-W101 VanDerWaalsContact CB-CE2 3.43Å; A72-W101 HydrophobicContact CB-CE3 4.37Å; A72-W101 HydrophobicContact CB-CH2 3.64Å; A72-W101 HydrophobicContact CB-CZ2 3.24Å; A72-W101 HydrophobicContact CB-CZ3 4.2Å; T82-W101 VanDerWaalsContact OG1-CA 3.26Å; T82-W101 WeakPolarHBondContact OG1-CA 3.02Å; Y84-W101 HydrophobicContact CD2-CD2 4.45Å; Y84-W101 AromaticContact CD2-CE2 3.93Å; Y84-W101 AromaticContact CD2-CH2 3.7Å; Y84-W101 HydrophobicContact CD2-CH2 3.7Å; Y84-W101 AromaticContact CD2-CZ2 3.52Å; Y84-W101 HydrophobicContact CD2-CZ2 3.52Å; Y84-W101 HydrophobicContact CD2-CZ3 4.21Å; Y84-W101 HydrophobicContact CE2-CZ2 4.28Å; Y84-W101 HydrophobicContact CG-CZ2 4.37Å; V97-W101 HydrophobicContact CG1-CB 4.38Å; W101-W104 HydrophobicContact CB-CE3 3.86Å; W101-W104 AromaticContact CD1-CE3 3.56Å; W101-W104 AromaticContact CD1-CZ3 3.37Å; W101-W104 HydrophobicContact CD2-CE3 4.26Å; W101-W104 HydrophobicContact CD2-CZ3 4.18Å; W101-W104 AromaticContact CG-CE3 3.59Å; W101-W104 HydrophobicContact CG-CE3 3.59Å; W101-W104 AromaticContact CG-CZ3 3.77Å; W101-W104 HydrophobicContact CG-CZ3 3.77Å; W101-W104 AromaticContact NE1-CZ3 3.51Å; W101-L161 HydrophobicContact CH2-CD2 4.37Å; W101-L161 HydrophobicContact CZ3-CD2 4.19Å; W101-V163 HydrophobicContact CH2-CB 4.18Å; W101-V163 HydrophobicContact CH2-CG2 3.58Å; W101-V163 HydrophobicContact CZ3-CB 4.49Å; W101-V163 HydrophobicContact CZ3-CG2 4.08Å
102N96Very high93.6Very high82 Ų8236.5 Ų36.544%0.43919%0.188SC..SBendtrans-84.7-32.5173.2-55.7121.5000112.5Y80 R81 T82Y80-N102 PolarHBondContact O-OD1 3.29Å; R81-N102 VanDerWaalsContact CA-OD1 3.3Å; R81-N102 WeakPolarHBondContact CA-OD1 3.27Å; T82-N102 PolarHBondContact N-OD1 3.41Å; T82-N102 WeakPolarHBondContact O-CA 3.39Å; T82-N102 WeakPolarHBondContact O-CB 3.49Å; T82-N102 PolarHBondContact O-N 3.47Å; T82-N102 PolarHBondContact OG1-N 3.1Å; T82-N102 VanDerWaalsContact OG1-N 3.08Å; T82-N102 PolarHBondContact OG1-OD1 3.03Å
103E97.3Very high93.4Very high19 Ų1936.5 Ų36.59%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-121.8132.2170.5-165.390.6-145.900109.2T82 G83 Y84 F85 Y120 N121 F147 R150T82-E103 PolarHBondContact O-N 2.94Å; G83-E103 WeakPolarHBondContact CA-O 3.34Å; Y84-E103 PolarHBondContact N-O 3.12Å; F85-E103 HydrophobicContact CE1-CG 3.89Å; F85-E103 HydrophobicContact CZ-CB 4.17Å; F85-E103 HydrophobicContact CZ-CG 3.77Å; E103-Y120 PolarHBondContact OE1-OH 2.78Å; E103-N121 PolarHBondContact OE1-ND2 3.33Å; E103-F147 HydrophobicContact CB-CD2 3.44Å; E103-F147 VanDerWaalsContact CB-CD2 3.44Å; E103-F147 HydrophobicContact CB-CE2 3.6Å; E103-F147 HydrophobicContact CB-CG 4.1Å; E103-F147 HydrophobicContact CB-CZ 4.38Å; E103-F147 HydrophobicContact CG-CB 4.34Å; E103-F147 HydrophobicContact CG-CD2 3.85Å; E103-F147 HydrophobicContact CG-CE2 4.5Å; E103-F147 HydrophobicContact CG-CG 4.26Å; E103-F147 WeakPolarHBondContact OE2-CD2 3.33Å; E103-R150 IonicContact OE1-NH2 3.95Å; E103-R150 PolarHBondContact OE1-NH2 3.1Å; E103-R150 IonicContact OE2-CZ 3.05Å; E103-R150 IonicContact OE2-NH2 2.81Å; E103-R150 PolarHBondContact OE2-NH2 2.95Å
104W97.9Very high93.5Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-135117-175.6-175.4-101.1000110.7Y84 Y88 Y92 V97 P98 W101 A106 Y120 N121Y84-W104 VanDerWaalsContact CB-CZ3 3.5Å; Y84-W104 HydrophobicContact CD1-CE3 4.27Å; Y84-W104 HydrophobicContact CD1-CH2 4Å; Y84-W104 AromaticContact CD1-CZ3 3.75Å; Y84-W104 HydrophobicContact CD1-CZ3 3.75Å; Y84-W104 HydrophobicContact CD2-CZ3 4.11Å; Y84-W104 HydrophobicContact CE1-CH2 4.44Å; Y84-W104 HydrophobicContact CG-CE3 4.02Å; Y84-W104 HydrophobicContact CG-CH2 4.17Å; Y84-W104 AromaticContact CG-CZ3 3.51Å; Y84-W104 HydrophobicContact CG-CZ3 3.51Å; Y88-W104 AromaticContact CD1-CH2 3.75Å; Y88-W104 HydrophobicContact CD1-CH2 3.75Å; Y88-W104 AromaticContact CD1-CZ2 3.91Å; Y88-W104 HydrophobicContact CD1-CZ2 3.91Å; Y88-W104 AromaticContact CD2-CH2 3.67Å; Y88-W104 HydrophobicContact CD2-CH2 3.67Å; Y88-W104 HydrophobicContact CE1-CH2 4.09Å; Y88-W104 HydrophobicContact CE1-CZ2 4.46Å; Y88-W104 HydrophobicContact CE2-CH2 4.01Å; Y88-W104 AromaticContact CG-CH2 3.51Å; Y88-W104 HydrophobicContact CG-CH2 3.51Å; Y88-W104 AromaticContact CG-CZ2 3.94Å; Y88-W104 HydrophobicContact CG-CZ2 3.94Å; Y92-W104 HydrophobicContact CE1-CZ2 4.08Å; Y92-W104 AromaticContact CE1-NE1 3.85Å; Y92-W104 HydrophobicContact CE2-CZ2 4.44Å; Y92-W104 AromaticContact CZ-CZ2 3.93Å; Y92-W104 AromaticContact CZ-NE1 3.63Å; Y92-W104 PolarHBondContact OH-NE1 3.05Å; V97-W104 HydrophobicContact CB-CB 4.49Å; V97-W104 HydrophobicContact CB-CG 4.41Å; V97-W104 HydrophobicContact CG1-CB 3.62Å; V97-W104 HydrophobicContact CG1-CD2 4.17Å; V97-W104 HydrophobicContact CG1-CG 3.76Å; V97-W104 HydrophobicContact CG2-CB 4.13Å; V97-W104 HydrophobicContact CG2-CG 4.14Å; P98-W104 HydrophobicContact CB-CH2 4.25Å; P98-W104 HydrophobicContact CB-CZ3 4.37Å; P98-W104 VanDerWaalsContact CD-CE2 3.46Å; P98-W104 HydrophobicContact CG-CH2 3.51Å; P98-W104 HydrophobicContact CG-CZ2 3.59Å; P98-W104 HydrophobicContact CG-CZ3 4.05Å; W101-W104 HydrophobicContact CB-CE3 3.86Å; W101-W104 AromaticContact CD1-CE3 3.56Å; W101-W104 AromaticContact CD1-CZ3 3.37Å; W101-W104 HydrophobicContact CD2-CE3 4.26Å; W101-W104 HydrophobicContact CD2-CZ3 4.18Å; W101-W104 AromaticContact CG-CE3 3.59Å; W101-W104 HydrophobicContact CG-CE3 3.59Å; W101-W104 AromaticContact CG-CZ3 3.77Å; W101-W104 HydrophobicContact CG-CZ3 3.77Å; W101-W104 AromaticContact NE1-CZ3 3.51Å; W104-A106 HydrophobicContact CD2-CB 4.19Å; W104-A106 HydrophobicContact CH2-CB 4.09Å; W104-A106 HydrophobicContact CZ2-CB 3.27Å; W104-Y120 CarbonylContact O-C 3.59Å; W104-Y120 WeakPolarHBondContact O-CA 3.48Å; W104-N121 PolarHBondContact N-OD1 3.26Å; W104-N121 PolarHBondContact O-N 2.9Å; W104-N121 PolarHBondContact O-OD1 3.29Å
105M97.3Very high93.6Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-131.399.2168-170.8-78.2-78.200107.7Y84 F85 G86 I118 N119 Y120 F136 I140Y84-M105 PolarHBondContact O-N 2.9Å; F85-M105 CarbonylContact C-O 3.52Å; F85-M105 VanDerWaalsContact CA-O 3.28Å; F85-M105 WeakPolarHBondContact CA-O 3.48Å; F85-M105 HydrophobicContact CB-CE 4.19Å; F85-M105 HydrophobicContact CD1-CB 3.88Å; F85-M105 HydrophobicContact CD1-CE 4.44Å; F85-M105 HydrophobicContact CE1-CB 4.45Å; G86-M105 PolarHBondContact N-O 3.26Å; M105-I118 HydrophobicContact CG-CD1 3.93Å; M105-I118 HydrophobicContact SD-CB 4.47Å; M105-I118 HydrophobicContact SD-CD1 4.19Å; M105-I118 HydrophobicContact SD-CG2 4.12Å; M105-N119 WeakPolarHBondContact CA-O 3.45Å; M105-Y120 HydrophobicContact CB-CD2 4.12Å; M105-Y120 HydrophobicContact CB-CE2 4.41Å; M105-Y120 HydrophobicContact CG-CD2 3.77Å; M105-Y120 HydrophobicContact CG-CE2 4.26Å; M105-F136 HydrophobicContact CE-CE2 4.01Å; M105-F136 HydrophobicContact SD-CE2 3.56Å; M105-F136 VanDerWaalsContact SD-CE2 3.56Å; M105-F136 HydrophobicContact SD-CZ 4.12Å; M105-I140 HydrophobicContact CE-CB 4.21Å; M105-I140 HydrophobicContact CE-CG1 3.63Å
106A96.6Very high93.6Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-128.8139.6-17700000114.1Y84 G86 Y92 W104 I108 I118 N119Y84-A106 HydrophobicContact CD1-CB 4.49Å; G86-A106 CarbonylContact O-C 3.4Å; G86-A106 WeakPolarHBondContact O-CA 3.42Å; Y92-A106 HydrophobicContact CD1-CB 4.41Å; Y92-A106 HydrophobicContact CE1-CB 3.99Å; W104-A106 HydrophobicContact CD2-CB 4.19Å; W104-A106 HydrophobicContact CH2-CB 4.09Å; W104-A106 HydrophobicContact CZ2-CB 3.27Å; A106-I108 PolarHBondContact O-N 2.91Å; A106-I118 CarbonylContact O-C 3.59Å; A106-I118 VanDerWaalsContact O-CA 3.25Å; A106-I118 WeakPolarHBondContact O-CA 3.37Å; A106-N119 PolarHBondContact N-O 2.89Å; A106-N119 PolarHBondContact O-N 3.38Å
107L95.3Very high93.7Very high2 Ų237.8 Ų37.81%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-64.9130.2175.5-164.768.3000111G86 N110 Y116 I118 F136G86-L107 PolarHBondContact O-N 2.92Å; L107-N110 WeakPolarHBondContact CD2-O 3.29Å; L107-Y116 HydrophobicContact CD1-CD2 3.53Å; L107-Y116 HydrophobicContact CD1-CE2 4.41Å; L107-Y116 HydrophobicContact CD1-CG 3.68Å; L107-I118 HydrophobicContact CD1-CG2 4.37Å; L107-F136 HydrophobicContact CB-CE1 4.09Å; L107-F136 HydrophobicContact CB-CZ 3.84Å; L107-F136 HydrophobicContact CD1-CE1 4.18Å; L107-F136 HydrophobicContact CD1-CE2 4.32Å; L107-F136 HydrophobicContact CD1-CZ 4.07Å; L107-F136 HydrophobicContact CD2-CE1 4.24Å; L107-F136 HydrophobicContact CG-CE1 4.42Å; L107-F136 HydrophobicContact CG-CZ 4.44Å
108I93.8Very high93.7Very high21 Ų2135.8 Ų35.811%0.10818%0.178CC..SBendtrans-82.1128.5173.7-60.9179.5000108.6A106 T117 N119 R124A106-I108 PolarHBondContact O-N 2.91Å; I108-T117 WeakPolarHBondContact CB-O 3.3Å; I108-T117 HydrophobicContact CD1-CG2 3.74Å; I108-T117 PolarHBondContact N-O 3.47Å; I108-N119 HydrophobicContact CD1-CB 4.4Å; I108-N119 HydrophobicContact CG1-CB 4.41Å; I108-R124 HydrophobicContact CD1-CG 3.99Å
109K87.5Confident93.8Very high123 Ų12335.7 Ų35.754%0.53518%0.178SC..SBendtrans68.6-115.1-176.2-59171178.2-177.20114.9Y92Y92-K109 PolarHBondContact O-N 2.85Å
110N81.5Confident93.8Very high75 Ų7536.4 Ų36.440%0.40117%0.174SC..SBendtrans-111156.6-163-73.2-56.3000111.9N90 E91 L107 R112N90-N110 PolarHBondContact ND2-OD1 2.97Å; E91-N110 PolarHBondContact OE1-ND2 2.94Å; L107-N110 WeakPolarHBondContact CD2-O 3.29Å; N110-R112 PolarHBondContact O-N 2.88Å
111S84.8Confident93.8Very high7 Ų739.1 Ų39.15%0.04919%0.186CC..  trans-49.2126.7179.6-59.50000112.7K87K87-S111 VanDerWaalsContact CD-OG 3.3Å; K87-S111 WeakPolarHBondContact CD-OG 3.22Å; K87-S111 WeakPolarHBondContact CE-OG 3.29Å; K87-S111 PolarHBondContact NZ-OG 3.46Å
112R88.4Confident93.7Very high134 Ų13440.6 Ų40.651%0.50621%0.206SC..  trans-149155.4175.2-70.3-65.5-175.3160.11.2108.7N110 Y116N110-R112 PolarHBondContact O-N 2.88Å; R112-Y116 HydrophobicContact CB-CD1 4.37Å
113F89.8Confident93.7Very high0 Ų045.8 Ų45.80%022%0.22CC..SBendtrans-110.4-19.9174.2-62-79.5000113.3Y116 Y135 F136 P167 A168 H170 P172 D174 L210F113-Y116 VanDerWaalsContact O-CE1 3.32Å; F113-Y116 WeakPolarHBondContact O-CE1 3.3Å; F113-Y135 HydrophobicContact CB-CD2 4.25Å; F113-Y135 HydrophobicContact CB-CE2 3.85Å; F113-Y135 HydrophobicContact CD1-CE2 4.1Å; F113-Y135 HydrophobicContact CG-CE2 4.26Å; F113-F136 PolarHBondContact O-N 2.89Å; F113-P167 HydrophobicContact CE1-CB 4.42Å; F113-P167 HydrophobicContact CZ-CB 4.34Å; F113-A168 HydrophobicContact CE1-CB 3.93Å; F113-A168 HydrophobicContact CZ-CB 3.98Å; F113-H170 WeakPolarHBondContact CE2-O 3.31Å; F113-P172 HydrophobicContact CD2-CG 4.44Å; F113-P172 WeakPolarHBondContact CD2-O 3.34Å; F113-P172 WeakPolarHBondContact CE2-O 3.45Å; F113-D174 HydrophobicContact CB-CB 4.45Å; F113-D174 HydrophobicContact CD2-CB 4.39Å; F113-L210 HydrophobicContact CD1-CD2 4.36Å; F113-L210 HydrophobicContact CD2-CD2 4.09Å; F113-L210 HydrophobicContact CE1-CD2 4Å; F113-L210 HydrophobicContact CE2-CD1 4.25Å; F113-L210 HydrophobicContact CE2-CD2 3.71Å; F113-L210 HydrophobicContact CG-CD2 4.42Å; F113-L210 HydrophobicContact CZ-CD1 4.34Å; F113-L210 HydrophobicContact CZ-CD2 3.67Å
114Y92.6Very high93.7Very high35 Ų3551 Ų5114%0.13724%0.239CC..SBendtrans-144164.3177.6-62.7-71000110.1Y116 D129 D134 Y135 D174Y114-Y116 VanDerWaalsContact C-CD1 3.42Å; Y114-Y116 PolarHBondContact O-N 2.9Å; Y114-D129 HydrophobicContact CD1-CB 4.46Å; Y114-D134 HydrophobicContact CD1-CB 4.3Å; Y114-Y135 AromaticContact CE1-CD2 3.88Å; Y114-Y135 HydrophobicContact CE1-CD2 3.88Å; Y114-Y135 AromaticContact CE2-CD2 3.83Å; Y114-Y135 HydrophobicContact CE2-CD2 3.83Å; Y114-Y135 HydrophobicContact CE2-CE2 4.13Å; Y114-Y135 AromaticContact CZ-CD2 3.42Å; Y114-Y135 VanDerWaalsContact CZ-CD2 3.42Å; Y114-Y135 WeakPolarHBondContact OH-CD2 3.17Å; Y114-D174 HydrophobicContact CD2-CB 4.29Å; Y114-D174 HydrophobicContact CE2-CB 4.38Å
115N93.7Very high93.6Very high108 Ų10853.1 Ų53.158%0.57825%0.252SS*.SBendtrans52.252.4176.8-69.2-51.5000112.9H127 G128N115-H127 WeakPolarHBondContact CA-O 3.28Å; N115-G128 PolarHBondContact N-O 3.31Å
116Y94.4Very high93.6Very high10 Ų1061.5 Ų61.54%0.03929%0.288CS..  trans-125.7171.3-176.758.4-91.1000112.2L107 R112 F113 Y114 I118 H127 D134 F136 L139L107-Y116 HydrophobicContact CD1-CD2 3.53Å; L107-Y116 HydrophobicContact CD1-CE2 4.41Å; L107-Y116 HydrophobicContact CD1-CG 3.68Å; R112-Y116 HydrophobicContact CB-CD1 4.37Å; F113-Y116 VanDerWaalsContact O-CE1 3.32Å; F113-Y116 WeakPolarHBondContact O-CE1 3.3Å; Y114-Y116 VanDerWaalsContact C-CD1 3.42Å; Y114-Y116 PolarHBondContact O-N 2.9Å; Y116-I118 HydrophobicContact CD2-CG2 3.69Å; Y116-I118 HydrophobicContact CE2-CG2 3.64Å; Y116-H127 HydrophobicContact CD1-CB 4.49Å; Y116-H127 HydrophobicContact CD2-CB 4.15Å; Y116-H127 HydrophobicContact CE1-CB 4.04Å; Y116-H127 HydrophobicContact CE2-CB 3.71Å; Y116-H127 AromaticContact CE2-CD2 3.7Å; Y116-H127 AromaticContact CE2-CG 3.77Å; Y116-H127 AromaticContact CZ-CG 3.87Å; Y116-H127 PolarHBondContact N-O 2.86Å; Y116-H127 PolarHBondContact O-N 2.86Å; Y116-D134 WeakPolarHBondContact CE1-O 3.41Å; Y116-D134 VanDerWaalsContact CZ-O 3.3Å; Y116-D134 PolarHBondContact OH-O 3.45Å; Y116-F136 HydrophobicContact CD1-CB 4.5Å; Y116-F136 HydrophobicContact CD2-CD2 4.25Å; Y116-F136 HydrophobicContact CE1-CB 3.74Å; Y116-F136 HydrophobicContact CE1-CD2 4.42Å; Y116-F136 HydrophobicContact CE1-CG 4.35Å; Y116-F136 HydrophobicContact CE2-CB 4.33Å; Y116-F136 AromaticContact CE2-CD2 3.47Å; Y116-F136 HydrophobicContact CE2-CD2 3.47Å; Y116-F136 VanDerWaalsContact CE2-CD2 3.47Å; Y116-F136 HydrophobicContact CE2-CE2 4.08Å; Y116-F136 HydrophobicContact CE2-CG 4.14Å; Y116-F136 AromaticContact CZ-CD2 3.59Å; Y116-F136 AromaticContact CZ-CG 3.94Å; Y116-F136 VanDerWaalsContact OH-CA 3.31Å; Y116-F136 WeakPolarHBondContact OH-CA 3.3Å; Y116-F136 PolarHBondContact OH-N 3.41Å; Y116-L139 WeakPolarHBondContact OH-CD1 3.47Å
117T96.5Very high93.5Very high48 Ų4862.9 Ų62.929%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-123.2137171.1-52.50000108.6I108 R124 V125I108-T117 WeakPolarHBondContact CB-O 3.3Å; I108-T117 HydrophobicContact CD1-CG2 3.74Å; I108-T117 PolarHBondContact N-O 3.47Å; T117-R124 HydrophobicContact CG2-CB 4.2Å; T117-V125 CarbonylContact C-O 3.52Å; T117-V125 VanDerWaalsContact CA-O 3.3Å; T117-V125 WeakPolarHBondContact CA-O 3.09Å; T117-V125 VanDerWaalsContact CG2-O 3.28Å; T117-V125 WeakPolarHBondContact CG2-O 3.4Å
118I96.8Very high93.5Very high4 Ų464 Ų642%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-110.3152.8173.260.2177.1000109.7M105 A106 L107 Y116 Y120 R124 V125 F136M105-I118 HydrophobicContact CG-CD1 3.93Å; M105-I118 HydrophobicContact SD-CB 4.47Å; M105-I118 HydrophobicContact SD-CD1 4.19Å; M105-I118 HydrophobicContact SD-CG2 4.12Å; A106-I118 CarbonylContact O-C 3.59Å; A106-I118 VanDerWaalsContact O-CA 3.25Å; A106-I118 WeakPolarHBondContact O-CA 3.37Å; L107-I118 HydrophobicContact CD1-CG2 4.37Å; Y116-I118 HydrophobicContact CD2-CG2 3.69Å; Y116-I118 HydrophobicContact CE2-CG2 3.64Å; I118-Y120 HydrophobicContact CD1-CD2 4.25Å; I118-R124 CarbonylContact O-C 3.55Å; I118-R124 WeakPolarHBondContact O-CA 3.06Å; I118-V125 HydrophobicContact CD1-CB 4.34Å; I118-V125 HydrophobicContact CG1-CB 3.89Å; I118-V125 PolarHBondContact N-O 2.89Å; I118-V125 PolarHBondContact O-N 2.81Å; I118-F136 HydrophobicContact CG2-CD2 4.39Å; I118-F136 HydrophobicContact CG2-CE2 3.73Å; I118-F136 HydrophobicContact CG2-CZ 4.48Å
119N97.1Very high93.4Very high0 Ų068 Ų680%033%0.328CS..EExtended strand (participates in β ladder)trans-91.6115.3156.2-178.4-43.7000107.2Y92 G94 M105 A106 I108 G122Y92-N119 HydrophobicContact CE1-CB 4.05Å; Y92-N119 WeakPolarHBondContact OH-CB 3.39Å; Y92-N119 PolarHBondContact OH-ND2 2.81Å; G94-N119 PolarHBondContact O-ND2 3.06Å; M105-N119 WeakPolarHBondContact CA-O 3.45Å; A106-N119 PolarHBondContact N-O 2.89Å; A106-N119 PolarHBondContact O-N 3.38Å; I108-N119 HydrophobicContact CD1-CB 4.4Å; I108-N119 HydrophobicContact CG1-CB 4.41Å; N119-G122 VanDerWaalsContact OD1-CA 3.28Å; N119-G122 WeakPolarHBondContact OD1-CA 3.43Å; N119-G122 PolarHBondContact OD1-N 2.97Å
120Y97.1Very high93.7Very high66 Ų6669.3 Ų69.326%0.25933%0.33SS..EExtended strand (participates in β ladder)trans-109.8102.6175.3-168.5-81.9000108.7E103 W104 M105 I118 G122 R123 D143E103-Y120 PolarHBondContact OE1-OH 2.78Å; W104-Y120 CarbonylContact O-C 3.59Å; W104-Y120 WeakPolarHBondContact O-CA 3.48Å; M105-Y120 HydrophobicContact CB-CD2 4.12Å; M105-Y120 HydrophobicContact CB-CE2 4.41Å; M105-Y120 HydrophobicContact CG-CD2 3.77Å; M105-Y120 HydrophobicContact CG-CE2 4.26Å; I118-Y120 HydrophobicContact CD1-CD2 4.25Å; Y120-G122 VanDerWaalsContact C-N 3.27Å; Y120-G122 PolarHBondContact O-N 2.85Å; Y120-R123 PolarHBondContact N-O 2.96Å; Y120-R123 WeakPolarHBondContact O-CB 3.42Å; Y120-R123 PolarHBondContact O-N 2.77Å; Y120-D143 WeakPolarHBondContact CE2-OD2 3.37Å
121N96.8Very high94.1Very high70 Ų7067.9 Ų67.937%0.37432%0.319SS..THydrogen-bonded Turntrans46.644.7-178-63.6-38.5000114.2E103 W104E103-N121 PolarHBondContact OE1-ND2 3.33Å; W104-N121 PolarHBondContact N-OD1 3.26Å; W104-N121 PolarHBondContact O-N 2.9Å; W104-N121 PolarHBondContact O-OD1 3.29Å
122G95.8Very high94.3Very high48 Ų4875.9 Ų75.950%0.49536%0.355SS..THydrogen-bonded Turntrans91.6-14.3-179.800000114.5N119 Y120N119-G122 VanDerWaalsContact OD1-CA 3.28Å; N119-G122 WeakPolarHBondContact OD1-CA 3.43Å; N119-G122 PolarHBondContact OD1-N 2.97Å; Y120-G122 VanDerWaalsContact C-N 3.27Å; Y120-G122 PolarHBondContact O-N 2.85Å
123R96.7Very high94.5Very high191 Ų19174 Ų7472%0.72135%0.352SS*.EExtended strand (participates in β ladder)trans-95129.5176.9-174.9179.1176.5-176.7-0.6110.8Y120 V125Y120-R123 PolarHBondContact N-O 2.96Å; Y120-R123 WeakPolarHBondContact O-CB 3.42Å; Y120-R123 PolarHBondContact O-N 2.77Å; R123-V125 HydrophobicContact CG-CG2 4.27Å; R123-V125 PolarHBondContact O-N 2.88Å
124R96.4Very high94.6Very high128 Ų12874.6 Ų74.648%0.48336%0.356SS..EExtended strand (participates in β ladder)trans-77.2122.9171.6-63.5172.4-177.2-99.60.1109.8D93 G94 I108 T117 I118D93-R124 PolarHBondContact O-NH1 2.99Å; D93-R124 PolarHBondContact O-NH2 2.75Å; G94-R124 PolarHBondContact O-NH2 3.05Å; I108-R124 HydrophobicContact CD1-CG 3.99Å; T117-R124 HydrophobicContact CG2-CB 4.2Å; I118-R124 CarbonylContact O-C 3.55Å; I118-R124 WeakPolarHBondContact O-CA 3.06Å
125V96.4Very high94.6Very high46 Ų4673 Ų7328%0.27935%0.349SS..EExtended strand (participates in β ladder)trans-121.5128.3178.8-176.70000109T117 I118 R123T117-V125 CarbonylContact C-O 3.52Å; T117-V125 VanDerWaalsContact CA-O 3.3Å; T117-V125 WeakPolarHBondContact CA-O 3.09Å; T117-V125 VanDerWaalsContact CG2-O 3.28Å; T117-V125 WeakPolarHBondContact CG2-O 3.4Å; I118-V125 HydrophobicContact CD1-CB 4.34Å; I118-V125 HydrophobicContact CG1-CB 3.89Å; I118-V125 PolarHBondContact N-O 2.89Å; I118-V125 PolarHBondContact O-N 2.81Å; R123-V125 HydrophobicContact CG-CG2 4.27Å; R123-V125 PolarHBondContact O-N 2.88Å
126K96.6Very high94.6Very high175 Ų17567.9 Ų67.976%0.76132%0.322SS*.EExtended strand (participates in β ladder)trans-97.2132179.6-172.8-179178.9-173.60109.4
127H96Very high94.5Very high29 Ų2967.4 Ų67.413%0.13432%0.32CS..  trans-111.3147.1176.5-76.6-86.7000110.7N115 Y116 D134 L139N115-H127 WeakPolarHBondContact CA-O 3.28Å; Y116-H127 HydrophobicContact CD1-CB 4.49Å; Y116-H127 HydrophobicContact CD2-CB 4.15Å; Y116-H127 HydrophobicContact CE1-CB 4.04Å; Y116-H127 HydrophobicContact CE2-CB 3.71Å; Y116-H127 AromaticContact CE2-CD2 3.7Å; Y116-H127 AromaticContact CE2-CG 3.77Å; Y116-H127 AromaticContact CZ-CG 3.87Å; Y116-H127 PolarHBondContact N-O 2.86Å; Y116-H127 PolarHBondContact O-N 2.86Å; H127-D134 WeakPolarHBondContact CA-OD1 3.38Å; H127-D134 HydrophobicContact CB-CB 4.29Å; H127-D134 VanDerWaalsContact CB-OD1 3.27Å; H127-D134 WeakPolarHBondContact CB-OD1 3.27Å; H127-D134 IonicContact CG-OD1 3.94Å; H127-D134 IonicContact ND1-OD1 2.91Å; H127-D134 PolarHBondContact ND1-OD1 3.47Å; H127-L139 WeakPolarHBondContact CE1-CD1 3.2Å
128G95Very high94.3Very high25 Ų2566.9 Ų66.926%0.25832%0.315SS..  trans-92.9-141178.500000112.7N115 D134N115-G128 PolarHBondContact N-O 3.31Å; G128-D134 VanDerWaalsContact C-CG 3.45Å; G128-D134 WeakPolarHBondContact CA-OD2 3.46Å; G128-D134 PolarHBondContact N-OD1 3.08Å; G128-D134 PolarHBondContact N-OD2 3.45Å; G128-D134 WeakPolarHBondContact O-CB 3.28Å
129D92.5Very high94.1Very high107 Ų10767.9 Ų67.957%0.57232%0.321SS*.SBendtrans-123.412-176.560.2-2.4000113.9Y114 Y131 D134Y114-D129 HydrophobicContact CD1-CB 4.46Å; D129-Y131 PolarHBondContact O-N 3.08Å; D129-D134 PolarHBondContact N-OD2 3Å
130R93Very high94Very high149 Ų14967.9 Ų67.956%0.56232%0.321SS*.  trans-80.1112.2178.6-65.5-171-69.4-177.8-5.1109.9H132 E133 D134R130-H132 VanDerWaalsContact C-N 3.34Å; R130-H132 PolarHBondContact O-N 3.35Å; R130-H132 VanDerWaalsContact O-N 3.14Å; R130-E133 HydrophobicContact CB-CB 4.45Å; R130-E133 IonicContact CZ-OE1 3.75Å; R130-E133 IonicContact CZ-OE2 3.71Å; R130-E133 IonicContact NE-OE1 2.69Å; R130-E133 PolarHBondContact NE-OE1 2.9Å; R130-E133 IonicContact NE-OE2 3.72Å; R130-E133 PolarHBondContact NE-OE2 3.23Å; R130-E133 IonicContact NH1-OE1 3.03Å; R130-E133 PolarHBondContact NH1-OE1 2.96Å; R130-E133 VanDerWaalsContact NH1-OE1 3.16Å; R130-E133 IonicContact NH1-OE2 3.69Å; R130-E133 VanDerWaalsContact NH2-CD 3.32Å; R130-E133 IonicContact NH2-OE1 2.82Å; R130-E133 PolarHBondContact NH2-OE1 3.01Å; R130-E133 IonicContact NH2-OE2 3.76Å; R130-E133 PolarHBondContact NH2-OE2 2.91Å; R130-E133 PolarHBondContact O-N 2.77Å; R130-D134 PolarHBondContact N-OD2 3.33Å; R130-D134 WeakPolarHBondContact O-CB 3.39Å; R130-D134 PolarHBondContact O-N 3.05Å
131Y89.7Confident93.7Very high46 Ų4664.9 Ų64.918%0.1831%0.31CS..Hα-helixtrans-44.8-51.7-175.7170-111.7000114.4D129 E133 Y135 D138 A176 P177 Q178D129-Y131 PolarHBondContact O-N 3.08Å; Y131-E133 PolarHBondContact O-N 2.55Å; Y131-Y135 HydrophobicContact CD2-CD1 4.36Å; Y131-Y135 HydrophobicContact CD2-CD2 4.44Å; Y131-Y135 AromaticContact CD2-CG 3.91Å; Y131-Y135 HydrophobicContact CD2-CG 3.91Å; Y131-Y135 AromaticContact CE2-CD1 3.81Å; Y131-Y135 HydrophobicContact CE2-CD1 3.81Å; Y131-Y135 AromaticContact CE2-CG 3.83Å; Y131-Y135 HydrophobicContact CE2-CG 3.83Å; Y131-Y135 WeakPolarHBondContact O-CB 3.47Å; Y131-Y135 PolarHBondContact O-N 3.38Å; Y131-D138 WeakPolarHBondContact CE2-OD2 3.42Å; Y131-D138 PolarHBondContact OH-OD2 2.9Å; Y131-A176 HydrophobicContact CD2-CB 4.14Å; Y131-A176 HydrophobicContact CE2-CB 3.49Å; Y131-A176 VanDerWaalsContact CE2-CB 3.49Å; Y131-P177 HydrophobicContact CD1-CG 4.49Å; Y131-P177 HydrophobicContact CD2-CG 4.28Å; Y131-P177 HydrophobicContact CG-CG 4Å; Y131-Q178 PolarHBondContact OH-NE2 2.99Å
132H90.1Very high93.5Very high174 Ų17465.9 Ų65.981%0.80632%0.315SS*.Hα-helixtrans-65.8-18.2-175.1-63-66.7000114.9R130R130-H132 VanDerWaalsContact C-N 3.34Å; R130-H132 PolarHBondContact O-N 3.35Å; R130-H132 VanDerWaalsContact O-N 3.14Å
133E90.7Very high93.4Very high95 Ų9564.9 Ų64.944%0.44430%0.298SS..Hα-helixtrans-116.9-32.5-174.9-61.4-180-14900112.7R130 Y131R130-E133 HydrophobicContact CB-CB 4.45Å; R130-E133 IonicContact CZ-OE1 3.75Å; R130-E133 IonicContact CZ-OE2 3.71Å; R130-E133 IonicContact NE-OE1 2.69Å; R130-E133 PolarHBondContact NE-OE1 2.9Å; R130-E133 IonicContact NE-OE2 3.72Å; R130-E133 PolarHBondContact NE-OE2 3.23Å; R130-E133 IonicContact NH1-OE1 3.03Å; R130-E133 PolarHBondContact NH1-OE1 2.96Å; R130-E133 VanDerWaalsContact NH1-OE1 3.16Å; R130-E133 IonicContact NH1-OE2 3.69Å; R130-E133 VanDerWaalsContact NH2-CD 3.32Å; R130-E133 IonicContact NH2-OE1 2.82Å; R130-E133 PolarHBondContact NH2-OE1 3.01Å; R130-E133 IonicContact NH2-OE2 3.76Å; R130-E133 PolarHBondContact NH2-OE2 2.91Å; R130-E133 PolarHBondContact O-N 2.77Å; Y131-E133 PolarHBondContact O-N 2.55Å
134D93.5Very high93.3Very high13 Ų1355.8 Ų55.87%0.0726%0.264CS..Hα-helixtrans-116-6.3-165-64.1-55.9000113.5Y114 Y116 H127 G128 D129 R130 F136Y114-D134 HydrophobicContact CD1-CB 4.3Å; Y116-D134 WeakPolarHBondContact CE1-O 3.41Å; Y116-D134 VanDerWaalsContact CZ-O 3.3Å; Y116-D134 PolarHBondContact OH-O 3.45Å; H127-D134 WeakPolarHBondContact CA-OD1 3.38Å; H127-D134 HydrophobicContact CB-CB 4.29Å; H127-D134 VanDerWaalsContact CB-OD1 3.27Å; H127-D134 WeakPolarHBondContact CB-OD1 3.27Å; H127-D134 IonicContact CG-OD1 3.94Å; H127-D134 IonicContact ND1-OD1 2.91Å; H127-D134 PolarHBondContact ND1-OD1 3.47Å; G128-D134 VanDerWaalsContact C-CG 3.45Å; G128-D134 WeakPolarHBondContact CA-OD2 3.46Å; G128-D134 PolarHBondContact N-OD1 3.08Å; G128-D134 PolarHBondContact N-OD2 3.45Å; G128-D134 WeakPolarHBondContact O-CB 3.28Å; D129-D134 PolarHBondContact N-OD2 3Å; R130-D134 PolarHBondContact N-OD2 3.33Å; R130-D134 WeakPolarHBondContact O-CB 3.39Å; R130-D134 PolarHBondContact O-N 3.05Å; D134-F136 PolarHBondContact O-N 3.43Å
135Y92.8Very high93.1Very high2 Ų251.2 Ų51.21%0.00825%0.248CC..  trans-68.6110.1-180-168.4-118.9000111.2F113 Y114 Y131 T137 D138 L139 A176 P213F113-Y135 HydrophobicContact CB-CD2 4.25Å; F113-Y135 HydrophobicContact CB-CE2 3.85Å; F113-Y135 HydrophobicContact CD1-CE2 4.1Å; F113-Y135 HydrophobicContact CG-CE2 4.26Å; Y114-Y135 AromaticContact CE1-CD2 3.88Å; Y114-Y135 HydrophobicContact CE1-CD2 3.88Å; Y114-Y135 AromaticContact CE2-CD2 3.83Å; Y114-Y135 HydrophobicContact CE2-CD2 3.83Å; Y114-Y135 HydrophobicContact CE2-CE2 4.13Å; Y114-Y135 AromaticContact CZ-CD2 3.42Å; Y114-Y135 VanDerWaalsContact CZ-CD2 3.42Å; Y114-Y135 WeakPolarHBondContact OH-CD2 3.17Å; Y131-Y135 HydrophobicContact CD2-CD1 4.36Å; Y131-Y135 HydrophobicContact CD2-CD2 4.44Å; Y131-Y135 AromaticContact CD2-CG 3.91Å; Y131-Y135 HydrophobicContact CD2-CG 3.91Å; Y131-Y135 AromaticContact CE2-CD1 3.81Å; Y131-Y135 HydrophobicContact CE2-CD1 3.81Å; Y131-Y135 AromaticContact CE2-CG 3.83Å; Y131-Y135 HydrophobicContact CE2-CG 3.83Å; Y131-Y135 WeakPolarHBondContact O-CB 3.47Å; Y131-Y135 PolarHBondContact O-N 3.38Å; Y135-T137 VanDerWaalsContact C-N 3.27Å; Y135-T137 VanDerWaalsContact CE1-CB 3.5Å; Y135-T137 HydrophobicContact CE1-CG2 4.35Å; Y135-T137 PolarHBondContact O-N 2.97Å; Y135-T137 VanDerWaalsContact O-N 3.14Å; Y135-D138 HydrophobicContact CD1-CB 4.35Å; Y135-D138 PolarHBondContact O-N 3.48Å; Y135-L139 PolarHBondContact O-N 3.4Å; Y135-L139 VanDerWaalsContact O-N 3.16Å; Y135-A176 HydrophobicContact CD1-CB 4Å; Y135-A176 HydrophobicContact CE1-CB 3.57Å; Y135-A176 HydrophobicContact CE2-CB 4.33Å; Y135-A176 PolarHBondContact OH-N 2.94Å; Y135-P213 HydrophobicContact CE1-CB 4.01Å; Y135-P213 HydrophobicContact CE1-CG 3.88Å
136F93.7Very high92.9Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-59.4-35.6-166.3-171.5-129.6000114M105 L107 F113 Y116 I118 D134 D138 L139 I140 P167M105-F136 HydrophobicContact CE-CE2 4.01Å; M105-F136 HydrophobicContact SD-CE2 3.56Å; M105-F136 VanDerWaalsContact SD-CE2 3.56Å; M105-F136 HydrophobicContact SD-CZ 4.12Å; L107-F136 HydrophobicContact CB-CE1 4.09Å; L107-F136 HydrophobicContact CB-CZ 3.84Å; L107-F136 HydrophobicContact CD1-CE1 4.18Å; L107-F136 HydrophobicContact CD1-CE2 4.32Å; L107-F136 HydrophobicContact CD1-CZ 4.07Å; L107-F136 HydrophobicContact CD2-CE1 4.24Å; L107-F136 HydrophobicContact CG-CE1 4.42Å; L107-F136 HydrophobicContact CG-CZ 4.44Å; F113-F136 PolarHBondContact O-N 2.89Å; Y116-F136 HydrophobicContact CD1-CB 4.5Å; Y116-F136 HydrophobicContact CD2-CD2 4.25Å; Y116-F136 HydrophobicContact CE1-CB 3.74Å; Y116-F136 HydrophobicContact CE1-CD2 4.42Å; Y116-F136 HydrophobicContact CE1-CG 4.35Å; Y116-F136 HydrophobicContact CE2-CB 4.33Å; Y116-F136 AromaticContact CE2-CD2 3.47Å; Y116-F136 HydrophobicContact CE2-CD2 3.47Å; Y116-F136 VanDerWaalsContact CE2-CD2 3.47Å; Y116-F136 HydrophobicContact CE2-CE2 4.08Å; Y116-F136 HydrophobicContact CE2-CG 4.14Å; Y116-F136 AromaticContact CZ-CD2 3.59Å; Y116-F136 AromaticContact CZ-CG 3.94Å; Y116-F136 VanDerWaalsContact OH-CA 3.31Å; Y116-F136 WeakPolarHBondContact OH-CA 3.3Å; Y116-F136 PolarHBondContact OH-N 3.41Å; I118-F136 HydrophobicContact CG2-CD2 4.39Å; I118-F136 HydrophobicContact CG2-CE2 3.73Å; I118-F136 HydrophobicContact CG2-CZ 4.48Å; D134-F136 PolarHBondContact O-N 3.43Å; F136-D138 VanDerWaalsContact C-N 3.29Å; F136-D138 PolarHBondContact O-N 3.42Å; F136-L139 PolarHBondContact O-N 3.5Å; F136-I140 HydrophobicContact CD1-CD1 3.97Å; F136-I140 HydrophobicContact CE1-CD1 3.76Å; F136-I140 HydrophobicContact CE1-CG1 4.31Å; F136-I140 HydrophobicContact CE2-CG1 4.33Å; F136-I140 HydrophobicContact CZ-CD1 4.12Å; F136-I140 HydrophobicContact CZ-CG1 4.2Å; F136-I140 WeakPolarHBondContact O-CG1 3.08Å; F136-I140 PolarHBondContact O-N 2.81Å; F136-P167 HydrophobicContact CD1-CG 3.6Å; F136-P167 HydrophobicContact CE1-CG 3.52Å
137T91.8Very high92.8Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-62.8-37.1177.9-55.90000112.1Y135 A141 F166 P213 I217Y135-T137 VanDerWaalsContact C-N 3.27Å; Y135-T137 VanDerWaalsContact CE1-CB 3.5Å; Y135-T137 HydrophobicContact CE1-CG2 4.35Å; Y135-T137 PolarHBondContact O-N 2.97Å; Y135-T137 VanDerWaalsContact O-N 3.14Å; T137-A141 PolarHBondContact O-N 2.99Å; T137-F166 HydrophobicContact CG2-CD1 3.8Å; T137-F166 HydrophobicContact CG2-CE1 3.9Å; T137-P213 HydrophobicContact CG2-CB 3.69Å; T137-I217 HydrophobicContact CG2-CD1 3.62Å; T137-I217 WeakPolarHBondContact O-CD1 3.39Å
138D91.5Very high92.6Very high36 Ų3644.7 Ų44.719%0.19322%0.22CC..Hα-helixtrans-75.7-34.5178.6-67.9-6.4000110.7Y131 Y135 F136 A141 N142Y131-D138 WeakPolarHBondContact CE2-OD2 3.42Å; Y131-D138 PolarHBondContact OH-OD2 2.9Å; Y135-D138 HydrophobicContact CD1-CB 4.35Å; Y135-D138 PolarHBondContact O-N 3.48Å; F136-D138 VanDerWaalsContact C-N 3.29Å; F136-D138 PolarHBondContact O-N 3.42Å; D138-A141 WeakPolarHBondContact O-CB 3.45Å; D138-A141 PolarHBondContact O-N 3.41Å; D138-N142 WeakPolarHBondContact O-CB 3.26Å; D138-N142 VanDerWaalsContact O-CG 3.29Å; D138-N142 PolarHBondContact O-N 3.03Å; D138-N142 PolarHBondContact O-ND2 2.75Å
139L93.2Very high92.5Very high26 Ų2650 Ų5014%0.13624%0.236CC..Hα-helixtrans-61.9-45.7171.6-69-174.6000112.4Y116 H127 Y135 F136 A141 N142 D143Y116-L139 WeakPolarHBondContact OH-CD1 3.47Å; H127-L139 WeakPolarHBondContact CE1-CD1 3.2Å; Y135-L139 PolarHBondContact O-N 3.4Å; Y135-L139 VanDerWaalsContact O-N 3.16Å; F136-L139 PolarHBondContact O-N 3.5Å; L139-A141 PolarHBondContact O-N 3.33Å; L139-N142 PolarHBondContact O-N 3.08Å; L139-D143 WeakPolarHBondContact O-CB 3.48Å; L139-D143 PolarHBondContact O-N 3.07Å
140I94.1Very high92.6Very high0 Ų050 Ų500%023%0.228CC..Hα-helixtrans-52.9-46.5174.6-68.8168000109.9F85 M105 F136 S144 L164 F166F85-I140 HydrophobicContact CB-CG2 3.91Å; M105-I140 HydrophobicContact CE-CB 4.21Å; M105-I140 HydrophobicContact CE-CG1 3.63Å; F136-I140 HydrophobicContact CD1-CD1 3.97Å; F136-I140 HydrophobicContact CE1-CD1 3.76Å; F136-I140 HydrophobicContact CE1-CG1 4.31Å; F136-I140 HydrophobicContact CE2-CG1 4.33Å; F136-I140 HydrophobicContact CZ-CD1 4.12Å; F136-I140 HydrophobicContact CZ-CG1 4.2Å; F136-I140 WeakPolarHBondContact O-CG1 3.08Å; F136-I140 PolarHBondContact O-N 2.81Å; I140-S144 VanDerWaalsContact O-CB 3.28Å; I140-S144 WeakPolarHBondContact O-CB 3.21Å; I140-S144 PolarHBondContact O-N 3.46Å; I140-S144 PolarHBondContact O-OG 3.38Å; I140-L164 HydrophobicContact CG2-CD2 4.24Å; I140-F166 HydrophobicContact CB-CD1 4.26Å; I140-F166 HydrophobicContact CB-CE1 3.81Å; I140-F166 HydrophobicContact CD1-CD1 3.78Å; I140-F166 HydrophobicContact CD1-CE1 4.23Å; I140-F166 HydrophobicContact CD1-CG 4.47Å; I140-F166 HydrophobicContact CG2-CD1 4Å; I140-F166 HydrophobicContact CG2-CE1 3.45Å; I140-F166 VanDerWaalsContact CG2-CE1 3.45Å; I140-F166 HydrophobicContact CG2-CE2 4.46Å; I140-F166 HydrophobicContact CG2-CZ 3.72Å
141A91.6Very high92.6Very high3 Ų343 Ų433%0.02520%0.202CC..Hα-helixtrans-65.5-50.8-179.200000113T137 D138 L139 S144 I145 I217T137-A141 PolarHBondContact O-N 2.99Å; D138-A141 WeakPolarHBondContact O-CB 3.45Å; D138-A141 PolarHBondContact O-N 3.41Å; L139-A141 PolarHBondContact O-N 3.33Å; A141-S144 PolarHBondContact O-OG 3.32Å; A141-S144 VanDerWaalsContact O-OG 3.04Å; A141-I145 WeakPolarHBondContact O-CB 3.2Å; A141-I145 WeakPolarHBondContact O-CD1 3.44Å; A141-I145 WeakPolarHBondContact O-CG1 3.47Å; A141-I145 PolarHBondContact O-N 3.09Å; A141-I217 HydrophobicContact CB-CB 4.19Å; A141-I217 HydrophobicContact CB-CD1 3.65Å; A141-I217 HydrophobicContact CB-CG1 3.66Å; A141-I217 HydrophobicContact CB-CG2 3.43Å; A141-I217 VanDerWaalsContact CB-CG2 3.43Å
142N92.3Very high92.6Very high90 Ų9042.7 Ų42.748%0.48120%0.202SC..Hα-helixtrans-64.1-46.7-175.2-71.7-19000111.2D138 L139 I145 N146D138-N142 WeakPolarHBondContact O-CB 3.26Å; D138-N142 VanDerWaalsContact O-CG 3.29Å; D138-N142 PolarHBondContact O-N 3.03Å; D138-N142 PolarHBondContact O-ND2 2.75Å; L139-N142 PolarHBondContact O-N 3.08Å; N142-I145 PolarHBondContact O-N 3.23Å; N142-N146 WeakPolarHBondContact O-CB 3.19Å; N142-N146 PolarHBondContact O-N 3.17Å; N142-N146 PolarHBondContact O-ND2 3.18Å
143D93.9Very high92.8Very high28 Ų2841.1 Ų41.115%0.1520%0.199CC..Hα-helixtrans-67.9-39.1-177.8-73-8.4000112.1F85 Y120 L139 N146 F147F85-D143 HydrophobicContact CD1-CB 3.86Å; F85-D143 HydrophobicContact CE1-CB 3.91Å; Y120-D143 WeakPolarHBondContact CE2-OD2 3.37Å; L139-D143 WeakPolarHBondContact O-CB 3.48Å; L139-D143 PolarHBondContact O-N 3.07Å; D143-N146 PolarHBondContact O-N 3.43Å; D143-F147 WeakPolarHBondContact O-CB 3.36Å; D143-F147 PolarHBondContact O-N 3.33Å
144S94Very high93Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-69.7-37.4177.253.70000113I140 A141 N146 F147 F148 L164 F222I140-S144 VanDerWaalsContact O-CB 3.28Å; I140-S144 WeakPolarHBondContact O-CB 3.21Å; I140-S144 PolarHBondContact O-N 3.46Å; I140-S144 PolarHBondContact O-OG 3.38Å; A141-S144 PolarHBondContact O-OG 3.32Å; A141-S144 VanDerWaalsContact O-OG 3.04Å; S144-N146 VanDerWaalsContact C-N 3.35Å; S144-F147 PolarHBondContact O-N 3.05Å; S144-F148 WeakPolarHBondContact O-CB 3.41Å; S144-F148 PolarHBondContact O-N 2.87Å; S144-L164 WeakPolarHBondContact OG-CD2 3.32Å; S144-F222 VanDerWaalsContact OG-CZ 3.22Å; S144-F222 WeakPolarHBondContact OG-CZ 3Å
145I92.1Very high93Very high31 Ų3145.8 Ų45.816%0.15922%0.223CC..Hα-helixtrans-63.4-43171.5-69.1165.9000110.5A141 N142 F148 K149 F222A141-I145 WeakPolarHBondContact O-CB 3.2Å; A141-I145 WeakPolarHBondContact O-CD1 3.44Å; A141-I145 WeakPolarHBondContact O-CG1 3.47Å; A141-I145 PolarHBondContact O-N 3.09Å; N142-I145 PolarHBondContact O-N 3.23Å; I145-F148 PolarHBondContact O-N 3.04Å; I145-K149 HydrophobicContact CG2-CD 4.07Å; I145-K149 HydrophobicContact CG2-CG 4.45Å; I145-K149 WeakPolarHBondContact O-CG 3.36Å; I145-K149 PolarHBondContact O-N 3.34Å; I145-F222 HydrophobicContact CD1-CE2 4.26Å; I145-F222 HydrophobicContact CD1-CZ 4.27Å; I145-F222 HydrophobicContact CG1-CE1 3.93Å; I145-F222 HydrophobicContact CG1-CE2 4.02Å; I145-F222 HydrophobicContact CG1-CZ 3.53Å
146N93.3Very high92.8Very high78 Ų7849.8 Ų49.842%0.41725%0.249SC..Hα-helixtrans-63.5-45.8177.6-73.7-23.8000111.5N142 D143 S144 F148 K149 R150N142-N146 WeakPolarHBondContact O-CB 3.19Å; N142-N146 PolarHBondContact O-N 3.17Å; N142-N146 PolarHBondContact O-ND2 3.18Å; D143-N146 PolarHBondContact O-N 3.43Å; S144-N146 VanDerWaalsContact C-N 3.35Å; N146-F148 VanDerWaalsContact C-N 3.33Å; N146-F148 PolarHBondContact O-N 3.1Å; N146-K149 PolarHBondContact O-N 3.48Å; N146-R150 WeakPolarHBondContact O-CB 3.37Å; N146-R150 VanDerWaalsContact O-CG 3.27Å; N146-R150 WeakPolarHBondContact O-CG 3.2Å; N146-R150 PolarHBondContact O-N 3.48Å
147F94.9Very high92.6Very high5 Ų558 Ų582%0.02229%0.286CS..Hα-helixtrans-57.8-45.1173168.8-106.5000111.9R81 F85 E103 D143 S144 S151 V160 M162R81-F147 HydrophobicContact CB-CZ 4.14Å; F85-F147 HydrophobicContact CE1-CB 4.27Å; F85-F147 HydrophobicContact CE2-CB 4.29Å; F85-F147 AromaticContact CE2-CD1 3.94Å; F85-F147 HydrophobicContact CE2-CD1 3.94Å; F85-F147 HydrophobicContact CE2-CG 4.27Å; F85-F147 HydrophobicContact CZ-CB 3.49Å; F85-F147 VanDerWaalsContact CZ-CB 3.49Å; F85-F147 AromaticContact CZ-CD1 3.9Å; F85-F147 HydrophobicContact CZ-CD1 3.9Å; F85-F147 AromaticContact CZ-CG 3.74Å; F85-F147 HydrophobicContact CZ-CG 3.74Å; E103-F147 HydrophobicContact CB-CD2 3.44Å; E103-F147 VanDerWaalsContact CB-CD2 3.44Å; E103-F147 HydrophobicContact CB-CE2 3.6Å; E103-F147 HydrophobicContact CB-CG 4.1Å; E103-F147 HydrophobicContact CB-CZ 4.38Å; E103-F147 HydrophobicContact CG-CB 4.34Å; E103-F147 HydrophobicContact CG-CD2 3.85Å; E103-F147 HydrophobicContact CG-CE2 4.5Å; E103-F147 HydrophobicContact CG-CG 4.26Å; E103-F147 WeakPolarHBondContact OE2-CD2 3.33Å; D143-F147 WeakPolarHBondContact O-CB 3.36Å; D143-F147 PolarHBondContact O-N 3.33Å; S144-F147 PolarHBondContact O-N 3.05Å; F147-S151 WeakPolarHBondContact CE2-OG 3.47Å; F147-S151 WeakPolarHBondContact O-CB 3.42Å; F147-S151 PolarHBondContact O-N 3.45Å; F147-S151 PolarHBondContact O-OG 3.39Å; F147-V160 HydrophobicContact CE1-CG1 3.79Å; F147-V160 HydrophobicContact CZ-CG1 4.41Å; F147-M162 HydrophobicContact CD1-CG 3.83Å; F147-M162 HydrophobicContact CD1-SD 3.79Å; F147-M162 HydrophobicContact CE1-CG 3.72Å; F147-M162 HydrophobicContact CE1-SD 4.24Å
148F92Very high92.7Very high31 Ų3162.7 Ų62.714%0.13631%0.307CS..Hα-helixtrans-60.6-50.4178-178.1-101.1000111.8S144 I145 N146 S151 M152 V160 M162 L225S144-F148 WeakPolarHBondContact O-CB 3.41Å; S144-F148 PolarHBondContact O-N 2.87Å; I145-F148 PolarHBondContact O-N 3.04Å; N146-F148 VanDerWaalsContact C-N 3.33Å; N146-F148 PolarHBondContact O-N 3.1Å; F148-S151 WeakPolarHBondContact O-CB 3.49Å; F148-S151 PolarHBondContact O-N 2.84Å; F148-M152 HydrophobicContact CD1-CG 4.28Å; F148-M152 HydrophobicContact CD2-CG 4.41Å; F148-M152 HydrophobicContact CE1-CG 3.71Å; F148-M152 HydrophobicContact CE2-CE 3.98Å; F148-M152 HydrophobicContact CE2-CG 3.85Å; F148-M152 HydrophobicContact CE2-SD 4.1Å; F148-M152 HydrophobicContact CZ-CE 4.42Å; F148-M152 HydrophobicContact CZ-CG 3.44Å; F148-M152 VanDerWaalsContact CZ-CG 3.44Å; F148-M152 HydrophobicContact CZ-SD 3.93Å; F148-M152 WeakPolarHBondContact O-CG 3.35Å; F148-M152 PolarHBondContact O-N 3.06Å; F148-V160 HydrophobicContact CD2-CG1 4.42Å; F148-M162 HydrophobicContact CB-CE 4.1Å; F148-M162 HydrophobicContact CB-SD 3.81Å; F148-M162 HydrophobicContact CD2-CE 3.81Å; F148-M162 HydrophobicContact CD2-SD 4.22Å; F148-M162 HydrophobicContact CG-CE 4.2Å; F148-M162 HydrophobicContact CG-SD 4.45Å; F148-L225 HydrophobicContact CD1-CD1 4.46Å; F148-L225 HydrophobicContact CD1-CD2 3.96Å; F148-L225 HydrophobicContact CD2-CD1 4.24Å; F148-L225 HydrophobicContact CD2-CD2 3.67Å; F148-L225 HydrophobicContact CE1-CD1 3.71Å; F148-L225 HydrophobicContact CE1-CD2 4.04Å; F148-L225 HydrophobicContact CE1-CG 4.38Å; F148-L225 HydrophobicContact CE2-CD1 3.46Å; F148-L225 VanDerWaalsContact CE2-CD1 3.46Å; F148-L225 HydrophobicContact CE2-CD2 3.77Å; F148-L225 HydrophobicContact CE2-CG 4.28Å; F148-L225 HydrophobicContact CG-CD2 3.79Å; F148-L225 HydrophobicContact CZ-CD1 3.15Å; F148-L225 HydrophobicContact CZ-CD2 3.97Å; F148-L225 HydrophobicContact CZ-CG 4.16Å
149K92Very high92.9Very high135 Ų13562 Ų6259%0.58730%0.304SS*.Hα-helixtrans-59.8-50178.4-73.2176.1179.1177.20111.8I145 N146 S151 M152 L153I145-K149 HydrophobicContact CG2-CD 4.07Å; I145-K149 HydrophobicContact CG2-CG 4.45Å; I145-K149 WeakPolarHBondContact O-CG 3.36Å; I145-K149 PolarHBondContact O-N 3.34Å; N146-K149 PolarHBondContact O-N 3.48Å; K149-S151 VanDerWaalsContact C-N 3.27Å; K149-S151 PolarHBondContact O-N 3.32Å; K149-M152 PolarHBondContact O-N 2.86Å; K149-L153 WeakPolarHBondContact O-CB 3.23Å; K149-L153 PolarHBondContact O-N 3.41Å
150R94.9Very high93Very high108 Ų10860.8 Ų60.841%0.40830%0.298SS..Hα-helixtrans-59.1-41.6176.9-72.4-172.9-56.9-175.23.9111.2E103 N146 L153 L154E103-R150 IonicContact OE1-NH2 3.95Å; E103-R150 PolarHBondContact OE1-NH2 3.1Å; E103-R150 IonicContact OE2-CZ 3.05Å; E103-R150 IonicContact OE2-NH2 2.81Å; E103-R150 PolarHBondContact OE2-NH2 2.95Å; N146-R150 WeakPolarHBondContact O-CB 3.37Å; N146-R150 VanDerWaalsContact O-CG 3.27Å; N146-R150 WeakPolarHBondContact O-CG 3.2Å; N146-R150 PolarHBondContact O-N 3.48Å; R150-L153 PolarHBondContact O-N 3.04Å; R150-L154 WeakPolarHBondContact O-CB 3.41Å; R150-L154 WeakPolarHBondContact O-CG 3.45Å; R150-L154 PolarHBondContact O-N 3.38Å
151S93.5Very high93.1Very high3 Ų360.8 Ų60.82%0.02130%0.298CS..Hα-helixtrans-59.8-57.3175.4-73.80000110.5R81 F147 F148 K149 L153 L154 F155R81-S151 VanDerWaalsContact NE-CB 3.3Å; R81-S151 PolarHBondContact NE-OG 3.43Å; R81-S151 VanDerWaalsContact NH2-CB 3.29Å; R81-S151 PolarHBondContact NH2-O 2.82Å; F147-S151 WeakPolarHBondContact CE2-OG 3.47Å; F147-S151 WeakPolarHBondContact O-CB 3.42Å; F147-S151 PolarHBondContact O-N 3.45Å; F147-S151 PolarHBondContact O-OG 3.39Å; F148-S151 WeakPolarHBondContact O-CB 3.49Å; F148-S151 PolarHBondContact O-N 2.84Å; K149-S151 VanDerWaalsContact C-N 3.27Å; K149-S151 PolarHBondContact O-N 3.32Å; S151-L153 PolarHBondContact O-N 2.57Å; S151-L154 PolarHBondContact O-N 2.97Å; S151-F155 CarbonylContact O-C 3.55Å; S151-F155 PolarHBondContact O-N 3.22Å
152M88.9Confident93.3Very high38 Ų3860.7 Ų60.719%0.18730%0.297CS..Hα-helixtrans-58.8-34.5-177.9-67.1-58.310500113F148 K149 V160 R601F148-M152 HydrophobicContact CD1-CG 4.28Å; F148-M152 HydrophobicContact CD2-CG 4.41Å; F148-M152 HydrophobicContact CE1-CG 3.71Å; F148-M152 HydrophobicContact CE2-CE 3.98Å; F148-M152 HydrophobicContact CE2-CG 3.85Å; F148-M152 HydrophobicContact CE2-SD 4.1Å; F148-M152 HydrophobicContact CZ-CE 4.42Å; F148-M152 HydrophobicContact CZ-CG 3.44Å; F148-M152 VanDerWaalsContact CZ-CG 3.44Å; F148-M152 HydrophobicContact CZ-SD 3.93Å; F148-M152 WeakPolarHBondContact O-CG 3.35Å; F148-M152 PolarHBondContact O-N 3.06Å; K149-M152 PolarHBondContact O-N 2.86Å; M152-V160 HydrophobicContact CE-CB 4.04Å; M152-V160 HydrophobicContact CE-CG2 3.23Å; M152-R601 PolarHBondContact SD-NH2 3.46Å
153L93.6Very high93.5Very high142 Ų14256.5 Ų56.574%0.74328%0.275SS*.Hα-helixtrans-71.6-51.7178.1-176.666.5000112.8K149 R150 S151K149-L153 WeakPolarHBondContact O-CB 3.23Å; K149-L153 PolarHBondContact O-N 3.41Å; R150-L153 PolarHBondContact O-N 3.04Å; S151-L153 PolarHBondContact O-N 2.57Å
154L94.9Very high93.6Very high115 Ų11555.3 Ų55.360%0.60227%0.268SS*.Hα-helixtrans-84-26.4-169.7-64.5176.3000113.5R150 S151R150-L154 WeakPolarHBondContact O-CB 3.41Å; R150-L154 WeakPolarHBondContact O-CG 3.45Å; R150-L154 PolarHBondContact O-N 3.38Å; S151-L154 PolarHBondContact O-N 2.97Å
155F93.7Very high93.6Very high91 Ų9155.3 Ų55.340%0.39927%0.268SS..  trans-142.977.7177.5-25.4-112.3000111R81 S151 H157 K158R81-F155 VanDerWaalsContact NH2-CB 3.35Å; R81-F155 PolarHBondContact NH2-O 3.32Å; S151-F155 CarbonylContact O-C 3.55Å; S151-F155 PolarHBondContact O-N 3.22Å; F155-H157 PolarHBondContact O-N 3.23Å; F155-K158 HydrophobicContact CB-CB 4.17Å; F155-K158 HydrophobicContact CB-CD 4.22Å; F155-K158 HydrophobicContact CB-CG 4.29Å; F155-K158 HydrophobicContact CD1-CD 4.45Å; F155-K158 PolarHBondContact O-N 3.2Å
156P89.1Confident93.7Very high86 Ų8653.8 Ų53.856%0.55826%0.261SS*.THydrogen-bonded Turntrans-65.2-23.9-174.124.2-34.7000113.9
157H90.3Very high93.5Very high171 Ų17150.1 Ų50.179%0.79224%0.241SC*.THydrogen-bonded Turntrans-88.8-12.1-178.4-57.2-59.7000114.4F155F155-H157 PolarHBondContact O-N 3.23Å
158K93Very high93Very high99 Ų9949.9 Ų49.943%0.4324%0.24SC..SBendtrans-92.7130.8-178-78.1-169.1177.5-167.10110.1F155F155-K158 HydrophobicContact CB-CB 4.17Å; F155-K158 HydrophobicContact CB-CD 4.22Å; F155-K158 HydrophobicContact CB-CG 4.29Å; F155-K158 HydrophobicContact CD1-CD 4.45Å; F155-K158 PolarHBondContact O-N 3.2Å
159P94.9Very high92.4Very high21 Ų2148.8 Ų48.814%0.13624%0.236CC..  trans-68162175.129.8-34.2000111.4Y80 R81 P599 F600Y80-P159 CarbonylContact C-O 3.59Å; Y80-P159 WeakPolarHBondContact CA-O 3.33Å; Y80-P159 HydrophobicContact CD1-CB 3.69Å; Y80-P159 HydrophobicContact CD1-CG 3.8Å; Y80-P159 HydrophobicContact CD2-CB 4.25Å; Y80-P159 HydrophobicContact CD2-CG 3.48Å; Y80-P159 VanDerWaalsContact CD2-CG 3.48Å; Y80-P159 HydrophobicContact CE1-CB 3.47Å; Y80-P159 VanDerWaalsContact CE1-CB 3.47Å; Y80-P159 HydrophobicContact CE1-CG 3.82Å; Y80-P159 HydrophobicContact CE2-CB 4.04Å; Y80-P159 HydrophobicContact CE2-CG 3.48Å; Y80-P159 VanDerWaalsContact CE2-CG 3.48Å; Y80-P159 HydrophobicContact CG-CB 4.08Å; Y80-P159 HydrophobicContact CG-CG 3.64Å; R81-P159 PolarHBondContact N-O 3.14Å; P159-P599 HydrophobicContact CB-CB 4.01Å; P159-P599 HydrophobicContact CG-CB 4.28Å; P159-F600 WeakPolarHBondContact CB-O 3.41Å
160V95.5Very high91.9Very high2 Ų244.4 Ų44.41%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-127.2132.3-175.6172.60000110.8R81 F147 F148 M152 M162 R601 I602R81-V160 HydrophobicContact CB-CG2 4.19Å; R81-V160 CarbonylContact O-C 3.39Å; R81-V160 VanDerWaalsContact O-CA 3.3Å; R81-V160 WeakPolarHBondContact O-CA 3.17Å; F147-V160 HydrophobicContact CE1-CG1 3.79Å; F147-V160 HydrophobicContact CZ-CG1 4.41Å; F148-V160 HydrophobicContact CD2-CG1 4.42Å; M152-V160 HydrophobicContact CE-CB 4.04Å; M152-V160 HydrophobicContact CE-CG2 3.23Å; V160-M162 HydrophobicContact CG1-CG 3.83Å; V160-M162 HydrophobicContact CG1-SD 4.47Å; V160-R601 WeakPolarHBondContact O-CA 3.23Å; V160-I602 PolarHBondContact O-N 3.03Å
161L96.5Very high90.7Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-108.7129167.5172.169.3000108.6F71 L75 Y80 R81 T82 G83 W101 I295 I602F71-L161 HydrophobicContact CD2-CD2 4.14Å; F71-L161 HydrophobicContact CE2-CD2 3.99Å; L75-L161 HydrophobicContact CB-CD2 4.06Å; L75-L161 HydrophobicContact CG-CD2 4.09Å; Y80-L161 HydrophobicContact CD1-CB 4.17Å; R81-L161 PolarHBondContact O-N 3.19Å; T82-L161 CarbonylContact C-O 3.44Å; T82-L161 WeakPolarHBondContact CA-O 3.39Å; T82-L161 HydrophobicContact CG2-CB 4.12Å; T82-L161 HydrophobicContact CG2-CD2 3.88Å; G83-L161 PolarHBondContact N-O 2.76Å; W101-L161 HydrophobicContact CH2-CD2 4.37Å; W101-L161 HydrophobicContact CZ3-CD2 4.19Å; L161-I295 HydrophobicContact CD1-CG2 4.34Å; L161-I602 CarbonylContact C-O 3.56Å; L161-I602 VanDerWaalsContact CA-O 3.3Å; L161-I602 WeakPolarHBondContact CA-O 3.34Å; L161-I602 HydrophobicContact CD1-CB 3.95Å; L161-I602 HydrophobicContact CD1-CG2 3.88Å
162M96.5Very high90.1Very high1 Ų141.5 Ų41.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-127.3132.8170.7-66.9-172.8-58.500110.8G83 F147 F148 V160 F222 L225 I602 V603 F604G83-M162 CarbonylContact O-C 3.49Å; G83-M162 WeakPolarHBondContact O-CA 3.31Å; F147-M162 HydrophobicContact CD1-CG 3.83Å; F147-M162 HydrophobicContact CD1-SD 3.79Å; F147-M162 HydrophobicContact CE1-CG 3.72Å; F147-M162 HydrophobicContact CE1-SD 4.24Å; F148-M162 HydrophobicContact CB-CE 4.1Å; F148-M162 HydrophobicContact CB-SD 3.81Å; F148-M162 HydrophobicContact CD2-CE 3.81Å; F148-M162 HydrophobicContact CD2-SD 4.22Å; F148-M162 HydrophobicContact CG-CE 4.2Å; F148-M162 HydrophobicContact CG-SD 4.45Å; V160-M162 HydrophobicContact CG1-CG 3.83Å; V160-M162 HydrophobicContact CG1-SD 4.47Å; M162-F222 HydrophobicContact CE-CE1 4.25Å; M162-L225 HydrophobicContact CE-CD2 3.53Å; M162-I602 PolarHBondContact N-O 2.93Å; M162-V603 HydrophobicContact CE-CG2 3.75Å; M162-F604 PolarHBondContact O-N 3.32Å
163V96.8Very high89.3Confident2 Ų242 Ų421%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-111.3117.3169.6176.60000109.7F71 G83 Y84 F85 W101 F604F71-V163 HydrophobicContact CE2-CG2 4.21Å; F71-V163 HydrophobicContact CZ-CG2 4.12Å; G83-V163 PolarHBondContact O-N 2.77Å; Y84-V163 HydrophobicContact CD2-CB 3.69Å; Y84-V163 HydrophobicContact CD2-CG1 3.71Å; Y84-V163 HydrophobicContact CD2-CG2 4.37Å; Y84-V163 HydrophobicContact CE2-CB 3.98Å; Y84-V163 HydrophobicContact CE2-CG1 3.44Å; Y84-V163 VanDerWaalsContact CE2-CG1 3.44Å; Y84-V163 HydrophobicContact CG-CB 4.45Å; F85-V163 PolarHBondContact N-O 2.8Å; W101-V163 HydrophobicContact CH2-CB 4.18Å; W101-V163 HydrophobicContact CH2-CG2 3.58Å; W101-V163 HydrophobicContact CZ3-CB 4.49Å; W101-V163 HydrophobicContact CZ3-CG2 4.08Å; V163-F604 CarbonylContact C-O 3.55Å; V163-F604 WeakPolarHBondContact CA-O 3.25Å; V163-F604 HydrophobicContact CG1-CD1 3.97Å; V163-F604 HydrophobicContact CG2-CB 4.37Å; V163-F604 HydrophobicContact CG2-CD1 4.23Å
164L95.5Very high88.8Confident2 Ų238.5 Ų38.51%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-106.396.3176.6-54.8-179.4000109.3F85 I140 S144 F166 F222 V603 F604 S605 E606F85-L164 HydrophobicContact CB-CD2 4.19Å; F85-L164 HydrophobicContact CD2-CD2 4.04Å; F85-L164 HydrophobicContact CG-CD2 4.44Å; I140-L164 HydrophobicContact CG2-CD2 4.24Å; S144-L164 WeakPolarHBondContact OG-CD2 3.32Å; L164-F166 HydrophobicContact CB-CD2 4.35Å; L164-F166 HydrophobicContact CB-CE2 3.73Å; L164-F166 HydrophobicContact CB-CZ 4.29Å; L164-F166 HydrophobicContact CD1-CE2 4.41Å; L164-F222 HydrophobicContact CD1-CD2 4.27Å; L164-F222 HydrophobicContact CD1-CE1 4.22Å; L164-F222 HydrophobicContact CD1-CE2 3.87Å; L164-F222 HydrophobicContact CD1-CZ 3.86Å; L164-V603 HydrophobicContact CD1-CG1 4.4Å; L164-F604 PolarHBondContact N-O 2.03Å; L164-S605 CarbonylContact O-C 3.55Å; L164-S605 VanDerWaalsContact O-CA 3.32Å; L164-S605 WeakPolarHBondContact O-CA 3.39Å; L164-S605 PolarHBondContact O-OG 3.21Å; L164-E606 PolarHBondContact O-N 3.49Å
165S94.6Very high88.1Confident0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-103.282.8-174.1179.60000111.2R36 Y84 F85 G86 K87 E606R36-S165 PolarHBondContact NH1-OG 3.02Å; Y84-S165 WeakPolarHBondContact OH-CB 3.47Å; F85-S165 PolarHBondContact O-N 3.03Å; G86-S165 CarbonylContact C-O 3.59Å; G86-S165 VanDerWaalsContact CA-O 3.29Å; G86-S165 WeakPolarHBondContact CA-O 3.42Å; K87-S165 PolarHBondContact N-O 2.93Å; K87-S165 VanDerWaalsContact O-CB 3.25Å; K87-S165 WeakPolarHBondContact O-CB 3.36Å; K87-S165 PolarHBondContact O-OG 2.89Å; S165-E606 CarbonylContact C-O 3.36Å; S165-E606 WeakPolarHBondContact CA-O 3.22Å
166F92.7Very high87.6Confident0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-73.7130-177.8-65.5-79.5000111T137 I140 L164 A168 T214 I217 V218 E606 V607 G608T137-F166 HydrophobicContact CG2-CD1 3.8Å; T137-F166 HydrophobicContact CG2-CE1 3.9Å; I140-F166 HydrophobicContact CB-CD1 4.26Å; I140-F166 HydrophobicContact CB-CE1 3.81Å; I140-F166 HydrophobicContact CD1-CD1 3.78Å; I140-F166 HydrophobicContact CD1-CE1 4.23Å; I140-F166 HydrophobicContact CD1-CG 4.47Å; I140-F166 HydrophobicContact CG2-CD1 4Å; I140-F166 HydrophobicContact CG2-CE1 3.45Å; I140-F166 VanDerWaalsContact CG2-CE1 3.45Å; I140-F166 HydrophobicContact CG2-CE2 4.46Å; I140-F166 HydrophobicContact CG2-CZ 3.72Å; L164-F166 HydrophobicContact CB-CD2 4.35Å; L164-F166 HydrophobicContact CB-CE2 3.73Å; L164-F166 HydrophobicContact CB-CZ 4.29Å; L164-F166 HydrophobicContact CD1-CE2 4.41Å; F166-A168 VanDerWaalsContact C-N 3.28Å; F166-A168 PolarHBondContact O-N 3.03Å; F166-T214 HydrophobicContact CB-CG2 4.29Å; F166-T214 HydrophobicContact CD1-CG2 4.28Å; F166-T214 HydrophobicContact CD2-CG2 3.54Å; F166-T214 HydrophobicContact CE2-CG2 3.84Å; F166-T214 HydrophobicContact CG-CG2 3.78Å; F166-T214 HydrophobicContact CZ-CG2 4.33Å; F166-I217 HydrophobicContact CE1-CD1 4.43Å; F166-I217 HydrophobicContact CZ-CG2 4.14Å; F166-V218 HydrophobicContact CE2-CG2 4.37Å; F166-E606 PolarHBondContact N-O 2.99Å; F166-V607 HydrophobicContact CB-CG1 4.35Å; F166-V607 WeakPolarHBondContact O-CA 3.09Å; F166-G608 PolarHBondContact O-N 3.36Å
167P89.9Confident87.4Confident0 Ų029.3 Ų29.30%016%0.156CC..  trans-70.4-22.6174.9-19.431.8000113.9K87 F113 F136 H170K87-P167 HydrophobicContact CB-CG 4.16Å; F113-P167 HydrophobicContact CE1-CB 4.42Å; F113-P167 HydrophobicContact CZ-CB 4.34Å; F136-P167 HydrophobicContact CD1-CG 3.6Å; F136-P167 HydrophobicContact CE1-CG 3.52Å; P167-H170 WeakPolarHBondContact O-CA 3.34Å; P167-H170 WeakPolarHBondContact O-CB 3.35Å; P167-H170 PolarHBondContact O-N 2.86Å
168A83.8Confident87Confident0 Ų024.9 Ų24.90%014%0.135CC..THydrogen-bonded Turntrans-61.7141.6175.100000110.5F113 F166 L210 L211 V607 G608F113-A168 HydrophobicContact CE1-CB 3.93Å; F113-A168 HydrophobicContact CZ-CB 3.98Å; F166-A168 VanDerWaalsContact C-N 3.28Å; F166-A168 PolarHBondContact O-N 3.03Å; A168-L210 HydrophobicContact CB-CB 4.19Å; A168-L210 WeakPolarHBondContact CB-O 3.37Å; A168-L211 HydrophobicContact CB-CD2 4.48Å; A168-V607 WeakPolarHBondContact O-CB 3.03Å; A168-G608 PolarHBondContact O-N 3.03Å
169P80.7Confident86.5Confident8 Ų821.7 Ų21.75%0.05212%0.121CC..THydrogen-bonded Turncis-95.125.85.137.3-32.7000114.1M1 R207 L211 G608M1-P169 HydrophobicContact CE-CG 3.86Å; P169-R207 HydrophobicContact CB-CB 3.84Å; P169-R207 HydrophobicContact CB-CG 3.94Å; P169-R207 PolarHBondContact O-NH1 2.96Å; P169-L211 HydrophobicContact CB-CD1 4.43Å; P169-L211 HydrophobicContact CB-CD2 4.08Å; P169-L211 HydrophobicContact CB-CG 3.98Å; P169-L211 HydrophobicContact CG-CD1 4.41Å; P169-L211 HydrophobicContact CG-CD2 4.09Å; P169-L211 HydrophobicContact CG-CG 4.3Å; P169-G608 WeakPolarHBondContact CD-O 3.4Å
170H79.8Confident85.7Confident43 Ų4323.8 Ų23.820%0.19914%0.136CC..SBendtrans-59.7149.6175.7-163.8-82.4000110.9F113 P167 K252F113-H170 WeakPolarHBondContact CE2-O 3.31Å; P167-H170 WeakPolarHBondContact O-CA 3.34Å; P167-H170 WeakPolarHBondContact O-CB 3.35Å; P167-H170 PolarHBondContact O-N 2.86Å; H170-K252 PolarHBondContact NE2-NZ 3.11Å
171G71.5Confident84.7Confident15 Ų1528.5 Ų28.516%0.15517%0.165CC..SBendtrans-67.9160.1173.700000112.5
172P80.1Confident83.6Confident35 Ų3534.3 Ų34.323%0.22719%0.19CC..SBendcis-68.8149.92.830.2-36.1000112.9F113 D174F113-P172 HydrophobicContact CD2-CG 4.44Å; F113-P172 WeakPolarHBondContact CD2-O 3.34Å; F113-P172 WeakPolarHBondContact CE2-O 3.45Å; P172-D174 WeakPolarHBondContact CB-OD2 3.47Å; P172-D174 WeakPolarHBondContact CG-OD2 3.26Å; P172-D174 PolarHBondContact O-N 3.02Å
173E72.4Confident82.5Confident49 Ų4935.2 Ų35.223%0.22919%0.194CC..  trans-78.458.2-176.8-71.494.2-179.400112.9P175 R207 L210 K250E173-P175 WeakPolarHBondContact O-CD 3.41Å; E173-R207 IonicContact OE1-CZ 2.82Å; E173-R207 IonicContact OE1-NE 3.61Å; E173-R207 IonicContact OE1-NH2 2.78Å; E173-R207 PolarHBondContact OE1-NH2 2.9Å; E173-L210 HydrophobicContact CB-CD1 4.45Å; E173-L210 HydrophobicContact CG-CD1 4.41Å; E173-K250 VanDerWaalsContact CD-NZ 3.3Å; E173-K250 IonicContact OE1-NZ 3.66Å; E173-K250 PolarHBondContact OE1-NZ 2.69Å; E173-K250 IonicContact OE2-NZ 3.8Å; E173-K250 PolarHBondContact OE2-NZ 2.83Å
174D82.5Confident80.9Confident68 Ų6843 Ų4336%0.36423%0.228SC..  trans-103.983.1-174.5-58.4-29.5000111.5F113 Y114 P172 L210F113-D174 HydrophobicContact CB-CB 4.45Å; F113-D174 HydrophobicContact CD2-CB 4.39Å; Y114-D174 HydrophobicContact CD2-CB 4.29Å; Y114-D174 HydrophobicContact CE2-CB 4.38Å; P172-D174 WeakPolarHBondContact CB-OD2 3.47Å; P172-D174 WeakPolarHBondContact CG-OD2 3.26Å; P172-D174 PolarHBondContact O-N 3.02Å; D174-L210 WeakPolarHBondContact O-CD2 3.28Å
175P80.3Confident79.1Confident28 Ų2849.2 Ų49.218%0.18226%0.262CS..  trans-72.2157.6-178.732.9-37.8000112.2E173 T209 L210E173-P175 WeakPolarHBondContact O-CD 3.41Å; P175-T209 WeakPolarHBondContact CB-OG1 3.46Å; P175-L210 HydrophobicContact CB-CD2 4.48Å
176A82.8Confident77.2Confident0 Ų050.8 Ų50.80%027%0.271CS..  trans-56.6136.4165.500000110.3Y131 Y135 Q178 Y179 S180 P213Y131-A176 HydrophobicContact CD2-CB 4.14Å; Y131-A176 HydrophobicContact CE2-CB 3.49Å; Y131-A176 VanDerWaalsContact CE2-CB 3.49Å; Y135-A176 HydrophobicContact CD1-CB 4Å; Y135-A176 HydrophobicContact CE1-CB 3.57Å; Y135-A176 HydrophobicContact CE2-CB 4.33Å; Y135-A176 PolarHBondContact OH-N 2.94Å; A176-Q178 VanDerWaalsContact C-N 3.26Å; A176-Q178 PolarHBondContact O-N 2.93Å; A176-Q178 VanDerWaalsContact O-N 3.09Å; A176-Y179 HydrophobicContact CB-CD2 3.95Å; A176-Y179 PolarHBondContact O-N 2.83Å; A176-S180 PolarHBondContact O-N 2.99Å; A176-P213 HydrophobicContact CB-CG 3.9Å
177P84.6Confident75.4Confident71 Ų7154.2 Ų54.246%0.46131%0.306SS..G310 helixtrans-52.3-40.6-167.5-29.735.5000114.5Y131 Y179 S180Y131-P177 HydrophobicContact CD1-CG 4.49Å; Y131-P177 HydrophobicContact CD2-CG 4.28Å; Y131-P177 HydrophobicContact CG-CG 4Å; P177-Y179 VanDerWaalsContact C-N 3.25Å; P177-Y179 PolarHBondContact O-N 2.89Å; P177-S180 WeakPolarHBondContact O-CB 3.45Å; P177-S180 PolarHBondContact O-N 2.87Å; P177-S180 PolarHBondContact O-OG 2.89Å
178Q83.4Confident73.5Confident79 Ų7956.9 Ų56.937%0.36932%0.32SS..G310 helixtrans-67.1-20.6-178.470.6-83.425.300114.3Y131 A176 F182Y131-Q178 PolarHBondContact OH-NE2 2.99Å; A176-Q178 VanDerWaalsContact C-N 3.26Å; A176-Q178 PolarHBondContact O-N 2.93Å; A176-Q178 VanDerWaalsContact O-N 3.09Å; Q178-F182 WeakPolarHBondContact O-CD1 3.26Å; Q178-F182 WeakPolarHBondContact O-CE1 3.26Å
179Y82.2Confident71.9Confident32 Ų3257.7 Ų57.713%0.12533%0.325CS..G310 helixtrans-98.4-8.8177.5-61.9-77.7000112.9A176 P177 T181 F182 T209 P213 C216A176-Y179 HydrophobicContact CB-CD2 3.95Å; A176-Y179 PolarHBondContact O-N 2.83Å; P177-Y179 VanDerWaalsContact C-N 3.25Å; P177-Y179 PolarHBondContact O-N 2.89Å; Y179-T181 PolarHBondContact O-N 2.94Å; Y179-F182 AromaticContact CD1-CD2 3.51Å; Y179-F182 HydrophobicContact CD1-CD2 3.51Å; Y179-F182 AromaticContact CD1-CE2 3.45Å; Y179-F182 HydrophobicContact CD1-CE2 3.45Å; Y179-F182 VanDerWaalsContact CD1-CE2 3.45Å; Y179-F182 HydrophobicContact CD1-CG 4.22Å; Y179-F182 HydrophobicContact CD1-CZ 4.14Å; Y179-F182 HydrophobicContact CE1-CD2 4.16Å; Y179-F182 AromaticContact CE1-CE2 3.7Å; Y179-F182 HydrophobicContact CE1-CE2 3.7Å; Y179-F182 HydrophobicContact CE1-CZ 4.41Å; Y179-F182 PolarHBondContact O-N 2.76Å; Y179-F182 VanDerWaalsContact O-N 3.08Å; Y179-T209 WeakPolarHBondContact O-CB 3.33Å; Y179-T209 WeakPolarHBondContact O-CG2 3.38Å; Y179-P213 HydrophobicContact CD2-CG 3.61Å; Y179-P213 HydrophobicContact CE2-CB 4.26Å; Y179-P213 HydrophobicContact CE2-CG 3.73Å; Y179-P213 HydrophobicContact CG-CG 4.45Å; Y179-C216 VanDerWaalsContact OH-CB 3.31Å; Y179-C216 WeakPolarHBondContact OH-CB 3.46Å; Y179-C216 PolarHBondContact OH-SG 2.95Å
180S77.8Confident70.2Confident65 Ų6561.7 Ų61.746%0.45535%0.351SS..THydrogen-bonded Turntrans-54.1-29.9-17161.40000114.5A176 P177A176-S180 PolarHBondContact O-N 2.99Å; P177-S180 WeakPolarHBondContact O-CB 3.45Å; P177-S180 PolarHBondContact O-N 2.87Å; P177-S180 PolarHBondContact O-OG 2.89Å
181T75.1Confident68.7Low101 Ų10161.9 Ų61.962%0.6235%0.35SS*.THydrogen-bonded Turntrans-106.3-5.7-177.456.50000114.3Y179 F183 F184Y179-T181 PolarHBondContact O-N 2.94Å; T181-F183 VanDerWaalsContact C-N 3.29Å; T181-F183 PolarHBondContact O-N 2.99Å; T181-F183 VanDerWaalsContact O-N 3.16Å; T181-F184 WeakPolarHBondContact O-CB 3.28Å; T181-F184 PolarHBondContact O-N 2.78Å; T181-F184 VanDerWaalsContact O-N 3.09Å
182F73.2Confident67.7Low121 Ų12162.9 Ų62.953%0.53135%0.353SS..THydrogen-bonded Turntrans-60.7-33.6-167.9-89.625.8000114.7Q178 Y179 T186Q178-F182 WeakPolarHBondContact O-CD1 3.26Å; Q178-F182 WeakPolarHBondContact O-CE1 3.26Å; Y179-F182 AromaticContact CD1-CD2 3.51Å; Y179-F182 HydrophobicContact CD1-CD2 3.51Å; Y179-F182 AromaticContact CD1-CE2 3.45Å; Y179-F182 HydrophobicContact CD1-CE2 3.45Å; Y179-F182 VanDerWaalsContact CD1-CE2 3.45Å; Y179-F182 HydrophobicContact CD1-CG 4.22Å; Y179-F182 HydrophobicContact CD1-CZ 4.14Å; Y179-F182 HydrophobicContact CE1-CD2 4.16Å; Y179-F182 AromaticContact CE1-CE2 3.7Å; Y179-F182 HydrophobicContact CE1-CE2 3.7Å; Y179-F182 HydrophobicContact CE1-CZ 4.41Å; Y179-F182 PolarHBondContact O-N 2.76Å; Y179-F182 VanDerWaalsContact O-N 3.08Å; F182-T186 WeakPolarHBondContact O-CG2 3.32Å
183F72Confident66.3Low20 Ų2068.4 Ų68.49%0.08837%0.37CS..THydrogen-bonded Turntrans-101.41.9-177.6-67.1-91.2000112.6C7 T181 N185 T186 I188 W205 C208 T209 S212C7-F183 HydrophobicContact CB-CE1 4.11Å; C7-F183 HydrophobicContact CB-CZ 4.14Å; T181-F183 VanDerWaalsContact C-N 3.29Å; T181-F183 PolarHBondContact O-N 2.99Å; T181-F183 VanDerWaalsContact O-N 3.16Å; F183-N185 PolarHBondContact O-N 2.87Å; F183-T186 WeakPolarHBondContact CA-OG1 3.5Å; F183-T186 PolarHBondContact O-N 3.2Å; F183-T186 VanDerWaalsContact O-N 3.07Å; F183-T186 PolarHBondContact O-OG1 2.84Å; F183-I188 HydrophobicContact CD1-CD1 4.32Å; F183-I188 HydrophobicContact CE1-CD1 4.2Å; F183-W205 HydrophobicContact CB-CB 4.46Å; F183-W205 HydrophobicContact CB-CE3 3.72Å; F183-W205 HydrophobicContact CB-CZ3 4.35Å; F183-W205 VanDerWaalsContact O-CD2 3.29Å; F183-W205 WeakPolarHBondContact O-CH2 3.24Å; F183-W205 WeakPolarHBondContact O-CZ3 3.32Å; F183-C208 HydrophobicContact CB-CB 4.4Å; F183-C208 HydrophobicContact CD1-CB 3.74Å; F183-C208 HydrophobicContact CD2-CB 3.73Å; F183-C208 HydrophobicContact CE1-CB 3.87Å; F183-C208 HydrophobicContact CE2-CB 3.9Å; F183-C208 HydrophobicContact CG-CB 3.65Å; F183-C208 HydrophobicContact CZ-CB 3.94Å; F183-T209 HydrophobicContact CB-CG2 4.39Å; F183-T209 HydrophobicContact CD2-CG2 3.81Å; F183-S212 WeakPolarHBondContact CE2-OG 3.22Å
184F64.5Low65.4Low166 Ų16666.3 Ų66.373%0.72836%0.36SS*.THydrogen-bonded Turntrans-57.5118.9179.7-168.9-95.2000110T181 T186T181-F184 WeakPolarHBondContact O-CB 3.28Å; T181-F184 PolarHBondContact O-N 2.78Å; T181-F184 VanDerWaalsContact O-N 3.09Å; F184-T186 VanDerWaalsContact C-N 3.28Å; F184-T186 PolarHBondContact O-N 3.16Å
185N57.9Low63.9Low133 Ų13363.9 Ų63.971%0.71135%0.349SS*.THydrogen-bonded Turntrans63.720.3-179.6-147.725.5000116.2F183 G187F183-N185 PolarHBondContact O-N 2.87Å; N185-G187 PolarHBondContact O-N 2.9Å
186T53.8Low62.3Low33 Ų3362.7 Ų62.720%0.20234%0.34CS..  trans-81.3116.417958.50000112.5F182 F183 F184 I188 W205F182-T186 WeakPolarHBondContact O-CG2 3.32Å; F183-T186 WeakPolarHBondContact CA-OG1 3.5Å; F183-T186 PolarHBondContact O-N 3.2Å; F183-T186 VanDerWaalsContact O-N 3.07Å; F183-T186 PolarHBondContact O-OG1 2.84Å; F184-T186 VanDerWaalsContact C-N 3.28Å; F184-T186 PolarHBondContact O-N 3.16Å; T186-I188 HydrophobicContact CG2-CD1 4.28Å; T186-I188 PolarHBondContact O-N 3.38Å; T186-W205 WeakPolarHBondContact O-CH2 3.36Å; T186-W205 WeakPolarHBondContact O-CZ3 3.46Å; T186-W205 WeakPolarHBondContact OG1-CZ3 3.32Å
187G54.4Low60.4Low71 Ų7163.7 Ų63.773%0.73235%0.351SS*.THydrogen-bonded Turntrans-56.3-2.6177.400000116.2N185 T189 P190N185-G187 PolarHBondContact O-N 2.9Å; G187-T189 PolarHBondContact O-N 3.14Å; G187-P190 WeakPolarHBondContact O-CD 3.32Å
188I50.5Low58.1Low57 Ų5764.5 Ų64.529%0.29236%0.357SS..THydrogen-bonded Turntrans-53-18.3178.4-60.7173.4000112.8E6 F183 T186 P190E6-I188 HydrophobicContact CB-CG2 4.38Å; F183-I188 HydrophobicContact CD1-CD1 4.32Å; F183-I188 HydrophobicContact CE1-CD1 4.2Å; T186-I188 HydrophobicContact CG2-CD1 4.28Å; T186-I188 PolarHBondContact O-N 3.38Å; I188-P190 VanDerWaalsContact C-CD 3.48Å; I188-P190 WeakPolarHBondContact O-CD 2.98Å
189T50.4Low56.2Low17 Ų1764.5 Ų64.510%0.10436%0.359CS..SBendtrans-120.375.1176.557.80000111.2G187 R191 R204 W205G187-T189 PolarHBondContact O-N 3.14Å; T189-R191 PolarHBondContact O-N 3.45Å; T189-R191 VanDerWaalsContact O-N 3.09Å; T189-R204 VanDerWaalsContact CB-NE 3.34Å; T189-R204 HydrophobicContact CG2-CG 3.95Å; T189-W205 WeakPolarHBondContact OG1-CZ3 3.25Å
190P44.4Very low54.6Low92 Ų9263.4 Ų63.460%0.59736%0.357SS*.PPolyproline II helixtrans-51.6127.3168.5-1929.5000107.3G187 I188 T192 R204G187-P190 WeakPolarHBondContact O-CD 3.32Å; I188-P190 VanDerWaalsContact C-CD 3.48Å; I188-P190 WeakPolarHBondContact O-CD 2.98Å; P190-T192 PolarHBondContact O-N 3.34Å; P190-R204 PolarHBondContact O-NH1 3.33Å
191R49Very low53.2Low46 Ų4665.1 Ų65.117%0.17436%0.357CS..PPolyproline II helixtrans-53.7128.6170.8-72.2177.8173-160.9-2.4106.3T189 R193 T504 E505T189-R191 PolarHBondContact O-N 3.45Å; T189-R191 VanDerWaalsContact O-N 3.09Å; R191-R193 PolarHBondContact O-N 3.04Å; R191-T504 VanDerWaalsContact NH1-C 3.27Å; R191-T504 VanDerWaalsContact NH1-CB 3.3Å; R191-T504 PolarHBondContact NH1-O 3.13Å; R191-E505 WeakPolarHBondContact CD-O 3.16Å; R191-E505 VanDerWaalsContact CZ-O 3.26Å; R191-E505 PolarHBondContact NH1-O 3.22Å
192T51.4Low52.2Low37 Ų3764.5 Ų64.523%0.22735%0.354CS..PPolyproline II helixtrans-58.6145.3161.456.10000106.3P190 T194 S195P190-T192 PolarHBondContact O-N 3.34Å; T192-T194 PolarHBondContact O-N 2.82Å; T192-T194 PolarHBondContact OG1-OG1 3.09Å; T192-S195 PolarHBondContact O-N 3.01Å
193R50.9Low51.4Low151 Ų15159.1 Ų59.157%0.5733%0.333SS*.THydrogen-bonded Turntrans-48.8-19.6175.5-82.9-177.3165.5-176.5-3.8112.6R191 W508 F556R191-R193 PolarHBondContact O-N 3.04Å; R193-W508 HydrophobicContact CB-CZ3 4.45Å; R193-F556 HydrophobicContact CB-CE2 4.31Å; R193-F556 HydrophobicContact CB-CZ 4.07Å
194T52.6Low51Low4 Ų460.4 Ų60.43%0.02534%0.337CS..THydrogen-bonded Turntrans-93.9-2.8-176.461.10000115.5T192 N196 Q245 F246 W502 W508 F556T192-T194 PolarHBondContact O-N 2.82Å; T192-T194 PolarHBondContact OG1-OG1 3.09Å; T194-N196 PolarHBondContact O-N 3.07Å; T194-Q245 CarbonylContact O-C 3.57Å; T194-Q245 WeakPolarHBondContact O-CA 3.45Å; T194-F246 VanDerWaalsContact CB-CE1 3.47Å; T194-F246 HydrophobicContact CG2-CD1 4.05Å; T194-F246 HydrophobicContact CG2-CE1 3.18Å; T194-F246 HydrophobicContact CG2-CE2 4.39Å; T194-F246 HydrophobicContact CG2-CZ 3.37Å; T194-F246 PolarHBondContact O-N 2.89Å; T194-W502 VanDerWaalsContact O-CH2 3.28Å; T194-W502 WeakPolarHBondContact O-CH2 3.27Å; T194-W508 HydrophobicContact CG2-CZ3 4.17Å; T194-F556 HydrophobicContact CG2-CB 3.72Å; T194-F556 HydrophobicContact CG2-CD1 3.25Å; T194-F556 HydrophobicContact CG2-CD2 4.2Å; T194-F556 HydrophobicContact CG2-CE1 3.87Å; T194-F556 HydrophobicContact CG2-CG 3.44Å; T194-F556 VanDerWaalsContact CG2-CG 3.44Å
195S50.6Low51.1Low18 Ų1854.3 Ų54.313%0.12631%0.309CS..BIsolated β-bridgetrans-87.3107.4-175.5-176.30000113T192 W502T192-S195 PolarHBondContact O-N 3.01Å; S195-W502 WeakPolarHBondContact O-CZ3 3.36Å
196N47.2Very low51.5Low2 Ų249.8 Ų49.81%0.01129%0.288CS..  trans-77.3131175.7-92.2-54.3000111.5T194 C198 G244 G247 H501 W502T194-N196 PolarHBondContact O-N 3.07Å; N196-C198 PolarHBondContact O-N 3.19Å; N196-G244 PolarHBondContact N-O 3.16Å; N196-G244 VanDerWaalsContact N-O 3.08Å; N196-G247 PolarHBondContact ND2-N 3.15Å; N196-H501 PolarHBondContact ND2-CD2 3.15Å; N196-H501 VanDerWaalsContact ND2-CD2 3.34Å; N196-W502 HydrophobicContact CB-CE3 4.34Å; N196-W502 HydrophobicContact CB-CH2 4.49Å; N196-W502 HydrophobicContact CB-CZ3 4.22Å; N196-W502 VanDerWaalsContact CG-CE3 3.5Å; N196-W502 WeakPolarHBondContact ND2-CH2 3.35Å; N196-W502 WeakPolarHBondContact ND2-CZ2 3.41Å; N196-W502 WeakPolarHBondContact OD1-CA 3.18Å; N196-W502 WeakPolarHBondContact OD1-CZ3 3.42Å
197G42.2Very low52.4Low21 Ų2148.9 Ų48.922%0.21628%0.281CS..THydrogen-bonded Turntrans-63.66.2-165.500000118.7L199G197-L199 PolarHBondContact O-N 3.2Å
198C37.2Very low53.3Low88 Ų8845.8 Ų45.860%0.59525%0.248SC*.THydrogen-bonded Turntrans-74-24.9-173.3-65.40000114.1N196N196-C198 PolarHBondContact O-N 3.19Å
199L43.2Very low54.4Low80 Ų8043.2 Ų43.242%0.41924%0.235SC..THydrogen-bonded Turntrans-142.8-6179.5-76.2165.3000114.7G197 A203G197-L199 PolarHBondContact O-N 3.2Å; L199-A203 VanDerWaalsContact O-CB 3.25Å; L199-A203 WeakPolarHBondContact O-CB 3.46Å; L199-A203 PolarHBondContact O-N 2.04Å
200G49.1Very low55.5Low8 Ų842.4 Ų42.48%0.08223%0.23CC..Hα-helixtrans-75.8-31.7-158.600000117.3R204G200-R204 VanDerWaalsContact O-CB 3.25Å; G200-R204 WeakPolarHBondContact O-CB 3.49Å; G200-R204 PolarHBondContact O-N 3.26Å
201K47.2Very low57Low101 Ų10138.2 Ų38.244%0.43920%0.203SC..Hα-helixtrans-75.4-60.7178.9-80.6-173.8177.7-175.70111A203 R204 W205K201-A203 PolarHBondContact O-N 3.27Å; K201-R204 PolarHBondContact O-N 3.24Å; K201-W205 PolarHBondContact O-N 2.96Å; K201-W205 VanDerWaalsContact O-N 3.11Å; K201-W205 PolarHBondContact O-NE1 3.5Å
202P54.5Low58.4Low88 Ų8836.5 Ų36.557%0.57120%0.198SC*.Hα-helixtrans-56.1-46.6-178.2-22.933.5000112.9R204 W205 S206P202-R204 PolarHBondContact O-N 3.43Å; P202-W205 PolarHBondContact O-N 2.83Å; P202-S206 PolarHBondContact O-N 3.03Å; P202-S206 PolarHBondContact O-OG 3.19Å
203A57.3Low59.7Low9 Ų934.9 Ų34.97%0.07419%0.187CC..Hα-helixtrans-67.6-34.1-175.500000113.3L199 K201 R207 L243L199-A203 VanDerWaalsContact O-CB 3.25Å; L199-A203 WeakPolarHBondContact O-CB 3.46Å; L199-A203 PolarHBondContact O-N 2.04Å; K201-A203 PolarHBondContact O-N 3.27Å; A203-R207 WeakPolarHBondContact O-CB 3.25Å; A203-R207 VanDerWaalsContact O-CG 3.24Å; A203-R207 WeakPolarHBondContact O-CG 3.46Å; A203-R207 PolarHBondContact O-N 3.4Å; A203-L243 HydrophobicContact CB-CD2 4.21Å
204R63.3Low61.1Low47 Ų4727.7 Ų27.718%0.17716%0.16CC..Hα-helixtrans-74.5-39.2177.8-163.5173.1179.8-169.3-3111.2L2 T189 P190 G200 K201 P202 R207 C208 L243L2-R204 PolarHBondContact O-NH2 2.85Å; T189-R204 VanDerWaalsContact CB-NE 3.34Å; T189-R204 HydrophobicContact CG2-CG 3.95Å; P190-R204 PolarHBondContact O-NH1 3.33Å; G200-R204 VanDerWaalsContact O-CB 3.25Å; G200-R204 WeakPolarHBondContact O-CB 3.49Å; G200-R204 PolarHBondContact O-N 3.26Å; K201-R204 PolarHBondContact O-N 3.24Å; P202-R204 PolarHBondContact O-N 3.43Å; R204-R207 PolarHBondContact O-N 2.72Å; R204-C208 PolarHBondContact O-N 3.49Å; R204-L243 HydrophobicContact CB-CD1 4.4Å; R204-L243 HydrophobicContact CG-CD1 4.47Å
205W65.5Low62.6Low37 Ų3727.7 Ų27.714%0.1416%0.161CC..Hα-helixtrans-57.4-54.9171.4-54.4136.2000111.1F183 T186 T189 K201 P202 R207 C208 T209F183-W205 HydrophobicContact CB-CB 4.46Å; F183-W205 HydrophobicContact CB-CE3 3.72Å; F183-W205 HydrophobicContact CB-CZ3 4.35Å; F183-W205 VanDerWaalsContact O-CD2 3.29Å; F183-W205 WeakPolarHBondContact O-CH2 3.24Å; F183-W205 WeakPolarHBondContact O-CZ3 3.32Å; T186-W205 WeakPolarHBondContact O-CH2 3.36Å; T186-W205 WeakPolarHBondContact O-CZ3 3.46Å; T186-W205 WeakPolarHBondContact OG1-CZ3 3.32Å; T189-W205 WeakPolarHBondContact OG1-CZ3 3.25Å; K201-W205 PolarHBondContact O-N 2.96Å; K201-W205 VanDerWaalsContact O-N 3.11Å; K201-W205 PolarHBondContact O-NE1 3.5Å; P202-W205 PolarHBondContact O-N 2.83Å; W205-R207 PolarHBondContact O-N 3.15Å; W205-R207 VanDerWaalsContact O-N 3.13Å; W205-C208 PolarHBondContact O-N 2.72Å; W205-T209 WeakPolarHBondContact O-CG2 3.4Å; W205-T209 PolarHBondContact O-N 2.04Å; W205-T209 PolarHBondContact O-OG1 3.38Å
206S67.4Low64.1Low39 Ų3928.1 Ų28.127%0.27316%0.163SC..Hα-helixtrans-61.1-26.9-177.2-54.90000112.8P202 T209 L210P202-S206 PolarHBondContact O-N 3.03Å; P202-S206 PolarHBondContact O-OG 3.19Å; S206-T209 VanDerWaalsContact C-OG1 3.27Å; S206-T209 VanDerWaalsContact CA-OG1 3.27Å; S206-T209 WeakPolarHBondContact CA-OG1 3.34Å; S206-T209 PolarHBondContact O-OG1 2.78Å; S206-L210 WeakPolarHBondContact O-CB 3.43Å; S206-L210 VanDerWaalsContact O-CG 3.27Å; S206-L210 WeakPolarHBondContact O-CG 3.39Å; S206-L210 PolarHBondContact O-N 3.1Å
207R71.8Confident65.7Low13 Ų1328.5 Ų28.55%0.04917%0.165CC..Hα-helixtrans-79.2-36.6175.3-74.3178.3-172.1-116.22.5112.9P169 E173 A203 R204 W205 T209 L210 L211 Y241 L243P169-R207 HydrophobicContact CB-CB 3.84Å; P169-R207 HydrophobicContact CB-CG 3.94Å; P169-R207 PolarHBondContact O-NH1 2.96Å; E173-R207 IonicContact OE1-CZ 2.82Å; E173-R207 IonicContact OE1-NE 3.61Å; E173-R207 IonicContact OE1-NH2 2.78Å; E173-R207 PolarHBondContact OE1-NH2 2.9Å; A203-R207 WeakPolarHBondContact O-CB 3.25Å; A203-R207 VanDerWaalsContact O-CG 3.24Å; A203-R207 WeakPolarHBondContact O-CG 3.46Å; A203-R207 PolarHBondContact O-N 3.4Å; R204-R207 PolarHBondContact O-N 2.72Å; W205-R207 PolarHBondContact O-N 3.15Å; W205-R207 VanDerWaalsContact O-N 3.13Å; R207-T209 VanDerWaalsContact C-N 3.34Å; R207-L210 WeakPolarHBondContact O-CB 3.17Å; R207-L210 PolarHBondContact O-N 3.29Å; R207-L211 WeakPolarHBondContact O-CG 3.27Å; R207-L211 PolarHBondContact O-N 3.28Å; R207-Y241 VanDerWaalsContact NH1-CD1 3.33Å; R207-Y241 VanDerWaalsContact NH2-CZ 3.3Å; R207-Y241 PolarHBondContact NH2-OH 3.36Å; R207-L243 VanDerWaalsContact NE-CD2 3.35Å
208C74.1Confident67.5Low7 Ų727.6 Ų27.65%0.04716%0.155CC..Hα-helixtrans-67.5-36.6171.8-72.40000112C7 F183 R204 W205 L211 S212C7-C208 HydrophobicContact CB-CB 3.57Å; C7-C208 WeakPolarHBondContact CB-SG 3.28Å; C7-C208 WeakPolarHBondContact SG-CB 3.45Å; C7-C208 CovalentContact SG-SG 2.04Å; C7-C208 PolarHBondContact SG-SG 3.44Å; F183-C208 HydrophobicContact CB-CB 4.4Å; F183-C208 HydrophobicContact CD1-CB 3.74Å; F183-C208 HydrophobicContact CD2-CB 3.73Å; F183-C208 HydrophobicContact CE1-CB 3.87Å; F183-C208 HydrophobicContact CE2-CB 3.9Å; F183-C208 HydrophobicContact CG-CB 3.65Å; F183-C208 HydrophobicContact CZ-CB 3.94Å; R204-C208 PolarHBondContact O-N 3.49Å; W205-C208 PolarHBondContact O-N 2.72Å; C208-L211 PolarHBondContact O-N 3.21Å; C208-S212 PolarHBondContact O-N 3.25Å; C208-S212 VanDerWaalsContact O-N 3.1Å; C208-S212 PolarHBondContact O-OG 3.27Å
209T73.3Confident69.5Low3 Ų324 Ų242%0.01813%0.133CC..Hα-helixtrans-64.4-39.8171.761.80000111.2P175 Y179 F183 W205 S206 R207 L211 S212 P213P175-T209 WeakPolarHBondContact CB-OG1 3.46Å; Y179-T209 WeakPolarHBondContact O-CB 3.33Å; Y179-T209 WeakPolarHBondContact O-CG2 3.38Å; F183-T209 HydrophobicContact CB-CG2 4.39Å; F183-T209 HydrophobicContact CD2-CG2 3.81Å; W205-T209 WeakPolarHBondContact O-CG2 3.4Å; W205-T209 PolarHBondContact O-N 2.04Å; W205-T209 PolarHBondContact O-OG1 3.38Å; S206-T209 VanDerWaalsContact C-OG1 3.27Å; S206-T209 VanDerWaalsContact CA-OG1 3.27Å; S206-T209 WeakPolarHBondContact CA-OG1 3.34Å; S206-T209 PolarHBondContact O-OG1 2.78Å; R207-T209 VanDerWaalsContact C-N 3.34Å; T209-L211 PolarHBondContact O-N 3.05Å; T209-S212 WeakPolarHBondContact O-CB 3.17Å; T209-S212 PolarHBondContact O-N 2.81Å; T209-P213 WeakPolarHBondContact O-CD 3.49Å
210L74.4Confident71.4Confident0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-63.4-34.9172.4-82.3175.6000114.2F113 A168 E173 D174 P175 S206 R207 S212 P213F113-L210 HydrophobicContact CD1-CD2 4.36Å; F113-L210 HydrophobicContact CD2-CD2 4.09Å; F113-L210 HydrophobicContact CE1-CD2 4Å; F113-L210 HydrophobicContact CE2-CD1 4.25Å; F113-L210 HydrophobicContact CE2-CD2 3.71Å; F113-L210 HydrophobicContact CG-CD2 4.42Å; F113-L210 HydrophobicContact CZ-CD1 4.34Å; F113-L210 HydrophobicContact CZ-CD2 3.67Å; A168-L210 HydrophobicContact CB-CB 4.19Å; A168-L210 WeakPolarHBondContact CB-O 3.37Å; E173-L210 HydrophobicContact CB-CD1 4.45Å; E173-L210 HydrophobicContact CG-CD1 4.41Å; D174-L210 WeakPolarHBondContact O-CD2 3.28Å; P175-L210 HydrophobicContact CB-CD2 4.48Å; S206-L210 WeakPolarHBondContact O-CB 3.43Å; S206-L210 VanDerWaalsContact O-CG 3.27Å; S206-L210 WeakPolarHBondContact O-CG 3.39Å; S206-L210 PolarHBondContact O-N 3.1Å; R207-L210 WeakPolarHBondContact O-CB 3.17Å; R207-L210 PolarHBondContact O-N 3.29Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-P213 WeakPolarHBondContact O-CD 3.31Å
211L76Confident73Confident4 Ų427.4 Ų27.42%0.02116%0.156CC..Hα-helixtrans-76.8-18.4177.4-73.4175.7000113.3M8 A168 P169 R207 C208 T209 T214 S215M8-L211 HydrophobicContact CG-CB 3.84Å; M8-L211 HydrophobicContact CG-CD1 4.25Å; M8-L211 HydrophobicContact CG-CG 4.45Å; M8-L211 HydrophobicContact SD-CB 4.06Å; M8-L211 HydrophobicContact SD-CD1 4.12Å; M8-L211 HydrophobicContact SD-CD2 3.76Å; M8-L211 HydrophobicContact SD-CG 4.18Å; A168-L211 HydrophobicContact CB-CD2 4.48Å; P169-L211 HydrophobicContact CB-CD1 4.43Å; P169-L211 HydrophobicContact CB-CD2 4.08Å; P169-L211 HydrophobicContact CB-CG 3.98Å; P169-L211 HydrophobicContact CG-CD1 4.41Å; P169-L211 HydrophobicContact CG-CD2 4.09Å; P169-L211 HydrophobicContact CG-CG 4.3Å; R207-L211 WeakPolarHBondContact O-CG 3.27Å; R207-L211 PolarHBondContact O-N 3.28Å; C208-L211 PolarHBondContact O-N 3.21Å; T209-L211 PolarHBondContact O-N 3.05Å; L211-T214 WeakPolarHBondContact O-CB 3.43Å; L211-T214 PolarHBondContact O-N 3.5Å; L211-S215 PolarHBondContact O-N 3.41Å
212S77.8Confident74.8Confident10 Ų1022.8 Ų22.87%0.0714%0.135CC..Hα-helixtrans-66-42.9-173.5-64.30000113.9F183 C208 T209 L210 T214 S215 C216F183-S212 WeakPolarHBondContact CE2-OG 3.22Å; C208-S212 PolarHBondContact O-N 3.25Å; C208-S212 VanDerWaalsContact O-N 3.1Å; C208-S212 PolarHBondContact O-OG 3.27Å; T209-S212 WeakPolarHBondContact O-CB 3.17Å; T209-S212 PolarHBondContact O-N 2.81Å; L210-S212 VanDerWaalsContact C-N 3.31Å; S212-T214 PolarHBondContact O-N 2.68Å; S212-S215 PolarHBondContact O-N 3.07Å; S212-C216 WeakPolarHBondContact O-CB 3.42Å; S212-C216 PolarHBondContact O-N 2.75Å
213P78.3Confident76.1Confident2 Ų219.5 Ų19.51%0.01312%0.116CC..Hα-helixtrans-54.3-51.1169-26.833.8000112Y135 T137 A176 Y179 T209 L210 S215 C216 I217Y135-P213 HydrophobicContact CE1-CB 4.01Å; Y135-P213 HydrophobicContact CE1-CG 3.88Å; T137-P213 HydrophobicContact CG2-CB 3.69Å; A176-P213 HydrophobicContact CB-CG 3.9Å; Y179-P213 HydrophobicContact CD2-CG 3.61Å; Y179-P213 HydrophobicContact CE2-CB 4.26Å; Y179-P213 HydrophobicContact CE2-CG 3.73Å; Y179-P213 HydrophobicContact CG-CG 4.45Å; T209-P213 WeakPolarHBondContact O-CD 3.49Å; L210-P213 WeakPolarHBondContact O-CD 3.31Å; P213-S215 VanDerWaalsContact C-N 3.29Å; P213-S215 PolarHBondContact O-N 2.97Å; P213-C216 WeakPolarHBondContact O-CB 3.39Å; P213-C216 PolarHBondContact O-N 3.02Å; P213-C216 VanDerWaalsContact O-N 3.1Å; P213-I217 WeakPolarHBondContact O-CB 3.34Å; P213-I217 WeakPolarHBondContact O-CD1 3.48Å; P213-I217 WeakPolarHBondContact O-CG1 3.34Å; P213-I217 PolarHBondContact O-N 3.1Å
214T81.1Confident77.2Confident0 Ų023.2 Ų23.20%015%0.147CC..Hα-helixtrans-57.7-42.8177.8-55.60000111.4M8 F166 L211 S212 C216 I217 V218 V607M8-T214 HydrophobicContact CE-CG2 3.86Å; F166-T214 HydrophobicContact CB-CG2 4.29Å; F166-T214 HydrophobicContact CD1-CG2 4.28Å; F166-T214 HydrophobicContact CD2-CG2 3.54Å; F166-T214 HydrophobicContact CE2-CG2 3.84Å; F166-T214 HydrophobicContact CG-CG2 3.78Å; F166-T214 HydrophobicContact CZ-CG2 4.33Å; L211-T214 WeakPolarHBondContact O-CB 3.43Å; L211-T214 PolarHBondContact O-N 3.5Å; S212-T214 PolarHBondContact O-N 2.68Å; T214-C216 PolarHBondContact O-N 3.06Å; T214-I217 PolarHBondContact O-N 3.31Å; T214-V218 HydrophobicContact CG2-CG2 4.36Å; T214-V218 WeakPolarHBondContact O-CB 3.42Å; T214-V218 VanDerWaalsContact O-CG2 3.31Å; T214-V218 WeakPolarHBondContact O-CG2 3.42Å; T214-V218 PolarHBondContact O-N 3.28Å; T214-V607 HydrophobicContact CG2-CG1 4.2Å
215S83.3Confident78.2Confident5 Ų521.9 Ų21.94%0.03514%0.143CC..Hα-helixtrans-63.9-41.1176.8-168.60000112.9M8 K10 T11 L211 S212 P213 G219M8-S215 WeakPolarHBondContact CA-OG 3.42Å; M8-S215 PolarHBondContact O-OG 3.44Å; K10-S215 PolarHBondContact N-OG 3.01Å; T11-S215 PolarHBondContact N-OG 2.91Å; T11-S215 WeakPolarHBondContact OG1-CA 3.48Å; T11-S215 PolarHBondContact OG1-OG 3.27Å; L211-S215 PolarHBondContact O-N 3.41Å; S212-S215 PolarHBondContact O-N 3.07Å; P213-S215 VanDerWaalsContact C-N 3.29Å; P213-S215 PolarHBondContact O-N 2.97Å; S215-G219 WeakPolarHBondContact O-CA 3.4Å; S215-G219 PolarHBondContact O-N 2.98Å
216C81.3Confident79Confident26 Ų2620.2 Ų20.218%0.17614%0.137CC..Hα-helixtrans-66-46.4177.7-163.80000111.4K10 Y179 S212 P213 T214 N220K10-C216 PolarHBondContact NZ-SG 2.67Å; Y179-C216 VanDerWaalsContact OH-CB 3.31Å; Y179-C216 WeakPolarHBondContact OH-CB 3.46Å; Y179-C216 PolarHBondContact OH-SG 2.95Å; S212-C216 WeakPolarHBondContact O-CB 3.42Å; S212-C216 PolarHBondContact O-N 2.75Å; P213-C216 WeakPolarHBondContact O-CB 3.39Å; P213-C216 PolarHBondContact O-N 3.02Å; P213-C216 VanDerWaalsContact O-N 3.1Å; T214-C216 PolarHBondContact O-N 3.06Å; C216-N220 WeakPolarHBondContact O-CA 3.04Å; C216-N220 WeakPolarHBondContact O-CB 3.35Å; C216-N220 PolarHBondContact O-N 3.29Å; C216-N220 PolarHBondContact SG-ND2 2.92Å
217I82.3Confident79.6Confident11 Ų1121.3 Ų21.36%0.05614%0.137CC..Iπ-helixtrans-59.7-53.2178.2-74.3156.2000110.7T137 A141 F166 P213 T214 S221 F222T137-I217 HydrophobicContact CG2-CD1 3.62Å; T137-I217 WeakPolarHBondContact O-CD1 3.39Å; A141-I217 HydrophobicContact CB-CB 4.19Å; A141-I217 HydrophobicContact CB-CD1 3.65Å; A141-I217 HydrophobicContact CB-CG1 3.66Å; A141-I217 HydrophobicContact CB-CG2 3.43Å; A141-I217 VanDerWaalsContact CB-CG2 3.43Å; F166-I217 HydrophobicContact CE1-CD1 4.43Å; F166-I217 HydrophobicContact CZ-CG2 4.14Å; P213-I217 WeakPolarHBondContact O-CB 3.34Å; P213-I217 WeakPolarHBondContact O-CD1 3.48Å; P213-I217 WeakPolarHBondContact O-CG1 3.34Å; P213-I217 PolarHBondContact O-N 3.1Å; T214-I217 PolarHBondContact O-N 3.31Å; I217-S221 WeakPolarHBondContact O-CA 3.46Å; I217-S221 WeakPolarHBondContact O-CB 3.34Å; I217-S221 PolarHBondContact O-N 3.28Å; I217-F222 HydrophobicContact CG2-CD2 3.67Å; I217-F222 HydrophobicContact CG2-CE2 3.66Å; I217-F222 PolarHBondContact O-N 2.87Å; I217-F222 VanDerWaalsContact O-N 3.08Å
218V80.3Confident80.2Confident1 Ų122 Ų221%0.00615%0.145CC..Iπ-helixtrans-64.8-49.2-178.6172.50000109.9T11 I14 F166 T214 N220 L226 F233T11-V218 HydrophobicContact CG2-CB 4.41Å; T11-V218 HydrophobicContact CG2-CG1 3.69Å; I14-V218 HydrophobicContact CD1-CG1 4.05Å; I14-V218 WeakPolarHBondContact CD1-O 3.48Å; F166-V218 HydrophobicContact CE2-CG2 4.37Å; T214-V218 HydrophobicContact CG2-CG2 4.36Å; T214-V218 WeakPolarHBondContact O-CB 3.42Å; T214-V218 VanDerWaalsContact O-CG2 3.31Å; T214-V218 WeakPolarHBondContact O-CG2 3.42Å; T214-V218 PolarHBondContact O-N 3.28Å; V218-N220 PolarHBondContact O-N 3.42Å; V218-L226 HydrophobicContact CG1-CD1 3.97Å; V218-F233 HydrophobicContact CG1-CE1 4.24Å; V218-F233 HydrophobicContact CG1-CZ 3.84Å
219G78.9Confident80.5Confident12 Ų1228 Ų2812%0.12418%0.177CC..Iπ-helixtrans-72.8-19.6-175.200000116.4S215 A223S215-G219 WeakPolarHBondContact O-CA 3.4Å; S215-G219 PolarHBondContact O-N 2.98Å; G219-A223 WeakPolarHBondContact O-CB 3.07Å
220N83Confident81.1Confident87 Ų8730.5 Ų30.547%0.46519%0.19SC..Iπ-helixtrans-116.8-69.3178.8-65.4-7.7000110.8K10 C216 V218 F222 A223K10-N220 PolarHBondContact NZ-ND2 3.08Å; C216-N220 WeakPolarHBondContact O-CA 3.04Å; C216-N220 WeakPolarHBondContact O-CB 3.35Å; C216-N220 PolarHBondContact O-N 3.29Å; C216-N220 PolarHBondContact SG-ND2 2.92Å; V218-N220 PolarHBondContact O-N 3.42Å; N220-F222 VanDerWaalsContact C-N 3.26Å; N220-F222 PolarHBondContact O-N 2.8Å; N220-A223 WeakPolarHBondContact O-CB 3.38Å; N220-A223 PolarHBondContact O-N 2.74Å; N220-A223 VanDerWaalsContact O-N 3.11Å
221S82.8Confident81.8Confident73 Ų7330.5 Ų30.551%0.5119%0.19SC..Iπ-helixtrans-63.3-32.1-169.5-47.50000113.2I217I217-S221 WeakPolarHBondContact O-CA 3.46Å; I217-S221 WeakPolarHBondContact O-CB 3.34Å; I217-S221 PolarHBondContact O-N 3.28Å
222F83.8Confident82.6Confident4 Ų430.9 Ų30.92%0.01819%0.191CC..THydrogen-bonded Turntrans-97-9.9176.9-77.5-76.6000114.4S144 I145 M162 L164 I217 N220 A224 L225 L226S144-F222 VanDerWaalsContact OG-CZ 3.22Å; S144-F222 WeakPolarHBondContact OG-CZ 3Å; I145-F222 HydrophobicContact CD1-CE2 4.26Å; I145-F222 HydrophobicContact CD1-CZ 4.27Å; I145-F222 HydrophobicContact CG1-CE1 3.93Å; I145-F222 HydrophobicContact CG1-CE2 4.02Å; I145-F222 HydrophobicContact CG1-CZ 3.53Å; M162-F222 HydrophobicContact CE-CE1 4.25Å; L164-F222 HydrophobicContact CD1-CD2 4.27Å; L164-F222 HydrophobicContact CD1-CE1 4.22Å; L164-F222 HydrophobicContact CD1-CE2 3.87Å; L164-F222 HydrophobicContact CD1-CZ 3.86Å; I217-F222 HydrophobicContact CG2-CD2 3.67Å; I217-F222 HydrophobicContact CG2-CE2 3.66Å; I217-F222 PolarHBondContact O-N 2.87Å; I217-F222 VanDerWaalsContact O-N 3.08Å; N220-F222 VanDerWaalsContact C-N 3.26Å; N220-F222 PolarHBondContact O-N 2.8Å; F222-A224 PolarHBondContact O-N 2.73Å; F222-L225 HydrophobicContact CD1-CD2 4.11Å; F222-L225 HydrophobicContact CE1-CD2 4.42Å; F222-L225 WeakPolarHBondContact O-CB 3.47Å; F222-L225 PolarHBondContact O-N 3.25Å; F222-L226 HydrophobicContact CB-CD1 3.56Å; F222-L226 HydrophobicContact CB-CG 3.85Å; F222-L226 VanDerWaalsContact O-CG 3.3Å; F222-L226 WeakPolarHBondContact O-CG 3.41Å; F222-L226 PolarHBondContact O-N 3.15Å
223A82Confident83.3Confident19 Ų1930.5 Ų30.516%0.15719%0.188CC..Hα-helixtrans-54.2-47.6-168.200000113.6I14 G219 N220 L225 L226 K227I14-A223 HydrophobicContact CD1-CB 4.27Å; G219-A223 WeakPolarHBondContact O-CB 3.07Å; N220-A223 WeakPolarHBondContact O-CB 3.38Å; N220-A223 PolarHBondContact O-N 2.74Å; N220-A223 VanDerWaalsContact O-N 3.11Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 PolarHBondContact O-N 2.96Å; A223-L226 PolarHBondContact O-N 2.85Å; A223-K227 VanDerWaalsContact O-CB 3.31Å; A223-K227 WeakPolarHBondContact O-CB 3.48Å; A223-K227 VanDerWaalsContact O-CG 3.3Å; A223-K227 WeakPolarHBondContact O-CG 3.05Å; A223-K227 PolarHBondContact O-N 2.64Å
224A80.9Confident84Confident88 Ų8830.5 Ų30.573%0.72719%0.188SC*.Hα-helixtrans-63.1-37.4179.400000112.7F222 A228F222-A224 PolarHBondContact O-N 2.73Å; A224-A228 PolarHBondContact O-N 2.85Å
225L84.4Confident84.6Confident19 Ų1930.5 Ų30.510%0.09919%0.188CC..Hα-helixtrans-68.6-48.9175.9174.956.2000111.1F148 M162 F222 A223 K227 A228 T231 V603F148-L225 HydrophobicContact CD1-CD1 4.46Å; F148-L225 HydrophobicContact CD1-CD2 3.96Å; F148-L225 HydrophobicContact CD2-CD1 4.24Å; F148-L225 HydrophobicContact CD2-CD2 3.67Å; F148-L225 HydrophobicContact CE1-CD1 3.71Å; F148-L225 HydrophobicContact CE1-CD2 4.04Å; F148-L225 HydrophobicContact CE1-CG 4.38Å; F148-L225 HydrophobicContact CE2-CD1 3.46Å; F148-L225 VanDerWaalsContact CE2-CD1 3.46Å; F148-L225 HydrophobicContact CE2-CD2 3.77Å; F148-L225 HydrophobicContact CE2-CG 4.28Å; F148-L225 HydrophobicContact CG-CD2 3.79Å; F148-L225 HydrophobicContact CZ-CD1 3.15Å; F148-L225 HydrophobicContact CZ-CD2 3.97Å; F148-L225 HydrophobicContact CZ-CG 4.16Å; M162-L225 HydrophobicContact CE-CD2 3.53Å; F222-L225 HydrophobicContact CD1-CD2 4.11Å; F222-L225 HydrophobicContact CE1-CD2 4.42Å; F222-L225 WeakPolarHBondContact O-CB 3.47Å; F222-L225 PolarHBondContact O-N 3.25Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 PolarHBondContact O-N 2.96Å; L225-K227 VanDerWaalsContact C-N 3.26Å; L225-K227 PolarHBondContact O-N 2.84Å; L225-A228 VanDerWaalsContact O-CB 3.27Å; L225-A228 WeakPolarHBondContact O-CB 3.1Å; L225-A228 PolarHBondContact O-N 3.47Å; L225-A228 VanDerWaalsContact O-N 3.11Å; L225-T231 WeakPolarHBondContact O-CB 3.35Å; L225-T231 PolarHBondContact O-OG1 2.88Å; L225-V603 HydrophobicContact CD2-CG2 4.4Å
226L82.6Confident85.1Confident2 Ų230.3 Ų30.31%0.0119%0.187CC..Hα-helixtrans-69.8-25.2-175.2-60.2176.8000112.6I14 V218 F222 A223 F233 R267 V603I14-L226 HydrophobicContact CD1-CD1 3.82Å; I14-L226 HydrophobicContact CG2-CB 4.1Å; V218-L226 HydrophobicContact CG1-CD1 3.97Å; F222-L226 HydrophobicContact CB-CD1 3.56Å; F222-L226 HydrophobicContact CB-CG 3.85Å; F222-L226 VanDerWaalsContact O-CG 3.3Å; F222-L226 WeakPolarHBondContact O-CG 3.41Å; F222-L226 PolarHBondContact O-N 3.15Å; A223-L226 PolarHBondContact O-N 2.85Å; L226-F233 HydrophobicContact CB-CD1 4.19Å; L226-F233 HydrophobicContact CB-CG 4.35Å; L226-F233 HydrophobicContact CD1-CD1 3.93Å; L226-F233 HydrophobicContact CD1-CD2 4.24Å; L226-F233 HydrophobicContact CD1-CE1 3.7Å; L226-F233 HydrophobicContact CD1-CE2 4.07Å; L226-F233 HydrophobicContact CD1-CG 4.21Å; L226-F233 HydrophobicContact CD1-CZ 3.8Å; L226-F233 HydrophobicContact CD2-CB 3.97Å; L226-F233 HydrophobicContact CD2-CD1 4.2Å; L226-F233 HydrophobicContact CD2-CD2 3.59Å; L226-F233 HydrophobicContact CD2-CE2 4.12Å; L226-F233 HydrophobicContact CD2-CG 3.66Å; L226-F233 HydrophobicContact CG-CD1 4.31Å; L226-F233 HydrophobicContact CG-CD2 4.44Å; L226-F233 HydrophobicContact CG-CG 4.26Å; L226-R267 PolarHBondContact O-NE 3.09Å; L226-V603 HydrophobicContact CD2-CB 3.79Å; L226-V603 HydrophobicContact CD2-CG1 3.83Å; L226-V603 HydrophobicContact CD2-CG2 3.98Å
227K79.8Confident85.7Confident62 Ų6229.1 Ų29.127%0.2718%0.179SC..THydrogen-bonded Turntrans-84.8-3.8173.9-67.8-170.4178.9-162.40113.7E17 A223 L225E17-K227 IonicContact OE2-NZ 3.38Å; E17-K227 PolarHBondContact OE2-NZ 3.3Å; A223-K227 VanDerWaalsContact O-CB 3.31Å; A223-K227 WeakPolarHBondContact O-CB 3.48Å; A223-K227 VanDerWaalsContact O-CG 3.3Å; A223-K227 WeakPolarHBondContact O-CG 3.05Å; A223-K227 PolarHBondContact O-N 2.64Å; L225-K227 VanDerWaalsContact C-N 3.26Å; L225-K227 PolarHBondContact O-N 2.84Å
228A83Confident86.2Confident27 Ų2728.6 Ų28.622%0.22318%0.176CC..SBendtrans-71.5139.9-177.400000113.1A224 L225 N230 T231A224-A228 PolarHBondContact O-N 2.85Å; L225-A228 VanDerWaalsContact O-CB 3.27Å; L225-A228 WeakPolarHBondContact O-CB 3.1Å; L225-A228 PolarHBondContact O-N 3.47Å; L225-A228 VanDerWaalsContact O-N 3.11Å; A228-N230 WeakPolarHBondContact CB-OD1 3.42Å; A228-N230 PolarHBondContact O-N 2.87Å; A228-T231 PolarHBondContact O-N 2.97Å
229N81.4Confident86.8Confident133 Ų13328.6 Ų28.671%0.71118%0.176SC*.THydrogen-bonded Turntrans-65.86.8-179.3-69-4.5000115.5P269N229-P269 WeakPolarHBondContact O-CB 3.06Å; N229-P269 WeakPolarHBondContact O-CG 3.48Å
230N86.5Confident87.3Confident55 Ų5528 Ų2829%0.29417%0.17SC..THydrogen-bonded Turntrans-126.819.7175.565.6-11000111.9A228 R601A228-N230 WeakPolarHBondContact CB-OD1 3.42Å; A228-N230 PolarHBondContact O-N 2.87Å; N230-R601 WeakPolarHBondContact O-CB 3.5Å; N230-R601 PolarHBondContact O-N 2.89Å; N230-R601 PolarHBondContact OD1-NH1 3.17Å
231T89Confident87.3Confident1 Ų125.8 Ų25.81%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-125.9123-176.5-55.90000111L225 A228 G268 P269 R601 V603L225-T231 WeakPolarHBondContact O-CB 3.35Å; L225-T231 PolarHBondContact O-OG1 2.88Å; A228-T231 PolarHBondContact O-N 2.97Å; T231-G268 WeakPolarHBondContact O-CA 3.27Å; T231-P269 WeakPolarHBondContact O-CD 3.37Å; T231-R601 CarbonylContact C-O 3.51Å; T231-R601 WeakPolarHBondContact CA-O 3.18Å; T231-R601 HydrophobicContact CG2-CB 4.24Å; T231-V603 HydrophobicContact CG2-CG2 4.02Å
232Y91.8Very high87.3Confident12 Ų1222.8 Ų22.85%0.04713%0.133CC..EExtended strand (participates in β ladder)trans-85.5133.7160.8-67.6-76.5000109.1R267 P269 A270 F271 M298 L313 F600 R601 I602 V603Y232-R267 CarbonylContact C-O 3.53Å; Y232-R267 WeakPolarHBondContact CA-O 3.36Å; Y232-P269 HydrophobicContact CE1-CG 4.48Å; Y232-A270 HydrophobicContact CE1-CB 4.19Å; Y232-A270 WeakPolarHBondContact OH-CB 3.46Å; Y232-F271 AromaticContact CD1-CE2 3.83Å; Y232-F271 HydrophobicContact CD1-CE2 3.83Å; Y232-F271 HydrophobicContact CD1-CZ 4.06Å; Y232-F271 AromaticContact CE1-CE2 3.83Å; Y232-F271 HydrophobicContact CE1-CE2 3.83Å; Y232-F271 AromaticContact CE1-CZ 3.76Å; Y232-F271 HydrophobicContact CE1-CZ 3.76Å; Y232-M298 HydrophobicContact CD1-CE 3.95Å; Y232-M298 HydrophobicContact CD1-CG 4.25Å; Y232-M298 HydrophobicContact CD1-SD 3.89Å; Y232-M298 HydrophobicContact CD2-CB 4.09Å; Y232-M298 HydrophobicContact CD2-CG 4.26Å; Y232-M298 HydrophobicContact CD2-SD 4.3Å; Y232-M298 HydrophobicContact CE1-CG 4.41Å; Y232-M298 HydrophobicContact CE2-CB 4.22Å; Y232-M298 HydrophobicContact CE2-CG 4.39Å; Y232-M298 HydrophobicContact CG-CB 4.46Å; Y232-M298 HydrophobicContact CG-CE 4.39Å; Y232-M298 HydrophobicContact CG-CG 4.19Å; Y232-M298 HydrophobicContact CG-SD 3.74Å; Y232-L313 HydrophobicContact CE1-CD1 4.3Å; Y232-F600 HydrophobicContact CD2-CB 3.91Å; Y232-F600 HydrophobicContact CD2-CD1 4.41Å; Y232-F600 HydrophobicContact CD2-CG 4.18Å; Y232-F600 HydrophobicContact CE2-CB 3.79Å; Y232-F600 AromaticContact CE2-CD1 3.81Å; Y232-F600 HydrophobicContact CE2-CD1 3.81Å; Y232-F600 AromaticContact CE2-CD2 3.94Å; Y232-F600 HydrophobicContact CE2-CD2 3.94Å; Y232-F600 HydrophobicContact CE2-CE1 4.4Å; Y232-F600 HydrophobicContact CE2-CE2 4.48Å; Y232-F600 AromaticContact CE2-CG 3.57Å; Y232-F600 HydrophobicContact CE2-CG 3.57Å; Y232-R601 PolarHBondContact N-O 2.57Å; Y232-I602 HydrophobicContact CD2-CG1 4.46Å; Y232-V603 PolarHBondContact O-N 2.86Å
233F92.2Very high86.7Confident1 Ų123.8 Ų23.80%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-126.5126.5176.8176.1-138.3000110.1I14 F15 V218 L226 A266 R267 V603I14-F233 HydrophobicContact CG2-CD1 4.01Å; I14-F233 HydrophobicContact CG2-CE1 4.08Å; F15-F233 HydrophobicContact CD1-CD1 4.48Å; F15-F233 HydrophobicContact CD2-CE1 4.48Å; F15-F233 AromaticContact CE1-CD1 3.5Å; F15-F233 HydrophobicContact CE1-CD1 3.5Å; F15-F233 AromaticContact CE1-CE1 3.75Å; F15-F233 HydrophobicContact CE1-CE1 3.75Å; F15-F233 HydrophobicContact CE1-CG 4.33Å; F15-F233 HydrophobicContact CE2-CD1 4.13Å; F15-F233 AromaticContact CE2-CE1 3.48Å; F15-F233 HydrophobicContact CE2-CE1 3.48Å; F15-F233 VanDerWaalsContact CE2-CE1 3.48Å; F15-F233 HydrophobicContact CE2-CZ 4.16Å; F15-F233 AromaticContact CZ-CD1 3.3Å; F15-F233 HydrophobicContact CZ-CD1 3.3Å; F15-F233 AromaticContact CZ-CE1 3.02Å; F15-F233 HydrophobicContact CZ-CE1 3.02Å; F15-F233 HydrophobicContact CZ-CG 4.21Å; F15-F233 AromaticContact CZ-CZ 3.75Å; F15-F233 HydrophobicContact CZ-CZ 3.75Å; V218-F233 HydrophobicContact CG1-CE1 4.24Å; V218-F233 HydrophobicContact CG1-CZ 3.84Å; L226-F233 HydrophobicContact CB-CD1 4.19Å; L226-F233 HydrophobicContact CB-CG 4.35Å; L226-F233 HydrophobicContact CD1-CD1 3.93Å; L226-F233 HydrophobicContact CD1-CD2 4.24Å; L226-F233 HydrophobicContact CD1-CE1 3.7Å; L226-F233 HydrophobicContact CD1-CE2 4.07Å; L226-F233 HydrophobicContact CD1-CG 4.21Å; L226-F233 HydrophobicContact CD1-CZ 3.8Å; L226-F233 HydrophobicContact CD2-CB 3.97Å; L226-F233 HydrophobicContact CD2-CD1 4.2Å; L226-F233 HydrophobicContact CD2-CD2 3.59Å; L226-F233 HydrophobicContact CD2-CE2 4.12Å; L226-F233 HydrophobicContact CD2-CG 3.66Å; L226-F233 HydrophobicContact CG-CD1 4.31Å; L226-F233 HydrophobicContact CG-CD2 4.44Å; L226-F233 HydrophobicContact CG-CG 4.26Å; F233-A266 CarbonylContact O-C 3.55Å; F233-A266 VanDerWaalsContact O-CA 3.29Å; F233-A266 WeakPolarHBondContact O-CA 3.42Å; F233-R267 HydrophobicContact CB-CB 4.36Å; F233-R267 PolarHBondContact N-O 3.44Å; F233-R267 PolarHBondContact O-N 3.36Å; F233-V603 VanDerWaalsContact CA-O 3.31Å; F233-V603 WeakPolarHBondContact CA-O 3.14Å; F233-V603 HydrophobicContact CD2-CB 4.19Å; F233-V603 HydrophobicContact CD2-CG1 4.18Å; F233-V603 WeakPolarHBondContact CD2-O 3.43Å; F233-V603 HydrophobicContact CE2-CG1 4.48Å
234M93.6Very high86.1Confident2 Ų223.1 Ų23.11%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-122.3137.8175.2-74.5173.653.700110F264 F265 A266 I291 T294 I295 M298 F312 V603 F604 S605M234-F264 HydrophobicContact CE-CE1 4.37Å; M234-F264 HydrophobicContact CE-CZ 4.41Å; M234-F265 CarbonylContact C-O 3.52Å; M234-F265 WeakPolarHBondContact CA-O 3.44Å; M234-A266 HydrophobicContact CG-CB 4.31Å; M234-I291 HydrophobicContact CE-CB 4.18Å; M234-I291 HydrophobicContact CE-CG1 3.85Å; M234-I291 HydrophobicContact CE-CG2 3.85Å; M234-T294 HydrophobicContact SD-CG2 4.43Å; M234-I295 HydrophobicContact SD-CG1 4.45Å; M234-M298 HydrophobicContact SD-CE 4.27Å; M234-M298 HydrophobicContact SD-SD 4.3Å; M234-F312 HydrophobicContact CE-CE1 4.05Å; M234-F312 HydrophobicContact CE-CZ 3.5Å; M234-F312 VanDerWaalsContact CE-CZ 3.5Å; M234-F312 HydrophobicContact SD-CZ 3.84Å; M234-V603 PolarHBondContact N-O 2.9Å; M234-F604 HydrophobicContact CB-CD2 3.77Å; M234-F604 HydrophobicContact CB-CE2 4.43Å; M234-F604 HydrophobicContact CE-CD2 4.11Å; M234-F604 HydrophobicContact CE-CE2 4.21Å; M234-S605 PolarHBondContact O-N 3.29Å
235Y93Very high85.6Confident1 Ų120 Ų200%0.00410%0.104CC..EExtended strand (participates in β ladder)trans-130.9127.3177.2175.5-89.2000111.1M5 M8 T11 F15 P263 F264 F265 S605 V607M5-Y235 HydrophobicContact CE-CD1 4.37Å; M5-Y235 HydrophobicContact CE-CE1 4.14Å; M5-Y235 HydrophobicContact SD-CD1 4.09Å; M5-Y235 HydrophobicContact SD-CE1 3.36Å; M5-Y235 WeakPolarHBondContact SD-CE1 3.45Å; M8-Y235 HydrophobicContact CE-CE2 3.89Å; M8-Y235 WeakPolarHBondContact CE-OH 3.41Å; M8-Y235 PolarHBondContact SD-OH 2.92Å; T11-Y235 HydrophobicContact CG2-CD2 4.28Å; T11-Y235 HydrophobicContact CG2-CE2 4.39Å; T11-Y235 HydrophobicContact CG2-CG 4.5Å; F15-Y235 HydrophobicContact CE2-CG 4.32Å; Y235-P263 HydrophobicContact CE1-CB 4.12Å; Y235-P263 HydrophobicContact CE1-CG 3.93Å; Y235-F264 WeakPolarHBondContact O-CA 3.27Å; Y235-F265 HydrophobicContact CD1-CD2 4.06Å; Y235-F265 PolarHBondContact N-O 2.89Å; Y235-F265 PolarHBondContact O-N 3.19Å; Y235-S605 WeakPolarHBondContact CA-O 3.48Å; Y235-V607 HydrophobicContact CE2-CG1 3.93Å; Y235-V607 WeakPolarHBondContact OH-CG2 3.47Å
236T94.7Very high84.8Confident1 Ų119.3 Ų19.31%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-155.9-170.4179.5-1660000112.8M39 P263 I291 F604 S605 E606 V607M39-T236 HydrophobicContact SD-CG2 4.47Å; T236-P263 VanDerWaalsContact CA-O 3.24Å; T236-P263 WeakPolarHBondContact CA-O 3.23Å; T236-P263 WeakPolarHBondContact CB-O 3.46Å; T236-P263 PolarHBondContact OG1-O 3.44Å; T236-I291 HydrophobicContact CG2-CD1 3.79Å; T236-F604 HydrophobicContact CG2-CE2 3.49Å; T236-F604 VanDerWaalsContact CG2-CE2 3.49Å; T236-F604 HydrophobicContact CG2-CZ 3.49Å; T236-F604 VanDerWaalsContact CG2-CZ 3.49Å; T236-S605 PolarHBondContact N-O 3.31Å; T236-E606 WeakPolarHBondContact O-CA 3.43Å; T236-V607 PolarHBondContact O-N 3.38Å
237S93.7Very high83.9Confident0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-136.4154.3176.2-177.50000112M1 H239 V607M1-S237 WeakPolarHBondContact CE-OG 3.41Å; S237-H239 PolarHBondContact OG-O 3Å; S237-V607 WeakPolarHBondContact CA-O 3.35Å; S237-V607 VanDerWaalsContact CB-O 3.31Å; S237-V607 WeakPolarHBondContact CB-O 3.5Å; S237-V607 PolarHBondContact OG-O 2.59Å
238D93.1Very high83.5Confident0 Ų018.1 Ų18.10%010%0.104CC..SBendtrans-65.8-35.7172.954.16.5000114.2A27 C32 S35 R36 M39 E606 V607 G608A27-D238 WeakPolarHBondContact CB-O 3.21Å; C32-D238 PolarHBondContact SG-OD2 3.46Å; S35-D238 WeakPolarHBondContact CB-O 3.4Å; S35-D238 PolarHBondContact OG-O 2.88Å; R36-D238 HydrophobicContact CG-CB 4.11Å; R36-D238 IonicContact CZ-OD2 3.55Å; R36-D238 IonicContact NE-OD2 3.29Å; R36-D238 PolarHBondContact NE-OD2 2.84Å; R36-D238 IonicContact NH2-OD2 3.23Å; R36-D238 PolarHBondContact NH2-OD2 3.24Å; M39-D238 HydrophobicContact CE-CB 3.59Å; D238-E606 VanDerWaalsContact CB-OE1 3.23Å; D238-E606 WeakPolarHBondContact CB-OE1 2.94Å; D238-V607 PolarHBondContact N-O 3.21Å; D238-G608 WeakPolarHBondContact OD1-CA 3.46Å
239H93Very high82.9Confident1 Ų123.3 Ų23.31%0.00513%0.126CC..  trans-165.8166.7177.35242000111.4A27 P30 C32 S237 K252 G608A27-H239 HydrophobicContact CB-CB 4.39Å; P30-H239 HydrophobicContact CB-CB 4.42Å; C32-H239 PolarHBondContact N-CD2 2.82Å; C32-H239 PolarHBondContact SG-NE2 2.89Å; S237-H239 PolarHBondContact OG-O 3Å; H239-K252 PolarHBondContact CE1-NZ 2.75Å; H239-K252 WeakPolarHBondContact NE2-CD 3.43Å; H239-K252 PolarHBondContact NE2-NZ 2.93Å; H239-G608 PolarHBondContact CE1-OXT 2.96Å
240G88.9Confident82.6Confident0 Ų020.5 Ų20.50%011%0.108CC..  trans-71.6-176.7164.200000113.5F258 D259G240-F258 CarbonylContact C-O 3.47Å; G240-F258 VanDerWaalsContact CA-O 3.25Å; G240-F258 WeakPolarHBondContact CA-O 3.45Å; G240-D259 VanDerWaalsContact CA-O 3.3Å; G240-D259 WeakPolarHBondContact CA-O 3.28Å; G240-D259 PolarHBondContact N-O 3.02Å
241Y83.2Confident82.1Confident40 Ų4018.5 Ų18.516%0.15710%0.101CC..  trans-160.6125.2-179.1-162.3-87.9000108.9R207 L243 K250 G251 K252 F258R207-Y241 VanDerWaalsContact NH1-CD1 3.33Å; R207-Y241 VanDerWaalsContact NH2-CZ 3.3Å; R207-Y241 PolarHBondContact NH2-OH 3.36Å; Y241-L243 HydrophobicContact CD1-CD2 3.47Å; Y241-L243 VanDerWaalsContact CD1-CD2 3.47Å; Y241-L243 HydrophobicContact CD1-CG 3.98Å; Y241-L243 HydrophobicContact CE1-CD2 3.51Å; Y241-L243 HydrophobicContact CE1-CG 4.45Å; Y241-K250 HydrophobicContact CE1-CB 3.97Å; Y241-K250 HydrophobicContact CE1-CG 4.47Å; Y241-G251 CarbonylContact C-O 3.59Å; Y241-G251 WeakPolarHBondContact CA-O 3.44Å; Y241-G251 WeakPolarHBondContact CD1-O 3.45Å; Y241-G251 VanDerWaalsContact CD2-O 3.24Å; Y241-G251 WeakPolarHBondContact CD2-O 3.28Å; Y241-G251 WeakPolarHBondContact CE2-O 3.38Å; Y241-K252 HydrophobicContact CD2-CB 4.16Å; Y241-F258 PolarHBondContact N-O 3.23Å
242H81.4Confident81.9Confident11 Ų1119.8 Ų19.85%0.05111%0.106CC..BIsolated β-bridgetrans-86.314317252.8-87.4000111.7Q245 I249 K250 G251 K252 F258 D259H242-Q245 VanDerWaalsContact CA-OE1 3.23Å; H242-Q245 VanDerWaalsContact CB-OE1 3.3Å; H242-I249 PolarHBondContact CD2-O 3.3Å; H242-I249 PolarHBondContact NE2-O 2.95Å; H242-K250 CarbonylContact O-C 3.54Å; H242-K250 VanDerWaalsContact O-CA 3.26Å; H242-K250 WeakPolarHBondContact O-CA 3.15Å; H242-G251 PolarHBondContact CE1-O 2.64Å; H242-G251 PolarHBondContact N-O 3.39Å; H242-G251 PolarHBondContact ND1-O 3.17Å; H242-G251 VanDerWaalsContact ND1-O 3.16Å; H242-G251 WeakPolarHBondContact NE2-CA 3.41Å; H242-G251 PolarHBondContact O-N 3.17Å; H242-K252 PolarHBondContact CE1-N 3.48Å; H242-K252 PolarHBondContact CE1-O 3.33Å; H242-F258 HydrophobicContact CB-CD2 3.57Å; H242-F258 HydrophobicContact CB-CE2 3.65Å; H242-F258 HydrophobicContact CB-CG 4.4Å; H242-F258 AromaticContact CG-CE2 3.87Å; H242-F258 AromaticContact ND1-CE2 3.67Å; H242-D259 IonicContact CE1-OD1 2.99Å; H242-D259 IonicContact CE1-OD2 2.75Å; H242-D259 PolarHBondContact CE1-OD2 2.78Å; H242-D259 VanDerWaalsContact CE1-OD2 3.29Å; H242-D259 IonicContact CG-OD1 3.02Å; H242-D259 PolarHBondContact N-OD1 2.78Å; H242-D259 VanDerWaalsContact N-OD1 3.07Å; H242-D259 IonicContact ND1-OD1 3.91Å; H242-D259 PolarHBondContact ND1-OD1 3.17Å; H242-D259 IonicContact ND1-OD2 3.31Å; H242-D259 PolarHBondContact ND1-OD2 2.98Å
243L72.7Confident81.6Confident25 Ų2520.7 Ų20.713%0.13111%0.113CC..SBendtrans-129.228.3-173.1-63.3172.4000111.9A203 R204 R207 Y241 K250A203-L243 HydrophobicContact CB-CD2 4.21Å; R204-L243 HydrophobicContact CB-CD1 4.4Å; R204-L243 HydrophobicContact CG-CD1 4.47Å; R207-L243 VanDerWaalsContact NE-CD2 3.35Å; Y241-L243 HydrophobicContact CD1-CD2 3.47Å; Y241-L243 VanDerWaalsContact CD1-CD2 3.47Å; Y241-L243 HydrophobicContact CD1-CG 3.98Å; Y241-L243 HydrophobicContact CE1-CD2 3.51Å; Y241-L243 HydrophobicContact CE1-CG 4.45Å; L243-K250 HydrophobicContact CD2-CB 4.39Å
244G68.1Low81.3Confident4 Ų420.9 Ų20.94%0.04111%0.114CC..SBendtrans120.11.2-177.100000115.4N196 F246 G247 L248N196-G244 PolarHBondContact N-O 3.16Å; N196-G244 VanDerWaalsContact N-O 3.08Å; G244-F246 PolarHBondContact O-N 2.75Å; G244-G247 PolarHBondContact O-N 3.43Å; G244-L248 WeakPolarHBondContact CA-O 3.35Å; G244-L248 PolarHBondContact N-O 3.41Å
245Q71.2Confident81.1Confident23 Ų2320.8 Ų20.811%0.10711%0.113CC..BIsolated β-bridgetrans-52.6129.2171.8-68.883.7-12.700108.9T194 H242 G247 L248 F258T194-Q245 CarbonylContact O-C 3.57Å; T194-Q245 WeakPolarHBondContact O-CA 3.45Å; H242-Q245 VanDerWaalsContact CA-OE1 3.23Å; H242-Q245 VanDerWaalsContact CB-OE1 3.3Å; Q245-G247 PolarHBondContact O-N 3.48Å; Q245-L248 WeakPolarHBondContact O-CB 3.37Å; Q245-L248 WeakPolarHBondContact O-CD1 3.05Å; Q245-L248 WeakPolarHBondContact O-CG 3.39Å; Q245-L248 PolarHBondContact O-N 2.94Å; Q245-F258 HydrophobicContact CB-CD1 4.37Å; Q245-F258 HydrophobicContact CB-CE1 4.4Å; Q245-F258 HydrophobicContact CG-CD1 4.41Å
246F67.5Low80.8Confident4 Ų420.8 Ų20.82%0.01811%0.113CC..THydrogen-bonded Turntrans53.135.8-178.1-43.1-77.6000113T194 G244 L248 F258 H497 F513 F515 F556 V558T194-F246 VanDerWaalsContact CB-CE1 3.47Å; T194-F246 HydrophobicContact CG2-CD1 4.05Å; T194-F246 HydrophobicContact CG2-CE1 3.18Å; T194-F246 HydrophobicContact CG2-CE2 4.39Å; T194-F246 HydrophobicContact CG2-CZ 3.37Å; T194-F246 PolarHBondContact O-N 2.89Å; G244-F246 PolarHBondContact O-N 2.75Å; F246-L248 PolarHBondContact O-N 3.23Å; F246-F258 HydrophobicContact CD2-CE1 4.02Å; F246-F258 HydrophobicContact CE2-CD1 4.26Å; F246-F258 AromaticContact CE2-CE1 3.72Å; F246-F258 HydrophobicContact CE2-CE1 3.72Å; F246-H497 VanDerWaalsContact C-CE1 3.46Å; F246-H497 PolarHBondContact O-CE1 3.4Å; F246-H497 PolarHBondContact O-NE2 3.11Å; F246-F513 AromaticContact CD1-CE2 3.88Å; F246-F513 HydrophobicContact CD1-CE2 3.88Å; F246-F513 AromaticContact CD1-CZ 3.96Å; F246-F513 HydrophobicContact CD1-CZ 3.96Å; F246-F515 HydrophobicContact CB-CB 4.45Å; F246-F515 HydrophobicContact CB-CD1 3.67Å; F246-F515 HydrophobicContact CB-CD2 4.01Å; F246-F515 HydrophobicContact CB-CE1 3.84Å; F246-F515 HydrophobicContact CB-CE2 4.16Å; F246-F515 HydrophobicContact CB-CG 3.77Å; F246-F515 HydrophobicContact CB-CZ 4.07Å; F246-F515 HydrophobicContact CD1-CD2 4.09Å; F246-F515 HydrophobicContact CD1-CE2 4.23Å; F246-F515 HydrophobicContact CD2-CD2 4.36Å; F246-F515 HydrophobicContact CD2-CE1 4.28Å; F246-F515 AromaticContact CD2-CE2 3.78Å; F246-F515 HydrophobicContact CD2-CE2 3.78Å; F246-F515 AromaticContact CD2-CZ 3.73Å; F246-F515 HydrophobicContact CD2-CZ 3.73Å; F246-F515 HydrophobicContact CE2-CE2 4.27Å; F246-F515 HydrophobicContact CE2-CZ 4.46Å; F246-F515 HydrophobicContact CG-CD1 4.35Å; F246-F515 AromaticContact CG-CD2 3.88Å; F246-F515 HydrophobicContact CG-CD2 3.88Å; F246-F515 HydrophobicContact CG-CE1 4.25Å; F246-F515 AromaticContact CG-CE2 3.77Å; F246-F515 HydrophobicContact CG-CE2 3.77Å; F246-F515 HydrophobicContact CG-CG 4.17Å; F246-F515 AromaticContact CG-CZ 3.97Å; F246-F515 HydrophobicContact CG-CZ 3.97Å; F246-F556 HydrophobicContact CE1-CB 4.09Å; F246-F556 HydrophobicContact CZ-CB 3.9Å; F246-F556 WeakPolarHBondContact CZ-O 3.47Å; F246-V558 HydrophobicContact CD1-CG2 4.4Å; F246-V558 HydrophobicContact CE1-CG2 3.7Å; F246-V558 HydrophobicContact CZ-CG2 4.44Å
247G64.1Low80.6Confident31 Ų3121.5 Ų21.532%0.3212%0.117SC..THydrogen-bonded Turntrans66.89.1-178.900000114.8N196 G244 Q245N196-G247 PolarHBondContact ND2-N 3.15Å; G244-G247 PolarHBondContact O-N 3.43Å; Q245-G247 PolarHBondContact O-N 3.48Å
248L70.9Confident80.1Confident8 Ų821.9 Ų21.94%0.04212%0.119CC..PPolyproline II helixtrans-65.3135177.4-66169.7000110.8G244 Q245 F246 L254 F258 F515 Q517G244-L248 WeakPolarHBondContact CA-O 3.35Å; G244-L248 PolarHBondContact N-O 3.41Å; Q245-L248 WeakPolarHBondContact O-CB 3.37Å; Q245-L248 WeakPolarHBondContact O-CD1 3.05Å; Q245-L248 WeakPolarHBondContact O-CG 3.39Å; Q245-L248 PolarHBondContact O-N 2.94Å; F246-L248 PolarHBondContact O-N 3.23Å; L248-L254 HydrophobicContact CD1-CD1 3.34Å; L248-L254 HydrophobicContact CD2-CD1 4.12Å; L248-L254 HydrophobicContact CG-CD1 4.35Å; L248-F258 HydrophobicContact CD1-CE2 4.16Å; L248-F258 HydrophobicContact CD1-CZ 3.68Å; L248-F515 HydrophobicContact CD1-CE1 3.86Å; L248-F515 HydrophobicContact CD1-CZ 4.29Å; L248-F515 HydrophobicContact CD2-CE1 3.98Å; L248-F515 HydrophobicContact CG-CE1 4.03Å; L248-Q517 HydrophobicContact CD2-CB 3.85Å
249I70.2Confident80Confident136 Ų13621.9 Ų21.970%0.69712%0.119SC*.PPolyproline II helixtrans-61.9140.5170.9-62.6174.4000108.3H242 G251H242-I249 PolarHBondContact CD2-O 3.3Å; H242-I249 PolarHBondContact NE2-O 2.95Å; I249-G251 PolarHBondContact O-N 3.49Å
250K74.8Confident80Confident74 Ų7421.8 Ų21.832%0.32212%0.119SC..SBendtrans-48.2130.8-179.278.2175.5-175.6174.90111.4E173 Y241 H242 L243E173-K250 VanDerWaalsContact CD-NZ 3.3Å; E173-K250 IonicContact OE1-NZ 3.66Å; E173-K250 PolarHBondContact OE1-NZ 2.69Å; E173-K250 IonicContact OE2-NZ 3.8Å; E173-K250 PolarHBondContact OE2-NZ 2.83Å; Y241-K250 HydrophobicContact CE1-CB 3.97Å; Y241-K250 HydrophobicContact CE1-CG 4.47Å; H242-K250 CarbonylContact O-C 3.54Å; H242-K250 VanDerWaalsContact O-CA 3.26Å; H242-K250 WeakPolarHBondContact O-CA 3.15Å; L243-K250 HydrophobicContact CD2-CB 4.39Å
251G77.5Confident80.2Confident14 Ų1424.9 Ų24.914%0.14413%0.132CC..BIsolated β-bridgetrans-179.1-175-169.900000112.7Y241 H242 I249Y241-G251 CarbonylContact C-O 3.59Å; Y241-G251 WeakPolarHBondContact CA-O 3.44Å; Y241-G251 WeakPolarHBondContact CD1-O 3.45Å; Y241-G251 VanDerWaalsContact CD2-O 3.24Å; Y241-G251 WeakPolarHBondContact CD2-O 3.28Å; Y241-G251 WeakPolarHBondContact CE2-O 3.38Å; H242-G251 PolarHBondContact CE1-O 2.64Å; H242-G251 PolarHBondContact N-O 3.39Å; H242-G251 PolarHBondContact ND1-O 3.17Å; H242-G251 VanDerWaalsContact ND1-O 3.16Å; H242-G251 WeakPolarHBondContact NE2-CA 3.41Å; H242-G251 PolarHBondContact O-N 3.17Å; I249-G251 PolarHBondContact O-N 3.49Å
252K83.9Confident80.7Confident28 Ų2823.3 Ų23.312%0.12213%0.127CC..  trans-129.1-169.3166.548.3-173.6169.6-148.60106.1C32 H170 H239 Y241 H242 D259C32-K252 PolarHBondContact SG-NZ 3.09Å; H170-K252 PolarHBondContact NE2-NZ 3.11Å; H239-K252 PolarHBondContact CE1-NZ 2.75Å; H239-K252 WeakPolarHBondContact NE2-CD 3.43Å; H239-K252 PolarHBondContact NE2-NZ 2.93Å; Y241-K252 HydrophobicContact CD2-CB 4.16Å; H242-K252 PolarHBondContact CE1-N 3.48Å; H242-K252 PolarHBondContact CE1-O 3.33Å; K252-D259 WeakPolarHBondContact CA-OD2 3.11Å
253T85.1Confident81.3Confident31 Ų3123.6 Ų23.619%0.1913%0.129CC..  trans105.1-17.5164.384.40000116.5P30 I31 D259 R342 Y524P30-T253 VanDerWaalsContact CG-C 3.5Å; P30-T253 WeakPolarHBondContact CG-O 3.33Å; I31-T253 HydrophobicContact CD1-CG2 3.29Å; T253-D259 PolarHBondContact N-OD2 2.63Å; T253-R342 WeakPolarHBondContact O-CD 3.4Å; T253-R342 PolarHBondContact O-NH1 3.22Å; T253-R342 PolarHBondContact OG1-NH1 3.36Å; T253-R342 PolarHBondContact OG1-NH2 2.96Å; T253-Y524 WeakPolarHBondContact O-CE1 3.31Å; T253-Y524 PolarHBondContact O-OH 2.8Å
254L87Confident82.3Confident5 Ų522.4 Ų22.43%0.02612%0.123CC..  trans-80.7157.4-178.9-56.9-178.2000112.5L248 Y256 F258 D259 Q517 N518 Y524L248-L254 HydrophobicContact CD1-CD1 3.34Å; L248-L254 HydrophobicContact CD2-CD1 4.12Å; L248-L254 HydrophobicContact CG-CD1 4.35Å; L254-Y256 HydrophobicContact CB-CD2 3.62Å; L254-Y256 HydrophobicContact CB-CE2 4.18Å; L254-Y256 HydrophobicContact CD1-CD2 3.96Å; L254-Y256 HydrophobicContact CD1-CE2 4.15Å; L254-Y256 HydrophobicContact CG-CD2 4.39Å; L254-Y256 PolarHBondContact O-N 3.25Å; L254-F258 HydrophobicContact CB-CE2 4.15Å; L254-F258 HydrophobicContact CB-CZ 4.45Å; L254-F258 HydrophobicContact CD1-CE2 3.97Å; L254-F258 HydrophobicContact CD1-CZ 3.94Å; L254-D259 WeakPolarHBondContact CB-OD2 3.16Å; L254-D259 PolarHBondContact N-OD2 3.27Å; L254-D259 WeakPolarHBondContact O-CB 3.28Å; L254-Q517 WeakPolarHBondContact CD2-O 3.47Å; L254-N518 HydrophobicContact CD2-CB 4.21Å; L254-Y524 PolarHBondContact O-OH 3.29Å
255P88.4Confident83.5Confident0 Ų022.3 Ų22.30%012%0.122CC..SBendtrans-76.1-9.8-177.729.3-33.7000114.1V260 Y524 C526 F541P255-V260 WeakPolarHBondContact O-CG2 3.41Å; P255-Y524 HydrophobicContact CB-CD2 3.95Å; P255-Y524 HydrophobicContact CB-CE1 4.17Å; P255-Y524 HydrophobicContact CB-CE2 3.56Å; P255-Y524 HydrophobicContact CB-CG 4.45Å; P255-Y524 HydrophobicContact CG-CD1 4.42Å; P255-Y524 HydrophobicContact CG-CE1 4.18Å; P255-Y524 HydrophobicContact CG-CE2 4.4Å; P255-C526 WeakPolarHBondContact CB-SG 3.43Å; P255-F541 HydrophobicContact CG-CE1 4.49Å; P255-F541 HydrophobicContact CG-CZ 4.1Å
256Y87.8Confident84.5Confident0 Ų021.2 Ų21.20%012%0.116CC..SBendtrans-70.2150.8-171.6-59.8-57.6000112.7L254 F258 D259 V260 F515 C516 L537 Y549 Q557L254-Y256 HydrophobicContact CB-CD2 3.62Å; L254-Y256 HydrophobicContact CB-CE2 4.18Å; L254-Y256 HydrophobicContact CD1-CD2 3.96Å; L254-Y256 HydrophobicContact CD1-CE2 4.15Å; L254-Y256 HydrophobicContact CG-CD2 4.39Å; L254-Y256 PolarHBondContact O-N 3.25Å; Y256-F258 VanDerWaalsContact CB-CZ 3.45Å; Y256-F258 AromaticContact CD2-CE1 3.82Å; Y256-F258 HydrophobicContact CD2-CE1 3.82Å; Y256-F258 HydrophobicContact CD2-CE2 4.2Å; Y256-F258 AromaticContact CD2-CZ 3.38Å; Y256-F258 HydrophobicContact CD2-CZ 3.38Å; Y256-F258 HydrophobicContact CE2-CZ 4.44Å; Y256-F258 AromaticContact CG-CE1 3.76Å; Y256-F258 HydrophobicContact CG-CE1 3.76Å; Y256-F258 AromaticContact CG-CZ 3.76Å; Y256-F258 HydrophobicContact CG-CZ 3.76Å; Y256-F258 PolarHBondContact O-N 2.79Å; Y256-D259 PolarHBondContact O-N 3.15Å; Y256-V260 WeakPolarHBondContact O-CG2 3.29Å; Y256-V260 PolarHBondContact O-N 3.39Å; Y256-F515 HydrophobicContact CD2-CZ 4.14Å; Y256-F515 HydrophobicContact CE2-CE1 4.36Å; Y256-F515 HydrophobicContact CE2-CE2 4.3Å; Y256-F515 AromaticContact CE2-CZ 3.56Å; Y256-F515 HydrophobicContact CE2-CZ 3.56Å; Y256-F515 AromaticContact CZ-CZ 3.89Å; Y256-C516 PolarHBondContact OH-O 2.91Å; Y256-L537 HydrophobicContact CD1-CD2 4.36Å; Y256-Y549 HydrophobicContact CD1-CE2 4.46Å; Y256-Y549 HydrophobicContact CE1-CD2 4.5Å; Y256-Y549 AromaticContact CE1-CE2 3.71Å; Y256-Y549 HydrophobicContact CE1-CE2 3.71Å; Y256-Q557 HydrophobicContact CD1-CB 4.06Å; Y256-Q557 HydrophobicContact CE1-CB 4.3Å
257D89.2Confident85.5Confident17 Ų1721.6 Ų21.69%0.09112%0.118CC..Hα-helixtrans-48.4-31.4-177.5-90.77.8000114D259 K261 R528D257-D259 VanDerWaalsContact C-N 3.26Å; D257-D259 PolarHBondContact O-N 3.25Å; D257-K261 HydrophobicContact CB-CB 4.19Å; D257-K261 WeakPolarHBondContact O-CA 3.25Å; D257-K261 WeakPolarHBondContact O-CB 3.13Å; D257-K261 PolarHBondContact O-N 3.36Å; D257-R528 IonicContact OD1-CZ 3.24Å; D257-R528 IonicContact OD1-NE 3.62Å; D257-R528 PolarHBondContact OD1-NE 3.19Å; D257-R528 IonicContact OD1-NH2 2.96Å; D257-R528 IonicContact OD2-CZ 3.71Å; D257-R528 IonicContact OD2-NE 2.87Å; D257-R528 IonicContact OD2-NH2 3.41Å; D257-R528 PolarHBondContact OD2-NH2 2.97Å
258F85.2Confident86.5Confident7 Ų720.5 Ų20.53%0.03111%0.106CC..Hα-helixtrans-66.2-24.217854.1-108.3000114.7L2 G240 Y241 H242 Q245 F246 L248 L254 Y256L2-F258 HydrophobicContact CD1-CB 4.43Å; G240-F258 CarbonylContact C-O 3.47Å; G240-F258 VanDerWaalsContact CA-O 3.25Å; G240-F258 WeakPolarHBondContact CA-O 3.45Å; Y241-F258 PolarHBondContact N-O 3.23Å; H242-F258 HydrophobicContact CB-CD2 3.57Å; H242-F258 HydrophobicContact CB-CE2 3.65Å; H242-F258 HydrophobicContact CB-CG 4.4Å; H242-F258 AromaticContact CG-CE2 3.87Å; H242-F258 AromaticContact ND1-CE2 3.67Å; Q245-F258 HydrophobicContact CB-CD1 4.37Å; Q245-F258 HydrophobicContact CB-CE1 4.4Å; Q245-F258 HydrophobicContact CG-CD1 4.41Å; F246-F258 HydrophobicContact CD2-CE1 4.02Å; F246-F258 HydrophobicContact CE2-CD1 4.26Å; F246-F258 AromaticContact CE2-CE1 3.72Å; F246-F258 HydrophobicContact CE2-CE1 3.72Å; L248-F258 HydrophobicContact CD1-CE2 4.16Å; L248-F258 HydrophobicContact CD1-CZ 3.68Å; L254-F258 HydrophobicContact CB-CE2 4.15Å; L254-F258 HydrophobicContact CB-CZ 4.45Å; L254-F258 HydrophobicContact CD1-CE2 3.97Å; L254-F258 HydrophobicContact CD1-CZ 3.94Å; Y256-F258 VanDerWaalsContact CB-CZ 3.45Å; Y256-F258 AromaticContact CD2-CE1 3.82Å; Y256-F258 HydrophobicContact CD2-CE1 3.82Å; Y256-F258 HydrophobicContact CD2-CE2 4.2Å; Y256-F258 AromaticContact CD2-CZ 3.38Å; Y256-F258 HydrophobicContact CD2-CZ 3.38Å; Y256-F258 HydrophobicContact CE2-CZ 4.44Å; Y256-F258 AromaticContact CG-CE1 3.76Å; Y256-F258 HydrophobicContact CG-CE1 3.76Å; Y256-F258 AromaticContact CG-CZ 3.76Å; Y256-F258 HydrophobicContact CG-CZ 3.76Å; Y256-F258 PolarHBondContact O-N 2.79Å
259D89.9Confident86.7Confident0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-103.5-22.9179.8-86.26.4000113.2P30 G240 H242 K252 T253 L254 Y256 D257P30-D259 HydrophobicContact CB-CB 4.08Å; P30-D259 WeakPolarHBondContact CB-O 3.38Å; G240-D259 VanDerWaalsContact CA-O 3.3Å; G240-D259 WeakPolarHBondContact CA-O 3.28Å; G240-D259 PolarHBondContact N-O 3.02Å; H242-D259 IonicContact CE1-OD1 2.99Å; H242-D259 IonicContact CE1-OD2 2.75Å; H242-D259 PolarHBondContact CE1-OD2 2.78Å; H242-D259 VanDerWaalsContact CE1-OD2 3.29Å; H242-D259 IonicContact CG-OD1 3.02Å; H242-D259 PolarHBondContact N-OD1 2.78Å; H242-D259 VanDerWaalsContact N-OD1 3.07Å; H242-D259 IonicContact ND1-OD1 3.91Å; H242-D259 PolarHBondContact ND1-OD1 3.17Å; H242-D259 IonicContact ND1-OD2 3.31Å; H242-D259 PolarHBondContact ND1-OD2 2.98Å; K252-D259 WeakPolarHBondContact CA-OD2 3.11Å; T253-D259 PolarHBondContact N-OD2 2.63Å; L254-D259 WeakPolarHBondContact CB-OD2 3.16Å; L254-D259 PolarHBondContact N-OD2 3.27Å; L254-D259 WeakPolarHBondContact O-CB 3.28Å; Y256-D259 PolarHBondContact O-N 3.15Å; D257-D259 VanDerWaalsContact C-N 3.26Å; D257-D259 PolarHBondContact O-N 3.25Å
260V93.1Very high86.2Confident0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-113-27.9-175.3-560000113.5F26 A27 P30 P255 Y256 I340F26-V260 CarbonylContact C-O 3.6Å; F26-V260 WeakPolarHBondContact CA-O 3.4Å; F26-V260 HydrophobicContact CD1-CG2 4.37Å; A27-V260 PolarHBondContact N-O 3.22Å; P30-V260 HydrophobicContact CB-CG1 4.24Å; P30-V260 HydrophobicContact CG-CG1 4.25Å; P255-V260 WeakPolarHBondContact O-CG2 3.41Å; Y256-V260 WeakPolarHBondContact O-CG2 3.29Å; Y256-V260 PolarHBondContact O-N 3.39Å; V260-I340 HydrophobicContact CB-CD1 3.91Å; V260-I340 HydrophobicContact CB-CG2 4.49Å; V260-I340 HydrophobicContact CG1-CD1 4.15Å; V260-I340 HydrophobicContact CG1-CG2 3.79Å; V260-I340 HydrophobicContact CG2-CD1 3.67Å
261K93.5Very high85.5Confident65 Ų6514.2 Ų14.228%0.2839%0.086SC..BIsolated β-bridgetrans-81.3124178.1-167177.1178.8169.10110.4M1 Q23 G25 F26 D257M1-K261 PolarHBondContact N-O 3.37Å; M1-K261 VanDerWaalsContact N-O 3.1Å; Q23-K261 WeakPolarHBondContact O-CE 3.34Å; Q23-K261 PolarHBondContact O-NZ 2.88Å; G25-K261 WeakPolarHBondContact O-CA 3.47Å; F26-K261 HydrophobicContact CD1-CB 4.26Å; F26-K261 HydrophobicContact CD1-CG 4.43Å; F26-K261 HydrophobicContact CE1-CB 4.16Å; F26-K261 HydrophobicContact CE1-CG 4.12Å; D257-K261 HydrophobicContact CB-CB 4.19Å; D257-K261 WeakPolarHBondContact O-CA 3.25Å; D257-K261 WeakPolarHBondContact O-CB 3.13Å; D257-K261 PolarHBondContact O-N 3.36Å
262V94Very high84.6Confident7 Ų714.5 Ų14.54%0.0428%0.083CC..  trans-122.4149.6-176.1-65.60000110.5G25 A27G25-V262 PolarHBondContact O-N 3.45Å; A27-V262 HydrophobicContact CB-CG1 4.3Å
263P92.9Very high83.1Confident16 Ų1617.9 Ų17.910%0.10412%0.117CC..  trans-58.5141168.526.7-34.1000109.2M5 Y235 T236 F265M5-P263 HydrophobicContact CG-CB 3.96Å; M5-P263 HydrophobicContact SD-CB 4.12Å; Y235-P263 HydrophobicContact CE1-CB 4.12Å; Y235-P263 HydrophobicContact CE1-CG 3.93Å; T236-P263 VanDerWaalsContact CA-O 3.24Å; T236-P263 WeakPolarHBondContact CA-O 3.23Å; T236-P263 WeakPolarHBondContact CB-O 3.46Å; T236-P263 PolarHBondContact OG1-O 3.44Å; P263-F265 HydrophobicContact CB-CD2 4.13Å; P263-F265 HydrophobicContact CB-CE2 3.74Å
264F94.4Very high81.5Confident1 Ų119.7 Ų19.70%0.00413%0.128CC..  trans-145.4103.3179-154.1-60000109.5F22 M234 Y235 V286 I291 F312F22-F264 HydrophobicContact CB-CB 4.23Å; F22-F264 AromaticContact CD2-CD1 3.73Å; F22-F264 HydrophobicContact CD2-CD1 3.73Å; F22-F264 HydrophobicContact CD2-CE1 4.32Å; F22-F264 HydrophobicContact CE2-CD1 4.29Å; F22-F264 HydrophobicContact CE2-CE1 4.48Å; F22-F264 HydrophobicContact CG-CD1 4.47Å; F22-F264 PolarHBondContact N-O 2.95Å; M234-F264 HydrophobicContact CE-CE1 4.37Å; M234-F264 HydrophobicContact CE-CZ 4.41Å; Y235-F264 WeakPolarHBondContact O-CA 3.27Å; F264-V286 HydrophobicContact CB-CG2 4.21Å; F264-V286 HydrophobicContact CD1-CG2 3.85Å; F264-V286 HydrophobicContact CD2-CG2 3.72Å; F264-V286 HydrophobicContact CE1-CG2 4.1Å; F264-V286 HydrophobicContact CE2-CG2 3.98Å; F264-V286 HydrophobicContact CG-CG2 3.65Å; F264-V286 HydrophobicContact CZ-CG2 4.16Å; F264-I291 HydrophobicContact CE2-CD1 4.13Å; F264-I291 HydrophobicContact CE2-CG1 4.08Å; F264-I291 HydrophobicContact CZ-CD1 4.22Å; F264-I291 HydrophobicContact CZ-CG1 3.73Å; F264-F312 HydrophobicContact CE1-CD1 4.41Å; F264-F312 AromaticContact CE1-CE1 3.6Å; F264-F312 HydrophobicContact CE1-CE1 3.6Å; F264-F312 HydrophobicContact CE1-CE2 4.41Å; F264-F312 AromaticContact CE1-CZ 3.6Å; F264-F312 HydrophobicContact CE1-CZ 3.6Å; F264-F312 HydrophobicContact CZ-CD1 4.46Å; F264-F312 AromaticContact CZ-CE1 3.64Å; F264-F312 HydrophobicContact CZ-CE1 3.64Å; F264-F312 HydrophobicContact CZ-CZ 4.06Å
265F93.4Very high79.9Confident2 Ų229.6 Ų29.61%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-122.5144.6-174.8-65.2-100.7000110.5M5 L12 F15 A20 E21 M234 Y235 P263 L279M5-F265 HydrophobicContact CE-CD2 4.27Å; M5-F265 HydrophobicContact CE-CE2 3.86Å; M5-F265 HydrophobicContact CE-CZ 4.08Å; M5-F265 HydrophobicContact CG-CE2 3.8Å; M5-F265 HydrophobicContact CG-CZ 4.09Å; M5-F265 HydrophobicContact SD-CE2 4.05Å; L12-F265 HydrophobicContact CD1-CE1 3.75Å; L12-F265 HydrophobicContact CD1-CZ 3.99Å; F15-F265 HydrophobicContact CB-CD1 4.01Å; F15-F265 HydrophobicContact CD1-CB 3.75Å; F15-F265 HydrophobicContact CD1-CD1 4.47Å; F15-F265 HydrophobicContact CD2-CB 3.85Å; F15-F265 HydrophobicContact CD2-CD1 4Å; F15-F265 HydrophobicContact CD2-CG 4.03Å; F15-F265 HydrophobicContact CE1-CB 3.57Å; F15-F265 HydrophobicContact CE2-CB 3.67Å; F15-F265 HydrophobicContact CE2-CG 4.17Å; F15-F265 HydrophobicContact CG-CB 3.88Å; F15-F265 AromaticContact CG-CD1 3.92Å; F15-F265 HydrophobicContact CG-CD1 3.92Å; F15-F265 HydrophobicContact CG-CG 4.21Å; F15-F265 HydrophobicContact CZ-CB 3.51Å; F15-F265 HydrophobicContact CZ-CG 4.48Å; A20-F265 WeakPolarHBondContact O-CA 3.43Å; E21-F265 HydrophobicContact CB-CD1 3.83Å; E21-F265 HydrophobicContact CB-CE1 3.58Å; E21-F265 HydrophobicContact CB-CZ 4.26Å; E21-F265 HydrophobicContact CG-CD1 4.15Å; E21-F265 HydrophobicContact CG-CE1 3.59Å; E21-F265 HydrophobicContact CG-CE2 4.42Å; E21-F265 HydrophobicContact CG-CZ 3.73Å; M234-F265 CarbonylContact C-O 3.52Å; M234-F265 WeakPolarHBondContact CA-O 3.44Å; Y235-F265 HydrophobicContact CD1-CD2 4.06Å; Y235-F265 PolarHBondContact N-O 2.89Å; Y235-F265 PolarHBondContact O-N 3.19Å; P263-F265 HydrophobicContact CB-CD2 4.13Å; P263-F265 HydrophobicContact CB-CE2 3.74Å; F265-L279 HydrophobicContact CD1-CD1 4.45Å; F265-L279 HydrophobicContact CE1-CD2 4.19Å
266A92.3Very high78.5Confident0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-136.8143.6174.200000110.6G19 A20 F233 M234 F312 L316G19-A266 CarbonylContact C-O 3.48Å; G19-A266 WeakPolarHBondContact CA-O 3.07Å; A20-A266 PolarHBondContact N-O 3.19Å; A20-A266 PolarHBondContact O-N 3.01Å; F233-A266 CarbonylContact O-C 3.55Å; F233-A266 VanDerWaalsContact O-CA 3.29Å; F233-A266 WeakPolarHBondContact O-CA 3.42Å; M234-A266 HydrophobicContact CG-CB 4.31Å; A266-F312 HydrophobicContact CB-CE2 4.28Å; A266-L316 HydrophobicContact CB-CD1 3.79Å; A266-L316 HydrophobicContact CB-CD2 4.43Å
267R89Confident77.3Confident11 Ų1137.5 Ų37.54%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-139.4151.2174.3167.3170178119.617.6108.5I14 F15 E17 E18 L226 Y232 F233I14-R267 WeakPolarHBondContact O-CD 3.3Å; I14-R267 PolarHBondContact O-NH1 2.96Å; F15-R267 HydrophobicContact CD1-CB 3.87Å; F15-R267 HydrophobicContact CE1-CB 3.94Å; E17-R267 PolarHBondContact O-NH1 3.26Å; E18-R267 WeakPolarHBondContact O-CG 3.38Å; E18-R267 IonicContact OE2-CZ 3.38Å; E18-R267 IonicContact OE2-NH1 3.54Å; E18-R267 IonicContact OE2-NH2 2.91Å; E18-R267 PolarHBondContact OE2-NH2 2.98Å; L226-R267 PolarHBondContact O-NE 3.09Å; Y232-R267 CarbonylContact C-O 3.53Å; Y232-R267 WeakPolarHBondContact CA-O 3.36Å; F233-R267 HydrophobicContact CB-CB 4.36Å; F233-R267 PolarHBondContact N-O 3.44Å; F233-R267 PolarHBondContact O-N 3.36Å
268G84.1Confident76.6Confident8 Ų842.2 Ų42.28%0.08223%0.233CC..  trans169.3165.7179.500000114.2T231 A270 F271T231-G268 WeakPolarHBondContact O-CA 3.27Å; G268-A270 VanDerWaalsContact C-N 3.29Å; G268-A270 PolarHBondContact O-N 3.12Å; G268-F271 VanDerWaalsContact N-CD2 3.3Å; G268-F271 WeakPolarHBondContact O-CD2 3.12Å; G268-F271 PolarHBondContact O-N 2.74Å
269P75.2Confident76.5Confident39 Ų3943.6 Ų43.625%0.25324%0.241SC..THydrogen-bonded Turntrans-69-24.7-170.125.2-34.2000114.3N229 T231 Y232 F271 F600N229-P269 WeakPolarHBondContact O-CB 3.06Å; N229-P269 WeakPolarHBondContact O-CG 3.48Å; T231-P269 WeakPolarHBondContact O-CD 3.37Å; Y232-P269 HydrophobicContact CE1-CG 4.48Å; P269-F271 PolarHBondContact O-N 3.21Å; P269-F600 HydrophobicContact CB-CE1 4.37Å; P269-F600 HydrophobicContact CG-CD1 3.78Å; P269-F600 HydrophobicContact CG-CE1 3.44Å; P269-F600 VanDerWaalsContact CG-CE1 3.44Å; P269-F600 HydrophobicContact CG-CZ 4.45Å
270A59.6Low76.5Confident44 Ų4444 Ų4436%0.36424%0.243SC..THydrogen-bonded Turntrans-71.6-8.9179.400000113.8Y232 G268 I317Y232-A270 HydrophobicContact CE1-CB 4.19Å; Y232-A270 WeakPolarHBondContact OH-CB 3.46Å; G268-A270 VanDerWaalsContact C-N 3.29Å; G268-A270 PolarHBondContact O-N 3.12Å; A270-I317 HydrophobicContact CB-CD1 4.4Å; A270-I317 HydrophobicContact CB-CG1 4.29Å
271F60.8Low76.3Confident3 Ų346.5 Ų46.51%0.01326%0.264CS..SBendtrans-104-20-169.1-46.5-52000113.9Y232 G268 P269 M298 L313 L316 I317 S320Y232-F271 AromaticContact CD1-CE2 3.83Å; Y232-F271 HydrophobicContact CD1-CE2 3.83Å; Y232-F271 HydrophobicContact CD1-CZ 4.06Å; Y232-F271 AromaticContact CE1-CE2 3.83Å; Y232-F271 HydrophobicContact CE1-CE2 3.83Å; Y232-F271 AromaticContact CE1-CZ 3.76Å; Y232-F271 HydrophobicContact CE1-CZ 3.76Å; G268-F271 VanDerWaalsContact N-CD2 3.3Å; G268-F271 WeakPolarHBondContact O-CD2 3.12Å; G268-F271 PolarHBondContact O-N 2.74Å; P269-F271 PolarHBondContact O-N 3.21Å; F271-M298 HydrophobicContact CZ-CE 4.27Å; F271-L313 HydrophobicContact CE1-CD1 3.67Å; F271-L313 HydrophobicContact CZ-CD1 3.59Å; F271-L316 HydrophobicContact CD1-CB 3.65Å; F271-L316 HydrophobicContact CE1-CB 3.29Å; F271-L316 HydrophobicContact CE1-CD1 3.74Å; F271-L316 HydrophobicContact CE1-CG 4.13Å; F271-L316 HydrophobicContact CE2-CD1 4.08Å; F271-L316 HydrophobicContact CZ-CB 3.99Å; F271-L316 HydrophobicContact CZ-CD1 3.49Å; F271-L316 VanDerWaalsContact CZ-CD1 3.49Å; F271-L316 HydrophobicContact CZ-CG 4.36Å; F271-I317 HydrophobicContact CD1-CG1 4.24Å; F271-I317 HydrophobicContact CE1-CG1 4.04Å; F271-S320 WeakPolarHBondContact O-CB 3.08Å; F271-S320 PolarHBondContact O-OG 3.35Å
272F57.3Low76.2Confident20 Ų2043.5 Ų43.59%0.08825%0.251CS..  trans-147.284.4-173.2-59.4-80.7000111.2E18 G19 T274 L280E18-F272 VanDerWaalsContact CA-CE2 3.45Å; E18-F272 HydrophobicContact CB-CB 3.88Å; E18-F272 HydrophobicContact CB-CD2 3.49Å; E18-F272 VanDerWaalsContact CB-CD2 3.49Å; E18-F272 HydrophobicContact CB-CE2 4.19Å; E18-F272 HydrophobicContact CB-CG 3.69Å; E18-F272 HydrophobicContact CG-CB 3.76Å; E18-F272 HydrophobicContact CG-CD2 4.28Å; E18-F272 HydrophobicContact CG-CG 3.96Å; E18-F272 WeakPolarHBondContact O-CD2 3.46Å; E18-F272 WeakPolarHBondContact O-CE2 3.31Å; G19-F272 WeakPolarHBondContact O-CZ 3.33Å; F272-T274 PolarHBondContact O-N 3.46Å; F272-L280 HydrophobicContact CZ-CB 4.23Å
273A52.4Low76.1Confident100 Ų10046.3 Ų46.383%0.82627%0.265SS*.SBendtrans-79.5-1164.400000112.3
274T52.3Low76.1Confident69 Ų6947.7 Ų47.742%0.42327%0.269SS..SBendtrans-144.8124.3-176.442.10000108.5F272 S276 L324F272-T274 PolarHBondContact O-N 3.46Å; T274-S276 PolarHBondContact O-N 3.35Å; T274-L324 VanDerWaalsContact OG1-CD2 3.26Å; T274-L324 WeakPolarHBondContact OG1-CD2 3.44Å
275Y53.9Low76.1Confident213 Ų21347.6 Ų47.684%0.83527%0.269SS*.  trans-40.567.5-179.8-58.8-87.5000115.7L277Y275-L277 PolarHBondContact O-N 3.41Å; Y275-L277 VanDerWaalsContact O-N 3.15Å
276S57.6Low76.2Confident22 Ų2247.5 Ų47.515%0.15427%0.269CS..  trans-77.7102.5168.5178.50000107.3T274 I278T274-S276 PolarHBondContact O-N 3.35Å; S276-I278 PolarHBondContact O-N 3.37Å; S276-I278 PolarHBondContact OG-O 3.43Å; S276-I278 VanDerWaalsContact OG-O 3.12Å
277L62.9Low76.4Confident144 Ų14447.5 Ų47.575%0.75427%0.269SS*.  trans-67.47.7174.5-66.3171.2000113.5Y275Y275-L277 PolarHBondContact O-N 3.41Å; Y275-L277 VanDerWaalsContact O-N 3.15Å
278I75.5Confident76.8Confident115 Ų11547 Ų4759%0.5927%0.267SS*.SBendtrans-131124.9-172.6-51.8176.1000109.7S276 L280 K323S276-I278 PolarHBondContact O-N 3.37Å; S276-I278 PolarHBondContact OG-O 3.43Å; S276-I278 VanDerWaalsContact OG-O 3.12Å; I278-L280 PolarHBondContact O-N 2.84Å; I278-K323 PolarHBondContact O-NZ 3.03Å
279L83.2Confident77.5Confident37 Ų3746.6 Ų46.619%0.19426%0.263CS..  trans-44.1127.2166.5-179.262.1000111.6F15 S16 E21 F265 A281 K323F15-L279 HydrophobicContact CB-CD1 4.03Å; F15-L279 WeakPolarHBondContact O-CD1 3.36Å; S16-L279 PolarHBondContact O-N 3.01Å; E21-L279 HydrophobicContact CB-CD1 4.09Å; E21-L279 HydrophobicContact CB-CD2 3.98Å; E21-L279 HydrophobicContact CB-CG 4.1Å; F265-L279 HydrophobicContact CD1-CD1 4.45Å; F265-L279 HydrophobicContact CE1-CD2 4.19Å; L279-A281 PolarHBondContact O-N 2.62Å; L279-K323 PolarHBondContact O-NZ 3.01Å
280L88.3Confident78.5Confident8 Ų844.8 Ų44.84%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-80.1112.4175.4172.464.6000109.7G19 A20 E21 F272 I278 I282 E319 K323G19-L280 PolarHBondContact O-N 2.86Å; A20-L280 CarbonylContact C-O 3.5Å; A20-L280 WeakPolarHBondContact CA-O 3.32Å; A20-L280 HydrophobicContact CB-CB 4.07Å; A20-L280 HydrophobicContact CB-CD2 4.23Å; A20-L280 HydrophobicContact CB-CG 4.34Å; E21-L280 PolarHBondContact N-O 3.49Å; F272-L280 HydrophobicContact CZ-CB 4.23Å; I278-L280 PolarHBondContact O-N 2.84Å; L280-I282 HydrophobicContact CD2-CD1 4.05Å; L280-I282 HydrophobicContact CD2-CG1 4.24Å; L280-I282 HydrophobicContact CG-CD1 4.26Å; L280-I282 HydrophobicContact CG-CG1 3.94Å; L280-E319 HydrophobicContact CD1-CB 4.45Å; L280-E319 HydrophobicContact CD2-CB 3.91Å; L280-K323 HydrophobicContact CB-CD 4.32Å; L280-K323 HydrophobicContact CD1-CB 4.04Å; L280-K323 HydrophobicContact CD1-CD 3.49Å; L280-K323 VanDerWaalsContact CD1-CD 3.49Å; L280-K323 HydrophobicContact CD1-CG 4.36Å; L280-K323 HydrophobicContact CG-CD 4.47Å
281A90.4Very high80.3Confident53 Ų5342.7 Ų42.744%0.43823%0.234SC..EExtended strand (participates in β ladder)trans-87.2124.6174.300000110.3Q23 L279Q23-A281 HydrophobicContact CG-CB 4.27Å; L279-A281 PolarHBondContact O-N 2.62Å
282I91.6Very high82.1Confident1 Ų142.5 Ų42.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-116.4122.6-179.7-58.6175.9000108.9A20 E21 F22 Q23 L280 K284 L315 L316 E319A20-I282 HydrophobicContact CB-CD1 4.13Å; E21-I282 PolarHBondContact O-N 3.44Å; F22-I282 WeakPolarHBondContact CA-O 3.27Å; F22-I282 HydrophobicContact CD1-CB 3.88Å; F22-I282 HydrophobicContact CD1-CD1 4.41Å; F22-I282 HydrophobicContact CD1-CG2 3.74Å; F22-I282 HydrophobicContact CE1-CB 4.16Å; F22-I282 HydrophobicContact CE1-CD1 3.93Å; F22-I282 HydrophobicContact CE1-CG2 3.82Å; F22-I282 HydrophobicContact CZ-CD1 4.14Å; Q23-I282 PolarHBondContact N-O 3.29Å; L280-I282 HydrophobicContact CD2-CD1 4.05Å; L280-I282 HydrophobicContact CD2-CG1 4.24Å; L280-I282 HydrophobicContact CG-CD1 4.26Å; L280-I282 HydrophobicContact CG-CG1 3.94Å; I282-K284 HydrophobicContact CG2-CB 3.98Å; I282-K284 HydrophobicContact CG2-CG 4.36Å; I282-L315 HydrophobicContact CG2-CD2 4.35Å; I282-L316 HydrophobicContact CD1-CD2 3.6Å; I282-E319 HydrophobicContact CD1-CB 3.91Å; I282-E319 HydrophobicContact CD1-CG 4.01Å; I282-E319 HydrophobicContact CG1-CB 4.07Å; I282-E319 HydrophobicContact CG1-CG 4.07Å; I282-E319 HydrophobicContact CG2-CG 4.18Å
283L91.7Very high84Confident67 Ų6741.6 Ų41.635%0.35123%0.229SC..  trans-79.1-28.2-178.2-176.360.8000112.9S24 V530 E532S24-L283 PolarHBondContact OG-O 3.07Å; L283-V530 HydrophobicContact CD1-CG1 3.92Å; L283-V530 HydrophobicContact CG-CG1 4.43Å; L283-E532 HydrophobicContact CD2-CG 4.23Å
284K92Very high86.1Confident44 Ų4436.8 Ų36.819%0.19119%0.189CC..SBendtrans-57129.5-176.3-64.4-59.8-172.4-1750110.9I282 L315 W334 H336I282-K284 HydrophobicContact CG2-CB 3.98Å; I282-K284 HydrophobicContact CG2-CG 4.36Å; K284-L315 HydrophobicContact CB-CD2 3.82Å; K284-L315 HydrophobicContact CG-CD1 4.09Å; K284-L315 HydrophobicContact CG-CD2 4.3Å; K284-W334 HydrophobicContact CB-CG 4.31Å; K284-W334 HydrophobicContact CD-CB 4.36Å; K284-H336 PolarHBondContact NZ-NE2 3.05Å
285P94.3Very high88.2Confident0 Ų033.5 Ų33.50%017%0.169CC..  trans-73.6137.6-17429.4-35.4000112.1S24 F26 W334 R335 V338 V530S24-P285 VanDerWaalsContact O-CA 3.3Å; S24-P285 WeakPolarHBondContact O-CA 3.45Å; F26-P285 HydrophobicContact CD2-CB 4.33Å; F26-P285 HydrophobicContact CE2-CB 4.01Å; P285-W334 PolarHBondContact O-NE1 3.16Å; P285-R335 VanDerWaalsContact CD-O 3.29Å; P285-R335 WeakPolarHBondContact CD-O 3.38Å; P285-R335 HydrophobicContact CG-CG 4.46Å; P285-R335 VanDerWaalsContact CG-O 3.29Å; P285-R335 WeakPolarHBondContact CG-O 3.36Å; P285-V338 HydrophobicContact CB-CG2 4.09Å; P285-V530 WeakPolarHBondContact CD-O 3.25Å
286V96.3Very high90.3Very high0 Ų023.4 Ų23.40%013%0.129CC..EExtended strand (participates in β ladder)trans-124.9152.7174.9-63.80000110F22 S24 G25 F26 F264 F312 W334F22-V286 HydrophobicContact CB-CG2 3.61Å; F22-V286 HydrophobicContact CD1-CB 4.37Å; F22-V286 HydrophobicContact CD1-CG1 3.44Å; F22-V286 VanDerWaalsContact CD1-CG1 3.44Å; F22-V286 HydrophobicContact CD1-CG2 3.98Å; F22-V286 HydrophobicContact CD2-CG2 4.13Å; F22-V286 HydrophobicContact CE1-CG1 3.51Å; F22-V286 HydrophobicContact CG-CB 4.48Å; F22-V286 HydrophobicContact CG-CG1 3.97Å; F22-V286 HydrophobicContact CG-CG2 3.65Å; F22-V286 HydrophobicContact CZ-CG1 4.08Å; S24-V286 PolarHBondContact O-N 3.09Å; G25-V286 WeakPolarHBondContact CA-O 3.27Å; F26-V286 PolarHBondContact N-O 3.09Å; F264-V286 HydrophobicContact CB-CG2 4.21Å; F264-V286 HydrophobicContact CD1-CG2 3.85Å; F264-V286 HydrophobicContact CD2-CG2 3.72Å; F264-V286 HydrophobicContact CE1-CG2 4.1Å; F264-V286 HydrophobicContact CE2-CG2 3.98Å; F264-V286 HydrophobicContact CG-CG2 3.65Å; F264-V286 HydrophobicContact CZ-CG2 4.16Å; V286-F312 HydrophobicContact CG1-CB 4.28Å; V286-F312 HydrophobicContact CG1-CD1 4.43Å; V286-F312 HydrophobicContact CG1-CG 4.49Å; V286-W334 HydrophobicContact CG1-CZ2 4.15Å
287A97Very high92Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-124158.4-179.200000112F26 T28 I289 D290 V338F26-A287 CarbonylContact O-C 3.57Å; F26-A287 VanDerWaalsContact O-CA 3.25Å; F26-A287 WeakPolarHBondContact O-CA 3.33Å; T28-A287 HydrophobicContact CG2-CB 4Å; A287-I289 HydrophobicContact CB-CG1 3.75Å; A287-I289 PolarHBondContact O-N 3.02Å; A287-I289 VanDerWaalsContact O-N 3.16Å; A287-D290 PolarHBondContact N-OD2 2.9Å; A287-D290 VanDerWaalsContact O-CB 3.28Å; A287-D290 WeakPolarHBondContact O-CB 3.42Å; A287-D290 PolarHBondContact O-N 3.45Å; A287-V338 HydrophobicContact CB-CG1 3.76Å; A287-V338 HydrophobicContact CB-CG2 4.39Å
288N97Very high93.4Very high0 Ų018.6 Ų18.60%010%0.103CC..G310 helixtrans-56-28.1174.767.4-19.2000113.4F26 T28 S35 M39 D290 I291F26-N288 PolarHBondContact O-N 3.23Å; T28-N288 WeakPolarHBondContact CB-OD1 3.45Å; T28-N288 WeakPolarHBondContact CG2-OD1 3.4Å; T28-N288 PolarHBondContact N-OD1 3.22Å; T28-N288 PolarHBondContact OG1-ND2 2.95Å; T28-N288 PolarHBondContact OG1-OD1 2.94Å; S35-N288 PolarHBondContact O-ND2 3.08Å; S35-N288 PolarHBondContact OG-ND2 3.28Å; M39-N288 HydrophobicContact CE-CB 4.44Å; M39-N288 HydrophobicContact CG-CB 3.73Å; N288-D290 PolarHBondContact O-N 3.22Å; N288-I291 HydrophobicContact CB-CD1 4.3Å; N288-I291 WeakPolarHBondContact O-CB 3.44Å; N288-I291 WeakPolarHBondContact O-CD1 3.13Å; N288-I291 WeakPolarHBondContact O-CG1 3.44Å; N288-I291 PolarHBondContact O-N 3.09Å
289I97.3Very high94.3Very high0 Ų014.1 Ų14.10%08%0.083CC..G310 helixtrans-66.6-19.1172.557.9161.6000113.9T28 G42 I43 Y44 A287 I291 P293 D308T28-I289 HydrophobicContact CG2-CG1 4.16Å; T28-I289 HydrophobicContact CG2-CG2 3.93Å; G42-I289 VanDerWaalsContact CA-O 3.27Å; G42-I289 WeakPolarHBondContact CA-O 3.45Å; I43-I289 WeakPolarHBondContact O-CG2 3.5Å; Y44-I289 HydrophobicContact CD1-CD1 4.26Å; Y44-I289 HydrophobicContact CD1-CG2 4.45Å; Y44-I289 HydrophobicContact CD2-CD1 3.84Å; Y44-I289 HydrophobicContact CE1-CD1 3.75Å; Y44-I289 HydrophobicContact CE2-CD1 3.26Å; Y44-I289 HydrophobicContact CG-CD1 4.29Å; Y44-I289 WeakPolarHBondContact OH-CD1 3.45Å; A287-I289 HydrophobicContact CB-CG1 3.75Å; A287-I289 PolarHBondContact O-N 3.02Å; A287-I289 VanDerWaalsContact O-N 3.16Å; I289-I291 VanDerWaalsContact C-N 3.25Å; I289-I291 PolarHBondContact O-N 2.71Å; I289-P293 WeakPolarHBondContact O-CD 3.46Å; I289-D308 HydrophobicContact CD1-CB 4.42Å
290D97.4Very high94.7Very high0 Ų013.9 Ų13.90%09%0.09CC..G310 helixtrans-80.7-9.1179.6-59.4-38.5000111.9A287 N288 P293 T294 G309 R310 F312 R335A287-D290 PolarHBondContact N-OD2 2.9Å; A287-D290 VanDerWaalsContact O-CB 3.28Å; A287-D290 WeakPolarHBondContact O-CB 3.42Å; A287-D290 PolarHBondContact O-N 3.45Å; N288-D290 PolarHBondContact O-N 3.22Å; D290-P293 WeakPolarHBondContact O-CG 3.4Å; D290-T294 VanDerWaalsContact O-CB 3.23Å; D290-T294 WeakPolarHBondContact O-CB 3.45Å; D290-T294 PolarHBondContact O-N 3.49Å; D290-T294 VanDerWaalsContact O-N 3.15Å; D290-T294 PolarHBondContact O-OG1 3.19Å; D290-G309 VanDerWaalsContact OD1-CA 3.27Å; D290-G309 WeakPolarHBondContact OD1-CA 3.23Å; D290-R310 VanDerWaalsContact CB-O 3.28Å; D290-R310 WeakPolarHBondContact CB-O 3.44Å; D290-R310 PolarHBondContact OD1-N 2.95Å; D290-F312 HydrophobicContact CB-CD1 3.97Å; D290-F312 HydrophobicContact CB-CE1 4.42Å; D290-R335 VanDerWaalsContact CG-NH1 3.32Å; D290-R335 IonicContact OD1-CZ 3.44Å; D290-R335 VanDerWaalsContact OD1-CZ 3.24Å; D290-R335 IonicContact OD1-NH1 3.49Å; D290-R335 PolarHBondContact OD1-NH1 3.49Å; D290-R335 IonicContact OD1-NH2 3.85Å; D290-R335 PolarHBondContact OD1-NH2 3.27Å; D290-R335 IonicContact OD2-CZ 3.94Å; D290-R335 IonicContact OD2-NH1 3.87Å; D290-R335 PolarHBondContact OD2-NH1 2.92Å; D290-R335 IonicContact OD2-NH2 3.74Å
291I97.7Very high95Very high0 Ų015.6 Ų15.60%010%0.098CC..Hα-helixtrans-68.9-54.6-176.9-66.5167.5000111.4M39 M234 T236 F264 N288 I289 T294 I295 F604M39-I291 HydrophobicContact CG-CD1 3.91Å; M39-I291 HydrophobicContact SD-CD1 3.83Å; M234-I291 HydrophobicContact CE-CB 4.18Å; M234-I291 HydrophobicContact CE-CG1 3.85Å; M234-I291 HydrophobicContact CE-CG2 3.85Å; T236-I291 HydrophobicContact CG2-CD1 3.79Å; F264-I291 HydrophobicContact CE2-CD1 4.13Å; F264-I291 HydrophobicContact CE2-CG1 4.08Å; F264-I291 HydrophobicContact CZ-CD1 4.22Å; F264-I291 HydrophobicContact CZ-CG1 3.73Å; N288-I291 HydrophobicContact CB-CD1 4.3Å; N288-I291 WeakPolarHBondContact O-CB 3.44Å; N288-I291 WeakPolarHBondContact O-CD1 3.13Å; N288-I291 WeakPolarHBondContact O-CG1 3.44Å; N288-I291 PolarHBondContact O-N 3.09Å; I289-I291 VanDerWaalsContact C-N 3.25Å; I289-I291 PolarHBondContact O-N 2.71Å; I291-T294 PolarHBondContact O-N 2.95Å; I291-I295 HydrophobicContact CG2-CD1 3.71Å; I291-I295 HydrophobicContact CG2-CG1 4.38Å; I291-I295 WeakPolarHBondContact O-CG1 3.38Å; I291-I295 PolarHBondContact O-N 2.88Å; I291-F604 HydrophobicContact CD1-CE2 3.83Å; I291-F604 HydrophobicContact CD1-CZ 3.81Å; I291-F604 HydrophobicContact CG1-CE2 4.35Å; I291-F604 HydrophobicContact CG2-CD2 4.14Å; I291-F604 HydrophobicContact CG2-CE2 3.79Å; I291-F604 HydrophobicContact CG2-CZ 4.04Å
292A97.7Very high95.3Very high0 Ų018.4 Ų18.40%011%0.112CC..Hα-helixtrans-53.1-55.8178.100000112.9M39 F71 T294 I295 L296 M307M39-A292 WeakPolarHBondContact O-CB 3.44Å; F71-A292 HydrophobicContact CB-CB 4.17Å; F71-A292 HydrophobicContact CD1-CB 3.9Å; A292-T294 VanDerWaalsContact C-N 3.26Å; A292-T294 PolarHBondContact O-N 2.78Å; A292-I295 PolarHBondContact O-N 3.34Å; A292-L296 WeakPolarHBondContact O-CG 3.43Å; A292-L296 PolarHBondContact O-N 3.06Å; A292-L296 VanDerWaalsContact O-N 3.1Å; A292-M307 HydrophobicContact CB-CE 4.2Å; A292-M307 HydrophobicContact CB-SD 4.13Å
293P97.2Very high95.5Very high0 Ų021.1 Ų21.10%013%0.129CC..Hα-helixtrans-63.2-32.3179.625.4-35000112.4I289 D290 L296 D297 V303 M307I289-P293 WeakPolarHBondContact O-CD 3.46Å; D290-P293 WeakPolarHBondContact O-CG 3.4Å; P293-L296 PolarHBondContact O-N 3.06Å; P293-D297 WeakPolarHBondContact O-CB 2.89Å; P293-D297 PolarHBondContact O-N 3.46Å; P293-V303 HydrophobicContact CB-CB 4.4Å; P293-V303 HydrophobicContact CB-CG1 3.54Å; P293-V303 HydrophobicContact CB-CG2 3.89Å; P293-V303 WeakPolarHBondContact O-CG2 3.34Å; P293-M307 HydrophobicContact CB-SD 4.25Å
294T96.3Very high95.7Very high0 Ų019 Ų190%012%0.119CC..Hα-helixtrans-68-40.8175.2-57.80000112.6M234 D290 I291 A292 L296 D297 M298 S311 F312 L313M234-T294 HydrophobicContact SD-CG2 4.43Å; D290-T294 VanDerWaalsContact O-CB 3.23Å; D290-T294 WeakPolarHBondContact O-CB 3.45Å; D290-T294 PolarHBondContact O-N 3.49Å; D290-T294 VanDerWaalsContact O-N 3.15Å; D290-T294 PolarHBondContact O-OG1 3.19Å; I291-T294 PolarHBondContact O-N 2.95Å; A292-T294 VanDerWaalsContact C-N 3.26Å; A292-T294 PolarHBondContact O-N 2.78Å; T294-L296 VanDerWaalsContact C-N 3.32Å; T294-L296 PolarHBondContact O-N 3.32Å; T294-D297 PolarHBondContact O-N 2.81Å; T294-M298 HydrophobicContact CG2-CE 3.53Å; T294-M298 HydrophobicContact CG2-CG 4.22Å; T294-M298 HydrophobicContact CG2-SD 4Å; T294-M298 WeakPolarHBondContact O-CB 3.09Å; T294-M298 VanDerWaalsContact O-CG 3.27Å; T294-M298 WeakPolarHBondContact O-CG 2.94Å; T294-M298 PolarHBondContact O-N 3.48Å; T294-S311 WeakPolarHBondContact OG1-CA 3.46Å; T294-F312 HydrophobicContact CG2-CD1 4.24Å; T294-F312 HydrophobicContact CG2-CD2 3.97Å; T294-F312 HydrophobicContact CG2-CE1 3.9Å; T294-F312 HydrophobicContact CG2-CE2 3.63Å; T294-F312 HydrophobicContact CG2-CG 4.26Å; T294-F312 HydrophobicContact CG2-CZ 3.58Å; T294-F312 WeakPolarHBondContact OG1-CD1 3.38Å; T294-F312 WeakPolarHBondContact OG1-CE1 3.39Å; T294-F312 PolarHBondContact OG1-N 3Å; T294-L313 HydrophobicContact CG2-CB 4.41Å
295I96.9Very high95.8Very high0 Ų021.4 Ų21.40%015%0.147CC..Hα-helixtrans-62.5-42.1176.3-70.6170.8000110.4F71 L75 L161 M234 I291 A292 A299 I602F71-I295 HydrophobicContact CD1-CD1 4.36Å; F71-I295 HydrophobicContact CD2-CD1 4.13Å; F71-I295 HydrophobicContact CD2-CG2 4.09Å; F71-I295 HydrophobicContact CE1-CD1 4.15Å; F71-I295 HydrophobicContact CE2-CD1 3.97Å; F71-I295 HydrophobicContact CG-CD1 4.36Å; F71-I295 HydrophobicContact CZ-CD1 3.98Å; L75-I295 HydrophobicContact CD2-CG2 4.15Å; L75-I295 HydrophobicContact CG-CG2 4.3Å; L161-I295 HydrophobicContact CD1-CG2 4.34Å; M234-I295 HydrophobicContact SD-CG1 4.45Å; I291-I295 HydrophobicContact CG2-CD1 3.71Å; I291-I295 HydrophobicContact CG2-CG1 4.38Å; I291-I295 WeakPolarHBondContact O-CG1 3.38Å; I291-I295 PolarHBondContact O-N 2.88Å; A292-I295 PolarHBondContact O-N 3.34Å; I295-A299 WeakPolarHBondContact O-CB 3.01Å; I295-A299 PolarHBondContact O-N 3.23Å; I295-A299 VanDerWaalsContact O-N 3.08Å; I295-I602 HydrophobicContact CG1-CG2 4.35Å; I295-I602 HydrophobicContact CG2-CD1 4.12Å; I295-I602 HydrophobicContact CG2-CG2 4.42Å
296L96.9Very high95.8Very high0 Ų023.9 Ų23.90%016%0.159CC..Hα-helixtrans-61.7-47.5175.3-62.9-173.6000111.6F71 Y74 L75 A292 P293 T294 A299 G300 L301 V303 P304 M307F71-L296 HydrophobicContact CB-CD2 4.2Å; Y74-L296 HydrophobicContact CD2-CD1 4.42Å; Y74-L296 HydrophobicContact CD2-CD2 4.45Å; Y74-L296 HydrophobicContact CG-CD2 4.22Å; L75-L296 HydrophobicContact CD2-CD2 3.35Å; A292-L296 WeakPolarHBondContact O-CG 3.43Å; A292-L296 PolarHBondContact O-N 3.06Å; A292-L296 VanDerWaalsContact O-N 3.1Å; P293-L296 PolarHBondContact O-N 3.06Å; T294-L296 VanDerWaalsContact C-N 3.32Å; T294-L296 PolarHBondContact O-N 3.32Å; L296-A299 CarbonylContact O-C 3.52Å; L296-A299 WeakPolarHBondContact O-CA 3.4Å; L296-A299 WeakPolarHBondContact O-CB 3.34Å; L296-A299 PolarHBondContact O-N 3.14Å; L296-A299 VanDerWaalsContact O-N 3.11Å; L296-G300 PolarHBondContact O-N 2.91Å; L296-G300 VanDerWaalsContact O-N 3.16Å; L296-L301 HydrophobicContact CB-CB 4.33Å; L296-L301 HydrophobicContact CD2-CD1 4.23Å; L296-L301 PolarHBondContact O-N 2.95Å; L296-V303 HydrophobicContact CB-CG2 4.34Å; L296-P304 HydrophobicContact CD1-CG 4.18Å; L296-M307 HydrophobicContact CD1-CE 3.66Å; L296-M307 HydrophobicContact CD1-SD 3.89Å
297D94Very high95.8Very high59 Ų5924 Ų2432%0.31616%0.159SC..Hα-helixtrans-64.2-43179.8-172.121.3000112.1P293 T294 A299 G300 S311 L313P293-D297 WeakPolarHBondContact O-CB 2.89Å; P293-D297 PolarHBondContact O-N 3.46Å; T294-D297 PolarHBondContact O-N 2.81Å; D297-A299 PolarHBondContact O-N 2.91Å; D297-G300 WeakPolarHBondContact O-CA 3.49Å; D297-G300 PolarHBondContact O-N 3.04Å; D297-S311 VanDerWaalsContact CB-OG 3.31Å; D297-S311 WeakPolarHBondContact CB-OG 3.46Å; D297-S311 WeakPolarHBondContact OD2-CB 2.96Å; D297-S311 PolarHBondContact OD2-OG 3.13Å; D297-L313 HydrophobicContact CB-CD2 4.45Å; D297-L313 WeakPolarHBondContact OD2-CB 3.33Å
298M93.4Very high95.8Very high7 Ų724 Ų243%0.03416%0.159CC..Hα-helixtrans-59.8-31.1172.7-75.3175.9176.900112.9Y232 M234 F271 T294 G300 F312 L313 I602Y232-M298 HydrophobicContact CD1-CE 3.95Å; Y232-M298 HydrophobicContact CD1-CG 4.25Å; Y232-M298 HydrophobicContact CD1-SD 3.89Å; Y232-M298 HydrophobicContact CD2-CB 4.09Å; Y232-M298 HydrophobicContact CD2-CG 4.26Å; Y232-M298 HydrophobicContact CD2-SD 4.3Å; Y232-M298 HydrophobicContact CE1-CG 4.41Å; Y232-M298 HydrophobicContact CE2-CB 4.22Å; Y232-M298 HydrophobicContact CE2-CG 4.39Å; Y232-M298 HydrophobicContact CG-CB 4.46Å; Y232-M298 HydrophobicContact CG-CE 4.39Å; Y232-M298 HydrophobicContact CG-CG 4.19Å; Y232-M298 HydrophobicContact CG-SD 3.74Å; M234-M298 HydrophobicContact SD-CE 4.27Å; M234-M298 HydrophobicContact SD-SD 4.3Å; F271-M298 HydrophobicContact CZ-CE 4.27Å; T294-M298 HydrophobicContact CG2-CE 3.53Å; T294-M298 HydrophobicContact CG2-CG 4.22Å; T294-M298 HydrophobicContact CG2-SD 4Å; T294-M298 WeakPolarHBondContact O-CB 3.09Å; T294-M298 VanDerWaalsContact O-CG 3.27Å; T294-M298 WeakPolarHBondContact O-CG 2.94Å; T294-M298 PolarHBondContact O-N 3.48Å; M298-G300 VanDerWaalsContact C-N 3.28Å; M298-F312 HydrophobicContact CE-CE2 4.42Å; M298-L313 HydrophobicContact CE-CD1 4.08Å; M298-L313 HydrophobicContact CG-CD1 4.03Å; M298-L313 HydrophobicContact CG-CD2 3.98Å; M298-L313 HydrophobicContact CG-CG 4.45Å; M298-I602 HydrophobicContact CB-CD1 3.96Å
299A93.3Very high95.7Very high20 Ų2024.2 Ų24.217%0.16516%0.162CC..THydrogen-bonded Turntrans-81.3-5.8174.900000113.6L75 Y80 I295 L296 D297 L301 I602L75-A299 HydrophobicContact CD1-CB 3.64Å; L75-A299 HydrophobicContact CD2-CB 4.36Å; Y80-A299 HydrophobicContact CE2-CB 3.93Å; Y80-A299 WeakPolarHBondContact OH-CA 3.46Å; Y80-A299 WeakPolarHBondContact OH-CB 3.48Å; I295-A299 WeakPolarHBondContact O-CB 3.01Å; I295-A299 PolarHBondContact O-N 3.23Å; I295-A299 VanDerWaalsContact O-N 3.08Å; L296-A299 CarbonylContact O-C 3.52Å; L296-A299 WeakPolarHBondContact O-CA 3.4Å; L296-A299 WeakPolarHBondContact O-CB 3.34Å; L296-A299 PolarHBondContact O-N 3.14Å; L296-A299 VanDerWaalsContact O-N 3.11Å; D297-A299 PolarHBondContact O-N 2.91Å; A299-L301 VanDerWaalsContact C-N 3.33Å; A299-L301 HydrophobicContact CB-CD1 4.24Å; A299-L301 HydrophobicContact CB-CG 4.16Å; A299-I602 HydrophobicContact CB-CD1 4.13Å
300G92Very high95.5Very high33 Ų3325.4 Ų25.434%0.3417%0.166SC..THydrogen-bonded Turntrans76.818.6-175.700000114L296 D297 M298 L596L296-G300 PolarHBondContact O-N 2.91Å; L296-G300 VanDerWaalsContact O-N 3.16Å; D297-G300 WeakPolarHBondContact O-CA 3.49Å; D297-G300 PolarHBondContact O-N 3.04Å; M298-G300 VanDerWaalsContact C-N 3.28Å; G300-L596 WeakPolarHBondContact O-CD2 3.5Å
301L95.2Very high95.3Very high43 Ų4325.9 Ų25.923%0.22517%0.17CC..PPolyproline II helixtrans-94.5146.7179.8-60.8176.2000110.8L75 L296 A299 V303L75-L301 HydrophobicContact CD2-CD1 3.75Å; L296-L301 HydrophobicContact CB-CB 4.33Å; L296-L301 HydrophobicContact CD2-CD1 4.23Å; L296-L301 PolarHBondContact O-N 2.95Å; A299-L301 VanDerWaalsContact C-N 3.33Å; A299-L301 HydrophobicContact CB-CD1 4.24Å; A299-L301 HydrophobicContact CB-CG 4.16Å; L301-V303 PolarHBondContact O-N 3.19Å
302P95.3Very high95.1Very high113 Ų11325.9 Ų25.973%0.73417%0.17SC*.PPolyproline II helixtrans-64.9135.4173.328.3-34.1000110.3P304P302-P304 WeakPolarHBondContact O-CD 3.34Å
303V95.7Very high94.8Very high58 Ų5826.6 Ų26.635%0.35217%0.173SC..PPolyproline II helixtrans-75.2122.3173.71770000109.3P293 L296 L301 M307P293-V303 HydrophobicContact CB-CB 4.4Å; P293-V303 HydrophobicContact CB-CG1 3.54Å; P293-V303 HydrophobicContact CB-CG2 3.89Å; P293-V303 WeakPolarHBondContact O-CG2 3.34Å; L296-V303 HydrophobicContact CB-CG2 4.34Å; L301-V303 PolarHBondContact O-N 3.19Å; V303-M307 HydrophobicContact CG1-CB 4.3Å; V303-M307 HydrophobicContact CG1-SD 4.14Å
304P96.2Very high94.3Very high22 Ų2227.9 Ų27.914%0.14318%0.182CC..PPolyproline II helixtrans-61.7139.1177.5-24.734000113Y74 L296 P302 H306 M307Y74-P304 HydrophobicContact CD2-CG 4.49Å; Y74-P304 HydrophobicContact CE1-CG 3.86Å; Y74-P304 HydrophobicContact CE2-CG 3.78Å; Y74-P304 VanDerWaalsContact CZ-CG 3.44Å; Y74-P304 WeakPolarHBondContact OH-CG 3.27Å; L296-P304 HydrophobicContact CD1-CG 4.18Å; P302-P304 WeakPolarHBondContact O-CD 3.34Å; P304-H306 WeakPolarHBondContact CB-CE1 3.25Å; P304-H306 WeakPolarHBondContact CB-ND1 3.46Å; P304-H306 PolarHBondContact O-N 3.16Å; P304-M307 HydrophobicContact CB-CG 4.44Å; P304-M307 HydrophobicContact CG-CE 4.18Å; P304-M307 PolarHBondContact O-N 3.14Å; P304-M307 VanDerWaalsContact O-N 3.07Å
305A94.4Very high94Very high95 Ų9528 Ų2879%0.78518%0.183SC*.THydrogen-bonded Turntrans-63.7-15.4-176.400000115.1G579A305-G579 WeakPolarHBondContact O-CA 3.46Å
306H94.2Very high93.6Very high52 Ų5228 Ų2824%0.24118%0.183CC..THydrogen-bonded Turntrans-81.7-16.5177.468-101.4000113.2Y74 P304Y74-H306 PolarHBondContact OH-CE1 3.31Å; P304-H306 WeakPolarHBondContact CB-CE1 3.25Å; P304-H306 WeakPolarHBondContact CB-ND1 3.46Å; P304-H306 PolarHBondContact O-N 3.16Å
307M96.8Very high93Very high2 Ų230.1 Ų30.11%0.0119%0.194CC..  trans-70.1132.8175.4-63.9-167.8171.500108.9S41 Y74 A292 P293 L296 V303 P304 G579 G580S41-M307 WeakPolarHBondContact O-CG 3.46Å; Y74-M307 HydrophobicContact CD2-CE 4.4Å; Y74-M307 HydrophobicContact CE2-CE 4.18Å; A292-M307 HydrophobicContact CB-CE 4.2Å; A292-M307 HydrophobicContact CB-SD 4.13Å; P293-M307 HydrophobicContact CB-SD 4.25Å; L296-M307 HydrophobicContact CD1-CE 3.66Å; L296-M307 HydrophobicContact CD1-SD 3.89Å; V303-M307 HydrophobicContact CG1-CB 4.3Å; V303-M307 HydrophobicContact CG1-SD 4.14Å; P304-M307 HydrophobicContact CB-CG 4.44Å; P304-M307 HydrophobicContact CG-CE 4.18Å; P304-M307 PolarHBondContact O-N 3.14Å; P304-M307 VanDerWaalsContact O-N 3.07Å; M307-G579 CarbonylContact O-C 3.54Å; M307-G579 WeakPolarHBondContact O-CA 3.19Å; M307-G580 PolarHBondContact O-N 3.33Å
308D96.2Very high92.5Very high0 Ų028.3 Ų28.30%018%0.183CC..  trans-84.4-28.6-178.7-65.2-35.7000112.2G42 I43 Y44 N47 I289 G579 C583G42-D308 PolarHBondContact O-N 3.11Å; I43-D308 WeakPolarHBondContact CA-OD2 3.49Å; I43-D308 WeakPolarHBondContact CG2-OD2 3.39Å; Y44-D308 HydrophobicContact CD2-CB 3.62Å; Y44-D308 HydrophobicContact CE2-CB 4.18Å; Y44-D308 HydrophobicContact CG-CB 4.49Å; Y44-D308 PolarHBondContact N-OD2 2.81Å; N47-D308 VanDerWaalsContact ND2-CG 3.32Å; N47-D308 PolarHBondContact ND2-OD1 3.28Å; N47-D308 VanDerWaalsContact ND2-OD1 3.15Å; N47-D308 PolarHBondContact ND2-OD2 2.78Å; I289-D308 HydrophobicContact CD1-CB 4.42Å; D308-G579 WeakPolarHBondContact OD1-CA 3.29Å; D308-G579 PolarHBondContact OD1-N 2.8Å; D308-C583 HydrophobicContact CB-CB 4.49Å
309G95.1Very high92.2Very high5 Ų529.9 Ų29.95%0.05219%0.191CC..SBendtrans-74.3174.5177.800000113.9G42 D290G42-G309 PolarHBondContact O-N 3.17Å; G42-G309 VanDerWaalsContact O-N 3.08Å; D290-G309 VanDerWaalsContact OD1-CA 3.27Å; D290-G309 WeakPolarHBondContact OD1-CA 3.23Å
310R93Very high91.7Very high24 Ų2429.3 Ų29.39%0.09119%0.185CC..  trans-130.5143.2178.4-173.1179.6-177.2-168.21.8110.5D290 F312 P333 W334 R335 E584 G589 D591D290-R310 VanDerWaalsContact CB-O 3.28Å; D290-R310 WeakPolarHBondContact CB-O 3.44Å; D290-R310 PolarHBondContact OD1-N 2.95Å; R310-F312 PolarHBondContact O-N 3.23Å; R310-P333 PolarHBondContact NH1-O 2.84Å; R310-W334 HydrophobicContact CB-CH2 4.08Å; R310-W334 HydrophobicContact CB-CZ3 4.33Å; R310-W334 HydrophobicContact CG-CH2 4.15Å; R310-W334 HydrophobicContact CG-CZ3 3.93Å; R310-R335 VanDerWaalsContact CB-NH2 3.33Å; R310-E584 HydrophobicContact CB-CG 4.25Å; R310-G589 VanDerWaalsContact CZ-O 3.3Å; R310-G589 PolarHBondContact NH1-O 2.98Å; R310-G589 PolarHBondContact NH2-O 3.26Å; R310-D591 IonicContact CZ-OD1 3.56Å; R310-D591 IonicContact NE-OD1 3.23Å; R310-D591 PolarHBondContact NE-OD1 3.3Å; R310-D591 IonicContact NH2-OD1 3.29Å; R310-D591 PolarHBondContact NH2-OD1 3.18Å
311S94.6Very high91.1Very high11 Ų1133.7 Ų33.78%0.07719%0.191CC..  trans-63.4124.7173.4174.90000111.6T294 D297 L313 W334T294-S311 WeakPolarHBondContact OG1-CA 3.46Å; D297-S311 VanDerWaalsContact CB-OG 3.31Å; D297-S311 WeakPolarHBondContact CB-OG 3.46Å; D297-S311 WeakPolarHBondContact OD2-CB 2.96Å; D297-S311 PolarHBondContact OD2-OG 3.13Å; S311-L313 VanDerWaalsContact C-N 3.31Å; S311-L313 WeakPolarHBondContact OG-CB 2.94Å; S311-L313 PolarHBondContact OG-N 2.95Å; S311-W334 WeakPolarHBondContact O-CH2 3.36Å; S311-W334 VanDerWaalsContact O-CZ3 3.31Å; S311-W334 WeakPolarHBondContact O-CZ3 3.3Å
312F93.7Very high90.6Very high0 Ų035.2 Ų35.20%020%0.2CC..  trans-88.95.9173.159.3-104.5000112.9F22 M234 F264 A266 V286 D290 T294 M298 R310 S314 L315 L316 W334F22-F312 AromaticContact CE2-CD2 3.85Å; F22-F312 HydrophobicContact CE2-CD2 3.85Å; F22-F312 HydrophobicContact CE2-CE2 4.01Å; F22-F312 HydrophobicContact CE2-CG 4.37Å; F22-F312 HydrophobicContact CZ-CB 4.09Å; F22-F312 AromaticContact CZ-CD2 3.6Å; F22-F312 HydrophobicContact CZ-CD2 3.6Å; F22-F312 HydrophobicContact CZ-CE2 4.24Å; F22-F312 AromaticContact CZ-CG 3.92Å; F22-F312 HydrophobicContact CZ-CG 3.92Å; M234-F312 HydrophobicContact CE-CE1 4.05Å; M234-F312 HydrophobicContact CE-CZ 3.5Å; M234-F312 VanDerWaalsContact CE-CZ 3.5Å; M234-F312 HydrophobicContact SD-CZ 3.84Å; F264-F312 HydrophobicContact CE1-CD1 4.41Å; F264-F312 AromaticContact CE1-CE1 3.6Å; F264-F312 HydrophobicContact CE1-CE1 3.6Å; F264-F312 HydrophobicContact CE1-CE2 4.41Å; F264-F312 AromaticContact CE1-CZ 3.6Å; F264-F312 HydrophobicContact CE1-CZ 3.6Å; F264-F312 HydrophobicContact CZ-CD1 4.46Å; F264-F312 AromaticContact CZ-CE1 3.64Å; F264-F312 HydrophobicContact CZ-CE1 3.64Å; F264-F312 HydrophobicContact CZ-CZ 4.06Å; A266-F312 HydrophobicContact CB-CE2 4.28Å; V286-F312 HydrophobicContact CG1-CB 4.28Å; V286-F312 HydrophobicContact CG1-CD1 4.43Å; V286-F312 HydrophobicContact CG1-CG 4.49Å; D290-F312 HydrophobicContact CB-CD1 3.97Å; D290-F312 HydrophobicContact CB-CE1 4.42Å; T294-F312 HydrophobicContact CG2-CD1 4.24Å; T294-F312 HydrophobicContact CG2-CD2 3.97Å; T294-F312 HydrophobicContact CG2-CE1 3.9Å; T294-F312 HydrophobicContact CG2-CE2 3.63Å; T294-F312 HydrophobicContact CG2-CG 4.26Å; T294-F312 HydrophobicContact CG2-CZ 3.58Å; T294-F312 WeakPolarHBondContact OG1-CD1 3.38Å; T294-F312 WeakPolarHBondContact OG1-CE1 3.39Å; T294-F312 PolarHBondContact OG1-N 3Å; M298-F312 HydrophobicContact CE-CE2 4.42Å; R310-F312 PolarHBondContact O-N 3.23Å; F312-S314 VanDerWaalsContact C-N 3.34Å; F312-S314 PolarHBondContact O-N 2.68Å; F312-L315 WeakPolarHBondContact O-CB 3.4Å; F312-L315 PolarHBondContact O-N 2.99Å; F312-L316 HydrophobicContact CD2-CD1 3.54Å; F312-L316 HydrophobicContact CD2-CG 3.93Å; F312-L316 HydrophobicContact CE2-CD1 3.63Å; F312-L316 HydrophobicContact CE2-CG 4.45Å; F312-L316 PolarHBondContact O-N 3.42Å; F312-W334 HydrophobicContact CB-CH2 3.61Å; F312-W334 HydrophobicContact CB-CZ2 3.93Å; F312-W334 HydrophobicContact CB-CZ3 4.37Å
313L91.3Very high89.8Confident15 Ų1534 Ų348%0.07918%0.182CC..Hα-helixtrans-59.9-44.4178.9179.261.3000111.9Y232 F271 T294 D297 M298 S311 L315 L316 I317Y232-L313 HydrophobicContact CE1-CD1 4.3Å; F271-L313 HydrophobicContact CE1-CD1 3.67Å; F271-L313 HydrophobicContact CZ-CD1 3.59Å; T294-L313 HydrophobicContact CG2-CB 4.41Å; D297-L313 HydrophobicContact CB-CD2 4.45Å; D297-L313 WeakPolarHBondContact OD2-CB 3.33Å; M298-L313 HydrophobicContact CE-CD1 4.08Å; M298-L313 HydrophobicContact CG-CD1 4.03Å; M298-L313 HydrophobicContact CG-CD2 3.98Å; M298-L313 HydrophobicContact CG-CG 4.45Å; S311-L313 VanDerWaalsContact C-N 3.31Å; S311-L313 WeakPolarHBondContact OG-CB 2.94Å; S311-L313 PolarHBondContact OG-N 2.95Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 2.88Å; L313-L316 PolarHBondContact O-N 3.2Å; L313-I317 HydrophobicContact CD1-CD1 4.21Å; L313-I317 HydrophobicContact CG-CD1 4.07Å; L313-I317 WeakPolarHBondContact O-CG1 3.37Å; L313-I317 PolarHBondContact O-N 3.49Å
314S87Confident88.9Confident26 Ų2634.3 Ų34.318%0.18218%0.182CC..Hα-helixtrans-61.3-41.1177.362.20000111.9F312 I317 H318 I332F312-S314 VanDerWaalsContact C-N 3.34Å; F312-S314 PolarHBondContact O-N 2.68Å; S314-I317 PolarHBondContact O-N 3.41Å; S314-H318 WeakPolarHBondContact O-CB 2.95Å; S314-H318 PolarHBondContact O-N 2.61Å; S314-I332 VanDerWaalsContact O-CD1 3.26Å; S314-I332 WeakPolarHBondContact O-CD1 3.25Å
315L88.6Confident87.9Confident2 Ų236.3 Ų36.31%0.0121%0.207CC..Hα-helixtrans-61.8-48174.7176.163.4000111.2F22 I282 K284 F312 L313 I317 H318 E319 W334F22-L315 HydrophobicContact CE1-CD2 3.84Å; I282-L315 HydrophobicContact CG2-CD2 4.35Å; K284-L315 HydrophobicContact CB-CD2 3.82Å; K284-L315 HydrophobicContact CG-CD1 4.09Å; K284-L315 HydrophobicContact CG-CD2 4.3Å; F312-L315 WeakPolarHBondContact O-CB 3.4Å; F312-L315 PolarHBondContact O-N 2.99Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 2.88Å; L315-I317 PolarHBondContact O-N 3.32Å; L315-H318 PolarHBondContact O-N 3.07Å; L315-E319 HydrophobicContact CD1-CG 3.8Å; L315-E319 HydrophobicContact CG-CG 4.31Å; L315-E319 WeakPolarHBondContact O-CB 3.45Å; L315-E319 WeakPolarHBondContact O-CG 3.31Å; L315-E319 PolarHBondContact O-N 2.85Å; L315-W334 HydrophobicContact CB-CE3 4.24Å; L315-W334 HydrophobicContact CB-CZ3 4.43Å; L315-W334 HydrophobicContact CD2-CD2 3.74Å; L315-W334 HydrophobicContact CD2-CE3 4.16Å; L315-W334 HydrophobicContact CD2-CG 3.99Å; L315-W334 HydrophobicContact CD2-CZ2 4.38Å
316L88.2Confident86.7Confident1 Ų137.9 Ų37.91%0.00520%0.196CC..Hα-helixtrans-57.7-45.8176.8-75172.9000112.6A20 F22 A266 F271 I282 F312 L313 H318 S320A20-L316 HydrophobicContact CB-CD2 3.5Å; F22-L316 HydrophobicContact CE2-CD2 3.75Å; F22-L316 HydrophobicContact CE2-CG 4.26Å; F22-L316 HydrophobicContact CZ-CD1 4.44Å; F22-L316 HydrophobicContact CZ-CD2 3.55Å; F22-L316 HydrophobicContact CZ-CG 3.81Å; A266-L316 HydrophobicContact CB-CD1 3.79Å; A266-L316 HydrophobicContact CB-CD2 4.43Å; F271-L316 HydrophobicContact CD1-CB 3.65Å; F271-L316 HydrophobicContact CE1-CB 3.29Å; F271-L316 HydrophobicContact CE1-CD1 3.74Å; F271-L316 HydrophobicContact CE1-CG 4.13Å; F271-L316 HydrophobicContact CE2-CD1 4.08Å; F271-L316 HydrophobicContact CZ-CB 3.99Å; F271-L316 HydrophobicContact CZ-CD1 3.49Å; F271-L316 VanDerWaalsContact CZ-CD1 3.49Å; F271-L316 HydrophobicContact CZ-CG 4.36Å; I282-L316 HydrophobicContact CD1-CD2 3.6Å; F312-L316 HydrophobicContact CD2-CD1 3.54Å; F312-L316 HydrophobicContact CD2-CG 3.93Å; F312-L316 HydrophobicContact CE2-CD1 3.63Å; F312-L316 HydrophobicContact CE2-CG 4.45Å; F312-L316 PolarHBondContact O-N 3.42Å; L313-L316 PolarHBondContact O-N 3.2Å; L316-H318 VanDerWaalsContact C-N 3.3Å; L316-H318 PolarHBondContact O-N 3.01Å; L316-S320 VanDerWaalsContact O-CB 3.28Å; L316-S320 WeakPolarHBondContact O-CB 3.35Å; L316-S320 PolarHBondContact O-N 2.91Å
317I85.3Confident85.2Confident44 Ų4447.4 Ų47.423%0.22623%0.23CC..Hα-helixtrans-62.8-40.5178.7-68167.8000110.6A270 F271 L313 S314 L315 R321A270-I317 HydrophobicContact CB-CD1 4.4Å; A270-I317 HydrophobicContact CB-CG1 4.29Å; F271-I317 HydrophobicContact CD1-CG1 4.24Å; F271-I317 HydrophobicContact CE1-CG1 4.04Å; L313-I317 HydrophobicContact CD1-CD1 4.21Å; L313-I317 HydrophobicContact CG-CD1 4.07Å; L313-I317 WeakPolarHBondContact O-CG1 3.37Å; L313-I317 PolarHBondContact O-N 3.49Å; S314-I317 PolarHBondContact O-N 3.41Å; L315-I317 PolarHBondContact O-N 3.32Å; I317-R321 VanDerWaalsContact O-CG 3.25Å; I317-R321 WeakPolarHBondContact O-CG 3.27Å; I317-R321 PolarHBondContact O-N 2.77Å; I317-R321 VanDerWaalsContact O-N 3.11Å
318H84Confident83.4Confident21 Ų2149.5 Ų49.510%0.09725%0.245CC..Hα-helixtrans-69.2-50.2-179.7176.368.8000112.8S314 L315 L316 S320 R321 L322 S328 M330 I332S314-H318 WeakPolarHBondContact O-CB 2.95Å; S314-H318 PolarHBondContact O-N 2.61Å; L315-H318 PolarHBondContact O-N 3.07Å; L316-H318 VanDerWaalsContact C-N 3.3Å; L316-H318 PolarHBondContact O-N 3.01Å; H318-S320 VanDerWaalsContact C-N 3.28Å; H318-S320 PolarHBondContact O-N 3.21Å; H318-R321 WeakPolarHBondContact O-CB 3.31Å; H318-R321 PolarHBondContact O-N 2.97Å; H318-R321 VanDerWaalsContact O-N 3.07Å; H318-L322 WeakPolarHBondContact NE2-CD1 3.47Å; H318-L322 WeakPolarHBondContact O-CG 3.32Å; H318-L322 PolarHBondContact O-N 3.14Å; H318-S328 PolarHBondContact CE1-OG 2.93Å; H318-S328 PolarHBondContact ND1-OG 3.47Å; H318-M330 PolarHBondContact CE1-O 2.77Å; H318-I332 HydrophobicContact CB-CD1 3.29Å; H318-I332 HydrophobicContact CB-CG1 3.85Å
319E86.6Confident81.7Confident41 Ų4161.7 Ų61.719%0.19229%0.291CS..Hα-helixtrans-60.9-38.4178.4-68.5-67169.200111.5L280 I282 L315 L322 K323L280-E319 HydrophobicContact CD1-CB 4.45Å; L280-E319 HydrophobicContact CD2-CB 3.91Å; I282-E319 HydrophobicContact CD1-CB 3.91Å; I282-E319 HydrophobicContact CD1-CG 4.01Å; I282-E319 HydrophobicContact CG1-CB 4.07Å; I282-E319 HydrophobicContact CG1-CG 4.07Å; I282-E319 HydrophobicContact CG2-CG 4.18Å; L315-E319 HydrophobicContact CD1-CG 3.8Å; L315-E319 HydrophobicContact CG-CG 4.31Å; L315-E319 WeakPolarHBondContact O-CB 3.45Å; L315-E319 WeakPolarHBondContact O-CG 3.31Å; L315-E319 PolarHBondContact O-N 2.85Å; E319-L322 PolarHBondContact O-N 3.47Å; E319-K323 PolarHBondContact O-N 3.32Å
320S81.7Confident80.3Confident7 Ų766 Ų665%0.04931%0.311CS..Hα-helixtrans-60.9-46.7172.1165.70000112.2F271 L316 H318 L322 K323 L324F271-S320 WeakPolarHBondContact O-CB 3.08Å; F271-S320 PolarHBondContact O-OG 3.35Å; L316-S320 VanDerWaalsContact O-CB 3.28Å; L316-S320 WeakPolarHBondContact O-CB 3.35Å; L316-S320 PolarHBondContact O-N 2.91Å; H318-S320 VanDerWaalsContact C-N 3.28Å; H318-S320 PolarHBondContact O-N 3.21Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-L322 PolarHBondContact O-N 3.44Å; S320-K323 PolarHBondContact O-N 2.96Å; S320-L324 WeakPolarHBondContact O-CG 3.3Å; S320-L324 PolarHBondContact O-N 3.07Å; S320-L324 VanDerWaalsContact O-N 3.08Å
321R81.1Confident79.1Confident125 Ų12570.9 Ų70.947%0.47234%0.343SS..Hα-helixtrans-62.6-40.1177.9-74.5171.2179.2-1731112.3I317 H318 L324 K326I317-R321 VanDerWaalsContact O-CG 3.25Å; I317-R321 WeakPolarHBondContact O-CG 3.27Å; I317-R321 PolarHBondContact O-N 2.77Å; I317-R321 VanDerWaalsContact O-N 3.11Å; H318-R321 WeakPolarHBondContact O-CB 3.31Å; H318-R321 PolarHBondContact O-N 2.97Å; H318-R321 VanDerWaalsContact O-N 3.07Å; R321-L324 PolarHBondContact O-N 3.43Å; R321-K326 HydrophobicContact CB-CB 4.46Å; R321-K326 WeakPolarHBondContact O-CB 3.17Å; R321-K326 PolarHBondContact O-N 2.96Å; R321-K326 VanDerWaalsContact O-N 3.13Å
322L82.9Confident78.3Confident76 Ų7671.3 Ų71.340%0.39834%0.344SS..Hα-helixtrans-61.8-45.6175.1-70.6-177.9000111.2H318 E319 S320 L324 G325H318-L322 WeakPolarHBondContact NE2-CD1 3.47Å; H318-L322 WeakPolarHBondContact O-CG 3.32Å; H318-L322 PolarHBondContact O-N 3.14Å; E319-L322 PolarHBondContact O-N 3.47Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-L322 PolarHBondContact O-N 3.44Å; L322-L324 PolarHBondContact O-N 2.99Å; L322-G325 PolarHBondContact O-N 3.31Å
323K79.3Confident77.6Confident86 Ų8673 Ų7337%0.37436%0.355SS..Hα-helixtrans-61.3-29.5176.7-172168.8179.4-177.80112.9I278 L279 L280 E319 S320 G325I278-K323 PolarHBondContact O-NZ 3.03Å; L279-K323 PolarHBondContact O-NZ 3.01Å; L280-K323 HydrophobicContact CB-CD 4.32Å; L280-K323 HydrophobicContact CD1-CB 4.04Å; L280-K323 HydrophobicContact CD1-CD 3.49Å; L280-K323 VanDerWaalsContact CD1-CD 3.49Å; L280-K323 HydrophobicContact CD1-CG 4.36Å; L280-K323 HydrophobicContact CG-CD 4.47Å; E319-K323 PolarHBondContact O-N 3.32Å; S320-K323 PolarHBondContact O-N 2.96Å; K323-G325 PolarHBondContact O-N 3.44Å
324L76.7Confident77.4Confident66 Ų6672.6 Ų72.635%0.34635%0.352SS..THydrogen-bonded Turntrans-80.77.5174-65.9174.1000114.2T274 S320 R321 L322 K326T274-L324 VanDerWaalsContact OG1-CD2 3.26Å; T274-L324 WeakPolarHBondContact OG1-CD2 3.44Å; S320-L324 WeakPolarHBondContact O-CG 3.3Å; S320-L324 PolarHBondContact O-N 3.07Å; S320-L324 VanDerWaalsContact O-N 3.08Å; R321-L324 PolarHBondContact O-N 3.43Å; L322-L324 PolarHBondContact O-N 2.99Å; L324-K326 HydrophobicContact CB-CG 4.4Å; L324-K326 PolarHBondContact O-N 2.03Å
325G75.4Confident77.6Confident64 Ų6471.4 Ų71.466%0.6634%0.344SS*.THydrogen-bonded Turntrans68.710.8-179.500000114.1L322 K323 R327L322-G325 PolarHBondContact O-N 3.31Å; K323-G325 PolarHBondContact O-N 3.44Å; G325-R327 PolarHBondContact O-N 3.03Å
326K70.1Confident77.6Confident128 Ų12875 Ų7556%0.55736%0.36SS*.  trans-74.3116.5176-66-176.7178.1178.10108R321 L324 S328R321-K326 HydrophobicContact CB-CB 4.46Å; R321-K326 WeakPolarHBondContact O-CB 3.17Å; R321-K326 PolarHBondContact O-N 2.96Å; R321-K326 VanDerWaalsContact O-N 3.13Å; L324-K326 HydrophobicContact CB-CG 4.4Å; L324-K326 PolarHBondContact O-N 2.03Å; K326-S328 PolarHBondContact O-N 3.35Å
327R61.2Low77.7Confident251 Ų25175.5 Ų75.595%0.94736%0.364SS*.  trans-56.5109.3174.7-73.5-177176.9175.1-1.3109.6G325G325-R327 PolarHBondContact O-N 3.03Å
328S60.2Low78.1Confident47 Ų4773.4 Ų73.433%0.32935%0.353SS..  trans-97.2114.2164.8-174.40000108H318 K326 M330H318-S328 PolarHBondContact CE1-OG 2.93Å; H318-S328 PolarHBondContact ND1-OG 3.47Å; K326-S328 PolarHBondContact O-N 3.35Å; S328-M330 PolarHBondContact O-N 2.91Å; S328-M330 PolarHBondContact OG-N 3.37Å; S328-M330 PolarHBondContact OG-O 2.94Å
329R60Low78.6Confident255 Ų25572.4 Ų72.496%0.96235%0.349SS*.  trans-71.2-15167.9-77.3-174.2175.9168.7-1.3112.4
330M64.7Low79Confident96 Ų9670.4 Ų70.447%0.47334%0.339SS..  trans-91.1124.3179.5-72.9171.352.500109.7H318 S328 V592H318-M330 PolarHBondContact CE1-O 2.77Å; S328-M330 PolarHBondContact O-N 2.91Å; S328-M330 PolarHBondContact OG-N 3.37Å; S328-M330 PolarHBondContact OG-O 2.94Å; M330-V592 HydrophobicContact CE-CG2 3.58Å
331V68.8Low79.5Confident126 Ų12670.3 Ų70.376%0.76434%0.338SS*.  trans-80.5127.5161178.10000106.5P333V331-P333 WeakPolarHBondContact O-CD 3.14Å
332I76.9Confident79.9Confident21 Ų2166.1 Ų66.111%0.10832%0.322CS..  trans-86.3108.2167.1-63.4-162.9000108S314 H318 W334S314-I332 VanDerWaalsContact O-CD1 3.26Å; S314-I332 WeakPolarHBondContact O-CD1 3.25Å; H318-I332 HydrophobicContact CB-CD1 3.29Å; H318-I332 HydrophobicContact CB-CG1 3.85Å; I332-W334 PolarHBondContact O-N 3Å
333P79.6Confident79.3Confident35 Ų3563.4 Ų63.423%0.22731%0.313CS..  trans-66.1133.217324.4-31.6000110.5R310 V331 I588 G589R310-P333 PolarHBondContact NH1-O 2.84Å; V331-P333 WeakPolarHBondContact O-CD 3.14Å; P333-I588 VanDerWaalsContact CB-C 3.45Å; P333-I588 WeakPolarHBondContact CB-O 3.36Å; P333-G589 WeakPolarHBondContact CG-O 3.24Å
334W87.9Confident78.5Confident6 Ų663.3 Ų63.32%0.02332%0.315CS..  trans-142.9153.3180-166.8-96.2000109.9K284 P285 V286 R310 S311 F312 L315 I332K284-W334 HydrophobicContact CB-CG 4.31Å; K284-W334 HydrophobicContact CD-CB 4.36Å; P285-W334 PolarHBondContact O-NE1 3.16Å; V286-W334 HydrophobicContact CG1-CZ2 4.15Å; R310-W334 HydrophobicContact CB-CH2 4.08Å; R310-W334 HydrophobicContact CB-CZ3 4.33Å; R310-W334 HydrophobicContact CG-CH2 4.15Å; R310-W334 HydrophobicContact CG-CZ3 3.93Å; S311-W334 WeakPolarHBondContact O-CH2 3.36Å; S311-W334 VanDerWaalsContact O-CZ3 3.31Å; S311-W334 WeakPolarHBondContact O-CZ3 3.3Å; F312-W334 HydrophobicContact CB-CH2 3.61Å; F312-W334 HydrophobicContact CB-CZ2 3.93Å; F312-W334 HydrophobicContact CB-CZ3 4.37Å; L315-W334 HydrophobicContact CB-CE3 4.24Å; L315-W334 HydrophobicContact CB-CZ3 4.43Å; L315-W334 HydrophobicContact CD2-CD2 3.74Å; L315-W334 HydrophobicContact CD2-CE3 4.16Å; L315-W334 HydrophobicContact CD2-CG 3.99Å; L315-W334 HydrophobicContact CD2-CZ2 4.38Å; I332-W334 PolarHBondContact O-N 3Å
335R89.7Confident77.4Confident2 Ų263.5 Ų63.51%0.00831%0.312CS..  trans-59.6143.8178.771.8-176.174.114212112.2P285 D290 R310 E584 S587P285-R335 VanDerWaalsContact CD-O 3.29Å; P285-R335 WeakPolarHBondContact CD-O 3.38Å; P285-R335 HydrophobicContact CG-CG 4.46Å; P285-R335 VanDerWaalsContact CG-O 3.29Å; P285-R335 WeakPolarHBondContact CG-O 3.36Å; D290-R335 VanDerWaalsContact CG-NH1 3.32Å; D290-R335 IonicContact OD1-CZ 3.44Å; D290-R335 VanDerWaalsContact OD1-CZ 3.24Å; D290-R335 IonicContact OD1-NH1 3.49Å; D290-R335 PolarHBondContact OD1-NH1 3.49Å; D290-R335 IonicContact OD1-NH2 3.85Å; D290-R335 PolarHBondContact OD1-NH2 3.27Å; D290-R335 IonicContact OD2-CZ 3.94Å; D290-R335 IonicContact OD2-NH1 3.87Å; D290-R335 PolarHBondContact OD2-NH1 2.92Å; D290-R335 IonicContact OD2-NH2 3.74Å; R310-R335 VanDerWaalsContact CB-NH2 3.33Å; R335-E584 VanDerWaalsContact CZ-CD 3.46Å; R335-E584 IonicContact CZ-OE1 3.36Å; R335-E584 IonicContact CZ-OE2 3.86Å; R335-E584 IonicContact NE-OE1 2.71Å; R335-E584 PolarHBondContact NE-OE1 3.49Å; R335-E584 IonicContact NE-OE2 2.68Å; R335-E584 PolarHBondContact NE-OE2 2.79Å; R335-E584 IonicContact NH1-OE1 2.99Å; R335-E584 IonicContact NH2-OE1 3.63Å; R335-E584 PolarHBondContact NH2-OE1 3.2Å; R335-E584 IonicContact NH2-OE2 3.16Å; R335-E584 PolarHBondContact NH2-OE2 3.27Å; R335-S587 VanDerWaalsContact CA-CB 3.46Å; R335-S587 WeakPolarHBondContact CA-OG 3.27Å; R335-S587 VanDerWaalsContact CB-CB 3.49Å; R335-S587 WeakPolarHBondContact CB-OG 3.22Å
336H88.6Confident76.3Confident77 Ų7764.4 Ų64.436%0.35631%0.306SS..SBendtrans-99.2-15.8168.6-62.5133.4000112.3K284 T529 V530 N531K284-H336 PolarHBondContact NZ-NE2 3.05Å; H336-T529 HydrophobicContact CB-CG2 4.37Å; H336-T529 CarbonylContact O-C 3.59Å; H336-T529 VanDerWaalsContact O-CA 3.25Å; H336-T529 WeakPolarHBondContact O-CA 3.36Å; H336-V530 PolarHBondContact O-N 2.82Å; H336-N531 HydrophobicContact CB-CB 4.32Å
337S90.8Very high75.3Confident11 Ų1166 Ų668%0.07731%0.313CS..EExtended strand (participates in β ladder)trans-127.6142.5-174.4-52.90000111.7R528 T529 Q570S337-R528 CarbonylContact C-O 3.55Å; S337-R528 VanDerWaalsContact CA-O 3.28Å; S337-R528 WeakPolarHBondContact CA-O 3.2Å; S337-T529 PolarHBondContact OG-OG1 2.9Å; S337-Q570 PolarHBondContact OG-NE2 3.19Å
338V93.6Very high74.8Confident0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-121.9136.3175.2175.90000109F26 T28 P285 A287 R528F26-V338 HydrophobicContact CB-CG1 4.37Å; F26-V338 HydrophobicContact CD2-CB 4.48Å; F26-V338 HydrophobicContact CD2-CG2 4.3Å; T28-V338 HydrophobicContact CG2-CG1 4.47Å; P285-V338 HydrophobicContact CB-CG2 4.09Å; A287-V338 HydrophobicContact CB-CG1 3.76Å; A287-V338 HydrophobicContact CB-CG2 4.39Å; V338-R528 PolarHBondContact N-O 3.01Å; V338-R528 PolarHBondContact O-N 3.43Å
339L95Very high74.6Confident0 Ų057.2 Ų57.20%028%0.281CS..EExtended strand (participates in β ladder)trans-78.2131.2172177.968000110.6Y44 E341 W525 C526 L571 L574 R575Y44-L339 HydrophobicContact CD1-CB 4.43Å; Y44-L339 HydrophobicContact CD1-CD2 4.21Å; Y44-L339 HydrophobicContact CE1-CB 3.75Å; Y44-L339 HydrophobicContact CE1-CD2 4.33Å; Y44-L339 HydrophobicContact CE1-CG 4.36Å; Y44-L339 WeakPolarHBondContact CE1-O 3.4Å; Y44-L339 HydrophobicContact CG-CD2 4.47Å; L339-E341 HydrophobicContact CD1-CG 4.17Å; L339-E341 HydrophobicContact CD2-CG 3.75Å; L339-E341 HydrophobicContact CG-CG 3.64Å; L339-W525 HydrophobicContact CD1-CB 4.48Å; L339-C526 WeakPolarHBondContact CA-O 3.33Å; L339-L571 HydrophobicContact CD1-CD1 3.61Å; L339-L574 HydrophobicContact CB-CB 4.3Å; L339-L574 HydrophobicContact CB-CD1 4.42Å; L339-L574 HydrophobicContact CD1-CB 4.38Å; L339-L574 HydrophobicContact CD2-CB 4.37Å; L339-R575 HydrophobicContact CD1-CG 3.94Å
340I94.9Very high74.4Confident0 Ų052.3 Ų52.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117.3131.5171.3-55176.1000108.4T28 V260 Y524 W525 C526 R528 L537T28-I340 CarbonylContact O-C 3.56Å; T28-I340 WeakPolarHBondContact O-CA 3.01Å; V260-I340 HydrophobicContact CB-CD1 3.91Å; V260-I340 HydrophobicContact CB-CG2 4.49Å; V260-I340 HydrophobicContact CG1-CD1 4.15Å; V260-I340 HydrophobicContact CG1-CG2 3.79Å; V260-I340 HydrophobicContact CG2-CD1 3.67Å; I340-Y524 HydrophobicContact CG2-CE2 4.17Å; I340-W525 CarbonylContact O-C 3.44Å; I340-W525 WeakPolarHBondContact O-CA 3.39Å; I340-C526 HydrophobicContact CB-CB 4.17Å; I340-C526 PolarHBondContact N-O 3.22Å; I340-C526 PolarHBondContact O-N 3.39Å; I340-R528 HydrophobicContact CD1-CB 3.82Å; I340-R528 HydrophobicContact CD1-CG 4.44Å; I340-R528 HydrophobicContact CG1-CB 4.41Å; I340-L537 HydrophobicContact CD1-CD1 4.45Å
341E92.7Very high74.1Confident4 Ų451.2 Ų51.22%0.01926%0.262CS..EExtended strand (participates in β ladder)trans-129.3141.1-172-52.5-163.481.600112.8T28 T29 V45 H46 L339 W525T28-E341 PolarHBondContact O-N 2.62Å; T29-E341 VanDerWaalsContact CB-O 3.23Å; T29-E341 WeakPolarHBondContact CB-O 3.42Å; T29-E341 PolarHBondContact OG1-O 2.85Å; V45-E341 HydrophobicContact CB-CB 4.2Å; V45-E341 PolarHBondContact N-OE2 2.82Å; H46-E341 WeakPolarHBondContact CB-OE1 3.2Å; H46-E341 IonicContact CE1-OE2 3.06Å; H46-E341 IonicContact CG-OE1 2.81Å; H46-E341 IonicContact CG-OE2 3.66Å; H46-E341 PolarHBondContact N-OE2 2.81Å; H46-E341 IonicContact ND1-OE1 3.86Å; H46-E341 PolarHBondContact ND1-OE1 2.96Å; H46-E341 IonicContact ND1-OE2 3.34Å; H46-E341 PolarHBondContact ND1-OE2 2.97Å; L339-E341 HydrophobicContact CD1-CG 4.17Å; L339-E341 HydrophobicContact CD2-CG 3.75Å; L339-E341 HydrophobicContact CG-CG 3.64Å; E341-W525 VanDerWaalsContact OE1-CD1 3.28Å; E341-W525 PolarHBondContact OE1-NE1 3.18Å
342R88.1Confident73.6Confident37 Ų3750.1 Ų50.114%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-147.2135.1165-173.2174.9169.4-167.65.4110.8T253 N522 S523 Y524T253-R342 WeakPolarHBondContact O-CD 3.4Å; T253-R342 PolarHBondContact O-NH1 3.22Å; T253-R342 PolarHBondContact OG1-NH1 3.36Å; T253-R342 PolarHBondContact OG1-NH2 2.96Å; R342-N522 WeakPolarHBondContact CD-O 2.88Å; R342-N522 WeakPolarHBondContact CG-O 3.41Å; R342-N522 VanDerWaalsContact CZ-ND2 3.34Å; R342-N522 PolarHBondContact NE-O 2.88Å; R342-N522 PolarHBondContact NH1-ND2 1.98Å; R342-N522 PolarHBondContact NH2-ND2 3.32Å; R342-S523 CarbonylContact O-C 3.52Å; R342-S523 WeakPolarHBondContact O-CA 3.37Å; R342-Y524 HydrophobicContact CB-CD1 4.06Å; R342-Y524 HydrophobicContact CB-CD2 4.13Å; R342-Y524 HydrophobicContact CB-CE1 3.64Å; R342-Y524 HydrophobicContact CB-CE2 3.68Å; R342-Y524 HydrophobicContact CB-CG 4.29Å; R342-Y524 VanDerWaalsContact CB-CZ 3.41Å; R342-Y524 HydrophobicContact CG-CE1 4.18Å; R342-Y524 PolarHBondContact N-O 2.8Å; R342-Y524 PolarHBondContact O-N 3.45Å; R342-Y524 VanDerWaalsContact O-O 3.11Å
343G71.6Confident72.9Confident20 Ų2053 Ų5321%0.20626%0.257CS..SBendtrans122.5169.2169.700000115.1H51 S523H51-G343 PolarHBondContact ND1-O 2.93Å; H51-G343 VanDerWaalsContact ND1-O 3.1Å; G343-S523 WeakPolarHBondContact CA-OG 3.17Å
344I61.5Low71.9Confident83 Ų8358 Ų5843%0.42627%0.272SS..  trans-91.7116-174.8-63.4169.6000109.5H51H51-I344 HydrophobicContact CB-CG1 4.23Å
345R55.1Low70.6Confident70 Ų7062 Ų6226%0.26429%0.293SS..Hα-helixtrans-70.4-31.9-173.8-151177.7179.1168.211.7115.8H46 R575H46-R345 VanDerWaalsContact CB-NH1 3.3Å; H46-R345 PolarHBondContact CD2-NH1 2.93Å; R345-R575 PolarHBondContact NH1-O 2.93Å; R345-R575 PolarHBondContact NH2-O 3.04Å
346P50.8Low69.1Low84 Ų8464 Ų6455%0.54531%0.309SS..Hα-helixtrans-83.1-49.5-170.7-19.133.1000116.5
347K48.7Very low67.8Low162 Ų16266.7 Ų66.770%0.70432%0.317SS*.Hα-helixtrans-78.3-33.9-169.5-74.2-173.2177.4-1790113.3L351K347-L351 PolarHBondContact O-N 2.94Å
348L52.7Low66.1Low46 Ų4671.6 Ų71.624%0.24134%0.338CS..Hα-helixtrans-81.8-28.5-177.2-78.8157.5000113.6L351 R352 N521 V542L348-L351 PolarHBondContact O-N 3.27Å; L348-R352 WeakPolarHBondContact O-CB 3.42Å; L348-R352 PolarHBondContact O-N 2.57Å; L348-N521 WeakPolarHBondContact CD1-ND2 3.17Å; L348-N521 WeakPolarHBondContact CD2-ND2 3.05Å; L348-V542 HydrophobicContact CB-CG1 4.14Å; L348-V542 HydrophobicContact CD2-CG1 4.22Å
349L54.8Low64.1Low67 Ų6778.8 Ų78.835%0.35137%0.372SS..Hα-helixtrans-64.2-46.8171.7-129.889.3000110.2L351 R352 E353 W525L349-L351 PolarHBondContact O-N 2.85Å; L349-R352 PolarHBondContact O-N 2.8Å; L349-E353 WeakPolarHBondContact O-CB 3.08Å; L349-E353 WeakPolarHBondContact O-CG 3.25Å; L349-E353 PolarHBondContact O-N 2.74Å; L349-W525 HydrophobicContact CD1-CH2 4.26Å
350K56.5Low62Low152 Ų15286.3 Ų86.366%0.66141%0.407SS*.Hα-helixtrans-58.2-37.6173.5-73.6-174.6177.9-177.30112.1R354K350-R354 VanDerWaalsContact O-CB 3.28Å; K350-R354 WeakPolarHBondContact O-CB 3.48Å; K350-R354 WeakPolarHBondContact O-CG 3.22Å; K350-R354 PolarHBondContact O-N 3.31Å
351L57.7Low59.9Low73 Ų7395.1 Ų95.138%0.38244%0.44SS..Hα-helixtrans-70.6-42.8177.5-129123.3000112.1K347 L348 L349 R354 L355K347-L351 PolarHBondContact O-N 2.94Å; L348-L351 PolarHBondContact O-N 3.27Å; L349-L351 PolarHBondContact O-N 2.85Å; L351-R354 PolarHBondContact O-N 2.95Å; L351-L355 HydrophobicContact CD2-CD1 4.08Å; L351-L355 WeakPolarHBondContact O-CB 3.26Å; L351-L355 VanDerWaalsContact O-CG 3.29Å; L351-L355 WeakPolarHBondContact O-CG 2.99Å; L351-L355 PolarHBondContact O-N 3.43Å
352R58Low57.9Low103 Ų103101.2 Ų101.239%0.38947%0.467SS..Hα-helixtrans-66.4-41.2175.4-176.6174.4168.7164.8-6.4111.5L348 L349 L355 A356 F541L348-R352 WeakPolarHBondContact O-CB 3.42Å; L348-R352 PolarHBondContact O-N 2.57Å; L349-R352 PolarHBondContact O-N 2.8Å; R352-L355 PolarHBondContact O-N 3.38Å; R352-A356 VanDerWaalsContact O-CB 3.28Å; R352-A356 WeakPolarHBondContact O-CB 3.36Å; R352-A356 PolarHBondContact O-N 3.24Å; R352-F541 PolarHBondContact NH1-O 2.75Å
353E61.7Low56.7Low82 Ų82101.9 Ų101.938%0.38348%0.477SS..Hα-helixtrans-64.3-39.6172.7-74.8176.6-162.500111.9L349 R357L349-E353 WeakPolarHBondContact O-CB 3.08Å; L349-E353 WeakPolarHBondContact O-CG 3.25Å; L349-E353 PolarHBondContact O-N 2.74Å; E353-R357 VanDerWaalsContact O-CB 3.25Å; E353-R357 WeakPolarHBondContact O-CB 3.21Å; E353-R357 WeakPolarHBondContact O-CG 3.49Å; E353-R357 PolarHBondContact O-N 3.17Å; E353-R357 PolarHBondContact O-NE 2.64Å; E353-R357 IonicContact OE2-NH2 2.92Å; E353-R357 PolarHBondContact OE2-NH2 2.98Å
354R60Low56.4Low140 Ų140108.1 Ų108.153%0.52850%0.498SS..Hα-helixtrans-65-43.2172.9-88.5-179.4164.4172.2-3.1111.4K350 L351 R357 Q358 E452K350-R354 VanDerWaalsContact O-CB 3.28Å; K350-R354 WeakPolarHBondContact O-CB 3.48Å; K350-R354 WeakPolarHBondContact O-CG 3.22Å; K350-R354 PolarHBondContact O-N 3.31Å; L351-R354 PolarHBondContact O-N 2.95Å; R354-R357 CarbonylContact O-C 3.55Å; R354-R357 PolarHBondContact O-N 3.4Å; R354-Q358 WeakPolarHBondContact O-CB 3.49Å; R354-Q358 WeakPolarHBondContact O-CG 3.47Å; R354-Q358 PolarHBondContact O-N 3.19Å; R354-E452 IonicContact CZ-OE1 2.98Å; R354-E452 IonicContact NH1-OE1 3.02Å; R354-E452 PolarHBondContact NH1-OE1 3.32Å; R354-E452 IonicContact NH1-OE2 3.38Å
355L60.1Low56.9Low89 Ų89106.3 Ų106.347%0.46649%0.49SS..Hα-helixtrans-66.3-41.7178-78.7164.3000112L351 R352 Q358 Q359L351-L355 HydrophobicContact CD2-CD1 4.08Å; L351-L355 WeakPolarHBondContact O-CB 3.26Å; L351-L355 VanDerWaalsContact O-CG 3.29Å; L351-L355 WeakPolarHBondContact O-CG 2.99Å; L351-L355 PolarHBondContact O-N 3.43Å; R352-L355 PolarHBondContact O-N 3.38Å; L355-Q358 CarbonylContact O-C 3.55Å; L355-Q358 PolarHBondContact O-N 3.16Å; L355-Q359 WeakPolarHBondContact O-CB 3.23Å; L355-Q359 PolarHBondContact O-N 3.1Å
356A59.3Low57.6Low43 Ų43105 Ų10536%0.35549%0.494SS..Hα-helixtrans-62.8-46.3173.600000110.9R352 Q358 Q359 E360R352-A356 VanDerWaalsContact O-CB 3.28Å; R352-A356 WeakPolarHBondContact O-CB 3.36Å; R352-A356 PolarHBondContact O-N 3.24Å; A356-Q358 VanDerWaalsContact C-N 3.27Å; A356-Q358 PolarHBondContact O-N 3.18Å; A356-Q359 PolarHBondContact O-N 2.86Å; A356-E360 PolarHBondContact O-N 3.23Å
357R59.9Low58.8Low135 Ų135108 Ų10851%0.50950%0.495SS..Hα-helixtrans-62-32173.1-74.1-177.1-113.6-148.2-0.4112.8E353 R354 R361E353-R357 VanDerWaalsContact O-CB 3.25Å; E353-R357 WeakPolarHBondContact O-CB 3.21Å; E353-R357 WeakPolarHBondContact O-CG 3.49Å; E353-R357 PolarHBondContact O-N 3.17Å; E353-R357 PolarHBondContact O-NE 2.64Å; E353-R357 IonicContact OE2-NH2 2.92Å; E353-R357 PolarHBondContact OE2-NH2 2.98Å; R354-R357 CarbonylContact O-C 3.55Å; R354-R357 PolarHBondContact O-N 3.4Å; R357-R361 WeakPolarHBondContact O-CB 3.36Å; R357-R361 VanDerWaalsContact O-CG 3.27Å; R357-R361 WeakPolarHBondContact O-CG 3.49Å; R357-R361 PolarHBondContact O-N 2.94Å
358Q55.5Low60.3Low113 Ų113101.3 Ų101.353%0.52847%0.466SS..Hα-helixtrans-75.6-38.7174.7-81.8-178.8-17.700112.4R354 L355 A356 E360 R361 F362R354-Q358 WeakPolarHBondContact O-CB 3.49Å; R354-Q358 WeakPolarHBondContact O-CG 3.47Å; R354-Q358 PolarHBondContact O-N 3.19Å; L355-Q358 CarbonylContact O-C 3.55Å; L355-Q358 PolarHBondContact O-N 3.16Å; A356-Q358 VanDerWaalsContact C-N 3.27Å; A356-Q358 PolarHBondContact O-N 3.18Å; Q358-E360 VanDerWaalsContact C-N 3.35Å; Q358-R361 PolarHBondContact O-N 3.38Å; Q358-F362 WeakPolarHBondContact O-CB 3.4Å; Q358-F362 PolarHBondContact O-N 3.37Å
359Q52.5Low61.8Low151 Ų151104.9 Ų104.971%0.70648%0.482SS*.Hα-helixtrans-63.2-41.2173.2-91179.6-38.400111.4L355 A356 F362 S363L355-Q359 WeakPolarHBondContact O-CB 3.23Å; L355-Q359 PolarHBondContact O-N 3.1Å; A356-Q359 PolarHBondContact O-N 2.86Å; Q359-F362 PolarHBondContact O-N 3.24Å; Q359-S363 PolarHBondContact O-N 3Å
360E50.9Low63.1Low159 Ų159109.4 Ų109.474%0.74350%0.499SS*.Hα-helixtrans-65-36.8172-75.4179.816800112.3A356 Q358A356-E360 PolarHBondContact O-N 3.23Å; Q358-E360 VanDerWaalsContact C-N 3.35Å
361R50.3Low64.5Low185 Ų185105.1 Ų105.170%0.69848%0.481SS*.Hα-helixtrans-77.6-19.9178.4-78.1178.3-173.1-169.41114.7R357 Q358R357-R361 WeakPolarHBondContact O-CB 3.36Å; R357-R361 VanDerWaalsContact O-CG 3.27Å; R357-R361 WeakPolarHBondContact O-CG 3.49Å; R357-R361 PolarHBondContact O-N 2.94Å; Q358-R361 PolarHBondContact O-N 3.38Å
362F51Low65.9Low131 Ų131101.9 Ų101.958%0.57546%0.464SS*.Hα-helixtrans-142.126.9-167.9-69.2-77000117Q358 Q359 K364Q358-F362 WeakPolarHBondContact O-CB 3.4Å; Q358-F362 PolarHBondContact O-N 3.37Å; Q359-F362 PolarHBondContact O-N 3.24Å; F362-K364 PolarHBondContact O-N 2.87Å; F362-K364 VanDerWaalsContact O-N 3.07Å
363S61.8Low67.3Low51 Ų5199.7 Ų99.736%0.35747%0.474SS..  trans-59.6116157.2158.90000108.5Q359 D365 A366 R367Q359-S363 PolarHBondContact O-N 3Å; S363-D365 PolarHBondContact O-N 3.24Å; S363-D365 VanDerWaalsContact O-N 3.15Å; S363-D365 PolarHBondContact OG-N 2.63Å; S363-A366 PolarHBondContact O-N 3.36Å; S363-A366 PolarHBondContact OG-N 3.11Å; S363-R367 PolarHBondContact O-N 3.34Å
364K66.7Low68.5Low151 Ų151100 Ų10066%0.65747%0.474SS*.Hα-helixtrans-50.2-38.4175.1178.6179.2176.5178.90110.3F362 I368F362-K364 PolarHBondContact O-N 2.87Å; F362-K364 VanDerWaalsContact O-N 3.07Å; K364-I368 HydrophobicContact CG-CD1 3.82Å; K364-I368 WeakPolarHBondContact O-CB 3.28Å; K364-I368 WeakPolarHBondContact O-CD1 2.93Å; K364-I368 WeakPolarHBondContact O-CG1 3.37Å; K364-I368 PolarHBondContact O-N 3.33Å
365D71.1Confident69.8Low45 Ų4599.5 Ų99.524%0.24149%0.486CS..Hα-helixtrans-69.6-39.5178.5-66.7-34.4000111.8S363 I368 Q369 R396 R398S363-D365 PolarHBondContact O-N 3.24Å; S363-D365 VanDerWaalsContact O-N 3.15Å; S363-D365 PolarHBondContact OG-N 2.63Å; D365-I368 PolarHBondContact O-N 3.47Å; D365-Q369 VanDerWaalsContact O-CB 3.29Å; D365-Q369 WeakPolarHBondContact O-CB 3.28Å; D365-Q369 PolarHBondContact O-N 2.95Å; D365-R396 IonicContact OD2-CZ 3.29Å; D365-R396 IonicContact OD2-NE 3.95Å; D365-R396 IonicContact OD2-NH1 2.86Å; D365-R396 PolarHBondContact OD2-NH1 2.91Å; D365-R398 IonicContact OD1-CZ 3Å; D365-R398 IonicContact OD1-NH1 2.79Å; D365-R398 PolarHBondContact OD1-NH1 2.98Å; D365-R398 IonicContact OD1-NH2 3.88Å
366A69.3Low71.1Confident44 Ų44100.7 Ų100.736%0.36449%0.489SS..Hα-helixtrans-67.9-37.6175.100000112.9S363 Q369 K370S363-A366 PolarHBondContact O-N 3.36Å; S363-A366 PolarHBondContact OG-N 3.11Å; A366-Q369 PolarHBondContact O-N 3.4Å; A366-K370 PolarHBondContact O-N 3.27Å
367R75.4Confident72.5Confident147 Ų14799.8 Ų99.856%0.55548%0.478SS*.Hα-helixtrans-64.3-48.1173.1-72.5178.668.9-176.84.6110.8S363 Q369 K370 E371S363-R367 PolarHBondContact O-N 3.34Å; R367-Q369 VanDerWaalsContact C-N 3.32Å; R367-Q369 PolarHBondContact O-N 3.16Å; R367-K370 PolarHBondContact O-N 2.73Å; R367-E371 WeakPolarHBondContact O-CG 3.39Å; R367-E371 PolarHBondContact O-N 3.31Å
368I82.2Confident73.8Confident21 Ų2197 Ų9711%0.10847%0.47CS..Hα-helixtrans-60.8-43.5176.9-68.6167.6000110.2K364 D365 K370 E371 C372 W397 I399K364-I368 HydrophobicContact CG-CD1 3.82Å; K364-I368 WeakPolarHBondContact O-CB 3.28Å; K364-I368 WeakPolarHBondContact O-CD1 2.93Å; K364-I368 WeakPolarHBondContact O-CG1 3.37Å; K364-I368 PolarHBondContact O-N 3.33Å; D365-I368 PolarHBondContact O-N 3.47Å; I368-K370 VanDerWaalsContact C-N 3.32Å; I368-K370 PolarHBondContact O-N 3.37Å; I368-E371 PolarHBondContact O-N 2.98Å; I368-C372 VanDerWaalsContact O-CB 3.31Å; I368-C372 WeakPolarHBondContact O-CB 3.38Å; I368-C372 PolarHBondContact O-N 3.33Å; I368-C372 PolarHBondContact O-SG 3.42Å; I368-W397 HydrophobicContact CG2-CB 3.67Å; I368-W397 WeakPolarHBondContact CG2-O 3.38Å; I368-I399 HydrophobicContact CG2-CD1 4.49Å; I368-I399 HydrophobicContact CG2-CG1 4.14Å
369Q82.6Confident75.2Confident120 Ų12094.4 Ų94.456%0.56146%0.463SS*.Hα-helixtrans-60.8-39.3178.2-173.8172.99.700112.7D365 A366 R367 G373D365-Q369 VanDerWaalsContact O-CB 3.29Å; D365-Q369 WeakPolarHBondContact O-CB 3.28Å; D365-Q369 PolarHBondContact O-N 2.95Å; A366-Q369 PolarHBondContact O-N 3.4Å; R367-Q369 VanDerWaalsContact C-N 3.32Å; R367-Q369 PolarHBondContact O-N 3.16Å; Q369-G373 PolarHBondContact O-N 2.71Å
370K83.6Confident76.8Confident163 Ų16391.6 Ų91.671%0.70946%0.458SS*.Hα-helixtrans-65.6-44.6174.5-173.2179.8179.3-179.30112.2A366 R367 I368 G373A366-K370 PolarHBondContact O-N 3.27Å; R367-K370 PolarHBondContact O-N 2.73Å; I368-K370 VanDerWaalsContact C-N 3.32Å; I368-K370 PolarHBondContact O-N 3.37Å; K370-G373 PolarHBondContact O-N 2.87Å
371E85.4Confident78.4Confident62 Ų6286.2 Ų86.229%0.2944%0.438SS..Hα-helixtrans-63.8-42.5176.1-65.2-55.6135.400111.3R367 I368 G373 K374 F377 I399R367-E371 WeakPolarHBondContact O-CG 3.39Å; R367-E371 PolarHBondContact O-N 3.31Å; I368-E371 PolarHBondContact O-N 2.98Å; E371-G373 PolarHBondContact O-N 2.87Å; E371-G373 VanDerWaalsContact O-N 3.08Å; E371-K374 WeakPolarHBondContact O-CB 3.47Å; E371-K374 PolarHBondContact O-N 2.91Å; E371-K374 IonicContact OE1-NZ 3.58Å; E371-K374 VanDerWaalsContact OE2-CE 3.23Å; E371-K374 WeakPolarHBondContact OE2-CE 3.21Å; E371-K374 IonicContact OE2-NZ 2.67Å; E371-K374 PolarHBondContact OE2-NZ 3.43Å; E371-F377 HydrophobicContact CB-CD2 4.42Å; E371-F377 HydrophobicContact CB-CE2 4.29Å; E371-F377 WeakPolarHBondContact O-CD2 3.28Å; E371-I399 HydrophobicContact CB-CD1 4.43Å
372C87.6Confident80Confident4 Ų484.6 Ų84.63%0.02744%0.436CS..THydrogen-bonded Turntrans-65.7-7.8175-63.90000114.3I368 Q378 C389 W397I368-C372 VanDerWaalsContact O-CB 3.31Å; I368-C372 WeakPolarHBondContact O-CB 3.38Å; I368-C372 PolarHBondContact O-N 3.33Å; I368-C372 PolarHBondContact O-SG 3.42Å; C372-Q378 PolarHBondContact O-NE2 3.46Å; C372-C389 WeakPolarHBondContact CA-SG 3.34Å; C372-C389 HydrophobicContact CB-CB 3.5Å; C372-C389 WeakPolarHBondContact CB-SG 3.49Å; C372-C389 WeakPolarHBondContact SG-CB 3.36Å; C372-C389 CovalentContact SG-SG 2.02Å; C372-C389 PolarHBondContact SG-SG 2.89Å; C372-W397 HydrophobicContact CB-CD2 4.01Å; C372-W397 HydrophobicContact CB-CE3 3.92Å; C372-W397 HydrophobicContact CB-CG 4.37Å; C372-W397 HydrophobicContact CB-CZ3 4.35Å
373G85.5Confident81.2Confident58 Ų5882.8 Ų82.860%0.59845%0.454SS*.THydrogen-bonded Turntrans-83.8-15.6170.200000113.7Q369 K370 E371Q369-G373 PolarHBondContact O-N 2.71Å; K370-G373 PolarHBondContact O-N 2.87Å; E371-G373 PolarHBondContact O-N 2.87Å; E371-G373 VanDerWaalsContact O-N 3.08Å
374K88.4Confident82Confident87 Ų8786 Ų8638%0.37848%0.476SS..SBendtrans-78.3149.3178.8-58.2175.8176.4173.40111E371 E376 F377E371-K374 WeakPolarHBondContact O-CB 3.47Å; E371-K374 PolarHBondContact O-N 2.91Å; E371-K374 IonicContact OE1-NZ 3.58Å; E371-K374 VanDerWaalsContact OE2-CE 3.23Å; E371-K374 WeakPolarHBondContact OE2-CE 3.21Å; E371-K374 IonicContact OE2-NZ 2.67Å; E371-K374 PolarHBondContact OE2-NZ 3.43Å; K374-E376 HydrophobicContact CB-CG 4.05Å; K374-E376 HydrophobicContact CD-CG 4.47Å; K374-E376 WeakPolarHBondContact CD-OE1 3.37Å; K374-E376 IonicContact NZ-OE1 3.59Å; K374-E376 PolarHBondContact O-N 2.98Å; K374-F377 HydrophobicContact CB-CD2 4.18Å; K374-F377 HydrophobicContact CD-CD2 4.39Å; K374-F377 HydrophobicContact CD-CE2 4.31Å; K374-F377 PolarHBondContact O-N 2.82Å; K374-F377 VanDerWaalsContact O-N 3.17Å
375V87.1Confident82.8Confident130 Ų13080.2 Ų80.279%0.78845%0.452SS*.G310 helixtrans-59.1-35.5-178.8179.80000112.1F377 Q378V375-F377 PolarHBondContact O-N 3.3Å; V375-Q378 PolarHBondContact O-N 3.27Å
376E87.4Confident83.4Confident114 Ų11483.6 Ų83.653%0.53347%0.469SS..G310 helixtrans-67.4-11.5-179.469.5-167.1175.700114.8K374 Q385 W387K374-E376 HydrophobicContact CB-CG 4.05Å; K374-E376 HydrophobicContact CD-CG 4.47Å; K374-E376 WeakPolarHBondContact CD-OE1 3.37Å; K374-E376 IonicContact NZ-OE1 3.59Å; K374-E376 PolarHBondContact O-N 2.98Å; E376-Q385 VanDerWaalsContact O-CG 3.3Å; E376-Q385 WeakPolarHBondContact O-CG 3.37Å; E376-Q385 PolarHBondContact O-NE2 2.97Å; E376-W387 VanDerWaalsContact O-O 3.08Å
377F88.3Confident84.3Confident25 Ų2587 Ų8711%0.1147%0.473CS..G310 helixtrans-113.80.6177.3-68-80.5000113E371 K374 V375 W387 E388 C389 I399E371-F377 HydrophobicContact CB-CD2 4.42Å; E371-F377 HydrophobicContact CB-CE2 4.29Å; E371-F377 WeakPolarHBondContact O-CD2 3.28Å; K374-F377 HydrophobicContact CB-CD2 4.18Å; K374-F377 HydrophobicContact CD-CD2 4.39Å; K374-F377 HydrophobicContact CD-CE2 4.31Å; K374-F377 PolarHBondContact O-N 2.82Å; K374-F377 VanDerWaalsContact O-N 3.17Å; V375-F377 PolarHBondContact O-N 3.3Å; F377-W387 HydrophobicContact CD1-CB 3.7Å; F377-W387 HydrophobicContact CE1-CB 3.56Å; F377-W387 HydrophobicContact CE1-CG 4.1Å; F377-E388 CarbonylContact O-C 3.48Å; F377-C389 HydrophobicContact CB-CB 4.39Å; F377-C389 WeakPolarHBondContact O-CB 3.48Å; F377-C389 PolarHBondContact O-N 3.01Å; F377-I399 HydrophobicContact CD1-CG2 4Å; F377-I399 HydrophobicContact CE1-CD1 4.23Å; F377-I399 HydrophobicContact CE1-CG2 3.88Å
378Q87.4Confident85.1Confident75 Ų7580.6 Ų80.635%0.3545%0.449SS..PPolyproline II helixtrans-72137-178.4-67.8-58.2-33.200111.7C372 V375 Q385C372-Q378 PolarHBondContact O-NE2 3.46Å; V375-Q378 PolarHBondContact O-N 3.27Å; Q378-Q385 PolarHBondContact O-NE2 3.39Å
379P85.1Confident85.5Confident59 Ų5979.6 Ų79.638%0.38344%0.444SS..SBendtrans-78.9155.6170.532.4-33.6000111.6
380P85.9Confident85.8Confident92 Ų9280.1 Ų80.160%0.59744%0.441SS*.SBendcis-74.7158.7-9.632.5-34.4000111.3K382P380-K382 WeakPolarHBondContact O-CG 3.36Å; P380-K382 PolarHBondContact O-N 2.59Å
381C84.8Confident85.9Confident47 Ų4777 Ų7732%0.31843%0.428SS..PPolyproline II helixtrans-49.5127.8173.3-65.80000112.4C402C381-C402 HydrophobicContact CB-CB 3.68Å; C381-C402 WeakPolarHBondContact CB-SG 3.24Å; C381-C402 WeakPolarHBondContact SG-CA 3.28Å; C381-C402 WeakPolarHBondContact SG-CB 3.42Å; C381-C402 CovalentContact SG-SG 2.03Å; C381-C402 PolarHBondContact SG-SG 3.25Å
382K82.6Confident85.7Confident150 Ų15076.7 Ų76.765%0.65243%0.428SS*.  trans-119.4130.9179.8-67.7175-172.6177.90112.1P380 S384 Q385P380-K382 WeakPolarHBondContact O-CG 3.36Å; P380-K382 PolarHBondContact O-N 2.59Å; K382-S384 PolarHBondContact O-N 3.01Å; K382-Q385 WeakPolarHBondContact O-CB 3.42Å; K382-Q385 PolarHBondContact O-N 3.34Å
383G77.2Confident85.4Confident94 Ų9486.3 Ų86.397%0.96947%0.472SS*.THydrogen-bonded Turntrans54.9-120.3170.300000113.6Q385G383-Q385 VanDerWaalsContact C-N 3.3Å; G383-Q385 PolarHBondContact O-N 2.99Å
384S79.5Confident85.2Confident117 Ų11788.6 Ų88.682%0.81847%0.474SS*.THydrogen-bonded Turntrans-85.810.9179.255.70000114.6K382 L386K382-S384 PolarHBondContact O-N 3.01Å; S384-L386 PolarHBondContact O-N 3.07Å
385Q81.9Confident84.7Confident31 Ų3189.6 Ų89.615%0.14548%0.484CS..  trans-61.3124.6179.1-175.6176.3-3.200111.1E376 Q378 K382 G383 W387 C402E376-Q385 VanDerWaalsContact O-CG 3.3Å; E376-Q385 WeakPolarHBondContact O-CG 3.37Å; E376-Q385 PolarHBondContact O-NE2 2.97Å; Q378-Q385 PolarHBondContact O-NE2 3.39Å; K382-Q385 WeakPolarHBondContact O-CB 3.42Å; K382-Q385 PolarHBondContact O-N 3.34Å; G383-Q385 VanDerWaalsContact C-N 3.3Å; G383-Q385 PolarHBondContact O-N 2.99Å; Q385-W387 VanDerWaalsContact CG-O 3.27Å; Q385-W387 WeakPolarHBondContact CG-O 3.48Å; Q385-W387 PolarHBondContact NE2-O 2.86Å; Q385-C402 WeakPolarHBondContact O-CB 3.45Å
386L83.9Confident84.4Confident115 Ų11589.3 Ų89.360%0.60247%0.469SS*.  trans-87.6-26.1-177.2-67.6174.3000113.4S384 K401 C402S384-L386 PolarHBondContact O-N 3.07Å; L386-K401 WeakPolarHBondContact O-CA 3.07Å; L386-K401 WeakPolarHBondContact O-CG 3.32Å; L386-C402 PolarHBondContact O-N 3.22Å
387W88.7Confident84.2Confident116 Ų11687.2 Ų87.244%0.43946%0.456SS..EExtended strand (participates in β ladder)trans-139.6145.1-171-55.6100.1000111.6E376 F377 Q385 I399 F400 K401 C402E376-W387 VanDerWaalsContact O-O 3.08Å; F377-W387 HydrophobicContact CD1-CB 3.7Å; F377-W387 HydrophobicContact CE1-CB 3.56Å; F377-W387 HydrophobicContact CE1-CG 4.1Å; Q385-W387 VanDerWaalsContact CG-O 3.27Å; Q385-W387 WeakPolarHBondContact CG-O 3.48Å; Q385-W387 PolarHBondContact NE2-O 2.86Å; W387-I399 HydrophobicContact CB-CG2 3.81Å; W387-I399 HydrophobicContact CD2-CG2 4.22Å; W387-I399 HydrophobicContact CE3-CG2 3.9Å; W387-I399 HydrophobicContact CG-CG2 4.2Å; W387-F400 CarbonylContact C-O 3.4Å; W387-F400 WeakPolarHBondContact CA-O 3.27Å; W387-K401 HydrophobicContact CE3-CB 3.9Å; W387-K401 HydrophobicContact CE3-CG 4.37Å; W387-K401 HydrophobicContact CH2-CB 4.32Å; W387-K401 HydrophobicContact CH2-CG 4.43Å; W387-K401 HydrophobicContact CZ3-CB 3.67Å; W387-K401 HydrophobicContact CZ3-CG 4.19Å; W387-C402 VanDerWaalsContact C-SG 3.54Å
388E91.2Very high84.1Confident13 Ų1389.2 Ų89.26%0.06146%0.463CS..EExtended strand (participates in β ladder)trans-128.8151.817362.7178.3166.400110.2F377 R390 I399 F400F377-E388 CarbonylContact O-C 3.48Å; E388-R390 VanDerWaalsContact CD-CZ 3.46Å; E388-R390 IonicContact OE1-CZ 2.99Å; E388-R390 IonicContact OE1-NE 3.01Å; E388-R390 PolarHBondContact OE1-NE 2.96Å; E388-R390 IonicContact OE1-NH1 2.62Å; E388-R390 IonicContact OE1-NH2 3.07Å; E388-R390 PolarHBondContact OE1-NH2 2.92Å; E388-R390 IonicContact OE2-CZ 3.59Å; E388-R390 VanDerWaalsContact OE2-CZ 3.31Å; E388-R390 IonicContact OE2-NE 3.03Å; E388-R390 PolarHBondContact OE2-NE 3.29Å; E388-R390 IonicContact OE2-NH2 2.86Å; E388-R390 PolarHBondContact OE2-NH2 2.94Å; E388-I399 CarbonylContact O-C 3.54Å; E388-I399 WeakPolarHBondContact O-CA 3.46Å; E388-F400 HydrophobicContact CG-CB 3.99Å; E388-F400 PolarHBondContact N-O 3.33Å; E388-F400 PolarHBondContact O-N 2.6Å
389C92Very high84.1Confident0 Ų088.7 Ų88.70%046%0.461CS..EExtended strand (participates in β ladder)trans-101.2132.4173.6-83.90000111.3C372 F377 W397 R398C372-C389 WeakPolarHBondContact CA-SG 3.34Å; C372-C389 HydrophobicContact CB-CB 3.5Å; C372-C389 WeakPolarHBondContact CB-SG 3.49Å; C372-C389 WeakPolarHBondContact SG-CB 3.36Å; C372-C389 CovalentContact SG-SG 2.02Å; C372-C389 PolarHBondContact SG-SG 2.89Å; F377-C389 HydrophobicContact CB-CB 4.39Å; F377-C389 WeakPolarHBondContact O-CB 3.48Å; F377-C389 PolarHBondContact O-N 3.01Å; C389-W397 HydrophobicContact CB-CE3 3.73Å; C389-W397 HydrophobicContact CB-CZ3 3.77Å; C389-R398 WeakPolarHBondContact CA-O 3.37Å
390R87.9Confident84.2Confident130 Ų13090.1 Ų90.149%0.49146%0.462SS..EExtended strand (participates in β ladder)trans-136.5151.6172.2-55.3179.1179.2-175.10.6109.8E388 R398 F400E388-R390 VanDerWaalsContact CD-CZ 3.46Å; E388-R390 IonicContact OE1-CZ 2.99Å; E388-R390 IonicContact OE1-NE 3.01Å; E388-R390 PolarHBondContact OE1-NE 2.96Å; E388-R390 IonicContact OE1-NH1 2.62Å; E388-R390 IonicContact OE1-NH2 3.07Å; E388-R390 PolarHBondContact OE1-NH2 2.92Å; E388-R390 IonicContact OE2-CZ 3.59Å; E388-R390 VanDerWaalsContact OE2-CZ 3.31Å; E388-R390 IonicContact OE2-NE 3.03Å; E388-R390 PolarHBondContact OE2-NE 3.29Å; E388-R390 IonicContact OE2-NH2 2.86Å; E388-R390 PolarHBondContact OE2-NH2 2.94Å; R390-R398 PolarHBondContact N-O 2.71Å; R390-R398 PolarHBondContact O-N 2.9Å; R390-F400 HydrophobicContact CB-CD2 3.88Å; R390-F400 HydrophobicContact CB-CE2 3.71Å; R390-F400 HydrophobicContact CG-CD2 4.1Å; R390-F400 HydrophobicContact CG-CE2 4.39Å
391K86.2Confident84.2Confident99 Ų9992.4 Ų92.443%0.4346%0.463SS..EExtended strand (participates in β ladder)trans-80.4141.5169.9-65.2-164.3-177-176.10109.9D395 R396 W397K391-D395 WeakPolarHBondContact CD-OD1 3.35Å; K391-D395 WeakPolarHBondContact CE-OD1 3.48Å; K391-D395 IonicContact NZ-OD1 2.74Å; K391-D395 PolarHBondContact NZ-OD1 2.97Å; K391-D395 IonicContact NZ-OD2 2.82Å; K391-D395 PolarHBondContact NZ-OD2 3.31Å; K391-R396 WeakPolarHBondContact CA-O 3.47Å; K391-W397 HydrophobicContact CG-CD2 4.08Å; K391-W397 HydrophobicContact CG-CE3 4.18Å; K391-W397 HydrophobicContact CG-CZ3 4.46Å
392N81.3Confident84Confident55 Ų5590.9 Ų90.929%0.29445%0.452SS..  trans-83.4-179.417271.7-5.9000111.5V394 D395 R396 R398N392-V394 PolarHBondContact O-N 3.33Å; N392-V394 PolarHBondContact OD1-N 3.48Å; N392-V394 VanDerWaalsContact OD1-N 3.16Å; N392-D395 PolarHBondContact O-N 3.46Å; N392-D395 PolarHBondContact OD1-N 3.16Å; N392-R396 PolarHBondContact N-O 2.75Å; N392-R396 WeakPolarHBondContact OD1-CB 3.49Å; N392-R396 PolarHBondContact OD1-N 3.35Å; N392-R396 PolarHBondContact OD1-O 2.81Å; N392-R398 HydrophobicContact CB-CG 4.34Å
393E81.4Confident83.6Confident206 Ų20695.4 Ų95.496%0.96347%0.465SS*.THydrogen-bonded Turntrans-57.3-14.3178.9-62.2173.9-173.800114.7
394V80.6Confident82.6Confident105 Ų10593.7 Ų93.764%0.63645%0.448SS*.THydrogen-bonded Turntrans-111.523.9-179.6-154.30000111.3N392 R396N392-V394 PolarHBondContact O-N 3.33Å; N392-V394 PolarHBondContact OD1-N 3.48Å; N392-V394 VanDerWaalsContact OD1-N 3.16Å; V394-R396 PolarHBondContact O-N 2.9Å
395D78.5Confident80.9Confident108 Ų10896.6 Ų96.658%0.57845%0.454SS*.SBendtrans58.324.4178.4-153.950.3000115.3K391 N392K391-D395 WeakPolarHBondContact CD-OD1 3.35Å; K391-D395 WeakPolarHBondContact CE-OD1 3.48Å; K391-D395 IonicContact NZ-OD1 2.74Å; K391-D395 PolarHBondContact NZ-OD1 2.97Å; K391-D395 IonicContact NZ-OD2 2.82Å; K391-D395 PolarHBondContact NZ-OD2 3.31Å; N392-D395 PolarHBondContact O-N 3.46Å; N392-D395 PolarHBondContact OD1-N 3.16Å
396R80.5Confident79Confident125 Ų125101.7 Ų101.747%0.47249%0.487SS..  trans-101.1135.7176.6-61.6-167.7-172.3-168.38.4112.2D365 K391 N392 V394D365-R396 IonicContact OD2-CZ 3.29Å; D365-R396 IonicContact OD2-NE 3.95Å; D365-R396 IonicContact OD2-NH1 2.86Å; D365-R396 PolarHBondContact OD2-NH1 2.91Å; K391-R396 WeakPolarHBondContact CA-O 3.47Å; N392-R396 PolarHBondContact N-O 2.75Å; N392-R396 WeakPolarHBondContact OD1-CB 3.49Å; N392-R396 PolarHBondContact OD1-N 3.35Å; N392-R396 PolarHBondContact OD1-O 2.81Å; V394-R396 PolarHBondContact O-N 2.9Å
397W83.4Confident76.7Confident69 Ų6999.3 Ų99.326%0.26149%0.49SS..EExtended strand (participates in β ladder)trans-61.9137.4174.4-71.3106.1000112.6I368 C372 C389 K391I368-W397 HydrophobicContact CG2-CB 3.67Å; I368-W397 WeakPolarHBondContact CG2-O 3.38Å; C372-W397 HydrophobicContact CB-CD2 4.01Å; C372-W397 HydrophobicContact CB-CE3 3.92Å; C372-W397 HydrophobicContact CB-CG 4.37Å; C372-W397 HydrophobicContact CB-CZ3 4.35Å; C389-W397 HydrophobicContact CB-CE3 3.73Å; C389-W397 HydrophobicContact CB-CZ3 3.77Å; K391-W397 HydrophobicContact CG-CD2 4.08Å; K391-W397 HydrophobicContact CG-CE3 4.18Å; K391-W397 HydrophobicContact CG-CZ3 4.46Å
398R86.1Confident73.9Confident67 Ų67103.4 Ų103.425%0.25351%0.511SS..EExtended strand (participates in β ladder)trans-140.2146.7174.2-65.5-65.6177.8-109.66.2109.1D365 C389 R390 N392 F400D365-R398 IonicContact OD1-CZ 3Å; D365-R398 IonicContact OD1-NH1 2.79Å; D365-R398 PolarHBondContact OD1-NH1 2.98Å; D365-R398 IonicContact OD1-NH2 3.88Å; C389-R398 WeakPolarHBondContact CA-O 3.37Å; R390-R398 PolarHBondContact N-O 2.71Å; R390-R398 PolarHBondContact O-N 2.9Å; N392-R398 HydrophobicContact CB-CG 4.34Å; R398-F400 HydrophobicContact CB-CD2 4.35Å; R398-F400 HydrophobicContact CB-CE2 3.53Å; R398-F400 HydrophobicContact CB-CZ 3.83Å; R398-F400 WeakPolarHBondContact O-CD2 3.43Å
399I87.5Confident71.2Confident64 Ų64110.1 Ų110.133%0.32855%0.547SS..EExtended strand (participates in β ladder)trans-98127.2178.2-57.7171.6000107.8I368 E371 F377 W387 E388I368-I399 HydrophobicContact CG2-CD1 4.49Å; I368-I399 HydrophobicContact CG2-CG1 4.14Å; E371-I399 HydrophobicContact CB-CD1 4.43Å; F377-I399 HydrophobicContact CD1-CG2 4Å; F377-I399 HydrophobicContact CE1-CD1 4.23Å; F377-I399 HydrophobicContact CE1-CG2 3.88Å; W387-I399 HydrophobicContact CB-CG2 3.81Å; W387-I399 HydrophobicContact CD2-CG2 4.22Å; W387-I399 HydrophobicContact CE3-CG2 3.9Å; W387-I399 HydrophobicContact CG-CG2 4.2Å; E388-I399 CarbonylContact O-C 3.54Å; E388-I399 WeakPolarHBondContact O-CA 3.46Å
400F86.6Confident68.6Low90 Ų90118.3 Ų118.340%0.39559%0.585SS.*EExtended strand (participates in β ladder)trans-118.9149.7179.4-63.1-89.2000109.7W387 E388 R390 R398W387-F400 CarbonylContact C-O 3.4Å; W387-F400 WeakPolarHBondContact CA-O 3.27Å; E388-F400 HydrophobicContact CG-CB 3.99Å; E388-F400 PolarHBondContact N-O 3.33Å; E388-F400 PolarHBondContact O-N 2.6Å; R390-F400 HydrophobicContact CB-CD2 3.88Å; R390-F400 HydrophobicContact CB-CE2 3.71Å; R390-F400 HydrophobicContact CG-CD2 4.1Å; R390-F400 HydrophobicContact CG-CE2 4.39Å; R398-F400 HydrophobicContact CB-CD2 4.35Å; R398-F400 HydrophobicContact CB-CE2 3.53Å; R398-F400 HydrophobicContact CB-CZ 3.83Å; R398-F400 WeakPolarHBondContact O-CD2 3.43Å
401K86.1Confident66Low140 Ų140121.4 Ų121.461%0.60961%0.605SS**EExtended strand (participates in β ladder)trans-78.6128.9176.5-167.9179.2179.6-178.30109.4L386 W387 R403L386-K401 WeakPolarHBondContact O-CA 3.07Å; L386-K401 WeakPolarHBondContact O-CG 3.32Å; W387-K401 HydrophobicContact CE3-CB 3.9Å; W387-K401 HydrophobicContact CE3-CG 4.37Å; W387-K401 HydrophobicContact CH2-CB 4.32Å; W387-K401 HydrophobicContact CH2-CG 4.43Å; W387-K401 HydrophobicContact CZ3-CB 3.67Å; W387-K401 HydrophobicContact CZ3-CG 4.19Å; K401-R403 PolarHBondContact O-N 2.63Å
402C82.1Confident63.5Low15 Ų15122.8 Ų122.810%0.10163%0.626CS.*  trans-64.7122.8171.5-73.10000109.9C381 Q385 L386 W387C381-C402 HydrophobicContact CB-CB 3.68Å; C381-C402 WeakPolarHBondContact CB-SG 3.24Å; C381-C402 WeakPolarHBondContact SG-CA 3.28Å; C381-C402 WeakPolarHBondContact SG-CB 3.42Å; C381-C402 CovalentContact SG-SG 2.03Å; C381-C402 PolarHBondContact SG-SG 3.25Å; Q385-C402 WeakPolarHBondContact O-CB 3.45Å; L386-C402 PolarHBondContact O-N 3.22Å; W387-C402 VanDerWaalsContact C-SG 3.54Å
403R73.6Confident61.3Low244 Ų244125.2 Ų125.292%0.92165%0.647SS**  trans-93.696.4171.8-65.9-175.2-179-175.4-0.9107.8K401K401-R403 PolarHBondContact O-N 2.63Å
404G56.7Low59Low59 Ų59121.2 Ų121.261%0.60864%0.64SS**  trans-69.8148.6166.600000110.2V406G404-V406 VanDerWaalsContact C-N 3.33Å; G404-V406 PolarHBondContact O-N 2.96Å
405N42.6Very low56.9Low178 Ų178124.9 Ų124.995%0.95265%0.651SS**  trans-49.191.5174.1-90.9-10.4000110.9
406V41.6Very low54.8Low138 Ų138126.6 Ų126.684%0.83666%0.66SS**  trans-95.6115158.4-1730000104.5G404G404-V406 VanDerWaalsContact C-N 3.33Å; G404-V406 PolarHBondContact O-N 2.96Å
407G35.4Very low52.6Low64 Ų64128.5 Ų128.566%0.6668%0.68SS**  trans-53.7152179.900000112.4
408F31.6Very low50.2Low202 Ų202132.6 Ų132.689%0.88671%0.705SS**  trans-19.7148.8159-106.8-109.4000116.2
409L33.8Very low47.8Very low155 Ų155136 Ų13681%0.81273%0.733SS**  trans98.2118.6173-61.9150.2000112.4
410E37.8Very low45.1Very low172 Ų172137.9 Ų137.980%0.80475%0.752SS**  cis-147.6150.818.3-93.2160161.200109.9C412E410-C412 PolarHBondContact O-N 2.93Å
411E33.8Very low42.6Very low194 Ų194143 Ų14391%0.90778%0.777SS**  trans-62.4118.2169.6-73172.9142.800110.6S413E411-S413 PolarHBondContact O-N 2.89Å
412C32.7Very low40Very low129 Ų129143.7 Ų143.787%0.87279%0.788SS**  trans-87.5104.7163.7-79.60000109.6E410E410-C412 PolarHBondContact O-N 2.93Å
413S35.7Very low37.6Very low105 Ų105150.2 Ų150.273%0.73483%0.827SS**  trans-75.3125.1164.147.10000110.6E411 E415E411-S413 PolarHBondContact O-N 2.89Å; S413-E415 PolarHBondContact O-N 2.85Å
414C32.1Very low35.6Very low122 Ų122142.6 Ų142.682%0.82481%0.811SS**  trans-85.5105.1169.7-66.30000109.7
415E37.3Very low34.3Very low183 Ų183148.1 Ų148.186%0.85582%0.819SS**  trans-92.3120.8163-78.2-172.2160.900110.3S413S413-E415 PolarHBondContact O-N 2.85Å
416N33.2Very low33.9Very low144 Ų144148 Ų14877%0.7781%0.813SS**  trans-69.9128.3170.9-66.8-50.9000109.2
417N35.8Very low33.3Very low165 Ų165150.3 Ų150.388%0.88281%0.814SS**  trans-142.9111.4149.8-99.4-27.2000111.3
418I32.4Very low33.2Very low155 Ų155154.4 Ų154.480%0.79583%0.826SS**  trans-80.1125.7167.6-65.8163.1000106.4
419T35.6Very low33.2Very low139 Ų139149.5 Ų149.585%0.85382%0.817SS**  trans-151.3122.9142.832.30000110.5
420S29.9Very low33.2Very low102 Ų102147.2 Ų147.271%0.71381%0.814SS**  trans-59.2146.7166.748.10000112.4
421E34.7Very low32.9Very low199 Ų199147.4 Ų147.493%0.9381%0.814SS**  trans-158.8131.8131.1-112.8166.8-160.500112.3
422N30.8Very low33Very low154 Ų154145 Ų14582%0.82481%0.813SS**  trans-69.8154.4177.2-72.3-42.5000111.2
423T33.4Very low33.2Very low151 Ų151147.9 Ų147.993%0.92681%0.813SS**  -169.2153.9128.318.50000110.9
424S31.2Very low33.2Very low84 Ų84148.1 Ų148.159%0.58781%0.813SS**  trans-126.1177.5-145.841.20000112.7
425F29.8Very low33.3Very low176 Ų176151.9 Ų151.977%0.77282%0.815SS**  trans82.2138.7165.8-59.5-80.8000115.4
426E33.5Very low33.1Very low176 Ų176152.3 Ų152.382%0.82282%0.816SS**  cis-164.6154.822.9-137.2156.3-148.700111.5
427E28.1Very low33.2Very low185 Ų185151.2 Ų151.286%0.86482%0.817SS**  trans-78147.2173.4-72.9175.1129.500112.7
428V34.5Very low32.8Very low150 Ų150148.6 Ų148.691%0.90981%0.812SS**  trans-145.9127.7147.9-177.70000111.7
429S31.3Very low32.7Very low100 Ų100149.5 Ų149.570%0.69982%0.816SS**  trans-84.2153.8171.758.80000113.8
430S33.3Very low32.2Very low107 Ų107146.9 Ų146.975%0.74880%0.804SS**  160.8133.4117.354.60000115.4
431H32.3Very low32Very low176 Ų176150.5 Ų150.582%0.81581%0.807SS**  trans22.6135.7149.6-60.5-61000123.5
432T36.5Very low31.6Very low144 Ų144149.5 Ų149.588%0.88380%0.802SS**  -176.5136.3110.626.80000112.8
433H35.4Very low31.2Very low188 Ų188148.2 Ų148.287%0.8780%0.804SS**  trans-81.2161.8171-88-73.5000111.9
434P37Very low30.9Very low111 Ų111145.7 Ų145.772%0.72179%0.793SS**  -147.6142.1120.330.2-10.6000117.8
435K33.6Very low30.8Very low201 Ų201147.8 Ų147.887%0.87480%0.804SS**  trans62.7118.8130.3-61-179.7-180179.20122.4
436H32.1Very low30.7Very low191 Ų191146 Ų14688%0.88480%0.802SS**  trans-65160.7158.4-92.6-83.2000113.5
437P35.2Very low30.4Very low121 Ų121145.7 Ų145.779%0.78681%0.806SS**  -129.9151.7129.735-22.7000113.8
438S27.8Very low30.5Very low111 Ų111147.9 Ų147.978%0.77681%0.806SS**  trans-79.8134.8177.546.60000113.2
439I31.2Very low30.5Very low173 Ų173150 Ų15089%0.88781%0.806SS**  trans-145.4142.1153.1-61.3-175.1000109.7
440S24.6Very low31Very low85 Ų85151.2 Ų151.259%0.59480%0.803SS**  trans-109169.2-164.148.10000114.2
441F25.5Very low31.5Very low177 Ų177148.4 Ų148.478%0.77678%0.784SS**  trans71109.4161.1-60.8-77000120.6
442H26.5Very low32.3Very low179 Ų179145.5 Ų145.583%0.82977%0.771SS**  172.2129.599.8-99.8-66.4000112.1
443C23.1Very low32.9Very low126 Ų126142.1 Ų142.185%0.85175%0.753SS**  trans-77.3131.4168.8-78.30000110.7
444S27Very low33.7Very low99 Ų99138.7 Ų138.769%0.69274%0.739SS**  trans-150.9141.2159.9-650000109.4
445P29.5Very low34.3Very low127 Ų127137.4 Ų137.483%0.82573%0.726SS**  trans-82.6122.5-17332.6-29.4000109.2
446L26.6Very low35.3Very low140 Ų140132.6 Ų132.673%0.73371%0.707SS**  trans-146.1114.8172.7-98.7127000111R448L446-R448 PolarHBondContact O-N 2.85Å
447D27.1Very low36.7Very low169 Ų169130.2 Ų130.290%0.90470%0.697SS**  trans-40.6102.1156.8-66.6-53.5000110
448R30.5Very low37.8Very low230 Ų230131.5 Ų131.587%0.86869%0.686SS**  trans-105.4103.4169.9-78-171.8176.4-178.40.3108.2L446 I450L446-R448 PolarHBondContact O-N 2.85Å; R448-I450 PolarHBondContact O-N 3.27Å; R448-I450 VanDerWaalsContact O-N 3.14Å
449E33.6Very low39Very low194 Ų194130.1 Ų130.191%0.90767%0.669SS**  trans-48.6118.9162.4-74.1-171.1134.400108.9S451E449-S451 PolarHBondContact O-N 2.98Å; E449-S451 VanDerWaalsContact O-N 3.09Å
450I42.6Very low40.6Very low126 Ų126124.6 Ų124.665%0.64665%0.649SS**  trans-58.3115.7171-62.3169.5000106.8R448 M454 L455R448-I450 PolarHBondContact O-N 3.27Å; R448-I450 VanDerWaalsContact O-N 3.14Å; I450-M454 HydrophobicContact CG2-CB 4Å; I450-L455 HydrophobicContact CG2-CB 4.45Å
451S44.5Very low42.4Very low49 Ų49124 Ų12434%0.34365%0.645SS.*  trans-60.5147.7178.7710000110.3E449 S453 M454 L455E449-S451 PolarHBondContact O-N 2.98Å; E449-S451 VanDerWaalsContact O-N 3.09Å; S451-S453 PolarHBondContact O-N 2.98Å; S451-S453 VanDerWaalsContact O-N 3.07Å; S451-S453 PolarHBondContact OG-OG 3.42Å; S451-M454 PolarHBondContact O-N 2.99Å; S451-M454 WeakPolarHBondContact OG-CG 3.18Å; S451-M454 PolarHBondContact OG-N 3.39Å; S451-L455 PolarHBondContact O-N 3.37Å
452E49.3Very low44.1Very low114 Ų114120.6 Ų120.653%0.53363%0.63SS.*Hα-helixtrans-55.4-29178.7-147.4175.3-174.800111.4R354 M456R354-E452 IonicContact CZ-OE1 2.98Å; R354-E452 IonicContact NH1-OE1 3.02Å; R354-E452 PolarHBondContact NH1-OE1 3.32Å; R354-E452 IonicContact NH1-OE2 3.38Å; E452-M456 VanDerWaalsContact O-CG 3.24Å; E452-M456 WeakPolarHBondContact O-CG 3.4Å; E452-M456 PolarHBondContact O-N 2.95Å
453S47.7Very low45.6Very low74 Ų74118.9 Ų118.952%0.51762%0.623SS.*Hα-helixtrans-68.3-44.5174.757.80000113.7S451 L455 M456 E457S451-S453 PolarHBondContact O-N 2.98Å; S451-S453 VanDerWaalsContact O-N 3.07Å; S451-S453 PolarHBondContact OG-OG 3.42Å; S453-L455 VanDerWaalsContact C-N 3.3Å; S453-L455 PolarHBondContact O-N 3.06Å; S453-M456 PolarHBondContact O-N 3.25Å; S453-E457 PolarHBondContact O-N 2.65Å
454M53.4Low47.4Very low115 Ų115119.8 Ų119.857%0.56761%0.612SS**Hα-helixtrans-65.6-35.4179.7-72.9-177.479.300111.8I450 S451 W458I450-M454 HydrophobicContact CG2-CB 4Å; S451-M454 PolarHBondContact O-N 2.99Å; S451-M454 WeakPolarHBondContact OG-CG 3.18Å; S451-M454 PolarHBondContact OG-N 3.39Å; M454-W458 WeakPolarHBondContact O-CB 3.36Å; M454-W458 PolarHBondContact O-N 2.86Å; M454-W458 VanDerWaalsContact O-N 3.07Å
455L49.5Very low48.7Very low85 Ų85117.1 Ų117.145%0.44559%0.593SS.*Hα-helixtrans-67.1-39.7174.5-174.764.9000111.5I450 S451 S453 W458 L459I450-L455 HydrophobicContact CG2-CB 4.45Å; S451-L455 PolarHBondContact O-N 3.37Å; S453-L455 VanDerWaalsContact C-N 3.3Å; S453-L455 PolarHBondContact O-N 3.06Å; L455-W458 PolarHBondContact O-N 3.11Å; L455-L459 HydrophobicContact CG-CD1 4.28Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.38Å; L455-L459 PolarHBondContact O-N 2.98Å
456M53.3Low49.9Very low100 Ų100117.8 Ų117.849%0.49358%0.579SS.*Hα-helixtrans-68.9-41.4177.9-71.6-63-163.600112.6E452 S453 W458 L459 A460E452-M456 VanDerWaalsContact O-CG 3.24Å; E452-M456 WeakPolarHBondContact O-CG 3.4Å; E452-M456 PolarHBondContact O-N 2.95Å; S453-M456 PolarHBondContact O-N 3.25Å; M456-W458 VanDerWaalsContact C-N 3.3Å; M456-W458 PolarHBondContact O-N 2.76Å; M456-L459 PolarHBondContact O-N 3.1Å; M456-A460 WeakPolarHBondContact O-CB 3.33Å; M456-A460 PolarHBondContact O-N 2.96Å
457E62.4Low51.3Low141 Ų141113.5 Ų113.566%0.65956%0.564SS**Hα-helixtrans-60.9-40.5172.9-80179.5162.800111.6S453 S461S453-E457 PolarHBondContact O-N 2.65Å; E457-S461 VanDerWaalsContact O-CB 3.25Å; E457-S461 WeakPolarHBondContact O-CB 3.36Å; E457-S461 PolarHBondContact O-N 3.47Å
458W58.2Low52.6Low148 Ų148111.2 Ų111.256%0.56155%0.548SS*.Hα-helixtrans-67.1-41.8177.6-171.986.9000112.8M454 L455 M456 S461 K462M454-W458 WeakPolarHBondContact O-CB 3.36Å; M454-W458 PolarHBondContact O-N 2.86Å; M454-W458 VanDerWaalsContact O-N 3.07Å; L455-W458 PolarHBondContact O-N 3.11Å; M456-W458 VanDerWaalsContact C-N 3.3Å; M456-W458 PolarHBondContact O-N 2.76Å; W458-S461 PolarHBondContact O-N 3.46Å; W458-K462 HydrophobicContact CD2-CG 4.4Å; W458-K462 HydrophobicContact CE3-CG 4.39Å; W458-K462 HydrophobicContact CH2-CG 4.22Å; W458-K462 HydrophobicContact CZ2-CG 4.21Å; W458-K462 HydrophobicContact CZ3-CG 4.3Å; W458-K462 PolarHBondContact O-N 2.77Å
459L52.8Low53.7Low82 Ų82106.5 Ų106.543%0.42954%0.54SS..Hα-helixtrans-65.5-44176.1-71.8172.3000111.8L455 M456 S461 K462 E463L455-L459 HydrophobicContact CG-CD1 4.28Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.38Å; L455-L459 PolarHBondContact O-N 2.98Å; M456-L459 PolarHBondContact O-N 3.1Å; L459-S461 PolarHBondContact O-N 3.22Å; L459-K462 PolarHBondContact O-N 2.83Å; L459-E463 PolarHBondContact O-N 3.5Å
460A65Low54.6Low56 Ų56105.8 Ų105.846%0.46353%0.534SS..Hα-helixtrans-63.6-39.4176.300000112.1M456 K462 E463 K464M456-A460 WeakPolarHBondContact O-CB 3.33Å; M456-A460 PolarHBondContact O-N 2.96Å; A460-K462 VanDerWaalsContact C-N 3.35Å; A460-K462 PolarHBondContact O-N 3.05Å; A460-E463 PolarHBondContact O-N 3.47Å; A460-K464 PolarHBondContact O-N 2.75Å
461S62.7Low55Low73 Ų73108.2 Ų108.251%0.5154%0.54SS..Hα-helixtrans-60.3-41.9173.6169.90000112.2E457 W458 L459 K464 S465E457-S461 VanDerWaalsContact O-CB 3.25Å; E457-S461 WeakPolarHBondContact O-CB 3.36Å; E457-S461 PolarHBondContact O-N 3.47Å; W458-S461 PolarHBondContact O-N 3.46Å; L459-S461 PolarHBondContact O-N 3.22Å; S461-K464 PolarHBondContact O-N 2.87Å; S461-S465 PolarHBondContact O-N 3.45Å; S461-S465 PolarHBondContact O-OG 2.9Å
462K61.6Low55Low105 Ų105109.1 Ų109.146%0.45756%0.557SS.*Hα-helixtrans-65.7-37.2175.6-78.5-74.8-178.2-175.10112.8W458 L459 A460 S465 R466W458-K462 HydrophobicContact CD2-CG 4.4Å; W458-K462 HydrophobicContact CE3-CG 4.39Å; W458-K462 HydrophobicContact CH2-CG 4.22Å; W458-K462 HydrophobicContact CZ2-CG 4.21Å; W458-K462 HydrophobicContact CZ3-CG 4.3Å; W458-K462 PolarHBondContact O-N 2.77Å; L459-K462 PolarHBondContact O-N 2.83Å; A460-K462 VanDerWaalsContact C-N 3.35Å; A460-K462 PolarHBondContact O-N 3.05Å; K462-S465 PolarHBondContact O-OG 3.24Å; K462-R466 WeakPolarHBondContact O-CG 3.16Å; K462-R466 PolarHBondContact O-N 3.39Å
463E56.8Low54.7Low144 Ų144114.4 Ų114.467%0.67357%0.572SS**Hα-helixtrans-68.8-42.3174.8-72.7-169155.500112.5L459 A460 R466 A467L459-E463 PolarHBondContact O-N 3.5Å; A460-E463 PolarHBondContact O-N 3.47Å; E463-R466 PolarHBondContact O-N 3.28Å; E463-A467 PolarHBondContact O-N 3.18Å
464K60.8Low54.3Low144 Ų144122.7 Ų122.763%0.62659%0.592SS**Hα-helixtrans-62.4-45178.1-143.2177.2-176.3-175.90111.7A460 S461 R466 A467 E468A460-K464 PolarHBondContact O-N 2.75Å; S461-K464 PolarHBondContact O-N 2.87Å; K464-R466 VanDerWaalsContact C-N 3.28Å; K464-R466 PolarHBondContact O-N 3.32Å; K464-A467 PolarHBondContact O-N 3.04Å; K464-A467 VanDerWaalsContact O-N 3.14Å; K464-E468 WeakPolarHBondContact O-CG 3.14Å; K464-E468 PolarHBondContact O-N 3.34Å
465S54.9Low53.7Low43 Ų43126.4 Ų126.430%0.30161%0.605SS.*Hα-helixtrans-63.9-28.8175.673.40000113.7S461 K462 N469S461-S465 PolarHBondContact O-N 3.45Å; S461-S465 PolarHBondContact O-OG 2.9Å; K462-S465 PolarHBondContact O-OG 3.24Å; S465-N469 WeakPolarHBondContact O-CB 3.26Å; S465-N469 PolarHBondContact O-N 3.08Å; S465-N469 VanDerWaalsContact O-N 3.12Å; S465-N469 PolarHBondContact O-ND2 3.27Å
466R55.1Low53.1Low141 Ų141127.8 Ų127.853%0.53262%0.619SS.*Hα-helixtrans-76.7-35.8173.7-81177.9169.4171.3-2.5112.3K462 E463 K464 K470K462-R466 WeakPolarHBondContact O-CG 3.16Å; K462-R466 PolarHBondContact O-N 3.39Å; E463-R466 PolarHBondContact O-N 3.28Å; K464-R466 VanDerWaalsContact C-N 3.28Å; K464-R466 PolarHBondContact O-N 3.32Å; R466-K470 PolarHBondContact O-N 2.91Å
467A55.2Low52.2Low51 Ų51132.5 Ų132.542%0.42164%0.64SS.*Hα-helixtrans-69.1-39.317500000111.7E463 K464 K470 K471E463-A467 PolarHBondContact O-N 3.18Å; K464-A467 PolarHBondContact O-N 3.04Å; K464-A467 VanDerWaalsContact O-N 3.14Å; A467-K470 PolarHBondContact O-N 2.86Å; A467-K471 PolarHBondContact O-N 3.5Å
468E54.5Low51.1Low121 Ų121131.4 Ų131.457%0.56564%0.643SS**Hα-helixtrans-67.9-41.9175.8-73.5168.8179.900111.7K464 K470 K471K464-E468 WeakPolarHBondContact O-CG 3.14Å; K464-E468 PolarHBondContact O-N 3.34Å; E468-K470 PolarHBondContact O-N 2.81Å; E468-K471 PolarHBondContact O-N 3.35Å; E468-K471 VanDerWaalsContact O-N 3.09Å
469N53.4Low50.1Low130 Ų130129.1 Ų129.170%0.69565%0.65SS**Hα-helixtrans-64.4-22.4173-85.1-45.8000113.9S465S465-N469 WeakPolarHBondContact O-CB 3.26Å; S465-N469 PolarHBondContact O-N 3.08Å; S465-N469 VanDerWaalsContact O-N 3.12Å; S465-N469 PolarHBondContact O-ND2 3.27Å
470K53.3Low49.2Very low179 Ų179135.8 Ų135.878%0.77868%0.675SS**Hα-helixtrans-82.3-25.5172.8-82.8-175.5175.5-1770113.3R466 A467 E468R466-K470 PolarHBondContact O-N 2.91Å; A467-K470 PolarHBondContact O-N 2.86Å; E468-K470 PolarHBondContact O-N 2.81Å
471K49.8Very low47.7Very low177 Ų177142.1 Ų142.177%0.7769%0.687SS**Hα-helixtrans-78.5-17.2179.3-76.3-178.5176.8-178.60113.7A467 E468A467-K471 PolarHBondContact O-N 3.5Å; E468-K471 PolarHBondContact O-N 3.35Å; E468-K471 VanDerWaalsContact O-N 3.09Å
472G44.4Very low46.3Very low69 Ų69144.3 Ų144.371%0.71170%0.7SS**THydrogen-bonded Turntrans-84.73.5179.600000116.9
473R43.5Very low45.2Very low225 Ų225151.3 Ų151.385%0.84972%0.723SS**  trans-122.871178.2-83-178.8169.1172.1-2111.3K475R473-K475 PolarHBondContact O-N 2.96Å
474R39.2Very low44.6Very low248 Ų248151.3 Ų151.394%0.93672%0.723SS**  trans-76.3105.1163.1-78.3-177171.2179.3-3.4108.5
475K42Very low44.3Very low192 Ų192151.7 Ų151.784%0.83573%0.729SS**PPolyproline II helixtrans-83.4150.8165.3-86.3-174.7173.8-176.30109.5R473R473-K475 PolarHBondContact O-N 2.96Å
476P36.8Very low44.5Very low114 Ų114157.3 Ų157.374%0.7476%0.755SS**PPolyproline II helixtrans-67.7139.9-177.2-9.224.9000111.3T478P476-T478 PolarHBondContact O-N 2.84Å
477E34.5Very low45.2Very low199 Ų199151.6 Ų151.693%0.9374%0.737SS**PPolyproline II helixtrans-61.8118.6174.1-72.2-178.515400110.4
478T39.4Very low45.9Very low119 Ų119153.4 Ų153.473%0.7375%0.746SS**  trans-129.3119.8169.840.70000110P476P476-T478 PolarHBondContact O-N 2.84Å
479S36.9Very low46.4Very low100 Ų100150.3 Ų150.370%0.69974%0.735SS**  trans15.3119.2162.5660000119.5R481S479-R481 PolarHBondContact O-N 3.05Å
480K34.2Very low46.9Very low221 Ų221149.1 Ų149.196%0.96174%0.735SS**  trans-3.990.2156.6-68.3178.1178.2175.80114.8
481R32.4Very low47.1Very low189 Ų189145.1 Ų145.171%0.71372%0.722SS**  trans-90.5148.2162.7-75-176.2178.6-170.8-1.7110.2S479S479-R481 PolarHBondContact O-N 3.05Å
482P34.4Very low47.9Very low119 Ų119137.3 Ų137.377%0.77369%0.688SS**SBendtrans-59.4144.3179.5-11.125.3000109.5E484P482-E484 PolarHBondContact O-N 3.28Å
483R37.5Very low49Very low252 Ų252136.2 Ų136.295%0.95167%0.666SS**  trans-30.391.2-179.2-77.8178.2171.8170.9-2.6112.6M485R483-M485 PolarHBondContact O-N 3.05Å
484E45.3Very low50.3Low144 Ų144126.6 Ų126.667%0.67363%0.633SS**  trans-62.5124.4168.9-84.2176175.700106.6P482 L486P482-E484 PolarHBondContact O-N 3.28Å; E484-L486 PolarHBondContact O-N 3.41Å
485M52.7Low51.9Low153 Ų153119.3 Ų119.375%0.75461%0.608SS**  trans-56.6103.4176.2-157.6-176.4-71.500107.5R483 C487R483-M485 PolarHBondContact O-N 3.05Å; M485-C487 PolarHBondContact O-N 3.43Å
486L59.9Low53.3Low161 Ų161113.5 Ų113.584%0.84359%0.589SS**  trans-62.895.8-178.8-89.5153.6000108.6E484 S488E484-L486 PolarHBondContact O-N 3.41Å; L486-S488 PolarHBondContact O-N 2.03Å
487C70.6Confident54.9Low21 Ų21108.1 Ų108.114%0.14255%0.554CS.*  trans-74.963.1175.7-173.50000110.7M485 F495 T496 C514M485-C487 PolarHBondContact O-N 3.43Å; C487-F495 PolarHBondContact SG-O 3.28Å; C487-F495 VanDerWaalsContact SG-O 3.35Å; C487-T496 WeakPolarHBondContact CB-OG1 3.49Å; C487-T496 PolarHBondContact SG-N 2.93Å; C487-T496 VanDerWaalsContact SG-N 3.45Å; C487-C514 WeakPolarHBondContact CA-SG 3.48Å; C487-C514 HydrophobicContact CB-CB 3.67Å; C487-C514 WeakPolarHBondContact CB-SG 3.32Å; C487-C514 WeakPolarHBondContact SG-CA 3.48Å; C487-C514 WeakPolarHBondContact SG-CB 3.03Å; C487-C514 CovalentContact SG-SG 2.03Å; C487-C514 PolarHBondContact SG-SG 2.92Å
488S68.6Low56.4Low89 Ų89101.4 Ų101.462%0.62253%0.525SS*.  trans-142.382-177174.60000108.1L486L486-S488 PolarHBondContact O-N 2.03Å
489V66.3Low57.7Low56 Ų5699.9 Ų99.934%0.33951%0.512SS..  trans-82.2126.2171-177.20000108.4N491 L492 C516V489-N491 PolarHBondContact O-N 2.04Å; V489-L492 HydrophobicContact CB-CB 4.19Å; V489-L492 HydrophobicContact CB-CD1 3.78Å; V489-L492 HydrophobicContact CB-CG 4.32Å; V489-L492 HydrophobicContact CG1-CB 4.48Å; V489-L492 HydrophobicContact CG1-CD1 3.49Å; V489-L492 VanDerWaalsContact CG1-CD1 3.49Å; V489-L492 HydrophobicContact CG1-CG 4.08Å; V489-L492 HydrophobicContact CG2-CD1 4.47Å; V489-L492 PolarHBondContact O-N 2.86Å; V489-C516 VanDerWaalsContact CG2-SG 3.58Å
490P62.6Low59Low104 Ų10499.6 Ų99.668%0.67551%0.51SS*.THydrogen-bonded Turntrans-51.9135.5178.3-2734.6000112.1L492P490-L492 PolarHBondContact O-N 2.87Å
491N59Low60.4Low95 Ų9592.3 Ų92.351%0.50848%0.48SS..THydrogen-bonded Turntrans64.910.5179.5-53.5-40.6000116.7V489 T543V489-N491 PolarHBondContact O-N 2.04Å; N491-T543 HydrophobicContact CB-CG2 3.88Å
492L64.9Low61.6Low14 Ų1483.6 Ų83.67%0.07345%0.447CS..EExtended strand (participates in β ladder)trans-114.9149.3172.2-63.8178.2000111.7V489 P490 C494 C516 N518 F545V489-L492 HydrophobicContact CB-CB 4.19Å; V489-L492 HydrophobicContact CB-CD1 3.78Å; V489-L492 HydrophobicContact CB-CG 4.32Å; V489-L492 HydrophobicContact CG1-CB 4.48Å; V489-L492 HydrophobicContact CG1-CD1 3.49Å; V489-L492 VanDerWaalsContact CG1-CD1 3.49Å; V489-L492 HydrophobicContact CG1-CG 4.08Å; V489-L492 HydrophobicContact CG2-CD1 4.47Å; V489-L492 PolarHBondContact O-N 2.86Å; P490-L492 PolarHBondContact O-N 2.87Å; L492-C494 PolarHBondContact O-N 3.02Å; L492-C516 HydrophobicContact CB-CB 4.24Å; L492-C516 HydrophobicContact CD1-CB 3.78Å; L492-N518 WeakPolarHBondContact CA-O 3.29Å; L492-F545 HydrophobicContact CD1-CB 4.29Å; L492-F545 HydrophobicContact CD1-CD1 3.58Å; L492-F545 HydrophobicContact CD1-CD2 3.48Å; L492-F545 VanDerWaalsContact CD1-CD2 3.48Å; L492-F545 HydrophobicContact CD1-CE1 3.64Å; L492-F545 HydrophobicContact CD1-CE2 3.53Å; L492-F545 HydrophobicContact CD1-CG 3.5Å; L492-F545 HydrophobicContact CD1-CZ 3.62Å; L492-F545 HydrophobicContact CD2-CB 3.92Å; L492-F545 HydrophobicContact CD2-CD1 3.6Å; L492-F545 HydrophobicContact CD2-CE1 4.26Å; L492-F545 HydrophobicContact CD2-CG 3.79Å; L492-F545 HydrophobicContact CG-CB 4.31Å; L492-F545 HydrophobicContact CG-CD1 4.16Å; L492-F545 HydrophobicContact CG-CD2 4.36Å; L492-F545 HydrophobicContact CG-CG 4.03Å
493N68.2Low62.5Low45 Ų4587.2 Ų87.224%0.24145%0.445CS..EExtended strand (participates in β ladder)trans-84.7106.9164.5-67.3-49.7000108.2C516 Q517 N518N493-C516 CarbonylContact O-C 3.6Å; N493-C516 WeakPolarHBondContact O-CA 3.48Å; N493-Q517 HydrophobicContact CB-CG 3.72Å; N493-Q517 VanDerWaalsContact CB-NE2 3.32Å; N493-Q517 WeakPolarHBondContact O-CG 3.44Å; N493-Q517 PolarHBondContact O-N 3.32Å; N493-N518 PolarHBondContact N-O 3.37Å
494C71.7Confident62.9Low24 Ų2477.7 Ų77.716%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-115.8144.3179.9-53.90000111.5L492 F515 C516L492-C494 PolarHBondContact O-N 3.02Å; C494-F515 CarbonylContact C-O 3.54Å; C494-F515 VanDerWaalsContact CA-O 3.31Å; C494-F515 WeakPolarHBondContact CA-O 3.41Å; C494-C516 HydrophobicContact CB-CB 4.1Å; C494-C516 WeakPolarHBondContact CB-SG 3.15Å; C494-C516 WeakPolarHBondContact SG-CB 3.06Å; C494-C516 CovalentContact SG-SG 2.04Å; C494-C516 PolarHBondContact SG-SG 2.89Å
495F71.2Confident62.9Low94 Ų9477.2 Ų77.241%0.41241%0.413SS..EExtended strand (participates in β ladder)trans-128.1129.5177.7-57-84.2000109.6C487 H497 F515 Q517C487-F495 PolarHBondContact SG-O 3.28Å; C487-F495 VanDerWaalsContact SG-O 3.35Å; F495-H497 PolarHBondContact O-CD2 2.9Å; F495-F515 PolarHBondContact N-O 2.79Å; F495-F515 PolarHBondContact O-N 3.24Å; F495-Q517 HydrophobicContact CE2-CG 4.1Å
496T71.3Confident63Low71 Ų7173.8 Ų73.844%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-76.3125.3167.8-46.10000108.2C487C487-T496 WeakPolarHBondContact CB-OG1 3.49Å; C487-T496 PolarHBondContact SG-N 2.93Å; C487-T496 VanDerWaalsContact SG-N 3.45Å
497H70.6Confident62.8Low1 Ų170.4 Ų70.41%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-106.5118.2169.2-63.4-71000108.4F246 F495 H501 P512 F513F246-H497 VanDerWaalsContact C-CE1 3.46Å; F246-H497 PolarHBondContact O-CE1 3.4Å; F246-H497 PolarHBondContact O-NE2 3.11Å; F495-H497 PolarHBondContact O-CD2 2.9Å; H497-H501 AromaticContact CE1-NE2 3.67Å; H497-H501 AromaticContact ND1-CD2 3.28Å; H497-H501 PolarHBondContact ND1-CD2 3.5Å; H497-H501 VanDerWaalsContact ND1-CD2 3.28Å; H497-H501 AromaticContact ND1-CG 3.95Å; H497-H501 AromaticContact ND1-NE2 3.39Å; H497-H501 PolarHBondContact ND1-NE2 3.35Å; H497-P512 CarbonylContact O-C 3.58Å; H497-P512 WeakPolarHBondContact O-CA 3.25Å; H497-F513 HydrophobicContact CB-CD1 3.83Å; H497-F513 HydrophobicContact CB-CD2 4.44Å; H497-F513 HydrophobicContact CB-CE1 3.4Å; H497-F513 HydrophobicContact CB-CE2 4.07Å; H497-F513 HydrophobicContact CB-CG 4.34Å; H497-F513 HydrophobicContact CB-CZ 3.53Å; H497-F513 AromaticContact CD2-CE2 3.55Å; H497-F513 AromaticContact CD2-CZ 3.68Å; H497-F513 AromaticContact CG-CZ 3.72Å; H497-F513 PolarHBondContact N-O 3.34Å; H497-F513 PolarHBondContact O-N 2.95Å
498D66.9Low62.3Low57 Ų5770.1 Ų70.131%0.30538%0.376SS..  trans-127.7173.1172.664.127.5000109.5S500 H501 W502 P512D498-S500 PolarHBondContact O-N 2.92Å; D498-S500 WeakPolarHBondContact OD1-CA 3.33Å; D498-S500 VanDerWaalsContact OD1-CB 3.26Å; D498-S500 WeakPolarHBondContact OD1-CB 3.32Å; D498-S500 PolarHBondContact OD1-N 3.4Å; D498-S500 PolarHBondContact OD1-OG 3.42Å; D498-S500 PolarHBondContact OD2-OG 2.98Å; D498-H501 WeakPolarHBondContact O-CA 3.24Å; D498-H501 VanDerWaalsContact O-CB 3.29Å; D498-H501 WeakPolarHBondContact O-CB 3.45Å; D498-H501 PolarHBondContact O-N 3.12Å; D498-H501 PolarHBondContact OD1-N 3.29Å; D498-W502 PolarHBondContact O-N 2.91Å; D498-P512 HydrophobicContact CB-CB 3.99Å
499N66.1Low62.2Low87 Ų8771.2 Ų71.247%0.46538%0.379SS..THydrogen-bonded Turntrans-60.8-16.6-178.8-67.33.6000113.8W508N499-W508 PolarHBondContact ND2-O 3.16Å; N499-W508 PolarHBondContact OD1-O 3.29Å
500S65Low62.2Low95 Ų9573.8 Ų73.866%0.66439%0.391SS*.THydrogen-bonded Turntrans-80.1-25.1173.483.80000112.6D498D498-S500 PolarHBondContact O-N 2.92Å; D498-S500 WeakPolarHBondContact OD1-CA 3.33Å; D498-S500 VanDerWaalsContact OD1-CB 3.26Å; D498-S500 WeakPolarHBondContact OD1-CB 3.32Å; D498-S500 PolarHBondContact OD1-N 3.4Å; D498-S500 PolarHBondContact OD1-OG 3.42Å; D498-S500 PolarHBondContact OD2-OG 2.98Å
501H62.7Low62.3Low68 Ų6870.2 Ų70.232%0.31537%0.372SS..THydrogen-bonded Turntrans-75.3-33.6172.1-170.288.6000112N196 H497 D498 R503N196-H501 PolarHBondContact ND2-CD2 3.15Å; N196-H501 VanDerWaalsContact ND2-CD2 3.34Å; H497-H501 AromaticContact CE1-NE2 3.67Å; H497-H501 AromaticContact ND1-CD2 3.28Å; H497-H501 PolarHBondContact ND1-CD2 3.5Å; H497-H501 VanDerWaalsContact ND1-CD2 3.28Å; H497-H501 AromaticContact ND1-CG 3.95Å; H497-H501 AromaticContact ND1-NE2 3.39Å; H497-H501 PolarHBondContact ND1-NE2 3.35Å; D498-H501 WeakPolarHBondContact O-CA 3.24Å; D498-H501 VanDerWaalsContact O-CB 3.29Å; D498-H501 WeakPolarHBondContact O-CB 3.45Å; D498-H501 PolarHBondContact O-N 3.12Å; D498-H501 PolarHBondContact OD1-N 3.29Å; H501-R503 PolarHBondContact O-N 2.7Å; H501-R503 VanDerWaalsContact O-N 3.14Å
502W57.6Low62.8Low5 Ų570 Ų702%0.01938%0.376CS..  trans-75.298.5176-62.390.9000110.7T194 S195 N196 D498 T504 F507 W508 F513T194-W502 VanDerWaalsContact O-CH2 3.28Å; T194-W502 WeakPolarHBondContact O-CH2 3.27Å; S195-W502 WeakPolarHBondContact O-CZ3 3.36Å; N196-W502 HydrophobicContact CB-CE3 4.34Å; N196-W502 HydrophobicContact CB-CH2 4.49Å; N196-W502 HydrophobicContact CB-CZ3 4.22Å; N196-W502 VanDerWaalsContact CG-CE3 3.5Å; N196-W502 WeakPolarHBondContact ND2-CH2 3.35Å; N196-W502 WeakPolarHBondContact ND2-CZ2 3.41Å; N196-W502 WeakPolarHBondContact OD1-CA 3.18Å; N196-W502 WeakPolarHBondContact OD1-CZ3 3.42Å; D498-W502 PolarHBondContact O-N 2.91Å; W502-T504 PolarHBondContact O-N 2.97Å; W502-F507 HydrophobicContact CB-CD1 3.99Å; W502-F507 WeakPolarHBondContact O-CD1 3.3Å; W502-F507 WeakPolarHBondContact O-CE1 3.28Å; W502-W508 HydrophobicContact CD2-CB 3.68Å; W502-W508 HydrophobicContact CE3-CB 4.36Å; W502-W508 HydrophobicContact CG-CB 3.91Å; W502-W508 HydrophobicContact CH2-CE3 4.33Å; W502-W508 HydrophobicContact CZ2-CB 3.93Å; W502-W508 HydrophobicContact CZ2-CD2 4.26Å; W502-W508 HydrophobicContact CZ2-CE3 4.1Å; W502-W508 HydrophobicContact CZ2-CG 4.23Å; W502-W508 AromaticContact NE1-CG 3.79Å; W502-F513 AromaticContact CZ2-CE1 3.94Å; W502-F513 HydrophobicContact CZ2-CE1 3.94Å; W502-F513 HydrophobicContact CZ2-CZ 4.1Å
503R53.1Low63.1Low195 Ų19570.3 Ų70.374%0.73638%0.377SS*.  trans-86.61.7-177.5-63.9-172.7179-162.6-1.1115.1H501H501-R503 PolarHBondContact O-N 2.7Å; H501-R503 VanDerWaalsContact O-N 3.14Å
504T45.9Very low63.3Low52 Ų5269.8 Ų69.832%0.31938%0.377SS..SBendtrans-158.3136.9-175-37.90000112.3R191 W502R191-T504 VanDerWaalsContact NH1-C 3.27Å; R191-T504 VanDerWaalsContact NH1-CB 3.3Å; R191-T504 PolarHBondContact NH1-O 3.13Å; W502-T504 PolarHBondContact O-N 2.97Å
505E45.9Very low63.3Low135 Ų13568.8 Ų68.863%0.63137%0.37SS*.SBendtrans-63.1150.6-177-75.2-174170.900117R191 F507R191-E505 WeakPolarHBondContact CD-O 3.16Å; R191-E505 VanDerWaalsContact CZ-O 3.26Å; R191-E505 PolarHBondContact NH1-O 3.22Å; E505-F507 HydrophobicContact CB-CE2 4.49Å; E505-F507 HydrophobicContact CG-CD2 3.46Å; E505-F507 VanDerWaalsContact CG-CD2 3.46Å; E505-F507 HydrophobicContact CG-CE1 4.45Å; E505-F507 HydrophobicContact CG-CE2 3.17Å; E505-F507 HydrophobicContact CG-CG 4.23Å; E505-F507 HydrophobicContact CG-CZ 3.73Å; E505-F507 WeakPolarHBondContact OE1-CE2 3.34Å
506P54.8Low63.2Low80 Ų8065.1 Ų65.152%0.51936%0.355SS..SBendcis-72.6133.40.329.5-32.6000110.2
507F55.8Low63Low91 Ų9163.9 Ų63.940%0.39934%0.344SS..PPolyproline II helixtrans-68145.7175.3-61.9-67.7000109.1W502 E505 T509W502-F507 HydrophobicContact CB-CD1 3.99Å; W502-F507 WeakPolarHBondContact O-CD1 3.3Å; W502-F507 WeakPolarHBondContact O-CE1 3.28Å; E505-F507 HydrophobicContact CB-CE2 4.49Å; E505-F507 HydrophobicContact CG-CD2 3.46Å; E505-F507 VanDerWaalsContact CG-CD2 3.46Å; E505-F507 HydrophobicContact CG-CE1 4.45Å; E505-F507 HydrophobicContact CG-CE2 3.17Å; E505-F507 HydrophobicContact CG-CG 4.23Å; E505-F507 HydrophobicContact CG-CZ 3.73Å; E505-F507 WeakPolarHBondContact OE1-CE2 3.34Å; F507-T509 PolarHBondContact O-N 2.82Å
508W60.9Low62.7Low15 Ų1563.9 Ų63.96%0.05734%0.344CS..PPolyproline II helixtrans-60.9128.1171179.9-94.8000109.5R193 T194 N499 W502 L510 G511 F513R193-W508 HydrophobicContact CB-CZ3 4.45Å; T194-W508 HydrophobicContact CG2-CZ3 4.17Å; N499-W508 PolarHBondContact ND2-O 3.16Å; N499-W508 PolarHBondContact OD1-O 3.29Å; W502-W508 HydrophobicContact CD2-CB 3.68Å; W502-W508 HydrophobicContact CE3-CB 4.36Å; W502-W508 HydrophobicContact CG-CB 3.91Å; W502-W508 HydrophobicContact CH2-CE3 4.33Å; W502-W508 HydrophobicContact CZ2-CB 3.93Å; W502-W508 HydrophobicContact CZ2-CD2 4.26Å; W502-W508 HydrophobicContact CZ2-CE3 4.1Å; W502-W508 HydrophobicContact CZ2-CG 4.23Å; W502-W508 AromaticContact NE1-CG 3.79Å; W508-L510 HydrophobicContact CH2-CD1 3.91Å; W508-L510 HydrophobicContact CZ2-CB 3.75Å; W508-L510 HydrophobicContact CZ2-CD1 3.87Å; W508-L510 HydrophobicContact CZ2-CG 4.26Å; W508-L510 HydrophobicContact CZ3-CD1 4.49Å; W508-G511 PolarHBondContact NE1-O 2.81Å; W508-F513 HydrophobicContact CD2-CD1 4.19Å; W508-F513 AromaticContact CD2-CE1 3.76Å; W508-F513 HydrophobicContact CD2-CE1 3.76Å; W508-F513 AromaticContact CE2-CD1 3.46Å; W508-F513 VanDerWaalsContact CE2-CD1 3.46Å; W508-F513 AromaticContact CE2-CE1 3.49Å; W508-F513 VanDerWaalsContact CE2-CE1 3.49Å; W508-F513 HydrophobicContact CE3-CE1 4.23Å; W508-F513 HydrophobicContact CG-CE1 4.19Å; W508-F513 HydrophobicContact CH2-CD1 4.48Å; W508-F513 HydrophobicContact CH2-CE1 4.22Å; W508-F513 AromaticContact CZ2-CD1 3.63Å; W508-F513 HydrophobicContact CZ2-CD1 3.63Å; W508-F513 AromaticContact CZ2-CE1 3.74Å; W508-F513 HydrophobicContact CZ2-CE1 3.74Å; W508-F513 HydrophobicContact CZ2-CG 4.3Å; W508-F513 HydrophobicContact CZ2-CZ 4.49Å; W508-F513 HydrophobicContact CZ3-CE1 4.45Å; W508-F513 AromaticContact NE1-CD1 3.43Å; W508-F513 AromaticContact NE1-CE1 3.78Å
509T65.1Low62.1Low111 Ų11161.1 Ų61.168%0.68133%0.33SS*.  trans-111.3-3.3-176.755.80000113.6F507 G511F507-T509 PolarHBondContact O-N 2.82Å; T509-G511 PolarHBondContact O-N 3.41Å
510L66.5Low61.5Low111 Ų11163.6 Ų63.658%0.58133%0.334SS*.SBendtrans-86.419-175.5-56176000113.4W508W508-L510 HydrophobicContact CH2-CD1 3.91Å; W508-L510 HydrophobicContact CZ2-CB 3.75Å; W508-L510 HydrophobicContact CZ2-CD1 3.87Å; W508-L510 HydrophobicContact CZ2-CG 4.26Å; W508-L510 HydrophobicContact CZ3-CD1 4.49Å
511G65.3Low61.4Low28 Ų2861.9 Ų61.929%0.28932%0.317SS..  trans78.4170.4-177.900000114W508 T509W508-G511 PolarHBondContact NE1-O 2.81Å; T509-G511 PolarHBondContact O-N 3.41Å
512P69.6Low61.8Low92 Ų9260.4 Ų60.460%0.59731%0.311SS*.  trans-62.7138.9178.527.5-34.1000110.8H497 D498H497-P512 CarbonylContact O-C 3.58Å; H497-P512 WeakPolarHBondContact O-CA 3.25Å; D498-P512 HydrophobicContact CB-CB 3.99Å
513F71.3Confident62.9Low20 Ų2060.5 Ų60.59%0.08831%0.313CS..EExtended strand (participates in β ladder)trans-131.9154.3175.670.2-82.8000111.3F246 H497 W502 W508 F515 V558F246-F513 AromaticContact CD1-CE2 3.88Å; F246-F513 HydrophobicContact CD1-CE2 3.88Å; F246-F513 AromaticContact CD1-CZ 3.96Å; F246-F513 HydrophobicContact CD1-CZ 3.96Å; H497-F513 HydrophobicContact CB-CD1 3.83Å; H497-F513 HydrophobicContact CB-CD2 4.44Å; H497-F513 HydrophobicContact CB-CE1 3.4Å; H497-F513 HydrophobicContact CB-CE2 4.07Å; H497-F513 HydrophobicContact CB-CG 4.34Å; H497-F513 HydrophobicContact CB-CZ 3.53Å; H497-F513 AromaticContact CD2-CE2 3.55Å; H497-F513 AromaticContact CD2-CZ 3.68Å; H497-F513 AromaticContact CG-CZ 3.72Å; H497-F513 PolarHBondContact N-O 3.34Å; H497-F513 PolarHBondContact O-N 2.95Å; W502-F513 AromaticContact CZ2-CE1 3.94Å; W502-F513 HydrophobicContact CZ2-CE1 3.94Å; W502-F513 HydrophobicContact CZ2-CZ 4.1Å; W508-F513 HydrophobicContact CD2-CD1 4.19Å; W508-F513 AromaticContact CD2-CE1 3.76Å; W508-F513 HydrophobicContact CD2-CE1 3.76Å; W508-F513 AromaticContact CE2-CD1 3.46Å; W508-F513 VanDerWaalsContact CE2-CD1 3.46Å; W508-F513 AromaticContact CE2-CE1 3.49Å; W508-F513 VanDerWaalsContact CE2-CE1 3.49Å; W508-F513 HydrophobicContact CE3-CE1 4.23Å; W508-F513 HydrophobicContact CG-CE1 4.19Å; W508-F513 HydrophobicContact CH2-CD1 4.48Å; W508-F513 HydrophobicContact CH2-CE1 4.22Å; W508-F513 AromaticContact CZ2-CD1 3.63Å; W508-F513 HydrophobicContact CZ2-CD1 3.63Å; W508-F513 AromaticContact CZ2-CE1 3.74Å; W508-F513 HydrophobicContact CZ2-CE1 3.74Å; W508-F513 HydrophobicContact CZ2-CG 4.3Å; W508-F513 HydrophobicContact CZ2-CZ 4.49Å; W508-F513 HydrophobicContact CZ3-CE1 4.45Å; W508-F513 AromaticContact NE1-CD1 3.43Å; W508-F513 AromaticContact NE1-CE1 3.78Å; F513-F515 HydrophobicContact CD2-CB 4.22Å; F513-F515 HydrophobicContact CE2-CB 3.88Å; F513-V558 HydrophobicContact CB-CG1 4.06Å; F513-V558 HydrophobicContact CD2-CG1 3.52Å; F513-V558 HydrophobicContact CE2-CG1 4.2Å; F513-V558 HydrophobicContact CG-CG1 3.99Å
514C72.7Confident64.5Low34 Ų3451.2 Ų51.223%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-97.7126.1172.9-1770000109.2C487C487-C514 WeakPolarHBondContact CA-SG 3.48Å; C487-C514 HydrophobicContact CB-CB 3.67Å; C487-C514 WeakPolarHBondContact CB-SG 3.32Å; C487-C514 WeakPolarHBondContact SG-CA 3.48Å; C487-C514 WeakPolarHBondContact SG-CB 3.03Å; C487-C514 CovalentContact SG-SG 2.03Å; C487-C514 PolarHBondContact SG-SG 2.92Å
515F72Confident66.7Low3 Ų349.7 Ų49.71%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-114.2115.5174.9-173.8-105.1000110.5F246 L248 Y256 C494 F495 F513 Q517F246-F515 HydrophobicContact CB-CB 4.45Å; F246-F515 HydrophobicContact CB-CD1 3.67Å; F246-F515 HydrophobicContact CB-CD2 4.01Å; F246-F515 HydrophobicContact CB-CE1 3.84Å; F246-F515 HydrophobicContact CB-CE2 4.16Å; F246-F515 HydrophobicContact CB-CG 3.77Å; F246-F515 HydrophobicContact CB-CZ 4.07Å; F246-F515 HydrophobicContact CD1-CD2 4.09Å; F246-F515 HydrophobicContact CD1-CE2 4.23Å; F246-F515 HydrophobicContact CD2-CD2 4.36Å; F246-F515 HydrophobicContact CD2-CE1 4.28Å; F246-F515 AromaticContact CD2-CE2 3.78Å; F246-F515 HydrophobicContact CD2-CE2 3.78Å; F246-F515 AromaticContact CD2-CZ 3.73Å; F246-F515 HydrophobicContact CD2-CZ 3.73Å; F246-F515 HydrophobicContact CE2-CE2 4.27Å; F246-F515 HydrophobicContact CE2-CZ 4.46Å; F246-F515 HydrophobicContact CG-CD1 4.35Å; F246-F515 AromaticContact CG-CD2 3.88Å; F246-F515 HydrophobicContact CG-CD2 3.88Å; F246-F515 HydrophobicContact CG-CE1 4.25Å; F246-F515 AromaticContact CG-CE2 3.77Å; F246-F515 HydrophobicContact CG-CE2 3.77Å; F246-F515 HydrophobicContact CG-CG 4.17Å; F246-F515 AromaticContact CG-CZ 3.97Å; F246-F515 HydrophobicContact CG-CZ 3.97Å; L248-F515 HydrophobicContact CD1-CE1 3.86Å; L248-F515 HydrophobicContact CD1-CZ 4.29Å; L248-F515 HydrophobicContact CD2-CE1 3.98Å; L248-F515 HydrophobicContact CG-CE1 4.03Å; Y256-F515 HydrophobicContact CD2-CZ 4.14Å; Y256-F515 HydrophobicContact CE2-CE1 4.36Å; Y256-F515 HydrophobicContact CE2-CE2 4.3Å; Y256-F515 AromaticContact CE2-CZ 3.56Å; Y256-F515 HydrophobicContact CE2-CZ 3.56Å; Y256-F515 AromaticContact CZ-CZ 3.89Å; C494-F515 CarbonylContact C-O 3.54Å; C494-F515 VanDerWaalsContact CA-O 3.31Å; C494-F515 WeakPolarHBondContact CA-O 3.41Å; F495-F515 PolarHBondContact N-O 2.79Å; F495-F515 PolarHBondContact O-N 3.24Å; F513-F515 HydrophobicContact CD2-CB 4.22Å; F513-F515 HydrophobicContact CE2-CB 3.88Å; F515-Q517 HydrophobicContact CD1-CB 4.43Å; F515-Q517 HydrophobicContact CE1-CB 4.01Å
516C69.1Low68.9Low17 Ų1743.3 Ų43.312%0.11524%0.236CC..EExtended strand (participates in β ladder)trans-100.3105.5178.3-64.20000110Y256 V489 L492 N493 C494Y256-C516 PolarHBondContact OH-O 2.91Å; V489-C516 VanDerWaalsContact CG2-SG 3.58Å; L492-C516 HydrophobicContact CB-CB 4.24Å; L492-C516 HydrophobicContact CD1-CB 3.78Å; N493-C516 CarbonylContact O-C 3.6Å; N493-C516 WeakPolarHBondContact O-CA 3.48Å; C494-C516 HydrophobicContact CB-CB 4.1Å; C494-C516 WeakPolarHBondContact CB-SG 3.15Å; C494-C516 WeakPolarHBondContact SG-CB 3.06Å; C494-C516 CovalentContact SG-SG 2.04Å; C494-C516 PolarHBondContact SG-SG 2.89Å
517Q66.6Low70.6Confident44 Ų4439.5 Ų39.521%0.20621%0.212CC..EExtended strand (participates in β ladder)trans-72.6-38.4-169.166.5-179.5-4.800113.3L248 L254 N493 F495 F515L248-Q517 HydrophobicContact CD2-CB 3.85Å; L254-Q517 WeakPolarHBondContact CD2-O 3.47Å; N493-Q517 HydrophobicContact CB-CG 3.72Å; N493-Q517 VanDerWaalsContact CB-NE2 3.32Å; N493-Q517 WeakPolarHBondContact O-CG 3.44Å; N493-Q517 PolarHBondContact O-N 3.32Å; F495-Q517 HydrophobicContact CE2-CG 4.1Å; F515-Q517 HydrophobicContact CD1-CB 4.43Å; F515-Q517 HydrophobicContact CE1-CB 4.01Å
518N63.7Low72.4Confident1 Ų135.3 Ų35.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans179.5170.5-173.7-141.6-40.2000114.6L254 L492 N493 N522 F541L254-N518 HydrophobicContact CD2-CB 4.21Å; L492-N518 WeakPolarHBondContact CA-O 3.29Å; N493-N518 PolarHBondContact N-O 3.37Å; N518-N522 HydrophobicContact CB-CB 4.45Å; N518-N522 WeakPolarHBondContact CB-OD1 3.27Å; N518-N522 VanDerWaalsContact CG-CA 3.45Å; N518-N522 WeakPolarHBondContact ND2-CB 3.49Å; N518-N522 VanDerWaalsContact ND2-CG 3.29Å; N518-N522 PolarHBondContact ND2-OD1 2.8Å; N518-N522 VanDerWaalsContact OD1-CA 3.25Å; N518-N522 WeakPolarHBondContact OD1-CA 3.22Å; N518-F541 WeakPolarHBondContact OD1-CD1 2.85Å; N518-F541 WeakPolarHBondContact OD1-CE1 3.33Å
519S55.3Low73.8Confident0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-65.7156.2161.866.40000112.7N521 N522 S523 T543S519-N521 PolarHBondContact O-N 3.33Å; S519-N521 PolarHBondContact OG-OD1 3.3Å; S519-N521 VanDerWaalsContact OG-OD1 3.11Å; S519-N522 PolarHBondContact O-N 3.03Å; S519-N522 PolarHBondContact O-OD1 3.14Å; S519-N522 PolarHBondContact OG-N 3.18Å; S519-S523 PolarHBondContact OG-N 2.86Å; S519-T543 WeakPolarHBondContact CB-OG1 3.25Å
520Y52.6Low75.1Confident138 Ų13829.9 Ų29.954%0.54116%0.161SC..THydrogen-bonded Turntrans-53.6-25-176-94.7-75.5000115.9
521N63.5Low76Confident60 Ų6026 Ų2632%0.32114%0.141SC..THydrogen-bonded Turntrans-111.93.8179.364.97.4000113.2L348 S519 S523L348-N521 WeakPolarHBondContact CD1-ND2 3.17Å; L348-N521 WeakPolarHBondContact CD2-ND2 3.05Å; S519-N521 PolarHBondContact O-N 3.33Å; S519-N521 PolarHBondContact OG-OD1 3.3Å; S519-N521 VanDerWaalsContact OG-OD1 3.11Å; N521-S523 PolarHBondContact O-N 3.27Å; N521-S523 VanDerWaalsContact O-N 3.16Å; N521-S523 PolarHBondContact O-OG 2.88Å; N521-S523 WeakPolarHBondContact OD1-CB 3.2Å; N521-S523 PolarHBondContact OD1-N 2.89Å; N521-S523 PolarHBondContact OD1-OG 2.95Å
522N70.2Confident76.9Confident36 Ų3632.8 Ų32.819%0.19317%0.166CC..  trans49.133.8-173.9-60-36.3000116.6R342 N518 S519 Y524R342-N522 WeakPolarHBondContact CD-O 2.88Å; R342-N522 WeakPolarHBondContact CG-O 3.41Å; R342-N522 VanDerWaalsContact CZ-ND2 3.34Å; R342-N522 PolarHBondContact NE-O 2.88Å; R342-N522 PolarHBondContact NH1-ND2 1.98Å; R342-N522 PolarHBondContact NH2-ND2 3.32Å; N518-N522 HydrophobicContact CB-CB 4.45Å; N518-N522 WeakPolarHBondContact CB-OD1 3.27Å; N518-N522 VanDerWaalsContact CG-CA 3.45Å; N518-N522 WeakPolarHBondContact ND2-CB 3.49Å; N518-N522 VanDerWaalsContact ND2-CG 3.29Å; N518-N522 PolarHBondContact ND2-OD1 2.8Å; N518-N522 VanDerWaalsContact OD1-CA 3.25Å; N518-N522 WeakPolarHBondContact OD1-CA 3.22Å; S519-N522 PolarHBondContact O-N 3.03Å; S519-N522 PolarHBondContact O-OD1 3.14Å; S519-N522 PolarHBondContact OG-N 3.18Å; N522-Y524 WeakPolarHBondContact O-CD1 3.45Å
523S81.1Confident77.4Confident7 Ų733.3 Ų33.35%0.04917%0.167CC..  trans-95.8124.3179.3-59.10000110.3R342 G343 S519 N521 V542R342-S523 CarbonylContact O-C 3.52Å; R342-S523 WeakPolarHBondContact O-CA 3.37Å; G343-S523 WeakPolarHBondContact CA-OG 3.17Å; S519-S523 PolarHBondContact OG-N 2.86Å; N521-S523 PolarHBondContact O-N 3.27Å; N521-S523 VanDerWaalsContact O-N 3.16Å; N521-S523 PolarHBondContact O-OG 2.88Å; N521-S523 WeakPolarHBondContact OD1-CB 3.2Å; N521-S523 PolarHBondContact OD1-N 2.89Å; N521-S523 PolarHBondContact OD1-OG 2.95Å; S523-V542 VanDerWaalsContact CB-CG2 3.42Å; S523-V542 WeakPolarHBondContact O-CG2 3.32Å; S523-V542 PolarHBondContact O-N 2.82Å
524Y87.5Confident78Confident0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-153.9161.7-175.258.2-104.8000112.1P30 T253 L254 P255 I340 R342 N522 C526 E540 F541P30-Y524 WeakPolarHBondContact CG-OH 3.41Å; T253-Y524 WeakPolarHBondContact O-CE1 3.31Å; T253-Y524 PolarHBondContact O-OH 2.8Å; L254-Y524 PolarHBondContact O-OH 3.29Å; P255-Y524 HydrophobicContact CB-CD2 3.95Å; P255-Y524 HydrophobicContact CB-CE1 4.17Å; P255-Y524 HydrophobicContact CB-CE2 3.56Å; P255-Y524 HydrophobicContact CB-CG 4.45Å; P255-Y524 HydrophobicContact CG-CD1 4.42Å; P255-Y524 HydrophobicContact CG-CE1 4.18Å; P255-Y524 HydrophobicContact CG-CE2 4.4Å; I340-Y524 HydrophobicContact CG2-CE2 4.17Å; R342-Y524 HydrophobicContact CB-CD1 4.06Å; R342-Y524 HydrophobicContact CB-CD2 4.13Å; R342-Y524 HydrophobicContact CB-CE1 3.64Å; R342-Y524 HydrophobicContact CB-CE2 3.68Å; R342-Y524 HydrophobicContact CB-CG 4.29Å; R342-Y524 VanDerWaalsContact CB-CZ 3.41Å; R342-Y524 HydrophobicContact CG-CE1 4.18Å; R342-Y524 PolarHBondContact N-O 2.8Å; R342-Y524 PolarHBondContact O-N 3.45Å; R342-Y524 VanDerWaalsContact O-O 3.11Å; N522-Y524 WeakPolarHBondContact O-CD1 3.45Å; Y524-C526 VanDerWaalsContact CD2-SG 3.52Å; Y524-E540 VanDerWaalsContact CA-O 3.29Å; Y524-E540 WeakPolarHBondContact CA-O 3.26Å; Y524-F541 HydrophobicContact CD1-CD1 4.22Å; Y524-F541 AromaticContact CD1-CE1 3.86Å; Y524-F541 HydrophobicContact CD1-CE1 3.86Å; Y524-F541 HydrophobicContact CG-CD1 4.37Å; Y524-F541 HydrophobicContact CG-CE1 4.15Å
525W90.8Very high78.8Confident21 Ų2136.6 Ų36.68%0.0818%0.18CC..EExtended strand (participates in β ladder)trans-128.1134.9164.4-59.3-91.7000108.7L339 I340 E341 L349 C539 E540 V542 L571 R575L339-W525 HydrophobicContact CD1-CB 4.48Å; I340-W525 CarbonylContact O-C 3.44Å; I340-W525 WeakPolarHBondContact O-CA 3.39Å; E341-W525 VanDerWaalsContact OE1-CD1 3.28Å; E341-W525 PolarHBondContact OE1-NE1 3.18Å; L349-W525 HydrophobicContact CD1-CH2 4.26Å; W525-C539 CarbonylContact O-C 3.57Å; W525-C539 WeakPolarHBondContact O-CA 3.31Å; W525-E540 PolarHBondContact N-O 3.48Å; W525-E540 PolarHBondContact O-N 3.46Å; W525-V542 HydrophobicContact CH2-CG2 3.79Å; W525-V542 HydrophobicContact CZ3-CG2 3.58Å; W525-L571 HydrophobicContact CB-CD1 4.02Å; W525-L571 HydrophobicContact CB-CD2 4.18Å; W525-L571 HydrophobicContact CB-CG 4.36Å; W525-L571 WeakPolarHBondContact O-CD2 3.45Å; W525-R575 HydrophobicContact CB-CG 4.04Å; W525-R575 VanDerWaalsContact CG-CD 3.49Å; W525-R575 HydrophobicContact CG-CG 3.84Å; W525-R575 VanDerWaalsContact CZ2-NH2 3.33Å
526C92.4Very high79.6Confident0 Ų037.1 Ų37.10%018%0.183CC..EExtended strand (participates in β ladder)trans-128.7146.4179.6-49.30000112.4P255 L339 I340 Y524 L537 Y538 C539P255-C526 WeakPolarHBondContact CB-SG 3.43Å; L339-C526 WeakPolarHBondContact CA-O 3.33Å; I340-C526 HydrophobicContact CB-CB 4.17Å; I340-C526 PolarHBondContact N-O 3.22Å; I340-C526 PolarHBondContact O-N 3.39Å; Y524-C526 VanDerWaalsContact CD2-SG 3.52Å; C526-L537 HydrophobicContact CB-CD1 3.76Å; C526-Y538 CarbonylContact C-O 3.59Å; C526-Y538 WeakPolarHBondContact CA-O 3.07Å; C526-Y538 VanDerWaalsContact CB-O 3.27Å; C526-Y538 WeakPolarHBondContact CB-O 3.4Å; C526-C539 HydrophobicContact CB-CB 3.97Å; C526-C539 WeakPolarHBondContact CB-SG 3.1Å; C526-C539 WeakPolarHBondContact SG-CB 3.44Å; C526-C539 CovalentContact SG-SG 2.03Å; C526-C539 PolarHBondContact SG-SG 3.02Å
527L91.1Very high80.6Confident0 Ų036.3 Ų36.30%018%0.177CC..EExtended strand (participates in β ladder)trans-100.5110.4167.2-171.374.7000108F536 Y538 L567 Q570 L571 L574L527-F536 HydrophobicContact CD2-CE2 4.14Å; L527-F536 HydrophobicContact CD2-CZ 4.46Å; L527-Y538 HydrophobicContact CB-CD1 4.35Å; L527-Y538 PolarHBondContact N-O 2.79Å; L527-Y538 PolarHBondContact O-N 2.81Å; L527-L567 HydrophobicContact CD2-CD2 4.06Å; L527-Q570 HydrophobicContact CD1-CG 4.28Å; L527-Q570 HydrophobicContact CD2-CB 4.43Å; L527-Q570 HydrophobicContact CD2-CG 4.17Å; L527-L571 HydrophobicContact CB-CD1 4.4Å; L527-L574 HydrophobicContact CD1-CD1 3.38Å
528R93.6Very high81.7Confident3 Ų334.4 Ų34.41%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-98.9111.8171.6-175.168.5179.694.71108.9F26 D257 S337 V338 I340 N535 F536 L537F26-R528 HydrophobicContact CD1-CG 4.09Å; F26-R528 HydrophobicContact CD2-CG 4.38Å; F26-R528 HydrophobicContact CE1-CG 3.56Å; F26-R528 HydrophobicContact CE2-CG 3.86Å; F26-R528 HydrophobicContact CG-CG 4.48Å; F26-R528 HydrophobicContact CZ-CG 3.42Å; F26-R528 VanDerWaalsContact CZ-CG 3.42Å; D257-R528 IonicContact OD1-CZ 3.24Å; D257-R528 IonicContact OD1-NE 3.62Å; D257-R528 PolarHBondContact OD1-NE 3.19Å; D257-R528 IonicContact OD1-NH2 2.96Å; D257-R528 IonicContact OD2-CZ 3.71Å; D257-R528 IonicContact OD2-NE 2.87Å; D257-R528 IonicContact OD2-NH2 3.41Å; D257-R528 PolarHBondContact OD2-NH2 2.97Å; S337-R528 CarbonylContact C-O 3.55Å; S337-R528 VanDerWaalsContact CA-O 3.28Å; S337-R528 WeakPolarHBondContact CA-O 3.2Å; V338-R528 PolarHBondContact N-O 3.01Å; V338-R528 PolarHBondContact O-N 3.43Å; I340-R528 HydrophobicContact CD1-CB 3.82Å; I340-R528 HydrophobicContact CD1-CG 4.44Å; I340-R528 HydrophobicContact CG1-CB 4.41Å; R528-N535 VanDerWaalsContact CZ-OD1 3.23Å; R528-N535 PolarHBondContact NH1-OD1 2.79Å; R528-N535 PolarHBondContact NH2-OD1 2.93Å; R528-F536 PolarHBondContact NH1-O 3.16Å; R528-L537 HydrophobicContact CB-CD1 4.31Å
529T90.8Very high82.8Confident6 Ų634.4 Ų34.44%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-111.2128.1-177.7-59.30000110.5H336 S337 H534 N535 F536H336-T529 HydrophobicContact CB-CG2 4.37Å; H336-T529 CarbonylContact O-C 3.59Å; H336-T529 VanDerWaalsContact O-CA 3.25Å; H336-T529 WeakPolarHBondContact O-CA 3.36Å; S337-T529 PolarHBondContact OG-OG1 2.9Å; T529-H534 HydrophobicContact CG2-CB 4.31Å; T529-N535 CarbonylContact O-C 3.52Å; T529-N535 WeakPolarHBondContact O-CA 3.19Å; T529-F536 HydrophobicContact CG2-CD1 4.29Å; T529-F536 HydrophobicContact CG2-CE1 3.62Å; T529-F536 HydrophobicContact CG2-CZ 3.81Å; T529-F536 PolarHBondContact N-O 3.17Å; T529-F536 PolarHBondContact O-N 3.21Å; T529-F536 WeakPolarHBondContact OG1-CE2 3.44Å; T529-F536 WeakPolarHBondContact OG1-CZ 3.04Å
530V90.8Very high84.3Confident6 Ų635.2 Ų35.24%0.03617%0.172CC..EExtended strand (participates in β ladder)trans-136.9122.8173-171.20000110S24 F26 L283 P285 H336 H534S24-V530 WeakPolarHBondContact OG-CG1 3.2Å; F26-V530 HydrophobicContact CE2-CG2 4.17Å; F26-V530 HydrophobicContact CZ-CG2 3.96Å; L283-V530 HydrophobicContact CD1-CG1 3.92Å; L283-V530 HydrophobicContact CG-CG1 4.43Å; P285-V530 WeakPolarHBondContact CD-O 3.25Å; H336-V530 PolarHBondContact O-N 2.82Å; V530-H534 CarbonylContact C-O 3.47Å; V530-H534 WeakPolarHBondContact CA-O 3.22Å
531N86.5Confident85.7Confident30 Ų3028.7 Ų28.716%0.1615%0.146CC..SBendtrans-152-168.9168.566.236.7000109.3H336 T533 H534H336-N531 HydrophobicContact CB-CB 4.32Å; N531-T533 PolarHBondContact O-N 2.78Å; N531-T533 PolarHBondContact OD1-N 2.98Å; N531-T533 PolarHBondContact OD1-OG1 3.04Å; N531-T533 VanDerWaalsContact OD1-OG1 3.06Å; N531-H534 PolarHBondContact N-O 3.48Å; N531-H534 WeakPolarHBondContact OD1-CB 3.22Å; N531-H534 PolarHBondContact OD1-N 3.41Å
532E84.3Confident86.2Confident171 Ų17126.7 Ų26.780%0.79914%0.136SC*.SBendtrans-62-27.8-176.9-66.1168.4-161.900114.1L283L283-E532 HydrophobicContact CD2-CG 4.23Å
533T79.4Confident86.1Confident103 Ų10327.2 Ų27.263%0.63214%0.141SC*.SBendtrans-113-24.2-173.749.50000113.4N531N531-T533 PolarHBondContact O-N 2.78Å; N531-T533 PolarHBondContact OD1-N 2.98Å; N531-T533 PolarHBondContact OD1-OG1 3.04Å; N531-T533 VanDerWaalsContact OD1-OG1 3.06Å
534H84Confident85.5Confident93 Ų9329.1 Ų29.143%0.43116%0.162SC..  trans-125.7133.2-172.3-63.680.9000110.8T529 V530 N531 F536T529-H534 HydrophobicContact CG2-CB 4.31Å; V530-H534 CarbonylContact C-O 3.47Å; V530-H534 WeakPolarHBondContact CA-O 3.22Å; N531-H534 PolarHBondContact N-O 3.48Å; N531-H534 WeakPolarHBondContact OD1-CB 3.22Å; N531-H534 PolarHBondContact OD1-N 3.41Å; H534-F536 HydrophobicContact CB-CD1 3.97Å; H534-F536 HydrophobicContact CB-CE1 4.02Å
535N89.6Confident84.8Confident30 Ų3031 Ų3116%0.1617%0.17CC..EExtended strand (participates in β ladder)trans-143.286.4173.1-178.39.2000107.6R528 T529 I551 N552R528-N535 VanDerWaalsContact CZ-OD1 3.23Å; R528-N535 PolarHBondContact NH1-OD1 2.79Å; R528-N535 PolarHBondContact NH2-OD1 2.93Å; T529-N535 CarbonylContact O-C 3.52Å; T529-N535 WeakPolarHBondContact O-CA 3.19Å; N535-I551 HydrophobicContact CB-CB 4.49Å; N535-I551 WeakPolarHBondContact O-CB 3.38Å; N535-I551 WeakPolarHBondContact O-CG1 3.42Å; N535-I551 PolarHBondContact O-N 3.18Å; N535-N552 WeakPolarHBondContact CB-ND2 3.28Å; N535-N552 VanDerWaalsContact CB-OD1 3.26Å; N535-N552 WeakPolarHBondContact CB-OD1 3.41Å; N535-N552 PolarHBondContact ND2-OD1 2.94Å
536F89.1Confident84.3Confident14 Ų1431.9 Ų31.96%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-134.5159.6-174.867.7-100.9000113.3L527 R528 T529 H534 Y548 Y549 L567L527-F536 HydrophobicContact CD2-CE2 4.14Å; L527-F536 HydrophobicContact CD2-CZ 4.46Å; R528-F536 PolarHBondContact NH1-O 3.16Å; T529-F536 HydrophobicContact CG2-CD1 4.29Å; T529-F536 HydrophobicContact CG2-CE1 3.62Å; T529-F536 HydrophobicContact CG2-CZ 3.81Å; T529-F536 PolarHBondContact N-O 3.17Å; T529-F536 PolarHBondContact O-N 3.21Å; T529-F536 WeakPolarHBondContact OG1-CE2 3.44Å; T529-F536 WeakPolarHBondContact OG1-CZ 3.04Å; H534-F536 HydrophobicContact CB-CD1 3.97Å; H534-F536 HydrophobicContact CB-CE1 4.02Å; F536-Y548 HydrophobicContact CB-CE2 3.86Å; F536-Y548 HydrophobicContact CD1-CE2 4.48Å; F536-Y548 HydrophobicContact CD2-CD2 4.37Å; F536-Y548 AromaticContact CD2-CE2 3.72Å; F536-Y548 HydrophobicContact CD2-CE2 3.72Å; F536-Y548 HydrophobicContact CE2-CE2 4.38Å; F536-Y548 AromaticContact CG-CE2 3.79Å; F536-Y548 HydrophobicContact CG-CE2 3.79Å; F536-Y549 CarbonylContact C-O 3.54Å; F536-Y549 WeakPolarHBondContact CA-O 3.41Å; F536-Y549 VanDerWaalsContact CB-O 3.28Å; F536-Y549 WeakPolarHBondContact CB-O 3.28Å; F536-L567 HydrophobicContact CE2-CD1 4.15Å; F536-L567 HydrophobicContact CE2-CD2 3.8Å; F536-L567 HydrophobicContact CZ-CD2 3.65Å
537L90.4Very high83.7Confident0 Ų031.9 Ų31.90%018%0.178CC..EExtended strand (participates in β ladder)trans-124.5114.3172.1175.566.2000108.6Y256 I340 C526 R528 Y548 Y549 I551Y256-L537 HydrophobicContact CD1-CD2 4.36Å; I340-L537 HydrophobicContact CD1-CD1 4.45Å; C526-L537 HydrophobicContact CB-CD1 3.76Å; R528-L537 HydrophobicContact CB-CD1 4.31Å; L537-Y548 WeakPolarHBondContact O-CA 3.32Å; L537-Y549 HydrophobicContact CD2-CD2 4.35Å; L537-Y549 PolarHBondContact N-O 3.43Å; L537-Y549 PolarHBondContact O-N 3.21Å; L537-I551 HydrophobicContact CB-CD1 4.39Å
538Y88.6Confident83.4Confident4 Ų433.8 Ų33.82%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-110.4129173.9170.5-101000109.2C526 L527 E540 V546 S547 Y548 L567 L571C526-Y538 CarbonylContact C-O 3.59Å; C526-Y538 WeakPolarHBondContact CA-O 3.07Å; C526-Y538 VanDerWaalsContact CB-O 3.27Å; C526-Y538 WeakPolarHBondContact CB-O 3.4Å; L527-Y538 HydrophobicContact CB-CD1 4.35Å; L527-Y538 PolarHBondContact N-O 2.79Å; L527-Y538 PolarHBondContact O-N 2.81Å; Y538-E540 HydrophobicContact CE1-CG 3.82Å; Y538-E540 WeakPolarHBondContact OH-CG 3.45Å; Y538-E540 PolarHBondContact OH-OE1 3.07Å; Y538-V546 HydrophobicContact CD2-CG1 4.1Å; Y538-V546 HydrophobicContact CE2-CG1 3.28Å; Y538-S547 CarbonylContact C-O 3.56Å; Y538-S547 WeakPolarHBondContact CA-O 3.02Å; Y538-Y548 HydrophobicContact CD2-CD2 4.32Å; Y538-L567 HydrophobicContact CD1-CB 3.91Å; Y538-L567 HydrophobicContact CD2-CB 4.19Å; Y538-L567 HydrophobicContact CD2-CD1 4.02Å; Y538-L567 HydrophobicContact CE1-CB 4.05Å; Y538-L567 HydrophobicContact CE2-CB 4.29Å; Y538-L567 HydrophobicContact CG-CB 3.99Å; Y538-L567 HydrophobicContact CG-CD1 4.08Å; Y538-L571 HydrophobicContact CD1-CD2 4.05Å; Y538-L571 HydrophobicContact CE1-CB 4.32Å; Y538-L571 HydrophobicContact CE1-CD2 3.72Å
539C88.2Confident82.9Confident0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-131138.1-179.5-63.90000112.4W525 C526 F541 V546 S547W525-C539 CarbonylContact O-C 3.57Å; W525-C539 WeakPolarHBondContact O-CA 3.31Å; C526-C539 HydrophobicContact CB-CB 3.97Å; C526-C539 WeakPolarHBondContact CB-SG 3.1Å; C526-C539 WeakPolarHBondContact SG-CB 3.44Å; C526-C539 CovalentContact SG-SG 2.03Å; C526-C539 PolarHBondContact SG-SG 3.02Å; C539-F541 HydrophobicContact CB-CD2 4.29Å; C539-F541 HydrophobicContact CB-CE2 3.65Å; C539-F541 HydrophobicContact CB-CZ 4.17Å; C539-V546 CarbonylContact O-C 3.59Å; C539-V546 VanDerWaalsContact O-CA 3.26Å; C539-V546 WeakPolarHBondContact O-CA 3.49Å; C539-S547 WeakPolarHBondContact CB-OG 3.42Å; C539-S547 PolarHBondContact N-O 2.84Å; C539-S547 PolarHBondContact O-N 3.24Å
540E85.4Confident82.7Confident17 Ų1735 Ų358%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-110.3120.8167.1-68.5-179-167.700110.1Y524 W525 Y538 V546 S568 L571 R575Y524-E540 VanDerWaalsContact CA-O 3.29Å; Y524-E540 WeakPolarHBondContact CA-O 3.26Å; W525-E540 PolarHBondContact N-O 3.48Å; W525-E540 PolarHBondContact O-N 3.46Å; Y538-E540 HydrophobicContact CE1-CG 3.82Å; Y538-E540 WeakPolarHBondContact OH-CG 3.45Å; Y538-E540 PolarHBondContact OH-OE1 3.07Å; E540-V546 HydrophobicContact CG-CG2 4.27Å; E540-S568 WeakPolarHBondContact OE1-CA 2.91Å; E540-S568 WeakPolarHBondContact OE1-CB 3.49Å; E540-S568 PolarHBondContact OE1-OG 3.43Å; E540-L571 HydrophobicContact CB-CD2 3.98Å; E540-L571 HydrophobicContact CG-CD2 3.74Å; E540-R575 IonicContact OE2-NH1 2.92Å; E540-R575 PolarHBondContact OE2-NH1 2.56Å
541F81.5Confident82.5Confident1 Ų135.5 Ų35.50%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-93.3151.3177.9-63.6-102000110.4P255 R352 N518 Y524 C539 T543 G544 F545P255-F541 HydrophobicContact CG-CE1 4.49Å; P255-F541 HydrophobicContact CG-CZ 4.1Å; R352-F541 PolarHBondContact NH1-O 2.75Å; N518-F541 WeakPolarHBondContact OD1-CD1 2.85Å; N518-F541 WeakPolarHBondContact OD1-CE1 3.33Å; Y524-F541 HydrophobicContact CD1-CD1 4.22Å; Y524-F541 AromaticContact CD1-CE1 3.86Å; Y524-F541 HydrophobicContact CD1-CE1 3.86Å; Y524-F541 HydrophobicContact CG-CD1 4.37Å; Y524-F541 HydrophobicContact CG-CE1 4.15Å; C539-F541 HydrophobicContact CB-CD2 4.29Å; C539-F541 HydrophobicContact CB-CE2 3.65Å; C539-F541 HydrophobicContact CB-CZ 4.17Å; F541-T543 PolarHBondContact O-N 3.25Å; F541-T543 VanDerWaalsContact O-N 3.11Å; F541-G544 PolarHBondContact O-N 2.94Å; F541-F545 HydrophobicContact CB-CB 4.21Å; F541-F545 WeakPolarHBondContact CB-O 3.36Å; F541-F545 HydrophobicContact CD2-CB 4.32Å; F541-F545 AromaticContact CD2-CD1 3.4Å; F541-F545 HydrophobicContact CD2-CD1 3.4Å; F541-F545 VanDerWaalsContact CD2-CD1 3.4Å; F541-F545 HydrophobicContact CD2-CE1 4.16Å; F541-F545 HydrophobicContact CD2-CG 4.26Å; F541-F545 WeakPolarHBondContact CD2-O 3.19Å; F541-F545 AromaticContact CE2-CD1 3.58Å; F541-F545 HydrophobicContact CE2-CD1 3.58Å; F541-F545 AromaticContact CE2-CE1 3.85Å; F541-F545 HydrophobicContact CE2-CE1 3.85Å; F541-F545 HydrophobicContact CG-CB 4.49Å; F541-F545 HydrophobicContact CG-CD1 4.06Å; F541-F545 HydrophobicContact CZ-CD1 4.36Å; F541-F545 PolarHBondContact N-O 2.85Å
542V74.1Confident82.4Confident19 Ų1938.7 Ų38.712%0.11521%0.211CC..THydrogen-bonded Turntrans-60.3-24.9179174.10000112.4L348 S523 W525 G544L348-V542 HydrophobicContact CB-CG1 4.14Å; L348-V542 HydrophobicContact CD2-CG1 4.22Å; S523-V542 VanDerWaalsContact CB-CG2 3.42Å; S523-V542 WeakPolarHBondContact O-CG2 3.32Å; S523-V542 PolarHBondContact O-N 2.82Å; W525-V542 HydrophobicContact CH2-CG2 3.79Å; W525-V542 HydrophobicContact CZ3-CG2 3.58Å; V542-G544 PolarHBondContact O-N 2.82Å
543T68.7Low82.4Confident46 Ų4639 Ų3928%0.28221%0.209SC..THydrogen-bonded Turntrans-73.9-2.3175.8480000114.5N491 S519 F541 F545N491-T543 HydrophobicContact CB-CG2 3.88Å; S519-T543 WeakPolarHBondContact CB-OG1 3.25Å; F541-T543 PolarHBondContact O-N 3.25Å; F541-T543 VanDerWaalsContact O-N 3.11Å; T543-F545 VanDerWaalsContact C-N 3.29Å
544G69.4Low82.4Confident48 Ų4835.2 Ų35.250%0.49519%0.185SC..SBendtrans85.5-2.4-175.200000113.9F541 V542F541-G544 PolarHBondContact O-N 2.94Å; V542-G544 PolarHBondContact O-N 2.82Å
545F72.8Confident82.1Confident40 Ų4034.4 Ų34.418%0.17519%0.188CC..  trans-68.1141.5169.7178.7-115.5000110.2L492 F541 T543L492-F545 HydrophobicContact CD1-CB 4.29Å; L492-F545 HydrophobicContact CD1-CD1 3.58Å; L492-F545 HydrophobicContact CD1-CD2 3.48Å; L492-F545 VanDerWaalsContact CD1-CD2 3.48Å; L492-F545 HydrophobicContact CD1-CE1 3.64Å; L492-F545 HydrophobicContact CD1-CE2 3.53Å; L492-F545 HydrophobicContact CD1-CG 3.5Å; L492-F545 HydrophobicContact CD1-CZ 3.62Å; L492-F545 HydrophobicContact CD2-CB 3.92Å; L492-F545 HydrophobicContact CD2-CD1 3.6Å; L492-F545 HydrophobicContact CD2-CE1 4.26Å; L492-F545 HydrophobicContact CD2-CG 3.79Å; L492-F545 HydrophobicContact CG-CB 4.31Å; L492-F545 HydrophobicContact CG-CD1 4.16Å; L492-F545 HydrophobicContact CG-CD2 4.36Å; L492-F545 HydrophobicContact CG-CG 4.03Å; F541-F545 HydrophobicContact CB-CB 4.21Å; F541-F545 WeakPolarHBondContact CB-O 3.36Å; F541-F545 HydrophobicContact CD2-CB 4.32Å; F541-F545 AromaticContact CD2-CD1 3.4Å; F541-F545 HydrophobicContact CD2-CD1 3.4Å; F541-F545 VanDerWaalsContact CD2-CD1 3.4Å; F541-F545 HydrophobicContact CD2-CE1 4.16Å; F541-F545 HydrophobicContact CD2-CG 4.26Å; F541-F545 WeakPolarHBondContact CD2-O 3.19Å; F541-F545 AromaticContact CE2-CD1 3.58Å; F541-F545 HydrophobicContact CE2-CD1 3.58Å; F541-F545 AromaticContact CE2-CE1 3.85Å; F541-F545 HydrophobicContact CE2-CE1 3.85Å; F541-F545 HydrophobicContact CG-CB 4.49Å; F541-F545 HydrophobicContact CG-CD1 4.06Å; F541-F545 HydrophobicContact CZ-CD1 4.36Å; F541-F545 PolarHBondContact N-O 2.85Å; T543-F545 VanDerWaalsContact C-N 3.29Å
546V78.8Confident81.3Confident38 Ų3835.9 Ų35.923%0.2319%0.193CC..EExtended strand (participates in β ladder)trans-128.2132.6176.8-179.40000107.3Y538 C539 E540 I563Y538-V546 HydrophobicContact CD2-CG1 4.1Å; Y538-V546 HydrophobicContact CE2-CG1 3.28Å; C539-V546 CarbonylContact O-C 3.59Å; C539-V546 VanDerWaalsContact O-CA 3.26Å; C539-V546 WeakPolarHBondContact O-CA 3.49Å; E540-V546 HydrophobicContact CG-CG2 4.27Å; V546-I563 HydrophobicContact CB-CD1 4.1Å; V546-I563 HydrophobicContact CB-CG1 4.41Å; V546-I563 HydrophobicContact CG1-CD1 4.22Å; V546-I563 HydrophobicContact CG1-CG1 4.03Å; V546-I563 HydrophobicContact CG2-CD1 4.44Å
547S80Confident80.7Confident1 Ų135.5 Ų35.51%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-121.4145.8174.968.70000110.6Y538 C539 D560Y538-S547 CarbonylContact C-O 3.56Å; Y538-S547 WeakPolarHBondContact CA-O 3.02Å; C539-S547 WeakPolarHBondContact CB-OG 3.42Å; C539-S547 PolarHBondContact N-O 2.84Å; C539-S547 PolarHBondContact O-N 3.24Å; S547-D560 VanDerWaalsContact CA-OD1 3.27Å; S547-D560 WeakPolarHBondContact CA-OD1 3.33Å; S547-D560 WeakPolarHBondContact CB-OD1 3.29Å
548Y85Confident79.5Confident39 Ų3936.8 Ų36.815%0.15320%0.2CC..EExtended strand (participates in β ladder)trans-141.1122.1175.6174.8-85.9000109.3F536 L537 Y538 D550 D560 V561 L567F536-Y548 HydrophobicContact CB-CE2 3.86Å; F536-Y548 HydrophobicContact CD1-CE2 4.48Å; F536-Y548 HydrophobicContact CD2-CD2 4.37Å; F536-Y548 AromaticContact CD2-CE2 3.72Å; F536-Y548 HydrophobicContact CD2-CE2 3.72Å; F536-Y548 HydrophobicContact CE2-CE2 4.38Å; F536-Y548 AromaticContact CG-CE2 3.79Å; F536-Y548 HydrophobicContact CG-CE2 3.79Å; L537-Y548 WeakPolarHBondContact O-CA 3.32Å; Y538-Y548 HydrophobicContact CD2-CD2 4.32Å; Y548-D550 HydrophobicContact CE1-CB 4.1Å; Y548-D560 PolarHBondContact N-OD1 3.45Å; Y548-V561 HydrophobicContact CD1-CB 4.02Å; Y548-V561 HydrophobicContact CD1-CG2 4.43Å; Y548-V561 PolarHBondContact O-N 3.01Å; Y548-L567 HydrophobicContact CD2-CD1 3.78Å; Y548-L567 HydrophobicContact CE2-CD1 3.73Å
549Y84.1Confident78.2Confident7 Ų740.4 Ų40.43%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-123.8119.2177.8-54.7-74.5000110.1Y256 F536 L537 I551 Q557 D560Y256-Y549 HydrophobicContact CD1-CE2 4.46Å; Y256-Y549 HydrophobicContact CE1-CD2 4.5Å; Y256-Y549 AromaticContact CE1-CE2 3.71Å; Y256-Y549 HydrophobicContact CE1-CE2 3.71Å; F536-Y549 CarbonylContact C-O 3.54Å; F536-Y549 WeakPolarHBondContact CA-O 3.41Å; F536-Y549 VanDerWaalsContact CB-O 3.28Å; F536-Y549 WeakPolarHBondContact CB-O 3.28Å; L537-Y549 HydrophobicContact CD2-CD2 4.35Å; L537-Y549 PolarHBondContact N-O 3.43Å; L537-Y549 PolarHBondContact O-N 3.21Å; Y549-I551 PolarHBondContact O-N 2.96Å; Y549-Q557 VanDerWaalsContact CD1-C 3.48Å; Y549-Q557 HydrophobicContact CD1-CB 3.67Å; Y549-Q557 HydrophobicContact CD1-CG 4.44Å; Y549-Q557 HydrophobicContact CD2-CB 3.85Å; Y549-Q557 HydrophobicContact CD2-CG 4.2Å; Y549-Q557 HydrophobicContact CE1-CB 4Å; Y549-Q557 VanDerWaalsContact CE1-O 3.27Å; Y549-Q557 WeakPolarHBondContact CE1-O 3.34Å; Y549-Q557 HydrophobicContact CE2-CB 4.18Å; Y549-Q557 HydrophobicContact CG-CB 3.56Å; Y549-Q557 HydrophobicContact CG-CG 3.91Å; Y549-D560 WeakPolarHBondContact CE1-OD1 3.25Å; Y549-D560 VanDerWaalsContact CZ-OD1 3.24Å
550D85.7Confident77.1Confident29 Ų2943.7 Ų43.716%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-82.7101.1164.5179.1-7.7000107.9Y548 N552 K553 D554Y548-D550 HydrophobicContact CE1-CB 4.1Å; D550-N552 PolarHBondContact O-N 3.07Å; D550-N552 WeakPolarHBondContact OD1-CB 3.39Å; D550-N552 PolarHBondContact OD1-N 3.15Å; D550-N552 VanDerWaalsContact OD1-N 3.14Å; D550-K553 HydrophobicContact CB-CB 4.44Å; D550-K553 PolarHBondContact O-N 2.75Å; D550-K553 VanDerWaalsContact OD2-CD 3.26Å; D550-K553 WeakPolarHBondContact OD2-CD 3.17Å; D550-K553 VanDerWaalsContact OD2-CE 3.26Å; D550-K553 WeakPolarHBondContact OD2-CE 3.26Å; D550-K553 IonicContact OD2-NZ 2.75Å; D550-K553 PolarHBondContact OD2-NZ 3.14Å; D550-D554 PolarHBondContact O-N 3.09Å
551I87.5Confident75.9Confident15 Ų1547 Ų478%0.07726%0.264CS..THydrogen-bonded Turntrans-65.2-21.5-173.4-50.7-59.6000111.8N535 L537 Y549 K553 P555 Q557N535-I551 HydrophobicContact CB-CB 4.49Å; N535-I551 WeakPolarHBondContact O-CB 3.38Å; N535-I551 WeakPolarHBondContact O-CG1 3.42Å; N535-I551 PolarHBondContact O-N 3.18Å; L537-I551 HydrophobicContact CB-CD1 4.39Å; Y549-I551 PolarHBondContact O-N 2.96Å; I551-K553 VanDerWaalsContact C-N 3.34Å; I551-P555 VanDerWaalsContact O-CA 3.28Å; I551-P555 WeakPolarHBondContact O-CA 3.32Å; I551-P555 WeakPolarHBondContact O-CG 3.29Å; I551-Q557 HydrophobicContact CD1-CG 3.32Å
552N84.7Confident74.6Confident98 Ų9852.7 Ų52.752%0.52430%0.301SS..THydrogen-bonded Turntrans-70.5-33.2174.4-66.4-28.9000111.7N535 D550N535-N552 WeakPolarHBondContact CB-ND2 3.28Å; N535-N552 VanDerWaalsContact CB-OD1 3.26Å; N535-N552 WeakPolarHBondContact CB-OD1 3.41Å; N535-N552 PolarHBondContact ND2-OD1 2.94Å; D550-N552 PolarHBondContact O-N 3.07Å; D550-N552 WeakPolarHBondContact OD1-CB 3.39Å; D550-N552 PolarHBondContact OD1-N 3.15Å; D550-N552 VanDerWaalsContact OD1-N 3.14Å
553K83.7Confident74Confident178 Ų17856.7 Ų56.777%0.77432%0.321SS*.THydrogen-bonded Turntrans-96-33.1179.6-65.3177.2-172152.30112.7D550 I551D550-K553 HydrophobicContact CB-CB 4.44Å; D550-K553 PolarHBondContact O-N 2.75Å; D550-K553 VanDerWaalsContact OD2-CD 3.26Å; D550-K553 WeakPolarHBondContact OD2-CD 3.17Å; D550-K553 VanDerWaalsContact OD2-CE 3.26Å; D550-K553 WeakPolarHBondContact OD2-CE 3.26Å; D550-K553 IonicContact OD2-NZ 2.75Å; D550-K553 PolarHBondContact OD2-NZ 3.14Å; I551-K553 VanDerWaalsContact C-N 3.34Å
554D78.8Confident73.7Confident23 Ų2358.9 Ų58.912%0.12333%0.33CS..  trans-128.674.7-179.7-17611000110.5D550 F556 Q557 V558 S559D550-D554 PolarHBondContact O-N 3.09Å; D554-F556 PolarHBondContact O-N 2.98Å; D554-F556 PolarHBondContact OD1-N 3.09Å; D554-Q557 PolarHBondContact O-N 2.02Å; D554-Q557 PolarHBondContact OD1-N 2.81Å; D554-Q557 VanDerWaalsContact OD2-CA 3.31Å; D554-Q557 WeakPolarHBondContact OD2-CA 3.06Å; D554-V558 VanDerWaalsContact CG-N 3.32Å; D554-V558 PolarHBondContact OD1-N 3.22Å; D554-V558 PolarHBondContact OD2-N 3.38Å; D554-S559 PolarHBondContact OD2-N 3.26Å
555P78.4Confident73.5Confident76 Ų7664.9 Ų64.949%0.49435%0.346SS..THydrogen-bonded Turntrans-59.8-14179.2-2333.1000113.9I551I551-P555 VanDerWaalsContact O-CA 3.28Å; I551-P555 WeakPolarHBondContact O-CA 3.32Å; I551-P555 WeakPolarHBondContact O-CG 3.29Å
556F72.5Confident73.4Confident60 Ų6070.1 Ų70.126%0.26337%0.37SS..THydrogen-bonded Turntrans-105.4-6.2-176.4-59.7-55.3000112.7R193 T194 F246 D554 V558R193-F556 HydrophobicContact CB-CE2 4.31Å; R193-F556 HydrophobicContact CB-CZ 4.07Å; T194-F556 HydrophobicContact CG2-CB 3.72Å; T194-F556 HydrophobicContact CG2-CD1 3.25Å; T194-F556 HydrophobicContact CG2-CD2 4.2Å; T194-F556 HydrophobicContact CG2-CE1 3.87Å; T194-F556 HydrophobicContact CG2-CG 3.44Å; T194-F556 VanDerWaalsContact CG2-CG 3.44Å; F246-F556 HydrophobicContact CE1-CB 4.09Å; F246-F556 HydrophobicContact CZ-CB 3.9Å; F246-F556 WeakPolarHBondContact CZ-O 3.47Å; D554-F556 PolarHBondContact O-N 2.98Å; D554-F556 PolarHBondContact OD1-N 3.09Å; F556-V558 HydrophobicContact CB-CG2 3.87Å
557Q75.9Confident73.6Confident6 Ų669 Ų693%0.02836%0.363CS..  trans55.753.9176.9-52.9154.3140.300111.8Y256 Y549 I551 D554Y256-Q557 HydrophobicContact CD1-CB 4.06Å; Y256-Q557 HydrophobicContact CE1-CB 4.3Å; Y549-Q557 VanDerWaalsContact CD1-C 3.48Å; Y549-Q557 HydrophobicContact CD1-CB 3.67Å; Y549-Q557 HydrophobicContact CD1-CG 4.44Å; Y549-Q557 HydrophobicContact CD2-CB 3.85Å; Y549-Q557 HydrophobicContact CD2-CG 4.2Å; Y549-Q557 HydrophobicContact CE1-CB 4Å; Y549-Q557 VanDerWaalsContact CE1-O 3.27Å; Y549-Q557 WeakPolarHBondContact CE1-O 3.34Å; Y549-Q557 HydrophobicContact CE2-CB 4.18Å; Y549-Q557 HydrophobicContact CG-CB 3.56Å; Y549-Q557 HydrophobicContact CG-CG 3.91Å; I551-Q557 HydrophobicContact CD1-CG 3.32Å; D554-Q557 PolarHBondContact O-N 2.02Å; D554-Q557 PolarHBondContact OD1-N 2.81Å; D554-Q557 VanDerWaalsContact OD2-CA 3.31Å; D554-Q557 WeakPolarHBondContact OD2-CA 3.06Å
558V66.2Low73.6Confident28 Ų2871 Ų7117%0.1738%0.377CS..  trans-103.4-33.1-179.1-178.30000112.6F246 F513 D554 F556F246-V558 HydrophobicContact CD1-CG2 4.4Å; F246-V558 HydrophobicContact CE1-CG2 3.7Å; F246-V558 HydrophobicContact CZ-CG2 4.44Å; F513-V558 HydrophobicContact CB-CG1 4.06Å; F513-V558 HydrophobicContact CD2-CG1 3.52Å; F513-V558 HydrophobicContact CE2-CG1 4.2Å; F513-V558 HydrophobicContact CG-CG1 3.99Å; D554-V558 VanDerWaalsContact CG-N 3.32Å; D554-V558 PolarHBondContact OD1-N 3.22Å; D554-V558 PolarHBondContact OD2-N 3.38Å; F556-V558 HydrophobicContact CB-CG2 3.87Å
559S61.2Low73.4Confident79 Ų7971.7 Ų71.755%0.55239%0.391SS*.  trans-117.5113.1-172.3-57.20000112D554D554-S559 PolarHBondContact OD2-N 3.26Å
560D64.1Low73.3Confident69 Ų6974 Ų7437%0.36940%0.402SS..  trans-77.5143.9176.3-76.6-49.6000112.6S547 Y548 Y549S547-D560 VanDerWaalsContact CA-OD1 3.27Å; S547-D560 WeakPolarHBondContact CA-OD1 3.33Å; S547-D560 WeakPolarHBondContact CB-OD1 3.29Å; Y548-D560 PolarHBondContact N-OD1 3.45Å; Y549-D560 WeakPolarHBondContact CE1-OD1 3.25Å; Y549-D560 VanDerWaalsContact CZ-OD1 3.24Å
561V59.9Low73.4Confident86 Ų8672.6 Ų72.652%0.52140%0.395SS..  trans-114.1140.2172.6-170.30000110.6Y548 I563Y548-V561 HydrophobicContact CD1-CB 4.02Å; Y548-V561 HydrophobicContact CD1-CG2 4.43Å; Y548-V561 PolarHBondContact O-N 3.01Å; V561-I563 PolarHBondContact O-N 2.75Å; V561-I563 VanDerWaalsContact O-N 3.07Å
562P55.5Low73.3Confident122 Ų12274.8 Ų74.879%0.79241%0.406SS*.  trans-66.1107.6-177.8-19.531.8000114.5
563I60.4Low73.4Confident102 Ų10274.6 Ų74.652%0.52340%0.401SS..  trans30.7119.2143.9-51.4173.3000119.4V546 V561V546-I563 HydrophobicContact CB-CD1 4.1Å; V546-I563 HydrophobicContact CB-CG1 4.41Å; V546-I563 HydrophobicContact CG1-CD1 4.22Å; V546-I563 HydrophobicContact CG1-CG1 4.03Å; V546-I563 HydrophobicContact CG2-CD1 4.44Å; V561-I563 PolarHBondContact O-N 2.75Å; V561-I563 VanDerWaalsContact O-N 3.07Å
564L62.6Low73.6Confident92 Ų9266.4 Ų66.448%0.48237%0.365SS..  trans-100.3119.7159.1-82.5127000110.2Q566 L567L564-Q566 PolarHBondContact O-N 3.08Å; L564-Q566 VanDerWaalsContact O-N 3.11Å; L564-L567 HydrophobicContact CB-CD1 4.16Å; L564-L567 HydrophobicContact CB-CG 4.03Å; L564-L567 HydrophobicContact CD1-CD1 4.36Å; L564-L567 PolarHBondContact O-N 3.04Å; L564-L567 VanDerWaalsContact O-N 3.09Å
565E65Low74.1Confident175 Ų17566.5 Ų66.582%0.81836%0.364SS*.Hα-helixtrans-52.5-32.5174.3-70.5-176.4159.200112.9L567 S568 A569E565-L567 VanDerWaalsContact C-N 3.3Å; E565-L567 PolarHBondContact O-N 3.28Å; E565-S568 PolarHBondContact O-N 3.23Å; E565-A569 PolarHBondContact O-N 2.98Å
566Q71.2Confident74.7Confident149 Ų14969.7 Ų69.770%0.69637%0.366SS*.Hα-helixtrans-60-36.7179.6-65.1179.3-5.100112.9L564 A569 Q570L564-Q566 PolarHBondContact O-N 3.08Å; L564-Q566 VanDerWaalsContact O-N 3.11Å; Q566-A569 PolarHBondContact O-N 3.18Å; Q566-Q570 PolarHBondContact O-N 3.27Å; Q566-Q570 VanDerWaalsContact O-N 3.14Å
567L82.8Confident75.6Confident16 Ų1666.9 Ų66.98%0.08435%0.354CS..Hα-helixtrans-71-35.2-179.3-62.4179000111.6L527 F536 Y538 Y548 L564 E565 Q570 L571L527-L567 HydrophobicContact CD2-CD2 4.06Å; F536-L567 HydrophobicContact CE2-CD1 4.15Å; F536-L567 HydrophobicContact CE2-CD2 3.8Å; F536-L567 HydrophobicContact CZ-CD2 3.65Å; Y538-L567 HydrophobicContact CD1-CB 3.91Å; Y538-L567 HydrophobicContact CD2-CB 4.19Å; Y538-L567 HydrophobicContact CD2-CD1 4.02Å; Y538-L567 HydrophobicContact CE1-CB 4.05Å; Y538-L567 HydrophobicContact CE2-CB 4.29Å; Y538-L567 HydrophobicContact CG-CB 3.99Å; Y538-L567 HydrophobicContact CG-CD1 4.08Å; Y548-L567 HydrophobicContact CD2-CD1 3.78Å; Y548-L567 HydrophobicContact CE2-CD1 3.73Å; L564-L567 HydrophobicContact CB-CD1 4.16Å; L564-L567 HydrophobicContact CB-CG 4.03Å; L564-L567 HydrophobicContact CD1-CD1 4.36Å; L564-L567 PolarHBondContact O-N 3.04Å; L564-L567 VanDerWaalsContact O-N 3.09Å; E565-L567 VanDerWaalsContact C-N 3.3Å; E565-L567 PolarHBondContact O-N 3.28Å; L567-Q570 PolarHBondContact O-N 3.07Å; L567-L571 WeakPolarHBondContact O-CB 3.46Å; L567-L571 PolarHBondContact O-N 2.99Å
568S80.8Confident76.5Confident43 Ų4373.3 Ų73.330%0.30138%0.382SS..Hα-helixtrans-63.4-44.9175.3-171.30000111.4E540 E565 Q570 L571 D572E540-S568 WeakPolarHBondContact OE1-CA 2.91Å; E540-S568 WeakPolarHBondContact OE1-CB 3.49Å; E540-S568 PolarHBondContact OE1-OG 3.43Å; E565-S568 PolarHBondContact O-N 3.23Å; S568-Q570 PolarHBondContact O-N 3.07Å; S568-L571 PolarHBondContact O-N 3.37Å; S568-D572 WeakPolarHBondContact O-CB 3.5Å; S568-D572 PolarHBondContact O-N 3.48Å
569A79.9Confident77.7Confident53 Ų5372.2 Ų72.244%0.43838%0.376SS..Hα-helixtrans-63.1-39.6176.700000112.7E565 Q566 K573E565-A569 PolarHBondContact O-N 2.98Å; Q566-A569 PolarHBondContact O-N 3.18Å; A569-K573 WeakPolarHBondContact O-CG 3.34Å; A569-K573 PolarHBondContact O-N 3.23Å
570Q83.5Confident79Confident55 Ų5569.3 Ų69.326%0.25736%0.359SS..Hα-helixtrans-65.8-42.3174.7-174.1-179.4-7.700111.7S337 L527 Q566 L567 S568 K573 L574S337-Q570 PolarHBondContact OG-NE2 3.19Å; L527-Q570 HydrophobicContact CD1-CG 4.28Å; L527-Q570 HydrophobicContact CD2-CB 4.43Å; L527-Q570 HydrophobicContact CD2-CG 4.17Å; Q566-Q570 PolarHBondContact O-N 3.27Å; Q566-Q570 VanDerWaalsContact O-N 3.14Å; L567-Q570 PolarHBondContact O-N 3.07Å; S568-Q570 PolarHBondContact O-N 3.07Å; Q570-K573 WeakPolarHBondContact O-CB 3.35Å; Q570-K573 PolarHBondContact O-N 2.93Å; Q570-L574 PolarHBondContact O-N 3.48Å; Q570-L574 VanDerWaalsContact O-N 3.13Å
571L86.5Confident80.1Confident0 Ų070.2 Ų70.20%038%0.376CS..Hα-helixtrans-63.7-43177.4-178.359.6000111.5L339 W525 L527 Y538 E540 L567 S568 K573 L574 R575L339-L571 HydrophobicContact CD1-CD1 3.61Å; W525-L571 HydrophobicContact CB-CD1 4.02Å; W525-L571 HydrophobicContact CB-CD2 4.18Å; W525-L571 HydrophobicContact CB-CG 4.36Å; W525-L571 WeakPolarHBondContact O-CD2 3.45Å; L527-L571 HydrophobicContact CB-CD1 4.4Å; Y538-L571 HydrophobicContact CD1-CD2 4.05Å; Y538-L571 HydrophobicContact CE1-CB 4.32Å; Y538-L571 HydrophobicContact CE1-CD2 3.72Å; E540-L571 HydrophobicContact CB-CD2 3.98Å; E540-L571 HydrophobicContact CG-CD2 3.74Å; L567-L571 WeakPolarHBondContact O-CB 3.46Å; L567-L571 PolarHBondContact O-N 2.99Å; S568-L571 PolarHBondContact O-N 3.37Å; L571-K573 VanDerWaalsContact C-N 3.27Å; L571-K573 PolarHBondContact O-N 3.41Å; L571-L574 PolarHBondContact O-N 3.41Å; L571-R575 HydrophobicContact CD1-CG 4.13Å; L571-R575 HydrophobicContact CG-CG 4.32Å; L571-R575 WeakPolarHBondContact O-CB 3.34Å; L571-R575 WeakPolarHBondContact O-CD 3.29Å; L571-R575 WeakPolarHBondContact O-CG 3.27Å; L571-R575 PolarHBondContact O-N 2.97Å
572D85.1Confident81.5Confident60 Ų6071 Ų7132%0.32137%0.374SS..Hα-helixtrans-63-32.6177.7-169.836.2000112.7S568 R576S568-D572 WeakPolarHBondContact O-CB 3.5Å; S568-D572 PolarHBondContact O-N 3.48Å; D572-R576 PolarHBondContact O-NE 3.46Å; D572-R576 VanDerWaalsContact O-NE 3.09Å; D572-R576 PolarHBondContact O-NH2 2.92Å; D572-R576 IonicContact OD1-CZ 2.91Å; D572-R576 VanDerWaalsContact OD1-CZ 3.29Å; D572-R576 IonicContact OD1-NE 3.92Å; D572-R576 IonicContact OD1-NH1 2.86Å; D572-R576 PolarHBondContact OD1-NH1 3.45Å; D572-R576 IonicContact OD1-NH2 2.81Å; D572-R576 IonicContact OD2-CZ 3.95Å; D572-R576 IonicContact OD2-NH1 3.01Å; D572-R576 PolarHBondContact OD2-NH1 2.8Å; D572-R576 IonicContact OD2-NH2 2.86Å; D572-R576 PolarHBondContact OD2-NH2 3.07Å
573K86.4Confident83.2Confident94 Ų9465.2 Ų65.241%0.40934%0.336SS..Hα-helixtrans-66.2-50.9171.8-79.9166.2167.6-1710112.2A569 Q570 L571 R575 R576 C577 Y586A569-K573 WeakPolarHBondContact O-CG 3.34Å; A569-K573 PolarHBondContact O-N 3.23Å; Q570-K573 WeakPolarHBondContact O-CB 3.35Å; Q570-K573 PolarHBondContact O-N 2.93Å; L571-K573 VanDerWaalsContact C-N 3.27Å; L571-K573 PolarHBondContact O-N 3.41Å; K573-R575 VanDerWaalsContact C-N 3.33Å; K573-R575 PolarHBondContact O-N 3.07Å; K573-R576 PolarHBondContact O-N 3.17Å; K573-C577 PolarHBondContact O-N 3.22Å; K573-Y586 HydrophobicContact CB-CD1 4.34Å; K573-Y586 HydrophobicContact CB-CD2 4.25Å; K573-Y586 HydrophobicContact CB-CE1 3.88Å; K573-Y586 HydrophobicContact CB-CE2 3.75Å; K573-Y586 HydrophobicContact CD-CD1 3.9Å; K573-Y586 HydrophobicContact CD-CE1 3.42Å; K573-Y586 VanDerWaalsContact CD-CE1 3.42Å; K573-Y586 HydrophobicContact CG-CE1 3.82Å; K573-Y586 HydrophobicContact CG-CE2 4.47Å
574L88.9Confident84.3Confident6 Ų661.4 Ų61.43%0.03132%0.316CS..Hα-helixtrans-64.4-35.9179.4-74.7174.7000112.8L339 L527 Q570 L571 R576 C577 Y586L339-L574 HydrophobicContact CB-CB 4.3Å; L339-L574 HydrophobicContact CB-CD1 4.42Å; L339-L574 HydrophobicContact CD1-CB 4.38Å; L339-L574 HydrophobicContact CD2-CB 4.37Å; L527-L574 HydrophobicContact CD1-CD1 3.38Å; Q570-L574 PolarHBondContact O-N 3.48Å; Q570-L574 VanDerWaalsContact O-N 3.13Å; L571-L574 PolarHBondContact O-N 3.41Å; L574-R576 PolarHBondContact O-N 3.36Å; L574-R576 VanDerWaalsContact O-N 3.12Å; L574-C577 PolarHBondContact O-N 2.82Å; L574-C577 PolarHBondContact O-SG 2.76Å; L574-Y586 HydrophobicContact CD2-CD2 4.17Å
575R89.3Confident84.6Confident25 Ų2559.3 Ų59.39%0.09431%0.312CS..THydrogen-bonded Turntrans-66.7-11.2178.7-71167.166.2-169.40.3114.3H46 L339 R345 W525 E540 L571 K573H46-R575 PolarHBondContact CD2-O 3.28Å; L339-R575 HydrophobicContact CD1-CG 3.94Å; R345-R575 PolarHBondContact NH1-O 2.93Å; R345-R575 PolarHBondContact NH2-O 3.04Å; W525-R575 HydrophobicContact CB-CG 4.04Å; W525-R575 VanDerWaalsContact CG-CD 3.49Å; W525-R575 HydrophobicContact CG-CG 3.84Å; W525-R575 VanDerWaalsContact CZ2-NH2 3.33Å; E540-R575 IonicContact OE2-NH1 2.92Å; E540-R575 PolarHBondContact OE2-NH1 2.56Å; L571-R575 HydrophobicContact CD1-CG 4.13Å; L571-R575 HydrophobicContact CG-CG 4.32Å; L571-R575 WeakPolarHBondContact O-CB 3.34Å; L571-R575 WeakPolarHBondContact O-CD 3.29Å; L571-R575 WeakPolarHBondContact O-CG 3.27Å; L571-R575 PolarHBondContact O-N 2.97Å; K573-R575 VanDerWaalsContact C-N 3.33Å; K573-R575 PolarHBondContact O-N 3.07Å
576R90.4Very high84.2Confident143 Ų14355.7 Ų55.754%0.5429%0.292SS..THydrogen-bonded Turntrans-119.81.9-179.7-65.3-177.5-63.7-144.5-0.7112.5D572 K573 L574D572-R576 PolarHBondContact O-NE 3.46Å; D572-R576 VanDerWaalsContact O-NE 3.09Å; D572-R576 PolarHBondContact O-NH2 2.92Å; D572-R576 IonicContact OD1-CZ 2.91Å; D572-R576 VanDerWaalsContact OD1-CZ 3.29Å; D572-R576 IonicContact OD1-NE 3.92Å; D572-R576 IonicContact OD1-NH1 2.86Å; D572-R576 PolarHBondContact OD1-NH1 3.45Å; D572-R576 IonicContact OD1-NH2 2.81Å; D572-R576 IonicContact OD2-CZ 3.95Å; D572-R576 IonicContact OD2-NH1 3.01Å; D572-R576 PolarHBondContact OD2-NH1 2.8Å; D572-R576 IonicContact OD2-NH2 2.86Å; D572-R576 PolarHBondContact OD2-NH2 3.07Å; K573-R576 PolarHBondContact O-N 3.17Å; L574-R576 PolarHBondContact O-N 3.36Å; L574-R576 VanDerWaalsContact O-N 3.12Å
577C92.5Very high83.3Confident2 Ų249.6 Ų49.61%0.01427%0.266CS..  trans-68.9147.7-177.478.60000110.4H46 N47 K573 L574 Q582 C583H46-C577 PolarHBondContact NE2-O 2.74Å; N47-C577 PolarHBondContact ND2-O 2.98Å; N47-C577 PolarHBondContact OD1-O 3.02Å; K573-C577 PolarHBondContact O-N 3.22Å; L574-C577 PolarHBondContact O-N 2.82Å; L574-C577 PolarHBondContact O-SG 2.76Å; C577-Q582 HydrophobicContact CB-CB 4.18Å; C577-C583 VanDerWaalsContact C-SG 3.6Å; C577-C583 HydrophobicContact CB-CB 3.86Å; C577-C583 WeakPolarHBondContact CB-SG 3.48Å; C577-C583 WeakPolarHBondContact SG-CA 3.01Å; C577-C583 WeakPolarHBondContact SG-CB 3.37Å; C577-C583 CovalentContact SG-SG 2.04Å; C577-C583 PolarHBondContact SG-SG 2.77Å
578K93.7Very high81.3Confident141 Ų14155.5 Ų55.561%0.61330%0.296SS*.  trans-141.6127.7173.3-172.8176-179.51780110.4Q582K578-Q582 WeakPolarHBondContact O-CB 3.49Å; K578-Q582 WeakPolarHBondContact O-CG 2.96Å; K578-Q582 PolarHBondContact O-OE1 3.18Å
579G92.9Very high79Confident5 Ų554.4 Ų54.45%0.05229%0.291CS..Hα-helixtrans73.5156.8-172.700000112.7A305 M307 D308 A581 Q582 C583A305-G579 WeakPolarHBondContact O-CA 3.46Å; M307-G579 CarbonylContact O-C 3.54Å; M307-G579 WeakPolarHBondContact O-CA 3.19Å; D308-G579 WeakPolarHBondContact OD1-CA 3.29Å; D308-G579 PolarHBondContact OD1-N 2.8Å; G579-A581 PolarHBondContact O-N 2.96Å; G579-Q582 PolarHBondContact O-N 2.86Å; G579-Q582 VanDerWaalsContact O-N 3.08Å; G579-C583 PolarHBondContact O-N 3.17Å
580G88Confident76.6Confident17 Ų1759.1 Ų59.118%0.17531%0.307CS..Hα-helixtrans-55.9-37.4-176.100000112.7M307 Q582 C583 E584M307-G580 PolarHBondContact O-N 3.33Å; G580-Q582 VanDerWaalsContact C-N 3.35Å; G580-Q582 PolarHBondContact O-N 3Å; G580-C583 PolarHBondContact O-N 2.67Å; G580-E584 WeakPolarHBondContact O-CA 3.33Å; G580-E584 WeakPolarHBondContact O-CB 3.31Å; G580-E584 WeakPolarHBondContact O-CG 3.4Å; G580-E584 PolarHBondContact O-N 3.31Å
581A86.2Confident74.1Confident89 Ų8962.4 Ų62.474%0.73633%0.327SS*.Hα-helixtrans-59.7-41.2178.500000113.1G579 A585G579-A581 PolarHBondContact O-N 2.96Å; A581-A585 WeakPolarHBondContact O-CA 3.18Å; A581-A585 WeakPolarHBondContact O-CB 3.41Å; A581-A585 PolarHBondContact O-N 3.2Å
582Q90.4Very high71.6Confident102 Ų10265.5 Ų65.548%0.47735%0.345SS..Hα-helixtrans-83.2-39.4179.5-62.8-174.51.400112.1C577 K578 G579 G580 E584 A585 Y586C577-Q582 HydrophobicContact CB-CB 4.18Å; K578-Q582 WeakPolarHBondContact O-CB 3.49Å; K578-Q582 WeakPolarHBondContact O-CG 2.96Å; K578-Q582 PolarHBondContact O-OE1 3.18Å; G579-Q582 PolarHBondContact O-N 2.86Å; G579-Q582 VanDerWaalsContact O-N 3.08Å; G580-Q582 VanDerWaalsContact C-N 3.35Å; G580-Q582 PolarHBondContact O-N 3Å; Q582-E584 VanDerWaalsContact C-N 3.29Å; Q582-E584 PolarHBondContact O-N 3.33Å; Q582-A585 PolarHBondContact O-N 3.24Å; Q582-Y586 WeakPolarHBondContact O-CD2 3.44Å; Q582-Y586 WeakPolarHBondContact O-CE2 3.44Å
583C90.7Very high68.9Low1 Ų167 Ų671%0.00737%0.366CS..Hα-helixtrans-68.8-31.9179.7-63.50000111.6Y44 D308 C577 G579 G580Y44-C583 HydrophobicContact CE2-CB 4.35Å; D308-C583 HydrophobicContact CB-CB 4.49Å; C577-C583 VanDerWaalsContact C-SG 3.6Å; C577-C583 HydrophobicContact CB-CB 3.86Å; C577-C583 WeakPolarHBondContact CB-SG 3.48Å; C577-C583 WeakPolarHBondContact SG-CA 3.01Å; C577-C583 WeakPolarHBondContact SG-CB 3.37Å; C577-C583 CovalentContact SG-SG 2.04Å; C577-C583 PolarHBondContact SG-SG 2.77Å; G579-C583 PolarHBondContact O-N 3.17Å; G580-C583 PolarHBondContact O-N 2.67Å
584E83.8Confident66.4Low21 Ų2171.6 Ų71.610%0.09838%0.381CS..SBendtrans-92.9-10.6174.6-58.3-59.893.100114.4R310 R335 G580 Q582 Y586 S587 I588R310-E584 HydrophobicContact CB-CG 4.25Å; R335-E584 VanDerWaalsContact CZ-CD 3.46Å; R335-E584 IonicContact CZ-OE1 3.36Å; R335-E584 IonicContact CZ-OE2 3.86Å; R335-E584 IonicContact NE-OE1 2.71Å; R335-E584 PolarHBondContact NE-OE1 3.49Å; R335-E584 IonicContact NE-OE2 2.68Å; R335-E584 PolarHBondContact NE-OE2 2.79Å; R335-E584 IonicContact NH1-OE1 2.99Å; R335-E584 IonicContact NH2-OE1 3.63Å; R335-E584 PolarHBondContact NH2-OE1 3.2Å; R335-E584 IonicContact NH2-OE2 3.16Å; R335-E584 PolarHBondContact NH2-OE2 3.27Å; G580-E584 WeakPolarHBondContact O-CA 3.33Å; G580-E584 WeakPolarHBondContact O-CB 3.31Å; G580-E584 WeakPolarHBondContact O-CG 3.4Å; G580-E584 PolarHBondContact O-N 3.31Å; Q582-E584 VanDerWaalsContact C-N 3.29Å; Q582-E584 PolarHBondContact O-N 3.33Å; E584-Y586 PolarHBondContact O-N 3.09Å; E584-S587 CarbonylContact O-C 3.53Å; E584-S587 VanDerWaalsContact O-CA 3.24Å; E584-S587 WeakPolarHBondContact O-CA 3.19Å; E584-S587 WeakPolarHBondContact O-CB 3.48Å; E584-S587 PolarHBondContact O-N 3.12Å; E584-I588 PolarHBondContact O-N 2.94Å
585A67.8Low63.8Low48 Ų4878.9 Ų78.940%0.39742%0.42SS..G310 helixtrans-56.7-27.2178.300000112.2A581 Q582 S587 I588A581-A585 WeakPolarHBondContact O-CA 3.18Å; A581-A585 WeakPolarHBondContact O-CB 3.41Å; A581-A585 PolarHBondContact O-N 3.2Å; Q582-A585 PolarHBondContact O-N 3.24Å; A585-S587 PolarHBondContact O-N 2.9Å; A585-I588 WeakPolarHBondContact O-CG1 3.37Å
586Y57.7Low61Low100 Ų10084.7 Ų84.739%0.39245%0.452SS..G310 helixtrans-84.58.6177.1-50.3-65.1000113K573 L574 Q582 E584K573-Y586 HydrophobicContact CB-CD1 4.34Å; K573-Y586 HydrophobicContact CB-CD2 4.25Å; K573-Y586 HydrophobicContact CB-CE1 3.88Å; K573-Y586 HydrophobicContact CB-CE2 3.75Å; K573-Y586 HydrophobicContact CD-CD1 3.9Å; K573-Y586 HydrophobicContact CD-CE1 3.42Å; K573-Y586 VanDerWaalsContact CD-CE1 3.42Å; K573-Y586 HydrophobicContact CG-CE1 3.82Å; K573-Y586 HydrophobicContact CG-CE2 4.47Å; L574-Y586 HydrophobicContact CD2-CD2 4.17Å; Q582-Y586 WeakPolarHBondContact O-CD2 3.44Å; Q582-Y586 WeakPolarHBondContact O-CE2 3.44Å; E584-Y586 PolarHBondContact O-N 3.09Å
587S51.3Low58.4Low21 Ų2180.2 Ų80.215%0.14745%0.45CS..G310 helixtrans-139.112.3-170.1-61.60000113.3R335 E584 A585 G589R335-S587 VanDerWaalsContact CA-CB 3.46Å; R335-S587 WeakPolarHBondContact CA-OG 3.27Å; R335-S587 VanDerWaalsContact CB-CB 3.49Å; R335-S587 WeakPolarHBondContact CB-OG 3.22Å; E584-S587 CarbonylContact O-C 3.53Å; E584-S587 VanDerWaalsContact O-CA 3.24Å; E584-S587 WeakPolarHBondContact O-CA 3.19Å; E584-S587 WeakPolarHBondContact O-CB 3.48Å; E584-S587 PolarHBondContact O-N 3.12Å; A585-S587 PolarHBondContact O-N 2.9Å; S587-G589 PolarHBondContact O-N 3.14Å
588I41.3Very low56Low140 Ų14089 Ų8972%0.71849%0.488SS*.  trans-22.4113.8-164.2-52.9175.8000116.2P333 E584 A585P333-I588 VanDerWaalsContact CB-C 3.45Å; P333-I588 WeakPolarHBondContact CB-O 3.36Å; E584-I588 PolarHBondContact O-N 2.94Å; A585-I588 WeakPolarHBondContact O-CG1 3.37Å
589G32.5Very low54Low19 Ų1986.2 Ų86.220%0.19648%0.484CS..  166.9167.8112.600000117.7R310 P333 S587R310-G589 VanDerWaalsContact CZ-O 3.3Å; R310-G589 PolarHBondContact NH1-O 2.98Å; R310-G589 PolarHBondContact NH2-O 3.26Å; P333-G589 WeakPolarHBondContact CG-O 3.24Å; S587-G589 PolarHBondContact O-N 3.14Å
590I30.1Very low52.3Low153 Ų15388 Ų8879%0.78549%0.491SS*.  trans-62.8145.1-149.1-67.3156000116.3
591D31Very low51.6Low123 Ų12390 Ų9066%0.65849%0.493SS*.  trans-65.9138.3174.1-70.3-35.9000113.2R310R310-D591 IonicContact CZ-OD1 3.56Å; R310-D591 IonicContact NE-OD1 3.23Å; R310-D591 PolarHBondContact NE-OD1 3.3Å; R310-D591 IonicContact NH2-OD1 3.29Å; R310-D591 PolarHBondContact NH2-OD1 3.18Å
592V33.9Very low50.6Low65 Ų6585.9 Ų85.939%0.39446%0.459SS..  trans-96.8109.4172.8-179.40000108M330M330-V592 HydrophobicContact CE-CG2 3.58Å
593A27.7Very low49.3Very low91 Ų9181.1 Ų81.175%0.75244%0.437SS*.  trans-65.6133.3164.700000109.9
594R34.8Very low48.1Very low191 Ų19181.3 Ų81.372%0.72144%0.437SS*.  trans-167.3119.5157.5-104.6148.6-167.71795114.8
595N33.4Very low46.9Very low159 Ų15980.3 Ų80.385%0.8543%0.433SS*.  trans38.398.3146.4-68.6-9.6000119.8
596L30.8Very low46.4Very low148 Ų14878.3 Ų78.378%0.77542%0.415SS*.  trans-42.6128.4153.4-70.6156.2000112.7G300G300-L596 WeakPolarHBondContact O-CD2 3.5Å
597G35.7Very low46.1Very low48 Ų4873.5 Ų73.550%0.49540%0.396SS..  trans-162.9106.5174.300000113.3F600G597-F600 WeakPolarHBondContact O-CE2 3.47Å; G597-F600 WeakPolarHBondContact O-CZ 3.3Å
598K42.6Very low45.2Very low186 Ų18672.8 Ų72.881%0.80939%0.392SS*.SBendtrans75.6143.7172.6-58.5-176.6-179-179.90116.9F600K598-F600 WeakPolarHBondContact O-CD2 3.44Å; K598-F600 WeakPolarHBondContact O-CE2 3.27Å; K598-F600 PolarHBondContact O-N 2.96Å
599P51.4Low45.4Very low83 Ų8369.4 Ų69.454%0.53938%0.375SS..  trans-66.8114.5176.526.6-32.6000110P159P159-P599 HydrophobicContact CB-CB 4.01Å; P159-P599 HydrophobicContact CG-CB 4.28Å
600F57.2Low46.1Very low44 Ų4472.1 Ų72.119%0.19339%0.385CS..  trans-94.1156.2175-69.3-77.7000111.4Y80 P159 Y232 P269 G597 K598Y80-F600 WeakPolarHBondContact CE1-O 3.34Å; Y80-F600 PolarHBondContact OH-O 3.41Å; P159-F600 WeakPolarHBondContact CB-O 3.41Å; Y232-F600 HydrophobicContact CD2-CB 3.91Å; Y232-F600 HydrophobicContact CD2-CD1 4.41Å; Y232-F600 HydrophobicContact CD2-CG 4.18Å; Y232-F600 HydrophobicContact CE2-CB 3.79Å; Y232-F600 AromaticContact CE2-CD1 3.81Å; Y232-F600 HydrophobicContact CE2-CD1 3.81Å; Y232-F600 AromaticContact CE2-CD2 3.94Å; Y232-F600 HydrophobicContact CE2-CD2 3.94Å; Y232-F600 HydrophobicContact CE2-CE1 4.4Å; Y232-F600 HydrophobicContact CE2-CE2 4.48Å; Y232-F600 AromaticContact CE2-CG 3.57Å; Y232-F600 HydrophobicContact CE2-CG 3.57Å; P269-F600 HydrophobicContact CB-CE1 4.37Å; P269-F600 HydrophobicContact CG-CD1 3.78Å; P269-F600 HydrophobicContact CG-CE1 3.44Å; P269-F600 VanDerWaalsContact CG-CE1 3.44Å; P269-F600 HydrophobicContact CG-CZ 4.45Å; G597-F600 WeakPolarHBondContact O-CE2 3.47Å; G597-F600 WeakPolarHBondContact O-CZ 3.3Å; K598-F600 WeakPolarHBondContact O-CD2 3.44Å; K598-F600 WeakPolarHBondContact O-CE2 3.27Å; K598-F600 PolarHBondContact O-N 2.96Å
601R72.9Confident47Very low59 Ų5967.6 Ų67.622%0.22336%0.363CS..EExtended strand (participates in β ladder)trans-96.5140170.6-59.3168.1178.8167.82.1108.1M152 V160 N230 T231 Y232M152-R601 PolarHBondContact SD-NH2 3.46Å; V160-R601 WeakPolarHBondContact O-CA 3.23Å; N230-R601 WeakPolarHBondContact O-CB 3.5Å; N230-R601 PolarHBondContact O-N 2.89Å; N230-R601 PolarHBondContact OD1-NH1 3.17Å; T231-R601 CarbonylContact C-O 3.51Å; T231-R601 WeakPolarHBondContact CA-O 3.18Å; T231-R601 HydrophobicContact CG2-CB 4.24Å; Y232-R601 PolarHBondContact N-O 2.57Å
602I65.3Low47.9Very low1 Ų164.3 Ų64.31%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-124.4120.2178.3-56.7176.5000108.2Y80 V160 L161 M162 Y232 I295 M298 A299Y80-I602 HydrophobicContact CE1-CD1 4.35Å; V160-I602 PolarHBondContact O-N 3.03Å; L161-I602 CarbonylContact C-O 3.56Å; L161-I602 VanDerWaalsContact CA-O 3.3Å; L161-I602 WeakPolarHBondContact CA-O 3.34Å; L161-I602 HydrophobicContact CD1-CB 3.95Å; L161-I602 HydrophobicContact CD1-CG2 3.88Å; M162-I602 PolarHBondContact N-O 2.93Å; Y232-I602 HydrophobicContact CD2-CG1 4.46Å; I295-I602 HydrophobicContact CG1-CG2 4.35Å; I295-I602 HydrophobicContact CG2-CD1 4.12Å; I295-I602 HydrophobicContact CG2-CG2 4.42Å; M298-I602 HydrophobicContact CB-CD1 3.96Å; A299-I602 HydrophobicContact CB-CD1 4.13Å
603V63.5Low48.8Very low3 Ų364.3 Ų64.32%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-115121.1172.6-174.70000108.4M162 L164 L225 L226 T231 Y232 F233 M234M162-V603 HydrophobicContact CE-CG2 3.75Å; L164-V603 HydrophobicContact CD1-CG1 4.4Å; L225-V603 HydrophobicContact CD2-CG2 4.4Å; L226-V603 HydrophobicContact CD2-CB 3.79Å; L226-V603 HydrophobicContact CD2-CG1 3.83Å; L226-V603 HydrophobicContact CD2-CG2 3.98Å; T231-V603 HydrophobicContact CG2-CG2 4.02Å; Y232-V603 PolarHBondContact O-N 2.86Å; F233-V603 VanDerWaalsContact CA-O 3.31Å; F233-V603 WeakPolarHBondContact CA-O 3.14Å; F233-V603 HydrophobicContact CD2-CB 4.19Å; F233-V603 HydrophobicContact CD2-CG1 4.18Å; F233-V603 WeakPolarHBondContact CD2-O 3.43Å; F233-V603 HydrophobicContact CE2-CG1 4.48Å; M234-V603 PolarHBondContact N-O 2.9Å
604F66.2Low50.2Low4 Ų462.5 Ų62.52%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-114123.7174.6175.9-110000108.8M39 M162 V163 L164 M234 T236 I291 E606M39-F604 HydrophobicContact SD-CE1 4.29Å; M39-F604 HydrophobicContact SD-CZ 3.86Å; M162-F604 PolarHBondContact O-N 3.32Å; V163-F604 CarbonylContact C-O 3.55Å; V163-F604 WeakPolarHBondContact CA-O 3.25Å; V163-F604 HydrophobicContact CG1-CD1 3.97Å; V163-F604 HydrophobicContact CG2-CB 4.37Å; V163-F604 HydrophobicContact CG2-CD1 4.23Å; L164-F604 PolarHBondContact N-O 2.03Å; M234-F604 HydrophobicContact CB-CD2 3.77Å; M234-F604 HydrophobicContact CB-CE2 4.43Å; M234-F604 HydrophobicContact CE-CD2 4.11Å; M234-F604 HydrophobicContact CE-CE2 4.21Å; T236-F604 HydrophobicContact CG2-CE2 3.49Å; T236-F604 VanDerWaalsContact CG2-CE2 3.49Å; T236-F604 HydrophobicContact CG2-CZ 3.49Å; T236-F604 VanDerWaalsContact CG2-CZ 3.49Å; I291-F604 HydrophobicContact CD1-CE2 3.83Å; I291-F604 HydrophobicContact CD1-CZ 3.81Å; I291-F604 HydrophobicContact CG1-CE2 4.35Å; I291-F604 HydrophobicContact CG2-CD2 4.14Å; I291-F604 HydrophobicContact CG2-CE2 3.79Å; I291-F604 HydrophobicContact CG2-CZ 4.04Å; F604-E606 HydrophobicContact CE1-CB 3.83Å; F604-E606 HydrophobicContact CE1-CG 4.41Å; F604-E606 HydrophobicContact CZ-CB 4.1Å; F604-E606 HydrophobicContact CZ-CG 4.4Å
605S57.3Low51.3Low0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-116128175-174.80000110.4L164 M234 Y235 T236L164-S605 CarbonylContact O-C 3.55Å; L164-S605 VanDerWaalsContact O-CA 3.32Å; L164-S605 WeakPolarHBondContact O-CA 3.39Å; L164-S605 PolarHBondContact O-OG 3.21Å; M234-S605 PolarHBondContact O-N 3.29Å; Y235-S605 WeakPolarHBondContact CA-O 3.48Å; T236-S605 PolarHBondContact N-O 3.31Å
606E56.8Low52.6Low6 Ų645.2 Ų45.23%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-122.2136.2179.6-166.1-158.5139.200109.3R36 M39 L164 S165 F166 T236 D238 F604R36-E606 IonicContact CZ-OE1 3.46Å; R36-E606 IonicContact CZ-OE2 2.87Å; R36-E606 IonicContact NE-OE1 3.06Å; R36-E606 PolarHBondContact NE-OE1 2.77Å; R36-E606 IonicContact NH1-OE1 2.59Å; R36-E606 PolarHBondContact NH1-OE1 3.48Å; R36-E606 IonicContact NH1-OE2 3.39Å; R36-E606 PolarHBondContact NH1-OE2 3.49Å; R36-E606 IonicContact NH2-OE1 3.85Å; R36-E606 PolarHBondContact NH2-OE1 3.45Å; M39-E606 HydrophobicContact CE-CG 4.01Å; M39-E606 WeakPolarHBondContact CE-OE1 2.99Å; M39-E606 HydrophobicContact SD-CG 4.07Å; L164-E606 PolarHBondContact O-N 3.49Å; S165-E606 CarbonylContact C-O 3.36Å; S165-E606 WeakPolarHBondContact CA-O 3.22Å; F166-E606 PolarHBondContact N-O 2.99Å; T236-E606 WeakPolarHBondContact O-CA 3.43Å; D238-E606 VanDerWaalsContact CB-OE1 3.23Å; D238-E606 WeakPolarHBondContact CB-OE1 2.94Å; F604-E606 HydrophobicContact CE1-CB 3.83Å; F604-E606 HydrophobicContact CE1-CG 4.41Å; F604-E606 HydrophobicContact CZ-CB 4.1Å; F604-E606 HydrophobicContact CZ-CG 4.4Å
607V52.9Low54.5Low0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-109.4139.7170.8-66.30000110.8M1 F166 A168 T214 Y235 T236 S237 D238M1-V607 HydrophobicContact CE-CG2 4.11Å; M1-V607 HydrophobicContact SD-CG2 4.39Å; F166-V607 HydrophobicContact CB-CG1 4.35Å; F166-V607 WeakPolarHBondContact O-CA 3.09Å; A168-V607 WeakPolarHBondContact O-CB 3.03Å; T214-V607 HydrophobicContact CG2-CG1 4.2Å; Y235-V607 HydrophobicContact CE2-CG1 3.93Å; Y235-V607 WeakPolarHBondContact OH-CG2 3.47Å; T236-V607 PolarHBondContact O-N 3.38Å; S237-V607 WeakPolarHBondContact CA-O 3.35Å; S237-V607 VanDerWaalsContact CB-O 3.31Å; S237-V607 WeakPolarHBondContact CB-O 3.5Å; S237-V607 PolarHBondContact OG-O 2.59Å; D238-V607 PolarHBondContact N-O 3.21Å
608G31.6Very low56.2Low5 Ų535.5 Ų35.55%0.05217%0.171CC..  trans-94.40-168.600000118.4F166 A168 P169 D238 H239F166-G608 PolarHBondContact O-N 3.36Å; A168-G608 PolarHBondContact O-N 3.03Å; P169-G608 WeakPolarHBondContact CD-O 3.4Å; D238-G608 WeakPolarHBondContact OD1-CA 3.46Å; H239-G608 PolarHBondContact CE1-OXT 2.96Å

Retrieved 608 of 608 residues in 1172 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).