A0A087XWR9_POEFO Loading...

Vacuolar protein sorting-associated protein 45

May play a role in vesicle-mediated protein trafficking from the Golgi stack through the trans-Golgi network.

AlphaFold DB , UniProt , Accession A0A087XWR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 582 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
1M90.6Very high96Very high53 Ų5336.7 Ų36.726%0.26118%0.18SC..  079.10-82.5-73-87.300107.9L183 K185 D515 I516 R543 V545M1-L183 HydrophobicContact CE-CD1 4.26Å; M1-L183 HydrophobicContact SD-CB 4.26Å; M1-L183 HydrophobicContact SD-CD1 3.62Å; M1-L183 HydrophobicContact SD-CG 4.38Å; M1-K185 HydrophobicContact SD-CG 4.29Å; M1-D515 WeakPolarHBondContact CG-OD1 3.41Å; M1-I516 WeakPolarHBondContact CE-O 3.43Å; M1-R543 HydrophobicContact CB-CB 3.98Å; M1-R543 HydrophobicContact CG-CB 4.12Å; M1-V545 HydrophobicContact CB-CG2 4.03Å; M1-V545 HydrophobicContact CE-CB 3.66Å; M1-V545 HydrophobicContact CE-CG2 3.46Å; M1-V545 VanDerWaalsContact CE-CG2 3.46Å; M1-V545 HydrophobicContact SD-CG2 4.16Å
2N96.8Very high96Very high54 Ų5435.2 Ų35.229%0.28918%0.175SC..  trans-137.3109.3176.5179.7-25.7000108T4 L5 A6 P134N2-T4 PolarHBondContact OD1-N 3.44Å; N2-T4 VanDerWaalsContact OD1-N 3.09Å; N2-L5 HydrophobicContact CB-CB 4.02Å; N2-L5 PolarHBondContact OD1-N 3.33Å; N2-A6 PolarHBondContact O-N 3.12Å; N2-P134 VanDerWaalsContact CA-O 3.3Å; N2-P134 WeakPolarHBondContact CA-O 3.28Å
3V97.5Very high96.1Very high0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-74.1-34.8-174.6-69.90000112.7A6 V7 F129 A131 N133 P134 F137 V179 L183 V545V3-A6 PolarHBondContact O-N 3.07Å; V3-V7 WeakPolarHBondContact O-CG2 3.33Å; V3-V7 PolarHBondContact O-N 3.32Å; V3-F129 HydrophobicContact CB-CE2 3.92Å; V3-F129 HydrophobicContact CG1-CE2 4.33Å; V3-A131 HydrophobicContact CB-CB 4.27Å; V3-A131 HydrophobicContact CG2-CB 4.12Å; V3-N133 WeakPolarHBondContact CG2-O 3.19Å; V3-P134 WeakPolarHBondContact CG2-O 3.27Å; V3-P134 PolarHBondContact N-O 3.47Å; V3-F137 HydrophobicContact CG1-CD1 4.33Å; V3-F137 HydrophobicContact CG2-CB 4.37Å; V3-V179 HydrophobicContact CG1-CG1 4.29Å; V3-L183 HydrophobicContact CG1-CD1 3.88Å; V3-L183 HydrophobicContact CG1-CD2 4.15Å; V3-L183 HydrophobicContact CG1-CG 4.37Å; V3-V545 HydrophobicContact CG1-CG1 3.69Å; V3-V545 HydrophobicContact CG1-CG2 4.4Å
4T96.2Very high96.1Very high4 Ų437.3 Ų37.33%0.02518%0.181CC..Hα-helixtrans-64.2-45.9177.1-51.20000110.5N2 A6 V7 K8 V38 N133 E281N2-T4 PolarHBondContact OD1-N 3.44Å; N2-T4 VanDerWaalsContact OD1-N 3.09Å; T4-A6 VanDerWaalsContact C-N 3.34Å; T4-A6 PolarHBondContact O-N 2.8Å; T4-V7 PolarHBondContact O-N 2.86Å; T4-K8 WeakPolarHBondContact O-CB 3.44Å; T4-K8 WeakPolarHBondContact O-CG 3.32Å; T4-K8 PolarHBondContact O-N 3.31Å; T4-V38 HydrophobicContact CG2-CG1 4.02Å; T4-N133 VanDerWaalsContact OG1-C 3.27Å; T4-N133 PolarHBondContact OG1-O 3.48Å; T4-E281 HydrophobicContact CG2-CG 4.01Å
5L96.7Very high96.1Very high86 Ų8635.1 Ų35.145%0.4517%0.171SC..Hα-helixtrans-62.7-41177.9-178.361.5000111.8N2 V7 K8 Q9N2-L5 HydrophobicContact CB-CB 4.02Å; N2-L5 PolarHBondContact OD1-N 3.33Å; L5-V7 PolarHBondContact O-N 2.94Å; L5-K8 PolarHBondContact O-N 2.73Å; L5-Q9 HydrophobicContact CD1-CG 4.22Å; L5-Q9 HydrophobicContact CG-CG 4.42Å; L5-Q9 WeakPolarHBondContact O-CB 3.5Å; L5-Q9 VanDerWaalsContact O-CG 3.29Å; L5-Q9 WeakPolarHBondContact O-CG 3.41Å; L5-Q9 PolarHBondContact O-N 3.39Å
6A96.9Very high96.1Very high8 Ų840.4 Ų40.47%0.06620%0.195CC..Hα-helixtrans-60.4-46.8179.100000111.9N2 V3 T4 Q9 Y10 A182 L183N2-A6 PolarHBondContact O-N 3.12Å; V3-A6 PolarHBondContact O-N 3.07Å; T4-A6 VanDerWaalsContact C-N 3.34Å; T4-A6 PolarHBondContact O-N 2.8Å; A6-Q9 PolarHBondContact O-N 3.45Å; A6-Y10 WeakPolarHBondContact O-CD2 3.12Å; A6-Y10 PolarHBondContact O-N 2.8Å; A6-Y10 VanDerWaalsContact O-N 3.16Å; A6-A182 HydrophobicContact CB-CB 4.11Å; A6-L183 HydrophobicContact CB-CD2 4.29Å
7V96.8Very high96.1Very high1 Ų140.5 Ų40.51%0.00620%0.197CC..Hα-helixtrans-67.4-41.4177.4-179.40000111.4V3 T4 L5 Q9 Y10 I11 I34 V38 F129 A131V3-V7 WeakPolarHBondContact O-CG2 3.33Å; V3-V7 PolarHBondContact O-N 3.32Å; T4-V7 PolarHBondContact O-N 2.86Å; L5-V7 PolarHBondContact O-N 2.94Å; V7-Q9 VanDerWaalsContact C-N 3.29Å; V7-Q9 PolarHBondContact O-N 2.76Å; V7-Y10 PolarHBondContact O-N 2.69Å; V7-I11 HydrophobicContact CG1-CD1 3.81Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; V7-I11 PolarHBondContact O-N 2.6Å; V7-I34 HydrophobicContact CG1-CG2 3.69Å; V7-V38 HydrophobicContact CB-CG1 4.24Å; V7-V38 HydrophobicContact CG1-CG1 4.17Å; V7-V38 HydrophobicContact CG1-CG2 3.93Å; V7-F129 HydrophobicContact CG2-CD2 4.33Å; V7-F129 HydrophobicContact CG2-CE1 4.34Å; V7-F129 HydrophobicContact CG2-CE2 3.5Å; V7-F129 VanDerWaalsContact CG2-CE2 3.5Å; V7-F129 HydrophobicContact CG2-CZ 3.52Å; V7-A131 HydrophobicContact CG2-CB 4.06Å
8K95.6Very high96Very high30 Ų3038.3 Ų38.313%0.1319%0.187CC..Hα-helixtrans-57.1-42.5174.9-80.3-172.7166.3-176.80112.1T4 L5 I11 S12 V38 Y39 E281T4-K8 WeakPolarHBondContact O-CB 3.44Å; T4-K8 WeakPolarHBondContact O-CG 3.32Å; T4-K8 PolarHBondContact O-N 3.31Å; L5-K8 PolarHBondContact O-N 2.73Å; K8-I11 PolarHBondContact O-N 2.99Å; K8-S12 WeakPolarHBondContact O-CB 3.44Å; K8-S12 PolarHBondContact O-N 3.13Å; K8-S12 PolarHBondContact O-OG 3.43Å; K8-V38 WeakPolarHBondContact CE-O 3.5Å; K8-V38 HydrophobicContact CG-CB 3.89Å; K8-V38 HydrophobicContact CG-CG2 4.39Å; K8-Y39 HydrophobicContact CB-CE2 4.3Å; K8-Y39 HydrophobicContact CG-CE2 4.12Å; K8-Y39 PolarHBondContact O-OH 2.86Å; K8-E281 IonicContact NZ-OE2 3.35Å; K8-E281 PolarHBondContact NZ-OE2 3.49Å
9Q96.2Very high95.9Very high118 Ų11837.6 Ų37.655%0.55119%0.19SC*.Hα-helixtrans-64.3-43.7178.5-76.5176.4-13.600111.9L5 A6 V7 S12 K13L5-Q9 HydrophobicContact CD1-CG 4.22Å; L5-Q9 HydrophobicContact CG-CG 4.42Å; L5-Q9 WeakPolarHBondContact O-CB 3.5Å; L5-Q9 VanDerWaalsContact O-CG 3.29Å; L5-Q9 WeakPolarHBondContact O-CG 3.41Å; L5-Q9 PolarHBondContact O-N 3.39Å; A6-Q9 PolarHBondContact O-N 3.45Å; V7-Q9 VanDerWaalsContact C-N 3.29Å; V7-Q9 PolarHBondContact O-N 2.76Å; Q9-S12 PolarHBondContact O-N 3.4Å; Q9-K13 WeakPolarHBondContact O-CB 3.36Å; Q9-K13 PolarHBondContact O-N 3.05Å
10Y97.1Very high95.8Very high47 Ų4740.8 Ų40.818%0.18421%0.213CC..Hα-helixtrans-58.5-52.4174.5-77.4-50.7000111.6A6 V7 S12 K13 M14 F125 A182A6-Y10 WeakPolarHBondContact O-CD2 3.12Å; A6-Y10 PolarHBondContact O-N 2.8Å; A6-Y10 VanDerWaalsContact O-N 3.16Å; V7-Y10 PolarHBondContact O-N 2.69Å; Y10-S12 PolarHBondContact O-N 2.74Å; Y10-K13 WeakPolarHBondContact O-CB 3.46Å; Y10-K13 PolarHBondContact O-N 2.69Å; Y10-K13 VanDerWaalsContact O-N 3.13Å; Y10-M14 WeakPolarHBondContact O-CG 3.04Å; Y10-M14 PolarHBondContact O-N 3Å; Y10-F125 HydrophobicContact CD1-CB 3.72Å; Y10-F125 AromaticContact CD1-CD1 3.87Å; Y10-F125 HydrophobicContact CD1-CD1 3.87Å; Y10-F125 AromaticContact CD1-CD2 3.7Å; Y10-F125 HydrophobicContact CD1-CD2 3.7Å; Y10-F125 HydrophobicContact CD1-CE1 4.44Å; Y10-F125 HydrophobicContact CD1-CE2 4.32Å; Y10-F125 AromaticContact CD1-CG 3.49Å; Y10-F125 HydrophobicContact CD1-CG 3.49Å; Y10-F125 VanDerWaalsContact CD1-CG 3.49Å; Y10-F125 HydrophobicContact CE1-CB 4.23Å; Y10-F125 HydrophobicContact CE1-CD1 4.15Å; Y10-F125 HydrophobicContact CE1-CG 4.13Å; Y10-F125 HydrophobicContact CG-CB 4.01Å; Y10-F125 HydrophobicContact CG-CD2 4.14Å; Y10-F125 HydrophobicContact CG-CG 4.13Å; Y10-F125 WeakPolarHBondContact O-CD2 3.38Å; Y10-F125 WeakPolarHBondContact O-CE2 3.45Å; Y10-A182 HydrophobicContact CE2-CB 3.8Å
11I96.1Very high95.7Very high3 Ų340.2 Ų40.22%0.01522%0.217CC..Hα-helixtrans-63.7-42.4-177.9-63.8161.9000111.4V7 K8 K13 M14 I15 V35 V38 Y39V7-I11 HydrophobicContact CG1-CD1 3.81Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; V7-I11 PolarHBondContact O-N 2.6Å; K8-I11 PolarHBondContact O-N 2.99Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 3.26Å; I11-M14 WeakPolarHBondContact O-CB 3.5Å; I11-M14 PolarHBondContact O-N 3.39Å; I11-I15 HydrophobicContact CG2-CD1 4Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.15Å; I11-I15 VanDerWaalsContact O-N 3.16Å; I11-V35 HydrophobicContact CD1-CB 4.24Å; I11-V35 HydrophobicContact CD1-CG1 4.3Å; I11-V35 HydrophobicContact CD1-CG2 3.8Å; I11-V35 HydrophobicContact CG1-CG2 4.24Å; I11-V38 HydrophobicContact CD1-CG2 3.47Å; I11-V38 VanDerWaalsContact CD1-CG2 3.47Å; I11-Y39 HydrophobicContact CB-CD2 4.16Å; I11-Y39 HydrophobicContact CB-CE2 3.79Å; I11-Y39 HydrophobicContact CD1-CD2 3.96Å; I11-Y39 HydrophobicContact CD1-CE2 4.24Å; I11-Y39 HydrophobicContact CG2-CD2 3.75Å; I11-Y39 HydrophobicContact CG2-CE2 3.67Å
12S95.8Very high96Very high18 Ų1842 Ų4213%0.12623%0.226CC..Hα-helixtrans-58.7-42.7174.5-80.10000111.6K8 Q9 Y10 M14 I15 E16 Y39 K47K8-S12 WeakPolarHBondContact O-CB 3.44Å; K8-S12 PolarHBondContact O-N 3.13Å; K8-S12 PolarHBondContact O-OG 3.43Å; Q9-S12 PolarHBondContact O-N 3.4Å; Y10-S12 PolarHBondContact O-N 2.74Å; S12-M14 PolarHBondContact O-N 3.32Å; S12-I15 PolarHBondContact O-N 2.94Å; S12-E16 WeakPolarHBondContact O-CB 3.13Å; S12-E16 VanDerWaalsContact O-CG 3.29Å; S12-E16 WeakPolarHBondContact O-CG 3.42Å; S12-E16 PolarHBondContact O-N 3.18Å; S12-Y39 PolarHBondContact OG-OH 2.82Å; S12-K47 PolarHBondContact OG-NZ 3.26Å
13K96.8Very high96Very high98 Ų9839.8 Ų39.843%0.42621%0.214SC..Hα-helixtrans-64.2-38.8178.7-170.658.1172.8153.40112.4Q9 Y10 I11 I15 E16 N17 F125Q9-K13 WeakPolarHBondContact O-CB 3.36Å; Q9-K13 PolarHBondContact O-N 3.05Å; Y10-K13 WeakPolarHBondContact O-CB 3.46Å; Y10-K13 PolarHBondContact O-N 2.69Å; Y10-K13 VanDerWaalsContact O-N 3.13Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 3.26Å; K13-I15 VanDerWaalsContact C-N 3.3Å; K13-I15 PolarHBondContact O-N 3.41Å; K13-E16 PolarHBondContact O-N 2.88Å; K13-N17 WeakPolarHBondContact CD-OD1 3.5Å; K13-N17 WeakPolarHBondContact CE-OD1 3.48Å; K13-N17 PolarHBondContact NZ-OD1 2.89Å; K13-N17 WeakPolarHBondContact O-CB 3.44Å; K13-N17 PolarHBondContact O-N 2.78Å; K13-N17 PolarHBondContact O-OD1 2.97Å; K13-F125 HydrophobicContact CB-CE2 3.93Å; K13-F125 HydrophobicContact CB-CZ 4.09Å; K13-F125 HydrophobicContact CG-CE2 4.14Å; K13-F125 HydrophobicContact CG-CZ 3.78Å
14M96.4Very high96Very high2 Ų239.8 Ų39.81%0.0121%0.214CC..Hα-helixtrans-58.8-44.4174.8-61177.2-162.600111.1Y10 I11 S12 S18 I69 F71 Y97 F125Y10-M14 WeakPolarHBondContact O-CG 3.04Å; Y10-M14 PolarHBondContact O-N 3Å; I11-M14 WeakPolarHBondContact O-CB 3.5Å; I11-M14 PolarHBondContact O-N 3.39Å; S12-M14 PolarHBondContact O-N 3.32Å; M14-S18 PolarHBondContact O-N 3.27Å; M14-I69 HydrophobicContact CB-CG2 4.05Å; M14-F71 HydrophobicContact CE-CB 4.36Å; M14-F71 HydrophobicContact CE-CD1 4.16Å; M14-F71 HydrophobicContact CE-CD2 3.33Å; M14-F71 HydrophobicContact CE-CE1 4.31Å; M14-F71 HydrophobicContact CE-CE2 3.5Å; M14-F71 HydrophobicContact CE-CG 3.69Å; M14-F71 HydrophobicContact CE-CZ 4.01Å; M14-F71 HydrophobicContact SD-CB 3.95Å; M14-F71 HydrophobicContact SD-CD2 4.03Å; M14-F71 HydrophobicContact SD-CG 3.93Å; M14-Y97 HydrophobicContact CB-CD2 3.97Å; M14-Y97 HydrophobicContact CB-CE1 4.3Å; M14-Y97 HydrophobicContact CB-CE2 3.73Å; M14-Y97 HydrophobicContact CB-CG 4.35Å; M14-Y97 HydrophobicContact CE-CG 4.49Å; M14-Y97 HydrophobicContact CG-CD1 3.75Å; M14-Y97 HydrophobicContact CG-CD2 3.76Å; M14-Y97 HydrophobicContact CG-CE1 3.95Å; M14-Y97 HydrophobicContact CG-CE2 3.96Å; M14-Y97 HydrophobicContact CG-CG 3.66Å; M14-Y97 PolarHBondContact O-OH 2.97Å; M14-Y97 HydrophobicContact SD-CD2 4.07Å; M14-Y97 HydrophobicContact SD-CG 3.95Å; M14-F125 HydrophobicContact CB-CE2 4.31Å; M14-F125 HydrophobicContact CE-CB 3.85Å; M14-F125 HydrophobicContact CE-CD2 3.42Å; M14-F125 VanDerWaalsContact CE-CD2 3.42Å; M14-F125 HydrophobicContact CE-CE2 4.38Å; M14-F125 HydrophobicContact CE-CG 4.09Å; M14-F125 HydrophobicContact CG-CD2 3.4Å; M14-F125 HydrophobicContact CG-CE2 3.36Å; M14-F125 HydrophobicContact SD-CD2 4.24Å
15I96.4Very high96.1Very high5 Ų539.8 Ų39.83%0.02621%0.214CC..Hα-helixtrans-71.4-41-177.8-59.9165.2000111I11 S12 K13 S18 K23 K47 V49 I69I11-I15 HydrophobicContact CG2-CD1 4Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.15Å; I11-I15 VanDerWaalsContact O-N 3.16Å; S12-I15 PolarHBondContact O-N 2.94Å; K13-I15 VanDerWaalsContact C-N 3.3Å; K13-I15 PolarHBondContact O-N 3.41Å; I15-S18 PolarHBondContact O-N 2.73Å; I15-S18 PolarHBondContact O-OG 3.43Å; I15-K23 HydrophobicContact CG2-CD 4.24Å; I15-K47 HydrophobicContact CD1-CB 4.41Å; I15-K47 HydrophobicContact CD1-CD 3.96Å; I15-K47 HydrophobicContact CG2-CB 3.77Å; I15-K47 WeakPolarHBondContact CG2-O 3.32Å; I15-V49 HydrophobicContact CD1-CG2 4.25Å; I15-V49 HydrophobicContact CG1-CG2 4.11Å; I15-V49 HydrophobicContact CG2-CG2 4.03Å; I15-I69 HydrophobicContact CB-CD1 4.36Å; I15-I69 HydrophobicContact CG1-CD1 4.03Å
16E95.8Very high96.2Very high120 Ų12035.7 Ų35.756%0.56119%0.192SC*.Hα-helixtrans-64.3-45.3177.5-74.7166.9-162.200112.2S12 K13 S18 G19S12-E16 WeakPolarHBondContact O-CB 3.13Å; S12-E16 VanDerWaalsContact O-CG 3.29Å; S12-E16 WeakPolarHBondContact O-CG 3.42Å; S12-E16 PolarHBondContact O-N 3.18Å; K13-E16 PolarHBondContact O-N 2.88Å; E16-S18 PolarHBondContact O-N 3.39Å; E16-G19 PolarHBondContact O-N 3.35Å
17N95.4Very high96.2Very high42 Ų4235.7 Ų35.723%0.22519%0.191CC..Hα-helixtrans-62.5-28.4179.2-74.72.7000112.7K13 G19 Y97K13-N17 WeakPolarHBondContact CD-OD1 3.5Å; K13-N17 WeakPolarHBondContact CE-OD1 3.48Å; K13-N17 PolarHBondContact NZ-OD1 2.89Å; K13-N17 WeakPolarHBondContact O-CB 3.44Å; K13-N17 PolarHBondContact O-N 2.78Å; K13-N17 PolarHBondContact O-OD1 2.97Å; N17-G19 PolarHBondContact O-N 2.96Å; N17-Y97 VanDerWaalsContact CB-OH 3.31Å; N17-Y97 WeakPolarHBondContact CB-OH 3.48Å
18S95.1Very high96.3Very high1 Ų136 Ų361%0.00719%0.193CC..THydrogen-bonded Turntrans-70.5-6.4176.375.40000114.5M14 I15 E16 K23 K67M14-S18 PolarHBondContact O-N 3.27Å; I15-S18 PolarHBondContact O-N 2.73Å; I15-S18 PolarHBondContact O-OG 3.43Å; E16-S18 PolarHBondContact O-N 3.39Å; S18-K23 WeakPolarHBondContact OG-CE 3.31Å; S18-K67 WeakPolarHBondContact O-CD 3.32Å; S18-K67 PolarHBondContact O-NZ 3.3Å
19G94.4Very high96.3Very high25 Ų2542 Ų4226%0.25822%0.219SC..  trans68-175.4-178.900000113.3E16 N17 K23E16-G19 PolarHBondContact O-N 3.35Å; N17-G19 PolarHBondContact O-N 2.96Å; G19-K23 WeakPolarHBondContact O-CE 3.33Å; G19-K23 PolarHBondContact O-NZ 3.25Å
20P93.9Very high96.2Very high100 Ų10039.3 Ų39.365%0.64921%0.206SC*.SBendtrans-70.9162.3-179.829-35000112.9E48 K67P20-E48 VanDerWaalsContact CA-OE2 3.31Å; P20-E48 WeakPolarHBondContact CA-OE2 3.4Å; P20-K67 PolarHBondContact O-NZ 2.9Å
21G93.8Very high96.3Very high29 Ų2937.1 Ų37.130%0.29920%0.198SC..SBendtrans111.7175.7174.100000114.7K23 E48G21-K23 WeakPolarHBondContact O-CE 3.45Å; G21-K23 WeakPolarHBondContact O-CG 3.45Å; G21-K23 PolarHBondContact O-N 2.97Å; G21-E48 VanDerWaalsContact N-CD 3.32Å; G21-E48 PolarHBondContact N-OE1 3.45Å; G21-E48 PolarHBondContact N-OE2 3.16Å; G21-E48 VanDerWaalsContact N-OE2 3.12Å; G21-E48 VanDerWaalsContact O-CB 3.25Å; G21-E48 WeakPolarHBondContact O-CB 3.29Å
22M96.5Very high96.3Very high92 Ų9239.1 Ų39.145%0.45321%0.21SC..  trans-70.3123.9-174.7-63.1-177.5-78.400111.9Y50 L66 K67M22-Y50 HydrophobicContact CB-CD2 4.12Å; M22-Y50 HydrophobicContact CB-CE2 4.36Å; M22-Y50 HydrophobicContact CG-CD2 4.04Å; M22-Y50 HydrophobicContact CG-CE2 3.94Å; M22-L66 HydrophobicContact CB-CD2 3.35Å; M22-L66 HydrophobicContact CG-CD2 4.43Å; M22-L66 WeakPolarHBondContact O-CA 3.3Å; M22-L66 HydrophobicContact SD-CD2 4.38Å; M22-K67 PolarHBondContact O-N 3.36Å
23K97.7Very high96.3Very high6 Ų639.3 Ų39.33%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-119.6151.7-176.8-58.3141.7-165166.90112.1I15 S18 G19 G21 K47 E48 V49 Y50 K67 I69I15-K23 HydrophobicContact CG2-CD 4.24Å; S18-K23 WeakPolarHBondContact OG-CE 3.31Å; G19-K23 WeakPolarHBondContact O-CE 3.33Å; G19-K23 PolarHBondContact O-NZ 3.25Å; G21-K23 WeakPolarHBondContact O-CE 3.45Å; G21-K23 WeakPolarHBondContact O-CG 3.45Å; G21-K23 PolarHBondContact O-N 2.97Å; K23-K47 PolarHBondContact NZ-O 3.43Å; K23-E48 HydrophobicContact CD-CB 4.39Å; K23-E48 PolarHBondContact N-O 3.44Å; K23-E48 IonicContact NZ-OE2 3.07Å; K23-E48 PolarHBondContact NZ-OE2 3.25Å; K23-V49 HydrophobicContact CB-CB 4.39Å; K23-V49 HydrophobicContact CB-CG2 3.85Å; K23-V49 HydrophobicContact CD-CG2 3.87Å; K23-Y50 PolarHBondContact O-N 3.4Å; K23-K67 CarbonylContact C-O 3.53Å; K23-K67 VanDerWaalsContact CA-O 3.25Å; K23-K67 WeakPolarHBondContact CA-O 3.36Å; K23-K67 HydrophobicContact CG-CB 4.26Å; K23-I69 HydrophobicContact CB-CD1 4.31Å; K23-I69 HydrophobicContact CD-CD1 4.2Å; K23-I69 HydrophobicContact CG-CD1 4.34Å
24V97.4Very high96.3Very high0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-114133.2164.458.20000109.1L51 E53 L66 K67 A68 I69 Y91V24-L51 WeakPolarHBondContact CA-O 3.37Å; V24-L51 HydrophobicContact CB-CB 4.04Å; V24-L51 HydrophobicContact CG2-CB 3.76Å; V24-E53 HydrophobicContact CG2-CB 4.12Å; V24-E53 HydrophobicContact CG2-CG 4.02Å; V24-L66 HydrophobicContact CB-CD1 4.39Å; V24-L66 HydrophobicContact CG1-CB 4.47Å; V24-K67 WeakPolarHBondContact CG1-O 3.22Å; V24-K67 PolarHBondContact N-O 3.37Å; V24-A68 HydrophobicContact CG1-CB 3.95Å; V24-I69 PolarHBondContact O-N 3.47Å; V24-Y91 HydrophobicContact CB-CE1 4.46Å; V24-Y91 HydrophobicContact CG1-CD1 3.76Å; V24-Y91 HydrophobicContact CG1-CD2 4.03Å; V24-Y91 HydrophobicContact CG1-CE1 3.67Å; V24-Y91 HydrophobicContact CG1-CE2 3.93Å; V24-Y91 HydrophobicContact CG1-CG 3.94Å
25L97.8Very high96.2Very high4 Ų434.9 Ų34.92%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-96.2111.6172.3-17563.6000108.9M27 V35 V49 L51 F52 E53 I69L25-M27 HydrophobicContact CD1-CG 4.46Å; L25-M27 HydrophobicContact CD2-CE 3.88Å; L25-M27 HydrophobicContact CD2-CG 4.4Å; L25-M27 HydrophobicContact CD2-SD 3.65Å; L25-M27 HydrophobicContact CG-CE 4.03Å; L25-M27 HydrophobicContact CG-CG 3.94Å; L25-M27 HydrophobicContact CG-SD 3.85Å; L25-V35 HydrophobicContact CD2-CG1 4.05Å; L25-V35 HydrophobicContact CD2-CG2 4.5Å; L25-V49 HydrophobicContact CB-CG1 3.71Å; L25-L51 PolarHBondContact N-O 2.88Å; L25-F52 HydrophobicContact CB-CD1 4.2Å; L25-F52 HydrophobicContact CD2-CD1 4.14Å; L25-F52 HydrophobicContact CD2-CE1 4.18Å; L25-E53 PolarHBondContact O-N 2.85Å; L25-I69 HydrophobicContact CD1-CB 3.95Å; L25-I69 HydrophobicContact CD1-CG2 3.73Å
26L97.9Very high96.1Very high0 Ų036.7 Ų36.70%021%0.206CC..EExtended strand (participates in β ladder)trans-103115.8-176.8-167.661.3000109.6E53 I55 I69 C70 F71 Y91L26-E53 WeakPolarHBondContact CA-O 3.31Å; L26-E53 HydrophobicContact CD1-CB 3.62Å; L26-I55 HydrophobicContact CD1-CB 4.45Å; L26-I55 HydrophobicContact CD1-CD1 4.47Å; L26-I55 HydrophobicContact CD2-CD1 3.39Å; L26-I55 HydrophobicContact CG-CB 4.21Å; L26-I55 HydrophobicContact CG-CD1 3.89Å; L26-I69 PolarHBondContact N-O 2.96Å; L26-C70 CarbonylContact O-C 3.37Å; L26-C70 VanDerWaalsContact O-CA 3.31Å; L26-C70 WeakPolarHBondContact O-CA 3.37Å; L26-F71 PolarHBondContact O-N 3.39Å; L26-Y91 HydrophobicContact CD2-CE2 4.26Å
27M98.1Very high96Very high8 Ų831.2 Ų31.24%0.03918%0.181CC..EExtended strand (participates in β ladder)trans-128168.3-170-69.2176.9-65.500112.2L25 T31 T32 V35 F52 E53 R54 I55L25-M27 HydrophobicContact CD1-CG 4.46Å; L25-M27 HydrophobicContact CD2-CE 3.88Å; L25-M27 HydrophobicContact CD2-CG 4.4Å; L25-M27 HydrophobicContact CD2-SD 3.65Å; L25-M27 HydrophobicContact CG-CE 4.03Å; L25-M27 HydrophobicContact CG-CG 3.94Å; L25-M27 HydrophobicContact CG-SD 3.85Å; M27-T31 WeakPolarHBondContact CB-OG1 3.34Å; M27-T32 WeakPolarHBondContact CB-OG1 2.84Å; M27-T32 HydrophobicContact CE-CG2 4.38Å; M27-V35 HydrophobicContact SD-CB 3.91Å; M27-V35 HydrophobicContact SD-CG1 4.39Å; M27-V35 HydrophobicContact SD-CG2 3.64Å; M27-F52 HydrophobicContact CE-CD1 4.18Å; M27-E53 PolarHBondContact N-O 3.21Å; M27-R54 CarbonylContact O-C 3.48Å; M27-R54 VanDerWaalsContact O-CA 3.22Å; M27-R54 WeakPolarHBondContact O-CA 3.33Å; M27-I55 PolarHBondContact O-N 2.84Å
28D97.4Very high95.8Very high7 Ų729.2 Ų29.24%0.03717%0.17CC..  trans-100.7-175.8164.56849.6000110.2E30 T31 T32 I55 L72 R73 N78D28-E30 PolarHBondContact O-N 3Å; D28-E30 WeakPolarHBondContact OD1-CA 3.32Å; D28-E30 WeakPolarHBondContact OD1-CB 3.5Å; D28-E30 PolarHBondContact OD1-N 2.77Å; D28-T31 PolarHBondContact N-OG1 3.37Å; D28-T31 PolarHBondContact OD1-N 3.17Å; D28-T31 PolarHBondContact OD1-OG1 3.35Å; D28-T32 VanDerWaalsContact O-CB 3.22Å; D28-T32 WeakPolarHBondContact O-CB 3.4Å; D28-T32 PolarHBondContact O-N 2.79Å; D28-T32 PolarHBondContact O-OG1 2.85Å; D28-I55 HydrophobicContact CB-CG2 4.37Å; D28-L72 HydrophobicContact CB-CD2 4.03Å; D28-L72 WeakPolarHBondContact OD2-CA 3.49Å; D28-R73 PolarHBondContact OD2-N 2.95Å; D28-N78 WeakPolarHBondContact CB-OD1 3.38Å; D28-N78 PolarHBondContact OD2-ND2 3.12Å
29K95.4Very high95.7Very high156 Ų15630.4 Ų30.468%0.67817%0.174SC*.Hα-helixtrans-61.6-41.1-179.5-173.4-178.4175.2-174.60113.4S33K29-S33 PolarHBondContact O-OG 3.49Å
30E95.9Very high95.5Very high63 Ų6331.3 Ų31.329%0.29418%0.175SC..Hα-helixtrans-76.4-48-178.3-71.3-170.7-124.400110.8D28 T32 S33 I34 R73 R171D28-E30 PolarHBondContact O-N 3Å; D28-E30 WeakPolarHBondContact OD1-CA 3.32Å; D28-E30 WeakPolarHBondContact OD1-CB 3.5Å; D28-E30 PolarHBondContact OD1-N 2.77Å; E30-T32 VanDerWaalsContact C-N 3.31Å; E30-T32 PolarHBondContact O-N 2.98Å; E30-S33 WeakPolarHBondContact O-CA 3.5Å; E30-S33 VanDerWaalsContact O-CB 3.29Å; E30-S33 WeakPolarHBondContact O-CB 3.43Å; E30-S33 PolarHBondContact O-N 3.34Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 3.19Å; E30-R73 HydrophobicContact CB-CG 4.17Å; E30-R73 WeakPolarHBondContact OE1-CD 3.4Å; E30-R73 IonicContact OE1-CZ 2.64Å; E30-R73 IonicContact OE1-NE 2.69Å; E30-R73 IonicContact OE1-NH1 3.22Å; E30-R73 PolarHBondContact OE1-NH1 3.16Å; E30-R73 WeakPolarHBondContact OE2-CD 3.37Å; E30-R73 IonicContact OE2-CZ 2.67Å; E30-R73 IonicContact OE2-NE 2.83Å; E30-R73 PolarHBondContact OE2-NE 3.46Å; E30-R73 IonicContact OE2-NH1 2.97Å; E30-R73 PolarHBondContact OE2-NH1 3.25Å; E30-R171 IonicContact OE2-CZ 2.97Å; E30-R171 IonicContact OE2-NE 3.92Å; E30-R171 PolarHBondContact OE2-NE 3.14Å; E30-R171 IonicContact OE2-NH2 3.61Å; E30-R171 PolarHBondContact OE2-NH2 3.33Å
31T97.6Very high95.3Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-66.8-31.1179.758.90000112.9M27 D28 S33 I34 V35 F71 R73M27-T31 WeakPolarHBondContact CB-OG1 3.34Å; D28-T31 PolarHBondContact N-OG1 3.37Å; D28-T31 PolarHBondContact OD1-N 3.17Å; D28-T31 PolarHBondContact OD1-OG1 3.35Å; T31-S33 VanDerWaalsContact C-N 3.27Å; T31-S33 PolarHBondContact O-N 2.85Å; T31-I34 HydrophobicContact CG2-CD1 4.24Å; T31-I34 PolarHBondContact O-N 3.06Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 3.47Å; T31-F71 VanDerWaalsContact CB-O 3.24Å; T31-F71 WeakPolarHBondContact CB-O 3.18Å; T31-F71 HydrophobicContact CG2-CD1 3.9Å; T31-F71 HydrophobicContact CG2-CD2 4.39Å; T31-F71 HydrophobicContact CG2-CE1 3.8Å; T31-F71 HydrophobicContact CG2-CE2 4.31Å; T31-F71 HydrophobicContact CG2-CG 4.19Å; T31-F71 HydrophobicContact CG2-CZ 4.02Å; T31-F71 WeakPolarHBondContact CG2-O 3.22Å; T31-F71 PolarHBondContact OG1-O 2.84Å; T31-R73 HydrophobicContact CG2-CG 4.03Å
32T96.6Very high95.1Very high46 Ų4635.6 Ų35.628%0.28219%0.187SC..Hα-helixtrans-56.6-43.8168-60.80000111M27 D28 E30 S36M27-T32 WeakPolarHBondContact CB-OG1 2.84Å; M27-T32 HydrophobicContact CE-CG2 4.38Å; D28-T32 VanDerWaalsContact O-CB 3.22Å; D28-T32 WeakPolarHBondContact O-CB 3.4Å; D28-T32 PolarHBondContact O-N 2.79Å; D28-T32 PolarHBondContact O-OG1 2.85Å; E30-T32 VanDerWaalsContact C-N 3.31Å; E30-T32 PolarHBondContact O-N 2.98Å; T32-S36 VanDerWaalsContact O-CB 3.23Å; T32-S36 WeakPolarHBondContact O-CB 3.39Å; T32-S36 PolarHBondContact O-N 2.67Å; T32-S36 PolarHBondContact O-OG 2.86Å
33S95.6Very high94.8Very high22 Ų2233.5 Ų33.515%0.15418%0.177CC..Hα-helixtrans-65.2-43.1178.7-59.80000111K29 E30 T31 S36 V37 N258K29-S33 PolarHBondContact O-OG 3.49Å; E30-S33 WeakPolarHBondContact O-CA 3.5Å; E30-S33 VanDerWaalsContact O-CB 3.29Å; E30-S33 WeakPolarHBondContact O-CB 3.43Å; E30-S33 PolarHBondContact O-N 3.34Å; T31-S33 VanDerWaalsContact C-N 3.27Å; T31-S33 PolarHBondContact O-N 2.85Å; S33-S36 PolarHBondContact O-N 3.01Å; S33-S36 PolarHBondContact O-OG 3.29Å; S33-V37 WeakPolarHBondContact O-CG2 3.42Å; S33-V37 PolarHBondContact O-N 2.99Å; S33-N258 WeakPolarHBondContact CB-ND2 3.37Å; S33-N258 PolarHBondContact OG-ND2 3.02Å
34I96.6Very high94.6Very high2 Ų233.3 Ų33.31%0.0118%0.176CC..Hα-helixtrans-57.9-51.4178.6-64159.9000110.9V7 E30 T31 F71 G127 I130V7-I34 HydrophobicContact CG1-CG2 3.69Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 3.19Å; T31-I34 HydrophobicContact CG2-CD1 4.24Å; T31-I34 PolarHBondContact O-N 3.06Å; I34-F71 HydrophobicContact CB-CE1 4.46Å; I34-F71 HydrophobicContact CG2-CE1 4.21Å; I34-G127 WeakPolarHBondContact CD1-O 3.4Å; I34-I130 HydrophobicContact CB-CD1 4.3Å; I34-I130 HydrophobicContact CG1-CD1 3.62Å
35V95.6Very high94.4Very high5 Ų536.5 Ų36.53%0.0319%0.193CC..Hα-helixtrans-66.3-42.6-179.5177.60000111I11 L25 M27 T31 V37 V38 Y39 I44 F71I11-V35 HydrophobicContact CD1-CB 4.24Å; I11-V35 HydrophobicContact CD1-CG1 4.3Å; I11-V35 HydrophobicContact CD1-CG2 3.8Å; I11-V35 HydrophobicContact CG1-CG2 4.24Å; L25-V35 HydrophobicContact CD2-CG1 4.05Å; L25-V35 HydrophobicContact CD2-CG2 4.5Å; M27-V35 HydrophobicContact SD-CB 3.91Å; M27-V35 HydrophobicContact SD-CG1 4.39Å; M27-V35 HydrophobicContact SD-CG2 3.64Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 3.47Å; V35-V37 PolarHBondContact O-N 3.38Å; V35-V37 VanDerWaalsContact O-N 3.15Å; V35-V38 PolarHBondContact O-N 2.87Å; V35-Y39 PolarHBondContact O-N 3.47Å; V35-I44 HydrophobicContact CG1-CD1 3.68Å; V35-F71 HydrophobicContact CG2-CD1 3.86Å; V35-F71 HydrophobicContact CG2-CE1 4.15Å
36S93.3Very high94.1Very high43 Ų4344.2 Ų44.230%0.30123%0.228SC..Hα-helixtrans-64.1-21.6-174.771.80000114.9T32 S33T32-S36 VanDerWaalsContact O-CB 3.23Å; T32-S36 WeakPolarHBondContact O-CB 3.39Å; T32-S36 PolarHBondContact O-N 2.67Å; T32-S36 PolarHBondContact O-OG 2.86Å; S33-S36 PolarHBondContact O-N 3.01Å; S33-S36 PolarHBondContact O-OG 3.29Å
37V93.1Very high93.9Very high5 Ų547.2 Ų47.23%0.0324%0.241CC..Hα-helixtrans-83.1-31.2179.8167.40000112.1S33 V35 I130 A131 N258S33-V37 WeakPolarHBondContact O-CG2 3.42Å; S33-V37 PolarHBondContact O-N 2.99Å; V35-V37 PolarHBondContact O-N 3.38Å; V35-V37 VanDerWaalsContact O-N 3.15Å; V37-I130 HydrophobicContact CB-CG2 4.14Å; V37-I130 HydrophobicContact CG1-CG2 4.09Å; V37-I130 HydrophobicContact CG2-CG2 3.71Å; V37-A131 VanDerWaalsContact CG1-O 3.3Å; V37-A131 WeakPolarHBondContact CG1-O 3.4Å; V37-N258 HydrophobicContact CG2-CB 3.79Å
38V92.9Very high93.8Very high0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-101.8-19.9-174.6-61.90000114.1T4 V7 K8 I11 V35 A131T4-V38 HydrophobicContact CG2-CG1 4.02Å; V7-V38 HydrophobicContact CB-CG1 4.24Å; V7-V38 HydrophobicContact CG1-CG1 4.17Å; V7-V38 HydrophobicContact CG1-CG2 3.93Å; K8-V38 WeakPolarHBondContact CE-O 3.5Å; K8-V38 HydrophobicContact CG-CB 3.89Å; K8-V38 HydrophobicContact CG-CG2 4.39Å; I11-V38 HydrophobicContact CD1-CG2 3.47Å; I11-V38 VanDerWaalsContact CD1-CG2 3.47Å; V35-V38 PolarHBondContact O-N 2.87Å; V38-A131 HydrophobicContact CG1-CB 4.08Å
39Y91.8Very high93.8Very high25 Ų2549.5 Ų49.510%0.09825%0.252CS..  trans-129.1140.3179.6-87.1-67.8000112.6K8 I11 S12 V35 E43 I44K8-Y39 HydrophobicContact CB-CE2 4.3Å; K8-Y39 HydrophobicContact CG-CE2 4.12Å; K8-Y39 PolarHBondContact O-OH 2.86Å; I11-Y39 HydrophobicContact CB-CD2 4.16Å; I11-Y39 HydrophobicContact CB-CE2 3.79Å; I11-Y39 HydrophobicContact CD1-CD2 3.96Å; I11-Y39 HydrophobicContact CD1-CE2 4.24Å; I11-Y39 HydrophobicContact CG2-CD2 3.75Å; I11-Y39 HydrophobicContact CG2-CE2 3.67Å; S12-Y39 PolarHBondContact OG-OH 2.82Å; V35-Y39 PolarHBondContact O-N 3.47Å; Y39-E43 HydrophobicContact CD1-CB 3.81Å; Y39-E43 HydrophobicContact CE1-CB 4.32Å; Y39-I44 VanDerWaalsContact CB-CD1 3.48Å; Y39-I44 HydrophobicContact CD1-CG1 4.07Å; Y39-I44 HydrophobicContact CG-CD1 4.02Å; Y39-I44 HydrophobicContact CG-CG1 3.84Å
40T90.5Very high93.7Very high45 Ų4547.7 Ų47.728%0.27624%0.242SC..  trans-81.4159164.565.40000111.3S42 E43 I44 N282T40-S42 VanDerWaalsContact C-N 3.26Å; T40-S42 PolarHBondContact O-N 2.88Å; T40-E43 WeakPolarHBondContact CB-OE2 3.41Å; T40-E43 PolarHBondContact N-OE2 2.9Å; T40-E43 PolarHBondContact O-N 3.4Å; T40-E43 WeakPolarHBondContact OG1-CB 3.43Å; T40-E43 WeakPolarHBondContact OG1-CG 3.19Å; T40-E43 PolarHBondContact OG1-N 2.94Å; T40-E43 VanDerWaalsContact OG1-N 3.12Å; T40-E43 PolarHBondContact OG1-OE2 3.2Å; T40-I44 PolarHBondContact O-N 2.9Å; T40-N282 HydrophobicContact CG2-CB 4.29Å; T40-N282 WeakPolarHBondContact CG2-ND2 3.4Å
41Q89.4Confident93.7Very high138 Ų13847.6 Ų47.665%0.64524%0.243SC*.Hα-helixtrans-59-39.9171.4-72.2-179.2-20.200111.5I44 L45 F52Q41-I44 PolarHBondContact O-N 3.23Å; Q41-L45 VanDerWaalsContact O-CB 3.31Å; Q41-L45 WeakPolarHBondContact O-CB 3.38Å; Q41-L45 WeakPolarHBondContact O-CD1 3.43Å; Q41-L45 WeakPolarHBondContact O-CG 3.15Å; Q41-L45 PolarHBondContact O-N 3.23Å; Q41-F52 HydrophobicContact CG-CE2 4.36Å
42S89.3Confident93.6Very high80 Ų8050.9 Ų50.956%0.55926%0.257SS*.Hα-helixtrans-62.4-43.7179.7-56.90000112.7T40 L45 Q46T40-S42 VanDerWaalsContact C-N 3.26Å; T40-S42 PolarHBondContact O-N 2.88Å; S42-L45 PolarHBondContact O-N 2.83Å; S42-Q46 WeakPolarHBondContact O-CG 3.31Å; S42-Q46 PolarHBondContact O-N 2.88Å; S42-Q46 VanDerWaalsContact O-N 3.15Å
43E91.4Very high93.5Very high48 Ų4851.1 Ų51.122%0.22426%0.255CS..Hα-helixtrans-65.6-39177.2-72.2167.5121.100112.3Y39 T40Y39-E43 HydrophobicContact CD1-CB 3.81Å; Y39-E43 HydrophobicContact CE1-CB 4.32Å; T40-E43 WeakPolarHBondContact CB-OE2 3.41Å; T40-E43 PolarHBondContact N-OE2 2.9Å; T40-E43 PolarHBondContact O-N 3.4Å; T40-E43 WeakPolarHBondContact OG1-CB 3.43Å; T40-E43 WeakPolarHBondContact OG1-CG 3.19Å; T40-E43 PolarHBondContact OG1-N 2.94Å; T40-E43 VanDerWaalsContact OG1-N 3.12Å; T40-E43 PolarHBondContact OG1-OE2 3.2Å
44I92.8Very high93.6Very high3 Ų354.9 Ų54.92%0.01527%0.266CS..Hα-helixtrans-72.5-37.8178.7-71.7177.1000111.3V35 Y39 T40 Q41 Q46 K47 V49 F52V35-I44 HydrophobicContact CG1-CD1 3.68Å; Y39-I44 VanDerWaalsContact CB-CD1 3.48Å; Y39-I44 HydrophobicContact CD1-CG1 4.07Å; Y39-I44 HydrophobicContact CG-CD1 4.02Å; Y39-I44 HydrophobicContact CG-CG1 3.84Å; T40-I44 PolarHBondContact O-N 2.9Å; Q41-I44 PolarHBondContact O-N 3.23Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 PolarHBondContact O-N 2.95Å; I44-K47 CarbonylContact O-C 3.33Å; I44-K47 WeakPolarHBondContact O-CA 3.36Å; I44-K47 WeakPolarHBondContact O-CB 3.45Å; I44-K47 PolarHBondContact O-N 2.97Å; I44-V49 HydrophobicContact CG2-CB 3.37Å; I44-V49 HydrophobicContact CG2-CG1 3.48Å; I44-V49 VanDerWaalsContact CG2-CG1 3.48Å; I44-V49 HydrophobicContact CG2-CG2 4.09Å; I44-V49 PolarHBondContact O-N 3.2Å; I44-F52 HydrophobicContact CB-CE1 4.23Å; I44-F52 HydrophobicContact CB-CZ 3.89Å; I44-F52 HydrophobicContact CD1-CE1 3.86Å; I44-F52 HydrophobicContact CD1-CZ 4.29Å; I44-F52 HydrophobicContact CG2-CE1 3.6Å; I44-F52 HydrophobicContact CG2-CZ 3.43Å; I44-F52 VanDerWaalsContact CG2-CZ 3.43Å
45L92.9Very high93.6Very high67 Ų6755 Ų5535%0.35127%0.267SS..Hα-helixtrans-60.5-38.9174.9-79.5163.8000112.2Q41 S42 K47 E48 Y50Q41-L45 VanDerWaalsContact O-CB 3.31Å; Q41-L45 WeakPolarHBondContact O-CB 3.38Å; Q41-L45 WeakPolarHBondContact O-CD1 3.43Å; Q41-L45 WeakPolarHBondContact O-CG 3.15Å; Q41-L45 PolarHBondContact O-N 3.23Å; S42-L45 PolarHBondContact O-N 2.83Å; L45-K47 PolarHBondContact O-N 3.38Å; L45-K47 VanDerWaalsContact O-N 3.15Å; L45-E48 PolarHBondContact O-N 3.38Å; L45-Y50 HydrophobicContact CD2-CD1 3.55Å; L45-Y50 HydrophobicContact CD2-CE1 4.21Å; L45-Y50 HydrophobicContact CD2-CG 4.34Å
46Q92.7Very high93.5Very high165 Ų16557.5 Ų57.577%0.77128%0.28SS*.THydrogen-bonded Turntrans-62.7-17.1173.8-72.7172.83.400113.1S42 I44S42-Q46 WeakPolarHBondContact O-CG 3.31Å; S42-Q46 PolarHBondContact O-N 2.88Å; S42-Q46 VanDerWaalsContact O-N 3.15Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 PolarHBondContact O-N 2.95Å
47K93.6Very high93.6Very high63 Ų6357 Ų5727%0.27428%0.276SS..THydrogen-bonded Turntrans-99.620.1175.1-59.4171.8172-97.30112.9S12 I15 K23 I44 L45 V49S12-K47 PolarHBondContact OG-NZ 3.26Å; I15-K47 HydrophobicContact CD1-CB 4.41Å; I15-K47 HydrophobicContact CD1-CD 3.96Å; I15-K47 HydrophobicContact CG2-CB 3.77Å; I15-K47 WeakPolarHBondContact CG2-O 3.32Å; K23-K47 PolarHBondContact NZ-O 3.43Å; I44-K47 CarbonylContact O-C 3.33Å; I44-K47 WeakPolarHBondContact O-CA 3.36Å; I44-K47 WeakPolarHBondContact O-CB 3.45Å; I44-K47 PolarHBondContact O-N 2.97Å; L45-K47 PolarHBondContact O-N 3.38Å; L45-K47 VanDerWaalsContact O-N 3.15Å; K47-V49 VanDerWaalsContact C-N 3.28Å; K47-V49 PolarHBondContact O-N 2.73Å
48E95.5Very high93Very high63 Ų6365.7 Ų65.729%0.29432%0.317SS..THydrogen-bonded Turntrans66.719.4175.8-45.8166.711400115.2P20 G21 K23 L45 Y50P20-E48 VanDerWaalsContact CA-OE2 3.31Å; P20-E48 WeakPolarHBondContact CA-OE2 3.4Å; G21-E48 VanDerWaalsContact N-CD 3.32Å; G21-E48 PolarHBondContact N-OE1 3.45Å; G21-E48 PolarHBondContact N-OE2 3.16Å; G21-E48 VanDerWaalsContact N-OE2 3.12Å; G21-E48 VanDerWaalsContact O-CB 3.25Å; G21-E48 WeakPolarHBondContact O-CB 3.29Å; K23-E48 HydrophobicContact CD-CB 4.39Å; K23-E48 PolarHBondContact N-O 3.44Å; K23-E48 IonicContact NZ-OE2 3.07Å; K23-E48 PolarHBondContact NZ-OE2 3.25Å; L45-E48 PolarHBondContact O-N 3.38Å; E48-Y50 HydrophobicContact CB-CE2 4.01Å; E48-Y50 VanDerWaalsContact O-CD2 3.25Å; E48-Y50 WeakPolarHBondContact O-CD2 3.29Å; E48-Y50 WeakPolarHBondContact O-CE2 3.26Å
49V96.8Very high92.6Very high0 Ų070.7 Ų70.70%035%0.351CS..EExtended strand (participates in β ladder)trans-96.5105.2172.4174.20000107.9I15 K23 L25 I44 K47 F52 I69I15-V49 HydrophobicContact CD1-CG2 4.25Å; I15-V49 HydrophobicContact CG1-CG2 4.11Å; I15-V49 HydrophobicContact CG2-CG2 4.03Å; K23-V49 HydrophobicContact CB-CB 4.39Å; K23-V49 HydrophobicContact CB-CG2 3.85Å; K23-V49 HydrophobicContact CD-CG2 3.87Å; L25-V49 HydrophobicContact CB-CG1 3.71Å; I44-V49 HydrophobicContact CG2-CB 3.37Å; I44-V49 HydrophobicContact CG2-CG1 3.48Å; I44-V49 VanDerWaalsContact CG2-CG1 3.48Å; I44-V49 HydrophobicContact CG2-CG2 4.09Å; I44-V49 PolarHBondContact O-N 3.2Å; K47-V49 VanDerWaalsContact C-N 3.28Å; K47-V49 PolarHBondContact O-N 2.73Å; V49-F52 HydrophobicContact CG1-CE1 4.23Å; V49-F52 HydrophobicContact CG1-CZ 4.38Å; V49-I69 HydrophobicContact CG2-CD1 4.25Å
50Y94.8Very high92.6Very high119 Ų11970.3 Ų70.347%0.46735%0.35SS..EExtended strand (participates in β ladder)trans-99.9-23.8-170.6-63.6-75.6000113.7M22 K23 L45 E48M22-Y50 HydrophobicContact CB-CD2 4.12Å; M22-Y50 HydrophobicContact CB-CE2 4.36Å; M22-Y50 HydrophobicContact CG-CD2 4.04Å; M22-Y50 HydrophobicContact CG-CE2 3.94Å; K23-Y50 PolarHBondContact O-N 3.4Å; L45-Y50 HydrophobicContact CD2-CD1 3.55Å; L45-Y50 HydrophobicContact CD2-CE1 4.21Å; L45-Y50 HydrophobicContact CD2-CG 4.34Å; E48-Y50 HydrophobicContact CB-CE2 4.01Å; E48-Y50 VanDerWaalsContact O-CD2 3.25Å; E48-Y50 WeakPolarHBondContact O-CD2 3.29Å; E48-Y50 WeakPolarHBondContact O-CE2 3.26Å
51L94.8Very high92.7Very high60 Ų6073.9 Ų73.931%0.31437%0.367SS..EExtended strand (participates in β ladder)trans-123.2141.6-177.3-64-178.5000110.9V24 L25 M63 L66V24-L51 WeakPolarHBondContact CA-O 3.37Å; V24-L51 HydrophobicContact CB-CB 4.04Å; V24-L51 HydrophobicContact CG2-CB 3.76Å; L25-L51 PolarHBondContact N-O 2.88Å; L51-M63 HydrophobicContact CD1-CE 3.43Å; L51-M63 VanDerWaalsContact CD1-CE 3.43Å; L51-M63 HydrophobicContact CD1-SD 3.62Å; L51-L66 HydrophobicContact CD1-CD1 3.54Å; L51-L66 HydrophobicContact CG-CD1 4.48Å
52F95Very high92.9Very high69 Ų6971.3 Ų71.330%0.30336%0.364SS..EExtended strand (participates in β ladder)trans-123.7118.7176.3-57.7-90.5000107.6L25 M27 Q41 I44 V49L25-F52 HydrophobicContact CB-CD1 4.2Å; L25-F52 HydrophobicContact CD2-CD1 4.14Å; L25-F52 HydrophobicContact CD2-CE1 4.18Å; M27-F52 HydrophobicContact CE-CD1 4.18Å; Q41-F52 HydrophobicContact CG-CE2 4.36Å; I44-F52 HydrophobicContact CB-CE1 4.23Å; I44-F52 HydrophobicContact CB-CZ 3.89Å; I44-F52 HydrophobicContact CD1-CE1 3.86Å; I44-F52 HydrophobicContact CD1-CZ 4.29Å; I44-F52 HydrophobicContact CG2-CE1 3.6Å; I44-F52 HydrophobicContact CG2-CZ 3.43Å; I44-F52 VanDerWaalsContact CG2-CZ 3.43Å; V49-F52 HydrophobicContact CG1-CE1 4.23Å; V49-F52 HydrophobicContact CG1-CZ 4.38Å
53E95.9Very high93.2Very high52 Ų5269.1 Ų69.124%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-131.5153.5-172.9-79.2-68.2-179.700110.6V24 L25 L26 M27 R60V24-E53 HydrophobicContact CG2-CB 4.12Å; V24-E53 HydrophobicContact CG2-CG 4.02Å; L25-E53 PolarHBondContact O-N 2.85Å; L26-E53 WeakPolarHBondContact CA-O 3.31Å; L26-E53 HydrophobicContact CD1-CB 3.62Å; M27-E53 PolarHBondContact N-O 3.21Å; E53-R60 HydrophobicContact CG-CG 4.32Å; E53-R60 WeakPolarHBondContact OE2-CG 3.24Å
54R96.5Very high93.3Very high101 Ų10171.5 Ų71.538%0.38136%0.355SS..EExtended strand (participates in β ladder)trans-97.5138169.5-56.9-153.5-44.7158.54.8111.6M27 D56 S57 R60M27-R54 CarbonylContact O-C 3.48Å; M27-R54 VanDerWaalsContact O-CA 3.22Å; M27-R54 WeakPolarHBondContact O-CA 3.33Å; R54-D56 WeakPolarHBondContact CB-OD1 3.46Å; R54-D56 VanDerWaalsContact CZ-CG 3.44Å; R54-D56 IonicContact CZ-OD1 3.45Å; R54-D56 IonicContact CZ-OD2 3.21Å; R54-D56 IonicContact NE-OD1 3.3Å; R54-D56 PolarHBondContact NE-OD1 3.13Å; R54-D56 IonicContact NE-OD2 2.91Å; R54-D56 IonicContact NH1-OD1 3.83Å; R54-D56 IonicContact NH1-OD2 3.7Å; R54-D56 PolarHBondContact NH1-OD2 2.92Å; R54-D56 IonicContact NH2-OD1 3.75Å; R54-D56 PolarHBondContact NH2-OD1 3.43Å; R54-D56 IonicContact NH2-OD2 2.84Å; R54-D56 PolarHBondContact NH2-OD2 3.25Å; R54-D56 PolarHBondContact O-N 2.83Å; R54-S57 WeakPolarHBondContact O-CB 3.28Å; R54-S57 PolarHBondContact O-N 3.49Å; R54-R60 WeakPolarHBondContact O-CD 3.18Å; R54-R60 PolarHBondContact O-NE 3.38Å
55I96.8Very high93.4Very high4 Ų477 Ų772%0.02138%0.381CS..THydrogen-bonded Turntrans-60.7-34.8179.8-169.865.4000112.2L26 M27 D28 S57 R60 L72 H81 L82 E85L26-I55 HydrophobicContact CD1-CB 4.45Å; L26-I55 HydrophobicContact CD1-CD1 4.47Å; L26-I55 HydrophobicContact CD2-CD1 3.39Å; L26-I55 HydrophobicContact CG-CB 4.21Å; L26-I55 HydrophobicContact CG-CD1 3.89Å; M27-I55 PolarHBondContact O-N 2.84Å; D28-I55 HydrophobicContact CB-CG2 4.37Å; I55-S57 VanDerWaalsContact C-N 3.27Å; I55-S57 PolarHBondContact O-N 2.98Å; I55-R60 PolarHBondContact O-NH2 3.49Å; I55-L72 HydrophobicContact CB-CD2 4.04Å; I55-L72 HydrophobicContact CG1-CD1 4.35Å; I55-L72 HydrophobicContact CG2-CD2 3.78Å; I55-H81 HydrophobicContact CG1-CB 3.68Å; I55-H81 HydrophobicContact CG2-CB 4.41Å; I55-L82 HydrophobicContact CD1-CD1 4.34Å; I55-E85 HydrophobicContact CD1-CB 4.16Å; I55-E85 HydrophobicContact CD1-CG 4.37Å
56D94.6Very high93.6Very high58 Ų5874 Ų7431%0.3137%0.365SS..THydrogen-bonded Turntrans-82.1-0.2178.866.4-11.9000113.5R54 Q58R54-D56 WeakPolarHBondContact CB-OD1 3.46Å; R54-D56 VanDerWaalsContact CZ-CG 3.44Å; R54-D56 IonicContact CZ-OD1 3.45Å; R54-D56 IonicContact CZ-OD2 3.21Å; R54-D56 IonicContact NE-OD1 3.3Å; R54-D56 PolarHBondContact NE-OD1 3.13Å; R54-D56 IonicContact NE-OD2 2.91Å; R54-D56 IonicContact NH1-OD1 3.83Å; R54-D56 IonicContact NH1-OD2 3.7Å; R54-D56 PolarHBondContact NH1-OD2 2.92Å; R54-D56 IonicContact NH2-OD1 3.75Å; R54-D56 PolarHBondContact NH2-OD1 3.43Å; R54-D56 IonicContact NH2-OD2 2.84Å; R54-D56 PolarHBondContact NH2-OD2 3.25Å; R54-D56 PolarHBondContact O-N 2.83Å; D56-Q58 PolarHBondContact O-N 2.83Å
57S93.8Very high93.8Very high32 Ų3268.7 Ų68.722%0.22434%0.339CS..  trans-75.6119.3172-174.10000110.8R54 I55 R60R54-S57 WeakPolarHBondContact O-CB 3.28Å; R54-S57 PolarHBondContact O-N 3.49Å; I55-S57 VanDerWaalsContact C-N 3.27Å; I55-S57 PolarHBondContact O-N 2.98Å; S57-R60 PolarHBondContact O-NE 3.09Å; S57-R60 VanDerWaalsContact O-NE 3.17Å
58Q82Confident94Very high188 Ų18865.7 Ų65.788%0.87933%0.326SS*.THydrogen-bonded Turntrans-80-25.6-178.7-64.5-173.30.800113D56 R60D56-Q58 PolarHBondContact O-N 2.83Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.1Å
59S83.8Confident94.2Very high104 Ų10462.7 Ų62.773%0.72731%0.312SS*.THydrogen-bonded Turntrans-9023.5-173.860.60000114.3
60R92.8Very high94.3Very high18 Ų1862.7 Ų62.77%0.06831%0.312CS..PPolyproline II helixtrans-74.5131.4177.9-63.1-178.8-73.7117.1-3.8111E53 R54 I55 S57 Q58 E85 K90E53-R60 HydrophobicContact CG-CG 4.32Å; E53-R60 WeakPolarHBondContact OE2-CG 3.24Å; R54-R60 WeakPolarHBondContact O-CD 3.18Å; R54-R60 PolarHBondContact O-NE 3.38Å; I55-R60 PolarHBondContact O-NH2 3.49Å; S57-R60 PolarHBondContact O-NE 3.09Å; S57-R60 VanDerWaalsContact O-NE 3.17Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.1Å; R60-E85 IonicContact CZ-OE2 3.99Å; R60-E85 VanDerWaalsContact CZ-OE2 3.23Å; R60-E85 VanDerWaalsContact NH1-CD 3.29Å; R60-E85 IonicContact NH1-OE1 3.78Å; R60-E85 PolarHBondContact NH1-OE1 3.21Å; R60-E85 VanDerWaalsContact NH1-OE1 3.15Å; R60-E85 IonicContact NH1-OE2 3.62Å; R60-E85 PolarHBondContact NH1-OE2 3.41Å; R60-E85 IonicContact NH2-OE2 3.3Å; R60-E85 PolarHBondContact NH2-OE2 3.34Å; R60-K90 HydrophobicContact CB-CD 3.91Å; R60-K90 WeakPolarHBondContact O-CD 3.31Å; R60-K90 PolarHBondContact O-NZ 3.42Å
61D91.3Very high94.4Very high119 Ų11957.2 Ų57.264%0.63629%0.291SS*.PPolyproline II helixtrans-74.1152.8176.3-66.5-42.9000112.4M63D61-M63 HydrophobicContact CB-CE 4.36Å
62S94.1Very high94.6Very high84 Ų8454.3 Ų54.359%0.58728%0.276SS*.PPolyproline II helixtrans-80.3118172.6-1720000109.7
63M95.3Very high94.8Very high35 Ų3551.7 Ų51.717%0.17226%0.264CS..  trans-132.474.9-175.6-71.1-179.5-79.900109.9L51 D61 H65 L66 K90 Y91L51-M63 HydrophobicContact CD1-CE 3.43Å; L51-M63 VanDerWaalsContact CD1-CE 3.43Å; L51-M63 HydrophobicContact CD1-SD 3.62Å; D61-M63 HydrophobicContact CB-CE 4.36Å; M63-H65 PolarHBondContact O-N 2.95Å; M63-L66 HydrophobicContact CB-CD1 3.68Å; M63-L66 HydrophobicContact CB-CG 3.95Å; M63-L66 HydrophobicContact CE-CD1 4.11Å; M63-L66 HydrophobicContact CG-CD1 4.33Å; M63-L66 WeakPolarHBondContact O-CB 3.45Å; M63-L66 PolarHBondContact O-N 2.93Å; M63-L66 HydrophobicContact SD-CD1 3.76Å; M63-K90 CarbonylContact C-O 3.44Å; M63-K90 PolarHBondContact N-O 3.03Å; M63-Y91 HydrophobicContact CB-CD1 4.34Å; M63-Y91 HydrophobicContact CB-CE1 4.37Å; M63-Y91 HydrophobicContact CE-CE1 4.26Å
64K94.4Very high94.8Very high98 Ų9850.2 Ų50.243%0.42626%0.259SS..THydrogen-bonded Turntrans-65.8-1.7-176.5-65.6-65.8-175.7171.90115.5P89 Y91 S92K64-P89 WeakPolarHBondContact CE-O 3.35Å; K64-P89 PolarHBondContact NZ-O 3.35Å; K64-Y91 WeakPolarHBondContact CD-O 3.33Å; K64-Y91 PolarHBondContact NZ-O 3.18Å; K64-S92 VanDerWaalsContact O-CB 3.31Å; K64-S92 WeakPolarHBondContact O-CB 3.39Å
65H93.5Very high94.9Very high118 Ų11847.1 Ų47.155%0.54625%0.251SS..THydrogen-bonded Turntrans-92.5-6.3171.360.7-87.7000112.8M63M63-H65 PolarHBondContact O-N 2.95Å
66L97.2Very high94.9Very high5 Ų554.8 Ų54.83%0.02628%0.284CS..SBendtrans-99.5150.1-179.6-58.8-178.7000111.9M22 V24 L51 M63 Y91 S92M22-L66 HydrophobicContact CB-CD2 3.35Å; M22-L66 HydrophobicContact CG-CD2 4.43Å; M22-L66 WeakPolarHBondContact O-CA 3.3Å; M22-L66 HydrophobicContact SD-CD2 4.38Å; V24-L66 HydrophobicContact CB-CD1 4.39Å; V24-L66 HydrophobicContact CG1-CB 4.47Å; L51-L66 HydrophobicContact CD1-CD1 3.54Å; L51-L66 HydrophobicContact CG-CD1 4.48Å; M63-L66 HydrophobicContact CB-CD1 3.68Å; M63-L66 HydrophobicContact CB-CG 3.95Å; M63-L66 HydrophobicContact CE-CD1 4.11Å; M63-L66 HydrophobicContact CG-CD1 4.33Å; M63-L66 WeakPolarHBondContact O-CB 3.45Å; M63-L66 PolarHBondContact O-N 2.93Å; M63-L66 HydrophobicContact SD-CD1 3.76Å; L66-Y91 HydrophobicContact CB-CD1 4.16Å; L66-S92 PolarHBondContact O-N 3.36Å; L66-S92 PolarHBondContact O-OG 3Å
67K97.9Very high95Very high53 Ų5357.7 Ų57.723%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-94.4136.8165.9-55-176.3170.8173.10109.8S18 P20 M22 K23 V24 V93 F95S18-K67 WeakPolarHBondContact O-CD 3.32Å; S18-K67 PolarHBondContact O-NZ 3.3Å; P20-K67 PolarHBondContact O-NZ 2.9Å; M22-K67 PolarHBondContact O-N 3.36Å; K23-K67 CarbonylContact C-O 3.53Å; K23-K67 VanDerWaalsContact CA-O 3.25Å; K23-K67 WeakPolarHBondContact CA-O 3.36Å; K23-K67 HydrophobicContact CG-CB 4.26Å; V24-K67 WeakPolarHBondContact CG1-O 3.22Å; V24-K67 PolarHBondContact N-O 3.37Å; K67-V93 HydrophobicContact CB-CG1 3.77Å; K67-V93 HydrophobicContact CD-CG1 4.1Å; K67-V93 HydrophobicContact CG-CG1 3.54Å; K67-F95 HydrophobicContact CD-CE2 4.4Å
68A98.2Very high95.2Very high0 Ų057 Ų570%029%0.29CS..EExtended strand (participates in β ladder)trans-98.9126.117700000111.5V24 Y91 V93 Y94 F95V24-A68 HydrophobicContact CG1-CB 3.95Å; A68-Y91 HydrophobicContact CB-CD2 3.45Å; A68-Y91 VanDerWaalsContact CB-CD2 3.45Å; A68-Y91 HydrophobicContact CB-CE2 4.24Å; A68-Y91 HydrophobicContact CB-CG 3.89Å; A68-V93 PolarHBondContact N-O 3.24Å; A68-Y94 HydrophobicContact CB-CD1 3.61Å; A68-Y94 HydrophobicContact CB-CE1 3.77Å; A68-Y94 HydrophobicContact CB-CG 4.09Å; A68-Y94 WeakPolarHBondContact O-CA 3.41Å; A68-F95 PolarHBondContact O-N 2.8Å
69I98.5Very high95.9Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-102.6107.3166.3-57.5172.3000106.1M14 I15 K23 V24 L25 L26 V49 Y97M14-I69 HydrophobicContact CB-CG2 4.05Å; I15-I69 HydrophobicContact CB-CD1 4.36Å; I15-I69 HydrophobicContact CG1-CD1 4.03Å; K23-I69 HydrophobicContact CB-CD1 4.31Å; K23-I69 HydrophobicContact CD-CD1 4.2Å; K23-I69 HydrophobicContact CG-CD1 4.34Å; V24-I69 PolarHBondContact O-N 3.47Å; L25-I69 HydrophobicContact CD1-CB 3.95Å; L25-I69 HydrophobicContact CD1-CG2 3.73Å; L26-I69 PolarHBondContact N-O 2.96Å; V49-I69 HydrophobicContact CG2-CD1 4.25Å; I69-Y97 HydrophobicContact CG2-CD2 3.94Å; I69-Y97 HydrophobicContact CG2-CE2 3.96Å
70C98.5Very high96.6Very high0 Ų047.8 Ų47.80%024%0.236CC..EExtended strand (participates in β ladder)trans-89.9119.9175.1-59.40000108.9L26 L72 F95 I96 Y97L26-C70 CarbonylContact O-C 3.37Å; L26-C70 VanDerWaalsContact O-CA 3.31Å; L26-C70 WeakPolarHBondContact O-CA 3.37Å; C70-L72 HydrophobicContact CB-CD1 4.31Å; C70-L72 HydrophobicContact CB-CG 4.43Å; C70-F95 PolarHBondContact N-O 2.91Å; C70-I96 HydrophobicContact CB-CG1 4.37Å; C70-Y97 WeakPolarHBondContact O-CA 3.19Å; C70-Y97 WeakPolarHBondContact O-CB 3.47Å; C70-Y97 PolarHBondContact O-N 2.69Å
71F98.6Very high96.9Very high3 Ų349.8 Ų49.81%0.01325%0.246CC..EExtended strand (participates in β ladder)trans-119.9105.1169.5178.6-135.8000109.5M14 L26 T31 I34 V35 Y97M14-F71 HydrophobicContact CE-CB 4.36Å; M14-F71 HydrophobicContact CE-CD1 4.16Å; M14-F71 HydrophobicContact CE-CD2 3.33Å; M14-F71 HydrophobicContact CE-CE1 4.31Å; M14-F71 HydrophobicContact CE-CE2 3.5Å; M14-F71 HydrophobicContact CE-CG 3.69Å; M14-F71 HydrophobicContact CE-CZ 4.01Å; M14-F71 HydrophobicContact SD-CB 3.95Å; M14-F71 HydrophobicContact SD-CD2 4.03Å; M14-F71 HydrophobicContact SD-CG 3.93Å; L26-F71 PolarHBondContact O-N 3.39Å; T31-F71 VanDerWaalsContact CB-O 3.24Å; T31-F71 WeakPolarHBondContact CB-O 3.18Å; T31-F71 HydrophobicContact CG2-CD1 3.9Å; T31-F71 HydrophobicContact CG2-CD2 4.39Å; T31-F71 HydrophobicContact CG2-CE1 3.8Å; T31-F71 HydrophobicContact CG2-CE2 4.31Å; T31-F71 HydrophobicContact CG2-CG 4.19Å; T31-F71 HydrophobicContact CG2-CZ 4.02Å; T31-F71 WeakPolarHBondContact CG2-O 3.22Å; T31-F71 PolarHBondContact OG1-O 2.84Å; I34-F71 HydrophobicContact CB-CE1 4.46Å; I34-F71 HydrophobicContact CG2-CE1 4.21Å; V35-F71 HydrophobicContact CG2-CD1 3.86Å; V35-F71 HydrophobicContact CG2-CE1 4.15Å; F71-Y97 WeakPolarHBondContact CA-O 3.32Å
72L98.6Very high97.2Very high0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-134148.8-167.2-57.4175.5000111.4D28 I55 C70 L82 Y97 F98 S99D28-L72 HydrophobicContact CB-CD2 4.03Å; D28-L72 WeakPolarHBondContact OD2-CA 3.49Å; I55-L72 HydrophobicContact CB-CD2 4.04Å; I55-L72 HydrophobicContact CG1-CD1 4.35Å; I55-L72 HydrophobicContact CG2-CD2 3.78Å; C70-L72 HydrophobicContact CB-CD1 4.31Å; C70-L72 HydrophobicContact CB-CG 4.43Å; L72-L82 HydrophobicContact CD1-CB 4.43Å; L72-L82 HydrophobicContact CD1-CD1 4.3Å; L72-L82 HydrophobicContact CD1-CD2 4.16Å; L72-Y97 PolarHBondContact N-O 3.06Å; L72-F98 HydrophobicContact CB-CD1 4.45Å; L72-F98 HydrophobicContact CB-CE1 4.43Å; L72-F98 CarbonylContact O-C 3.47Å; L72-F98 WeakPolarHBondContact O-CA 3.49Å; L72-S99 PolarHBondContact O-N 3.48Å
73R98.1Very high97.4Very high14 Ų1440.7 Ų40.75%0.05319%0.191CC..  trans-70.5141.6162.5-56.7-163.966.1-124.7-12109.5D28 E30 T31 T75 N78 S99 D128 R171D28-R73 PolarHBondContact OD2-N 2.95Å; E30-R73 HydrophobicContact CB-CG 4.17Å; E30-R73 WeakPolarHBondContact OE1-CD 3.4Å; E30-R73 IonicContact OE1-CZ 2.64Å; E30-R73 IonicContact OE1-NE 2.69Å; E30-R73 IonicContact OE1-NH1 3.22Å; E30-R73 PolarHBondContact OE1-NH1 3.16Å; E30-R73 WeakPolarHBondContact OE2-CD 3.37Å; E30-R73 IonicContact OE2-CZ 2.67Å; E30-R73 IonicContact OE2-NE 2.83Å; E30-R73 PolarHBondContact OE2-NE 3.46Å; E30-R73 IonicContact OE2-NH1 2.97Å; E30-R73 PolarHBondContact OE2-NH1 3.25Å; T31-R73 HydrophobicContact CG2-CG 4.03Å; R73-T75 HydrophobicContact CB-CG2 3.99Å; R73-T75 PolarHBondContact O-N 3.06Å; R73-N78 VanDerWaalsContact O-CB 3.3Å; R73-N78 WeakPolarHBondContact O-CB 3.3Å; R73-N78 PolarHBondContact O-ND2 3.22Å; R73-S99 WeakPolarHBondContact CA-OG 3.13Å; R73-S99 WeakPolarHBondContact CG-OG 3.42Å; R73-D128 WeakPolarHBondContact CD-OD1 3.14Å; R73-D128 IonicContact CZ-OD1 2.69Å; R73-D128 IonicContact CZ-OD2 3.91Å; R73-D128 IonicContact NE-OD1 3.64Å; R73-D128 PolarHBondContact NE-OD1 3.49Å; R73-D128 IonicContact NE-OD2 2.96Å; R73-D128 PolarHBondContact NE-OD2 2.98Å; R73-D128 IonicContact NH2-OD1 2.74Å; R73-D128 IonicContact NH2-OD2 3.11Å; R73-D128 PolarHBondContact NH2-OD2 3.38Å; R73-R171 VanDerWaalsContact CZ-CD 3.48Å
74P97.4Very high97.4Very high21 Ų2144 Ų4414%0.13621%0.205CC..  trans-77.860.6176.933.7-36.2000111.1F98 N100 V101 I102P74-F98 HydrophobicContact CB-CB 4.4Å; P74-F98 HydrophobicContact CB-CD1 3.81Å; P74-F98 HydrophobicContact CB-CE1 4.46Å; P74-F98 HydrophobicContact CB-CG 4.26Å; P74-N100 HydrophobicContact CG-CB 3.91Å; P74-V101 WeakPolarHBondContact CG-O 3.37Å; P74-I102 HydrophobicContact CB-CB 4Å; P74-I102 HydrophobicContact CB-CD1 4.47Å; P74-I102 HydrophobicContact CB-CG1 4.23Å
75T97.3Very high97.5Very high35 Ų3539.6 Ų39.622%0.21519%0.186CC..  trans-91.2156.4171.776.70000110.3R73 E77 N78 V79R73-T75 HydrophobicContact CB-CG2 3.99Å; R73-T75 PolarHBondContact O-N 3.06Å; T75-E77 WeakPolarHBondContact CB-OE2 3.48Å; T75-E77 PolarHBondContact O-N 3Å; T75-E77 PolarHBondContact OG1-OE2 3.05Å; T75-N78 PolarHBondContact O-N 2.68Å; T75-N78 PolarHBondContact OG1-N 2.72Å; T75-N78 PolarHBondContact OG1-ND2 2.71Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.38Å
76K96.3Very high97.7Very high165 Ų16534 Ų3472%0.71716%0.161SC*.Hα-helixtrans-57.5-38.2178.2-67.5-175.1177.6-177.40111.9Q80K76-Q80 WeakPolarHBondContact O-CB 3.43Å; K76-Q80 PolarHBondContact O-N 2.94Å
77E97.2Very high97.7Very high120 Ų12040.2 Ų40.256%0.56118%0.184SC*.Hα-helixtrans-65.5-48.1178.1-59.375-161.600111.3T75 Q80 H81T75-E77 WeakPolarHBondContact CB-OE2 3.48Å; T75-E77 PolarHBondContact O-N 3Å; T75-E77 PolarHBondContact OG1-OE2 3.05Å; E77-Q80 PolarHBondContact O-N 3.33Å; E77-H81 PolarHBondContact O-CD2 3.34Å; E77-H81 PolarHBondContact O-N 2.77Å
78N98Very high97.6Very high17 Ų1747.7 Ų47.79%0.09121%0.21CC..Hα-helixtrans-65.3-42.2179.7-76.3-18.3000112.2D28 R73 T75 Q80 H81 L82D28-N78 WeakPolarHBondContact CB-OD1 3.38Å; D28-N78 PolarHBondContact OD2-ND2 3.12Å; R73-N78 VanDerWaalsContact O-CB 3.3Å; R73-N78 WeakPolarHBondContact O-CB 3.3Å; R73-N78 PolarHBondContact O-ND2 3.22Å; T75-N78 PolarHBondContact O-N 2.68Å; T75-N78 PolarHBondContact OG1-N 2.72Å; T75-N78 PolarHBondContact OG1-ND2 2.71Å; N78-Q80 VanDerWaalsContact C-N 3.29Å; N78-Q80 PolarHBondContact O-N 2.74Å; N78-H81 PolarHBondContact O-N 2.97Å; N78-L82 WeakPolarHBondContact O-CB 3.29Å; N78-L82 PolarHBondContact O-N 2.83Å
79V98.1Very high97.5Very high9 Ų948 Ų486%0.05521%0.212CC..Hα-helixtrans-60.1-43174.9172.40000110T75 H81 L82 I83 F98 I102 E106T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.38Å; V79-H81 PolarHBondContact O-N 3.05Å; V79-L82 PolarHBondContact O-N 3.01Å; V79-I83 HydrophobicContact CG1-CD1 3.93Å; V79-I83 HydrophobicContact CG1-CG1 4.45Å; V79-I83 VanDerWaalsContact O-CG1 3.3Å; V79-I83 WeakPolarHBondContact O-CG1 3.33Å; V79-I83 PolarHBondContact O-N 3.15Å; V79-F98 HydrophobicContact CG2-CE1 4.5Å; V79-I102 HydrophobicContact CG2-CD1 4.29Å; V79-E106 HydrophobicContact CG1-CB 4.21Å; V79-E106 HydrophobicContact CG1-CG 4.27Å; V79-E106 HydrophobicContact CG2-CB 4.39Å; V79-E106 HydrophobicContact CG2-CG 4.38Å
80Q97.9Very high97.5Very high90 Ų9050 Ų5042%0.42122%0.221SC..Hα-helixtrans-64.8-41177.4-175.264.22.900112.7K76 E77 N78 L82 I83 Q84K76-Q80 WeakPolarHBondContact O-CB 3.43Å; K76-Q80 PolarHBondContact O-N 2.94Å; E77-Q80 PolarHBondContact O-N 3.33Å; N78-Q80 VanDerWaalsContact C-N 3.29Å; N78-Q80 PolarHBondContact O-N 2.74Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-I83 PolarHBondContact O-N 2.87Å; Q80-Q84 WeakPolarHBondContact O-CG 3.21Å; Q80-Q84 PolarHBondContact O-N 3.3Å
81H97.9Very high97.4Very high60 Ų6050 Ų5028%0.27822%0.221SC..Hα-helixtrans-64.8-37.4174.9-68-55.8000112.1I55 E77 N78 V79 Q84 E85I55-H81 HydrophobicContact CG1-CB 3.68Å; I55-H81 HydrophobicContact CG2-CB 4.41Å; E77-H81 PolarHBondContact O-CD2 3.34Å; E77-H81 PolarHBondContact O-N 2.77Å; N78-H81 PolarHBondContact O-N 2.97Å; V79-H81 PolarHBondContact O-N 3.05Å; H81-Q84 PolarHBondContact O-N 3.27Å; H81-E85 WeakPolarHBondContact O-CB 3.45Å; H81-E85 PolarHBondContact O-N 2.89Å
82L97.9Very high97.3Very high0 Ų052.3 Ų52.30%024%0.238CC..Hα-helixtrans-68.7-39.6176.4-168.360.9000111.9I55 L72 N78 V79 Q80 Q84 E85 L86 I96 F98 L110I55-L82 HydrophobicContact CD1-CD1 4.34Å; L72-L82 HydrophobicContact CD1-CB 4.43Å; L72-L82 HydrophobicContact CD1-CD1 4.3Å; L72-L82 HydrophobicContact CD1-CD2 4.16Å; N78-L82 WeakPolarHBondContact O-CB 3.29Å; N78-L82 PolarHBondContact O-N 2.83Å; V79-L82 PolarHBondContact O-N 3.01Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; L82-Q84 VanDerWaalsContact C-N 3.3Å; L82-Q84 PolarHBondContact O-N 2.98Å; L82-E85 WeakPolarHBondContact O-CB 3.25Å; L82-E85 PolarHBondContact O-N 3.46Å; L82-L86 HydrophobicContact CG-CD1 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.29Å; L82-I96 HydrophobicContact CD1-CD1 4.49Å; L82-I96 HydrophobicContact CD2-CD1 3.97Å; L82-I96 HydrophobicContact CD2-CG1 4.32Å; L82-I96 HydrophobicContact CD2-CG2 3.72Å; L82-I96 HydrophobicContact CG-CD1 4.46Å; L82-F98 HydrophobicContact CD2-CZ 3.92Å; L82-L110 HydrophobicContact CB-CD2 3.99Å; L82-L110 HydrophobicContact CD2-CD1 4.18Å; L82-L110 HydrophobicContact CD2-CD2 3.74Å; L82-L110 HydrophobicContact CG-CD2 3.79Å
83I98.1Very high97.3Very high12 Ų1253.8 Ų53.86%0.06225%0.247CC..Hα-helixtrans-57.9-44.1171.5-73.3168.4000110.9V79 Q80 E85 L86 R87 A109 L110 A113V79-I83 HydrophobicContact CG1-CD1 3.93Å; V79-I83 HydrophobicContact CG1-CG1 4.45Å; V79-I83 VanDerWaalsContact O-CG1 3.3Å; V79-I83 WeakPolarHBondContact O-CG1 3.33Å; V79-I83 PolarHBondContact O-N 3.15Å; Q80-I83 PolarHBondContact O-N 2.87Å; I83-E85 VanDerWaalsContact C-N 3.33Å; I83-L86 PolarHBondContact O-N 3.14Å; I83-R87 VanDerWaalsContact CG2-CZ 3.43Å; I83-R87 WeakPolarHBondContact O-CG 3.43Å; I83-R87 PolarHBondContact O-N 2.82Å; I83-R87 VanDerWaalsContact O-N 3.14Å; I83-A109 HydrophobicContact CD1-CB 3.98Å; I83-L110 HydrophobicContact CG1-CD2 3.8Å; I83-A113 HydrophobicContact CB-CB 4.29Å; I83-A113 HydrophobicContact CG1-CB 4.3Å; I83-A113 HydrophobicContact CG2-CB 3.87Å
84Q96.4Very high97.3Very high103 Ų10353.1 Ų53.148%0.48124%0.244SC..Hα-helixtrans-65.2-38.2177.1-71173.37.100112.2Q80 H81 L82Q80-Q84 WeakPolarHBondContact O-CG 3.21Å; Q80-Q84 PolarHBondContact O-N 3.3Å; H81-Q84 PolarHBondContact O-N 3.27Å; L82-Q84 VanDerWaalsContact C-N 3.3Å; L82-Q84 PolarHBondContact O-N 2.98Å
85E96.9Very high97.4Very high6 Ų653.1 Ų53.13%0.02824%0.242CC..Hα-helixtrans-62.7-48.2174.5-179.670-174.400111.3I55 R60 H81 L82 I83 R87 R88 P89 Y91 Y94I55-E85 HydrophobicContact CD1-CB 4.16Å; I55-E85 HydrophobicContact CD1-CG 4.37Å; R60-E85 IonicContact CZ-OE2 3.99Å; R60-E85 VanDerWaalsContact CZ-OE2 3.23Å; R60-E85 VanDerWaalsContact NH1-CD 3.29Å; R60-E85 IonicContact NH1-OE1 3.78Å; R60-E85 PolarHBondContact NH1-OE1 3.21Å; R60-E85 VanDerWaalsContact NH1-OE1 3.15Å; R60-E85 IonicContact NH1-OE2 3.62Å; R60-E85 PolarHBondContact NH1-OE2 3.41Å; R60-E85 IonicContact NH2-OE2 3.3Å; R60-E85 PolarHBondContact NH2-OE2 3.34Å; H81-E85 WeakPolarHBondContact O-CB 3.45Å; H81-E85 PolarHBondContact O-N 2.89Å; L82-E85 WeakPolarHBondContact O-CB 3.25Å; L82-E85 PolarHBondContact O-N 3.46Å; I83-E85 VanDerWaalsContact C-N 3.33Å; E85-R87 VanDerWaalsContact C-N 3.35Å; E85-R87 PolarHBondContact O-N 2.94Å; E85-R88 CarbonylContact O-C 3.58Å; E85-R88 PolarHBondContact O-N 2.61Å; E85-R88 VanDerWaalsContact O-N 3.13Å; E85-P89 WeakPolarHBondContact O-CA 3.4Å; E85-Y91 WeakPolarHBondContact OE1-CE2 3.27Å; E85-Y94 HydrophobicContact CG-CE1 3.54Å; E85-Y94 PolarHBondContact OE1-OH 3.13Å
86L97.6Very high97.4Very high1 Ų151.5 Ų51.51%0.00523%0.232CC..Hα-helixtrans-68.6-30.2-176.8-66.3178.1000113.5L82 I83 R88 P89 Y94 I96 L110 A113 D114 V118 V119L82-L86 HydrophobicContact CG-CD1 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.29Å; I83-L86 PolarHBondContact O-N 3.14Å; L86-R88 VanDerWaalsContact C-N 3.25Å; L86-R88 PolarHBondContact O-N 3.23Å; L86-P89 WeakPolarHBondContact O-CD 3.45Å; L86-Y94 HydrophobicContact CD2-CD1 4.32Å; L86-Y94 HydrophobicContact CD2-CD2 4.36Å; L86-Y94 HydrophobicContact CD2-CG 4.14Å; L86-I96 HydrophobicContact CD1-CD1 4.29Å; L86-L110 HydrophobicContact CD1-CB 4.42Å; L86-L110 HydrophobicContact CD1-CD2 4.06Å; L86-A113 CarbonylContact C-O 3.57Å; L86-A113 HydrophobicContact CB-CB 4.28Å; L86-D114 HydrophobicContact CD1-CB 4.44Å; L86-V118 HydrophobicContact CD2-CG2 4.13Å; L86-V119 HydrophobicContact CD1-CG2 3.87Å; L86-V119 HydrophobicContact CD2-CG2 3.53Å; L86-V119 HydrophobicContact CG-CG2 4.35Å
87R96.5Very high97.5Very high135 Ų13543.6 Ų43.651%0.50920%0.198SC..Hα-helixtrans-65.6-28.6172.3-75175.6-1801483.8113.2I83 E85 A113I83-R87 VanDerWaalsContact CG2-CZ 3.43Å; I83-R87 WeakPolarHBondContact O-CG 3.43Å; I83-R87 PolarHBondContact O-N 2.82Å; I83-R87 VanDerWaalsContact O-N 3.14Å; E85-R87 VanDerWaalsContact C-N 3.35Å; E85-R87 PolarHBondContact O-N 2.94Å; R87-A113 HydrophobicContact CG-CB 4.3Å
88R95.3Very high97.6Very high210 Ų21037.9 Ų37.979%0.79217%0.171SC*.SBendtrans-138.867.9-179.7-67.4-174.6179.1178.7-0.5109E85 L86 K90E85-R88 CarbonylContact O-C 3.58Å; E85-R88 PolarHBondContact O-N 2.61Å; E85-R88 VanDerWaalsContact O-N 3.13Å; L86-R88 VanDerWaalsContact C-N 3.25Å; L86-R88 PolarHBondContact O-N 3.23Å; R88-K90 PolarHBondContact O-N 2.94Å
89P96.9Very high97.6Very high7 Ų737.1 Ų37.15%0.04517%0.167CC..  trans-64.4134.1-169.224.4-28.8000109.5K64 E85 L86 Y94 Q116 V118K64-P89 WeakPolarHBondContact CE-O 3.35Å; K64-P89 PolarHBondContact NZ-O 3.35Å; E85-P89 WeakPolarHBondContact O-CA 3.4Å; L86-P89 WeakPolarHBondContact O-CD 3.45Å; P89-Y94 WeakPolarHBondContact CA-OH 3.39Å; P89-Y94 HydrophobicContact CB-CE2 3.63Å; P89-Q116 HydrophobicContact CG-CB 4.33Å; P89-Q116 HydrophobicContact CG-CG 4.4Å; P89-V118 HydrophobicContact CB-CG1 4.45Å; P89-V118 HydrophobicContact CB-CG2 3.88Å; P89-V118 HydrophobicContact CG-CG1 4.19Å; P89-V118 HydrophobicContact CG-CG2 4.16Å
90K97Very high97.5Very high41 Ų4137.1 Ų37.118%0.17817%0.167CC..SBendtrans-89.9-20.1177.6-61.9-171.3-177.7-170.30112.5R60 M63 R88 Y94R60-K90 HydrophobicContact CB-CD 3.91Å; R60-K90 WeakPolarHBondContact O-CD 3.31Å; R60-K90 PolarHBondContact O-NZ 3.42Å; M63-K90 CarbonylContact C-O 3.44Å; M63-K90 PolarHBondContact N-O 3.03Å; R88-K90 PolarHBondContact O-N 2.94Å; K90-Y94 PolarHBondContact N-OH 3.45Å
91Y97.4Very high97.4Very high0 Ų035.2 Ų35.20%016%0.161CC..SBendtrans-114.9173.6-176.4-48.1-62.6000110.8V24 L26 M63 K64 L66 A68 E85 Y94V24-Y91 HydrophobicContact CB-CE1 4.46Å; V24-Y91 HydrophobicContact CG1-CD1 3.76Å; V24-Y91 HydrophobicContact CG1-CD2 4.03Å; V24-Y91 HydrophobicContact CG1-CE1 3.67Å; V24-Y91 HydrophobicContact CG1-CE2 3.93Å; V24-Y91 HydrophobicContact CG1-CG 3.94Å; L26-Y91 HydrophobicContact CD2-CE2 4.26Å; M63-Y91 HydrophobicContact CB-CD1 4.34Å; M63-Y91 HydrophobicContact CB-CE1 4.37Å; M63-Y91 HydrophobicContact CE-CE1 4.26Å; K64-Y91 WeakPolarHBondContact CD-O 3.33Å; K64-Y91 PolarHBondContact NZ-O 3.18Å; L66-Y91 HydrophobicContact CB-CD1 4.16Å; A68-Y91 HydrophobicContact CB-CD2 3.45Å; A68-Y91 VanDerWaalsContact CB-CD2 3.45Å; A68-Y91 HydrophobicContact CB-CE2 4.24Å; A68-Y91 HydrophobicContact CB-CG 3.89Å; E85-Y91 WeakPolarHBondContact OE1-CE2 3.27Å; Y91-Y94 AromaticContact CD2-CE1 3.74Å; Y91-Y94 HydrophobicContact CD2-CE1 3.74Å; Y91-Y94 HydrophobicContact CD2-CE2 4.48Å; Y91-Y94 AromaticContact CD2-CZ 3.58Å; Y91-Y94 WeakPolarHBondContact CD2-OH 3.49Å; Y91-Y94 HydrophobicContact CE2-CE1 4.49Å; Y91-Y94 PolarHBondContact N-OH 3.12Å; Y91-Y94 VanDerWaalsContact N-OH 3.09Å
92S96.6Very high97.3Very high52 Ų5233 Ų3336%0.36415%0.151SC..SBendtrans-77.8-40.6-178.252.90000113.3K64 L66K64-S92 VanDerWaalsContact O-CB 3.31Å; K64-S92 WeakPolarHBondContact O-CB 3.39Å; L66-S92 PolarHBondContact O-N 3.36Å; L66-S92 PolarHBondContact O-OG 3Å
93V98Very high97.2Very high32 Ų3235.2 Ų35.219%0.19417%0.166CC..EExtended strand (participates in β ladder)trans-149.4146.4-174.160.40000109.4K67 A68 F95 V118 A120K67-V93 HydrophobicContact CB-CG1 3.77Å; K67-V93 HydrophobicContact CD-CG1 4.1Å; K67-V93 HydrophobicContact CG-CG1 3.54Å; A68-V93 PolarHBondContact N-O 3.24Å; V93-F95 HydrophobicContact CG1-CE2 3.95Å; V93-F95 HydrophobicContact CG2-CE2 3.97Å; V93-F95 HydrophobicContact CG2-CZ 4.36Å; V93-V118 CarbonylContact C-O 3.5Å; V93-V118 VanDerWaalsContact CA-O 3.3Å; V93-V118 WeakPolarHBondContact CA-O 3.48Å; V93-A120 HydrophobicContact CG2-CB 3.46Å; V93-A120 VanDerWaalsContact CG2-CB 3.46Å
94Y98.6Very high97Very high0 Ų043.8 Ų43.80%020%0.203CC..EExtended strand (participates in β ladder)trans-121.1127.9-177-69.6-105.9000110.9A68 E85 L86 P89 K90 Y91 V118 A120A68-Y94 HydrophobicContact CB-CD1 3.61Å; A68-Y94 HydrophobicContact CB-CE1 3.77Å; A68-Y94 HydrophobicContact CB-CG 4.09Å; A68-Y94 WeakPolarHBondContact O-CA 3.41Å; E85-Y94 HydrophobicContact CG-CE1 3.54Å; E85-Y94 PolarHBondContact OE1-OH 3.13Å; L86-Y94 HydrophobicContact CD2-CD1 4.32Å; L86-Y94 HydrophobicContact CD2-CD2 4.36Å; L86-Y94 HydrophobicContact CD2-CG 4.14Å; P89-Y94 WeakPolarHBondContact CA-OH 3.39Å; P89-Y94 HydrophobicContact CB-CE2 3.63Å; K90-Y94 PolarHBondContact N-OH 3.45Å; Y91-Y94 AromaticContact CD2-CE1 3.74Å; Y91-Y94 HydrophobicContact CD2-CE1 3.74Å; Y91-Y94 HydrophobicContact CD2-CE2 4.48Å; Y91-Y94 AromaticContact CD2-CZ 3.58Å; Y91-Y94 WeakPolarHBondContact CD2-OH 3.49Å; Y91-Y94 HydrophobicContact CE2-CE1 4.49Å; Y91-Y94 PolarHBondContact N-OH 3.12Å; Y91-Y94 VanDerWaalsContact N-OH 3.09Å; Y94-V118 HydrophobicContact CD2-CB 3.98Å; Y94-V118 HydrophobicContact CD2-CG2 3.53Å; Y94-V118 HydrophobicContact CE2-CB 4.4Å; Y94-V118 HydrophobicContact CE2-CG2 3.84Å; Y94-V118 PolarHBondContact N-O 2.86Å; Y94-A120 PolarHBondContact O-N 2.67Å
95F98.6Very high97.1Very high21 Ų2143 Ų439%0.09221%0.209CC..EExtended strand (participates in β ladder)trans-109.6110.9168-62.1-97.1000107.5K67 A68 C70 V93 Y97 A120 E121K67-F95 HydrophobicContact CD-CE2 4.4Å; A68-F95 PolarHBondContact O-N 2.8Å; C70-F95 PolarHBondContact N-O 2.91Å; V93-F95 HydrophobicContact CG1-CE2 3.95Å; V93-F95 HydrophobicContact CG2-CE2 3.97Å; V93-F95 HydrophobicContact CG2-CZ 4.36Å; F95-Y97 HydrophobicContact CB-CD2 4.47Å; F95-Y97 HydrophobicContact CB-CE2 3.62Å; F95-A120 HydrophobicContact CD1-CB 4.31Å; F95-A120 HydrophobicContact CE1-CB 3.9Å; F95-A120 HydrophobicContact CE2-CB 4.49Å; F95-A120 HydrophobicContact CZ-CB 3.98Å; F95-E121 HydrophobicContact CD1-CB 3.83Å; F95-E121 HydrophobicContact CE1-CB 4.45Å
96I98.6Very high97.1Very high0 Ų044.6 Ų44.60%022%0.216CC..EExtended strand (participates in β ladder)trans-102.9121.1-170.6-58.5168.8000110C70 L82 L86 F98 V119 E121 V122 Q123C70-I96 HydrophobicContact CB-CG1 4.37Å; L82-I96 HydrophobicContact CD1-CD1 4.49Å; L82-I96 HydrophobicContact CD2-CD1 3.97Å; L82-I96 HydrophobicContact CD2-CG1 4.32Å; L82-I96 HydrophobicContact CD2-CG2 3.72Å; L82-I96 HydrophobicContact CG-CD1 4.46Å; L86-I96 HydrophobicContact CD1-CD1 4.29Å; I96-F98 HydrophobicContact CG2-CD2 4.16Å; I96-F98 HydrophobicContact CG2-CE2 3.5Å; I96-F98 VanDerWaalsContact CG2-CE2 3.5Å; I96-F98 HydrophobicContact CG2-CZ 3.73Å; I96-V119 HydrophobicContact CD1-CB 4.46Å; I96-V119 HydrophobicContact CD1-CG1 3.81Å; I96-V119 HydrophobicContact CD1-CG2 3.72Å; I96-V119 HydrophobicContact CG1-CG1 4.44Å; I96-E121 PolarHBondContact N-O 2.86Å; I96-V122 HydrophobicContact CB-CG1 4.43Å; I96-V122 HydrophobicContact CB-CG2 4.32Å; I96-V122 HydrophobicContact CD1-CG2 4.45Å; I96-V122 HydrophobicContact CG2-CG1 4.37Å; I96-V122 CarbonylContact O-C 3.52Å; I96-V122 VanDerWaalsContact O-CA 3.26Å; I96-V122 WeakPolarHBondContact O-CA 3.49Å; I96-Q123 PolarHBondContact O-N 2.86Å
97Y98.6Very high97.1Very high0 Ų047.5 Ų47.50%023%0.232CC..EExtended strand (participates in β ladder)trans-121.4122.8178.5-59.6-86.4000110.1M14 N17 I69 C70 F71 L72 F95 E121 Q123 F125M14-Y97 HydrophobicContact CB-CD2 3.97Å; M14-Y97 HydrophobicContact CB-CE1 4.3Å; M14-Y97 HydrophobicContact CB-CE2 3.73Å; M14-Y97 HydrophobicContact CB-CG 4.35Å; M14-Y97 HydrophobicContact CE-CG 4.49Å; M14-Y97 HydrophobicContact CG-CD1 3.75Å; M14-Y97 HydrophobicContact CG-CD2 3.76Å; M14-Y97 HydrophobicContact CG-CE1 3.95Å; M14-Y97 HydrophobicContact CG-CE2 3.96Å; M14-Y97 HydrophobicContact CG-CG 3.66Å; M14-Y97 PolarHBondContact O-OH 2.97Å; M14-Y97 HydrophobicContact SD-CD2 4.07Å; M14-Y97 HydrophobicContact SD-CG 3.95Å; N17-Y97 VanDerWaalsContact CB-OH 3.31Å; N17-Y97 WeakPolarHBondContact CB-OH 3.48Å; I69-Y97 HydrophobicContact CG2-CD2 3.94Å; I69-Y97 HydrophobicContact CG2-CE2 3.96Å; C70-Y97 WeakPolarHBondContact O-CA 3.19Å; C70-Y97 WeakPolarHBondContact O-CB 3.47Å; C70-Y97 PolarHBondContact O-N 2.69Å; F71-Y97 WeakPolarHBondContact CA-O 3.32Å; L72-Y97 PolarHBondContact N-O 3.06Å; F95-Y97 HydrophobicContact CB-CD2 4.47Å; F95-Y97 HydrophobicContact CB-CE2 3.62Å; Y97-E121 PolarHBondContact OH-OE2 2.94Å; Y97-Q123 CarbonylContact C-O 3.59Å; Y97-Q123 VanDerWaalsContact CA-O 3.29Å; Y97-Q123 WeakPolarHBondContact CA-O 3.41Å; Y97-Q123 HydrophobicContact CD1-CB 3.81Å; Y97-Q123 HydrophobicContact CE1-CB 3.94Å; Y97-Q123 HydrophobicContact CE1-CG 4.32Å; Y97-F125 HydrophobicContact CD1-CD1 4.42Å; Y97-F125 AromaticContact CD1-CD2 3.95Å; Y97-F125 HydrophobicContact CD1-CD2 3.95Å; Y97-F125 HydrophobicContact CD1-CE1 4.37Å; Y97-F125 AromaticContact CD1-CE2 3.86Å; Y97-F125 HydrophobicContact CD1-CE2 3.86Å; Y97-F125 HydrophobicContact CD1-CG 4.2Å; Y97-F125 HydrophobicContact CD1-CZ 4.06Å; Y97-F125 HydrophobicContact CE1-CD2 4.4Å; Y97-F125 HydrophobicContact CE1-CE1 4.39Å; Y97-F125 AromaticContact CE1-CE2 3.83Å; Y97-F125 HydrophobicContact CE1-CE2 3.83Å; Y97-F125 AromaticContact CE1-CZ 3.81Å; Y97-F125 HydrophobicContact CE1-CZ 3.81Å
98F98.6Very high97.1Very high0 Ų047.5 Ų47.50%024%0.235CC..EExtended strand (participates in β ladder)trans-96.4137.8173.4-69.6-72.8000111.4L72 P74 V79 L82 I96 N100 I102 L110 V122 Q123 E124 F125L72-F98 HydrophobicContact CB-CD1 4.45Å; L72-F98 HydrophobicContact CB-CE1 4.43Å; L72-F98 CarbonylContact O-C 3.47Å; L72-F98 WeakPolarHBondContact O-CA 3.49Å; P74-F98 HydrophobicContact CB-CB 4.4Å; P74-F98 HydrophobicContact CB-CD1 3.81Å; P74-F98 HydrophobicContact CB-CE1 4.46Å; P74-F98 HydrophobicContact CB-CG 4.26Å; V79-F98 HydrophobicContact CG2-CE1 4.5Å; L82-F98 HydrophobicContact CD2-CZ 3.92Å; I96-F98 HydrophobicContact CG2-CD2 4.16Å; I96-F98 HydrophobicContact CG2-CE2 3.5Å; I96-F98 VanDerWaalsContact CG2-CE2 3.5Å; I96-F98 HydrophobicContact CG2-CZ 3.73Å; F98-N100 WeakPolarHBondContact CB-O 3.39Å; F98-N100 PolarHBondContact O-N 3.05Å; F98-I102 HydrophobicContact CD1-CD1 4.17Å; F98-I102 HydrophobicContact CD2-CB 4.2Å; F98-I102 HydrophobicContact CD2-CD1 3.69Å; F98-I102 HydrophobicContact CD2-CG2 3.93Å; F98-I102 HydrophobicContact CE1-CD1 3.81Å; F98-I102 HydrophobicContact CE2-CD1 3.29Å; F98-I102 HydrophobicContact CE2-CG2 4.44Å; F98-I102 HydrophobicContact CG-CB 4.34Å; F98-I102 HydrophobicContact CG-CD1 4.11Å; F98-I102 HydrophobicContact CG-CG2 4.46Å; F98-I102 HydrophobicContact CZ-CD1 3.36Å; F98-L110 HydrophobicContact CE2-CD1 4.06Å; F98-L110 HydrophobicContact CZ-CD1 3.81Å; F98-V122 HydrophobicContact CD2-CG1 4.28Å; F98-V122 HydrophobicContact CE2-CG1 4.08Å; F98-Q123 PolarHBondContact N-O 2.67Å; F98-E124 CarbonylContact O-C 3.5Å; F98-F125 PolarHBondContact O-N 2.76Å
99S97.9Very high97.3Very high0 Ų039 Ų390%021%0.21CC..SBendtrans-70.1-13.6179.774.50000114L72 R73 F125 Y126 D128L72-S99 PolarHBondContact O-N 3.48Å; R73-S99 WeakPolarHBondContact CA-OG 3.13Å; R73-S99 WeakPolarHBondContact CG-OG 3.42Å; S99-F125 CarbonylContact C-O 3.52Å; S99-F125 VanDerWaalsContact C-O 3.29Å; S99-F125 WeakPolarHBondContact CA-O 3.37Å; S99-Y126 WeakPolarHBondContact O-CA 3.26Å; S99-D128 PolarHBondContact OG-OD1 2.9Å
100N96.9Very high97.3Very high9 Ų939.1 Ų39.15%0.04821%0.21CC..SBendtrans-152.2179.5-176.2-141.7-56.2000110.3P74 F98 I102 D128 Q174P74-N100 HydrophobicContact CG-CB 3.91Å; F98-N100 WeakPolarHBondContact CB-O 3.39Å; F98-N100 PolarHBondContact O-N 3.05Å; N100-I102 PolarHBondContact O-N 3.22Å; N100-D128 PolarHBondContact ND2-OD2 2.98Å; N100-Q174 WeakPolarHBondContact ND2-CB 3.26Å; N100-Q174 PolarHBondContact ND2-O 2.92Å
101V94.8Very high97.3Very high50 Ų5040.5 Ų40.530%0.30323%0.229SC..  trans-60.5133179.1-177.20000111.1P74 E124 Y126 L215P74-V101 WeakPolarHBondContact CG-O 3.37Å; V101-E124 WeakPolarHBondContact CA-OE1 3.43Å; V101-Y126 HydrophobicContact CG2-CE1 3.88Å; V101-L215 HydrophobicContact CG2-CD1 4.34Å
102I95.7Very high97.4Very high15 Ų1546.6 Ų46.68%0.07726%0.257CS..  trans-111.1145.8176.1-175.8166.5000111.3P74 V79 F98 N100 E106 I107 L110 E124P74-I102 HydrophobicContact CB-CB 4Å; P74-I102 HydrophobicContact CB-CD1 4.47Å; P74-I102 HydrophobicContact CB-CG1 4.23Å; V79-I102 HydrophobicContact CG2-CD1 4.29Å; F98-I102 HydrophobicContact CD1-CD1 4.17Å; F98-I102 HydrophobicContact CD2-CB 4.2Å; F98-I102 HydrophobicContact CD2-CD1 3.69Å; F98-I102 HydrophobicContact CD2-CG2 3.93Å; F98-I102 HydrophobicContact CE1-CD1 3.81Å; F98-I102 HydrophobicContact CE2-CD1 3.29Å; F98-I102 HydrophobicContact CE2-CG2 4.44Å; F98-I102 HydrophobicContact CG-CB 4.34Å; F98-I102 HydrophobicContact CG-CD1 4.11Å; F98-I102 HydrophobicContact CG-CG2 4.46Å; F98-I102 HydrophobicContact CZ-CD1 3.36Å; N100-I102 PolarHBondContact O-N 3.22Å; I102-E106 HydrophobicContact CD1-CB 3.9Å; I102-E106 HydrophobicContact CG1-CB 3.79Å; I102-I107 HydrophobicContact CD1-CD1 4.04Å; I102-I107 HydrophobicContact CD1-CG1 4.47Å; I102-I107 HydrophobicContact CG1-CD1 4.38Å; I102-I107 HydrophobicContact CG1-CG1 4.39Å; I102-I107 HydrophobicContact CG2-CD1 3.66Å; I102-I107 HydrophobicContact CG2-CG1 3.94Å; I102-L110 HydrophobicContact CD1-CD1 4.25Å; I102-E124 HydrophobicContact CG2-CG 4.36Å; I102-E124 PolarHBondContact N-OE1 3.45Å
103S95.3Very high97.4Very high45 Ų4544.2 Ų44.232%0.31524%0.241SC..  trans-75.4148-179.572.50000112.5S105 E106 I107S103-S105 PolarHBondContact O-N 3.24Å; S103-S105 PolarHBondContact OG-OG 3.43Å; S103-E106 VanDerWaalsContact CB-OE2 3.32Å; S103-E106 WeakPolarHBondContact CB-OE2 3.39Å; S103-E106 PolarHBondContact N-OE2 3.03Å; S103-E106 PolarHBondContact O-N 3.49Å; S103-E106 WeakPolarHBondContact OG-CB 3.46Å; S103-E106 WeakPolarHBondContact OG-CG 3.42Å; S103-E106 PolarHBondContact OG-N 3.24Å; S103-E106 PolarHBondContact OG-OE2 3.25Å; S103-I107 PolarHBondContact O-N 3.03Å
104K95.7Very high97.4Very high193 Ų19343.7 Ų43.784%0.83924%0.237SC*.Hα-helixtrans-57.3-32174.5-64.8-175.4179.9-178.40112.9K108K104-K108 WeakPolarHBondContact O-CB 3.24Å; K104-K108 PolarHBondContact O-N 3.45Å
105S97.3Very high97.3Very high86 Ų8651.4 Ų51.460%0.60127%0.273SS*.Hα-helixtrans-66.6-39.7175.241.60000112.7S103 K108 A109S103-S105 PolarHBondContact O-N 3.24Å; S103-S105 PolarHBondContact OG-OG 3.43Å; S105-K108 PolarHBondContact O-N 2.95Å; S105-A109 PolarHBondContact O-N 2.97Å
106E97.3Very high97.3Very high39 Ų3955.5 Ų55.518%0.18229%0.293CS..Hα-helixtrans-70.7-39.1177.1-71.1160.4145.600110.8V79 I102 S103 K108 A109 L110V79-E106 HydrophobicContact CG1-CB 4.21Å; V79-E106 HydrophobicContact CG1-CG 4.27Å; V79-E106 HydrophobicContact CG2-CB 4.39Å; V79-E106 HydrophobicContact CG2-CG 4.38Å; I102-E106 HydrophobicContact CD1-CB 3.9Å; I102-E106 HydrophobicContact CG1-CB 3.79Å; S103-E106 VanDerWaalsContact CB-OE2 3.32Å; S103-E106 WeakPolarHBondContact CB-OE2 3.39Å; S103-E106 PolarHBondContact N-OE2 3.03Å; S103-E106 PolarHBondContact O-N 3.49Å; S103-E106 WeakPolarHBondContact OG-CB 3.46Å; S103-E106 WeakPolarHBondContact OG-CG 3.42Å; S103-E106 PolarHBondContact OG-N 3.24Å; S103-E106 PolarHBondContact OG-OE2 3.25Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 PolarHBondContact O-N 3.46Å; E106-A109 PolarHBondContact O-N 2.95Å; E106-L110 WeakPolarHBondContact O-CG 3.35Å; E106-L110 PolarHBondContact O-N 3.48Å
107I97.5Very high97.2Very high63 Ų6363.9 Ų63.932%0.32333%0.332SS..Hα-helixtrans-58.2-45.5171.6-65.9-65.9000111.2I102 S103 A109 L110 A111 V122I102-I107 HydrophobicContact CD1-CD1 4.04Å; I102-I107 HydrophobicContact CD1-CG1 4.47Å; I102-I107 HydrophobicContact CG1-CD1 4.38Å; I102-I107 HydrophobicContact CG1-CG1 4.39Å; I102-I107 HydrophobicContact CG2-CD1 3.66Å; I102-I107 HydrophobicContact CG2-CG1 3.94Å; S103-I107 PolarHBondContact O-N 3.03Å; I107-A109 VanDerWaalsContact C-N 3.33Å; I107-A109 PolarHBondContact O-N 3.45Å; I107-L110 PolarHBondContact O-N 2.94Å; I107-A111 PolarHBondContact O-N 3.15Å; I107-V122 HydrophobicContact CD1-CG1 3.82Å
108K97.6Very high97.2Very high135 Ų13564.7 Ų64.759%0.58734%0.337SS*.Hα-helixtrans-60.8-42.8176.8-175178.4176.5-171.10111.8K104 S105 E106 L110 A111 E112K104-K108 WeakPolarHBondContact O-CB 3.24Å; K104-K108 PolarHBondContact O-N 3.45Å; S105-K108 PolarHBondContact O-N 2.95Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 PolarHBondContact O-N 3.46Å; K108-L110 VanDerWaalsContact C-N 3.31Å; K108-L110 PolarHBondContact O-N 3.43Å; K108-A111 PolarHBondContact O-N 3.47Å; K108-E112 WeakPolarHBondContact CE-OE1 3.43Å; K108-E112 IonicContact NZ-OE1 3.87Å; K108-E112 WeakPolarHBondContact O-CG 3.38Å; K108-E112 PolarHBondContact O-N 2.78Å
109A97.8Very high97.2Very high31 Ų3166.6 Ų66.626%0.25635%0.348SS..Hα-helixtrans-64.6-33.9177.700000112.9I83 S105 E106 I107 A113I83-A109 HydrophobicContact CD1-CB 3.98Å; S105-A109 PolarHBondContact O-N 2.97Å; E106-A109 PolarHBondContact O-N 2.95Å; I107-A109 VanDerWaalsContact C-N 3.33Å; I107-A109 PolarHBondContact O-N 3.45Å; A109-A113 WeakPolarHBondContact O-CB 3.37Å; A109-A113 PolarHBondContact O-N 3.22Å
110L98Very high97.2Very high9 Ų969.5 Ų69.55%0.04737%0.372CS..Hα-helixtrans-68.5-42.8172.8-68.7169.4000111.6L82 I83 L86 F98 I102 E106 I107 K108 E112 A113 D114L82-L110 HydrophobicContact CB-CD2 3.99Å; L82-L110 HydrophobicContact CD2-CD1 4.18Å; L82-L110 HydrophobicContact CD2-CD2 3.74Å; L82-L110 HydrophobicContact CG-CD2 3.79Å; I83-L110 HydrophobicContact CG1-CD2 3.8Å; L86-L110 HydrophobicContact CD1-CB 4.42Å; L86-L110 HydrophobicContact CD1-CD2 4.06Å; F98-L110 HydrophobicContact CE2-CD1 4.06Å; F98-L110 HydrophobicContact CZ-CD1 3.81Å; I102-L110 HydrophobicContact CD1-CD1 4.25Å; E106-L110 WeakPolarHBondContact O-CG 3.35Å; E106-L110 PolarHBondContact O-N 3.48Å; I107-L110 PolarHBondContact O-N 2.94Å; K108-L110 VanDerWaalsContact C-N 3.31Å; K108-L110 PolarHBondContact O-N 3.43Å; L110-E112 PolarHBondContact O-N 2.96Å; L110-A113 WeakPolarHBondContact O-CB 3.35Å; L110-A113 PolarHBondContact O-N 3.26Å; L110-A113 VanDerWaalsContact O-N 3.11Å; L110-D114 PolarHBondContact O-N 3.02Å; L110-D114 VanDerWaalsContact O-N 3.17Å
111A97.6Very high97.1Very high70 Ų7071.5 Ų71.558%0.57938%0.381SS*.Hα-helixtrans-62.4-41176.900000112.2I107 K108 A113 D114I107-A111 PolarHBondContact O-N 3.15Å; K108-A111 PolarHBondContact O-N 3.47Å; A111-A113 PolarHBondContact O-N 3.29Å; A111-D114 PolarHBondContact O-N 3.17Å
112E97.8Very high97.3Very high128 Ų12872.2 Ų72.260%0.59839%0.386SS*.Hα-helixtrans-65.4-25.5174.4-72.3173.5-176.400113K108 L110K108-E112 WeakPolarHBondContact CE-OE1 3.43Å; K108-E112 IonicContact NZ-OE1 3.87Å; K108-E112 WeakPolarHBondContact O-CG 3.38Å; K108-E112 PolarHBondContact O-N 2.78Å; L110-E112 PolarHBondContact O-N 2.96Å
113A97.8Very high97.4Very high2 Ų274.4 Ų74.42%0.01740%0.395CS..Hα-helixtrans-84.7-20.1179.800000113.6I83 L86 R87 A109 L110 A111 E115I83-A113 HydrophobicContact CB-CB 4.29Å; I83-A113 HydrophobicContact CG1-CB 4.3Å; I83-A113 HydrophobicContact CG2-CB 3.87Å; L86-A113 CarbonylContact C-O 3.57Å; L86-A113 HydrophobicContact CB-CB 4.28Å; R87-A113 HydrophobicContact CG-CB 4.3Å; A109-A113 WeakPolarHBondContact O-CB 3.37Å; A109-A113 PolarHBondContact O-N 3.22Å; L110-A113 WeakPolarHBondContact O-CB 3.35Å; L110-A113 PolarHBondContact O-N 3.26Å; L110-A113 VanDerWaalsContact O-N 3.11Å; A111-A113 PolarHBondContact O-N 3.29Å; A113-E115 VanDerWaalsContact C-N 3.26Å; A113-E115 PolarHBondContact O-N 3.27Å; A113-E115 VanDerWaalsContact O-N 3.11Å
114D98Very high97.5Very high22 Ų2274.9 Ų74.912%0.11839%0.393CS..  trans-85.958.2-178.3-169.925000112.3L86 L110 A111 Q116 E117 V118 V119L86-D114 HydrophobicContact CD1-CB 4.44Å; L110-D114 PolarHBondContact O-N 3.02Å; L110-D114 VanDerWaalsContact O-N 3.17Å; A111-D114 PolarHBondContact O-N 3.17Å; D114-Q116 PolarHBondContact O-N 3.11Å; D114-Q116 VanDerWaalsContact O-N 3.12Å; D114-E117 PolarHBondContact O-N 3.12Å; D114-E117 VanDerWaalsContact O-N 3.13Å; D114-E117 PolarHBondContact OD1-N 3.13Å; D114-E117 WeakPolarHBondContact OD2-CA 3.35Å; D114-V118 VanDerWaalsContact OD1-CG2 3.26Å; D114-V118 WeakPolarHBondContact OD1-CG2 3.48Å; D114-V118 PolarHBondContact OD1-N 3.37Å; D114-V118 PolarHBondContact OD2-N 3.11Å; D114-V119 HydrophobicContact CB-CG2 4.21Å; D114-V119 VanDerWaalsContact OD2-CB 3.24Å; D114-V119 WeakPolarHBondContact OD2-CB 3.48Å; D114-V119 VanDerWaalsContact OD2-CG2 3.28Å; D114-V119 WeakPolarHBondContact OD2-CG2 3.42Å; D114-V119 PolarHBondContact OD2-N 2.64Å
115E96.8Very high97.5Very high161 Ų16166.6 Ų66.675%0.75236%0.357SS*.THydrogen-bonded Turntrans-62.6-18.7179.3-65.5178.1-172.800113.2A113A113-E115 VanDerWaalsContact C-N 3.26Å; A113-E115 PolarHBondContact O-N 3.27Å; A113-E115 VanDerWaalsContact O-N 3.11Å
116Q96.9Very high97.5Very high108 Ų10863.5 Ų63.551%0.50533%0.332SS..THydrogen-bonded Turntrans-993-179-62-177.127.400113P89 D114 V118P89-Q116 HydrophobicContact CG-CB 4.33Å; P89-Q116 HydrophobicContact CG-CG 4.4Å; D114-Q116 PolarHBondContact O-N 3.11Å; D114-Q116 VanDerWaalsContact O-N 3.12Å; Q116-V118 HydrophobicContact CB-CG1 3.93Å; Q116-V118 PolarHBondContact O-N 3.35Å
117E97.6Very high97.4Very high176 Ų17661.7 Ų61.782%0.82232%0.324SS*.  trans52.140.7178.4-56.1-176.6139.600112.9D114D114-E117 PolarHBondContact O-N 3.12Å; D114-E117 VanDerWaalsContact O-N 3.13Å; D114-E117 PolarHBondContact OD1-N 3.13Å; D114-E117 WeakPolarHBondContact OD2-CA 3.35Å
118V98Very high97.4Very high17 Ų1758.7 Ų58.710%0.10331%0.309CS..  trans-89.3-11.1-177.1-63.10000112.9L86 P89 V93 Y94 D114 Q116 A120L86-V118 HydrophobicContact CD2-CG2 4.13Å; P89-V118 HydrophobicContact CB-CG1 4.45Å; P89-V118 HydrophobicContact CB-CG2 3.88Å; P89-V118 HydrophobicContact CG-CG1 4.19Å; P89-V118 HydrophobicContact CG-CG2 4.16Å; V93-V118 CarbonylContact C-O 3.5Å; V93-V118 VanDerWaalsContact CA-O 3.3Å; V93-V118 WeakPolarHBondContact CA-O 3.48Å; Y94-V118 HydrophobicContact CD2-CB 3.98Å; Y94-V118 HydrophobicContact CD2-CG2 3.53Å; Y94-V118 HydrophobicContact CE2-CB 4.4Å; Y94-V118 HydrophobicContact CE2-CG2 3.84Å; Y94-V118 PolarHBondContact N-O 2.86Å; D114-V118 VanDerWaalsContact OD1-CG2 3.26Å; D114-V118 WeakPolarHBondContact OD1-CG2 3.48Å; D114-V118 PolarHBondContact OD1-N 3.37Å; D114-V118 PolarHBondContact OD2-N 3.11Å; Q116-V118 HydrophobicContact CB-CG1 3.93Å; Q116-V118 PolarHBondContact O-N 3.35Å; V118-A120 PolarHBondContact O-N 2.81Å
119V98.4Very high97.4Very high39 Ų3952.4 Ų52.424%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-79.9114.3177.8179.70000110L86 I96 D114 V122L86-V119 HydrophobicContact CD1-CG2 3.87Å; L86-V119 HydrophobicContact CD2-CG2 3.53Å; L86-V119 HydrophobicContact CG-CG2 4.35Å; I96-V119 HydrophobicContact CD1-CB 4.46Å; I96-V119 HydrophobicContact CD1-CG1 3.81Å; I96-V119 HydrophobicContact CD1-CG2 3.72Å; I96-V119 HydrophobicContact CG1-CG1 4.44Å; D114-V119 HydrophobicContact CB-CG2 4.21Å; D114-V119 VanDerWaalsContact OD2-CB 3.24Å; D114-V119 WeakPolarHBondContact OD2-CB 3.48Å; D114-V119 VanDerWaalsContact OD2-CG2 3.28Å; D114-V119 WeakPolarHBondContact OD2-CG2 3.42Å; D114-V119 PolarHBondContact OD2-N 2.64Å; V119-V122 HydrophobicContact CG1-CG2 3.75Å
120A97.6Very high97.4Very high62 Ų6251.3 Ų51.351%0.51227%0.271SS..EExtended strand (participates in β ladder)trans-85.9-33176.300000112.7V93 Y94 F95 V118V93-A120 HydrophobicContact CG2-CB 3.46Å; V93-A120 VanDerWaalsContact CG2-CB 3.46Å; Y94-A120 PolarHBondContact O-N 2.67Å; F95-A120 HydrophobicContact CD1-CB 4.31Å; F95-A120 HydrophobicContact CE1-CB 3.9Å; F95-A120 HydrophobicContact CE2-CB 4.49Å; F95-A120 HydrophobicContact CZ-CB 3.98Å; V118-A120 PolarHBondContact O-N 2.81Å
121E96.6Very high97.4Very high51 Ų5151 Ų5124%0.23827%0.269CS..EExtended strand (participates in β ladder)trans-156.1143.3-170.6-174.7162.5-141.900111.9F95 I96 Y97 Q123F95-E121 HydrophobicContact CD1-CB 3.83Å; F95-E121 HydrophobicContact CE1-CB 4.45Å; I96-E121 PolarHBondContact N-O 2.86Å; Y97-E121 PolarHBondContact OH-OE2 2.94Å; E121-Q123 HydrophobicContact CG-CG 3.9Å; E121-Q123 PolarHBondContact OE1-NE2 3.4Å
122V97.9Very high97.2Very high65 Ų6548.4 Ų48.439%0.39425%0.246SC..EExtended strand (participates in β ladder)trans-130.8121.1170.3-170.30000109.3I96 F98 I107 V119I96-V122 HydrophobicContact CB-CG1 4.43Å; I96-V122 HydrophobicContact CB-CG2 4.32Å; I96-V122 HydrophobicContact CD1-CG2 4.45Å; I96-V122 HydrophobicContact CG2-CG1 4.37Å; I96-V122 CarbonylContact O-C 3.52Å; I96-V122 VanDerWaalsContact O-CA 3.26Å; I96-V122 WeakPolarHBondContact O-CA 3.49Å; F98-V122 HydrophobicContact CD2-CG1 4.28Å; F98-V122 HydrophobicContact CE2-CG1 4.08Å; I107-V122 HydrophobicContact CD1-CG1 3.82Å; V119-V122 HydrophobicContact CG1-CG2 3.75Å
123Q97.5Very high97Very high60 Ų6042.5 Ų42.528%0.2822%0.219SC..EExtended strand (participates in β ladder)trans-136.9158.4178.9-66.8-165.81.500112.7I96 Y97 F98 E121 F125I96-Q123 PolarHBondContact O-N 2.86Å; Y97-Q123 CarbonylContact C-O 3.59Å; Y97-Q123 VanDerWaalsContact CA-O 3.29Å; Y97-Q123 WeakPolarHBondContact CA-O 3.41Å; Y97-Q123 HydrophobicContact CD1-CB 3.81Å; Y97-Q123 HydrophobicContact CE1-CB 3.94Å; Y97-Q123 HydrophobicContact CE1-CG 4.32Å; F98-Q123 PolarHBondContact N-O 2.67Å; E121-Q123 HydrophobicContact CG-CG 3.9Å; E121-Q123 PolarHBondContact OE1-NE2 3.4Å; Q123-F125 HydrophobicContact CB-CE1 4.29Å; Q123-F125 VanDerWaalsContact OE1-CZ 3.27Å
124E96.9Very high96.9Very high56 Ų5644.5 Ų44.526%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-105.7114.1173-61.6-178.9166.300109.9F98 V101 I102 Y126F98-E124 CarbonylContact O-C 3.5Å; V101-E124 WeakPolarHBondContact CA-OE1 3.43Å; I102-E124 HydrophobicContact CG2-CG 4.36Å; I102-E124 PolarHBondContact N-OE1 3.45Å; E124-Y126 HydrophobicContact CB-CE1 4.25Å; E124-Y126 PolarHBondContact OE2-OH 2.85Å
125F96.4Very high96.9Very high18 Ų1844.4 Ų44.48%0.07923%0.23CC..  trans-112.4112.9173.7-79.34.6000109.7Y10 K13 M14 Y97 F98 S99 Q123 G127Y10-F125 HydrophobicContact CD1-CB 3.72Å; Y10-F125 AromaticContact CD1-CD1 3.87Å; Y10-F125 HydrophobicContact CD1-CD1 3.87Å; Y10-F125 AromaticContact CD1-CD2 3.7Å; Y10-F125 HydrophobicContact CD1-CD2 3.7Å; Y10-F125 HydrophobicContact CD1-CE1 4.44Å; Y10-F125 HydrophobicContact CD1-CE2 4.32Å; Y10-F125 AromaticContact CD1-CG 3.49Å; Y10-F125 HydrophobicContact CD1-CG 3.49Å; Y10-F125 VanDerWaalsContact CD1-CG 3.49Å; Y10-F125 HydrophobicContact CE1-CB 4.23Å; Y10-F125 HydrophobicContact CE1-CD1 4.15Å; Y10-F125 HydrophobicContact CE1-CG 4.13Å; Y10-F125 HydrophobicContact CG-CB 4.01Å; Y10-F125 HydrophobicContact CG-CD2 4.14Å; Y10-F125 HydrophobicContact CG-CG 4.13Å; Y10-F125 WeakPolarHBondContact O-CD2 3.38Å; Y10-F125 WeakPolarHBondContact O-CE2 3.45Å; K13-F125 HydrophobicContact CB-CE2 3.93Å; K13-F125 HydrophobicContact CB-CZ 4.09Å; K13-F125 HydrophobicContact CG-CE2 4.14Å; K13-F125 HydrophobicContact CG-CZ 3.78Å; M14-F125 HydrophobicContact CB-CE2 4.31Å; M14-F125 HydrophobicContact CE-CB 3.85Å; M14-F125 HydrophobicContact CE-CD2 3.42Å; M14-F125 VanDerWaalsContact CE-CD2 3.42Å; M14-F125 HydrophobicContact CE-CE2 4.38Å; M14-F125 HydrophobicContact CE-CG 4.09Å; M14-F125 HydrophobicContact CG-CD2 3.4Å; M14-F125 HydrophobicContact CG-CE2 3.36Å; M14-F125 HydrophobicContact SD-CD2 4.24Å; Y97-F125 HydrophobicContact CD1-CD1 4.42Å; Y97-F125 AromaticContact CD1-CD2 3.95Å; Y97-F125 HydrophobicContact CD1-CD2 3.95Å; Y97-F125 HydrophobicContact CD1-CE1 4.37Å; Y97-F125 AromaticContact CD1-CE2 3.86Å; Y97-F125 HydrophobicContact CD1-CE2 3.86Å; Y97-F125 HydrophobicContact CD1-CG 4.2Å; Y97-F125 HydrophobicContact CD1-CZ 4.06Å; Y97-F125 HydrophobicContact CE1-CD2 4.4Å; Y97-F125 HydrophobicContact CE1-CE1 4.39Å; Y97-F125 AromaticContact CE1-CE2 3.83Å; Y97-F125 HydrophobicContact CE1-CE2 3.83Å; Y97-F125 AromaticContact CE1-CZ 3.81Å; Y97-F125 HydrophobicContact CE1-CZ 3.81Å; F98-F125 PolarHBondContact O-N 2.76Å; S99-F125 CarbonylContact C-O 3.52Å; S99-F125 VanDerWaalsContact C-O 3.29Å; S99-F125 WeakPolarHBondContact CA-O 3.37Å; Q123-F125 HydrophobicContact CB-CE1 4.29Å; Q123-F125 VanDerWaalsContact OE1-CZ 3.27Å; F125-G127 PolarHBondContact O-N 2.96Å
126Y97.1Very high96.9Very high22 Ų2236.8 Ų36.89%0.08620%0.195CC..  trans-75.356.2-172.1-54.9-69.6000113.9S99 V101 E124 S178 L181 L215S99-Y126 WeakPolarHBondContact O-CA 3.26Å; V101-Y126 HydrophobicContact CG2-CE1 3.88Å; E124-Y126 HydrophobicContact CB-CE1 4.25Å; E124-Y126 PolarHBondContact OE2-OH 2.85Å; Y126-S178 PolarHBondContact O-OG 3.49Å; Y126-L181 HydrophobicContact CD1-CB 4.48Å; Y126-L181 HydrophobicContact CD1-CD1 3.42Å; Y126-L181 VanDerWaalsContact CD1-CD1 3.42Å; Y126-L181 HydrophobicContact CD2-CB 3.64Å; Y126-L181 HydrophobicContact CD2-CD1 3.69Å; Y126-L181 HydrophobicContact CD2-CG 4.22Å; Y126-L181 HydrophobicContact CE1-CD1 3.58Å; Y126-L181 HydrophobicContact CE2-CB 4.38Å; Y126-L181 HydrophobicContact CE2-CD1 3.8Å; Y126-L181 HydrophobicContact CG-CB 3.7Å; Y126-L181 HydrophobicContact CG-CD1 3.5Å; Y126-L181 VanDerWaalsContact CG-CD1 3.5Å; Y126-L181 HydrophobicContact CG-CG 4.24Å; Y126-L215 WeakPolarHBondContact OH-CD1 3.42Å
127G95.3Very high97Very high1 Ų131.7 Ų31.71%0.0117%0.171CC..  trans-105.456.1173.200000112.6I34 F125 F129I34-G127 WeakPolarHBondContact CD1-O 3.4Å; F125-G127 PolarHBondContact O-N 2.96Å; G127-F129 VanDerWaalsContact C-N 3.33Å; G127-F129 PolarHBondContact O-N 2.75Å
128D97.8Very high97Very high0 Ų023.6 Ų23.60%013%0.134CC..  trans-94.232.3-174.6-154.635.1000114.1R73 S99 N100 R171 S178R73-D128 WeakPolarHBondContact CD-OD1 3.14Å; R73-D128 IonicContact CZ-OD1 2.69Å; R73-D128 IonicContact CZ-OD2 3.91Å; R73-D128 IonicContact NE-OD1 3.64Å; R73-D128 PolarHBondContact NE-OD1 3.49Å; R73-D128 IonicContact NE-OD2 2.96Å; R73-D128 PolarHBondContact NE-OD2 2.98Å; R73-D128 IonicContact NH2-OD1 2.74Å; R73-D128 IonicContact NH2-OD2 3.11Å; R73-D128 PolarHBondContact NH2-OD2 3.38Å; S99-D128 PolarHBondContact OG-OD1 2.9Å; N100-D128 PolarHBondContact ND2-OD2 2.98Å; D128-R171 PolarHBondContact O-NH1 2.96Å; D128-R171 PolarHBondContact O-NH2 3.25Å; D128-R171 VanDerWaalsContact O-NH2 3.16Å; D128-R171 IonicContact OD1-NH2 2.87Å; D128-R171 IonicContact OD2-CZ 2.62Å; D128-R171 IonicContact OD2-NH1 3.09Å; D128-R171 PolarHBondContact OD2-NH1 3.41Å; D128-R171 IonicContact OD2-NH2 3.4Å; D128-S178 WeakPolarHBondContact CB-OG 3.31Å; D128-S178 PolarHBondContact N-OG 2.9Å
129F98.3Very high97Very high2 Ų223 Ų231%0.00913%0.13CC..SBendtrans-151.8156.8-174.661.2-89.2000111.9V3 V7 G127 A131 F137 L139 V179 A182V3-F129 HydrophobicContact CB-CE2 3.92Å; V3-F129 HydrophobicContact CG1-CE2 4.33Å; V7-F129 HydrophobicContact CG2-CD2 4.33Å; V7-F129 HydrophobicContact CG2-CE1 4.34Å; V7-F129 HydrophobicContact CG2-CE2 3.5Å; V7-F129 VanDerWaalsContact CG2-CE2 3.5Å; V7-F129 HydrophobicContact CG2-CZ 3.52Å; G127-F129 VanDerWaalsContact C-N 3.33Å; G127-F129 PolarHBondContact O-N 2.75Å; F129-A131 HydrophobicContact CD2-CB 4.47Å; F129-A131 HydrophobicContact CE2-CB 4.13Å; F129-F137 HydrophobicContact CB-CD2 4.23Å; F129-F137 HydrophobicContact CD2-CB 3.82Å; F129-F137 HydrophobicContact CD2-CG 4.38Å; F129-F137 HydrophobicContact CE2-CB 4.46Å; F129-L139 HydrophobicContact CB-CD2 3.81Å; F129-V179 HydrophobicContact CB-CG2 3.95Å; F129-V179 HydrophobicContact CD1-CB 4.2Å; F129-V179 HydrophobicContact CD1-CG2 3.27Å; F129-V179 HydrophobicContact CD2-CG2 4.06Å; F129-V179 HydrophobicContact CE1-CB 4.16Å; F129-V179 HydrophobicContact CE1-CG2 3.69Å; F129-V179 HydrophobicContact CE2-CG2 4.41Å; F129-V179 HydrophobicContact CG-CG2 3.47Å; F129-V179 VanDerWaalsContact CG-CG2 3.47Å; F129-V179 HydrophobicContact CZ-CG2 4.24Å; F129-A182 HydrophobicContact CE1-CB 3.88Å; F129-A182 HydrophobicContact CZ-CB 3.98Å
130I97.8Very high96.9Very high9 Ų924.7 Ų24.75%0.04614%0.138CC..EExtended strand (participates in β ladder)trans-89.5114.3177-50.3-60.3000109.6I34 V37 V132 F137 S138 N140I34-I130 HydrophobicContact CB-CD1 4.3Å; I34-I130 HydrophobicContact CG1-CD1 3.62Å; V37-I130 HydrophobicContact CB-CG2 4.14Å; V37-I130 HydrophobicContact CG1-CG2 4.09Å; V37-I130 HydrophobicContact CG2-CG2 3.71Å; I130-V132 HydrophobicContact CG2-CG2 4.04Å; I130-V132 PolarHBondContact O-N 3.47Å; I130-F137 CarbonylContact O-C 3.13Å; I130-F137 WeakPolarHBondContact O-CA 3.17Å; I130-F137 WeakPolarHBondContact O-CB 3.21Å; I130-S138 WeakPolarHBondContact CB-O 3.42Å; I130-S138 PolarHBondContact N-O 3.26Å; I130-S138 PolarHBondContact O-N 2.66Å; I130-N140 HydrophobicContact CG1-CB 4.15Å
131A96.6Very high96.8Very high1 Ų122.6 Ų22.61%0.00812%0.118CC..EExtended strand (participates in β ladder)trans-8680.5178.900000111.7V3 V7 V37 V38 F129V3-A131 HydrophobicContact CB-CB 4.27Å; V3-A131 HydrophobicContact CG2-CB 4.12Å; V7-A131 HydrophobicContact CG2-CB 4.06Å; V37-A131 VanDerWaalsContact CG1-O 3.3Å; V37-A131 WeakPolarHBondContact CG1-O 3.4Å; V38-A131 HydrophobicContact CG1-CB 4.08Å; F129-A131 HydrophobicContact CD2-CB 4.47Å; F129-A131 HydrophobicContact CE2-CB 4.13Å
132V94.3Very high96.7Very high16 Ų1625.1 Ų25.110%0.09713%0.13CC..EExtended strand (participates in β ladder)trans-62.2-52.2-172.2179.30000112.2I130 V136 Y526 I551I130-V132 HydrophobicContact CG2-CG2 4.04Å; I130-V132 PolarHBondContact O-N 3.47Å; V132-V136 HydrophobicContact CB-CG1 4.33Å; V132-V136 PolarHBondContact N-O 2.81Å; V132-Y526 HydrophobicContact CG1-CE1 3.96Å; V132-Y526 WeakPolarHBondContact CG1-OH 3.39Å; V132-I551 HydrophobicContact CB-CD1 4.14Å; V132-I551 HydrophobicContact CG1-CD1 4.05Å; V132-I551 HydrophobicContact CG2-CD1 3.72Å
133N94.1Very high96.5Very high5 Ų522.7 Ų22.73%0.02712%0.119CC..EExtended strand (participates in β ladder)trans-134.5166.9174.3-65.7-22.3000108.4V3 T4 H135 V136 Q247 Y291V3-N133 WeakPolarHBondContact CG2-O 3.19Å; T4-N133 VanDerWaalsContact OG1-C 3.27Å; T4-N133 PolarHBondContact OG1-O 3.48Å; N133-H135 PolarHBondContact O-N 2.9Å; N133-V136 HydrophobicContact CB-CB 4.06Å; N133-V136 HydrophobicContact CB-CG2 4.14Å; N133-V136 PolarHBondContact N-O 3.07Å; N133-V136 VanDerWaalsContact N-O 3.17Å; N133-V136 PolarHBondContact O-N 2.79Å; N133-Q247 PolarHBondContact ND2-NE2 3.42Å; N133-Q247 PolarHBondContact ND2-OE1 2.86Å; N133-Q247 PolarHBondContact OD1-NE2 2.99Å; N133-Y291 PolarHBondContact ND2-OH 2.88Å
134P95.6Very high96.4Very high43 Ų4319.9 Ų19.928%0.27911%0.105SC..THydrogen-bonded Turntrans-51.5-29.6179-33.838.8000115.8N2 V3N2-P134 VanDerWaalsContact CA-O 3.3Å; N2-P134 WeakPolarHBondContact CA-O 3.28Å; V3-P134 WeakPolarHBondContact CG2-O 3.27Å; V3-P134 PolarHBondContact N-O 3.47Å
135H97.1Very high96.1Very high20 Ų2017.3 Ų17.39%0.0939%0.094CC..THydrogen-bonded Turntrans-114.210.4-178.560.7-78.2000113.2N133 Y291 A529 V532 Y533 V545 L546N133-H135 PolarHBondContact O-N 2.9Å; H135-Y291 AromaticContact CE1-CE2 3.96Å; H135-Y291 AromaticContact CE1-CZ 3.91Å; H135-Y291 PolarHBondContact CE1-OH 2.8Å; H135-Y291 AromaticContact NE2-CZ 3.86Å; H135-Y291 PolarHBondContact NE2-OH 2.79Å; H135-A529 PolarHBondContact NE2-O 2.99Å; H135-V532 HydrophobicContact CB-CG1 4.48Å; H135-Y533 AromaticContact CE1-CD2 3.9Å; H135-V545 WeakPolarHBondContact O-CA 3.46Å; H135-L546 PolarHBondContact O-N 3.05Å
136V97.8Very high95.8Very high2 Ų220.3 Ų20.31%0.01211%0.105CC..EExtended strand (participates in β ladder)trans-136.3129.1-176.5-174.30000111.1V132 N133 A529 L546 I551V132-V136 HydrophobicContact CB-CG1 4.33Å; V132-V136 PolarHBondContact N-O 2.81Å; N133-V136 HydrophobicContact CB-CB 4.06Å; N133-V136 HydrophobicContact CB-CG2 4.14Å; N133-V136 PolarHBondContact N-O 3.07Å; N133-V136 VanDerWaalsContact N-O 3.17Å; N133-V136 PolarHBondContact O-N 2.79Å; V136-A529 HydrophobicContact CG2-CB 3.59Å; V136-L546 CarbonylContact C-O 3.53Å; V136-L546 VanDerWaalsContact CA-O 3.24Å; V136-L546 WeakPolarHBondContact CA-O 3.43Å; V136-I551 HydrophobicContact CG1-CD1 3.8Å
137F98.4Very high95.4Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-128.2162169.672.2-87.5000112.9V3 F129 I130 L139 L176 V179 M517 F519 V545 L546 G547V3-F137 HydrophobicContact CG1-CD1 4.33Å; V3-F137 HydrophobicContact CG2-CB 4.37Å; F129-F137 HydrophobicContact CB-CD2 4.23Å; F129-F137 HydrophobicContact CD2-CB 3.82Å; F129-F137 HydrophobicContact CD2-CG 4.38Å; F129-F137 HydrophobicContact CE2-CB 4.46Å; I130-F137 CarbonylContact O-C 3.13Å; I130-F137 WeakPolarHBondContact O-CA 3.17Å; I130-F137 WeakPolarHBondContact O-CB 3.21Å; F137-L139 HydrophobicContact CD2-CD2 4.34Å; F137-L139 HydrophobicContact CE2-CD2 4.26Å; F137-L176 HydrophobicContact CZ-CD1 4.05Å; F137-V179 HydrophobicContact CD1-CG1 4.17Å; F137-V179 HydrophobicContact CD1-CG2 4.45Å; F137-V179 HydrophobicContact CD2-CG2 3.8Å; F137-V179 HydrophobicContact CE1-CG1 3.92Å; F137-V179 HydrophobicContact CE1-CG2 4.31Å; F137-V179 HydrophobicContact CE2-CG2 3.66Å; F137-V179 HydrophobicContact CG-CG2 4.2Å; F137-V179 HydrophobicContact CZ-CB 4.41Å; F137-V179 HydrophobicContact CZ-CG1 4.18Å; F137-V179 HydrophobicContact CZ-CG2 3.91Å; F137-M517 HydrophobicContact CE1-CG 4.47Å; F137-F519 HydrophobicContact CE2-CD2 4.05Å; F137-F519 HydrophobicContact CE2-CE2 4.2Å; F137-F519 HydrophobicContact CZ-CD2 4Å; F137-V545 HydrophobicContact CD1-CG1 3.6Å; F137-V545 HydrophobicContact CE1-CG1 3.81Å; F137-L546 VanDerWaalsContact CD1-O 3.29Å; F137-L546 WeakPolarHBondContact CD1-O 3.36Å; F137-L546 PolarHBondContact N-O 3.31Å; F137-G547 WeakPolarHBondContact O-CA 3.43Å
138S98.3Very high94.7Very high7 Ų727 Ų275%0.04913%0.129CC..EExtended strand (participates in β ladder)trans-135.4143.8175.2179.40000109.8I130 N140I130-S138 WeakPolarHBondContact CB-O 3.42Å; I130-S138 PolarHBondContact N-O 3.26Å; I130-S138 PolarHBondContact O-N 2.66Å; S138-N140 VanDerWaalsContact C-N 3.29Å; S138-N140 PolarHBondContact OG-N 3.24Å
139L98.3Very high93.5Very high4 Ų432 Ų322%0.02116%0.16CC..  trans-85.5-7.3168.7-56.5-172.9000112.6F129 F137 L141 C172 F519 G548 S549F129-L139 HydrophobicContact CB-CD2 3.81Å; F137-L139 HydrophobicContact CD2-CD2 4.34Å; F137-L139 HydrophobicContact CE2-CD2 4.26Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 HydrophobicContact CB-CD1 3.63Å; L139-L141 HydrophobicContact CB-CG 3.74Å; L139-L141 HydrophobicContact CD1-CD1 4.01Å; L139-L141 WeakPolarHBondContact O-CG 3.44Å; L139-L141 PolarHBondContact O-N 2.92Å; L139-C172 HydrophobicContact CD1-CB 4.26Å; L139-F519 HydrophobicContact CD1-CE2 3.76Å; L139-F519 HydrophobicContact CD1-CZ 3.76Å; L139-F519 HydrophobicContact CG-CE2 4.06Å; L139-F519 HydrophobicContact CG-CZ 4.44Å; L139-G548 PolarHBondContact N-O 2.95Å; L139-G548 VanDerWaalsContact N-O 3.11Å; L139-S549 CarbonylContact C-O 3.29Å; L139-S549 PolarHBondContact N-O 2.93Å
140N96.1Very high91.9Very high74 Ų7435.7 Ų35.740%0.39618%0.18SC..  trans55.241.3-176.2-154.317.6000113.8I130 S138 S549I130-N140 HydrophobicContact CG1-CB 4.15Å; S138-N140 VanDerWaalsContact C-N 3.29Å; S138-N140 PolarHBondContact OG-N 3.24Å; N140-S549 PolarHBondContact N-O 3Å
141L95.9Very high89.5Confident18 Ų1843.7 Ų43.79%0.09422%0.217CC..  trans-113.1125.1-178.4-52.9172.3000110.5L139 V144 M168 R171 S549 A550L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 HydrophobicContact CB-CD1 3.63Å; L139-L141 HydrophobicContact CB-CG 3.74Å; L139-L141 HydrophobicContact CD1-CD1 4.01Å; L139-L141 WeakPolarHBondContact O-CG 3.44Å; L139-L141 PolarHBondContact O-N 2.92Å; L141-V144 HydrophobicContact CB-CG1 3.88Å; L141-M168 HydrophobicContact CD2-SD 4.46Å; L141-R171 HydrophobicContact CD1-CB 4.27Å; L141-R171 HydrophobicContact CD1-CG 3.47Å; L141-R171 VanDerWaalsContact CD1-CG 3.47Å; L141-R171 HydrophobicContact CD2-CG 3.65Å; L141-R171 HydrophobicContact CG-CG 4.18Å; L141-S549 PolarHBondContact N-O 3.38Å; L141-S549 CarbonylContact O-C 3.52Å; L141-A550 WeakPolarHBondContact O-CB 3.48Å
142Q93.2Very high87.2Confident104 Ų10448.4 Ų48.449%0.48625%0.246SC..  trans-114.3157.4170.9-64.4-179.4-10.900109.6A550Q142-A550 HydrophobicContact CG-CB 4.48Å
143G93.7Very high84.8Confident15 Ų1555.5 Ų55.516%0.15528%0.282CS..  trans67.838.8-177.400000112.5S145 E560G143-S145 PolarHBondContact O-N 2.94Å; G143-E560 WeakPolarHBondContact CA-OE2 3.41Å; G143-E560 PolarHBondContact N-OE2 2.7Å
144V95Very high82.4Confident0 Ų058.9 Ų58.90%031%0.306CS..  trans-73.4-19.3-177.9-62.40000112.9L141 W164 E165 M168 I521 S522 E560L141-V144 HydrophobicContact CB-CG1 3.88Å; V144-W164 HydrophobicContact CB-CZ3 4.09Å; V144-E165 PolarHBondContact O-N 3.07Å; V144-M168 HydrophobicContact CB-CB 4.26Å; V144-M168 HydrophobicContact CG1-CB 4.32Å; V144-I521 HydrophobicContact CG2-CG2 4.3Å; V144-S522 VanDerWaalsContact CG2-OG 3.32Å; V144-S522 WeakPolarHBondContact CG2-OG 3.49Å; V144-E560 WeakPolarHBondContact CG2-OE1 3.35Å; V144-E560 PolarHBondContact N-OE1 2.86Å
145S92.2Very high79.9Confident3 Ų361 Ų612%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-119.4150.6177.267.60000111.6G143 T163 A564G143-S145 PolarHBondContact O-N 2.94Å; S145-T163 WeakPolarHBondContact CA-O 3.14Å; S145-A564 WeakPolarHBondContact OG-CB 3.32Å
146R89.9Confident77.4Confident81 Ų8170.8 Ų70.831%0.30637%0.372SS..EExtended strand (participates in β ladder)trans-130.2162.9171.663.6166.4-179104.5-4.4110.3R148 T163 E165 A564R146-R148 PolarHBondContact O-N 2.82Å; R146-T163 HydrophobicContact CG-CG2 3.82Å; R146-T163 PolarHBondContact N-O 3.48Å; R146-T163 PolarHBondContact O-N 3.15Å; R146-E165 VanDerWaalsContact CD-OE2 3.27Å; R146-E165 WeakPolarHBondContact CD-OE2 3.26Å; R146-A564 CarbonylContact C-O 3.35Å
147R87.3Confident74.7Confident92 Ų9278.7 Ų78.735%0.34741%0.414SS..EExtended strand (participates in β ladder)trans-64132.4172.6-170.8175.9-177.6162.1-2.8109.7T149 P160 A564 T565R147-T149 PolarHBondContact O-N 3.02Å; R147-P160 HydrophobicContact CG-CB 4.18Å; R147-A564 WeakPolarHBondContact CA-O 3.4Å; R147-A564 PolarHBondContact N-O 3.45Å; R147-T565 WeakPolarHBondContact CD-O 3.4Å; R147-T565 PolarHBondContact NH1-O 2.85Å
148R81.8Confident72.1Confident70 Ų7085.6 Ų85.626%0.26445%0.446SS..  trans-70120.4172-165.8-176.9-72.9-159.27108.4R146 D150 G161 T163 D196R146-R148 PolarHBondContact O-N 2.82Å; R148-D150 WeakPolarHBondContact CG-OD1 3.45Å; R148-G161 WeakPolarHBondContact CB-O 3.45Å; R148-G161 PolarHBondContact N-O 3.39Å; R148-T163 HydrophobicContact CB-CG2 4.48Å; R148-D196 IonicContact NH2-OD2 2.71Å; R148-D196 PolarHBondContact NH2-OD2 2.91Å
149T72.3Confident69.8Low107 Ų10790.6 Ų90.666%0.65647%0.467SS*.  trans-111.6-10.9-177.750.60000112.8R147 Q151R147-T149 PolarHBondContact O-N 3.02Å; T149-Q151 PolarHBondContact O-N 2.99Å
150D64.8Low68Low78 Ų7893.4 Ų93.442%0.41749%0.485SS..  trans-70.1111.8176.446.7-57.5000110.5R148 V152R148-D150 WeakPolarHBondContact CG-OD1 3.45Å; D150-V152 HydrophobicContact CB-CG2 4.19Å; D150-V152 PolarHBondContact O-N 3.16Å
151Q47.8Very low67Low178 Ų17891 Ų9183%0.83248%0.478SS*.  trans-72.348.5171.8-65.9-169.20.600111.8T149 L153T149-Q151 PolarHBondContact O-N 2.99Å; Q151-L153 PolarHBondContact O-N 2.69Å
152V47.7Very low66.6Low100 Ų10091.8 Ų91.861%0.60648%0.48SS*.  trans-74.6106.4174.4-174.40000107.9D150 S154D150-V152 HydrophobicContact CB-CG2 4.19Å; D150-V152 PolarHBondContact O-N 3.16Å; V152-S154 PolarHBondContact O-N 3Å; V152-S154 PolarHBondContact O-OG 3.43Å
153L43.8Very low66.6Low164 Ų16487.5 Ų87.586%0.85946%0.461SS*.  trans-41.362.8171.1-68.3154.8000113.9Q151Q151-L153 PolarHBondContact O-N 2.69Å
154S44.4Very low66.6Low77 Ų7787.3 Ų87.354%0.53846%0.455SS..  trans-91.7107169.5-48.90000104.9V152 R156V152-S154 PolarHBondContact O-N 3Å; V152-S154 PolarHBondContact O-OG 3.43Å; S154-R156 PolarHBondContact O-N 2.91Å
155G42.8Very low66.5Low86 Ų8690.7 Ų90.789%0.88747%0.471SS*.SBendtrans-64.343.5-170.900000116.7
156R44.3Very low66.2Low227 Ų22795 Ų9586%0.85750%0.499SS*.SBendtrans-123.6125168.8-67.6-174.3178.4-170.9-0.3108.3S154 H158S154-R156 PolarHBondContact O-N 2.91Å; R156-H158 PolarHBondContact O-N 2.87Å
157N40.4Very low66.3Low168 Ų16894.5 Ų94.590%0.89851%0.508SS*.  trans-21.5117.8-177.3-68.7-19.8000115.6F159N157-F159 PolarHBondContact O-N 3.34Å
158H44.6Very low66.7Low145 Ų14591.9 Ų91.967%0.67150%0.5SS*.  trans-66.4105.6-169.6-78.147.6000113.3R156R156-H158 PolarHBondContact O-N 2.87Å
159F50.5Low67.4Low112 Ų11290.1 Ų90.149%0.49150%0.496SS..  trans-118.3132149.4-111.4-102.2000107.5N157 G161N157-F159 PolarHBondContact O-N 3.34Å; F159-G161 PolarHBondContact O-N 3.19Å; F159-G161 VanDerWaalsContact O-N 3.08Å
160P60.1Low68.6Low62 Ų6288.1 Ų88.140%0.40349%0.486SS..  trans-67112.2179.324.2-27.9000109.2R147R147-P160 HydrophobicContact CG-CB 4.18Å
161G74.6Confident70.1Confident24 Ų2485 Ų8525%0.24747%0.468CS..  trans-69.7-178176.600000112.9R148 F159R148-G161 WeakPolarHBondContact CB-O 3.45Å; R148-G161 PolarHBondContact N-O 3.39Å; F159-G161 PolarHBondContact O-N 3.19Å; F159-G161 VanDerWaalsContact O-N 3.08Å
162R88.5Confident72.5Confident34 Ų3476.6 Ų76.613%0.12843%0.429CS..EExtended strand (participates in β ladder)trans-97.7155170.9-64.9-177.6-62127.216.6110.6M197 D231 S233 Y443R162-M197 HydrophobicContact CB-SD 4.2Å; R162-D231 IonicContact CZ-OD1 2.71Å; R162-D231 IonicContact NH1-OD1 2.71Å; R162-D231 PolarHBondContact NH1-OD1 3.04Å; R162-D231 IonicContact NH2-OD1 3.36Å; R162-D231 PolarHBondContact NH2-OD1 2.97Å; R162-D231 IonicContact NH2-OD2 2.95Å; R162-D231 PolarHBondContact NH2-OD2 3.35Å; R162-D231 VanDerWaalsContact NH2-OD2 3.07Å; R162-S233 PolarHBondContact NH2-OG 3.37Å; R162-Y443 VanDerWaalsContact NH1-CE2 3.27Å; R162-Y443 PolarHBondContact NH1-OH 3.12Å
163T91.6Very high74.9Confident15 Ų1572.3 Ų72.39%0.09240%0.403CS..EExtended strand (participates in β ladder)trans-143.2160.4171-1740000110.1S145 R146 R148 E165S145-T163 WeakPolarHBondContact CA-O 3.14Å; R146-T163 HydrophobicContact CG-CG2 3.82Å; R146-T163 PolarHBondContact N-O 3.48Å; R146-T163 PolarHBondContact O-N 3.15Å; R148-T163 HydrophobicContact CB-CG2 4.48Å; T163-E165 PolarHBondContact O-N 3.41Å
164W94.1Very high77.5Confident10 Ų1067.7 Ų67.74%0.03838%0.377CS..EExtended strand (participates in β ladder)trans-55.6136.8171.4-75.1100.7000111.6V144 M168 L169 C172 M197 L201 I521V144-W164 HydrophobicContact CB-CZ3 4.09Å; W164-M168 HydrophobicContact CE3-CB 4.39Å; W164-L169 HydrophobicContact CB-CB 4.08Å; W164-L169 HydrophobicContact CD2-CB 3.79Å; W164-L169 HydrophobicContact CD2-CD1 3.97Å; W164-L169 HydrophobicContact CD2-CG 4.39Å; W164-L169 HydrophobicContact CE3-CB 3.93Å; W164-L169 HydrophobicContact CG-CB 3.87Å; W164-L169 HydrophobicContact CG-CD1 4.3Å; W164-L169 HydrophobicContact CG-CD2 4.41Å; W164-L169 HydrophobicContact CG-CG 4.42Å; W164-L169 HydrophobicContact CZ2-CD1 4.11Å; W164-C172 HydrophobicContact CH2-CB 4.09Å; W164-C172 HydrophobicContact CZ3-CB 4.14Å; W164-M197 HydrophobicContact CB-CE 4.44Å; W164-M197 HydrophobicContact CD2-CE 3.55Å; W164-M197 HydrophobicContact CE3-CE 3.86Å; W164-M197 HydrophobicContact CG-CE 3.82Å; W164-M197 HydrophobicContact CG-CG 4.36Å; W164-M197 HydrophobicContact CH2-CE 4.48Å; W164-M197 HydrophobicContact CZ2-CB 4.28Å; W164-M197 HydrophobicContact CZ2-CE 4.19Å; W164-M197 HydrophobicContact CZ3-CE 4.32Å; W164-M197 VanDerWaalsContact NE1-CA 3.26Å; W164-M197 PolarHBondContact NE1-O 2.72Å; W164-L201 HydrophobicContact CH2-CD2 4.2Å; W164-L201 HydrophobicContact CZ2-CB 3.83Å; W164-L201 HydrophobicContact CZ2-CD2 4.15Å; W164-L201 HydrophobicContact CZ2-CG 4.42Å; W164-I521 HydrophobicContact CH2-CD1 4.27Å; W164-I521 HydrophobicContact CH2-CG1 4.08Å; W164-I521 HydrophobicContact CH2-CG2 3.89Å; W164-I521 HydrophobicContact CZ2-CD1 3.71Å; W164-I521 HydrophobicContact CZ2-CG1 4.03Å; W164-I521 HydrophobicContact CZ2-CG2 4.07Å
165E92.6Very high80.1Confident72 Ų7264 Ų6434%0.33635%0.352SS..  trans-65.5129.9157.2-177.358.5-152.700108.3V144 R146 T163 S167 M168 L169V144-E165 PolarHBondContact O-N 3.07Å; R146-E165 VanDerWaalsContact CD-OE2 3.27Å; R146-E165 WeakPolarHBondContact CD-OE2 3.26Å; T163-E165 PolarHBondContact O-N 3.41Å; E165-S167 VanDerWaalsContact C-N 3.34Å; E165-S167 PolarHBondContact O-N 3.21Å; E165-S167 VanDerWaalsContact O-N 3.16Å; E165-M168 HydrophobicContact CB-CB 4.04Å; E165-M168 HydrophobicContact CB-CG 3.79Å; E165-M168 HydrophobicContact CG-CG 3.98Å; E165-M168 PolarHBondContact O-N 2.87Å; E165-L169 PolarHBondContact O-N 2.97Å
166P85.8Confident82.7Confident92 Ų9259.9 Ų59.960%0.59731%0.309SS*.Hα-helixtrans-54.5-41.3-165-30.637.3000115.5
167S92.1Very high85.3Confident71 Ų7149.3 Ų49.350%0.49727%0.27SS..Hα-helixtrans-76.5-24.6178.856.70000113.2E165 R171E165-S167 VanDerWaalsContact C-N 3.34Å; E165-S167 PolarHBondContact O-N 3.21Å; E165-S167 VanDerWaalsContact O-N 3.16Å; S167-R171 PolarHBondContact O-N 3.42Å; S167-R171 VanDerWaalsContact O-N 3.15Å
168M96Very high88Confident38 Ų3841.3 Ų41.319%0.18723%0.227CC..Hα-helixtrans-77.6-31-172.4-66-63.3105.100113.2L141 V144 W164 E165 R171 C172L141-M168 HydrophobicContact CD2-SD 4.46Å; V144-M168 HydrophobicContact CB-CB 4.26Å; V144-M168 HydrophobicContact CG1-CB 4.32Å; W164-M168 HydrophobicContact CE3-CB 4.39Å; E165-M168 HydrophobicContact CB-CB 4.04Å; E165-M168 HydrophobicContact CB-CG 3.79Å; E165-M168 HydrophobicContact CG-CG 3.98Å; E165-M168 PolarHBondContact O-N 2.87Å; M168-R171 PolarHBondContact O-N 2.83Å; M168-C172 WeakPolarHBondContact O-CB 3.49Å; M168-C172 PolarHBondContact O-N 2.94Å; M168-C172 PolarHBondContact O-SG 3.3Å
169L97Very high90.6Very high32 Ų3234.4 Ų34.417%0.16820%0.195CC..Hα-helixtrans-60.8-47172.9174.258.1000111.1W164 E165 C172 T173 R200 L201W164-L169 HydrophobicContact CB-CB 4.08Å; W164-L169 HydrophobicContact CD2-CB 3.79Å; W164-L169 HydrophobicContact CD2-CD1 3.97Å; W164-L169 HydrophobicContact CD2-CG 4.39Å; W164-L169 HydrophobicContact CE3-CB 3.93Å; W164-L169 HydrophobicContact CG-CB 3.87Å; W164-L169 HydrophobicContact CG-CD1 4.3Å; W164-L169 HydrophobicContact CG-CD2 4.41Å; W164-L169 HydrophobicContact CG-CG 4.42Å; W164-L169 HydrophobicContact CZ2-CD1 4.11Å; E165-L169 PolarHBondContact O-N 2.97Å; L169-C172 PolarHBondContact O-N 3.45Å; L169-T173 WeakPolarHBondContact O-CB 3.31Å; L169-T173 PolarHBondContact O-N 3.42Å; L169-T173 PolarHBondContact O-OG1 3.4Å; L169-R200 HydrophobicContact CD2-CB 4.49Å; L169-L201 HydrophobicContact CD1-CB 4.19Å; L169-L201 HydrophobicContact CD1-CD1 4.04Å
170S96.4Very high92.9Very high65 Ų6529.1 Ų29.146%0.45517%0.172SC..Hα-helixtrans-61.5-47.3177.3-177.80000110.9C172 T173 Q174S170-C172 PolarHBondContact O-N 3.2Å; S170-T173 WeakPolarHBondContact O-CB 3.46Å; S170-T173 PolarHBondContact O-N 3.05Å; S170-Q174 WeakPolarHBondContact O-CG 3.45Å; S170-Q174 PolarHBondContact O-N 3.05Å
171R97.5Very high94.7Very high13 Ų1326.6 Ų26.65%0.04916%0.155CC..Hα-helixtrans-61.5-40.3178.417862.3-17198.4-12.9113.1E30 R73 D128 L141 S167 M168 G175E30-R171 IonicContact OE2-CZ 2.97Å; E30-R171 IonicContact OE2-NE 3.92Å; E30-R171 PolarHBondContact OE2-NE 3.14Å; E30-R171 IonicContact OE2-NH2 3.61Å; E30-R171 PolarHBondContact OE2-NH2 3.33Å; R73-R171 VanDerWaalsContact CZ-CD 3.48Å; D128-R171 PolarHBondContact O-NH1 2.96Å; D128-R171 PolarHBondContact O-NH2 3.25Å; D128-R171 VanDerWaalsContact O-NH2 3.16Å; D128-R171 IonicContact OD1-NH2 2.87Å; D128-R171 IonicContact OD2-CZ 2.62Å; D128-R171 IonicContact OD2-NH1 3.09Å; D128-R171 PolarHBondContact OD2-NH1 3.41Å; D128-R171 IonicContact OD2-NH2 3.4Å; L141-R171 HydrophobicContact CD1-CB 4.27Å; L141-R171 HydrophobicContact CD1-CG 3.47Å; L141-R171 VanDerWaalsContact CD1-CG 3.47Å; L141-R171 HydrophobicContact CD2-CG 3.65Å; L141-R171 HydrophobicContact CG-CG 4.18Å; S167-R171 PolarHBondContact O-N 3.42Å; S167-R171 VanDerWaalsContact O-N 3.15Å; M168-R171 PolarHBondContact O-N 2.83Å; R171-G175 PolarHBondContact O-N 2.77Å
172C98.3Very high95.8Very high1 Ų126 Ų261%0.00715%0.148CC..Hα-helixtrans-67-41.2175.4-70.20000111.6L139 W164 M168 L169 S170 G175 L176 L201 F519L139-C172 HydrophobicContact CD1-CB 4.26Å; W164-C172 HydrophobicContact CH2-CB 4.09Å; W164-C172 HydrophobicContact CZ3-CB 4.14Å; M168-C172 WeakPolarHBondContact O-CB 3.49Å; M168-C172 PolarHBondContact O-N 2.94Å; M168-C172 PolarHBondContact O-SG 3.3Å; L169-C172 PolarHBondContact O-N 3.45Å; S170-C172 PolarHBondContact O-N 3.2Å; C172-G175 PolarHBondContact O-N 2.94Å; C172-L176 WeakPolarHBondContact O-CB 3.49Å; C172-L176 PolarHBondContact O-N 3.19Å; C172-L201 HydrophobicContact CB-CD1 4.01Å; C172-F519 HydrophobicContact CB-CZ 4.45Å
173T98.3Very high96.2Very high10 Ų1025.4 Ų25.46%0.06115%0.147CC..Hα-helixtrans-60.4-47.2176.1-57.20000110.9L169 S170 T177 S204 V205 I208L169-T173 WeakPolarHBondContact O-CB 3.31Å; L169-T173 PolarHBondContact O-N 3.42Å; L169-T173 PolarHBondContact O-OG1 3.4Å; S170-T173 WeakPolarHBondContact O-CB 3.46Å; S170-T173 PolarHBondContact O-N 3.05Å; T173-T177 VanDerWaalsContact O-CB 3.26Å; T173-T177 WeakPolarHBondContact O-CB 3.46Å; T173-T177 PolarHBondContact O-N 3.1Å; T173-T177 PolarHBondContact O-OG1 3.49Å; T173-S204 WeakPolarHBondContact OG1-CB 3.35Å; T173-V205 HydrophobicContact CG2-CG2 4.13Å; T173-I208 HydrophobicContact CG2-CG1 3.78Å
174Q97.9Very high96.4Very high67 Ų6731.8 Ų31.831%0.31317%0.174SC..Hα-helixtrans-58.1-50.2175.9-75.9173.4-17.100112N100 S170 S178N100-Q174 WeakPolarHBondContact ND2-CB 3.26Å; N100-Q174 PolarHBondContact ND2-O 2.92Å; S170-Q174 WeakPolarHBondContact O-CG 3.45Å; S170-Q174 PolarHBondContact O-N 3.05Å; Q174-S178 WeakPolarHBondContact O-CB 3.25Å; Q174-S178 PolarHBondContact O-N 2.91Å
175G98.1Very high96.5Very high0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-62.5-47-18000000112.3R171 C172 S178 V179R171-G175 PolarHBondContact O-N 2.77Å; C172-G175 PolarHBondContact O-N 2.94Å; G175-S178 WeakPolarHBondContact O-CB 3.29Å; G175-S178 PolarHBondContact O-N 3.18Å; G175-V179 WeakPolarHBondContact O-CG2 3.44Å; G175-V179 PolarHBondContact O-N 2.93Å
176L98.1Very high96.7Very high0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-67.2-40.8-179-168.755.7000112.3F137 C172 S178 V179 L180 L201 V205 L227 M517 F519F137-L176 HydrophobicContact CZ-CD1 4.05Å; C172-L176 WeakPolarHBondContact O-CB 3.49Å; C172-L176 PolarHBondContact O-N 3.19Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.38Å; L176-V179 PolarHBondContact O-N 2.9Å; L176-L180 WeakPolarHBondContact O-CG 2.85Å; L176-L180 PolarHBondContact O-N 2.88Å; L176-L201 HydrophobicContact CD2-CD2 4.39Å; L176-V205 HydrophobicContact CB-CG2 4.47Å; L176-V205 HydrophobicContact CD2-CG2 4.01Å; L176-V205 HydrophobicContact CG-CG2 4.48Å; L176-L227 HydrophobicContact CD1-CD1 4.16Å; L176-L227 HydrophobicContact CD2-CD1 4.14Å; L176-L227 HydrophobicContact CD2-CD2 3.83Å; L176-L227 HydrophobicContact CG-CD2 4.28Å; L176-M517 HydrophobicContact CD1-SD 3.64Å; L176-F519 HydrophobicContact CD1-CB 4.06Å; L176-F519 HydrophobicContact CD1-CD2 3.93Å; L176-F519 HydrophobicContact CD1-CG 4.13Å; L176-F519 HydrophobicContact CD2-CB 4.03Å; L176-F519 HydrophobicContact CD2-CD1 4.32Å; L176-F519 HydrophobicContact CD2-CD2 4.45Å; L176-F519 HydrophobicContact CD2-CG 4Å
177T98.2Very high97.2Very high4 Ų428 Ų283%0.02515%0.154CC..Hα-helixtrans-59.2-43.7172.5-56.60000110.6T173 V179 L180 L181 I208 F216T173-T177 VanDerWaalsContact O-CB 3.26Å; T173-T177 WeakPolarHBondContact O-CB 3.46Å; T173-T177 PolarHBondContact O-N 3.1Å; T173-T177 PolarHBondContact O-OG1 3.49Å; T177-V179 PolarHBondContact O-N 3.4Å; T177-L180 WeakPolarHBondContact O-CB 3.35Å; T177-L180 PolarHBondContact O-N 2.9Å; T177-L181 HydrophobicContact CG2-CD1 4.1Å; T177-L181 WeakPolarHBondContact O-CG 3.37Å; T177-L181 PolarHBondContact O-N 3.22Å; T177-I208 HydrophobicContact CG2-CB 4.49Å; T177-I208 HydrophobicContact CG2-CG2 3.53Å; T177-F216 HydrophobicContact CG2-CE2 4.07Å; T177-F216 HydrophobicContact CG2-CZ 3.67Å
178S98.3Very high97.4Very high0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-60.7-42.2177.1154.70000112.3Y126 D128 Q174 G175 L176 L180 L181 A182Y126-S178 PolarHBondContact O-OG 3.49Å; D128-S178 WeakPolarHBondContact CB-OG 3.31Å; D128-S178 PolarHBondContact N-OG 2.9Å; Q174-S178 WeakPolarHBondContact O-CB 3.25Å; Q174-S178 PolarHBondContact O-N 2.91Å; G175-S178 WeakPolarHBondContact O-CB 3.29Å; G175-S178 PolarHBondContact O-N 3.18Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.38Å; S178-L180 VanDerWaalsContact C-N 3.34Å; S178-L180 PolarHBondContact O-N 3.39Å; S178-L181 PolarHBondContact O-N 3.5Å; S178-A182 VanDerWaalsContact O-CB 3.32Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.45Å
179V98.4Very high97.5Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-62.8-41.9175.5-177.10000111.1V3 F129 F137 G175 L176 T177 L181 A182 L183 M517V3-V179 HydrophobicContact CG1-CG1 4.29Å; F129-V179 HydrophobicContact CB-CG2 3.95Å; F129-V179 HydrophobicContact CD1-CB 4.2Å; F129-V179 HydrophobicContact CD1-CG2 3.27Å; F129-V179 HydrophobicContact CD2-CG2 4.06Å; F129-V179 HydrophobicContact CE1-CB 4.16Å; F129-V179 HydrophobicContact CE1-CG2 3.69Å; F129-V179 HydrophobicContact CE2-CG2 4.41Å; F129-V179 HydrophobicContact CG-CG2 3.47Å; F129-V179 VanDerWaalsContact CG-CG2 3.47Å; F129-V179 HydrophobicContact CZ-CG2 4.24Å; F137-V179 HydrophobicContact CD1-CG1 4.17Å; F137-V179 HydrophobicContact CD1-CG2 4.45Å; F137-V179 HydrophobicContact CD2-CG2 3.8Å; F137-V179 HydrophobicContact CE1-CG1 3.92Å; F137-V179 HydrophobicContact CE1-CG2 4.31Å; F137-V179 HydrophobicContact CE2-CG2 3.66Å; F137-V179 HydrophobicContact CG-CG2 4.2Å; F137-V179 HydrophobicContact CZ-CB 4.41Å; F137-V179 HydrophobicContact CZ-CG1 4.18Å; F137-V179 HydrophobicContact CZ-CG2 3.91Å; G175-V179 WeakPolarHBondContact O-CG2 3.44Å; G175-V179 PolarHBondContact O-N 2.93Å; L176-V179 PolarHBondContact O-N 2.9Å; T177-V179 PolarHBondContact O-N 3.4Å; V179-L181 PolarHBondContact O-N 2.97Å; V179-A182 PolarHBondContact O-N 3.3Å; V179-L183 HydrophobicContact CG1-CD1 3.8Å; V179-L183 HydrophobicContact CG1-CG 4.38Å; V179-L183 WeakPolarHBondContact O-CB 3.45Å; V179-L183 WeakPolarHBondContact O-CG 3.41Å; V179-L183 PolarHBondContact O-N 2.73Å; V179-M517 HydrophobicContact CB-CE 4.29Å; V179-M517 HydrophobicContact CG1-CE 3.5Å; V179-M517 HydrophobicContact CG1-SD 4.11Å
180L98.3Very high97.5Very high2 Ų223.8 Ų23.81%0.0113%0.126CC..Hα-helixtrans-61.3-43.1177.6-69.3173.9000111.9L176 T177 S178 K184 K185 P187 V205 I209 F216 L227 M517L176-L180 WeakPolarHBondContact O-CG 2.85Å; L176-L180 PolarHBondContact O-N 2.88Å; T177-L180 WeakPolarHBondContact O-CB 3.35Å; T177-L180 PolarHBondContact O-N 2.9Å; S178-L180 VanDerWaalsContact C-N 3.34Å; S178-L180 PolarHBondContact O-N 3.39Å; L180-K184 PolarHBondContact O-N 3.02Å; L180-K185 HydrophobicContact CD2-CB 4.31Å; L180-K185 PolarHBondContact O-N 3.5Å; L180-P187 HydrophobicContact CD1-CG 3.83Å; L180-P187 HydrophobicContact CD2-CB 4.42Å; L180-P187 HydrophobicContact CD2-CG 3.68Å; L180-P187 HydrophobicContact CG-CG 4.42Å; L180-V205 HydrophobicContact CD1-CG1 4.04Å; L180-I209 HydrophobicContact CD1-CD1 4.23Å; L180-F216 HydrophobicContact CB-CE1 3.93Å; L180-L227 HydrophobicContact CD1-CD2 4.45Å; L180-M517 HydrophobicContact CD2-CE 3.58Å; L180-M517 HydrophobicContact CD2-SD 3.66Å; L180-M517 HydrophobicContact CG-CE 4.31Å; L180-M517 HydrophobicContact CG-SD 4.2Å
181L98Very high97.6Very high8 Ų821.7 Ų21.74%0.04211%0.108CC..Hα-helixtrans-66.7-45.2175.9-67.4171.3000111.6Y126 T177 S178 V179 L183 K184 L215 F216 F218Y126-L181 HydrophobicContact CD1-CB 4.48Å; Y126-L181 HydrophobicContact CD1-CD1 3.42Å; Y126-L181 VanDerWaalsContact CD1-CD1 3.42Å; Y126-L181 HydrophobicContact CD2-CB 3.64Å; Y126-L181 HydrophobicContact CD2-CD1 3.69Å; Y126-L181 HydrophobicContact CD2-CG 4.22Å; Y126-L181 HydrophobicContact CE1-CD1 3.58Å; Y126-L181 HydrophobicContact CE2-CB 4.38Å; Y126-L181 HydrophobicContact CE2-CD1 3.8Å; Y126-L181 HydrophobicContact CG-CB 3.7Å; Y126-L181 HydrophobicContact CG-CD1 3.5Å; Y126-L181 VanDerWaalsContact CG-CD1 3.5Å; Y126-L181 HydrophobicContact CG-CG 4.24Å; T177-L181 HydrophobicContact CG2-CD1 4.1Å; T177-L181 WeakPolarHBondContact O-CG 3.37Å; T177-L181 PolarHBondContact O-N 3.22Å; S178-L181 PolarHBondContact O-N 3.5Å; V179-L181 PolarHBondContact O-N 2.97Å; L181-L183 VanDerWaalsContact C-N 3.26Å; L181-L183 PolarHBondContact O-N 2.83Å; L181-K184 PolarHBondContact O-N 2.85Å; L181-L215 HydrophobicContact CD1-CD1 4.49Å; L181-L215 HydrophobicContact CD2-CB 3.87Å; L181-L215 WeakPolarHBondContact CD2-O 3.43Å; L181-F216 HydrophobicContact CD1-CE2 4.48Å; L181-F216 HydrophobicContact CD1-CZ 4.3Å; L181-F216 HydrophobicContact CD2-CD1 4.11Å; L181-F216 HydrophobicContact CD2-CD2 4.07Å; L181-F216 HydrophobicContact CD2-CE1 3.75Å; L181-F216 HydrophobicContact CD2-CE2 3.7Å; L181-F216 HydrophobicContact CD2-CG 4.26Å; L181-F216 HydrophobicContact CD2-CZ 3.52Å; L181-F216 HydrophobicContact CG-CE1 4.12Å; L181-F216 HydrophobicContact CG-CE2 4.2Å; L181-F216 HydrophobicContact CG-CZ 3.7Å; L181-F218 HydrophobicContact CD2-CZ 3.95Å
182A97.6Very high97.6Very high13 Ų1321.3 Ų21.311%0.10711%0.107CC..Hα-helixtrans-58-38.2177.400000112.8A6 Y10 F129 S178 V179A6-A182 HydrophobicContact CB-CB 4.11Å; Y10-A182 HydrophobicContact CE2-CB 3.8Å; F129-A182 HydrophobicContact CE1-CB 3.88Å; F129-A182 HydrophobicContact CZ-CB 3.98Å; S178-A182 VanDerWaalsContact O-CB 3.32Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.45Å; V179-A182 PolarHBondContact O-N 3.3Å
183L97.2Very high97.3Very high21 Ų2125.4 Ų25.411%0.1113%0.128CC..THydrogen-bonded Turntrans-89.7-2178.3-61.8176.5000113.3M1 V3 A6 V179 L181 K185 M517 V545M1-L183 HydrophobicContact CE-CD1 4.26Å; M1-L183 HydrophobicContact SD-CB 4.26Å; M1-L183 HydrophobicContact SD-CD1 3.62Å; M1-L183 HydrophobicContact SD-CG 4.38Å; V3-L183 HydrophobicContact CG1-CD1 3.88Å; V3-L183 HydrophobicContact CG1-CD2 4.15Å; V3-L183 HydrophobicContact CG1-CG 4.37Å; A6-L183 HydrophobicContact CB-CD2 4.29Å; V179-L183 HydrophobicContact CG1-CD1 3.8Å; V179-L183 HydrophobicContact CG1-CG 4.38Å; V179-L183 WeakPolarHBondContact O-CB 3.45Å; V179-L183 WeakPolarHBondContact O-CG 3.41Å; V179-L183 PolarHBondContact O-N 2.73Å; L181-L183 VanDerWaalsContact C-N 3.26Å; L181-L183 PolarHBondContact O-N 2.83Å; L183-K185 HydrophobicContact CB-CG 3.99Å; L183-K185 WeakPolarHBondContact O-CE 3.22Å; L183-K185 WeakPolarHBondContact O-CG 3.5Å; L183-M517 HydrophobicContact CD1-CE 3.68Å; L183-V545 HydrophobicContact CD1-CG2 4.45Å
184K96.8Very high97Very high148 Ų14828 Ų2864%0.64315%0.147SC*.THydrogen-bonded Turntrans52.155-175.2-58.2-175.7178.4-1750112.3L180 L181 F218L180-K184 PolarHBondContact O-N 3.02Å; L181-K184 PolarHBondContact O-N 2.85Å; K184-F218 VanDerWaalsContact C-CD2 3.42Å; K184-F218 VanDerWaalsContact C-CE2 3.44Å; K184-F218 HydrophobicContact CB-CD1 4.04Å; K184-F218 HydrophobicContact CB-CD2 4.44Å; K184-F218 HydrophobicContact CB-CE1 4.07Å; K184-F218 HydrophobicContact CB-CE2 4.47Å; K184-F218 HydrophobicContact CB-CG 4.22Å; K184-F218 HydrophobicContact CB-CZ 4.28Å; K184-F218 HydrophobicContact CG-CD1 4.43Å; K184-F218 HydrophobicContact CG-CE1 4.19Å
185K95.9Very high96.8Very high30 Ų3025.1 Ų25.113%0.1313%0.134CC..  trans-123.4125.2-178.6-59.6-61.5167.6-179.50111.2M1 L180 L183 P187 P225 D515M1-K185 HydrophobicContact SD-CG 4.29Å; L180-K185 HydrophobicContact CD2-CB 4.31Å; L180-K185 PolarHBondContact O-N 3.5Å; L183-K185 HydrophobicContact CB-CG 3.99Å; L183-K185 WeakPolarHBondContact O-CE 3.22Å; L183-K185 WeakPolarHBondContact O-CG 3.5Å; K185-P187 WeakPolarHBondContact O-CD 3.31Å; K185-P225 HydrophobicContact CB-CB 4.26Å; K185-P225 HydrophobicContact CB-CG 3.97Å; K185-P225 HydrophobicContact CD-CB 3.98Å; K185-P225 HydrophobicContact CD-CG 3.96Å; K185-P225 HydrophobicContact CG-CB 4.44Å; K185-P225 HydrophobicContact CG-CG 4.48Å; K185-D515 WeakPolarHBondContact CE-OD2 3.44Å; K185-D515 IonicContact NZ-OD2 3.12Å; K185-D515 PolarHBondContact NZ-OD2 3.36Å
186C96.1Very high96.5Very high54 Ų5429.4 Ų29.437%0.36516%0.157SC..  trans-106.998.2168.6-174.80000108.5F216 F218 P225C186-F216 HydrophobicContact CB-CB 4.3Å; C186-F216 HydrophobicContact CB-CD1 4.2Å; C186-F218 HydrophobicContact CB-CD2 4.19Å; C186-P225 WeakPolarHBondContact O-CG 3.46Å
187P96.1Very high96.4Very high11 Ų1129.6 Ų29.67%0.07116%0.158CC..  trans-90.7153.5-165.336.7-37.3000113.9L180 K185 I189 I209 P225 L227L180-P187 HydrophobicContact CD1-CG 3.83Å; L180-P187 HydrophobicContact CD2-CB 4.42Å; L180-P187 HydrophobicContact CD2-CG 3.68Å; L180-P187 HydrophobicContact CG-CG 4.42Å; K185-P187 WeakPolarHBondContact O-CD 3.31Å; P187-I189 HydrophobicContact CG-CG1 4.44Å; P187-I209 HydrophobicContact CG-CD1 4.44Å; P187-P225 CarbonylContact C-O 2.96Å; P187-P225 WeakPolarHBondContact CA-O 3.35Å; P187-P225 HydrophobicContact CB-CG 4.5Å; P187-L227 HydrophobicContact CB-CB 3.81Å; P187-L227 HydrophobicContact CG-CB 3.84Å; P187-L227 HydrophobicContact CG-CD2 4.47Å
188M96.3Very high96.3Very high37 Ų3729.4 Ų29.418%0.18216%0.157CC..EExtended strand (participates in β ladder)trans-73.2137.6151.5-62.6-172.273.600108.6P224 P225 L226 L227 Y503 S507 L509M188-P224 HydrophobicContact CG-CB 4Å; M188-P224 HydrophobicContact SD-CB 4.18Å; M188-P224 HydrophobicContact SD-CG 4.37Å; M188-P225 PolarHBondContact N-O 3.25Å; M188-L226 CarbonylContact O-C 3.51Å; M188-L226 WeakPolarHBondContact O-CA 3.25Å; M188-L227 PolarHBondContact O-N 2.87Å; M188-Y503 HydrophobicContact CB-CD1 4.46Å; M188-Y503 HydrophobicContact CB-CE1 4.48Å; M188-Y503 HydrophobicContact CE-CD1 3.98Å; M188-Y503 HydrophobicContact CE-CE1 4.15Å; M188-S507 VanDerWaalsContact CE-O 3.28Å; M188-S507 WeakPolarHBondContact CE-O 3.05Å; M188-L509 HydrophobicContact SD-CB 4.05Å; M188-L509 HydrophobicContact SD-CD1 3.86Å
189I98.3Very high96.3Very high7 Ų733.5 Ų33.54%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-107.3125.3-174.5-51.1179.6000109.5P187 A202 V205 K206 I209 L227 I229 Y503 L504P187-I189 HydrophobicContact CG-CG1 4.44Å; I189-A202 HydrophobicContact CG2-CB 3.75Å; I189-V205 HydrophobicContact CD1-CB 4.33Å; I189-V205 HydrophobicContact CD1-CG1 4.01Å; I189-K206 HydrophobicContact CD1-CB 4.15Å; I189-I209 HydrophobicContact CD1-CD1 4.44Å; I189-L227 CarbonylContact C-O 3.57Å; I189-L227 WeakPolarHBondContact CA-O 3.48Å; I189-L227 HydrophobicContact CD1-CD2 4.35Å; I189-L227 HydrophobicContact CG1-CB 4.38Å; I189-L227 HydrophobicContact CG1-CD2 4.24Å; I189-L227 HydrophobicContact CG2-CD2 4.29Å; I189-L227 HydrophobicContact CG2-CG 4.38Å; I189-I229 HydrophobicContact CG2-CD1 4.02Å; I189-Y503 CarbonylContact O-C 3.56Å; I189-Y503 WeakPolarHBondContact O-CA 3.02Å; I189-L504 HydrophobicContact CB-CB 4.18Å; I189-L504 HydrophobicContact CD1-CD2 4.36Å; I189-L504 PolarHBondContact O-N 3.21Å
190R98.3Very high96.2Very high8 Ų839.2 Ų39.23%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-111.7147.8164.2-64.9-17675.8164.23.9109.2L226 L227 L228 I229 L496 D498 F501 P502 Y503R190-L226 HydrophobicContact CG-CD1 4.25Å; R190-L227 PolarHBondContact N-O 2.92Å; R190-L227 VanDerWaalsContact O-O 3.13Å; R190-L228 HydrophobicContact CB-CD1 3.9Å; R190-L228 WeakPolarHBondContact O-CA 3.43Å; R190-I229 PolarHBondContact O-N 3.42Å; R190-L496 PolarHBondContact NH1-O 3.05Å; R190-L496 PolarHBondContact NH2-O 3.17Å; R190-D498 IonicContact CZ-OD1 3.54Å; R190-D498 IonicContact NH2-OD1 2.78Å; R190-D498 PolarHBondContact NH2-OD1 3.26Å; R190-F501 PolarHBondContact NE-O 3.26Å; R190-F501 PolarHBondContact NH2-O 3Å; R190-P502 VanDerWaalsContact CA-O 3.31Å; R190-P502 WeakPolarHBondContact CA-O 3.34Å; R190-Y503 HydrophobicContact CG-CD1 3.55Å; R190-Y503 HydrophobicContact CG-CD2 4.33Å; R190-Y503 HydrophobicContact CG-CE1 3.55Å; R190-Y503 HydrophobicContact CG-CE2 4.33Å; R190-Y503 HydrophobicContact CG-CG 3.96Å
191Y98.3Very high96.2Very high21 Ų2139.1 Ų39.18%0.08220%0.195CC..EExtended strand (participates in β ladder)trans-141.3153.4179.565.9-88.8000111L193 K199 A202 I229 F501 P502 L504Y191-L193 HydrophobicContact CE2-CD1 4.26Å; Y191-L193 PolarHBondContact O-N 3.14Å; Y191-K199 HydrophobicContact CD2-CB 3.83Å; Y191-K199 HydrophobicContact CD2-CG 4.39Å; Y191-K199 HydrophobicContact CE2-CB 3.63Å; Y191-K199 HydrophobicContact CE2-CD 4.2Å; Y191-K199 HydrophobicContact CE2-CG 3.81Å; Y191-A202 HydrophobicContact CD1-CB 4.03Å; Y191-A202 HydrophobicContact CG-CB 4.26Å; Y191-I229 CarbonylContact C-O 3.59Å; Y191-I229 WeakPolarHBondContact CA-O 3.42Å; Y191-F501 VanDerWaalsContact O-CA 3.27Å; Y191-F501 WeakPolarHBondContact O-CA 3.31Å; Y191-P502 HydrophobicContact CE1-CG 4.03Å; Y191-P502 HydrophobicContact CE2-CG 4Å; Y191-P502 PolarHBondContact N-O 3.06Å; Y191-P502 WeakPolarHBondContact O-CD 3.39Å; Y191-L504 HydrophobicContact CE1-CB 4.44Å; Y191-L504 HydrophobicContact CE1-CD1 4.08Å
192Q96.4Very high96.3Very high5 Ų538.7 Ų38.72%0.02319%0.193CC..  trans-68.4115.6174.7-177.1176.7-8.100111.4S194 S195 A198 I229 L230 D234 F501Q192-S194 VanDerWaalsContact C-N 3.29Å; Q192-S194 WeakPolarHBondContact CG-OG 3.27Å; Q192-S194 PolarHBondContact NE2-OG 3.39Å; Q192-S194 PolarHBondContact O-N 3.43Å; Q192-S195 PolarHBondContact O-N 3.16Å; Q192-S195 VanDerWaalsContact O-N 3.12Å; Q192-A198 HydrophobicContact CB-CB 4.4Å; Q192-I229 PolarHBondContact N-O 2.97Å; Q192-L230 HydrophobicContact CB-CD2 4.34Å; Q192-D234 VanDerWaalsContact NE2-CB 3.3Å; Q192-D234 PolarHBondContact NE2-OD2 2.86Å; Q192-F501 HydrophobicContact CB-CD1 4.12Å; Q192-F501 HydrophobicContact CB-CE1 3.9Å; Q192-F501 HydrophobicContact CG-CE1 3.97Å
193L93.6Very high96.3Very high87 Ų8741.5 Ų41.546%0.45520%0.204SC..THydrogen-bonded Turntrans-64.4-31.8-174.5-176.861.8000113.2Y191 S195 S499 Q500 P502Y191-L193 HydrophobicContact CE2-CD1 4.26Å; Y191-L193 PolarHBondContact O-N 3.14Å; L193-S195 PolarHBondContact O-N 2.94Å; L193-S499 VanDerWaalsContact CD2-O 3.25Å; L193-S499 WeakPolarHBondContact CD2-O 3.37Å; L193-Q500 VanDerWaalsContact CB-O 3.31Å; L193-Q500 WeakPolarHBondContact CB-O 3.33Å; L193-Q500 PolarHBondContact N-O 3.07Å; L193-P502 HydrophobicContact CB-CG 4.31Å; L193-P502 HydrophobicContact CD1-CG 4.2Å
194S91.3Very high96.3Very high65 Ų6541.7 Ų41.746%0.45521%0.207SC..THydrogen-bonded Turntrans-70.7-8.2178.361.10000113.7Q192Q192-S194 VanDerWaalsContact C-N 3.29Å; Q192-S194 WeakPolarHBondContact CG-OG 3.27Å; Q192-S194 PolarHBondContact NE2-OG 3.39Å; Q192-S194 PolarHBondContact O-N 3.43Å
195S93.1Very high96.4Very high6 Ų634.7 Ų34.74%0.04218%0.177CC..  trans-112108.3177.3176.80000111.7Q192 L193 M197 A198 K199 D231Q192-S195 PolarHBondContact O-N 3.16Å; Q192-S195 VanDerWaalsContact O-N 3.12Å; L193-S195 PolarHBondContact O-N 2.94Å; S195-M197 PolarHBondContact O-N 2.81Å; S195-M197 PolarHBondContact OG-N 2.8Å; S195-A198 WeakPolarHBondContact O-CB 3.43Å; S195-A198 PolarHBondContact O-N 3.16Å; S195-A198 VanDerWaalsContact O-N 3.16Å; S195-A198 PolarHBondContact OG-N 2.74Å; S195-K199 PolarHBondContact O-N 2.88Å; S195-K199 VanDerWaalsContact O-N 3.14Å; S195-D231 WeakPolarHBondContact CB-OD2 3.38Å; S195-D231 PolarHBondContact OG-OD2 3.28Å
196D92.3Very high96.5Very high90 Ų9037.7 Ų37.748%0.48119%0.19SC..Hα-helixtrans-54.8-33.9167.2-80.9-14.5000111.4R148 R200R148-D196 IonicContact NH2-OD2 2.71Å; R148-D196 PolarHBondContact NH2-OD2 2.91Å; D196-R200 WeakPolarHBondContact O-CG 3.22Å; D196-R200 PolarHBondContact O-N 2.91Å
197M95.2Very high96.6Very high5 Ų541.2 Ų41.23%0.02520%0.201CC..Hα-helixtrans-67.8-42.5179.5-68.5-175.661.300111.2R162 W164 S195 R200 L201 I521R162-M197 HydrophobicContact CB-SD 4.2Å; W164-M197 HydrophobicContact CB-CE 4.44Å; W164-M197 HydrophobicContact CD2-CE 3.55Å; W164-M197 HydrophobicContact CE3-CE 3.86Å; W164-M197 HydrophobicContact CG-CE 3.82Å; W164-M197 HydrophobicContact CG-CG 4.36Å; W164-M197 HydrophobicContact CH2-CE 4.48Å; W164-M197 HydrophobicContact CZ2-CB 4.28Å; W164-M197 HydrophobicContact CZ2-CE 4.19Å; W164-M197 HydrophobicContact CZ3-CE 4.32Å; W164-M197 VanDerWaalsContact NE1-CA 3.26Å; W164-M197 PolarHBondContact NE1-O 2.72Å; S195-M197 PolarHBondContact O-N 2.81Å; S195-M197 PolarHBondContact OG-N 2.8Å; M197-R200 PolarHBondContact O-N 2.73Å; M197-L201 PolarHBondContact O-N 2.94Å; M197-I521 HydrophobicContact CB-CD1 4.25Å; M197-I521 HydrophobicContact CE-CG2 3.9Å
198A97.3Very high96.6Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-61.2-45.3175.300000112Q192 S195 L201 A202 I229 I521Q192-A198 HydrophobicContact CB-CB 4.4Å; S195-A198 WeakPolarHBondContact O-CB 3.43Å; S195-A198 PolarHBondContact O-N 3.16Å; S195-A198 VanDerWaalsContact O-N 3.16Å; S195-A198 PolarHBondContact OG-N 2.74Å; A198-L201 PolarHBondContact O-N 3.18Å; A198-A202 WeakPolarHBondContact O-CB 3.37Å; A198-A202 PolarHBondContact O-N 2.94Å; A198-I229 HydrophobicContact CB-CG2 3.8Å; A198-I521 VanDerWaalsContact CA-CD1 3.44Å; A198-I521 HydrophobicContact CB-CD1 4Å
199K97.1Very high96.6Very high85 Ų8541.8 Ų41.837%0.3720%0.204SC..Hα-helixtrans-59.4-48.9175.9-175.7177.8174.1-177.30112.1Y191 S195 L201 A202 E203Y191-K199 HydrophobicContact CD2-CB 3.83Å; Y191-K199 HydrophobicContact CD2-CG 4.39Å; Y191-K199 HydrophobicContact CE2-CB 3.63Å; Y191-K199 HydrophobicContact CE2-CD 4.2Å; Y191-K199 HydrophobicContact CE2-CG 3.81Å; S195-K199 PolarHBondContact O-N 2.88Å; S195-K199 VanDerWaalsContact O-N 3.14Å; K199-L201 VanDerWaalsContact C-N 3.35Å; K199-L201 PolarHBondContact O-N 3.38Å; K199-A202 WeakPolarHBondContact O-CB 3.46Å; K199-A202 PolarHBondContact O-N 3.13Å; K199-E203 WeakPolarHBondContact CE-OE1 3.44Å; K199-E203 WeakPolarHBondContact O-CG 3.41Å; K199-E203 PolarHBondContact O-N 3.42Å
200R97.4Very high96.5Very high120 Ų12045.7 Ų45.745%0.45323%0.228SC..Hα-helixtrans-61.1-41.6179.8-74.5-179.2-178.8-142.32.5112.5L169 D196 M197 E203 S204L169-R200 HydrophobicContact CD2-CB 4.49Å; D196-R200 WeakPolarHBondContact O-CG 3.22Å; D196-R200 PolarHBondContact O-N 2.91Å; M197-R200 PolarHBondContact O-N 2.73Å; R200-E203 PolarHBondContact O-N 3.2Å; R200-S204 PolarHBondContact O-N 3.25Å; R200-S204 PolarHBondContact O-OG 3.38Å; R200-S204 VanDerWaalsContact O-OG 3.1Å
201L98.5Very high96.4Very high0 Ų052.7 Ų52.70%026%0.259CS..Hα-helixtrans-65.5-41.7175.9-178.862.5000111.6W164 L169 C172 L176 M197 A198 K199 E203 S204 V205 I229 F519 I521W164-L201 HydrophobicContact CH2-CD2 4.2Å; W164-L201 HydrophobicContact CZ2-CB 3.83Å; W164-L201 HydrophobicContact CZ2-CD2 4.15Å; W164-L201 HydrophobicContact CZ2-CG 4.42Å; L169-L201 HydrophobicContact CD1-CB 4.19Å; L169-L201 HydrophobicContact CD1-CD1 4.04Å; C172-L201 HydrophobicContact CB-CD1 4.01Å; L176-L201 HydrophobicContact CD2-CD2 4.39Å; M197-L201 PolarHBondContact O-N 2.94Å; A198-L201 PolarHBondContact O-N 3.18Å; K199-L201 VanDerWaalsContact C-N 3.35Å; K199-L201 PolarHBondContact O-N 3.38Å; L201-E203 VanDerWaalsContact C-N 3.33Å; L201-E203 PolarHBondContact O-N 3.13Å; L201-S204 PolarHBondContact O-N 2.95Å; L201-V205 HydrophobicContact CD1-CG2 4.09Å; L201-V205 HydrophobicContact CG-CG2 4.37Å; L201-V205 WeakPolarHBondContact O-CB 3.48Å; L201-V205 VanDerWaalsContact O-CG2 3.22Å; L201-V205 WeakPolarHBondContact O-CG2 3.32Å; L201-V205 PolarHBondContact O-N 3.01Å; L201-I229 HydrophobicContact CB-CD1 4.43Å; L201-I229 HydrophobicContact CD2-CD1 4.34Å; L201-I229 HydrophobicContact CD2-CG2 4.04Å; L201-I229 HydrophobicContact CG-CD1 4.12Å; L201-F519 HydrophobicContact CD2-CD1 3.51Å; L201-F519 HydrophobicContact CD2-CE1 3.53Å; L201-I521 HydrophobicContact CB-CD1 4.49Å; L201-I521 HydrophobicContact CD2-CD1 4.12Å; L201-I521 HydrophobicContact CD2-CG1 4.03Å
202A98.5Very high96.2Very high0 Ų054 Ų540%027%0.265CS..Hα-helixtrans-57.1-47.3175.200000111.5I189 Y191 A198 K199 K206 I229 L504I189-A202 HydrophobicContact CG2-CB 3.75Å; Y191-A202 HydrophobicContact CD1-CB 4.03Å; Y191-A202 HydrophobicContact CG-CB 4.26Å; A198-A202 WeakPolarHBondContact O-CB 3.37Å; A198-A202 PolarHBondContact O-N 2.94Å; K199-A202 WeakPolarHBondContact O-CB 3.46Å; K199-A202 PolarHBondContact O-N 3.13Å; A202-K206 WeakPolarHBondContact O-CB 3.32Å; A202-K206 PolarHBondContact O-N 3.36Å; A202-I229 HydrophobicContact CB-CD1 3.81Å; A202-L504 HydrophobicContact CB-CD2 4.14Å; A202-L504 WeakPolarHBondContact O-CD2 3.43Å
203E98.3Very high96.1Very high72 Ų7260.5 Ų60.534%0.33629%0.291SS..Hα-helixtrans-62.3-47.5177-71.9170.7169.100111.8K199 R200 L201 V205 K206 Q207 L504K199-E203 WeakPolarHBondContact CE-OE1 3.44Å; K199-E203 WeakPolarHBondContact O-CG 3.41Å; K199-E203 PolarHBondContact O-N 3.42Å; R200-E203 PolarHBondContact O-N 3.2Å; L201-E203 VanDerWaalsContact C-N 3.33Å; L201-E203 PolarHBondContact O-N 3.13Å; E203-V205 PolarHBondContact O-N 3.3Å; E203-K206 PolarHBondContact O-N 2.95Å; E203-Q207 VanDerWaalsContact O-CG 3.27Å; E203-Q207 WeakPolarHBondContact O-CG 3.3Å; E203-Q207 PolarHBondContact O-N 3.28Å; E203-L504 HydrophobicContact CG-CD1 3.94Å
204S98.1Very high96.2Very high25 Ų2564.7 Ų64.718%0.17531%0.308CS..Hα-helixtrans-61.3-42.7178.4-63.90000112.5T173 R200 L201 Q207 I208T173-S204 WeakPolarHBondContact OG1-CB 3.35Å; R200-S204 PolarHBondContact O-N 3.25Å; R200-S204 PolarHBondContact O-OG 3.38Å; R200-S204 VanDerWaalsContact O-OG 3.1Å; L201-S204 PolarHBondContact O-N 2.95Å; S204-Q207 WeakPolarHBondContact O-CB 3.3Å; S204-Q207 PolarHBondContact O-N 3.42Å; S204-I208 WeakPolarHBondContact O-CG1 3.33Å; S204-I208 PolarHBondContact O-N 2.9Å; S204-I208 VanDerWaalsContact O-N 3.13Å
205V98.3Very high96.4Very high0 Ų064.3 Ų64.30%030%0.301CS..Hα-helixtrans-65.1-43.3176.61730000110.8T173 L176 L180 I189 L201 E203 Q207 I208 I209 L227T173-V205 HydrophobicContact CG2-CG2 4.13Å; L176-V205 HydrophobicContact CB-CG2 4.47Å; L176-V205 HydrophobicContact CD2-CG2 4.01Å; L176-V205 HydrophobicContact CG-CG2 4.48Å; L180-V205 HydrophobicContact CD1-CG1 4.04Å; I189-V205 HydrophobicContact CD1-CB 4.33Å; I189-V205 HydrophobicContact CD1-CG1 4.01Å; L201-V205 HydrophobicContact CD1-CG2 4.09Å; L201-V205 HydrophobicContact CG-CG2 4.37Å; L201-V205 WeakPolarHBondContact O-CB 3.48Å; L201-V205 VanDerWaalsContact O-CG2 3.22Å; L201-V205 WeakPolarHBondContact O-CG2 3.32Å; L201-V205 PolarHBondContact O-N 3.01Å; E203-V205 PolarHBondContact O-N 3.3Å; V205-Q207 VanDerWaalsContact C-N 3.3Å; V205-Q207 PolarHBondContact O-N 3.27Å; V205-I208 PolarHBondContact O-N 2.9Å; V205-I209 HydrophobicContact CG1-CD1 3.88Å; V205-I209 HydrophobicContact CG1-CG1 4.49Å; V205-I209 WeakPolarHBondContact O-CG1 3.37Å; V205-I209 PolarHBondContact O-N 3.17Å; V205-L227 HydrophobicContact CG1-CD2 4.21Å
206K97.7Very high96.6Very high94 Ų9464.4 Ų64.441%0.40930%0.3SS..Hα-helixtrans-62.6-37.6176.8-176.859.5178.4176.70112.4I189 A202 E203 I209 T210 L504I189-K206 HydrophobicContact CD1-CB 4.15Å; A202-K206 WeakPolarHBondContact O-CB 3.32Å; A202-K206 PolarHBondContact O-N 3.36Å; E203-K206 PolarHBondContact O-N 2.95Å; K206-I209 PolarHBondContact O-N 3.05Å; K206-T210 WeakPolarHBondContact O-CB 3.18Å; K206-T210 PolarHBondContact O-N 2.96Å; K206-T210 PolarHBondContact O-OG1 3.23Å; K206-L504 HydrophobicContact CB-CD2 3.48Å; K206-L504 VanDerWaalsContact CB-CD2 3.48Å; K206-L504 HydrophobicContact CG-CD2 3.88Å
207Q97.5Very high96.7Very high128 Ų12865 Ų6560%0.59830%0.303SS*.Hα-helixtrans-61.2-44.9174.6-75170.10.200111.3E203 S204 V205 T210 K211E203-Q207 VanDerWaalsContact O-CG 3.27Å; E203-Q207 WeakPolarHBondContact O-CG 3.3Å; E203-Q207 PolarHBondContact O-N 3.28Å; S204-Q207 WeakPolarHBondContact O-CB 3.3Å; S204-Q207 PolarHBondContact O-N 3.42Å; V205-Q207 VanDerWaalsContact C-N 3.3Å; V205-Q207 PolarHBondContact O-N 3.27Å; Q207-T210 PolarHBondContact O-N 3.18Å; Q207-K211 VanDerWaalsContact O-CB 3.32Å; Q207-K211 WeakPolarHBondContact O-CB 3.34Å; Q207-K211 PolarHBondContact O-N 3.24Å
208I96.9Very high96.6Very high55 Ų5567.1 Ų67.128%0.28231%0.313SS..Hα-helixtrans-64.4-46.2176.5-62.1-59.9000111.6T173 T177 S204 V205 T210 K211 E212T173-I208 HydrophobicContact CG2-CG1 3.78Å; T177-I208 HydrophobicContact CG2-CB 4.49Å; T177-I208 HydrophobicContact CG2-CG2 3.53Å; S204-I208 WeakPolarHBondContact O-CG1 3.33Å; S204-I208 PolarHBondContact O-N 2.9Å; S204-I208 VanDerWaalsContact O-N 3.13Å; V205-I208 PolarHBondContact O-N 2.9Å; I208-T210 PolarHBondContact O-N 3.05Å; I208-K211 PolarHBondContact O-N 2.97Å; I208-E212 HydrophobicContact CG2-CG 4.23Å; I208-E212 WeakPolarHBondContact O-CB 3.38Å; I208-E212 PolarHBondContact O-N 2.63Å
209I96.6Very high96.3Very high5 Ų578.7 Ų78.73%0.02636%0.356CS..Hα-helixtrans-57.3-38.5176.4-67.8166.2000111.4L180 P187 I189 V205 K206 Y213 F216L180-I209 HydrophobicContact CD1-CD1 4.23Å; P187-I209 HydrophobicContact CG-CD1 4.44Å; I189-I209 HydrophobicContact CD1-CD1 4.44Å; V205-I209 HydrophobicContact CG1-CD1 3.88Å; V205-I209 HydrophobicContact CG1-CG1 4.49Å; V205-I209 WeakPolarHBondContact O-CG1 3.37Å; V205-I209 PolarHBondContact O-N 3.17Å; K206-I209 PolarHBondContact O-N 3.05Å; I209-Y213 WeakPolarHBondContact O-CA 3.44Å; I209-Y213 PolarHBondContact O-N 3.39Å; I209-F216 HydrophobicContact CB-CD2 4.33Å; I209-F216 HydrophobicContact CB-CE2 4.4Å; I209-F216 HydrophobicContact CG1-CD1 4.19Å; I209-F216 HydrophobicContact CG1-CD2 4.23Å; I209-F216 HydrophobicContact CG1-CE1 3.89Å; I209-F216 HydrophobicContact CG1-CE2 3.94Å; I209-F216 HydrophobicContact CG1-CG 4.35Å; I209-F216 HydrophobicContact CG1-CZ 3.77Å; I209-F216 HydrophobicContact CG2-CB 4.33Å; I209-F216 HydrophobicContact CG2-CD1 4.43Å; I209-F216 HydrophobicContact CG2-CD2 4.28Å; I209-F216 HydrophobicContact CG2-CG 4.09Å
210T96.2Very high95.8Very high89 Ų8983.6 Ų83.655%0.54638%0.378SS..Hα-helixtrans-74.2-40.8-179.5-53.10000111.5K206 Q207 I208K206-T210 WeakPolarHBondContact O-CB 3.18Å; K206-T210 PolarHBondContact O-N 2.96Å; K206-T210 PolarHBondContact O-OG1 3.23Å; Q207-T210 PolarHBondContact O-N 3.18Å; I208-T210 PolarHBondContact O-N 3.05Å
211K95.8Very high95.3Very high155 Ų15581.2 Ų81.267%0.67438%0.377SS*.Hα-helixtrans-67.4-44.1179.1-177.5-171.6168.6-155.30111.6Q207 I208Q207-K211 VanDerWaalsContact O-CB 3.32Å; Q207-K211 WeakPolarHBondContact O-CB 3.34Å; Q207-K211 PolarHBondContact O-N 3.24Å; I208-K211 PolarHBondContact O-N 2.97Å
212E95.1Very high94.8Very high48 Ų4890 Ų9022%0.22442%0.418CS..THydrogen-bonded Turntrans-102.240.4-177-50-59.316000111.1I208 E214 L215 F216I208-E212 HydrophobicContact CG2-CG 4.23Å; I208-E212 WeakPolarHBondContact O-CB 3.38Å; I208-E212 PolarHBondContact O-N 2.63Å; E212-E214 PolarHBondContact O-N 2.91Å; E212-E214 VanDerWaalsContact O-N 3.13Å; E212-L215 HydrophobicContact CB-CB 4.49Å; E212-L215 HydrophobicContact CB-CD1 3.99Å; E212-L215 HydrophobicContact CB-CG 4.36Å; E212-L215 WeakPolarHBondContact O-CB 3.4Å; E212-L215 PolarHBondContact O-N 2.57Å; E212-F216 WeakPolarHBondContact O-CD2 3.29Å
213Y94.1Very high94.5Very high141 Ų14190.7 Ų90.755%0.55342%0.422SS*.G310 helixtrans-52.5-39-171.7172.8-91.7000113.6I209 L215 F216 D217I209-Y213 WeakPolarHBondContact O-CA 3.44Å; I209-Y213 PolarHBondContact O-N 3.39Å; Y213-L215 VanDerWaalsContact C-N 3.26Å; Y213-L215 PolarHBondContact O-N 2.99Å; Y213-F216 CarbonylContact O-C 3.59Å; Y213-F216 WeakPolarHBondContact O-CA 3.44Å; Y213-F216 PolarHBondContact O-N 2.85Å; Y213-D217 HydrophobicContact CE1-CB 4.36Å; Y213-D217 PolarHBondContact O-N 3.37Å; Y213-D217 VanDerWaalsContact O-N 3.12Å
214E95.6Very high94.3Very high176 Ų17689.5 Ų89.582%0.82242%0.42SS*.G310 helixtrans-60.2-34.6179.6-64.1-178.1172.600112.6E212 F216 D217E212-E214 PolarHBondContact O-N 2.91Å; E212-E214 VanDerWaalsContact O-N 3.13Å; E214-F216 PolarHBondContact O-N 3.15Å; E214-D217 PolarHBondContact O-N 2.77Å
215L95.2Very high94.2Very high57 Ų5788.9 Ų88.930%0.29842%0.416SS..G310 helixtrans-69.7-20.4175.6-63.1-178.9000112.6V101 Y126 L181 E212 Y213 F218V101-L215 HydrophobicContact CG2-CD1 4.34Å; Y126-L215 WeakPolarHBondContact OH-CD1 3.42Å; L181-L215 HydrophobicContact CD1-CD1 4.49Å; L181-L215 HydrophobicContact CD2-CB 3.87Å; L181-L215 WeakPolarHBondContact CD2-O 3.43Å; E212-L215 HydrophobicContact CB-CB 4.49Å; E212-L215 HydrophobicContact CB-CD1 3.99Å; E212-L215 HydrophobicContact CB-CG 4.36Å; E212-L215 WeakPolarHBondContact O-CB 3.4Å; E212-L215 PolarHBondContact O-N 2.57Å; Y213-L215 VanDerWaalsContact C-N 3.26Å; Y213-L215 PolarHBondContact O-N 2.99Å; L215-F218 WeakPolarHBondContact O-CE1 3.49Å; L215-F218 WeakPolarHBondContact O-CZ 3.38Å
216F96Very high94.2Very high7 Ų789 Ų893%0.03142%0.416CS..G310 helixtrans-104.83.4-178.3-74.4-84.5000113.7T177 L180 L181 C186 I209 E212 Y213 E214 F218T177-F216 HydrophobicContact CG2-CE2 4.07Å; T177-F216 HydrophobicContact CG2-CZ 3.67Å; L180-F216 HydrophobicContact CB-CE1 3.93Å; L181-F216 HydrophobicContact CD1-CE2 4.48Å; L181-F216 HydrophobicContact CD1-CZ 4.3Å; L181-F216 HydrophobicContact CD2-CD1 4.11Å; L181-F216 HydrophobicContact CD2-CD2 4.07Å; L181-F216 HydrophobicContact CD2-CE1 3.75Å; L181-F216 HydrophobicContact CD2-CE2 3.7Å; L181-F216 HydrophobicContact CD2-CG 4.26Å; L181-F216 HydrophobicContact CD2-CZ 3.52Å; L181-F216 HydrophobicContact CG-CE1 4.12Å; L181-F216 HydrophobicContact CG-CE2 4.2Å; L181-F216 HydrophobicContact CG-CZ 3.7Å; C186-F216 HydrophobicContact CB-CB 4.3Å; C186-F216 HydrophobicContact CB-CD1 4.2Å; I209-F216 HydrophobicContact CB-CD2 4.33Å; I209-F216 HydrophobicContact CB-CE2 4.4Å; I209-F216 HydrophobicContact CG1-CD1 4.19Å; I209-F216 HydrophobicContact CG1-CD2 4.23Å; I209-F216 HydrophobicContact CG1-CE1 3.89Å; I209-F216 HydrophobicContact CG1-CE2 3.94Å; I209-F216 HydrophobicContact CG1-CG 4.35Å; I209-F216 HydrophobicContact CG1-CZ 3.77Å; I209-F216 HydrophobicContact CG2-CB 4.33Å; I209-F216 HydrophobicContact CG2-CD1 4.43Å; I209-F216 HydrophobicContact CG2-CD2 4.28Å; I209-F216 HydrophobicContact CG2-CG 4.09Å; E212-F216 WeakPolarHBondContact O-CD2 3.29Å; Y213-F216 CarbonylContact O-C 3.59Å; Y213-F216 WeakPolarHBondContact O-CA 3.44Å; Y213-F216 PolarHBondContact O-N 2.85Å; E214-F216 PolarHBondContact O-N 3.15Å; F216-F218 HydrophobicContact CB-CE2 4.47Å; F216-F218 AromaticContact CD1-CE2 3.85Å; F216-F218 HydrophobicContact CD1-CE2 3.85Å; F216-F218 HydrophobicContact CD1-CZ 4.4Å; F216-F218 HydrophobicContact CG-CE2 4.48Å; F216-F218 PolarHBondContact O-N 3.09Å
217D94.7Very high94.3Very high102 Ų10284.5 Ų84.555%0.54540%0.397SS..  trans-77.866.6176.4-16622.8000111.3Y213 E214Y213-D217 HydrophobicContact CE1-CB 4.36Å; Y213-D217 PolarHBondContact O-N 3.37Å; Y213-D217 VanDerWaalsContact O-N 3.12Å; E214-D217 PolarHBondContact O-N 2.77Å
218F94Very high94.3Very high51 Ų5178.4 Ų78.422%0.22437%0.368CS..PPolyproline II helixtrans-84.1162.7176.6-52.2-51.5000111.2L181 K184 C186 L215 F216 K220L181-F218 HydrophobicContact CD2-CZ 3.95Å; K184-F218 VanDerWaalsContact C-CD2 3.42Å; K184-F218 VanDerWaalsContact C-CE2 3.44Å; K184-F218 HydrophobicContact CB-CD1 4.04Å; K184-F218 HydrophobicContact CB-CD2 4.44Å; K184-F218 HydrophobicContact CB-CE1 4.07Å; K184-F218 HydrophobicContact CB-CE2 4.47Å; K184-F218 HydrophobicContact CB-CG 4.22Å; K184-F218 HydrophobicContact CB-CZ 4.28Å; K184-F218 HydrophobicContact CG-CD1 4.43Å; K184-F218 HydrophobicContact CG-CE1 4.19Å; C186-F218 HydrophobicContact CB-CD2 4.19Å; L215-F218 WeakPolarHBondContact O-CE1 3.49Å; L215-F218 WeakPolarHBondContact O-CZ 3.38Å; F216-F218 HydrophobicContact CB-CE2 4.47Å; F216-F218 AromaticContact CD1-CE2 3.85Å; F216-F218 HydrophobicContact CD1-CE2 3.85Å; F216-F218 HydrophobicContact CD1-CZ 4.4Å; F216-F218 HydrophobicContact CG-CE2 4.48Å; F216-F218 PolarHBondContact O-N 3.09Å; F218-K220 PolarHBondContact O-N 2.72Å; F218-K220 VanDerWaalsContact O-N 3.07Å
219R90.3Very high94.4Very high242 Ų24275.8 Ų75.891%0.91336%0.355SS*.PPolyproline II helixtrans-52.8120.5169.5-175.6179.4-178.5-177.31.4110T221R219-T221 PolarHBondContact O-N 3.37Å
220K86.8Confident94.5Very high189 Ų18976 Ų7682%0.82236%0.356SS*.PPolyproline II helixtrans-58.4131177.9-66.2-176.5-179.61780110.4F218F218-K220 PolarHBondContact O-N 2.72Å; F218-K220 VanDerWaalsContact O-N 3.07Å
221T87.7Confident94.5Very high70 Ų7072 Ų7243%0.42933%0.331SS..PPolyproline II helixtrans-92.2155171.251.60000109.7R219 V223R219-T221 PolarHBondContact O-N 3.37Å; T221-V223 VanDerWaalsContact C-N 3.31Å; T221-V223 WeakPolarHBondContact CB-O 3.48Å; T221-V223 PolarHBondContact O-N 3.48Å; T221-V223 PolarHBondContact OG1-O 2.97Å
222E87.8Confident94.6Very high184 Ų18464.6 Ų64.686%0.8630%0.299SS*.SBendtrans-58.3-46.2175.6-66.8-178.8169.700111.2
223V92.8Very high94.5Very high15 Ų1562.6 Ų62.69%0.09129%0.29CS..SBendtrans-107.3119.9172.8-176.60000108.6T221 L509 D511 R512 Q514T221-V223 VanDerWaalsContact C-N 3.31Å; T221-V223 WeakPolarHBondContact CB-O 3.48Å; T221-V223 PolarHBondContact O-N 3.48Å; T221-V223 PolarHBondContact OG1-O 2.97Å; V223-L509 HydrophobicContact CG1-CD1 4.12Å; V223-L509 HydrophobicContact CG1-CD2 4.21Å; V223-D511 HydrophobicContact CG1-CB 4.38Å; V223-D511 HydrophobicContact CG2-CB 3.94Å; V223-R512 WeakPolarHBondContact CG1-O 3.47Å; V223-Q514 HydrophobicContact CB-CG 4.36Å; V223-Q514 HydrophobicContact CG2-CG 4.38Å
224P93.6Very high94.5Very high47 Ų4756.1 Ų56.131%0.30527%0.265SS..  trans-56.3139.6172.6-27.133.7000112.1M188 L509M188-P224 HydrophobicContact CG-CB 4Å; M188-P224 HydrophobicContact SD-CB 4.18Å; M188-P224 HydrophobicContact SD-CG 4.37Å; P224-L509 HydrophobicContact CB-CD1 4.3Å; P224-L509 HydrophobicContact CG-CD1 4.12Å
225P96.3Very high94.5Very high12 Ų1248.1 Ų48.18%0.07823%0.228CC..  trans-64.8157172.325.7-28.9000110.6K185 C186 P187 M188 D515K185-P225 HydrophobicContact CB-CB 4.26Å; K185-P225 HydrophobicContact CB-CG 3.97Å; K185-P225 HydrophobicContact CD-CB 3.98Å; K185-P225 HydrophobicContact CD-CG 3.96Å; K185-P225 HydrophobicContact CG-CB 4.44Å; K185-P225 HydrophobicContact CG-CG 4.48Å; C186-P225 WeakPolarHBondContact O-CG 3.46Å; P187-P225 CarbonylContact C-O 2.96Å; P187-P225 WeakPolarHBondContact CA-O 3.35Å; P187-P225 HydrophobicContact CB-CG 4.5Å; M188-P225 PolarHBondContact N-O 3.25Å; P225-D515 CarbonylContact C-O 3.58Å; P225-D515 WeakPolarHBondContact CA-O 3.37Å; P225-D515 HydrophobicContact CB-CB 3.82Å
226L97.9Very high94.5Very high1 Ų145.4 Ų45.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-121.9131.6-177.5-169.4149.5000110.8M188 R190 L228 L491 Y503 L509 P513 D515 I516 M517M188-L226 CarbonylContact O-C 3.51Å; M188-L226 WeakPolarHBondContact O-CA 3.25Å; R190-L226 HydrophobicContact CG-CD1 4.25Å; L226-L228 HydrophobicContact CD2-CB 3.96Å; L226-L491 HydrophobicContact CD1-CD1 3.99Å; L226-L491 HydrophobicContact CD2-CD1 4.4Å; L226-L491 HydrophobicContact CD2-CD2 3.95Å; L226-Y503 HydrophobicContact CD1-CE1 4.24Å; L226-L509 HydrophobicContact CD1-CD2 4.42Å; L226-P513 HydrophobicContact CB-CB 4.22Å; L226-P513 HydrophobicContact CD1-CB 4.31Å; L226-D515 PolarHBondContact N-O 3.3Å; L226-I516 CarbonylContact O-C 3.5Å; L226-I516 WeakPolarHBondContact O-CA 3.13Å; L226-M517 PolarHBondContact O-N 3.43Å
227L98.6Very high94.5Very high0 Ų045.4 Ų45.40%021%0.214CC..EExtended strand (participates in β ladder)trans-104.3119.3168.9170.761000108.7L176 L180 P187 M188 I189 R190 V205 I229 M517 F519L176-L227 HydrophobicContact CD1-CD1 4.16Å; L176-L227 HydrophobicContact CD2-CD1 4.14Å; L176-L227 HydrophobicContact CD2-CD2 3.83Å; L176-L227 HydrophobicContact CG-CD2 4.28Å; L180-L227 HydrophobicContact CD1-CD2 4.45Å; P187-L227 HydrophobicContact CB-CB 3.81Å; P187-L227 HydrophobicContact CG-CB 3.84Å; P187-L227 HydrophobicContact CG-CD2 4.47Å; M188-L227 PolarHBondContact O-N 2.87Å; I189-L227 CarbonylContact C-O 3.57Å; I189-L227 WeakPolarHBondContact CA-O 3.48Å; I189-L227 HydrophobicContact CD1-CD2 4.35Å; I189-L227 HydrophobicContact CG1-CB 4.38Å; I189-L227 HydrophobicContact CG1-CD2 4.24Å; I189-L227 HydrophobicContact CG2-CD2 4.29Å; I189-L227 HydrophobicContact CG2-CG 4.38Å; R190-L227 PolarHBondContact N-O 2.92Å; R190-L227 VanDerWaalsContact O-O 3.13Å; V205-L227 HydrophobicContact CG1-CD2 4.21Å; L227-I229 HydrophobicContact CD1-CG1 4.3Å; L227-I229 HydrophobicContact CD2-CD1 4.18Å; L227-I229 HydrophobicContact CD2-CG1 4.31Å; L227-I229 HydrophobicContact CG-CD1 4.42Å; L227-I229 HydrophobicContact CG-CG1 4.05Å; L227-M517 CarbonylContact C-O 3.59Å; L227-M517 WeakPolarHBondContact CA-O 3.27Å; L227-M517 HydrophobicContact CD1-CB 4.06Å; L227-M517 HydrophobicContact CD1-CG 3.87Å; L227-M517 HydrophobicContact CD1-SD 4.03Å; L227-F519 HydrophobicContact CD1-CB 4.37Å
228L98.8Very high94.7Very high0 Ų040.6 Ų40.60%019%0.188CC..EExtended strand (participates in β ladder)trans-106.3116.9175-178.565.9000109.5R190 L226 L230 T487 L491 L496 F501 M517 V518 F519R190-L228 HydrophobicContact CB-CD1 3.9Å; R190-L228 WeakPolarHBondContact O-CA 3.43Å; L226-L228 HydrophobicContact CD2-CB 3.96Å; L228-L230 HydrophobicContact CD1-CD2 4.13Å; L228-L230 HydrophobicContact CD2-CD1 4.11Å; L228-L230 HydrophobicContact CD2-CD2 4.02Å; L228-L230 HydrophobicContact CD2-CG 4.17Å; L228-L230 HydrophobicContact CG-CD1 4.46Å; L228-L230 HydrophobicContact CG-CD2 3.87Å; L228-L230 HydrophobicContact CG-CG 4Å; L228-T487 HydrophobicContact CD2-CG2 3.95Å; L228-L491 HydrophobicContact CD2-CD2 4.18Å; L228-L496 HydrophobicContact CD1-CD2 4.37Å; L228-F501 HydrophobicContact CD1-CD1 4.13Å; L228-M517 PolarHBondContact N-O 2.98Å; L228-V518 CarbonylContact O-C 3.51Å; L228-V518 WeakPolarHBondContact O-CA 3.35Å; L228-F519 PolarHBondContact O-N 2.91Å
229I98.9Very high94.9Very high0 Ų038.3 Ų38.30%018%0.179CC..EExtended strand (participates in β ladder)trans-102.2122.2177.7-59170.9000109.6I189 R190 Y191 Q192 A198 L201 A202 L227 F519 I521I189-I229 HydrophobicContact CG2-CD1 4.02Å; R190-I229 PolarHBondContact O-N 3.42Å; Y191-I229 CarbonylContact C-O 3.59Å; Y191-I229 WeakPolarHBondContact CA-O 3.42Å; Q192-I229 PolarHBondContact N-O 2.97Å; A198-I229 HydrophobicContact CB-CG2 3.8Å; L201-I229 HydrophobicContact CB-CD1 4.43Å; L201-I229 HydrophobicContact CD2-CD1 4.34Å; L201-I229 HydrophobicContact CD2-CG2 4.04Å; L201-I229 HydrophobicContact CG-CD1 4.12Å; A202-I229 HydrophobicContact CB-CD1 3.81Å; L227-I229 HydrophobicContact CD1-CG1 4.3Å; L227-I229 HydrophobicContact CD2-CD1 4.18Å; L227-I229 HydrophobicContact CD2-CG1 4.31Å; L227-I229 HydrophobicContact CG-CD1 4.42Å; L227-I229 HydrophobicContact CG-CG1 4.05Å; I229-F519 WeakPolarHBondContact CA-O 3.24Å; I229-I521 HydrophobicContact CG2-CD1 3.69Å; I229-I521 HydrophobicContact CG2-CG1 4.15Å
230L98.5Very high95.2Very high10 Ų1026.8 Ų26.85%0.05214%0.135CC..EExtended strand (participates in β ladder)trans-121.4162.6-176.5-60179.9000110.5Q192 L228 L484 T487 F501 V518 F519 L520 I521Q192-L230 HydrophobicContact CB-CD2 4.34Å; L228-L230 HydrophobicContact CD1-CD2 4.13Å; L228-L230 HydrophobicContact CD2-CD1 4.11Å; L228-L230 HydrophobicContact CD2-CD2 4.02Å; L228-L230 HydrophobicContact CD2-CG 4.17Å; L228-L230 HydrophobicContact CG-CD1 4.46Å; L228-L230 HydrophobicContact CG-CD2 3.87Å; L228-L230 HydrophobicContact CG-CG 4Å; L230-L484 HydrophobicContact CD1-CD1 3.63Å; L230-T487 HydrophobicContact CD2-CG2 4.4Å; L230-F501 HydrophobicContact CD2-CD1 4.03Å; L230-F501 HydrophobicContact CD2-CE1 3.5Å; L230-F501 VanDerWaalsContact CD2-CE1 3.5Å; L230-F501 HydrophobicContact CD2-CZ 4.49Å; L230-V518 HydrophobicContact CD1-CG1 3.79Å; L230-V518 HydrophobicContact CG-CG1 4.33Å; L230-F519 PolarHBondContact N-O 3.3Å; L230-L520 HydrophobicContact CB-CD1 3.35Å; L230-L520 HydrophobicContact CD1-CD1 4.4Å; L230-I521 WeakPolarHBondContact O-CB 3.29Å; L230-I521 WeakPolarHBondContact O-CG1 3.46Å; L230-I521 PolarHBondContact O-N 3.22Å
231D96.8Very high95.8Very high4 Ų417.9 Ų17.92%0.02110%0.097CC..EExtended strand (participates in β ladder)trans-122.1127.5177-166.3-36.4000111.2R162 S195 S233 D234R162-D231 IonicContact CZ-OD1 2.71Å; R162-D231 IonicContact NH1-OD1 2.71Å; R162-D231 PolarHBondContact NH1-OD1 3.04Å; R162-D231 IonicContact NH2-OD1 3.36Å; R162-D231 PolarHBondContact NH2-OD1 2.97Å; R162-D231 IonicContact NH2-OD2 2.95Å; R162-D231 PolarHBondContact NH2-OD2 3.35Å; R162-D231 VanDerWaalsContact NH2-OD2 3.07Å; S195-D231 WeakPolarHBondContact CB-OD2 3.38Å; S195-D231 PolarHBondContact OG-OD2 3.28Å; D231-S233 PolarHBondContact O-N 3.35Å; D231-S233 VanDerWaalsContact O-N 3.07Å; D231-S233 PolarHBondContact OD1-N 3.44Å; D231-S233 PolarHBondContact OD1-OG 2.98Å; D231-D234 PolarHBondContact O-N 3.03Å
232R96.7Very high96.2Very high1 Ų114.9 Ų14.90%0.0048%0.078CC..G310 helixtrans-55.8-24.5179.2170.655.768.7-158.6-0.7113.5D234 D235 Y443 L520 I521 G523 E528 F557R232-D234 PolarHBondContact O-N 2.96Å; R232-D234 VanDerWaalsContact O-N 3.1Å; R232-D235 WeakPolarHBondContact CD-O 3.39Å; R232-D235 PolarHBondContact NH1-O 2.97Å; R232-D235 CarbonylContact O-C 3.44Å; R232-D235 PolarHBondContact O-N 2.83Å; R232-Y443 WeakPolarHBondContact CB-OH 3.17Å; R232-Y443 HydrophobicContact CG-CE1 4.04Å; R232-Y443 VanDerWaalsContact CG-OH 3.31Å; R232-Y443 WeakPolarHBondContact CG-OH 3.43Å; R232-L520 VanDerWaalsContact CZ-CD2 3.49Å; R232-I521 WeakPolarHBondContact CB-O 3.46Å; R232-I521 PolarHBondContact N-O 3.2Å; R232-G523 PolarHBondContact NE-O 3.2Å; R232-G523 PolarHBondContact NH2-O 3.15Å; R232-E528 IonicContact CZ-OE1 2.76Å; R232-E528 IonicContact CZ-OE2 2.83Å; R232-E528 IonicContact NH1-OE1 3.83Å; R232-E528 PolarHBondContact NH1-OE1 3.17Å; R232-E528 IonicContact NH2-OE1 2.7Å; R232-E528 PolarHBondContact NH2-OE1 3.5Å; R232-E528 IonicContact NH2-OE2 3.8Å; R232-E528 PolarHBondContact NH2-OE2 3.05Å; R232-F557 HydrophobicContact CG-CD2 4.29Å; R232-F557 HydrophobicContact CG-CE2 3.73Å
233S94Very high96.6Very high6 Ų67.2 Ų7.24%0.0424%0.042CC..G310 helixtrans-61.3-21.517659.10000114.4R162 D231 D235 Y443 G444 R449R162-S233 PolarHBondContact NH2-OG 3.37Å; D231-S233 PolarHBondContact O-N 3.35Å; D231-S233 VanDerWaalsContact O-N 3.07Å; D231-S233 PolarHBondContact OD1-N 3.44Å; D231-S233 PolarHBondContact OD1-OG 2.98Å; S233-D235 VanDerWaalsContact C-N 3.25Å; S233-Y443 WeakPolarHBondContact CB-O 3.43Å; S233-G444 VanDerWaalsContact O-CA 3.32Å; S233-G444 WeakPolarHBondContact O-CA 3.41Å; S233-R449 WeakPolarHBondContact O-CG 3.4Å
234D93.1Very high96.8Very high5 Ų57 Ų73%0.0274%0.04CC..G310 helixtrans-70.4-28.4176.4-143.227.4000111.5Q192 D231 R232 R449 G450 S451 L453 L483Q192-D234 VanDerWaalsContact NE2-CB 3.3Å; Q192-D234 PolarHBondContact NE2-OD2 2.86Å; D231-D234 PolarHBondContact O-N 3.03Å; R232-D234 PolarHBondContact O-N 2.96Å; R232-D234 VanDerWaalsContact O-N 3.1Å; D234-R449 WeakPolarHBondContact O-CD 3.24Å; D234-R449 VanDerWaalsContact OD1-CA 3.31Å; D234-R449 WeakPolarHBondContact OD1-CA 3.49Å; D234-R449 WeakPolarHBondContact OD1-CB 3.35Å; D234-G450 PolarHBondContact OD1-N 3.35Å; D234-S451 PolarHBondContact OD1-N 3.31Å; D234-S451 VanDerWaalsContact OD2-CB 3.23Å; D234-S451 WeakPolarHBondContact OD2-CB 3.39Å; D234-S451 PolarHBondContact OD2-OG 2.89Å; D234-L453 WeakPolarHBondContact O-CD1 3.33Å; D234-L453 WeakPolarHBondContact O-CD2 3.43Å; D234-L453 WeakPolarHBondContact O-CG 3.47Å; D234-L483 HydrophobicContact CB-CD2 4.05Å
235D95.9Very high96.9Very high8 Ų85.3 Ų5.34%0.0433%0.028CC..  trans-132.481.4179-172.41.8000113.2R232 S233 I237 T238 P239 L453 L483R232-D235 WeakPolarHBondContact CD-O 3.39Å; R232-D235 PolarHBondContact NH1-O 2.97Å; R232-D235 CarbonylContact O-C 3.44Å; R232-D235 PolarHBondContact O-N 2.83Å; S233-D235 VanDerWaalsContact C-N 3.25Å; D235-I237 VanDerWaalsContact C-N 3.33Å; D235-I237 PolarHBondContact OD1-N 3Å; D235-I237 VanDerWaalsContact OD1-N 3.09Å; D235-T238 VanDerWaalsContact CG-OG1 3.28Å; D235-T238 PolarHBondContact OD1-N 3.46Å; D235-T238 PolarHBondContact OD1-OG1 3.36Å; D235-T238 WeakPolarHBondContact OD2-CB 3.43Å; D235-T238 PolarHBondContact OD2-OG1 2.66Å; D235-P239 WeakPolarHBondContact O-CD 3.11Å; D235-L453 HydrophobicContact CB-CD2 3.78Å; D235-L483 HydrophobicContact CB-CB 4.05Å; D235-L483 HydrophobicContact CB-CD2 4.3Å; D235-L483 PolarHBondContact OD2-N 3.41Å
236A95.8Very high96.9Very high0 Ų04.8 Ų4.80%03%0.025CC..SBendtrans-83.7-3171.900000113.8L240 L407 Y443 F557A236-L240 VanDerWaalsContact O-CD1 3.25Å; A236-L240 WeakPolarHBondContact O-CD1 3.48Å; A236-L240 WeakPolarHBondContact O-CG 3.42Å; A236-L407 HydrophobicContact CB-CD1 4.02Å; A236-L407 HydrophobicContact CB-CD2 4.47Å; A236-Y443 HydrophobicContact CB-CD1 4.49Å; A236-F557 HydrophobicContact CB-CZ 3.93Å
237I96.3Very high96.9Very high7 Ų74.8 Ų4.84%0.0363%0.025CC..SBendtrans-84.1-52.5-177.7-67.6175.1000109.9D235 P239 L240 L241 A372 L404 L407 L453 I454D235-I237 VanDerWaalsContact C-N 3.33Å; D235-I237 PolarHBondContact OD1-N 3Å; D235-I237 VanDerWaalsContact OD1-N 3.09Å; I237-P239 VanDerWaalsContact C-CD 3.48Å; I237-L240 WeakPolarHBondContact O-CB 3.44Å; I237-L240 PolarHBondContact O-N 2.98Å; I237-L241 HydrophobicContact CG2-CD1 4.09Å; I237-L241 HydrophobicContact CG2-CD2 4.41Å; I237-L241 HydrophobicContact CG2-CG 4.23Å; I237-L241 PolarHBondContact O-N 3.06Å; I237-A372 HydrophobicContact CG2-CB 4.09Å; I237-L404 HydrophobicContact CB-CD2 4.49Å; I237-L404 HydrophobicContact CG1-CD2 4.48Å; I237-L404 HydrophobicContact CG2-CD2 3.94Å; I237-L407 HydrophobicContact CG1-CD1 4.23Å; I237-L453 HydrophobicContact CB-CD1 4.49Å; I237-L453 HydrophobicContact CD1-CB 4.21Å; I237-L453 HydrophobicContact CD1-CD1 3.84Å; I237-L453 HydrophobicContact CG1-CD1 3.92Å; I237-I454 HydrophobicContact CD1-CD1 4.22Å; I237-I454 HydrophobicContact CD1-CG1 4.2Å
238T97.7Very high96.9Very high0 Ų05 Ų50%03%0.026CC..G310 helixtrans-45.4-50.5-178.8-66.30000114.3D235 L240 L241 H480 P482 T525 E527 E528D235-T238 VanDerWaalsContact CG-OG1 3.28Å; D235-T238 PolarHBondContact OD1-N 3.46Å; D235-T238 PolarHBondContact OD1-OG1 3.36Å; D235-T238 WeakPolarHBondContact OD2-CB 3.43Å; D235-T238 PolarHBondContact OD2-OG1 2.66Å; T238-L240 PolarHBondContact O-N 2.82Å; T238-L241 PolarHBondContact O-N 2.82Å; T238-H480 PolarHBondContact OG1-CE1 2.83Å; T238-P482 HydrophobicContact CG2-CB 4.16Å; T238-P482 HydrophobicContact CG2-CG 4.01Å; T238-T525 HydrophobicContact CG2-CG2 4.06Å; T238-T525 WeakPolarHBondContact CG2-OG1 3.48Å; T238-E527 HydrophobicContact CG2-CB 4.23Å; T238-E527 HydrophobicContact CG2-CG 4.44Å; T238-E528 HydrophobicContact CG2-CG 4.2Å
239P98Very high96.8Very high4 Ų45 Ų53%0.0263%0.027CC..G310 helixtrans-72.6-9.9-178.531.4-39.9000114.8D235 I237 T525 T554 F557D235-P239 WeakPolarHBondContact O-CD 3.11Å; I237-P239 VanDerWaalsContact C-CD 3.48Å; P239-T525 HydrophobicContact CB-CG2 3.81Å; P239-T554 VanDerWaalsContact O-CA 3.25Å; P239-T554 WeakPolarHBondContact O-CA 3.21Å; P239-T554 PolarHBondContact O-N 3.49Å; P239-T554 PolarHBondContact O-OG1 3.41Å; P239-F557 HydrophobicContact CB-CB 3.87Å; P239-F557 HydrophobicContact CB-CD1 3.76Å; P239-F557 HydrophobicContact CB-CD2 4.01Å; P239-F557 HydrophobicContact CB-CE1 4.3Å; P239-F557 HydrophobicContact CB-CG 3.59Å; P239-F557 HydrophobicContact CG-CB 4.46Å; P239-F557 HydrophobicContact CG-CD1 3.53Å; P239-F557 HydrophobicContact CG-CD2 3.77Å; P239-F557 HydrophobicContact CG-CE1 3.55Å; P239-F557 HydrophobicContact CG-CE2 3.8Å; P239-F557 HydrophobicContact CG-CG 3.64Å; P239-F557 HydrophobicContact CG-CZ 3.69Å
240L98.2Very high96.8Very high0 Ų05 Ų50%03%0.027CC..G310 helixtrans-88.9-26.4177.7-67.7175.4000112.4A236 I237 T238 R400 M403 L404 L407 V440 T554 F557 L558A236-L240 VanDerWaalsContact O-CD1 3.25Å; A236-L240 WeakPolarHBondContact O-CD1 3.48Å; A236-L240 WeakPolarHBondContact O-CG 3.42Å; I237-L240 WeakPolarHBondContact O-CB 3.44Å; I237-L240 PolarHBondContact O-N 2.98Å; T238-L240 PolarHBondContact O-N 2.82Å; L240-R400 HydrophobicContact CB-CG 4.21Å; L240-R400 WeakPolarHBondContact O-CD 3.48Å; L240-R400 WeakPolarHBondContact O-CG 3.44Å; L240-R400 PolarHBondContact O-NE 3.18Å; L240-M403 HydrophobicContact CD1-CB 4.03Å; L240-M403 HydrophobicContact CD2-SD 4.09Å; L240-L404 HydrophobicContact CB-CD2 4.02Å; L240-L404 HydrophobicContact CB-CG 4.4Å; L240-L404 HydrophobicContact CD1-CD2 4.06Å; L240-L404 HydrophobicContact CD1-CG 4.38Å; L240-L407 HydrophobicContact CD1-CD1 3.86Å; L240-V440 HydrophobicContact CD1-CG1 4.23Å; L240-T554 HydrophobicContact CD2-CG2 4.18Å; L240-T554 PolarHBondContact O-OG1 2.96Å; L240-F557 HydrophobicContact CD2-CD1 3.88Å; L240-F557 HydrophobicContact CD2-CE1 3.94Å; L240-F557 HydrophobicContact CG-CD1 4.26Å; L240-F557 HydrophobicContact CG-CE1 4.01Å; L240-L558 HydrophobicContact CD2-CD2 3.95Å; L240-L558 HydrophobicContact CD2-CG 4.43Å
241L97.8Very high96.7Very high2 Ų25.3 Ų5.31%0.013%0.028CC..SBendtrans-71.8143.2-171.7-61.4173.9000112.5I237 T238 Q243 E368 A372 L404 H480I237-L241 HydrophobicContact CG2-CD1 4.09Å; I237-L241 HydrophobicContact CG2-CD2 4.41Å; I237-L241 HydrophobicContact CG2-CG 4.23Å; I237-L241 PolarHBondContact O-N 3.06Å; T238-L241 PolarHBondContact O-N 2.82Å; L241-Q243 PolarHBondContact O-NE2 3.44Å; L241-E368 HydrophobicContact CD2-CB 3.81Å; L241-A372 HydrophobicContact CD1-CB 4.38Å; L241-A372 HydrophobicContact CD2-CB 4.22Å; L241-L404 HydrophobicContact CD2-CD1 3.86Å; L241-L404 HydrophobicContact CD2-CD2 4.06Å; L241-H480 HydrophobicContact CD1-CB 3.65Å; L241-H480 WeakPolarHBondContact CD1-ND1 3.47Å
242N97.1Very high96.8Very high7 Ų76 Ų64%0.0373%0.031CC..  trans-58148.1164.9-83.4-71.4000110.8E368 R400N242-E368 VanDerWaalsContact CB-OE2 3.24Å; N242-E368 WeakPolarHBondContact CB-OE2 3.3Å; N242-E368 PolarHBondContact N-OE2 3.13Å; N242-E368 PolarHBondContact ND2-OE1 2.88Å; N242-E368 PolarHBondContact ND2-OE2 3.27Å; N242-R400 PolarHBondContact ND2-NH1 3.38Å; N242-R400 VanDerWaalsContact ND2-NH1 3.17Å
243Q96.9Very high96.8Very high22 Ų227.1 Ų7.110%0.1034%0.037CC..  trans-117.3137.2-171.9-61.5-59.5-4600110.7L241 A248 M249 E252 E527L241-Q243 PolarHBondContact O-NE2 3.44Å; Q243-A248 HydrophobicContact CB-CB 3.64Å; Q243-A248 HydrophobicContact CG-CB 3.94Å; Q243-M249 VanDerWaalsContact O-CB 3.28Å; Q243-M249 WeakPolarHBondContact O-CB 3.19Å; Q243-M249 VanDerWaalsContact O-CG 3.26Å; Q243-M249 WeakPolarHBondContact O-CG 3.42Å; Q243-E252 HydrophobicContact CB-CB 4.26Å; Q243-E252 HydrophobicContact CG-CB 4.24Å; Q243-E527 PolarHBondContact OE1-OE2 2.94Å
244W96.1Very high96.9Very high12 Ų128.3 Ų8.35%0.0454%0.043CC..  trans-122.33.4-173.6-62.7101.7000114.4M249 N293 F294 V356 L361 M362 S365 Y477 T478W244-M249 HydrophobicContact CE3-CE 4.08Å; W244-M249 HydrophobicContact CE3-SD 4.45Å; W244-M249 HydrophobicContact CZ3-CE 3.9Å; W244-N293 CarbonylContact O-C 3.56Å; W244-N293 VanDerWaalsContact O-CA 3.31Å; W244-N293 WeakPolarHBondContact O-CA 3.39Å; W244-F294 HydrophobicContact CE3-CB 4.07Å; W244-F294 HydrophobicContact CE3-CD1 4.32Å; W244-F294 HydrophobicContact CE3-CG 4.37Å; W244-F294 HydrophobicContact CZ3-CD1 4.19Å; W244-F294 PolarHBondContact O-N 3.03Å; W244-V356 HydrophobicContact CH2-CG1 4.12Å; W244-V356 HydrophobicContact CH2-CG2 4.16Å; W244-V356 HydrophobicContact CZ3-CG1 4.32Å; W244-V356 HydrophobicContact CZ3-CG2 3.97Å; W244-L361 HydrophobicContact CH2-CB 4.22Å; W244-L361 HydrophobicContact CZ2-CB 4.48Å; W244-M362 HydrophobicContact CH2-CG 4.31Å; W244-M362 HydrophobicContact CH2-SD 3.22Å; W244-M362 WeakPolarHBondContact CH2-SD 3.48Å; W244-M362 HydrophobicContact CZ2-SD 3.96Å; W244-M362 HydrophobicContact CZ3-SD 3.6Å; W244-M362 VanDerWaalsContact CZ3-SD 3.6Å; W244-S365 PolarHBondContact NE1-OG 3.34Å; W244-Y477 VanDerWaalsContact CD1-O 3.24Å; W244-T478 HydrophobicContact CB-CG2 3.95Å; W244-T478 HydrophobicContact CG-CG2 4.45Å
245T95.8Very high97.1Very high11 Ų119.3 Ų9.37%0.0675%0.054CC..BIsolated β-bridgetrans-94.9151.6168.960.60000110.8Q247 A248 M249 M292 L530T245-Q247 PolarHBondContact O-N 3.18Å; T245-A248 PolarHBondContact O-N 3.41Å; T245-A248 WeakPolarHBondContact OG1-CB 3.2Å; T245-M249 WeakPolarHBondContact O-CB 3.48Å; T245-M249 PolarHBondContact O-N 3.22Å; T245-M292 VanDerWaalsContact CA-O 3.3Å; T245-M292 WeakPolarHBondContact CA-O 3.46Å; T245-L530 HydrophobicContact CG2-CD2 3.64Å
246Y96.9Very high97Very high0 Ų09.3 Ų9.30%05%0.054CC..Hα-helixtrans-54.3-56.6-165.1-161.7-174000113.9A248 M249 V250 F285 Y286 N289 M292 I297 H345 V348 V349 L352Y246-A248 PolarHBondContact O-N 3.37Å; Y246-M249 PolarHBondContact O-N 3.39Å; Y246-V250 HydrophobicContact CD2-CG2 3.71Å; Y246-V250 HydrophobicContact CE2-CG2 3.66Å; Y246-V250 WeakPolarHBondContact O-CB 3.43Å; Y246-V250 VanDerWaalsContact O-CG2 3.26Å; Y246-V250 WeakPolarHBondContact O-CG2 3.39Å; Y246-V250 PolarHBondContact O-N 2.76Å; Y246-F285 HydrophobicContact CE1-CE1 4.23Å; Y246-Y286 AromaticContact CD1-CD2 3.88Å; Y246-Y286 HydrophobicContact CD1-CD2 3.88Å; Y246-Y286 HydrophobicContact CD1-CE2 4.05Å; Y246-Y286 AromaticContact CE1-CD2 3.76Å; Y246-Y286 HydrophobicContact CE1-CD2 3.76Å; Y246-Y286 HydrophobicContact CE1-CE2 4.2Å; Y246-Y286 HydrophobicContact CG-CE2 4.44Å; Y246-N289 VanDerWaalsContact CB-O 3.23Å; Y246-N289 WeakPolarHBondContact CB-O 3.36Å; Y246-N289 HydrophobicContact CD1-CB 3.91Å; Y246-N289 HydrophobicContact CE1-CB 4.39Å; Y246-M292 PolarHBondContact N-O 2.88Å; Y246-M292 VanDerWaalsContact N-O 3.09Å; Y246-I297 HydrophobicContact CD1-CD1 4.29Å; Y246-I297 HydrophobicContact CD2-CD1 3.88Å; Y246-I297 HydrophobicContact CG-CD1 3.59Å; Y246-I297 HydrophobicContact CG-CG1 4.29Å; Y246-H345 AromaticContact CE1-ND1 3.9Å; Y246-H345 AromaticContact CZ-ND1 3.7Å; Y246-H345 PolarHBondContact OH-ND1 2.75Å; Y246-V348 HydrophobicContact CE2-CG1 4.19Å; Y246-V349 HydrophobicContact CE2-CG2 3.78Å; Y246-L352 HydrophobicContact CD2-CD1 4.42Å; Y246-L352 HydrophobicContact CE2-CD1 4.24Å
247Q97.3Very high96.9Very high1 Ų114.1 Ų14.11%0.0058%0.079CC..Hα-helixtrans-62.6-44.2-177.4-177.3170.544.400111.8N133 T245 H251 L256 Y286 L290 Y526N133-Q247 PolarHBondContact ND2-NE2 3.42Å; N133-Q247 PolarHBondContact ND2-OE1 2.86Å; N133-Q247 PolarHBondContact OD1-NE2 2.99Å; T245-Q247 PolarHBondContact O-N 3.18Å; Q247-H251 PolarHBondContact O-N 2.8Å; Q247-L256 HydrophobicContact CG-CD2 4.27Å; Q247-Y286 WeakPolarHBondContact CG-OH 3.22Å; Q247-L290 HydrophobicContact CB-CD1 3.77Å; Q247-L290 HydrophobicContact CB-CG 4.1Å; Q247-L290 HydrophobicContact CG-CD1 4.1Å; Q247-L290 PolarHBondContact N-O 3.35Å; Q247-Y526 HydrophobicContact CG-CD1 3.56Å; Q247-Y526 HydrophobicContact CG-CD2 4.25Å; Q247-Y526 HydrophobicContact CG-CE1 3.64Å; Q247-Y526 HydrophobicContact CG-CE2 4.31Å; Q247-Y526 HydrophobicContact CG-CG 3.88Å; Q247-Y526 VanDerWaalsContact NE2-CE1 3.29Å
248A97.7Very high96.6Very high4 Ų415.4 Ų15.43%0.0339%0.087CC..Hα-helixtrans-67.5-43.1-177.900000111.5Q243 T245 Y246 H251 E252Q243-A248 HydrophobicContact CB-CB 3.64Å; Q243-A248 HydrophobicContact CG-CB 3.94Å; T245-A248 PolarHBondContact O-N 3.41Å; T245-A248 WeakPolarHBondContact OG1-CB 3.2Å; Y246-A248 PolarHBondContact O-N 3.37Å; A248-H251 PolarHBondContact O-N 3.22Å; A248-E252 WeakPolarHBondContact O-CB 3.4Å; A248-E252 PolarHBondContact O-N 3Å
249M97.8Very high96.4Very high2 Ų215.9 Ų15.91%0.019%0.089CC..Hα-helixtrans-65.7-41.3178-170-177.7-170.400112.1Q243 W244 T245 Y246 H251 E252 L253 F294 L352 V356Q243-M249 VanDerWaalsContact O-CB 3.28Å; Q243-M249 WeakPolarHBondContact O-CB 3.19Å; Q243-M249 VanDerWaalsContact O-CG 3.26Å; Q243-M249 WeakPolarHBondContact O-CG 3.42Å; W244-M249 HydrophobicContact CE3-CE 4.08Å; W244-M249 HydrophobicContact CE3-SD 4.45Å; W244-M249 HydrophobicContact CZ3-CE 3.9Å; T245-M249 WeakPolarHBondContact O-CB 3.48Å; T245-M249 PolarHBondContact O-N 3.22Å; Y246-M249 PolarHBondContact O-N 3.39Å; M249-H251 VanDerWaalsContact C-N 3.34Å; M249-E252 PolarHBondContact O-N 3.2Å; M249-L253 HydrophobicContact CE-CD1 3.85Å; M249-L253 HydrophobicContact CG-CD1 4.05Å; M249-L253 HydrophobicContact CG-CG 4.47Å; M249-L253 WeakPolarHBondContact O-CB 3.37Å; M249-L253 PolarHBondContact O-N 3.14Å; M249-F294 HydrophobicContact CE-CD1 4.29Å; M249-F294 HydrophobicContact CE-CD2 3.79Å; M249-F294 HydrophobicContact CE-CE1 4.29Å; M249-F294 HydrophobicContact CE-CE2 3.79Å; M249-F294 HydrophobicContact CE-CG 4.05Å; M249-F294 HydrophobicContact CE-CZ 4.05Å; M249-F294 HydrophobicContact SD-CB 4.2Å; M249-F294 HydrophobicContact SD-CD2 3.34Å; M249-F294 WeakPolarHBondContact SD-CD2 3.45Å; M249-F294 HydrophobicContact SD-CE2 3.8Å; M249-F294 HydrophobicContact SD-CG 3.83Å; M249-L352 HydrophobicContact CE-CB 4.13Å; M249-L352 HydrophobicContact CG-CD1 4.32Å; M249-L352 HydrophobicContact CG-CD2 4.27Å; M249-L352 HydrophobicContact SD-CB 4.47Å; M249-L352 HydrophobicContact SD-CD1 4.1Å; M249-V356 HydrophobicContact CE-CG2 3.31Å
250V97.9Very high96.2Very high0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-59.9-46.3173.3168.60000110.5Y246 L254 G255 L256 I261 L278 V348 L352Y246-V250 HydrophobicContact CD2-CG2 3.71Å; Y246-V250 HydrophobicContact CE2-CG2 3.66Å; Y246-V250 WeakPolarHBondContact O-CB 3.43Å; Y246-V250 VanDerWaalsContact O-CG2 3.26Å; Y246-V250 WeakPolarHBondContact O-CG2 3.39Å; Y246-V250 PolarHBondContact O-N 2.76Å; V250-L254 WeakPolarHBondContact O-CA 3.41Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 PolarHBondContact O-N 3.26Å; V250-G255 PolarHBondContact O-N 3.36Å; V250-G255 VanDerWaalsContact O-N 3.14Å; V250-L256 HydrophobicContact CG1-CD1 4.48Å; V250-I261 HydrophobicContact CG1-CG2 3.66Å; V250-L278 HydrophobicContact CG1-CD1 3.75Å; V250-L278 HydrophobicContact CG2-CD1 4.43Å; V250-V348 HydrophobicContact CG2-CG1 3.91Å; V250-L352 HydrophobicContact CG2-CD1 3.94Å
251H98Very high96.1Very high15 Ų1520.2 Ų20.27%0.06911%0.105CC..Hα-helixtrans-67.4-37.6179.3-174.268000112.7Q247 A248 M249 G255 L256 Y526 I551 H552 N553Q247-H251 PolarHBondContact O-N 2.8Å; A248-H251 PolarHBondContact O-N 3.22Å; M249-H251 VanDerWaalsContact C-N 3.34Å; H251-G255 WeakPolarHBondContact O-CA 3.34Å; H251-G255 PolarHBondContact O-N 3.12Å; H251-L256 HydrophobicContact CB-CB 3.86Å; H251-L256 PolarHBondContact CE1-O 3.11Å; H251-L256 VanDerWaalsContact CE1-O 3.26Å; H251-L256 WeakPolarHBondContact ND1-CB 3.35Å; H251-L256 PolarHBondContact ND1-N 3.35Å; H251-L256 VanDerWaalsContact ND1-N 3.11Å; H251-L256 PolarHBondContact ND1-O 3.36Å; H251-Y526 HydrophobicContact CB-CD2 3.51Å; H251-Y526 HydrophobicContact CB-CE2 3.52Å; H251-Y526 AromaticContact CD2-CD2 3.7Å; H251-Y526 AromaticContact CD2-CE2 3.74Å; H251-Y526 AromaticContact CG-CD2 3.66Å; H251-Y526 AromaticContact CG-CE2 3.43Å; H251-Y526 VanDerWaalsContact CG-CE2 3.43Å; H251-Y526 AromaticContact ND1-CE2 3.85Å; H251-I551 PolarHBondContact NE2-O 3.5Å; H251-H552 VanDerWaalsContact NE2-C 3.32Å; H251-N553 PolarHBondContact CD2-N 3.4Å; H251-N553 PolarHBondContact NE2-N 3.02Å; H251-N553 PolarHBondContact O-ND2 3.36Å
252E98Very high95.9Very high20 Ų2024.3 Ų24.39%0.09313%0.127CC..Hα-helixtrans-66.8-45.1178.5-179.554.6-147.400112.4Q243 A248 M249 R400 N553 T554Q243-E252 HydrophobicContact CB-CB 4.26Å; Q243-E252 HydrophobicContact CG-CB 4.24Å; A248-E252 WeakPolarHBondContact O-CB 3.4Å; A248-E252 PolarHBondContact O-N 3Å; M249-E252 PolarHBondContact O-N 3.2Å; E252-R400 IonicContact OE1-CZ 3.75Å; E252-R400 IonicContact OE1-NH2 3.84Å; E252-R400 PolarHBondContact OE1-NH2 3.45Å; E252-N553 WeakPolarHBondContact OE2-CB 3.43Å; E252-T554 VanDerWaalsContact CD-OG1 3.29Å; E252-T554 WeakPolarHBondContact OE1-CB 3.12Å; E252-T554 PolarHBondContact OE1-OG1 3.2Å; E252-T554 PolarHBondContact OE2-N 3.14Å; E252-T554 PolarHBondContact OE2-OG1 3.38Å; E252-T554 VanDerWaalsContact OE2-OG1 3.14Å
253L96.9Very high95.7Very high24 Ų2424.1 Ų24.113%0.12613%0.126CC..Hα-helixtrans-95.7-32.4-172.4-60.1-174.5000114.5M249 L352 L355 V356 L361M249-L253 HydrophobicContact CE-CD1 3.85Å; M249-L253 HydrophobicContact CG-CD1 4.05Å; M249-L253 HydrophobicContact CG-CG 4.47Å; M249-L253 WeakPolarHBondContact O-CB 3.37Å; M249-L253 PolarHBondContact O-N 3.14Å; L253-L352 HydrophobicContact CB-CD2 3.96Å; L253-L352 HydrophobicContact CD1-CD2 4.02Å; L253-L352 HydrophobicContact CG-CD2 4.48Å; L253-L355 HydrophobicContact CB-CD1 4.01Å; L253-L355 HydrophobicContact CD1-CB 4.36Å; L253-V356 HydrophobicContact CD1-CG2 4.38Å; L253-L361 HydrophobicContact CD1-CD1 3.94Å; L253-L361 HydrophobicContact CD2-CD1 3.64Å; L253-L361 HydrophobicContact CG-CD1 4.47Å
254L96.7Very high95.5Very high31 Ų3125.8 Ų25.816%0.16214%0.14CC..THydrogen-bonded Turntrans-113.8-19.6-174.2-55.4176.1000113V250 I261 L263 V348 E351 L352 L355V250-L254 WeakPolarHBondContact O-CA 3.41Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 PolarHBondContact O-N 3.26Å; L254-I261 HydrophobicContact CD1-CD1 4.33Å; L254-L263 HydrophobicContact CD1-CD2 4.08Å; L254-L263 HydrophobicContact CD2-CD2 4.33Å; L254-V348 HydrophobicContact CD1-CG1 4.07Å; L254-E351 HydrophobicContact CD2-CG 3.76Å; L254-L352 HydrophobicContact CD1-CD2 3.76Å; L254-L352 HydrophobicContact CD1-CG 4.32Å; L254-L352 HydrophobicContact CG-CD2 3.9Å; L254-L355 HydrophobicContact CD2-CD1 3.75Å
255G95.9Very high95.1Very high26 Ų2635.8 Ų35.827%0.26818%0.178SC..  trans76.5105.1-177.100000111.9V250 H251V250-G255 PolarHBondContact O-N 3.36Å; V250-G255 VanDerWaalsContact O-N 3.14Å; H251-G255 WeakPolarHBondContact O-CA 3.34Å; H251-G255 PolarHBondContact O-N 3.12Å
256L94.7Very high94.8Very high8 Ų835.8 Ų35.84%0.04218%0.178CC..  trans-96.6112.6175.2-17067.5000110Q247 V250 H251 I261 L278 Y526Q247-L256 HydrophobicContact CG-CD2 4.27Å; V250-L256 HydrophobicContact CG1-CD1 4.48Å; H251-L256 HydrophobicContact CB-CB 3.86Å; H251-L256 PolarHBondContact CE1-O 3.11Å; H251-L256 VanDerWaalsContact CE1-O 3.26Å; H251-L256 WeakPolarHBondContact ND1-CB 3.35Å; H251-L256 PolarHBondContact ND1-N 3.35Å; H251-L256 VanDerWaalsContact ND1-N 3.11Å; H251-L256 PolarHBondContact ND1-O 3.36Å; L256-I261 HydrophobicContact CB-CG2 4.43Å; L256-I261 HydrophobicContact CD1-CG2 3.55Å; L256-L278 HydrophobicContact CD1-CB 4.36Å; L256-L278 HydrophobicContact CD1-CD1 4.26Å; L256-Y526 HydrophobicContact CD2-CE2 4.21Å
257N92.9Very high94.2Very high100 Ų10040 Ų4054%0.53521%0.205SC..BIsolated β-bridgetrans-120.6116.8178.2-178.117.8000109.9N259 R260N257-N259 VanDerWaalsContact C-N 3.27Å; N257-N259 PolarHBondContact O-N 3.31Å; N257-R260 PolarHBondContact N-O 2.9Å; N257-R260 WeakPolarHBondContact O-CA 3.49Å; N257-R260 WeakPolarHBondContact O-CB 3.23Å; N257-R260 PolarHBondContact O-N 3.24Å
258N91.3Very high93.5Very high35 Ų3543.8 Ų43.819%0.18725%0.245CC..THydrogen-bonded Turntrans47.348.5-176.7-62.9-20.9000112.9S33 V37 R260S33-N258 WeakPolarHBondContact CB-ND2 3.37Å; S33-N258 PolarHBondContact OG-ND2 3.02Å; V37-N258 HydrophobicContact CG2-CB 3.79Å; N258-R260 PolarHBondContact O-N 3.12Å
259N92Very high93Very high9 Ų945.1 Ų45.15%0.04825%0.251CS..THydrogen-bonded Turntrans63.416.1-176.5-67-13000115.4N257 V277 L278N257-N259 VanDerWaalsContact C-N 3.27Å; N257-N259 PolarHBondContact O-N 3.31Å; N259-V277 CarbonylContact O-C 3.55Å; N259-V277 WeakPolarHBondContact O-CA 3.49Å; N259-L278 VanDerWaalsContact CB-O 3.27Å; N259-L278 WeakPolarHBondContact CB-O 3.3Å; N259-L278 PolarHBondContact O-N 3.16Å
260R94.1Very high92.3Very high94 Ų9446.7 Ų46.736%0.35526%0.262SS..EExtended strand (participates in β ladder)trans-115.1143177.3-58.7179.5179.4-105-6.2111.7N257 N258 E275 V276 V277N257-R260 PolarHBondContact N-O 2.9Å; N257-R260 WeakPolarHBondContact O-CA 3.49Å; N257-R260 WeakPolarHBondContact O-CB 3.23Å; N257-R260 PolarHBondContact O-N 3.24Å; N258-R260 PolarHBondContact O-N 3.12Å; R260-E275 HydrophobicContact CB-CG 4.44Å; R260-E275 WeakPolarHBondContact CD-OE1 3.35Å; R260-E275 IonicContact NH1-OE1 3.34Å; R260-E275 IonicContact NH1-OE2 2.73Å; R260-E275 PolarHBondContact NH1-OE2 3.03Å; R260-V276 WeakPolarHBondContact CA-O 3.48Å; R260-V277 HydrophobicContact CG-CG2 4.28Å
261I95.3Very high91.7Very high2 Ų254.7 Ų54.71%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-122143.9170.563.4178000109.8V250 L254 L256 L263 E275 V276 L278 V348V250-I261 HydrophobicContact CG1-CG2 3.66Å; L254-I261 HydrophobicContact CD1-CD1 4.33Å; L256-I261 HydrophobicContact CB-CG2 4.43Å; L256-I261 HydrophobicContact CD1-CG2 3.55Å; I261-L263 HydrophobicContact CD1-CD1 4.26Å; I261-L263 HydrophobicContact CD1-CD2 3.98Å; I261-L263 HydrophobicContact CD1-CG 4.16Å; I261-L263 HydrophobicContact CG1-CD2 4.37Å; I261-L263 HydrophobicContact CG1-CG 4.28Å; I261-E275 WeakPolarHBondContact O-CA 3.38Å; I261-V276 HydrophobicContact CD1-CB 3.94Å; I261-V276 HydrophobicContact CD1-CG1 4.11Å; I261-V276 HydrophobicContact CG1-CB 3.64Å; I261-V276 HydrophobicContact CG1-CG1 4.18Å; I261-V276 PolarHBondContact N-O 3.23Å; I261-V276 PolarHBondContact O-N 2.81Å; I261-L278 HydrophobicContact CD1-CD1 4.06Å; I261-L278 HydrophobicContact CG2-CD1 4.19Å; I261-V348 HydrophobicContact CD1-CG1 4.35Å; I261-V348 HydrophobicContact CD1-CG2 3.55Å
262D93.9Very high90.9Very high88 Ų8860.9 Ų60.947%0.47133%0.33SS..EExtended strand (participates in β ladder)trans-102.2110.1175.5178.212.3000109.7S264D262-S264 VanDerWaalsContact CG-OG 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.21Å; D262-S264 PolarHBondContact OD1-N 3.29Å; D262-S264 PolarHBondContact OD1-OG 2.94Å; D262-S264 PolarHBondContact OD2-OG 2.64Å; D262-S264 VanDerWaalsContact OD2-OG 3.12Å
263L94.1Very high90.4Very high2 Ų261 Ų611%0.0133%0.332CS..  trans-100.310.4176.2-56.3-177.9000112.1L254 I261 R265 V266 I269 L273 R274 V276 T347 V348L254-L263 HydrophobicContact CD1-CD2 4.08Å; L254-L263 HydrophobicContact CD2-CD2 4.33Å; I261-L263 HydrophobicContact CD1-CD1 4.26Å; I261-L263 HydrophobicContact CD1-CD2 3.98Å; I261-L263 HydrophobicContact CD1-CG 4.16Å; I261-L263 HydrophobicContact CG1-CD2 4.37Å; I261-L263 HydrophobicContact CG1-CG 4.28Å; L263-R265 PolarHBondContact O-N 2.63Å; L263-V266 HydrophobicContact CB-CB 4.43Å; L263-V266 HydrophobicContact CB-CG2 3.89Å; L263-V266 HydrophobicContact CD2-CG2 4.01Å; L263-V266 VanDerWaalsContact O-CB 3.25Å; L263-V266 WeakPolarHBondContact O-CB 3.36Å; L263-V266 WeakPolarHBondContact O-CG2 3.41Å; L263-V266 PolarHBondContact O-N 3.4Å; L263-I269 HydrophobicContact CB-CD1 4.3Å; L263-I269 HydrophobicContact CB-CG1 4.1Å; L263-I269 HydrophobicContact CD1-CD1 4.31Å; L263-I269 WeakPolarHBondContact O-CG2 3.34Å; L263-L273 WeakPolarHBondContact CB-O 3.45Å; L263-R274 PolarHBondContact N-O 2.95Å; L263-V276 HydrophobicContact CD1-CG2 3.88Å; L263-T347 HydrophobicContact CD1-CG2 4.14Å; L263-V348 HydrophobicContact CD1-CG2 4.34Å
264S91.6Very high90.1Very high58 Ų5866 Ų6641%0.40635%0.349SS..THydrogen-bonded Turntrans-57.3-24.2-178.763.40000114.2D262 R274D262-S264 VanDerWaalsContact CG-OG 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.21Å; D262-S264 PolarHBondContact OD1-N 3.29Å; D262-S264 PolarHBondContact OD1-OG 2.94Å; D262-S264 PolarHBondContact OD2-OG 2.64Å; D262-S264 VanDerWaalsContact OD2-OG 3.12Å; S264-R274 PolarHBondContact N-O 2.85Å
265R88.1Confident89.9Confident222 Ų22269.8 Ų69.884%0.83837%0.366SS*.THydrogen-bonded Turntrans-86.8-7177.7-56.1-177.3-169.8-161.3-0.3113.5L263L263-R265 PolarHBondContact O-N 2.63Å
266V89.1Confident89.7Confident10 Ų1068.9 Ų68.96%0.06136%0.355CS..SBendtrans-74.9125.6-179.9177.40000109.4L263 G268 I269 E351L263-V266 HydrophobicContact CB-CB 4.43Å; L263-V266 HydrophobicContact CB-CG2 3.89Å; L263-V266 HydrophobicContact CD2-CG2 4.01Å; L263-V266 VanDerWaalsContact O-CB 3.25Å; L263-V266 WeakPolarHBondContact O-CB 3.36Å; L263-V266 WeakPolarHBondContact O-CG2 3.41Å; L263-V266 PolarHBondContact O-N 3.4Å; V266-G268 PolarHBondContact O-N 2.87Å; V266-I269 HydrophobicContact CB-CB 4.15Å; V266-I269 HydrophobicContact CG1-CB 4.48Å; V266-I269 WeakPolarHBondContact O-CB 3.35Å; V266-I269 WeakPolarHBondContact O-CG2 3.43Å; V266-I269 PolarHBondContact O-N 3.47Å; V266-E351 HydrophobicContact CG1-CG 4.43Å; V266-E351 WeakPolarHBondContact CG1-OE2 3.17Å; V266-E351 HydrophobicContact CG2-CG 3.74Å
267P84.3Confident89.5Confident88 Ų8871.4 Ų71.457%0.57137%0.371SS*.THydrogen-bonded Turntrans-58.5130.7178.5-24.233.9000112I269P267-I269 VanDerWaalsContact C-N 3.29Å; P267-I269 PolarHBondContact O-N 3.22Å
268G83.6Confident89.5Confident82 Ų8266.7 Ų66.785%0.84535%0.345SS*.THydrogen-bonded Turntrans73.412.4176.200000115.4V266V266-G268 PolarHBondContact O-N 2.87Å
269I87.3Confident89.4Confident32 Ų3265.4 Ų65.416%0.16434%0.339CS..  trans-65136.9-179.8-161.562.4000112L263 V266 P267 L273 R274 T347L263-I269 HydrophobicContact CB-CD1 4.3Å; L263-I269 HydrophobicContact CB-CG1 4.1Å; L263-I269 HydrophobicContact CD1-CD1 4.31Å; L263-I269 WeakPolarHBondContact O-CG2 3.34Å; V266-I269 HydrophobicContact CB-CB 4.15Å; V266-I269 HydrophobicContact CG1-CB 4.48Å; V266-I269 WeakPolarHBondContact O-CB 3.35Å; V266-I269 WeakPolarHBondContact O-CG2 3.43Å; V266-I269 PolarHBondContact O-N 3.47Å; P267-I269 VanDerWaalsContact C-N 3.29Å; P267-I269 PolarHBondContact O-N 3.22Å; I269-L273 HydrophobicContact CD1-CB 3.76Å; I269-L273 HydrophobicContact CG1-CB 4.06Å; I269-R274 HydrophobicContact CG2-CG 4.21Å; I269-T347 HydrophobicContact CD1-CG2 3.56Å
270S82.9Confident89.3Confident34 Ų3466.2 Ų66.224%0.23835%0.347CS..  trans-68.9151.5173.158.30000110.9D272 L273 R274S270-D272 PolarHBondContact O-N 3.4Å; S270-L273 PolarHBondContact O-N 3.15Å; S270-L273 WeakPolarHBondContact OG-CD1 3.43Å; S270-L273 WeakPolarHBondContact OG-CG 3.24Å; S270-R274 PolarHBondContact O-N 3.14Å
271K84.3Confident88.9Confident168 Ų16865.8 Ų65.873%0.7335%0.349SS*.G310 helixtrans-55-38.6178.1-69-175.3-179.2179.20112.1L273 R274K271-L273 PolarHBondContact O-N 2.85Å; K271-R274 WeakPolarHBondContact O-CG 3.5Å; K271-R274 PolarHBondContact O-N 3.38Å
272D82.8Confident88.4Confident145 Ų14569.4 Ų69.478%0.77537%0.368SS*.G310 helixtrans-71.9-15.3-178-49.8-30000113.9S270S270-D272 PolarHBondContact O-N 3.4Å
273L86.4Confident88.2Confident23 Ų2365.5 Ų65.512%0.1235%0.348CS..G310 helixtrans-111.310.8179.6-65.7176000112.4L263 I269 S270 K271 E275 V276 T347L263-L273 WeakPolarHBondContact CB-O 3.45Å; I269-L273 HydrophobicContact CD1-CB 3.76Å; I269-L273 HydrophobicContact CG1-CB 4.06Å; S270-L273 PolarHBondContact O-N 3.15Å; S270-L273 WeakPolarHBondContact OG-CD1 3.43Å; S270-L273 WeakPolarHBondContact OG-CG 3.24Å; K271-L273 PolarHBondContact O-N 2.85Å; L273-E275 VanDerWaalsContact C-N 3.29Å; L273-E275 PolarHBondContact O-N 3.23Å; L273-V276 HydrophobicContact CB-CG2 4.46Å; L273-V276 HydrophobicContact CD2-CG2 4.12Å; L273-T347 HydrophobicContact CD1-CG2 4.22Å
274R90.3Very high88.1Confident129 Ų12972.7 Ų72.749%0.48738%0.381SS..SBendtrans-63.3-36.9176.1-75.2-179.2175.6-168.9-3.3112.4L263 S264 I269 S270 K271L263-R274 PolarHBondContact N-O 2.95Å; S264-R274 PolarHBondContact N-O 2.85Å; I269-R274 HydrophobicContact CG2-CG 4.21Å; S270-R274 PolarHBondContact O-N 3.14Å; K271-R274 WeakPolarHBondContact O-CG 3.5Å; K271-R274 PolarHBondContact O-N 3.38Å
275E92Very high88.1Confident111 Ų11171 Ų7152%0.51937%0.367SS..EExtended strand (participates in β ladder)trans-122.4128.7171.6-170.6-178.1-129.300108.1R260 I261 L273R260-E275 HydrophobicContact CB-CG 4.44Å; R260-E275 WeakPolarHBondContact CD-OE1 3.35Å; R260-E275 IonicContact NH1-OE1 3.34Å; R260-E275 IonicContact NH1-OE2 2.73Å; R260-E275 PolarHBondContact NH1-OE2 3.03Å; I261-E275 WeakPolarHBondContact O-CA 3.38Å; L273-E275 VanDerWaalsContact C-N 3.29Å; L273-E275 PolarHBondContact O-N 3.23Å
276V92.1Very high88.3Confident6 Ų660.5 Ų60.54%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-123.7133.1-178.2168.30000109.7R260 I261 L263 L273 L278 K344 V348R260-V276 WeakPolarHBondContact CA-O 3.48Å; I261-V276 HydrophobicContact CD1-CB 3.94Å; I261-V276 HydrophobicContact CD1-CG1 4.11Å; I261-V276 HydrophobicContact CG1-CB 3.64Å; I261-V276 HydrophobicContact CG1-CG1 4.18Å; I261-V276 PolarHBondContact N-O 3.23Å; I261-V276 PolarHBondContact O-N 2.81Å; L263-V276 HydrophobicContact CD1-CG2 3.88Å; L273-V276 HydrophobicContact CB-CG2 4.46Å; L273-V276 HydrophobicContact CD2-CG2 4.12Å; V276-L278 HydrophobicContact CG1-CD2 4.19Å; V276-L278 HydrophobicContact CG1-CG 4.3Å; V276-K344 HydrophobicContact CG1-CD 3.61Å; V276-K344 HydrophobicContact CG1-CG 3.36Å; V276-V348 HydrophobicContact CG1-CG2 4.42Å
277V91.9Very high88.5Confident62 Ų6262 Ų6238%0.37634%0.34SS..EExtended strand (participates in β ladder)trans-96.7126.9174.9-173.10000110.3N259 R260 K344N259-V277 CarbonylContact O-C 3.55Å; N259-V277 WeakPolarHBondContact O-CA 3.49Å; R260-V277 HydrophobicContact CG-CG2 4.28Å; V277-K344 PolarHBondContact O-NZ 3.4Å
278L92.7Very high88.9Confident0 Ų062.7 Ų62.70%034%0.339CS..  trans-118.893.3177.3-64176.4000109.6V250 L256 N259 I261 V276 Y286 K344V250-L278 HydrophobicContact CG1-CD1 3.75Å; V250-L278 HydrophobicContact CG2-CD1 4.43Å; L256-L278 HydrophobicContact CD1-CB 4.36Å; L256-L278 HydrophobicContact CD1-CD1 4.26Å; N259-L278 VanDerWaalsContact CB-O 3.27Å; N259-L278 WeakPolarHBondContact CB-O 3.3Å; N259-L278 PolarHBondContact O-N 3.16Å; I261-L278 HydrophobicContact CD1-CD1 4.06Å; I261-L278 HydrophobicContact CG2-CD1 4.19Å; V276-L278 HydrophobicContact CG1-CD2 4.19Å; V276-L278 HydrophobicContact CG1-CG 4.3Å; L278-Y286 HydrophobicContact CB-CD1 4.21Å; L278-Y286 HydrophobicContact CB-CE1 3.86Å; L278-Y286 HydrophobicContact CB-CE2 4.2Å; L278-Y286 HydrophobicContact CD1-CE2 4.28Å; L278-Y286 HydrophobicContact CD2-CD2 4.29Å; L278-Y286 HydrophobicContact CD2-CE2 4.47Å; L278-K344 HydrophobicContact CD2-CD 3.94Å
279S89.4Confident89.4Confident9 Ų959.1 Ų59.16%0.06330%0.301CS..  trans-124.3121.9-179.6173.70000110.2E281 N282 D283S279-E281 PolarHBondContact O-N 3.25Å; S279-E281 PolarHBondContact OG-N 3.15Å; S279-N282 PolarHBondContact O-N 3.19Å; S279-D283 VanDerWaalsContact O-CB 3.22Å; S279-D283 WeakPolarHBondContact O-CB 3.3Å; S279-D283 PolarHBondContact O-N 3.18Å
280A89.7Confident89.7Confident26 Ų2658.1 Ų58.122%0.21530%0.296CS..THydrogen-bonded Turntrans-65.1-19.9179.300000112.9Y286 A287A280-Y286 HydrophobicContact CB-CD1 4.36Å; A280-A287 HydrophobicContact CB-CB 4.03Å; A280-A287 WeakPolarHBondContact O-CB 3.09Å
281E85.2Confident90.2Very high84 Ų8458 Ų5839%0.39329%0.29SS..THydrogen-bonded Turntrans-75-27.4178.4-66.1-71.8123.700112.7T4 K8 S279T4-E281 HydrophobicContact CG2-CG 4.01Å; K8-E281 IonicContact NZ-OE2 3.35Å; K8-E281 PolarHBondContact NZ-OE2 3.49Å; S279-E281 PolarHBondContact O-N 3.25Å; S279-E281 PolarHBondContact OG-N 3.15Å
282N84.4Confident90.7Very high78 Ų7853 Ų5342%0.41727%0.27SS..THydrogen-bonded Turntrans-120.6-2.4-171.8-59.5-56.8000113.3T40 S279T40-N282 HydrophobicContact CG2-CB 4.29Å; T40-N282 WeakPolarHBondContact CG2-ND2 3.4Å; S279-N282 PolarHBondContact O-N 3.19Å
283D90.1Very high91.1Very high7 Ų748.4 Ų48.44%0.03725%0.246CC..  trans-133.694.7-176.2-164.5-36.4000109.4S279 F285 Y286 A287 K344 H345S279-D283 VanDerWaalsContact O-CB 3.22Å; S279-D283 WeakPolarHBondContact O-CB 3.3Å; S279-D283 PolarHBondContact O-N 3.18Å; D283-F285 VanDerWaalsContact C-N 3.28Å; D283-F285 PolarHBondContact O-N 3.28Å; D283-F285 PolarHBondContact OD1-N 3.02Å; D283-Y286 PolarHBondContact O-N 2.93Å; D283-Y286 PolarHBondContact OD1-N 2.9Å; D283-Y286 VanDerWaalsContact OD1-N 3.12Å; D283-A287 PolarHBondContact O-N 3.07Å; D283-K344 IonicContact OD2-NZ 3.93Å; D283-K344 PolarHBondContact OD2-NZ 3.24Å; D283-H345 IonicContact OD1-NE2 2.95Å; D283-H345 PolarHBondContact OD1-NE2 3.45Å; D283-H345 IonicContact OD2-CE1 3.65Å; D283-H345 IonicContact OD2-NE2 3.77Å; D283-H345 PolarHBondContact OD2-NE2 3.07Å; D283-H345 VanDerWaalsContact OD2-NE2 3.12Å
284E90.8Very high91.3Very high152 Ų15249 Ų4971%0.7125%0.248SC*.Hα-helixtrans-61.7-36.1-176.8-174.1-178.2-176.500112.2A287 N288E284-A287 PolarHBondContact O-N 3.05Å; E284-N288 WeakPolarHBondContact O-CB 3.4Å; E284-N288 PolarHBondContact O-N 3.33Å; E284-N288 PolarHBondContact O-ND2 2.73Å
285F91.7Very high91.2Very high23 Ų2345.2 Ų45.210%0.10125%0.248CC..Hα-helixtrans-63.4-47.7175.8-179.1-88.1000110.1Y246 D283 N288 N289 N300 I301 L304 T341 H345Y246-F285 HydrophobicContact CE1-CE1 4.23Å; D283-F285 VanDerWaalsContact C-N 3.28Å; D283-F285 PolarHBondContact O-N 3.28Å; D283-F285 PolarHBondContact OD1-N 3.02Å; F285-N288 PolarHBondContact O-N 3.41Å; F285-N289 HydrophobicContact CE1-CB 4.39Å; F285-N289 WeakPolarHBondContact CE2-ND2 3.49Å; F285-N289 WeakPolarHBondContact O-CB 3.48Å; F285-N289 PolarHBondContact O-N 2.86Å; F285-N289 VanDerWaalsContact O-N 3.13Å; F285-N289 PolarHBondContact O-ND2 3.21Å; F285-N300 HydrophobicContact CE2-CB 4.42Å; F285-N300 HydrophobicContact CZ-CB 4.5Å; F285-I301 HydrophobicContact CE1-CG1 4.14Å; F285-I301 HydrophobicContact CE2-CG1 4.47Å; F285-I301 HydrophobicContact CZ-CD1 4.46Å; F285-I301 HydrophobicContact CZ-CG1 3.55Å; F285-L304 HydrophobicContact CD2-CD1 4.27Å; F285-L304 HydrophobicContact CD2-CD2 3.69Å; F285-L304 HydrophobicContact CD2-CG 4.37Å; F285-L304 HydrophobicContact CE2-CB 4.15Å; F285-L304 HydrophobicContact CE2-CD2 3.78Å; F285-L304 HydrophobicContact CE2-CG 4.41Å; F285-L304 HydrophobicContact CG-CD2 4.27Å; F285-L304 HydrophobicContact CZ-CD2 4.45Å; F285-T341 HydrophobicContact CB-CG2 3.75Å; F285-H345 HydrophobicContact CD1-CB 4.05Å; F285-H345 AromaticContact CD1-CD2 3.22Å; F285-H345 WeakPolarHBondContact CD1-CD2 3.12Å; F285-H345 AromaticContact CD1-CE1 3.99Å; F285-H345 AromaticContact CD1-CG 3.5Å; F285-H345 VanDerWaalsContact CD1-CG 3.5Å; F285-H345 AromaticContact CD1-ND1 3.98Å; F285-H345 AromaticContact CD1-NE2 3.56Å; F285-H345 HydrophobicContact CE1-CB 3.85Å; F285-H345 AromaticContact CE1-CD2 3.94Å; F285-H345 AromaticContact CE1-CG 3.74Å; F285-H345 AromaticContact CG-CD2 3.9Å
286Y93.4Very high91.1Very high1 Ų142.3 Ų42.30%0.00423%0.234CC..Hα-helixtrans-62.2-43.9177-171.6-121.4000112Y246 Q247 L278 A280 D283 N288 N289 L290Y246-Y286 AromaticContact CD1-CD2 3.88Å; Y246-Y286 HydrophobicContact CD1-CD2 3.88Å; Y246-Y286 HydrophobicContact CD1-CE2 4.05Å; Y246-Y286 AromaticContact CE1-CD2 3.76Å; Y246-Y286 HydrophobicContact CE1-CD2 3.76Å; Y246-Y286 HydrophobicContact CE1-CE2 4.2Å; Y246-Y286 HydrophobicContact CG-CE2 4.44Å; Q247-Y286 WeakPolarHBondContact CG-OH 3.22Å; L278-Y286 HydrophobicContact CB-CD1 4.21Å; L278-Y286 HydrophobicContact CB-CE1 3.86Å; L278-Y286 HydrophobicContact CB-CE2 4.2Å; L278-Y286 HydrophobicContact CD1-CE2 4.28Å; L278-Y286 HydrophobicContact CD2-CD2 4.29Å; L278-Y286 HydrophobicContact CD2-CE2 4.47Å; A280-Y286 HydrophobicContact CB-CD1 4.36Å; D283-Y286 PolarHBondContact O-N 2.93Å; D283-Y286 PolarHBondContact OD1-N 2.9Å; D283-Y286 VanDerWaalsContact OD1-N 3.12Å; Y286-N288 VanDerWaalsContact C-N 3.33Å; Y286-N288 PolarHBondContact O-N 3.42Å; Y286-N289 CarbonylContact O-C 3.19Å; Y286-N289 PolarHBondContact O-N 3.2Å; Y286-L290 HydrophobicContact CD1-CD1 3.98Å; Y286-L290 HydrophobicContact CD2-CD1 4.47Å; Y286-L290 HydrophobicContact CE1-CD1 3.36Å; Y286-L290 HydrophobicContact CE2-CD1 3.92Å; Y286-L290 HydrophobicContact CG-CD1 4.5Å; Y286-L290 WeakPolarHBondContact O-CA 3.45Å; Y286-L290 WeakPolarHBondContact O-CB 3.38Å; Y286-L290 PolarHBondContact O-N 3.01Å
287A92.4Very high91Very high41 Ų4142 Ų4234%0.33923%0.233SC..Hα-helixtrans-57.6-44.3178.600000112.6A280 D283 E284 N289A280-A287 HydrophobicContact CB-CB 4.03Å; A280-A287 WeakPolarHBondContact O-CB 3.09Å; D283-A287 PolarHBondContact O-N 3.07Å; E284-A287 PolarHBondContact O-N 3.05Å; A287-N289 VanDerWaalsContact C-N 3.33Å; A287-N289 PolarHBondContact O-N 2.69Å
288N92.9Very high90.8Very high103 Ų10339.8 Ų39.855%0.55122%0.223SC*.Hα-helixtrans-74.8-21.6-179.3-71.2-29.6000113.5E284 F285 Y286E284-N288 WeakPolarHBondContact O-CB 3.4Å; E284-N288 PolarHBondContact O-N 3.33Å; E284-N288 PolarHBondContact O-ND2 2.73Å; F285-N288 PolarHBondContact O-N 3.41Å; Y286-N288 VanDerWaalsContact C-N 3.33Å; Y286-N288 PolarHBondContact O-N 3.42Å
289N94.5Very high90.7Very high7 Ų743.5 Ų43.54%0.03725%0.245CC..Hα-helixtrans-108.9-2-177.3-69.8-83.8000114Y246 F285 Y286 A287 Y291 M292 N300Y246-N289 VanDerWaalsContact CB-O 3.23Å; Y246-N289 WeakPolarHBondContact CB-O 3.36Å; Y246-N289 HydrophobicContact CD1-CB 3.91Å; Y246-N289 HydrophobicContact CE1-CB 4.39Å; F285-N289 HydrophobicContact CE1-CB 4.39Å; F285-N289 WeakPolarHBondContact CE2-ND2 3.49Å; F285-N289 WeakPolarHBondContact O-CB 3.48Å; F285-N289 PolarHBondContact O-N 2.86Å; F285-N289 VanDerWaalsContact O-N 3.13Å; F285-N289 PolarHBondContact O-ND2 3.21Å; Y286-N289 CarbonylContact O-C 3.19Å; Y286-N289 PolarHBondContact O-N 3.2Å; A287-N289 VanDerWaalsContact C-N 3.33Å; A287-N289 PolarHBondContact O-N 2.69Å; N289-Y291 PolarHBondContact O-N 2.7Å; N289-M292 PolarHBondContact O-N 2.72Å; N289-N300 WeakPolarHBondContact OD1-CB 3.16Å; N289-N300 PolarHBondContact OD1-ND2 2.97Å
290L93.3Very high90.7Very high12 Ų1245.6 Ų45.66%0.06326%0.256CS..THydrogen-bonded Turntrans-47.9-42.8-170.7-168.772.9000113.7Q247 Y286Q247-L290 HydrophobicContact CB-CD1 3.77Å; Q247-L290 HydrophobicContact CB-CG 4.1Å; Q247-L290 HydrophobicContact CG-CD1 4.1Å; Q247-L290 PolarHBondContact N-O 3.35Å; Y286-L290 HydrophobicContact CD1-CD1 3.98Å; Y286-L290 HydrophobicContact CD2-CD1 4.47Å; Y286-L290 HydrophobicContact CE1-CD1 3.36Å; Y286-L290 HydrophobicContact CE2-CD1 3.92Å; Y286-L290 HydrophobicContact CG-CD1 4.5Å; Y286-L290 WeakPolarHBondContact O-CA 3.45Å; Y286-L290 WeakPolarHBondContact O-CB 3.38Å; Y286-L290 PolarHBondContact O-N 3.01Å
291Y94.7Very high90.6Very high31 Ų3144.4 Ų44.412%0.12225%0.246CC..THydrogen-bonded Turntrans-111.95.9-175-66.8-50.5000113.8N133 H135 N289 L530 Y533N133-Y291 PolarHBondContact ND2-OH 2.88Å; H135-Y291 AromaticContact CE1-CE2 3.96Å; H135-Y291 AromaticContact CE1-CZ 3.91Å; H135-Y291 PolarHBondContact CE1-OH 2.8Å; H135-Y291 AromaticContact NE2-CZ 3.86Å; H135-Y291 PolarHBondContact NE2-OH 2.79Å; N289-Y291 PolarHBondContact O-N 2.7Å; Y291-L530 HydrophobicContact CD1-CB 3.95Å; Y291-L530 HydrophobicContact CD1-CD1 3.59Å; Y291-L530 HydrophobicContact CD1-CG 4.36Å; Y291-L530 HydrophobicContact CE1-CB 4.14Å; Y291-L530 HydrophobicContact CE1-CD1 4.44Å; Y291-L530 HydrophobicContact CG-CD1 3.7Å; Y291-Y533 AromaticContact CD2-CD1 3.48Å; Y291-Y533 HydrophobicContact CD2-CD1 3.48Å; Y291-Y533 VanDerWaalsContact CD2-CD1 3.48Å; Y291-Y533 AromaticContact CD2-CD2 3.76Å; Y291-Y533 HydrophobicContact CD2-CD2 3.76Å; Y291-Y533 AromaticContact CD2-CE1 3.72Å; Y291-Y533 HydrophobicContact CD2-CE1 3.72Å; Y291-Y533 AromaticContact CD2-CE2 3.97Å; Y291-Y533 HydrophobicContact CD2-CE2 3.97Å; Y291-Y533 AromaticContact CD2-CG 3.5Å; Y291-Y533 HydrophobicContact CD2-CG 3.5Å; Y291-Y533 AromaticContact CD2-CZ 3.95Å; Y291-Y533 AromaticContact CE2-CD1 3.89Å; Y291-Y533 HydrophobicContact CE2-CD1 3.89Å; Y291-Y533 AromaticContact CE2-CD2 3.41Å; Y291-Y533 HydrophobicContact CE2-CD2 3.41Å; Y291-Y533 VanDerWaalsContact CE2-CD2 3.41Å; Y291-Y533 HydrophobicContact CE2-CE1 4.38Å; Y291-Y533 AromaticContact CE2-CE2 3.95Å; Y291-Y533 HydrophobicContact CE2-CE2 3.95Å; Y291-Y533 AromaticContact CE2-CG 3.37Å; Y291-Y533 HydrophobicContact CE2-CG 3.37Å; Y291-Y533 HydrophobicContact CG-CD1 4.14Å; Y291-Y533 HydrophobicContact CG-CE1 4.48Å; Y291-Y533 HydrophobicContact CG-CG 4.41Å
292M93.9Very high90.6Very high63 Ų6343.9 Ų43.931%0.3124%0.242SC..  trans-73.5151176.4-65.1-63.5-178.500110.1T245 Y246 N289 E296 I297T245-M292 VanDerWaalsContact CA-O 3.3Å; T245-M292 WeakPolarHBondContact CA-O 3.46Å; Y246-M292 PolarHBondContact N-O 2.88Å; Y246-M292 VanDerWaalsContact N-O 3.09Å; N289-M292 PolarHBondContact O-N 2.72Å; M292-E296 HydrophobicContact CB-CB 4.15Å; M292-I297 HydrophobicContact CB-CG1 4.12Å
293N91.9Very high90.8Very high48 Ų4843.6 Ų43.626%0.25724%0.24SC..BIsolated β-bridgetrans-78.1161.4178.573.469.8000112.1W244 G295 E296 I297W244-N293 CarbonylContact O-C 3.56Å; W244-N293 VanDerWaalsContact O-CA 3.31Å; W244-N293 WeakPolarHBondContact O-CA 3.39Å; N293-G295 VanDerWaalsContact C-N 3.28Å; N293-G295 PolarHBondContact O-N 2.86Å; N293-G295 PolarHBondContact OD1-N 2.94Å; N293-E296 PolarHBondContact N-OE2 3.44Å; N293-E296 VanDerWaalsContact N-OE2 3.15Å; N293-E296 VanDerWaalsContact ND2-CG 3.34Å; N293-E296 WeakPolarHBondContact ND2-CG 3.29Å; N293-E296 PolarHBondContact ND2-OE1 2.74Å; N293-E296 PolarHBondContact ND2-OE2 3.32Å; N293-E296 WeakPolarHBondContact O-CB 3.43Å; N293-E296 PolarHBondContact O-N 3.43Å; N293-E296 PolarHBondContact OD1-N 3.38Å; N293-E296 VanDerWaalsContact OD1-N 3.14Å; N293-I297 VanDerWaalsContact O-CG1 3.31Å; N293-I297 WeakPolarHBondContact O-CG1 3.42Å; N293-I297 PolarHBondContact O-N 3.11Å
294F90Very high90.5Very high37 Ų3745.6 Ų45.616%0.16225%0.251CS..Hα-helixtrans-54.8-37.5-174.4-168.7-121.8000114.6W244 M249 I297 G298 V349 L352W244-F294 HydrophobicContact CE3-CB 4.07Å; W244-F294 HydrophobicContact CE3-CD1 4.32Å; W244-F294 HydrophobicContact CE3-CG 4.37Å; W244-F294 HydrophobicContact CZ3-CD1 4.19Å; W244-F294 PolarHBondContact O-N 3.03Å; M249-F294 HydrophobicContact CE-CD1 4.29Å; M249-F294 HydrophobicContact CE-CD2 3.79Å; M249-F294 HydrophobicContact CE-CE1 4.29Å; M249-F294 HydrophobicContact CE-CE2 3.79Å; M249-F294 HydrophobicContact CE-CG 4.05Å; M249-F294 HydrophobicContact CE-CZ 4.05Å; M249-F294 HydrophobicContact SD-CB 4.2Å; M249-F294 HydrophobicContact SD-CD2 3.34Å; M249-F294 WeakPolarHBondContact SD-CD2 3.45Å; M249-F294 HydrophobicContact SD-CE2 3.8Å; M249-F294 HydrophobicContact SD-CG 3.83Å; F294-I297 PolarHBondContact O-N 3.07Å; F294-G298 PolarHBondContact O-N 2.77Å; F294-G298 VanDerWaalsContact O-N 3.13Å; F294-V349 HydrophobicContact CE2-CG1 4.14Å; F294-L352 HydrophobicContact CE2-CB 4.01Å; F294-L352 HydrophobicContact CE2-CD1 4.5Å; F294-L352 HydrophobicContact CZ-CB 4.44Å
295G88.6Confident90Very high48 Ų4838.7 Ų38.750%0.49522%0.219SC..Hα-helixtrans-68-41.117600000113.1N293 G298 T299N293-G295 VanDerWaalsContact C-N 3.28Å; N293-G295 PolarHBondContact O-N 2.86Å; N293-G295 PolarHBondContact OD1-N 2.94Å; G295-G298 PolarHBondContact O-N 3.06Å; G295-T299 PolarHBondContact O-N 3.43Å; G295-T299 PolarHBondContact O-OG1 2.78Å
296E90.2Very high89.6Confident50 Ų5040.7 Ų40.723%0.23423%0.228CC..Hα-helixtrans-64.4-41.8174.8-70.617315400111.8M292 N293 G298 T299 N300M292-E296 HydrophobicContact CB-CB 4.15Å; N293-E296 PolarHBondContact N-OE2 3.44Å; N293-E296 VanDerWaalsContact N-OE2 3.15Å; N293-E296 VanDerWaalsContact ND2-CG 3.34Å; N293-E296 WeakPolarHBondContact ND2-CG 3.29Å; N293-E296 PolarHBondContact ND2-OE1 2.74Å; N293-E296 PolarHBondContact ND2-OE2 3.32Å; N293-E296 WeakPolarHBondContact O-CB 3.43Å; N293-E296 PolarHBondContact O-N 3.43Å; N293-E296 PolarHBondContact OD1-N 3.38Å; N293-E296 VanDerWaalsContact OD1-N 3.14Å; E296-G298 VanDerWaalsContact C-N 3.34Å; E296-G298 PolarHBondContact O-N 2.81Å; E296-T299 WeakPolarHBondContact O-CB 3.22Å; E296-T299 PolarHBondContact O-N 2.73Å; E296-N300 WeakPolarHBondContact O-CB 3.22Å; E296-N300 VanDerWaalsContact O-CG 3.3Å; E296-N300 PolarHBondContact O-N 3.32Å
297I90.1Very high89Confident0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-60.7-44.8177.5-60.6161.6000110.6Y246 M292 N293 F294 T299 N300 I301 V349Y246-I297 HydrophobicContact CD1-CD1 4.29Å; Y246-I297 HydrophobicContact CD2-CD1 3.88Å; Y246-I297 HydrophobicContact CG-CD1 3.59Å; Y246-I297 HydrophobicContact CG-CG1 4.29Å; M292-I297 HydrophobicContact CB-CG1 4.12Å; N293-I297 VanDerWaalsContact O-CG1 3.31Å; N293-I297 WeakPolarHBondContact O-CG1 3.42Å; N293-I297 PolarHBondContact O-N 3.11Å; F294-I297 PolarHBondContact O-N 3.07Å; I297-T299 VanDerWaalsContact C-N 3.28Å; I297-T299 PolarHBondContact O-N 3.39Å; I297-N300 PolarHBondContact O-N 3.09Å; I297-I301 HydrophobicContact CG2-CD1 4.03Å; I297-I301 HydrophobicContact CG2-CG1 4.35Å; I297-I301 WeakPolarHBondContact O-CG1 3.18Å; I297-I301 PolarHBondContact O-N 3.18Å; I297-V349 HydrophobicContact CG2-CG2 3.76Å
298G87.2Confident88.2Confident16 Ų1644.2 Ų44.217%0.16524%0.24CC..Hα-helixtrans-57.7-42177.200000112.4F294 G295 E296 K302F294-G298 PolarHBondContact O-N 2.77Å; F294-G298 VanDerWaalsContact O-N 3.13Å; G295-G298 PolarHBondContact O-N 3.06Å; E296-G298 VanDerWaalsContact C-N 3.34Å; E296-G298 PolarHBondContact O-N 2.81Å; G298-K302 PolarHBondContact O-N 3.21Å; G298-K302 VanDerWaalsContact O-N 3.13Å
299T89.6Confident87.3Confident78 Ų7840.8 Ų40.848%0.47922%0.22SC..Hα-helixtrans-66.2-44.3175.6-55.30000111.6G295 E296 I297 I301 K302 N303G295-T299 PolarHBondContact O-N 3.43Å; G295-T299 PolarHBondContact O-OG1 2.78Å; E296-T299 WeakPolarHBondContact O-CB 3.22Å; E296-T299 PolarHBondContact O-N 2.73Å; I297-T299 VanDerWaalsContact C-N 3.28Å; I297-T299 PolarHBondContact O-N 3.39Å; T299-I301 PolarHBondContact O-N 3.36Å; T299-K302 WeakPolarHBondContact O-CB 3.41Å; T299-K302 PolarHBondContact O-N 2.97Å; T299-N303 VanDerWaalsContact O-CG 3.27Å; T299-N303 PolarHBondContact O-N 3.39Å; T299-N303 PolarHBondContact O-ND2 3.29Å
300N90.6Very high86.5Confident52 Ų5247.2 Ų47.228%0.27825%0.248SC..Hα-helixtrans-68.6-33.5-178.6-70.8-13.5000112.5F285 N289 E296 I297 L304F285-N300 HydrophobicContact CE2-CB 4.42Å; F285-N300 HydrophobicContact CZ-CB 4.5Å; N289-N300 WeakPolarHBondContact OD1-CB 3.16Å; N289-N300 PolarHBondContact OD1-ND2 2.97Å; E296-N300 WeakPolarHBondContact O-CB 3.22Å; E296-N300 VanDerWaalsContact O-CG 3.3Å; E296-N300 PolarHBondContact O-N 3.32Å; I297-N300 PolarHBondContact O-N 3.09Å; N300-L304 WeakPolarHBondContact O-CB 3.47Å; N300-L304 PolarHBondContact O-N 3.42Å
301I87.1Confident85.5Confident1 Ų155 Ų551%0.00528%0.281CS..Hα-helixtrans-66.8-42.3172-72.5-176.8000111.1F285 I297 T299 N303 L304 M305 M325 H345 V346 V349F285-I301 HydrophobicContact CE1-CG1 4.14Å; F285-I301 HydrophobicContact CE2-CG1 4.47Å; F285-I301 HydrophobicContact CZ-CD1 4.46Å; F285-I301 HydrophobicContact CZ-CG1 3.55Å; I297-I301 HydrophobicContact CG2-CD1 4.03Å; I297-I301 HydrophobicContact CG2-CG1 4.35Å; I297-I301 WeakPolarHBondContact O-CG1 3.18Å; I297-I301 PolarHBondContact O-N 3.18Å; T299-I301 PolarHBondContact O-N 3.36Å; I301-N303 PolarHBondContact O-N 3.47Å; I301-L304 WeakPolarHBondContact O-CB 3.23Å; I301-L304 PolarHBondContact O-N 3.26Å; I301-M305 WeakPolarHBondContact O-CB 3.14Å; I301-M305 PolarHBondContact O-N 3.3Å; I301-M325 HydrophobicContact CG2-CE 3.93Å; I301-M325 HydrophobicContact CG2-SD 3.89Å; I301-H345 HydrophobicContact CD1-CB 4.31Å; I301-V346 HydrophobicContact CG2-CG2 3.7Å; I301-V349 HydrophobicContact CD1-CB 3.45Å; I301-V349 VanDerWaalsContact CD1-CB 3.45Å; I301-V349 HydrophobicContact CD1-CG1 3.84Å; I301-V349 HydrophobicContact CD1-CG2 3.3Å
302K85.8Confident84.1Confident74 Ų7459.1 Ų59.132%0.32230%0.3SS..Hα-helixtrans-58.1-49.4174.9-176.1179.5176.7176.60111G298 T299 L304 M305 E306 L319 M325G298-K302 PolarHBondContact O-N 3.21Å; G298-K302 VanDerWaalsContact O-N 3.13Å; T299-K302 WeakPolarHBondContact O-CB 3.41Å; T299-K302 PolarHBondContact O-N 2.97Å; K302-L304 PolarHBondContact O-N 3.02Å; K302-M305 PolarHBondContact O-N 3.38Å; K302-M305 VanDerWaalsContact O-N 3.13Å; K302-E306 WeakPolarHBondContact CE-OE1 3.27Å; K302-E306 HydrophobicContact CG-CG 4.47Å; K302-E306 WeakPolarHBondContact O-CG 3.45Å; K302-E306 PolarHBondContact O-N 3Å; K302-L319 WeakPolarHBondContact CE-O 2.89Å; K302-M325 HydrophobicContact CB-CE 4.25Å; K302-M325 HydrophobicContact CB-SD 4.2Å
303N87.7Confident82.4Confident71 Ų7160.8 Ų60.838%0.3832%0.315SS..Hα-helixtrans-59.2-45.3177-65.8-18000111.9T299 I301 M305 E306 D307T299-N303 VanDerWaalsContact O-CG 3.27Å; T299-N303 PolarHBondContact O-N 3.39Å; T299-N303 PolarHBondContact O-ND2 3.29Å; I301-N303 PolarHBondContact O-N 3.47Å; N303-M305 VanDerWaalsContact C-N 3.25Å; N303-M305 PolarHBondContact O-N 3.47Å; N303-E306 PolarHBondContact O-N 2.63Å; N303-D307 WeakPolarHBondContact O-CB 3.34Å; N303-D307 PolarHBondContact O-N 2.85Å
304L83.9Confident80.6Confident50 Ų5067.4 Ų67.426%0.26234%0.342SS..Hα-helixtrans-57.2-41.3176.5-178.571.4000111.5F285 N300 I301 K302 F308 V342F285-L304 HydrophobicContact CD2-CD1 4.27Å; F285-L304 HydrophobicContact CD2-CD2 3.69Å; F285-L304 HydrophobicContact CD2-CG 4.37Å; F285-L304 HydrophobicContact CE2-CB 4.15Å; F285-L304 HydrophobicContact CE2-CD2 3.78Å; F285-L304 HydrophobicContact CE2-CG 4.41Å; F285-L304 HydrophobicContact CG-CD2 4.27Å; F285-L304 HydrophobicContact CZ-CD2 4.45Å; N300-L304 WeakPolarHBondContact O-CB 3.47Å; N300-L304 PolarHBondContact O-N 3.42Å; I301-L304 WeakPolarHBondContact O-CB 3.23Å; I301-L304 PolarHBondContact O-N 3.26Å; K302-L304 PolarHBondContact O-N 3.02Å; L304-F308 WeakPolarHBondContact O-CB 3.5Å; L304-F308 PolarHBondContact O-N 2.9Å; L304-F308 VanDerWaalsContact O-N 3.14Å; L304-V342 HydrophobicContact CD1-CG2 4.45Å; L304-V342 HydrophobicContact CD2-CB 4.48Å; L304-V342 HydrophobicContact CD2-CG2 3.77Å; L304-V342 HydrophobicContact CG-CG2 3.87Å
305M80.1Confident79Confident6 Ų667.3 Ų67.33%0.0335%0.351CS..Hα-helixtrans-73.1-42.3-179.8-169.5156.8176.900112.7I301 K302 N303 F308 Q309 L319 M325 F328 V329I301-M305 WeakPolarHBondContact O-CB 3.14Å; I301-M305 PolarHBondContact O-N 3.3Å; K302-M305 PolarHBondContact O-N 3.38Å; K302-M305 VanDerWaalsContact O-N 3.13Å; N303-M305 VanDerWaalsContact C-N 3.25Å; N303-M305 PolarHBondContact O-N 3.47Å; M305-F308 WeakPolarHBondContact O-CB 3.47Å; M305-F308 PolarHBondContact O-N 3.17Å; M305-Q309 WeakPolarHBondContact O-CG 3.23Å; M305-Q309 PolarHBondContact O-N 3.26Å; M305-L319 HydrophobicContact CE-CD1 3.17Å; M305-L319 HydrophobicContact CE-CD2 3.99Å; M305-L319 HydrophobicContact CE-CG 4.19Å; M305-L319 HydrophobicContact CG-CD1 3.57Å; M305-L319 HydrophobicContact SD-CD1 3.59Å; M305-L319 VanDerWaalsContact SD-CD1 3.59Å; M305-M325 HydrophobicContact CB-SD 4.15Å; M305-M325 HydrophobicContact CE-CB 4.11Å; M305-M325 HydrophobicContact CE-CG 4.26Å; M305-M325 HydrophobicContact SD-CB 3.37Å; M305-M325 WeakPolarHBondContact SD-CB 3.39Å; M305-M325 HydrophobicContact SD-CG 3.32Å; M305-M325 WeakPolarHBondContact SD-CG 3.49Å; M305-M325 HydrophobicContact SD-SD 3.77Å; M305-F328 HydrophobicContact CE-CB 3.51Å; M305-F328 HydrophobicContact CE-CD1 3.12Å; M305-F328 HydrophobicContact CE-CD2 4.41Å; M305-F328 HydrophobicContact CE-CE1 3.9Å; M305-F328 HydrophobicContact CE-CG 3.43Å; M305-F328 VanDerWaalsContact CE-CG 3.43Å; M305-V329 HydrophobicContact CE-CG2 4.46Å
306E82.8Confident77.6Confident65 Ų6573.7 Ų73.730%0.30437%0.369SS..Hα-helixtrans-61.6-43.9175-73.8-178.5-179.600111.7K302 N303 F308 Q309 K310K302-E306 WeakPolarHBondContact CE-OE1 3.27Å; K302-E306 HydrophobicContact CG-CG 4.47Å; K302-E306 WeakPolarHBondContact O-CG 3.45Å; K302-E306 PolarHBondContact O-N 3Å; N303-E306 PolarHBondContact O-N 2.63Å; E306-F308 VanDerWaalsContact C-N 3.25Å; E306-F308 PolarHBondContact O-N 2.78Å; E306-Q309 PolarHBondContact O-N 3.25Å; E306-K310 WeakPolarHBondContact O-CG 3.44Å; E306-K310 PolarHBondContact O-N 3.25Å
307D81.2Confident76.6Confident77 Ų7775.6 Ų75.641%0.41238%0.377SS..Hα-helixtrans-65.1-32.8176.5-75.4-13.7000112N303 K310 K311N303-D307 WeakPolarHBondContact O-CB 3.34Å; N303-D307 PolarHBondContact O-N 2.85Å; D307-K310 IonicContact OD1-NZ 3.82Å; D307-K310 PolarHBondContact OD1-NZ 2.71Å; D307-K310 VanDerWaalsContact OD1-NZ 3.14Å; D307-K311 WeakPolarHBondContact O-CG 3.34Å; D307-K311 PolarHBondContact O-N 3.22Å
308F75.7Confident75.6Confident39 Ų3984.4 Ų84.417%0.17142%0.416CS..Hα-helixtrans-69.4-41.9172.9-162.1-97.2000112.1L304 M305 E306 K311 K312 F335 M338 V342L304-F308 WeakPolarHBondContact O-CB 3.5Å; L304-F308 PolarHBondContact O-N 2.9Å; L304-F308 VanDerWaalsContact O-N 3.14Å; M305-F308 WeakPolarHBondContact O-CB 3.47Å; M305-F308 PolarHBondContact O-N 3.17Å; E306-F308 VanDerWaalsContact C-N 3.25Å; E306-F308 PolarHBondContact O-N 2.78Å; F308-K311 PolarHBondContact O-N 3.09Å; F308-K312 PolarHBondContact O-N 3.1Å; F308-F335 AromaticContact CD1-CD1 3.62Å; F308-F335 HydrophobicContact CD1-CD1 3.62Å; F308-F335 AromaticContact CD1-CE1 3.64Å; F308-F335 HydrophobicContact CD1-CE1 3.64Å; F308-F335 AromaticContact CE1-CD1 3.34Å; F308-F335 HydrophobicContact CE1-CD1 3.34Å; F308-F335 AromaticContact CE1-CE1 3.64Å; F308-F335 HydrophobicContact CE1-CE1 3.64Å; F308-F335 HydrophobicContact CE1-CG 4.27Å; F308-M338 HydrophobicContact CZ-CB 4Å; F308-V342 HydrophobicContact CD2-CG2 4.43Å
309Q75.4Confident75.1Confident31 Ų3184.1 Ų84.115%0.14541%0.41CS..Hα-helixtrans-62.9-42.6174.5-76.3-174.4-29.400112.2M305 E306 K311 K312 Q317 F328M305-Q309 WeakPolarHBondContact O-CG 3.23Å; M305-Q309 PolarHBondContact O-N 3.26Å; E306-Q309 PolarHBondContact O-N 3.25Å; Q309-K311 VanDerWaalsContact C-N 3.28Å; Q309-K311 PolarHBondContact O-N 3.03Å; Q309-K312 CarbonylContact O-C 3.51Å; Q309-K312 PolarHBondContact O-N 3.35Å; Q309-K312 VanDerWaalsContact O-N 3.11Å; Q309-Q317 PolarHBondContact NE2-O 3.15Å; Q309-F328 HydrophobicContact CG-CZ 4.46Å
310K77.1Confident74.6Confident143 Ų14387.5 Ų87.562%0.62242%0.421SS*.Hα-helixtrans-58.4-40.4176.3-73.9171.6-165.3157.50112E306 D307 K312E306-K310 WeakPolarHBondContact O-CG 3.44Å; E306-K310 PolarHBondContact O-N 3.25Å; D307-K310 IonicContact OD1-NZ 3.82Å; D307-K310 PolarHBondContact OD1-NZ 2.71Å; D307-K310 VanDerWaalsContact OD1-NZ 3.14Å; K310-K312 VanDerWaalsContact C-N 3.25Å; K310-K312 PolarHBondContact O-N 2.87Å
311K72.1Confident74.2Confident174 Ų17487.2 Ų87.276%0.75742%0.423SS*.Hα-helixtrans-68.1-22.5179.3-74.1173.3-177.9175.70112.8D307 F308 Q309D307-K311 WeakPolarHBondContact O-CG 3.34Å; D307-K311 PolarHBondContact O-N 3.22Å; F308-K311 PolarHBondContact O-N 3.09Å; Q309-K311 VanDerWaalsContact C-N 3.28Å; Q309-K311 PolarHBondContact O-N 3.03Å
312K64.8Low74Confident119 Ų11988.7 Ų88.752%0.51743%0.43SS..SBendtrans-145.894.6176.8-67.5-157-173.3-159.60113.1F308 Q309 K310 K314 M338F308-K312 PolarHBondContact O-N 3.1Å; Q309-K312 CarbonylContact O-C 3.51Å; Q309-K312 PolarHBondContact O-N 3.35Å; Q309-K312 VanDerWaalsContact O-N 3.11Å; K310-K312 VanDerWaalsContact C-N 3.25Å; K310-K312 PolarHBondContact O-N 2.87Å; K312-K314 VanDerWaalsContact C-N 3.25Å; K312-K314 PolarHBondContact O-N 2.8Å; K312-M338 HydrophobicContact CD-CE 3.3Å; K312-M338 VanDerWaalsContact CE-CE 3.49Å; K312-M338 VanDerWaalsContact NZ-CE 3.29Å
313P57.7Low73.9Confident97 Ų9789.3 Ų89.363%0.6344%0.444SS*.  trans-7724.7-165.928.8-35.4000117G315P313-G315 PolarHBondContact O-N 3.24Å
314K54.3Low73.6Confident187 Ų18789.1 Ų89.181%0.81344%0.443SS*.SBendtrans-79.790174.6-76.5-168176.9-175.20110.2K312K312-K314 VanDerWaalsContact C-N 3.25Å; K312-K314 PolarHBondContact O-N 2.8Å
315G58.1Low73.5Confident35 Ų3587 Ų8736%0.36143%0.432SS..  trans102.481.4175.800000112.6P313 Q317P313-G315 PolarHBondContact O-N 3.24Å; G315-Q317 PolarHBondContact O-N 2.85Å
316Q59.2Low73.5Confident183 Ų18389 Ų8986%0.85544%0.44SS*.  trans-72.377.8168.1-74.3178.1-12.100109.4
317Q67.8Low73.5Confident90 Ų9087.9 Ų87.942%0.42144%0.442SS..  trans-88.6130.5164.9-75.5-176.9-8.400108.7Q309 G315 L319 F328Q309-Q317 PolarHBondContact NE2-O 3.15Å; G315-Q317 PolarHBondContact O-N 2.85Å; Q317-L319 PolarHBondContact O-N 3.48Å; Q317-F328 HydrophobicContact CB-CD2 4.45Å; Q317-F328 HydrophobicContact CB-CE2 4.48Å
318K69.7Low73.4Confident184 Ų18484.3 Ų84.380%0.842%0.423SS*.  trans-67.6125.1167.6-76.3-174.8176.1-176.80108.4
319L76.7Confident73.5Confident11 Ų1182.7 Ų82.76%0.05842%0.417CS..  trans-111.2109.4178.9-60.8164000107.8K302 M305 Q317 D324 M325 F328K302-L319 WeakPolarHBondContact CE-O 2.89Å; M305-L319 HydrophobicContact CE-CD1 3.17Å; M305-L319 HydrophobicContact CE-CD2 3.99Å; M305-L319 HydrophobicContact CE-CG 4.19Å; M305-L319 HydrophobicContact CG-CD1 3.57Å; M305-L319 HydrophobicContact SD-CD1 3.59Å; M305-L319 VanDerWaalsContact SD-CD1 3.59Å; Q317-L319 PolarHBondContact O-N 3.48Å; L319-D324 HydrophobicContact CD2-CB 4.04Å; L319-M325 HydrophobicContact CB-CG 4.1Å; L319-M325 HydrophobicContact CD1-CG 4.43Å; L319-F328 HydrophobicContact CD2-CB 3.92Å; L319-F328 HydrophobicContact CD2-CD2 4.19Å; L319-F328 HydrophobicContact CD2-CG 4.21Å
320E79.5Confident73.6Confident148 Ų14884.2 Ų84.269%0.69243%0.426SS*.  trans-105.1-30.5-174.9-65.2-172.5172.600112D324E320-D324 PolarHBondContact N-OD2 2.88Å
321S82.3Confident73.6Confident47 Ų4783.1 Ų83.133%0.32943%0.426SS..SBendtrans-121.7160.7-178.776.90000113.8S323 D324 M325S321-S323 PolarHBondContact O-N 3.02Å; S321-S323 PolarHBondContact OG-N 2.95Å; S321-D324 WeakPolarHBondContact CB-OD2 3.4Å; S321-D324 PolarHBondContact N-OD2 2.88Å; S321-D324 WeakPolarHBondContact O-CB 3.31Å; S321-D324 PolarHBondContact O-N 3.05Å; S321-D324 VanDerWaalsContact O-N 3.15Å; S321-D324 PolarHBondContact OG-N 3.07Å; S321-D324 VanDerWaalsContact OG-N 3.13Å; S321-D324 PolarHBondContact OG-OD1 3.45Å; S321-D324 PolarHBondContact OG-OD2 3.19Å; S321-M325 WeakPolarHBondContact O-CG 3.48Å; S321-M325 PolarHBondContact O-N 3.07Å; S321-M325 VanDerWaalsContact O-N 3.08Å
322I82.3Confident73.7Confident31 Ų3178.7 Ų78.716%0.15941%0.406CS..Hα-helixtrans-60.5-31.6172.6-63159.7000111.4M325 K326 V349I322-M325 HydrophobicContact CB-CE 4.19Å; I322-M325 HydrophobicContact CG1-CE 3.73Å; I322-M325 PolarHBondContact O-N 3.14Å; I322-K326 PolarHBondContact O-N 3.17Å; I322-V349 HydrophobicContact CD1-CG1 3.91Å; I322-V349 HydrophobicContact CG2-CG1 4.44Å
323S83.1Confident73.8Confident87 Ų8776.9 Ų76.961%0.60841%0.406SS*.Hα-helixtrans-64.6-43.9175.3-170.50000111.3S321 M325 K326 A327S321-S323 PolarHBondContact O-N 3.02Å; S321-S323 PolarHBondContact OG-N 2.95Å; S323-M325 VanDerWaalsContact C-N 3.3Å; S323-M325 PolarHBondContact O-N 3.36Å; S323-K326 PolarHBondContact O-N 2.77Å; S323-A327 WeakPolarHBondContact O-CB 3.45Å; S323-A327 PolarHBondContact O-N 2.78Å
324D82.9Confident74.1Confident68 Ų6879.4 Ų79.436%0.36441%0.409SS..Hα-helixtrans-62.6-42.1176.6-51.4-35.4000110.6L319 E320 S321 K326 A327 F328L319-D324 HydrophobicContact CD2-CB 4.04Å; E320-D324 PolarHBondContact N-OD2 2.88Å; S321-D324 WeakPolarHBondContact CB-OD2 3.4Å; S321-D324 PolarHBondContact N-OD2 2.88Å; S321-D324 WeakPolarHBondContact O-CB 3.31Å; S321-D324 PolarHBondContact O-N 3.05Å; S321-D324 VanDerWaalsContact O-N 3.15Å; S321-D324 PolarHBondContact OG-N 3.07Å; S321-D324 VanDerWaalsContact OG-N 3.13Å; S321-D324 PolarHBondContact OG-OD1 3.45Å; S321-D324 PolarHBondContact OG-OD2 3.19Å; D324-K326 PolarHBondContact O-N 3.25Å; D324-A327 PolarHBondContact O-N 2.93Å; D324-F328 VanDerWaalsContact O-CB 3.28Å; D324-F328 WeakPolarHBondContact O-CB 3.23Å; D324-F328 PolarHBondContact O-N 3.21Å
325M82Confident74.5Confident5 Ų571.9 Ų71.93%0.02538%0.377CS..Hα-helixtrans-60.9-45.4177.5-67.9-166.6-81.100112I301 K302 M305 L319 S321 I322 S323 F328 V329 V346I301-M325 HydrophobicContact CG2-CE 3.93Å; I301-M325 HydrophobicContact CG2-SD 3.89Å; K302-M325 HydrophobicContact CB-CE 4.25Å; K302-M325 HydrophobicContact CB-SD 4.2Å; M305-M325 HydrophobicContact CB-SD 4.15Å; M305-M325 HydrophobicContact CE-CB 4.11Å; M305-M325 HydrophobicContact CE-CG 4.26Å; M305-M325 HydrophobicContact SD-CB 3.37Å; M305-M325 WeakPolarHBondContact SD-CB 3.39Å; M305-M325 HydrophobicContact SD-CG 3.32Å; M305-M325 WeakPolarHBondContact SD-CG 3.49Å; M305-M325 HydrophobicContact SD-SD 3.77Å; L319-M325 HydrophobicContact CB-CG 4.1Å; L319-M325 HydrophobicContact CD1-CG 4.43Å; S321-M325 WeakPolarHBondContact O-CG 3.48Å; S321-M325 PolarHBondContact O-N 3.07Å; S321-M325 VanDerWaalsContact O-N 3.08Å; I322-M325 HydrophobicContact CB-CE 4.19Å; I322-M325 HydrophobicContact CG1-CE 3.73Å; I322-M325 PolarHBondContact O-N 3.14Å; S323-M325 VanDerWaalsContact C-N 3.3Å; S323-M325 PolarHBondContact O-N 3.36Å; M325-F328 PolarHBondContact O-N 3.49Å; M325-V329 WeakPolarHBondContact O-CG2 3.22Å; M325-V329 PolarHBondContact O-N 3.12Å; M325-V346 HydrophobicContact CB-CG1 4.08Å
326K80.2Confident74.7Confident47 Ų4773 Ų7320%0.20437%0.371CS..Hα-helixtrans-63.6-48.8176.1-175.1179.8177-179.60111.4I322 S323 D324 F328 V329 D330 V346I322-K326 PolarHBondContact O-N 3.17Å; S323-K326 PolarHBondContact O-N 2.77Å; D324-K326 PolarHBondContact O-N 3.25Å; K326-F328 VanDerWaalsContact C-N 3.28Å; K326-F328 PolarHBondContact O-N 3.23Å; K326-V329 PolarHBondContact O-N 3.46Å; K326-V329 VanDerWaalsContact O-N 3.14Å; K326-D330 PolarHBondContact O-N 2.96Å; K326-V346 HydrophobicContact CB-CG1 4.11Å
327A82.2Confident74.7Confident42 Ų4273.1 Ų73.135%0.34737%0.369SS..Hα-helixtrans-59.5-39.9178.800000111.9S323 D324 D330 N331S323-A327 WeakPolarHBondContact O-CB 3.45Å; S323-A327 PolarHBondContact O-N 2.78Å; D324-A327 PolarHBondContact O-N 2.93Å; A327-D330 PolarHBondContact O-N 2.93Å; A327-N331 VanDerWaalsContact O-CB 3.31Å; A327-N331 WeakPolarHBondContact O-CB 3.42Å; A327-N331 PolarHBondContact O-N 3.43Å; A327-N331 PolarHBondContact O-ND2 3.3Å
328F78.8Confident74.4Confident3 Ų372.8 Ų72.81%0.01337%0.369CS..Hα-helixtrans-61.6-48.9174-177.7-82.3000111.5M305 Q309 Q317 L319 D324 M325 K326 D330 N331 Y332 F335M305-F328 HydrophobicContact CE-CB 3.51Å; M305-F328 HydrophobicContact CE-CD1 3.12Å; M305-F328 HydrophobicContact CE-CD2 4.41Å; M305-F328 HydrophobicContact CE-CE1 3.9Å; M305-F328 HydrophobicContact CE-CG 3.43Å; M305-F328 VanDerWaalsContact CE-CG 3.43Å; Q309-F328 HydrophobicContact CG-CZ 4.46Å; Q317-F328 HydrophobicContact CB-CD2 4.45Å; Q317-F328 HydrophobicContact CB-CE2 4.48Å; L319-F328 HydrophobicContact CD2-CB 3.92Å; L319-F328 HydrophobicContact CD2-CD2 4.19Å; L319-F328 HydrophobicContact CD2-CG 4.21Å; D324-F328 VanDerWaalsContact O-CB 3.28Å; D324-F328 WeakPolarHBondContact O-CB 3.23Å; D324-F328 PolarHBondContact O-N 3.21Å; M325-F328 PolarHBondContact O-N 3.49Å; K326-F328 VanDerWaalsContact C-N 3.28Å; K326-F328 PolarHBondContact O-N 3.23Å; F328-D330 PolarHBondContact O-N 3.49Å; F328-N331 PolarHBondContact O-N 3.41Å; F328-Y332 HydrophobicContact CD1-CD2 4.26Å; F328-Y332 AromaticContact CD2-CD2 3.88Å; F328-Y332 HydrophobicContact CD2-CD2 3.88Å; F328-Y332 AromaticContact CD2-CE2 3.75Å; F328-Y332 HydrophobicContact CD2-CE2 3.75Å; F328-Y332 HydrophobicContact CE1-CD2 4.28Å; F328-Y332 AromaticContact CE2-CD2 3.88Å; F328-Y332 HydrophobicContact CE2-CD2 3.88Å; F328-Y332 AromaticContact CE2-CE2 3.73Å; F328-Y332 HydrophobicContact CE2-CE2 3.73Å; F328-Y332 HydrophobicContact CG-CD2 4.08Å; F328-Y332 HydrophobicContact CG-CE2 4.38Å; F328-Y332 HydrophobicContact CZ-CD2 4.09Å; F328-Y332 HydrophobicContact CZ-CE2 4.34Å; F328-Y332 VanDerWaalsContact O-CD2 3.26Å; F328-Y332 WeakPolarHBondContact O-CD2 3.44Å; F328-Y332 PolarHBondContact O-N 3.13Å; F328-Y332 VanDerWaalsContact O-N 3.14Å; F328-F335 AromaticContact CE1-CD1 3.66Å; F328-F335 HydrophobicContact CE1-CD1 3.66Å; F328-F335 HydrophobicContact CE1-CD2 4.36Å; F328-F335 AromaticContact CE1-CE1 3.53Å; F328-F335 HydrophobicContact CE1-CE1 3.53Å; F328-F335 HydrophobicContact CE1-CE2 4.2Å; F328-F335 HydrophobicContact CE1-CG 4.11Å; F328-F335 AromaticContact CE1-CZ 3.8Å; F328-F335 HydrophobicContact CE1-CZ 3.8Å; F328-F335 HydrophobicContact CZ-CD1 4.39Å; F328-F335 AromaticContact CZ-CE1 3.85Å; F328-F335 HydrophobicContact CZ-CE1 3.85Å; F328-F335 HydrophobicContact CZ-CE2 4.13Å; F328-F335 AromaticContact CZ-CZ 3.68Å; F328-F335 HydrophobicContact CZ-CZ 3.68Å
329V78.5Confident74.6Confident5 Ų565.2 Ų65.23%0.0334%0.339CS..Hα-helixtrans-59.1-38177.4169.70000111.6M305 M325 K326 K336 V346M305-V329 HydrophobicContact CE-CG2 4.46Å; M325-V329 WeakPolarHBondContact O-CG2 3.22Å; M325-V329 PolarHBondContact O-N 3.12Å; K326-V329 PolarHBondContact O-N 3.46Å; K326-V329 VanDerWaalsContact O-N 3.14Å; V329-K336 HydrophobicContact CG1-CD 4.42Å; V329-K336 HydrophobicContact CG1-CG 3.83Å; V329-K336 VanDerWaalsContact O-CE 3.26Å; V329-K336 WeakPolarHBondContact O-CE 3.44Å; V329-V346 HydrophobicContact CG2-CB 4.43Å; V329-V346 HydrophobicContact CG2-CG1 4.17Å
330D77.6Confident74.8Confident63 Ų6367 Ų6734%0.33736%0.36SS..Hα-helixtrans-71.7-40.6179-72.7-27.6000113.2K326 A327 F328 Y332 K336K326-D330 PolarHBondContact O-N 2.96Å; A327-D330 PolarHBondContact O-N 2.93Å; F328-D330 PolarHBondContact O-N 3.49Å; D330-Y332 VanDerWaalsContact C-N 3.31Å; D330-Y332 PolarHBondContact O-N 3.35Å; D330-K336 WeakPolarHBondContact OD1-CE 3.32Å; D330-K336 IonicContact OD1-NZ 3.9Å; D330-K336 PolarHBondContact OD1-NZ 3.48Å
331N76.4Confident75Confident119 Ų11962.5 Ų62.564%0.63634%0.343SS*.Hα-helixtrans-75.5-16.7-178.4-71.9-23.8000113.9A327 F328 P333A327-N331 VanDerWaalsContact O-CB 3.31Å; A327-N331 WeakPolarHBondContact O-CB 3.42Å; A327-N331 PolarHBondContact O-N 3.43Å; A327-N331 PolarHBondContact O-ND2 3.3Å; F328-N331 PolarHBondContact O-N 3.41Å; N331-P333 WeakPolarHBondContact O-CD 3.49Å
332Y73.6Confident75Confident81 Ų8160.8 Ų60.832%0.31833%0.331SS..  trans-12178.7179.3-63.5-83.1000112F328 D330 Q334 F335F328-Y332 HydrophobicContact CD1-CD2 4.26Å; F328-Y332 AromaticContact CD2-CD2 3.88Å; F328-Y332 HydrophobicContact CD2-CD2 3.88Å; F328-Y332 AromaticContact CD2-CE2 3.75Å; F328-Y332 HydrophobicContact CD2-CE2 3.75Å; F328-Y332 HydrophobicContact CE1-CD2 4.28Å; F328-Y332 AromaticContact CE2-CD2 3.88Å; F328-Y332 HydrophobicContact CE2-CD2 3.88Å; F328-Y332 AromaticContact CE2-CE2 3.73Å; F328-Y332 HydrophobicContact CE2-CE2 3.73Å; F328-Y332 HydrophobicContact CG-CD2 4.08Å; F328-Y332 HydrophobicContact CG-CE2 4.38Å; F328-Y332 HydrophobicContact CZ-CD2 4.09Å; F328-Y332 HydrophobicContact CZ-CE2 4.34Å; F328-Y332 VanDerWaalsContact O-CD2 3.26Å; F328-Y332 WeakPolarHBondContact O-CD2 3.44Å; F328-Y332 PolarHBondContact O-N 3.13Å; F328-Y332 VanDerWaalsContact O-N 3.14Å; D330-Y332 VanDerWaalsContact C-N 3.31Å; D330-Y332 PolarHBondContact O-N 3.35Å; Y332-Q334 PolarHBondContact O-N 2.88Å; Y332-F335 HydrophobicContact CG-CD2 4.26Å; Y332-F335 HydrophobicContact CG-CE2 4.43Å; Y332-F335 WeakPolarHBondContact O-CA 3.43Å; Y332-F335 VanDerWaalsContact O-CB 3.26Å; Y332-F335 WeakPolarHBondContact O-CB 3.25Å; Y332-F335 PolarHBondContact O-N 3.22Å
333P66.6Low75.2Confident81 Ų8159.7 Ų59.753%0.52633%0.325SS..Hα-helixtrans-58.4-24.8-177.5-2633.9000115.2N331 F335 K336 K337N331-P333 WeakPolarHBondContact O-CD 3.49Å; P333-F335 VanDerWaalsContact C-N 3.26Å; P333-F335 PolarHBondContact O-N 3.43Å; P333-K336 WeakPolarHBondContact O-CB 3.06Å; P333-K336 PolarHBondContact O-N 3.33Å; P333-K337 PolarHBondContact O-N 3.32Å
334Q63.8Low75.5Confident150 Ų15057.6 Ų57.670%0.70131%0.305SS*.Hα-helixtrans-62.2-34.9172-64.4-175.58.400111.2Y332 K337 M338Y332-Q334 PolarHBondContact O-N 2.88Å; Q334-K337 PolarHBondContact O-N 2.87Å; Q334-M338 HydrophobicContact CB-SD 4.43Å; Q334-M338 WeakPolarHBondContact O-CB 3.5Å; Q334-M338 WeakPolarHBondContact O-CG 3.46Å; Q334-M338 PolarHBondContact O-N 3.13Å
335F64.1Low75.9Confident30 Ų3054.4 Ų54.413%0.13229%0.288CS..Hα-helixtrans-64.4-40.6174.1-81.4-110.6000112.1F308 F328 Y332 P333 K337 M338 S339F308-F335 AromaticContact CD1-CD1 3.62Å; F308-F335 HydrophobicContact CD1-CD1 3.62Å; F308-F335 AromaticContact CD1-CE1 3.64Å; F308-F335 HydrophobicContact CD1-CE1 3.64Å; F308-F335 AromaticContact CE1-CD1 3.34Å; F308-F335 HydrophobicContact CE1-CD1 3.34Å; F308-F335 AromaticContact CE1-CE1 3.64Å; F308-F335 HydrophobicContact CE1-CE1 3.64Å; F308-F335 HydrophobicContact CE1-CG 4.27Å; F328-F335 AromaticContact CE1-CD1 3.66Å; F328-F335 HydrophobicContact CE1-CD1 3.66Å; F328-F335 HydrophobicContact CE1-CD2 4.36Å; F328-F335 AromaticContact CE1-CE1 3.53Å; F328-F335 HydrophobicContact CE1-CE1 3.53Å; F328-F335 HydrophobicContact CE1-CE2 4.2Å; F328-F335 HydrophobicContact CE1-CG 4.11Å; F328-F335 AromaticContact CE1-CZ 3.8Å; F328-F335 HydrophobicContact CE1-CZ 3.8Å; F328-F335 HydrophobicContact CZ-CD1 4.39Å; F328-F335 AromaticContact CZ-CE1 3.85Å; F328-F335 HydrophobicContact CZ-CE1 3.85Å; F328-F335 HydrophobicContact CZ-CE2 4.13Å; F328-F335 AromaticContact CZ-CZ 3.68Å; F328-F335 HydrophobicContact CZ-CZ 3.68Å; Y332-F335 HydrophobicContact CG-CD2 4.26Å; Y332-F335 HydrophobicContact CG-CE2 4.43Å; Y332-F335 WeakPolarHBondContact O-CA 3.43Å; Y332-F335 VanDerWaalsContact O-CB 3.26Å; Y332-F335 WeakPolarHBondContact O-CB 3.25Å; Y332-F335 PolarHBondContact O-N 3.22Å; P333-F335 VanDerWaalsContact C-N 3.26Å; P333-F335 PolarHBondContact O-N 3.43Å; F335-K337 VanDerWaalsContact C-N 3.26Å; F335-K337 PolarHBondContact O-N 2.92Å; F335-M338 PolarHBondContact O-N 3.22Å; F335-S339 PolarHBondContact O-N 3.39Å; F335-S339 VanDerWaalsContact O-N 3.08Å
336K62.3Low76.3Confident57 Ų5754.2 Ų54.225%0.24829%0.287CS..Hα-helixtrans-57.8-39174.9-70.1-174.8174.5177.30112.3V329 D330 P333 M338V329-K336 HydrophobicContact CG1-CD 4.42Å; V329-K336 HydrophobicContact CG1-CG 3.83Å; V329-K336 VanDerWaalsContact O-CE 3.26Å; V329-K336 WeakPolarHBondContact O-CE 3.44Å; D330-K336 WeakPolarHBondContact OD1-CE 3.32Å; D330-K336 IonicContact OD1-NZ 3.9Å; D330-K336 PolarHBondContact OD1-NZ 3.48Å; P333-K336 WeakPolarHBondContact O-CB 3.06Å; P333-K336 PolarHBondContact O-N 3.33Å; K336-M338 VanDerWaalsContact C-N 3.27Å; K336-M338 PolarHBondContact O-N 3.14Å
337K59.4Low76.8Confident187 Ų18752.2 Ų52.281%0.81328%0.279SS*.Hα-helixtrans-72.5-19176.4-67.5-174.1178.2-175.20113.6P333 Q334 F335P333-K337 PolarHBondContact O-N 3.32Å; Q334-K337 PolarHBondContact O-N 2.87Å; F335-K337 VanDerWaalsContact C-N 3.26Å; F335-K337 PolarHBondContact O-N 2.92Å
338M60.1Low77.4Confident83 Ų8350.2 Ų50.241%0.40926%0.262SS..Hα-helixtrans-102-22.4-170.6-69.3168.264.600114F308 K312 Q334 F335 K336F308-M338 HydrophobicContact CZ-CB 4Å; K312-M338 HydrophobicContact CD-CE 3.3Å; K312-M338 VanDerWaalsContact CE-CE 3.49Å; K312-M338 VanDerWaalsContact NZ-CE 3.29Å; Q334-M338 HydrophobicContact CB-SD 4.43Å; Q334-M338 WeakPolarHBondContact O-CB 3.5Å; Q334-M338 WeakPolarHBondContact O-CG 3.46Å; Q334-M338 PolarHBondContact O-N 3.13Å; F335-M338 PolarHBondContact O-N 3.22Å; K336-M338 VanDerWaalsContact C-N 3.27Å; K336-M338 PolarHBondContact O-N 3.14Å
339S74.3Confident78.1Confident24 Ų2450.1 Ų50.117%0.16826%0.262CS..  trans-14899.2169.7-175.70000111.7F335 T341 V342 S343F335-S339 PolarHBondContact O-N 3.39Å; F335-S339 VanDerWaalsContact O-N 3.08Å; S339-T341 VanDerWaalsContact C-N 3.28Å; S339-T341 PolarHBondContact O-N 3.44Å; S339-V342 PolarHBondContact O-N 3.23Å; S339-V342 VanDerWaalsContact OG-CG2 3.25Å; S339-V342 WeakPolarHBondContact OG-CG2 3.41Å; S339-V342 PolarHBondContact OG-N 2.88Å; S339-S343 PolarHBondContact O-N 2.89Å
340G80.5Confident78.8Confident49 Ų4950.3 Ų50.351%0.50527%0.266SS..Hα-helixtrans-60.3-38.2174.300000112.3K344G340-K344 WeakPolarHBondContact O-CB 3.06Å; G340-K344 PolarHBondContact O-N 3.08Å
341T84Confident79.6Confident54 Ų5447.7 Ų47.733%0.33125%0.251SS..Hα-helixtrans-63.5-46.4179.5-54.40000112.5F285 S339 K344 H345F285-T341 HydrophobicContact CB-CG2 3.75Å; S339-T341 VanDerWaalsContact C-N 3.28Å; S339-T341 PolarHBondContact O-N 3.44Å; T341-K344 PolarHBondContact O-N 2.99Å; T341-H345 PolarHBondContact O-CD2 3.31Å; T341-H345 VanDerWaalsContact O-CD2 3.25Å; T341-H345 PolarHBondContact O-N 3.16Å
342V83.6Confident80.5Confident11 Ų1142 Ų427%0.06722%0.221CC..Hα-helixtrans-62.6-51.5178.2173.40000109.9L304 F308 S339 K344 H345 V346L304-V342 HydrophobicContact CD1-CG2 4.45Å; L304-V342 HydrophobicContact CD2-CB 4.48Å; L304-V342 HydrophobicContact CD2-CG2 3.77Å; L304-V342 HydrophobicContact CG-CG2 3.87Å; F308-V342 HydrophobicContact CD2-CG2 4.43Å; S339-V342 PolarHBondContact O-N 3.23Å; S339-V342 VanDerWaalsContact OG-CG2 3.25Å; S339-V342 WeakPolarHBondContact OG-CG2 3.41Å; S339-V342 PolarHBondContact OG-N 2.88Å; V342-K344 VanDerWaalsContact C-N 3.29Å; V342-K344 PolarHBondContact O-N 2.92Å; V342-H345 PolarHBondContact O-N 3.02Å; V342-V346 HydrophobicContact CG1-CG2 4.11Å; V342-V346 VanDerWaalsContact O-CB 3.32Å; V342-V346 WeakPolarHBondContact O-CB 3.49Å; V342-V346 VanDerWaalsContact O-CG2 3.23Å; V342-V346 WeakPolarHBondContact O-CG2 3.42Å; V342-V346 PolarHBondContact O-N 2.78Å
343S85.1Confident81.5Confident7 Ų740 Ų405%0.04922%0.218CC..Hα-helixtrans-57.8-44.9179.6-173.50000111.2S339 T347S339-S343 PolarHBondContact O-N 2.89Å; S343-T347 WeakPolarHBondContact O-CB 3.31Å; S343-T347 PolarHBondContact O-N 3.21Å; S343-T347 VanDerWaalsContact O-N 3.07Å; S343-T347 PolarHBondContact O-OG1 3.4Å
344K89.9Confident82.9Confident44 Ų4440.2 Ų40.219%0.19121%0.209CC..Hα-helixtrans-57.2-58179.6-172.8-164.1-57-179.70111.7V276 V277 L278 D283 G340 T341 V342 T347 V348V276-K344 HydrophobicContact CG1-CD 3.61Å; V276-K344 HydrophobicContact CG1-CG 3.36Å; V277-K344 PolarHBondContact O-NZ 3.4Å; L278-K344 HydrophobicContact CD2-CD 3.94Å; D283-K344 IonicContact OD2-NZ 3.93Å; D283-K344 PolarHBondContact OD2-NZ 3.24Å; G340-K344 WeakPolarHBondContact O-CB 3.06Å; G340-K344 PolarHBondContact O-N 3.08Å; T341-K344 PolarHBondContact O-N 2.99Å; V342-K344 VanDerWaalsContact C-N 3.29Å; V342-K344 PolarHBondContact O-N 2.92Å; K344-T347 PolarHBondContact O-N 2.93Å; K344-V348 WeakPolarHBondContact O-CG2 3.42Å; K344-V348 PolarHBondContact O-N 3.16Å
345H91.9Very high84.4Confident0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-75-32.3-172.3-68-61.9000113.4Y246 D283 F285 I301 T341 V342 T347 V348 V349Y246-H345 AromaticContact CE1-ND1 3.9Å; Y246-H345 AromaticContact CZ-ND1 3.7Å; Y246-H345 PolarHBondContact OH-ND1 2.75Å; D283-H345 IonicContact OD1-NE2 2.95Å; D283-H345 PolarHBondContact OD1-NE2 3.45Å; D283-H345 IonicContact OD2-CE1 3.65Å; D283-H345 IonicContact OD2-NE2 3.77Å; D283-H345 PolarHBondContact OD2-NE2 3.07Å; D283-H345 VanDerWaalsContact OD2-NE2 3.12Å; F285-H345 HydrophobicContact CD1-CB 4.05Å; F285-H345 AromaticContact CD1-CD2 3.22Å; F285-H345 WeakPolarHBondContact CD1-CD2 3.12Å; F285-H345 AromaticContact CD1-CE1 3.99Å; F285-H345 AromaticContact CD1-CG 3.5Å; F285-H345 VanDerWaalsContact CD1-CG 3.5Å; F285-H345 AromaticContact CD1-ND1 3.98Å; F285-H345 AromaticContact CD1-NE2 3.56Å; F285-H345 HydrophobicContact CE1-CB 3.85Å; F285-H345 AromaticContact CE1-CD2 3.94Å; F285-H345 AromaticContact CE1-CG 3.74Å; F285-H345 AromaticContact CG-CD2 3.9Å; I301-H345 HydrophobicContact CD1-CB 4.31Å; T341-H345 PolarHBondContact O-CD2 3.31Å; T341-H345 VanDerWaalsContact O-CD2 3.25Å; T341-H345 PolarHBondContact O-N 3.16Å; V342-H345 PolarHBondContact O-N 3.02Å; H345-T347 VanDerWaalsContact C-N 3.33Å; H345-V348 PolarHBondContact O-N 2.78Å; H345-V349 WeakPolarHBondContact O-CB 3.46Å; H345-V349 WeakPolarHBondContact O-CG2 3.31Å; H345-V349 PolarHBondContact O-N 3.14Å
346V89.9Confident85.9Confident1 Ų133.2 Ų33.21%0.00618%0.178CC..Hα-helixtrans-61.7-43.4171171.10000110.4I301 M325 K326 V329 V342 G350I301-V346 HydrophobicContact CG2-CG2 3.7Å; M325-V346 HydrophobicContact CB-CG1 4.08Å; K326-V346 HydrophobicContact CB-CG1 4.11Å; V329-V346 HydrophobicContact CG2-CB 4.43Å; V329-V346 HydrophobicContact CG2-CG1 4.17Å; V342-V346 HydrophobicContact CG1-CG2 4.11Å; V342-V346 VanDerWaalsContact O-CB 3.32Å; V342-V346 WeakPolarHBondContact O-CB 3.49Å; V342-V346 VanDerWaalsContact O-CG2 3.23Å; V342-V346 WeakPolarHBondContact O-CG2 3.42Å; V342-V346 PolarHBondContact O-N 2.78Å; V346-G350 WeakPolarHBondContact O-CA 3.14Å; V346-G350 PolarHBondContact O-N 3.35Å
347T91.1Very high87.4Confident5 Ų534.4 Ų34.43%0.03119%0.193CC..Hα-helixtrans-64.6-47.6177.2-63.60000111.9L263 I269 L273 S343 K344 H345 G350 E351L263-T347 HydrophobicContact CD1-CG2 4.14Å; I269-T347 HydrophobicContact CD1-CG2 3.56Å; L273-T347 HydrophobicContact CD1-CG2 4.22Å; S343-T347 WeakPolarHBondContact O-CB 3.31Å; S343-T347 PolarHBondContact O-N 3.21Å; S343-T347 VanDerWaalsContact O-N 3.07Å; S343-T347 PolarHBondContact O-OG1 3.4Å; K344-T347 PolarHBondContact O-N 2.93Å; H345-T347 VanDerWaalsContact C-N 3.33Å; T347-G350 PolarHBondContact O-N 3.06Å; T347-E351 PolarHBondContact O-N 3.39Å
348V94.3Very high89Confident0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-61.1-52.4179.8172.30000110.9Y246 V250 L254 I261 L263 V276 K344 H345 G350 E351 L352Y246-V348 HydrophobicContact CE2-CG1 4.19Å; V250-V348 HydrophobicContact CG2-CG1 3.91Å; L254-V348 HydrophobicContact CD1-CG1 4.07Å; I261-V348 HydrophobicContact CD1-CG1 4.35Å; I261-V348 HydrophobicContact CD1-CG2 3.55Å; L263-V348 HydrophobicContact CD1-CG2 4.34Å; V276-V348 HydrophobicContact CG1-CG2 4.42Å; K344-V348 WeakPolarHBondContact O-CG2 3.42Å; K344-V348 PolarHBondContact O-N 3.16Å; H345-V348 PolarHBondContact O-N 2.78Å; V348-G350 VanDerWaalsContact C-N 3.32Å; V348-G350 PolarHBondContact O-N 3.43Å; V348-E351 PolarHBondContact O-N 3.04Å; V348-E351 VanDerWaalsContact O-N 3.13Å; V348-L352 HydrophobicContact CG1-CD1 4.37Å; V348-L352 WeakPolarHBondContact O-CG 3.01Å; V348-L352 PolarHBondContact O-N 3.07Å
349V93.9Very high90.6Very high1 Ų128.7 Ų28.71%0.00617%0.167CC..Hα-helixtrans-69.6-31.8-178.2174.10000112.2Y246 F294 I297 I301 I322 H345 E351 L352 S353Y246-V349 HydrophobicContact CE2-CG2 3.78Å; F294-V349 HydrophobicContact CE2-CG1 4.14Å; I297-V349 HydrophobicContact CG2-CG2 3.76Å; I301-V349 HydrophobicContact CD1-CB 3.45Å; I301-V349 VanDerWaalsContact CD1-CB 3.45Å; I301-V349 HydrophobicContact CD1-CG1 3.84Å; I301-V349 HydrophobicContact CD1-CG2 3.3Å; I322-V349 HydrophobicContact CD1-CG1 3.91Å; I322-V349 HydrophobicContact CG2-CG1 4.44Å; H345-V349 WeakPolarHBondContact O-CB 3.46Å; H345-V349 WeakPolarHBondContact O-CG2 3.31Å; H345-V349 PolarHBondContact O-N 3.14Å; V349-E351 VanDerWaalsContact C-N 3.31Å; V349-E351 PolarHBondContact O-N 2.94Å; V349-L352 HydrophobicContact CG2-CD1 4.47Å; V349-L352 PolarHBondContact O-N 3.33Å; V349-S353 WeakPolarHBondContact O-CB 3.38Å; V349-S353 PolarHBondContact O-N 3.24Å
350G92.7Very high91.6Very high10 Ų1029.3 Ų29.310%0.10317%0.167CC..Hα-helixtrans-59.9-40.2169.900000112.7V346 T347 V348 R354V346-G350 WeakPolarHBondContact O-CA 3.14Å; V346-G350 PolarHBondContact O-N 3.35Å; T347-G350 PolarHBondContact O-N 3.06Å; V348-G350 VanDerWaalsContact C-N 3.32Å; V348-G350 PolarHBondContact O-N 3.43Å; G350-R354 PolarHBondContact O-N 2.86Å
351E94.6Very high92.3Very high7 Ų727 Ų273%0.03314%0.143CC..Hα-helixtrans-70.8-41.7175-177.960.1-169.100112.5L254 V266 T347 V348 V349 S353 R354 L355L254-E351 HydrophobicContact CD2-CG 3.76Å; V266-E351 HydrophobicContact CG1-CG 4.43Å; V266-E351 WeakPolarHBondContact CG1-OE2 3.17Å; V266-E351 HydrophobicContact CG2-CG 3.74Å; T347-E351 PolarHBondContact O-N 3.39Å; V348-E351 PolarHBondContact O-N 3.04Å; V348-E351 VanDerWaalsContact O-N 3.13Å; V349-E351 VanDerWaalsContact C-N 3.31Å; V349-E351 PolarHBondContact O-N 2.94Å; E351-S353 VanDerWaalsContact C-N 3.3Å; E351-S353 PolarHBondContact O-N 3.17Å; E351-R354 WeakPolarHBondContact O-CB 3.13Å; E351-R354 PolarHBondContact O-N 3.15Å; E351-R354 VanDerWaalsContact O-N 3.16Å; E351-R354 IonicContact OE1-CZ 3.53Å; E351-R354 IonicContact OE1-NE 3.77Å; E351-R354 PolarHBondContact OE1-NE 2.99Å; E351-R354 IonicContact OE1-NH2 2.63Å; E351-R354 PolarHBondContact OE1-NH2 3.1Å; E351-R354 IonicContact OE2-CZ 3.4Å; E351-R354 IonicContact OE2-NE 3.86Å; E351-R354 PolarHBondContact OE2-NE 3.04Å; E351-R354 IonicContact OE2-NH2 3.78Å; E351-L355 HydrophobicContact CG-CD1 4.21Å; E351-L355 HydrophobicContact CG-CG 4.5Å; E351-L355 WeakPolarHBondContact O-CG 3.32Å; E351-L355 PolarHBondContact O-N 3.39Å
352L95.6Very high92.8Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-56.6-46.6173.5-64177.7000111Y246 M249 V250 L253 L254 F294 V348 V349 R354 L355 V356Y246-L352 HydrophobicContact CD2-CD1 4.42Å; Y246-L352 HydrophobicContact CE2-CD1 4.24Å; M249-L352 HydrophobicContact CE-CB 4.13Å; M249-L352 HydrophobicContact CG-CD1 4.32Å; M249-L352 HydrophobicContact CG-CD2 4.27Å; M249-L352 HydrophobicContact SD-CB 4.47Å; M249-L352 HydrophobicContact SD-CD1 4.1Å; V250-L352 HydrophobicContact CG2-CD1 3.94Å; L253-L352 HydrophobicContact CB-CD2 3.96Å; L253-L352 HydrophobicContact CD1-CD2 4.02Å; L253-L352 HydrophobicContact CG-CD2 4.48Å; L254-L352 HydrophobicContact CD1-CD2 3.76Å; L254-L352 HydrophobicContact CD1-CG 4.32Å; L254-L352 HydrophobicContact CG-CD2 3.9Å; F294-L352 HydrophobicContact CE2-CB 4.01Å; F294-L352 HydrophobicContact CE2-CD1 4.5Å; F294-L352 HydrophobicContact CZ-CB 4.44Å; V348-L352 HydrophobicContact CG1-CD1 4.37Å; V348-L352 WeakPolarHBondContact O-CG 3.01Å; V348-L352 PolarHBondContact O-N 3.07Å; V349-L352 HydrophobicContact CG2-CD1 4.47Å; V349-L352 PolarHBondContact O-N 3.33Å; L352-R354 VanDerWaalsContact C-N 3.33Å; L352-R354 PolarHBondContact O-N 3.05Å; L352-L355 PolarHBondContact O-N 2.96Å; L352-V356 VanDerWaalsContact O-CG2 3.29Å; L352-V356 WeakPolarHBondContact O-CG2 3.17Å; L352-V356 PolarHBondContact O-N 2.57Å
353S94.8Very high93.3Very high38 Ų3830 Ų3027%0.26615%0.154SC..Hα-helixtrans-61.3-39.3177.2-177.10000112.4V349 E351 S357V349-S353 WeakPolarHBondContact O-CB 3.38Å; V349-S353 PolarHBondContact O-N 3.24Å; E351-S353 VanDerWaalsContact C-N 3.3Å; E351-S353 PolarHBondContact O-N 3.17Å; S353-S357 PolarHBondContact O-N 3.14Å; S353-S357 PolarHBondContact O-OG 3Å
354R94.8Very high93.9Very high87 Ų8729.7 Ų29.733%0.32815%0.151SC..Hα-helixtrans-62.3-48176-168-170.172.5728.6111.1G350 E351 L352 S357 E358G350-R354 PolarHBondContact O-N 2.86Å; E351-R354 WeakPolarHBondContact O-CB 3.13Å; E351-R354 PolarHBondContact O-N 3.15Å; E351-R354 VanDerWaalsContact O-N 3.16Å; E351-R354 IonicContact OE1-CZ 3.53Å; E351-R354 IonicContact OE1-NE 3.77Å; E351-R354 PolarHBondContact OE1-NE 2.99Å; E351-R354 IonicContact OE1-NH2 2.63Å; E351-R354 PolarHBondContact OE1-NH2 3.1Å; E351-R354 IonicContact OE2-CZ 3.4Å; E351-R354 IonicContact OE2-NE 3.86Å; E351-R354 PolarHBondContact OE2-NE 3.04Å; E351-R354 IonicContact OE2-NH2 3.78Å; L352-R354 VanDerWaalsContact C-N 3.33Å; L352-R354 PolarHBondContact O-N 3.05Å; R354-S357 PolarHBondContact O-N 3.04Å; R354-E358 IonicContact CZ-OE2 3.03Å; R354-E358 IonicContact NH1-OE2 2.62Å; R354-E358 PolarHBondContact NH1-OE2 3.05Å; R354-E358 IonicContact NH2-OE2 3.71Å; R354-E358 VanDerWaalsContact O-CB 3.31Å; R354-E358 WeakPolarHBondContact O-CB 3.31Å; R354-E358 PolarHBondContact O-N 2.91Å
355L95.1Very high94.2Very high21 Ų2127.6 Ų27.611%0.1114%0.142CC..Hα-helixtrans-65.2-40-179.6-69.7173.1000112.5L253 L254 E351 L352 S357 R359L253-L355 HydrophobicContact CB-CD1 4.01Å; L253-L355 HydrophobicContact CD1-CB 4.36Å; L254-L355 HydrophobicContact CD2-CD1 3.75Å; E351-L355 HydrophobicContact CG-CD1 4.21Å; E351-L355 HydrophobicContact CG-CG 4.5Å; E351-L355 WeakPolarHBondContact O-CG 3.32Å; E351-L355 PolarHBondContact O-N 3.39Å; L352-L355 PolarHBondContact O-N 2.96Å; L355-S357 VanDerWaalsContact C-N 3.34Å; L355-S357 PolarHBondContact O-N 3.09Å; L355-R359 WeakPolarHBondContact O-CB 3.4Å; L355-R359 PolarHBondContact O-N 2.83Å
356V95.2Very high94.4Very high11 Ų1131.9 Ų31.97%0.06716%0.162CC..Hα-helixtrans-58.5-47.1174.9168.10000111.1W244 M249 L253 L352 Q360 L361 M362W244-V356 HydrophobicContact CH2-CG1 4.12Å; W244-V356 HydrophobicContact CH2-CG2 4.16Å; W244-V356 HydrophobicContact CZ3-CG1 4.32Å; W244-V356 HydrophobicContact CZ3-CG2 3.97Å; M249-V356 HydrophobicContact CE-CG2 3.31Å; L253-V356 HydrophobicContact CD1-CG2 4.38Å; L352-V356 VanDerWaalsContact O-CG2 3.29Å; L352-V356 WeakPolarHBondContact O-CG2 3.17Å; L352-V356 PolarHBondContact O-N 2.57Å; V356-Q360 WeakPolarHBondContact O-CA 3.11Å; V356-Q360 PolarHBondContact O-N 3.33Å; V356-Q360 VanDerWaalsContact O-N 3.11Å; V356-L361 HydrophobicContact CG1-CB 4.38Å; V356-L361 HydrophobicContact CG2-CB 4.45Å; V356-L361 HydrophobicContact CG2-CD1 4.16Å; V356-L361 PolarHBondContact O-N 3.41Å; V356-M362 HydrophobicContact CG1-CG 3.91Å; V356-M362 HydrophobicContact CG1-SD 4.06Å
357S94.1Very high94.6Very high83 Ų8331.9 Ų31.958%0.5816%0.162SC*.Hα-helixtrans-69.7-44.6179.8-63.30000112.6S353 R354 L355 R359 Q360S353-S357 PolarHBondContact O-N 3.14Å; S353-S357 PolarHBondContact O-OG 3Å; R354-S357 PolarHBondContact O-N 3.04Å; L355-S357 VanDerWaalsContact C-N 3.34Å; L355-S357 PolarHBondContact O-N 3.09Å; S357-R359 VanDerWaalsContact C-N 3.35Å; S357-R359 PolarHBondContact O-N 3.21Å; S357-Q360 PolarHBondContact O-N 3.41Å
358E94Very high94.9Very high107 Ų10731.6 Ų31.650%0.516%0.161SC..Hα-helixtrans-62-41.8-178.4-177.3179.2-171.100112R354R354-E358 IonicContact CZ-OE2 3.03Å; R354-E358 IonicContact NH1-OE2 2.62Å; R354-E358 PolarHBondContact NH1-OE2 3.05Å; R354-E358 IonicContact NH2-OE2 3.71Å; R354-E358 VanDerWaalsContact O-CB 3.31Å; R354-E358 WeakPolarHBondContact O-CB 3.31Å; R354-E358 PolarHBondContact O-N 2.91Å
359R93.8Very high94.9Very high42 Ų4232 Ų3216%0.15816%0.162CC..THydrogen-bonded Turntrans-96.93.7-175.8-64.3166.859.5-171.7-3.3114L355 S357 L361 D397L355-R359 WeakPolarHBondContact O-CB 3.4Å; L355-R359 PolarHBondContact O-N 2.83Å; S357-R359 VanDerWaalsContact C-N 3.35Å; S357-R359 PolarHBondContact O-N 3.21Å; R359-L361 VanDerWaalsContact C-N 3.27Å; R359-L361 HydrophobicContact CB-CD2 3.6Å; R359-L361 HydrophobicContact CB-CG 3.83Å; R359-L361 PolarHBondContact O-N 3.46Å; R359-D397 IonicContact CZ-OD1 3.09Å; R359-D397 IonicContact CZ-OD2 2.7Å; R359-D397 IonicContact NE-OD2 3.38Å; R359-D397 PolarHBondContact NE-OD2 2.96Å; R359-D397 IonicContact NH2-OD1 3.23Å; R359-D397 PolarHBondContact NH2-OD1 3.17Å; R359-D397 IonicContact NH2-OD2 3.43Å; R359-D397 PolarHBondContact NH2-OD2 3.42Å
360Q94.4Very high94.8Very high37 Ų3732.4 Ų32.417%0.17316%0.164CC..THydrogen-bonded Turntrans49.744.4-174.5-66.4-176.2-86.700113.5V356 S357 M362 E363 V364 N390 R392V356-Q360 WeakPolarHBondContact O-CA 3.11Å; V356-Q360 PolarHBondContact O-N 3.33Å; V356-Q360 VanDerWaalsContact O-N 3.11Å; S357-Q360 PolarHBondContact O-N 3.41Å; Q360-M362 PolarHBondContact O-N 3.26Å; Q360-M362 VanDerWaalsContact O-N 3.13Å; Q360-E363 PolarHBondContact NE2-OE1 3.44Å; Q360-E363 PolarHBondContact O-N 2.8Å; Q360-V364 PolarHBondContact O-N 2.62Å; Q360-N390 PolarHBondContact OE1-ND2 3.12Å; Q360-N390 PolarHBondContact OE1-OD1 3.19Å; Q360-R392 HydrophobicContact CG-CB 4.44Å; Q360-R392 VanDerWaalsContact OE1-CB 3.3Å
361L96.2Very high94.8Very high2 Ų232 Ų321%0.0116%0.16CC..Hα-helixtrans-64.8-21.7-171.9-61.7-176000113.8W244 L253 V356 R359 S365W244-L361 HydrophobicContact CH2-CB 4.22Å; W244-L361 HydrophobicContact CZ2-CB 4.48Å; L253-L361 HydrophobicContact CD1-CD1 3.94Å; L253-L361 HydrophobicContact CD2-CD1 3.64Å; L253-L361 HydrophobicContact CG-CD1 4.47Å; V356-L361 HydrophobicContact CG1-CB 4.38Å; V356-L361 HydrophobicContact CG2-CB 4.45Å; V356-L361 HydrophobicContact CG2-CD1 4.16Å; V356-L361 PolarHBondContact O-N 3.41Å; R359-L361 VanDerWaalsContact C-N 3.27Å; R359-L361 HydrophobicContact CB-CD2 3.6Å; R359-L361 HydrophobicContact CB-CG 3.83Å; R359-L361 PolarHBondContact O-N 3.46Å; L361-S365 WeakPolarHBondContact O-CB 3.32Å; L361-S365 PolarHBondContact O-N 2.87Å
362M94.1Very high94.6Very high70 Ų7032.1 Ų32.135%0.34516%0.162SC..Hα-helixtrans-63-50.2174.6-58.9-62.5-74.100111.2W244 V356 Q360 S365 E366 Y477W244-M362 HydrophobicContact CH2-CG 4.31Å; W244-M362 HydrophobicContact CH2-SD 3.22Å; W244-M362 WeakPolarHBondContact CH2-SD 3.48Å; W244-M362 HydrophobicContact CZ2-SD 3.96Å; W244-M362 HydrophobicContact CZ3-SD 3.6Å; W244-M362 VanDerWaalsContact CZ3-SD 3.6Å; V356-M362 HydrophobicContact CG1-CG 3.91Å; V356-M362 HydrophobicContact CG1-SD 4.06Å; Q360-M362 PolarHBondContact O-N 3.26Å; Q360-M362 VanDerWaalsContact O-N 3.13Å; M362-S365 PolarHBondContact O-N 2.95Å; M362-E366 PolarHBondContact O-N 2.92Å; M362-Y477 HydrophobicContact CB-CE1 4.43Å; M362-Y477 HydrophobicContact CE-CD2 3.94Å; M362-Y477 HydrophobicContact CE-CE1 4.07Å; M362-Y477 HydrophobicContact CE-CE2 3.3Å; M362-Y477 WeakPolarHBondContact O-CE1 3.3Å
363E94.9Very high94.2Very high58 Ų5834 Ų3427%0.27118%0.175SC..Hα-helixtrans-68.9-38.8178.8-66.5-179.7-12800111.5Q360 V367 R386 L387Q360-E363 PolarHBondContact NE2-OE1 3.44Å; Q360-E363 PolarHBondContact O-N 2.8Å; E363-V367 PolarHBondContact O-N 2.85Å; E363-R386 IonicContact OE2-CZ 3.55Å; E363-R386 IonicContact OE2-NH1 2.81Å; E363-R386 PolarHBondContact OE2-NH1 3.49Å; E363-R386 IonicContact OE2-NH2 3.67Å; E363-L387 HydrophobicContact CB-CD2 4.15Å
364V97.4Very high93.8Very high0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-61.5-49.1175.81750000110Q360 E366 V367 E368 L387 V393 D397 L401Q360-V364 PolarHBondContact O-N 2.62Å; V364-E366 PolarHBondContact O-N 3.4Å; V364-V367 PolarHBondContact O-N 3.28Å; V364-E368 HydrophobicContact CG1-CG 4.33Å; V364-E368 WeakPolarHBondContact CG1-OE1 3.35Å; V364-E368 WeakPolarHBondContact O-CG 3.28Å; V364-E368 PolarHBondContact O-N 3.11Å; V364-L387 HydrophobicContact CG2-CD1 4.44Å; V364-V393 HydrophobicContact CG2-CG1 4.27Å; V364-V393 HydrophobicContact CG2-CG2 4.15Å; V364-D397 HydrophobicContact CG1-CB 4.19Å; V364-L401 HydrophobicContact CG1-CD1 4.42Å; V364-L401 HydrophobicContact CG1-CD2 4.3Å; V364-L401 HydrophobicContact CG1-CG 4.36Å
365S96.3Very high93.1Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-66.2-35.6-177.4-172.20000112.8W244 L361 M362 V367 E368 Q369W244-S365 PolarHBondContact NE1-OG 3.34Å; L361-S365 WeakPolarHBondContact O-CB 3.32Å; L361-S365 PolarHBondContact O-N 2.87Å; M362-S365 PolarHBondContact O-N 2.95Å; S365-V367 VanDerWaalsContact C-N 3.31Å; S365-V367 PolarHBondContact O-N 3.46Å; S365-E368 WeakPolarHBondContact O-CB 3.45Å; S365-E368 PolarHBondContact O-N 3.31Å; S365-Q369 VanDerWaalsContact O-CG 3.26Å; S365-Q369 WeakPolarHBondContact O-CG 3.47Å; S365-Q369 PolarHBondContact O-N 2.99Å
366E94.4Very high92.8Very high89 Ų8939.9 Ų39.942%0.41621%0.207SC..Hα-helixtrans-55.4-47.1173.2-177.9176.5-161.500111.8M362 V364 Q369 E370 V476 Y477M362-E366 PolarHBondContact O-N 2.92Å; V364-E366 PolarHBondContact O-N 3.4Å; E366-Q369 PolarHBondContact O-N 3.16Å; E366-E370 PolarHBondContact O-N 2.8Å; E366-V476 HydrophobicContact CG-CG1 4.13Å; E366-Y477 HydrophobicContact CB-CE1 4.31Å
367V96.1Very high92.6Very high1 Ų140.3 Ų40.31%0.00621%0.209CC..Hα-helixtrans-70-34.5177.6-177.50000111.7E363 V364 S365 Q369 E370 L371 N383 V384 L387 L401E363-V367 PolarHBondContact O-N 2.85Å; V364-V367 PolarHBondContact O-N 3.28Å; S365-V367 VanDerWaalsContact C-N 3.31Å; S365-V367 PolarHBondContact O-N 3.46Å; V367-Q369 VanDerWaalsContact C-N 3.33Å; V367-Q369 PolarHBondContact O-N 3.26Å; V367-E370 PolarHBondContact O-N 2.97Å; V367-L371 HydrophobicContact CG1-CD1 4.15Å; V367-L371 HydrophobicContact CG1-CG 4.41Å; V367-L371 WeakPolarHBondContact O-CB 3.44Å; V367-L371 VanDerWaalsContact O-CG 3.24Å; V367-L371 WeakPolarHBondContact O-CG 3.46Å; V367-L371 PolarHBondContact O-N 3.46Å; V367-N383 HydrophobicContact CG1-CB 4.04Å; V367-N383 HydrophobicContact CG2-CB 3.79Å; V367-V384 HydrophobicContact CG1-CG2 3.89Å; V367-L387 HydrophobicContact CB-CD1 3.91Å; V367-L387 HydrophobicContact CG1-CD1 4.43Å; V367-L387 HydrophobicContact CG2-CD1 3.52Å; V367-L387 HydrophobicContact CG2-CG 4.47Å; V367-L401 HydrophobicContact CB-CD2 4.07Å; V367-L401 HydrophobicContact CG1-CD2 3.95Å
368E96.5Very high92.5Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-59.8-43.3172.3-68.7172174.200111.8L241 N242 V364 S365 L371 A372 R400 L401 L404L241-E368 HydrophobicContact CD2-CB 3.81Å; N242-E368 VanDerWaalsContact CB-OE2 3.24Å; N242-E368 WeakPolarHBondContact CB-OE2 3.3Å; N242-E368 PolarHBondContact N-OE2 3.13Å; N242-E368 PolarHBondContact ND2-OE1 2.88Å; N242-E368 PolarHBondContact ND2-OE2 3.27Å; V364-E368 HydrophobicContact CG1-CG 4.33Å; V364-E368 WeakPolarHBondContact CG1-OE1 3.35Å; V364-E368 WeakPolarHBondContact O-CG 3.28Å; V364-E368 PolarHBondContact O-N 3.11Å; S365-E368 WeakPolarHBondContact O-CB 3.45Å; S365-E368 PolarHBondContact O-N 3.31Å; E368-L371 PolarHBondContact O-N 2.87Å; E368-A372 WeakPolarHBondContact O-CB 3.38Å; E368-A372 PolarHBondContact O-N 2.92Å; E368-R400 WeakPolarHBondContact OE1-CD 3.23Å; E368-R400 IonicContact OE1-CZ 2.91Å; E368-R400 IonicContact OE1-NE 3.71Å; E368-R400 IonicContact OE1-NH1 3.42Å; E368-R400 PolarHBondContact OE1-NH1 3.36Å; E368-L401 HydrophobicContact CG-CD2 3.72Å; E368-L404 HydrophobicContact CB-CD1 3.87Å; E368-L404 HydrophobicContact CG-CD1 3.67Å
369Q93.4Very high92.5Very high7 Ų738.1 Ų38.13%0.03320%0.201CC..Hα-helixtrans-68.4-39.8178-64.5-66.2-43.700111.5S365 E366 V367 A372 C373 V476 Y477S365-Q369 VanDerWaalsContact O-CG 3.26Å; S365-Q369 WeakPolarHBondContact O-CG 3.47Å; S365-Q369 PolarHBondContact O-N 2.99Å; E366-Q369 PolarHBondContact O-N 3.16Å; V367-Q369 VanDerWaalsContact C-N 3.33Å; V367-Q369 PolarHBondContact O-N 3.26Å; Q369-A372 PolarHBondContact O-N 2.83Å; Q369-C373 WeakPolarHBondContact O-CB 3.4Å; Q369-C373 PolarHBondContact O-N 2.83Å; Q369-C373 PolarHBondContact O-SG 3.24Å; Q369-C373 VanDerWaalsContact O-SG 3.41Å; Q369-V476 WeakPolarHBondContact CG-O 3.36Å; Q369-Y477 PolarHBondContact NE2-O 2.83Å
370E92.2Very high92.4Very high10 Ų1036.1 Ų36.15%0.04719%0.193CC..Hα-helixtrans-57-49.6171.4-179.9-178.9-176.200111.2E366 V367 A372 C373 Q374 N379 A380 N383E366-E370 PolarHBondContact O-N 2.8Å; V367-E370 PolarHBondContact O-N 2.97Å; E370-A372 VanDerWaalsContact C-N 3.3Å; E370-A372 PolarHBondContact O-N 3.48Å; E370-C373 PolarHBondContact O-N 3.01Å; E370-Q374 HydrophobicContact CG-CB 4.18Å; E370-Q374 HydrophobicContact CG-CG 4.46Å; E370-Q374 WeakPolarHBondContact O-CA 3.4Å; E370-Q374 WeakPolarHBondContact O-CB 3.3Å; E370-Q374 PolarHBondContact O-N 3.43Å; E370-N379 WeakPolarHBondContact OE1-CB 3.05Å; E370-N379 PolarHBondContact OE1-ND2 3.27Å; E370-A380 PolarHBondContact OE1-N 3.06Å; E370-A380 VanDerWaalsContact OE1-N 3.12Å; E370-N383 PolarHBondContact OE2-ND2 2.99Å
371L93Very high92.4Very high2 Ų236 Ų361%0.0119%0.192CC..Hα-helixtrans-63.8-34.5179.5-71.7169000113V367 E368 A380 V384 L401 L404 Y405 R408 Y409V367-L371 HydrophobicContact CG1-CD1 4.15Å; V367-L371 HydrophobicContact CG1-CG 4.41Å; V367-L371 WeakPolarHBondContact O-CB 3.44Å; V367-L371 VanDerWaalsContact O-CG 3.24Å; V367-L371 WeakPolarHBondContact O-CG 3.46Å; V367-L371 PolarHBondContact O-N 3.46Å; E368-L371 PolarHBondContact O-N 2.87Å; L371-A380 HydrophobicContact CD2-CB 3.86Å; L371-V384 HydrophobicContact CD1-CG2 3.9Å; L371-V384 HydrophobicContact CD2-CG2 4.35Å; L371-L401 HydrophobicContact CD1-CD2 4.26Å; L371-L404 HydrophobicContact CB-CB 4.17Å; L371-L404 HydrophobicContact CD1-CB 3.91Å; L371-Y405 HydrophobicContact CD2-CD2 4.03Å; L371-R408 WeakPolarHBondContact O-CG 3.33Å; L371-Y409 HydrophobicContact CD2-CE2 3.99Å
372A91.5Very high92.3Very high9 Ų942.3 Ų42.37%0.07422%0.222CC..Hα-helixtrans-78.5-39.4-179.200000112.8I237 L241 E368 Q369 E370 H480I237-A372 HydrophobicContact CG2-CB 4.09Å; L241-A372 HydrophobicContact CD1-CB 4.38Å; L241-A372 HydrophobicContact CD2-CB 4.22Å; E368-A372 WeakPolarHBondContact O-CB 3.38Å; E368-A372 PolarHBondContact O-N 2.92Å; Q369-A372 PolarHBondContact O-N 2.83Å; E370-A372 VanDerWaalsContact C-N 3.3Å; E370-A372 PolarHBondContact O-N 3.48Å; A372-H480 HydrophobicContact CB-CB 4.35Å
373C86.8Confident92.4Very high41 Ų4140.2 Ų40.228%0.27721%0.212SC..Hα-helixtrans-112.4-29-165.8-52.40000114.1Q369 E370 H480Q369-C373 WeakPolarHBondContact O-CB 3.4Å; Q369-C373 PolarHBondContact O-N 2.83Å; Q369-C373 PolarHBondContact O-SG 3.24Å; Q369-C373 VanDerWaalsContact O-SG 3.41Å; E370-C373 PolarHBondContact O-N 3.01Å; C373-H480 WeakPolarHBondContact SG-CA 3.49Å; C373-H480 PolarHBondContact SG-N 3.16Å; C373-H480 VanDerWaalsContact SG-N 3.42Å
374Q85.1Confident92.5Very high77 Ų7737.4 Ų37.436%0.3620%0.199SC..  trans-98.2163.4-171.3-56.3-176.816.700111.8E370 R408E370-Q374 HydrophobicContact CG-CB 4.18Å; E370-Q374 HydrophobicContact CG-CG 4.46Å; E370-Q374 WeakPolarHBondContact O-CA 3.4Å; E370-Q374 WeakPolarHBondContact O-CB 3.3Å; E370-Q374 PolarHBondContact O-N 3.43Å; Q374-R408 PolarHBondContact O-NE 3.08Å; Q374-R408 PolarHBondContact O-NH2 3.16Å
375N81.8Confident92.5Very high120 Ų12040.6 Ų40.664%0.64221%0.211SC*.  trans-123.642.9177.9-161.432.7000111.5R408N375-R408 PolarHBondContact OD1-NH2 3.13Å; N375-R408 VanDerWaalsContact OD1-NH2 3.15Å
376D88.2Confident92.5Very high72 Ų7245.9 Ų45.939%0.38523%0.231SC..  trans-107.594.1171.3-169.7-22.3000109.5S378 N379 A380 Y409D376-S378 PolarHBondContact OD1-N 3.34Å; D376-N379 HydrophobicContact CB-CB 4.17Å; D376-N379 VanDerWaalsContact CG-CB 3.42Å; D376-N379 PolarHBondContact OD1-N 3.45Å; D376-N379 WeakPolarHBondContact OD2-CB 3.34Å; D376-A380 WeakPolarHBondContact O-CB 3.39Å; D376-A380 PolarHBondContact O-N 2.91Å; D376-A380 VanDerWaalsContact O-N 3.13Å; D376-Y409 PolarHBondContact O-OH 2.9Å
377H91.6Very high92.6Very high20 Ų2041.6 Ų41.69%0.09321%0.211CC..Hα-helixtrans-68-37.7-178.4174.4-108000112.4Q381 Y405 Y409 H412 S414H377-Q381 PolarHBondContact CE1-NE2 3.06Å; H377-Q381 PolarHBondContact NE2-NE2 3.33Å; H377-Q381 WeakPolarHBondContact O-CB 3.47Å; H377-Q381 VanDerWaalsContact O-CG 3.25Å; H377-Q381 WeakPolarHBondContact O-CG 3.36Å; H377-Q381 PolarHBondContact O-N 3.43Å; H377-Y405 PolarHBondContact NE2-OH 2.99Å; H377-Y409 WeakPolarHBondContact CA-OH 2.83Å; H377-Y409 HydrophobicContact CB-CD1 4.48Å; H377-Y409 HydrophobicContact CB-CE1 3.84Å; H377-Y409 AromaticContact CD2-CD1 3.55Å; H377-Y409 AromaticContact CD2-CD2 3.96Å; H377-Y409 AromaticContact CD2-CE1 3.68Å; H377-Y409 AromaticContact CD2-CG 3.69Å; H377-Y409 AromaticContact CD2-CZ 3.94Å; H377-H412 AromaticContact CD2-CE1 3.89Å; H377-H412 AromaticContact CD2-CG 3.99Å; H377-H412 AromaticContact CD2-ND1 3.84Å; H377-H412 AromaticContact CE1-CE1 3.3Å; H377-H412 PolarHBondContact CE1-CE1 2.76Å; H377-H412 AromaticContact CE1-ND1 3.32Å; H377-H412 PolarHBondContact CE1-ND1 3.4Å; H377-H412 VanDerWaalsContact CE1-ND1 3.32Å; H377-H412 AromaticContact CG-CE1 3.59Å; H377-H412 AromaticContact CG-NE2 3.73Å; H377-H412 AromaticContact ND1-CE1 3.23Å; H377-H412 PolarHBondContact ND1-CE1 2.86Å; H377-H412 AromaticContact ND1-ND1 3.73Å; H377-H412 AromaticContact ND1-NE2 3.81Å; H377-H412 AromaticContact NE2-CE1 3.68Å; H377-H412 AromaticContact NE2-CG 3.84Å; H377-H412 AromaticContact NE2-ND1 3.36Å; H377-H412 PolarHBondContact NE2-ND1 2.85Å; H377-S414 PolarHBondContact CE1-O 2.99Å; H377-S414 VanDerWaalsContact CE1-O 3.23Å
378S91.6Very high92.6Very high86 Ų8641.9 Ų41.960%0.60121%0.212SC*.Hα-helixtrans-68.3-46.7-176.9-63.70000111.4D376 Q381 Q382D376-S378 PolarHBondContact OD1-N 3.34Å; S378-Q381 PolarHBondContact O-N 2.92Å; S378-Q382 PolarHBondContact O-N 3.07Å
379N92.6Very high92.5Very high58 Ų5848.8 Ų48.831%0.3124%0.244SC..Hα-helixtrans-65.5-45176.7-168.445.4000111.5E370 D376 Q381 Q382 N383E370-N379 WeakPolarHBondContact OE1-CB 3.05Å; E370-N379 PolarHBondContact OE1-ND2 3.27Å; D376-N379 HydrophobicContact CB-CB 4.17Å; D376-N379 VanDerWaalsContact CG-CB 3.42Å; D376-N379 PolarHBondContact OD1-N 3.45Å; D376-N379 WeakPolarHBondContact OD2-CB 3.34Å; N379-Q381 VanDerWaalsContact C-N 3.3Å; N379-Q381 PolarHBondContact O-N 3.24Å; N379-Q382 PolarHBondContact O-N 3.26Å; N379-Q382 VanDerWaalsContact O-N 3.09Å; N379-N383 PolarHBondContact ND2-ND2 3.28Å; N379-N383 WeakPolarHBondContact O-CB 3.49Å; N379-N383 PolarHBondContact O-N 3.33Å; N379-N383 PolarHBondContact O-ND2 3.3Å; N379-N383 PolarHBondContact OD1-ND2 3.44Å
380A92.2Very high92.6Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-57.5-42.117800000112.3E370 L371 D376 N383 V384 Y409E370-A380 PolarHBondContact OE1-N 3.06Å; E370-A380 VanDerWaalsContact OE1-N 3.12Å; L371-A380 HydrophobicContact CD2-CB 3.86Å; D376-A380 WeakPolarHBondContact O-CB 3.39Å; D376-A380 PolarHBondContact O-N 2.91Å; D376-A380 VanDerWaalsContact O-N 3.13Å; A380-N383 PolarHBondContact O-N 3.42Å; A380-V384 WeakPolarHBondContact O-CB 3.44Å; A380-V384 VanDerWaalsContact O-CG2 3.24Å; A380-V384 WeakPolarHBondContact O-CG2 3.16Å; A380-V384 PolarHBondContact O-N 3Å; A380-Y409 HydrophobicContact CB-CE2 4.11Å
381Q94.1Very high92.5Very high33 Ų3355.2 Ų55.215%0.15429%0.286CS..Hα-helixtrans-62.3-44.5176.1-76.4-175.1-19.600112.6H377 S378 N379 R385 Y405 S414 I416H377-Q381 PolarHBondContact CE1-NE2 3.06Å; H377-Q381 PolarHBondContact NE2-NE2 3.33Å; H377-Q381 WeakPolarHBondContact O-CB 3.47Å; H377-Q381 VanDerWaalsContact O-CG 3.25Å; H377-Q381 WeakPolarHBondContact O-CG 3.36Å; H377-Q381 PolarHBondContact O-N 3.43Å; S378-Q381 PolarHBondContact O-N 2.92Å; N379-Q381 VanDerWaalsContact C-N 3.3Å; N379-Q381 PolarHBondContact O-N 3.24Å; Q381-R385 WeakPolarHBondContact O-CG 3.16Å; Q381-R385 PolarHBondContact O-N 2.82Å; Q381-R385 VanDerWaalsContact O-N 3.14Å; Q381-Y405 HydrophobicContact CG-CE2 3.69Å; Q381-Y405 PolarHBondContact NE2-OH 3.38Å; Q381-S414 PolarHBondContact NE2-O 3.22Å; Q381-I416 HydrophobicContact CB-CD1 3.77Å; Q381-I416 HydrophobicContact CG-CD1 3.56Å; Q381-I416 HydrophobicContact CG-CG1 3.83Å
382Q95.3Very high92.5Very high135 Ų13563 Ų6363%0.63132%0.315SS*.Hα-helixtrans-64-44.6179.3-178.5175.4-8.600111.2S378 N379 R385 R386S378-Q382 PolarHBondContact O-N 3.07Å; N379-Q382 PolarHBondContact O-N 3.26Å; N379-Q382 VanDerWaalsContact O-N 3.09Å; Q382-R385 PolarHBondContact O-N 2.7Å; Q382-R386 WeakPolarHBondContact O-CB 3.28Å; Q382-R386 PolarHBondContact O-N 2.97Å
383N96.2Very high92.7Very high26 Ų2662.8 Ų62.814%0.13931%0.313CS..Hα-helixtrans-67.1-41.4-178.8-73.3-25.7000112.7V367 E370 N379 A380 R386 L387V367-N383 HydrophobicContact CG1-CB 4.04Å; V367-N383 HydrophobicContact CG2-CB 3.79Å; E370-N383 PolarHBondContact OE2-ND2 2.99Å; N379-N383 PolarHBondContact ND2-ND2 3.28Å; N379-N383 WeakPolarHBondContact O-CB 3.49Å; N379-N383 PolarHBondContact O-N 3.33Å; N379-N383 PolarHBondContact O-ND2 3.3Å; N379-N383 PolarHBondContact OD1-ND2 3.44Å; A380-N383 PolarHBondContact O-N 3.42Å; N383-R386 PolarHBondContact O-N 3.04Å; N383-L387 PolarHBondContact O-N 2.91Å; N383-L387 VanDerWaalsContact O-N 3.12Å
384V97.3Very high93Very high0 Ų062.6 Ų62.60%031%0.312CS..Hα-helixtrans-61.5-48.8174.3172.80000110.6V367 L371 A380 R386 L387 L388 L401 V402 L420V367-V384 HydrophobicContact CG1-CG2 3.89Å; L371-V384 HydrophobicContact CD1-CG2 3.9Å; L371-V384 HydrophobicContact CD2-CG2 4.35Å; A380-V384 WeakPolarHBondContact O-CB 3.44Å; A380-V384 VanDerWaalsContact O-CG2 3.24Å; A380-V384 WeakPolarHBondContact O-CG2 3.16Å; A380-V384 PolarHBondContact O-N 3Å; V384-R386 VanDerWaalsContact C-N 3.33Å; V384-R386 PolarHBondContact O-N 2.64Å; V384-L387 PolarHBondContact O-N 3.02Å; V384-L388 HydrophobicContact CG1-CD1 4.14Å; V384-L388 HydrophobicContact CG1-CG 4.28Å; V384-L388 WeakPolarHBondContact O-CG 3.36Å; V384-L388 PolarHBondContact O-N 3.39Å; V384-L401 HydrophobicContact CG1-CB 4.48Å; V384-V402 HydrophobicContact CG1-CG2 4.44Å; V384-L420 HydrophobicContact CG1-CD1 4.08Å; V384-L420 HydrophobicContact CG1-CD2 3.91Å
385R96.4Very high93.5Very high67 Ų6762.8 Ų62.825%0.25331%0.313SS..Hα-helixtrans-59.3-42.6178-72.3-174-170.3-90.23.8112.2Q381 Q382 L387 L388 Q389 I416 S419 L420 E423Q381-R385 WeakPolarHBondContact O-CG 3.16Å; Q381-R385 PolarHBondContact O-N 2.82Å; Q381-R385 VanDerWaalsContact O-N 3.14Å; Q382-R385 PolarHBondContact O-N 2.7Å; R385-L387 VanDerWaalsContact C-N 3.31Å; R385-L387 PolarHBondContact O-N 2.99Å; R385-L388 PolarHBondContact O-N 2.85Å; R385-Q389 WeakPolarHBondContact O-CG 3.31Å; R385-Q389 PolarHBondContact O-N 3.16Å; R385-Q389 VanDerWaalsContact O-N 3.14Å; R385-I416 HydrophobicContact CG-CD1 4.49Å; R385-S419 PolarHBondContact NH1-OG 2.91Å; R385-S419 PolarHBondContact NH2-OG 2.95Å; R385-S419 VanDerWaalsContact NH2-OG 3.09Å; R385-L420 HydrophobicContact CG-CD2 3.95Å; R385-E423 IonicContact CZ-OE1 3.15Å; R385-E423 IonicContact NH1-OE1 2.79Å; R385-E423 PolarHBondContact NH1-OE1 3.08Å
386R96.7Very high94.1Very high110 Ų11058.4 Ų58.442%0.41529%0.289SS..Hα-helixtrans-55.1-46.9176.4-178.9-179.969.395.3-2.1111.4E363 Q382 N383 V384 Q389 N390E363-R386 IonicContact OE2-CZ 3.55Å; E363-R386 IonicContact OE2-NH1 2.81Å; E363-R386 PolarHBondContact OE2-NH1 3.49Å; E363-R386 IonicContact OE2-NH2 3.67Å; Q382-R386 WeakPolarHBondContact O-CB 3.28Å; Q382-R386 PolarHBondContact O-N 2.97Å; N383-R386 PolarHBondContact O-N 3.04Å; V384-R386 VanDerWaalsContact C-N 3.33Å; V384-R386 PolarHBondContact O-N 2.64Å; R386-Q389 PolarHBondContact O-N 2.85Å; R386-N390 PolarHBondContact O-N 2.89Å
387L96.7Very high94.5Very high0 Ų055 Ų550%027%0.271CS..Hα-helixtrans-73.6-33.5-179.5-69.1179.7000113.1E363 V364 V367 N383 V384 R385 Q389 N390 V393 L401E363-L387 HydrophobicContact CB-CD2 4.15Å; V364-L387 HydrophobicContact CG2-CD1 4.44Å; V367-L387 HydrophobicContact CB-CD1 3.91Å; V367-L387 HydrophobicContact CG1-CD1 4.43Å; V367-L387 HydrophobicContact CG2-CD1 3.52Å; V367-L387 HydrophobicContact CG2-CG 4.47Å; N383-L387 PolarHBondContact O-N 2.91Å; N383-L387 VanDerWaalsContact O-N 3.12Å; V384-L387 PolarHBondContact O-N 3.02Å; R385-L387 VanDerWaalsContact C-N 3.31Å; R385-L387 PolarHBondContact O-N 2.99Å; L387-Q389 VanDerWaalsContact C-N 3.26Å; L387-Q389 PolarHBondContact O-N 3.44Å; L387-N390 WeakPolarHBondContact O-CB 3.3Å; L387-N390 PolarHBondContact O-N 2.71Å; L387-N390 VanDerWaalsContact O-N 3.11Å; L387-V393 HydrophobicContact CB-CG2 4.46Å; L387-V393 HydrophobicContact CD2-CG2 4.33Å; L387-L401 HydrophobicContact CB-CD1 3.83Å; L387-L401 HydrophobicContact CD1-CD1 3.63Å; L387-L401 HydrophobicContact CG-CD1 4.41Å
388L96.1Very high94.8Very high6 Ų654 Ų543%0.03127%0.267CS..Hα-helixtrans-62-35.9174.5-69.8-175.6000112.2V384 R385 N390 A398 V402 L420 E423 L424 K427V384-L388 HydrophobicContact CG1-CD1 4.14Å; V384-L388 HydrophobicContact CG1-CG 4.28Å; V384-L388 WeakPolarHBondContact O-CG 3.36Å; V384-L388 PolarHBondContact O-N 3.39Å; R385-L388 PolarHBondContact O-N 2.85Å; L388-N390 VanDerWaalsContact C-N 3.27Å; L388-N390 PolarHBondContact O-N 2.89Å; L388-A398 HydrophobicContact CD2-CB 3.57Å; L388-V402 HydrophobicContact CD1-CG2 4.02Å; L388-V402 HydrophobicContact CD2-CG2 4.25Å; L388-L420 HydrophobicContact CD1-CB 4.49Å; L388-L420 HydrophobicContact CD1-CD2 3.88Å; L388-E423 HydrophobicContact CD1-CB 4.02Å; L388-E423 WeakPolarHBondContact CD1-OE2 3.46Å; L388-L424 HydrophobicContact CD2-CD2 3.62Å; L388-K427 WeakPolarHBondContact O-CD 3.46Å; L388-K427 PolarHBondContact O-NZ 2.7Å
389Q94.4Very high95.1Very high145 Ų14550 Ų5068%0.67824%0.238SC*.THydrogen-bonded Turntrans-73.6-15.9176.7-67.2173.66.300113.6R385 R386 L387 P391R385-Q389 WeakPolarHBondContact O-CG 3.31Å; R385-Q389 PolarHBondContact O-N 3.16Å; R385-Q389 VanDerWaalsContact O-N 3.14Å; R386-Q389 PolarHBondContact O-N 2.85Å; L387-Q389 VanDerWaalsContact C-N 3.26Å; L387-Q389 PolarHBondContact O-N 3.44Å; Q389-P391 WeakPolarHBondContact O-CD 3.26Å
390N94.3Very high95.3Very high32 Ų3247.2 Ų47.217%0.17122%0.223CC..  trans-79.4119.1-177.9-176.2-18.4000111.4Q360 R386 L387 L388 R392 V393 K427Q360-N390 PolarHBondContact OE1-ND2 3.12Å; Q360-N390 PolarHBondContact OE1-OD1 3.19Å; R386-N390 PolarHBondContact O-N 2.89Å; L387-N390 WeakPolarHBondContact O-CB 3.3Å; L387-N390 PolarHBondContact O-N 2.71Å; L387-N390 VanDerWaalsContact O-N 3.11Å; L388-N390 VanDerWaalsContact C-N 3.27Å; L388-N390 PolarHBondContact O-N 2.89Å; N390-R392 PolarHBondContact O-N 2.68Å; N390-R392 PolarHBondContact OD1-N 3.28Å; N390-V393 HydrophobicContact CB-CG2 3.92Å; N390-V393 PolarHBondContact O-N 3.4Å; N390-K427 PolarHBondContact O-NZ 2.87Å
391P92Very high95.6Very high120 Ų12047.2 Ų47.278%0.77922%0.223SC*.THydrogen-bonded Turntrans-68.4-17.8-176.328.6-36.1000114.2Q389Q389-P391 WeakPolarHBondContact O-CD 3.26Å
392R92.6Very high95.8Very high167 Ų16745.6 Ų45.663%0.6322%0.216SC*.THydrogen-bonded Turntrans-81.2-18.5178.1-64.1-175.3178.8-178.81.7113.4Q360 N390 S394Q360-R392 HydrophobicContact CG-CB 4.44Å; Q360-R392 VanDerWaalsContact OE1-CB 3.3Å; N390-R392 PolarHBondContact O-N 2.68Å; N390-R392 PolarHBondContact OD1-N 3.28Å; R392-S394 PolarHBondContact O-N 3.15Å
393V94.4Very high95.9Very high3 Ų339.2 Ų39.22%0.01819%0.186CC..SBendtrans-73.1122176.2178.20000108.7V364 L387 N390 D397 A398 K427V364-V393 HydrophobicContact CG2-CG1 4.27Å; V364-V393 HydrophobicContact CG2-CG2 4.15Å; L387-V393 HydrophobicContact CB-CG2 4.46Å; L387-V393 HydrophobicContact CD2-CG2 4.33Å; N390-V393 HydrophobicContact CB-CG2 3.92Å; N390-V393 PolarHBondContact O-N 3.4Å; V393-D397 HydrophobicContact CG1-CB 3.8Å; V393-A398 HydrophobicContact CG1-CB 4.17Å; V393-K427 VanDerWaalsContact O-CE 3.29Å; V393-K427 WeakPolarHBondContact O-CE 3.37Å
394S94.3Very high95.9Very high37 Ų3738.1 Ų38.126%0.25918%0.18SC..  trans-65.2160.5-17882.10000112.1R392 L396 D397 A398R392-S394 PolarHBondContact O-N 3.15Å; S394-L396 PolarHBondContact O-N 2.86Å; S394-D397 WeakPolarHBondContact CB-OD2 3.36Å; S394-D397 PolarHBondContact O-N 3.38Å; S394-D397 PolarHBondContact OG-N 3.35Å; S394-D397 PolarHBondContact OG-OD2 3.46Å; S394-A398 WeakPolarHBondContact O-CB 3.44Å; S394-A398 PolarHBondContact O-N 3.04Å
395E94.9Very high95.9Very high81 Ų8138.1 Ų38.138%0.37918%0.18SC..Hα-helixtrans-55.5-42.2175.4-63.2-170.1164.200112.3V399 V429 Y433E395-V399 WeakPolarHBondContact O-CB 3.34Å; E395-V399 WeakPolarHBondContact O-CG2 3.39Å; E395-V399 PolarHBondContact O-N 3.4Å; E395-V429 HydrophobicContact CB-CG1 4.48Å; E395-V429 HydrophobicContact CB-CG2 4.31Å; E395-V429 HydrophobicContact CG-CG2 4.3Å; E395-Y433 HydrophobicContact CB-CD2 4.08Å; E395-Y433 HydrophobicContact CB-CE2 4.21Å; E395-Y433 WeakPolarHBondContact OE2-CD2 3.25Å; E395-Y433 WeakPolarHBondContact OE2-CE2 3.32Å
396L94.9Very high95.9Very high29 Ų2935 Ų3515%0.15217%0.169CC..Hα-helixtrans-67.1-44.1-178.7-179.462.5000111.3S394 V399 R400 Y433 T554 L558S394-L396 PolarHBondContact O-N 2.86Å; L396-V399 PolarHBondContact O-N 3.11Å; L396-R400 VanDerWaalsContact O-CB 3.26Å; L396-R400 WeakPolarHBondContact O-CB 3.13Å; L396-R400 PolarHBondContact O-N 2.88Å; L396-Y433 HydrophobicContact CD1-CE1 4.18Å; L396-T554 HydrophobicContact CD1-CG2 4.38Å; L396-L558 HydrophobicContact CD1-CD1 3.81Å
397D96.8Very high95.7Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-65.1-42.8179.1-63.3-44.1000111R359 V364 V393 S394 V399 R400 L401R359-D397 IonicContact CZ-OD1 3.09Å; R359-D397 IonicContact CZ-OD2 2.7Å; R359-D397 IonicContact NE-OD2 3.38Å; R359-D397 PolarHBondContact NE-OD2 2.96Å; R359-D397 IonicContact NH2-OD1 3.23Å; R359-D397 PolarHBondContact NH2-OD1 3.17Å; R359-D397 IonicContact NH2-OD2 3.43Å; R359-D397 PolarHBondContact NH2-OD2 3.42Å; V364-D397 HydrophobicContact CG1-CB 4.19Å; V393-D397 HydrophobicContact CG1-CB 3.8Å; S394-D397 WeakPolarHBondContact CB-OD2 3.36Å; S394-D397 PolarHBondContact O-N 3.38Å; S394-D397 PolarHBondContact OG-N 3.35Å; S394-D397 PolarHBondContact OG-OD2 3.46Å; D397-V399 PolarHBondContact O-N 3.14Å; D397-R400 PolarHBondContact O-N 3.39Å; D397-R400 IonicContact OD1-CZ 3.15Å; D397-R400 IonicContact OD1-NH1 3.14Å; D397-R400 PolarHBondContact OD1-NH1 3.31Å; D397-R400 IonicContact OD1-NH2 3.2Å; D397-L401 WeakPolarHBondContact O-CG 3.32Å; D397-L401 PolarHBondContact O-N 2.98Å; D397-L401 VanDerWaalsContact O-N 3.09Å
398A97.1Very high95.4Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-59.4-46.9175.300000112L388 V393 S394 L401 V402 L424 K427L388-A398 HydrophobicContact CD2-CB 3.57Å; V393-A398 HydrophobicContact CG1-CB 4.17Å; S394-A398 WeakPolarHBondContact O-CB 3.44Å; S394-A398 PolarHBondContact O-N 3.04Å; A398-L401 PolarHBondContact O-N 3.39Å; A398-V402 PolarHBondContact O-N 3.45Å; A398-L424 HydrophobicContact CB-CD2 3.93Å; A398-K427 HydrophobicContact CB-CD 4.18Å
399V97.2Very high95.2Very high0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-67.4-39.4-179.8167.90000111.5E395 L396 D397 L401 V402 M403 L424 V429 Y433 V437E395-V399 WeakPolarHBondContact O-CB 3.34Å; E395-V399 WeakPolarHBondContact O-CG2 3.39Å; E395-V399 PolarHBondContact O-N 3.4Å; L396-V399 PolarHBondContact O-N 3.11Å; D397-V399 PolarHBondContact O-N 3.14Å; V399-L401 PolarHBondContact O-N 2.89Å; V399-V402 PolarHBondContact O-N 3.5Å; V399-V402 VanDerWaalsContact O-N 3.17Å; V399-M403 HydrophobicContact CG1-CE 3.37Å; V399-M403 HydrophobicContact CG1-CG 4.37Å; V399-M403 HydrophobicContact CG1-SD 3.96Å; V399-M403 WeakPolarHBondContact O-CG 3.35Å; V399-M403 PolarHBondContact O-N 2.9Å; V399-L424 HydrophobicContact CG2-CD1 4.18Å; V399-L424 HydrophobicContact CG2-CD2 4.06Å; V399-V429 HydrophobicContact CG2-CG1 3.37Å; V399-V429 HydrophobicContact CG2-CG2 4.48Å; V399-Y433 WeakPolarHBondContact CG1-O 3.46Å; V399-V437 HydrophobicContact CG1-CG2 4.08Å
400R97.3Very high94.9Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-60.1-43.7175.9-179.6-160.2-78.5142.13.4112.1L240 N242 E252 E368 L396 D397 V402 M403 L404 T554L240-R400 HydrophobicContact CB-CG 4.21Å; L240-R400 WeakPolarHBondContact O-CD 3.48Å; L240-R400 WeakPolarHBondContact O-CG 3.44Å; L240-R400 PolarHBondContact O-NE 3.18Å; N242-R400 PolarHBondContact ND2-NH1 3.38Å; N242-R400 VanDerWaalsContact ND2-NH1 3.17Å; E252-R400 IonicContact OE1-CZ 3.75Å; E252-R400 IonicContact OE1-NH2 3.84Å; E252-R400 PolarHBondContact OE1-NH2 3.45Å; E368-R400 WeakPolarHBondContact OE1-CD 3.23Å; E368-R400 IonicContact OE1-CZ 2.91Å; E368-R400 IonicContact OE1-NE 3.71Å; E368-R400 IonicContact OE1-NH1 3.42Å; E368-R400 PolarHBondContact OE1-NH1 3.36Å; L396-R400 VanDerWaalsContact O-CB 3.26Å; L396-R400 WeakPolarHBondContact O-CB 3.13Å; L396-R400 PolarHBondContact O-N 2.88Å; D397-R400 PolarHBondContact O-N 3.39Å; D397-R400 IonicContact OD1-CZ 3.15Å; D397-R400 IonicContact OD1-NH1 3.14Å; D397-R400 PolarHBondContact OD1-NH1 3.31Å; D397-R400 IonicContact OD1-NH2 3.2Å; R400-V402 VanDerWaalsContact C-N 3.28Å; R400-V402 PolarHBondContact O-N 3.38Å; R400-M403 WeakPolarHBondContact O-CB 3.45Å; R400-M403 PolarHBondContact O-N 3.35Å; R400-L404 HydrophobicContact CG-CD1 4.33Å; R400-L404 WeakPolarHBondContact O-CG 3.32Å; R400-L404 PolarHBondContact O-N 3.37Å; R400-T554 PolarHBondContact NE-OG1 2.97Å; R400-T554 PolarHBondContact NH2-OG1 3.28Å
401L98.1Very high94.5Very high0 Ų032.6 Ų32.60%015%0.153CC..Hα-helixtrans-57.8-42.6174.3-70.4173000111.5V364 V367 E368 L371 V384 L387 D397 A398 V399 L404 Y405V364-L401 HydrophobicContact CG1-CD1 4.42Å; V364-L401 HydrophobicContact CG1-CD2 4.3Å; V364-L401 HydrophobicContact CG1-CG 4.36Å; V367-L401 HydrophobicContact CB-CD2 4.07Å; V367-L401 HydrophobicContact CG1-CD2 3.95Å; E368-L401 HydrophobicContact CG-CD2 3.72Å; L371-L401 HydrophobicContact CD1-CD2 4.26Å; V384-L401 HydrophobicContact CG1-CB 4.48Å; L387-L401 HydrophobicContact CB-CD1 3.83Å; L387-L401 HydrophobicContact CD1-CD1 3.63Å; L387-L401 HydrophobicContact CG-CD1 4.41Å; D397-L401 WeakPolarHBondContact O-CG 3.32Å; D397-L401 PolarHBondContact O-N 2.98Å; D397-L401 VanDerWaalsContact O-N 3.09Å; A398-L401 PolarHBondContact O-N 3.39Å; V399-L401 PolarHBondContact O-N 2.89Å; L401-L404 PolarHBondContact O-N 3.07Å; L401-Y405 WeakPolarHBondContact O-CB 3.37Å; L401-Y405 PolarHBondContact O-N 2.81Å
402V98.1Very high94.3Very high0 Ų030 Ų300%013%0.13CC..Hα-helixtrans-69.8-34.5177.8-1800000111.9V384 L388 A398 V399 R400 Y405 A406 L417 L420 M421 L424 V437V384-V402 HydrophobicContact CG1-CG2 4.44Å; L388-V402 HydrophobicContact CD1-CG2 4.02Å; L388-V402 HydrophobicContact CD2-CG2 4.25Å; A398-V402 PolarHBondContact O-N 3.45Å; V399-V402 PolarHBondContact O-N 3.5Å; V399-V402 VanDerWaalsContact O-N 3.17Å; R400-V402 VanDerWaalsContact C-N 3.28Å; R400-V402 PolarHBondContact O-N 3.38Å; V402-Y405 PolarHBondContact O-N 2.81Å; V402-A406 VanDerWaalsContact O-CB 3.29Å; V402-A406 WeakPolarHBondContact O-CB 3.41Å; V402-A406 PolarHBondContact O-N 2.9Å; V402-L417 HydrophobicContact CG1-CD1 3.74Å; V402-L420 HydrophobicContact CG1-CB 4.12Å; V402-L420 HydrophobicContact CG2-CB 4.11Å; V402-M421 HydrophobicContact CG1-SD 4.19Å; V402-L424 HydrophobicContact CB-CD1 3.99Å; V402-L424 HydrophobicContact CG1-CD1 4.05Å; V402-L424 HydrophobicContact CG2-CD1 3.83Å; V402-L424 HydrophobicContact CG2-CD2 4.16Å; V402-L424 HydrophobicContact CG2-CG 4.05Å; V402-V437 HydrophobicContact CB-CG2 4.49Å; V402-V437 HydrophobicContact CG1-CG1 4.02Å; V402-V437 HydrophobicContact CG1-CG2 4.16Å
403M97.9Very high94.1Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-62.7-47.8172.5-71.3162.1170.600112L240 V399 R400 Y405 A406 L407 M436 V437 V440 L558L240-M403 HydrophobicContact CD1-CB 4.03Å; L240-M403 HydrophobicContact CD2-SD 4.09Å; V399-M403 HydrophobicContact CG1-CE 3.37Å; V399-M403 HydrophobicContact CG1-CG 4.37Å; V399-M403 HydrophobicContact CG1-SD 3.96Å; V399-M403 WeakPolarHBondContact O-CG 3.35Å; V399-M403 PolarHBondContact O-N 2.9Å; R400-M403 WeakPolarHBondContact O-CB 3.45Å; R400-M403 PolarHBondContact O-N 3.35Å; M403-Y405 VanDerWaalsContact C-N 3.34Å; M403-A406 PolarHBondContact O-N 3.39Å; M403-L407 WeakPolarHBondContact O-CG 3.49Å; M403-L407 PolarHBondContact O-N 3.2Å; M403-M436 VanDerWaalsContact CE-C 3.48Å; M403-M436 HydrophobicContact CE-CB 3.2Å; M403-M436 HydrophobicContact CE-CG 4.41Å; M403-V437 HydrophobicContact CG-CB 4.46Å; M403-V437 HydrophobicContact CG-CG2 4.11Å; M403-V440 HydrophobicContact CB-CG1 4.46Å; M403-V440 HydrophobicContact CE-CG2 4.06Å; M403-V440 HydrophobicContact CG-CB 4.43Å; M403-V440 HydrophobicContact CG-CG2 4.29Å; M403-V440 HydrophobicContact SD-CG2 4.11Å; M403-L558 HydrophobicContact CE-CD1 4.03Å; M403-L558 HydrophobicContact CE-CD2 3.54Å; M403-L558 HydrophobicContact CE-CG 4.45Å; M403-L558 HydrophobicContact SD-CD1 4.28Å; M403-L558 HydrophobicContact SD-CD2 3.72Å
404L97.3Very high93.9Very high4 Ų431.2 Ų31.22%0.02116%0.164CC..Hα-helixtrans-61.4-44.6177-71168.8000110.7I237 L240 L241 E368 L371 R400 L401 A406 L407 R408I237-L404 HydrophobicContact CB-CD2 4.49Å; I237-L404 HydrophobicContact CG1-CD2 4.48Å; I237-L404 HydrophobicContact CG2-CD2 3.94Å; L240-L404 HydrophobicContact CB-CD2 4.02Å; L240-L404 HydrophobicContact CB-CG 4.4Å; L240-L404 HydrophobicContact CD1-CD2 4.06Å; L240-L404 HydrophobicContact CD1-CG 4.38Å; L241-L404 HydrophobicContact CD2-CD1 3.86Å; L241-L404 HydrophobicContact CD2-CD2 4.06Å; E368-L404 HydrophobicContact CB-CD1 3.87Å; E368-L404 HydrophobicContact CG-CD1 3.67Å; L371-L404 HydrophobicContact CB-CB 4.17Å; L371-L404 HydrophobicContact CD1-CB 3.91Å; R400-L404 HydrophobicContact CG-CD1 4.33Å; R400-L404 WeakPolarHBondContact O-CG 3.32Å; R400-L404 PolarHBondContact O-N 3.37Å; L401-L404 PolarHBondContact O-N 3.07Å; L404-A406 VanDerWaalsContact C-N 3.34Å; L404-A406 PolarHBondContact O-N 3.14Å; L404-L407 PolarHBondContact O-N 3.21Å; L404-R408 VanDerWaalsContact O-CB 3.29Å; L404-R408 WeakPolarHBondContact O-CB 3.26Å; L404-R408 PolarHBondContact O-N 3.36Å
405Y96.9Very high93.7Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-56.2-47.6172.8-177.3-87.4000111.9L371 H377 Q381 L401 V402 M403 R408 Y409 I416 L417 L420L371-Y405 HydrophobicContact CD2-CD2 4.03Å; H377-Y405 PolarHBondContact NE2-OH 2.99Å; Q381-Y405 HydrophobicContact CG-CE2 3.69Å; Q381-Y405 PolarHBondContact NE2-OH 3.38Å; L401-Y405 WeakPolarHBondContact O-CB 3.37Å; L401-Y405 PolarHBondContact O-N 2.81Å; V402-Y405 PolarHBondContact O-N 2.81Å; M403-Y405 VanDerWaalsContact C-N 3.34Å; Y405-R408 PolarHBondContact O-N 3.45Å; Y405-Y409 AromaticContact CD2-CD2 3.52Å; Y405-Y409 HydrophobicContact CD2-CD2 3.52Å; Y405-Y409 AromaticContact CD2-CE2 3.97Å; Y405-Y409 HydrophobicContact CD2-CE2 3.97Å; Y405-Y409 HydrophobicContact CE1-CD2 4.49Å; Y405-Y409 AromaticContact CE2-CD2 3.38Å; Y405-Y409 HydrophobicContact CE2-CD2 3.38Å; Y405-Y409 AromaticContact CE2-CE2 3.89Å; Y405-Y409 HydrophobicContact CE2-CE2 3.89Å; Y405-Y409 HydrophobicContact CE2-CG 4.23Å; Y405-Y409 HydrophobicContact CG-CD2 4.11Å; Y405-Y409 AromaticContact CZ-CD2 3.89Å; Y405-Y409 WeakPolarHBondContact O-CB 3.48Å; Y405-Y409 PolarHBondContact O-N 2.79Å; Y405-I416 HydrophobicContact CE1-CG1 4.09Å; Y405-I416 HydrophobicContact CE2-CG1 4.43Å; Y405-I416 WeakPolarHBondContact OH-CG1 3.37Å; Y405-I416 PolarHBondContact OH-N 2.88Å; Y405-L417 HydrophobicContact CE1-CB 4.43Å; Y405-L420 HydrophobicContact CD1-CD1 3.55Å; Y405-L420 HydrophobicContact CD2-CD1 4.24Å; Y405-L420 HydrophobicContact CE1-CD1 3.88Å; Y405-L420 HydrophobicContact CG-CD1 3.77Å
406A95.3Very high93.7Very high1 Ų128.8 Ų28.81%0.00815%0.153CC..Hα-helixtrans-63.5-42.9-179.500000112.3V402 M403 L404 E410 L417 V437 V441V402-A406 VanDerWaalsContact O-CB 3.29Å; V402-A406 WeakPolarHBondContact O-CB 3.41Å; V402-A406 PolarHBondContact O-N 2.9Å; M403-A406 PolarHBondContact O-N 3.39Å; L404-A406 VanDerWaalsContact C-N 3.34Å; L404-A406 PolarHBondContact O-N 3.14Å; A406-E410 VanDerWaalsContact O-CA 3.3Å; A406-E410 WeakPolarHBondContact O-CA 3Å; A406-E410 WeakPolarHBondContact O-CB 3.34Å; A406-E410 PolarHBondContact O-N 3.36Å; A406-L417 HydrophobicContact CB-CD1 3.87Å; A406-L417 HydrophobicContact CB-CD2 3.93Å; A406-V437 HydrophobicContact CB-CG1 4.09Å; A406-V441 HydrophobicContact CB-CG2 3.67Å
407L93.5Very high93.7Very high0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-66.8-35.6177.5-75.5172.3000113A236 I237 L240 M403 L404 V440 R449A236-L407 HydrophobicContact CB-CD1 4.02Å; A236-L407 HydrophobicContact CB-CD2 4.47Å; I237-L407 HydrophobicContact CG1-CD1 4.23Å; L240-L407 HydrophobicContact CD1-CD1 3.86Å; M403-L407 WeakPolarHBondContact O-CG 3.49Å; M403-L407 PolarHBondContact O-N 3.2Å; L404-L407 PolarHBondContact O-N 3.21Å; L407-V440 HydrophobicContact CD1-CG1 3.58Å; L407-V440 HydrophobicContact CD2-CG1 4.01Å; L407-V440 HydrophobicContact CG-CG1 3.87Å; L407-R449 PolarHBondContact O-NH2 2.91Å; L407-R449 VanDerWaalsContact O-NH2 3.12Å
408R91.1Very high93.6Very high26 Ų2634 Ų3410%0.09819%0.187CC..Hα-helixtrans-75.6-50179.8178.259.3173.2144.8-7.7111.8L371 Q374 N375 L404 Y405L371-R408 WeakPolarHBondContact O-CG 3.33Å; Q374-R408 PolarHBondContact O-NE 3.08Å; Q374-R408 PolarHBondContact O-NH2 3.16Å; N375-R408 PolarHBondContact OD1-NH2 3.13Å; N375-R408 VanDerWaalsContact OD1-NH2 3.15Å; L404-R408 VanDerWaalsContact O-CB 3.29Å; L404-R408 WeakPolarHBondContact O-CB 3.26Å; L404-R408 PolarHBondContact O-N 3.36Å; Y405-R408 PolarHBondContact O-N 3.45Å
409Y91.2Very high93.6Very high8 Ų835.7 Ų35.73%0.03120%0.199CC..Hα-helixtrans-107.623-169.4-60-64.4000113.9L371 D376 H377 A380 Y405 R411 H412L371-Y409 HydrophobicContact CD2-CE2 3.99Å; D376-Y409 PolarHBondContact O-OH 2.9Å; H377-Y409 WeakPolarHBondContact CA-OH 2.83Å; H377-Y409 HydrophobicContact CB-CD1 4.48Å; H377-Y409 HydrophobicContact CB-CE1 3.84Å; H377-Y409 AromaticContact CD2-CD1 3.55Å; H377-Y409 AromaticContact CD2-CD2 3.96Å; H377-Y409 AromaticContact CD2-CE1 3.68Å; H377-Y409 AromaticContact CD2-CG 3.69Å; H377-Y409 AromaticContact CD2-CZ 3.94Å; A380-Y409 HydrophobicContact CB-CE2 4.11Å; Y405-Y409 AromaticContact CD2-CD2 3.52Å; Y405-Y409 HydrophobicContact CD2-CD2 3.52Å; Y405-Y409 AromaticContact CD2-CE2 3.97Å; Y405-Y409 HydrophobicContact CD2-CE2 3.97Å; Y405-Y409 HydrophobicContact CE1-CD2 4.49Å; Y405-Y409 AromaticContact CE2-CD2 3.38Å; Y405-Y409 HydrophobicContact CE2-CD2 3.38Å; Y405-Y409 AromaticContact CE2-CE2 3.89Å; Y405-Y409 HydrophobicContact CE2-CE2 3.89Å; Y405-Y409 HydrophobicContact CE2-CG 4.23Å; Y405-Y409 HydrophobicContact CG-CD2 4.11Å; Y405-Y409 AromaticContact CZ-CD2 3.89Å; Y405-Y409 WeakPolarHBondContact O-CB 3.48Å; Y405-Y409 PolarHBondContact O-N 2.79Å; Y409-R411 PolarHBondContact O-N 2.99Å; Y409-R411 VanDerWaalsContact O-N 3.07Å; Y409-H412 HydrophobicContact CD1-CB 4.22Å; Y409-H412 WeakPolarHBondContact O-CB 3.27Å; Y409-H412 PolarHBondContact O-N 2.92Å
410E87.3Confident93.6Very high49 Ų4935.7 Ų35.723%0.22920%0.199CC..THydrogen-bonded Turntrans-47.1-41.1-178.3-171-168.813600113.9A406 V441 G445 K446A406-E410 VanDerWaalsContact O-CA 3.3Å; A406-E410 WeakPolarHBondContact O-CA 3Å; A406-E410 WeakPolarHBondContact O-CB 3.34Å; A406-E410 PolarHBondContact O-N 3.36Å; E410-V441 HydrophobicContact CG-CG1 4.23Å; E410-G445 WeakPolarHBondContact OE2-CA 3.32Å; E410-K446 WeakPolarHBondContact OE2-CB 3.12Å; E410-K446 PolarHBondContact OE2-N 3.36Å
411R85.5Confident93.6Very high160 Ų16038.2 Ų38.260%0.60421%0.211SC*.THydrogen-bonded Turntrans-110.614.5-177.9-59.9-171.3-174.4-179.63.3113.6Y409 K446Y409-R411 PolarHBondContact O-N 2.99Å; Y409-R411 VanDerWaalsContact O-N 3.07Å; R411-K446 HydrophobicContact CG-CD 4.34Å
412H88.8Confident93.5Very high66 Ų6643.1 Ų43.131%0.30623%0.234SC..  trans-73.1130179.5-165.3-84.2000109.9H377 Y409 S414 S415H377-H412 AromaticContact CD2-CE1 3.89Å; H377-H412 AromaticContact CD2-CG 3.99Å; H377-H412 AromaticContact CD2-ND1 3.84Å; H377-H412 AromaticContact CE1-CE1 3.3Å; H377-H412 PolarHBondContact CE1-CE1 2.76Å; H377-H412 AromaticContact CE1-ND1 3.32Å; H377-H412 PolarHBondContact CE1-ND1 3.4Å; H377-H412 VanDerWaalsContact CE1-ND1 3.32Å; H377-H412 AromaticContact CG-CE1 3.59Å; H377-H412 AromaticContact CG-NE2 3.73Å; H377-H412 AromaticContact ND1-CE1 3.23Å; H377-H412 PolarHBondContact ND1-CE1 2.86Å; H377-H412 AromaticContact ND1-ND1 3.73Å; H377-H412 AromaticContact ND1-NE2 3.81Å; H377-H412 AromaticContact NE2-CE1 3.68Å; H377-H412 AromaticContact NE2-CG 3.84Å; H377-H412 AromaticContact NE2-ND1 3.36Å; H377-H412 PolarHBondContact NE2-ND1 2.85Å; Y409-H412 HydrophobicContact CD1-CB 4.22Å; Y409-H412 WeakPolarHBondContact O-CB 3.27Å; Y409-H412 PolarHBondContact O-N 2.92Å; H412-S414 VanDerWaalsContact C-N 3.25Å; H412-S414 PolarHBondContact ND1-N 3.38Å; H412-S414 PolarHBondContact O-N 3.31Å; H412-S415 VanDerWaalsContact O-CB 3.27Å; H412-S415 WeakPolarHBondContact O-CB 3.48Å; H412-S415 PolarHBondContact O-N 3.19Å; H412-S415 VanDerWaalsContact O-N 3.07Å
413S89Confident93.4Very high120 Ų12043.9 Ų43.984%0.83924%0.238SC*.THydrogen-bonded Turntrans-58.2-37.9-176.251.50000112.8
414S89.6Confident93.4Very high74 Ų7443.9 Ų43.952%0.51724%0.238SC..THydrogen-bonded Turntrans-9727.7178.9-46.90000113.1H377 Q381 H412 I416H377-S414 PolarHBondContact CE1-O 2.99Å; H377-S414 VanDerWaalsContact CE1-O 3.23Å; Q381-S414 PolarHBondContact NE2-O 3.22Å; H412-S414 VanDerWaalsContact C-N 3.25Å; H412-S414 PolarHBondContact ND1-N 3.38Å; H412-S414 PolarHBondContact O-N 3.31Å; S414-I416 PolarHBondContact O-N 2.95Å
415S90.4Very high93.3Very high38 Ų3846.6 Ų46.627%0.26626%0.257SS..  trans-61130.3179.8-176.50000111.4H412H412-S415 VanDerWaalsContact O-CB 3.27Å; H412-S415 WeakPolarHBondContact O-CB 3.48Å; H412-S415 PolarHBondContact O-N 3.19Å; H412-S415 VanDerWaalsContact O-N 3.07Å
416I94.3Very high93.2Very high29 Ų2954 Ų5415%0.14929%0.285CS..  trans-99.516.1179.161.9165.5000112.6Q381 R385 Y405 S414 P418 S419 L420Q381-I416 HydrophobicContact CB-CD1 3.77Å; Q381-I416 HydrophobicContact CG-CD1 3.56Å; Q381-I416 HydrophobicContact CG-CG1 3.83Å; R385-I416 HydrophobicContact CG-CD1 4.49Å; Y405-I416 HydrophobicContact CE1-CG1 4.09Å; Y405-I416 HydrophobicContact CE2-CG1 4.43Å; Y405-I416 WeakPolarHBondContact OH-CG1 3.37Å; Y405-I416 PolarHBondContact OH-N 2.88Å; S414-I416 PolarHBondContact O-N 2.95Å; I416-P418 VanDerWaalsContact C-CD 3.48Å; I416-P418 VanDerWaalsContact C-N 3.34Å; I416-S419 WeakPolarHBondContact O-CA 3.21Å; I416-S419 WeakPolarHBondContact O-CB 3.36Å; I416-S419 PolarHBondContact O-N 3.14Å; I416-L420 HydrophobicContact CD1-CD1 4.11Å; I416-L420 HydrophobicContact CD1-CD2 3.74Å; I416-L420 HydrophobicContact CD1-CG 3.85Å; I416-L420 HydrophobicContact CG1-CD1 3.97Å; I416-L420 HydrophobicContact CG1-CD2 4.37Å; I416-L420 HydrophobicContact CG1-CG 3.9Å; I416-L420 PolarHBondContact O-N 2.88Å
417L95.3Very high93.2Very high36 Ų3657 Ų5719%0.18830%0.297CS..Hα-helixtrans-50.8-45-175.1-179.662000113.4V402 Y405 A406 S419 L420 M421 V437V402-L417 HydrophobicContact CG1-CD1 3.74Å; Y405-L417 HydrophobicContact CE1-CB 4.43Å; A406-L417 HydrophobicContact CB-CD1 3.87Å; A406-L417 HydrophobicContact CB-CD2 3.93Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.35Å; L417-L420 PolarHBondContact O-N 2.97Å; L417-M421 HydrophobicContact CD1-CG 4.27Å; L417-M421 HydrophobicContact CG-CG 4.47Å; L417-M421 VanDerWaalsContact O-CG 3.3Å; L417-M421 WeakPolarHBondContact O-CG 3.47Å; L417-M421 PolarHBondContact O-N 2.77Å; L417-V437 HydrophobicContact CD1-CG1 4.1Å
418P95.4Very high93.2Very high103 Ų10359.3 Ų59.367%0.66932%0.322SS*.Hα-helixtrans-58.9-38.4176.3-24.635.3000113.4I416 M421 E422I416-P418 VanDerWaalsContact C-CD 3.48Å; I416-P418 VanDerWaalsContact C-N 3.34Å; P418-M421 PolarHBondContact O-N 3.46Å; P418-E422 PolarHBondContact O-N 3.46Å; P418-E422 VanDerWaalsContact O-N 3.11Å
419S96.5Very high93.4Very high35 Ų3558.2 Ų58.225%0.24532%0.318CS..Hα-helixtrans-69.4-39.9177.7-177.40000111.8R385 I416 L417 M421 E422 E423R385-S419 PolarHBondContact NH1-OG 2.91Å; R385-S419 PolarHBondContact NH2-OG 2.95Å; R385-S419 VanDerWaalsContact NH2-OG 3.09Å; I416-S419 WeakPolarHBondContact O-CA 3.21Å; I416-S419 WeakPolarHBondContact O-CB 3.36Å; I416-S419 PolarHBondContact O-N 3.14Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.35Å; S419-M421 VanDerWaalsContact C-N 3.32Å; S419-M421 PolarHBondContact O-N 2.87Å; S419-E422 WeakPolarHBondContact O-CB 3.47Å; S419-E422 PolarHBondContact O-N 2.88Å; S419-E423 PolarHBondContact O-N 3.46Å
420L97.1Very high93.6Very high0 Ų060 Ų600%033%0.332CS..Hα-helixtrans-64.5-37.9174.4-63.6178.1000111.7V384 R385 L388 V402 Y405 I416 L417 E422 E423 L424V384-L420 HydrophobicContact CG1-CD1 4.08Å; V384-L420 HydrophobicContact CG1-CD2 3.91Å; R385-L420 HydrophobicContact CG-CD2 3.95Å; L388-L420 HydrophobicContact CD1-CB 4.49Å; L388-L420 HydrophobicContact CD1-CD2 3.88Å; V402-L420 HydrophobicContact CG1-CB 4.12Å; V402-L420 HydrophobicContact CG2-CB 4.11Å; Y405-L420 HydrophobicContact CD1-CD1 3.55Å; Y405-L420 HydrophobicContact CD2-CD1 4.24Å; Y405-L420 HydrophobicContact CE1-CD1 3.88Å; Y405-L420 HydrophobicContact CG-CD1 3.77Å; I416-L420 HydrophobicContact CD1-CD1 4.11Å; I416-L420 HydrophobicContact CD1-CD2 3.74Å; I416-L420 HydrophobicContact CD1-CG 3.85Å; I416-L420 HydrophobicContact CG1-CD1 3.97Å; I416-L420 HydrophobicContact CG1-CD2 4.37Å; I416-L420 HydrophobicContact CG1-CG 3.9Å; I416-L420 PolarHBondContact O-N 2.88Å; L417-L420 PolarHBondContact O-N 2.97Å; L420-E422 VanDerWaalsContact C-N 3.31Å; L420-E422 PolarHBondContact O-N 3.13Å; L420-E423 PolarHBondContact O-N 3.01Å; L420-L424 WeakPolarHBondContact O-CG 3.24Å; L420-L424 PolarHBondContact O-N 3.44Å
421M97.3Very high93.8Very high53 Ų5362 Ų6226%0.26134%0.341SS..Hα-helixtrans-62.8-37.9174.7-70.5-59.5-66.500112.2V402 L417 P418 S419 L424 S425 R434 V437V402-M421 HydrophobicContact CG1-SD 4.19Å; L417-M421 HydrophobicContact CD1-CG 4.27Å; L417-M421 HydrophobicContact CG-CG 4.47Å; L417-M421 VanDerWaalsContact O-CG 3.3Å; L417-M421 WeakPolarHBondContact O-CG 3.47Å; L417-M421 PolarHBondContact O-N 2.77Å; P418-M421 PolarHBondContact O-N 3.46Å; S419-M421 VanDerWaalsContact C-N 3.32Å; S419-M421 PolarHBondContact O-N 2.87Å; M421-L424 HydrophobicContact SD-CD1 4.09Å; M421-S425 PolarHBondContact O-N 3.45Å; M421-S425 VanDerWaalsContact O-N 3.12Å; M421-R434 HydrophobicContact CE-CB 3.94Å; M421-R434 WeakPolarHBondContact CE-O 3.45Å; M421-V437 HydrophobicContact CE-CB 4.39Å; M421-V437 HydrophobicContact CE-CG2 4.46Å; M421-V437 HydrophobicContact SD-CB 3.91Å; M421-V437 HydrophobicContact SD-CG1 3.92Å; M421-V437 HydrophobicContact SD-CG2 3.84Å
422E96.2Very high94.1Very high104 Ų10458.7 Ų58.749%0.48633%0.328SS..Hα-helixtrans-67-41.2173.7-159.8-157.5131.500111.7P418 S419 L420 S425 R426P418-E422 PolarHBondContact O-N 3.46Å; P418-E422 VanDerWaalsContact O-N 3.11Å; S419-E422 WeakPolarHBondContact O-CB 3.47Å; S419-E422 PolarHBondContact O-N 2.88Å; L420-E422 VanDerWaalsContact C-N 3.31Å; L420-E422 PolarHBondContact O-N 3.13Å; E422-S425 WeakPolarHBondContact O-CA 3.19Å; E422-S425 VanDerWaalsContact O-CB 3.32Å; E422-S425 WeakPolarHBondContact O-CB 3.3Å; E422-S425 PolarHBondContact O-N 3.36Å; E422-S425 VanDerWaalsContact O-N 3.13Å; E422-R426 VanDerWaalsContact CD-NH2 3.25Å; E422-R426 WeakPolarHBondContact O-CG 3.09Å; E422-R426 PolarHBondContact O-N 3.38Å; E422-R426 IonicContact OE1-CZ 3.26Å; E422-R426 VanDerWaalsContact OE1-CZ 3.26Å; E422-R426 IonicContact OE1-NE 3.23Å; E422-R426 PolarHBondContact OE1-NE 3.21Å; E422-R426 IonicContact OE1-NH2 2.78Å; E422-R426 PolarHBondContact OE1-NH2 3.42Å; E422-R426 IonicContact OE2-NH2 2.72Å
423E96.2Very high94.3Very high16 Ų1658.2 Ų58.28%0.07532%0.324CS..Hα-helixtrans-62.2-41.7174.8-74.5-175-173.200112.5R385 L388 S419 L420 S425 R426 K427R385-E423 IonicContact CZ-OE1 3.15Å; R385-E423 IonicContact NH1-OE1 2.79Å; R385-E423 PolarHBondContact NH1-OE1 3.08Å; L388-E423 HydrophobicContact CD1-CB 4.02Å; L388-E423 WeakPolarHBondContact CD1-OE2 3.46Å; S419-E423 PolarHBondContact O-N 3.46Å; L420-E423 PolarHBondContact O-N 3.01Å; E423-S425 VanDerWaalsContact C-N 3.27Å; E423-S425 PolarHBondContact O-N 3.06Å; E423-R426 PolarHBondContact O-N 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.36Å; E423-K427 PolarHBondContact O-N 3.3Å
424L96.8Very high94.6Very high0 Ų055 Ų550%029%0.294CS..Hα-helixtrans-58.2-42.1171.8-70.7176.8000111.2L388 A398 V399 V402 L420 M421 K427 G428 V429 R434 V437L388-L424 HydrophobicContact CD2-CD2 3.62Å; A398-L424 HydrophobicContact CB-CD2 3.93Å; V399-L424 HydrophobicContact CG2-CD1 4.18Å; V399-L424 HydrophobicContact CG2-CD2 4.06Å; V402-L424 HydrophobicContact CB-CD1 3.99Å; V402-L424 HydrophobicContact CG1-CD1 4.05Å; V402-L424 HydrophobicContact CG2-CD1 3.83Å; V402-L424 HydrophobicContact CG2-CD2 4.16Å; V402-L424 HydrophobicContact CG2-CG 4.05Å; L420-L424 WeakPolarHBondContact O-CG 3.24Å; L420-L424 PolarHBondContact O-N 3.44Å; M421-L424 HydrophobicContact SD-CD1 4.09Å; L424-K427 PolarHBondContact O-N 2.93Å; L424-G428 PolarHBondContact O-N 3.39Å; L424-V429 HydrophobicContact CB-CB 4.27Å; L424-V429 HydrophobicContact CB-CG2 4.3Å; L424-V429 HydrophobicContact CD2-CG2 3.99Å; L424-V429 VanDerWaalsContact O-CB 3.31Å; L424-V429 WeakPolarHBondContact O-CB 3.47Å; L424-V429 WeakPolarHBondContact O-CG2 3.33Å; L424-V429 PolarHBondContact O-N 3.13Å; L424-R434 HydrophobicContact CB-CG 4.08Å; L424-R434 HydrophobicContact CD1-CG 4.47Å; L424-V437 HydrophobicContact CD1-CG2 4.38Å
425S96.2Very high94.8Very high60 Ų6055.7 Ų55.742%0.4229%0.285SS..Hα-helixtrans-63.7-43.8176.6-165.60000111.6M421 E422 E423 K427 G428M421-S425 PolarHBondContact O-N 3.45Å; M421-S425 VanDerWaalsContact O-N 3.12Å; E422-S425 WeakPolarHBondContact O-CA 3.19Å; E422-S425 VanDerWaalsContact O-CB 3.32Å; E422-S425 WeakPolarHBondContact O-CB 3.3Å; E422-S425 PolarHBondContact O-N 3.36Å; E422-S425 VanDerWaalsContact O-N 3.13Å; E423-S425 VanDerWaalsContact C-N 3.27Å; E423-S425 PolarHBondContact O-N 3.06Å; S425-K427 VanDerWaalsContact C-N 3.32Å; S425-K427 PolarHBondContact O-N 3.38Å; S425-G428 PolarHBondContact O-N 2.74Å
426R94.9Very high95Very high156 Ų15654.1 Ų54.159%0.58927%0.274SS*.Hα-helixtrans-65.3-33.6177.2-73.6-171.5-110132.7-4.6112.7E422 E423 G428E422-R426 VanDerWaalsContact CD-NH2 3.25Å; E422-R426 WeakPolarHBondContact O-CG 3.09Å; E422-R426 PolarHBondContact O-N 3.38Å; E422-R426 IonicContact OE1-CZ 3.26Å; E422-R426 VanDerWaalsContact OE1-CZ 3.26Å; E422-R426 IonicContact OE1-NE 3.23Å; E422-R426 PolarHBondContact OE1-NE 3.21Å; E422-R426 IonicContact OE1-NH2 2.78Å; E422-R426 PolarHBondContact OE1-NH2 3.42Å; E422-R426 IonicContact OE2-NH2 2.72Å; E423-R426 PolarHBondContact O-N 3.32Å; R426-G428 PolarHBondContact O-N 3.15Å
427K93.8Very high95Very high63 Ų6352.9 Ų52.927%0.27427%0.267SS..THydrogen-bonded Turntrans-67.4-14.9172.9-168-175.8-176.370.80112.7L388 N390 V393 A398 E423 L424 S425 V429L388-K427 WeakPolarHBondContact O-CD 3.46Å; L388-K427 PolarHBondContact O-NZ 2.7Å; N390-K427 PolarHBondContact O-NZ 2.87Å; V393-K427 VanDerWaalsContact O-CE 3.29Å; V393-K427 WeakPolarHBondContact O-CE 3.37Å; A398-K427 HydrophobicContact CB-CD 4.18Å; E423-K427 WeakPolarHBondContact O-CB 3.36Å; E423-K427 PolarHBondContact O-N 3.3Å; L424-K427 PolarHBondContact O-N 2.93Å; S425-K427 VanDerWaalsContact C-N 3.32Å; S425-K427 PolarHBondContact O-N 3.38Å; K427-V429 HydrophobicContact CB-CG2 4.32Å; K427-V429 HydrophobicContact CD-CG2 4.21Å; K427-V429 HydrophobicContact CG-CG2 4.49Å
428G94.6Very high94.9Very high50 Ų5055.7 Ų55.752%0.51528%0.28SS..THydrogen-bonded Turntrans8913.6-178.700000114.2L424 S425 R426 S430L424-G428 PolarHBondContact O-N 3.39Å; S425-G428 PolarHBondContact O-N 2.74Å; R426-G428 PolarHBondContact O-N 3.15Å; G428-S430 PolarHBondContact O-N 3.08Å
429V95.6Very high94.9Very high3 Ų350.8 Ų50.82%0.01825%0.248CC..  trans-60.3131.2179.3174.90000110.3E395 V399 L424 K427 Y433 R434E395-V429 HydrophobicContact CB-CG1 4.48Å; E395-V429 HydrophobicContact CB-CG2 4.31Å; E395-V429 HydrophobicContact CG-CG2 4.3Å; V399-V429 HydrophobicContact CG2-CG1 3.37Å; V399-V429 HydrophobicContact CG2-CG2 4.48Å; L424-V429 HydrophobicContact CB-CB 4.27Å; L424-V429 HydrophobicContact CB-CG2 4.3Å; L424-V429 HydrophobicContact CD2-CG2 3.99Å; L424-V429 VanDerWaalsContact O-CB 3.31Å; L424-V429 WeakPolarHBondContact O-CB 3.47Å; L424-V429 WeakPolarHBondContact O-CG2 3.33Å; L424-V429 PolarHBondContact O-N 3.13Å; K427-V429 HydrophobicContact CB-CG2 4.32Å; K427-V429 HydrophobicContact CD-CG2 4.21Å; K427-V429 HydrophobicContact CG-CG2 4.49Å; V429-Y433 HydrophobicContact CG1-CD2 4.47Å; V429-R434 HydrophobicContact CB-CG 4.26Å; V429-R434 HydrophobicContact CG1-CG 3.92Å; V429-R434 PolarHBondContact O-NE 3.34Å
430S94Very high94.8Very high45 Ų4549.1 Ų49.132%0.31524%0.236SC..  trans-54146.6-178.673.80000113.3G428 R432 Y433 R434G428-S430 PolarHBondContact O-N 3.08Å; S430-R432 PolarHBondContact O-N 3.5Å; S430-Y433 PolarHBondContact O-N 3.32Å; S430-Y433 VanDerWaalsContact O-N 3.08Å; S430-Y433 WeakPolarHBondContact OG-CD2 3.35Å; S430-Y433 PolarHBondContact OG-N 3.05Å; S430-R434 PolarHBondContact O-N 3.45Å
431E92.1Very high94.6Very high92 Ų9250.1 Ų50.143%0.4324%0.242SC..Hα-helixtrans-56.1-36.3176.3-179.559-151.900112Y433 R434 R435E431-Y433 PolarHBondContact O-N 3.46Å; E431-R434 PolarHBondContact O-N 2.86Å; E431-R434 IonicContact OE2-CZ 2.81Å; E431-R434 IonicContact OE2-NH1 2.89Å; E431-R434 PolarHBondContact OE2-NH1 3.39Å; E431-R434 IonicContact OE2-NH2 3.57Å; E431-R434 PolarHBondContact OE2-NH2 2.92Å; E431-R435 WeakPolarHBondContact O-CB 3.34Å; E431-R435 PolarHBondContact O-N 2.96Å; E431-R435 IonicContact OE1-NH2 2.7Å; E431-R435 PolarHBondContact OE1-NH2 3.35Å
432R91.4Very high94.4Very high89 Ų8950 Ų5034%0.33624%0.241SC..Hα-helixtrans-56.7-49.1175.2-179.3179.6176.1-151.2-2.7111.4S430 M436S430-R432 PolarHBondContact O-N 3.5Å; R432-M436 HydrophobicContact CG-CE 4.23Å; R432-M436 WeakPolarHBondContact O-CG 2.86Å; R432-M436 PolarHBondContact O-N 3.23Å
433Y93.6Very high94.2Very high56 Ų5645.1 Ų45.122%0.2222%0.218CC..Hα-helixtrans-71.4-39.6179.9-73.2-47.5000112.7E395 L396 V399 V429 S430 E431 R435 M436E395-Y433 HydrophobicContact CB-CD2 4.08Å; E395-Y433 HydrophobicContact CB-CE2 4.21Å; E395-Y433 WeakPolarHBondContact OE2-CD2 3.25Å; E395-Y433 WeakPolarHBondContact OE2-CE2 3.32Å; L396-Y433 HydrophobicContact CD1-CE1 4.18Å; V399-Y433 WeakPolarHBondContact CG1-O 3.46Å; V429-Y433 HydrophobicContact CG1-CD2 4.47Å; S430-Y433 PolarHBondContact O-N 3.32Å; S430-Y433 VanDerWaalsContact O-N 3.08Å; S430-Y433 WeakPolarHBondContact OG-CD2 3.35Å; S430-Y433 PolarHBondContact OG-N 3.05Å; E431-Y433 PolarHBondContact O-N 3.46Å; Y433-R435 VanDerWaalsContact C-N 3.29Å; Y433-R435 PolarHBondContact O-N 3.29Å; Y433-M436 HydrophobicContact CD1-CE 4.27Å; Y433-M436 HydrophobicContact CD1-SD 3.68Å; Y433-M436 HydrophobicContact CE1-CE 4.47Å; Y433-M436 HydrophobicContact CE1-SD 4.26Å; Y433-M436 WeakPolarHBondContact O-CB 3.41Å; Y433-M436 PolarHBondContact O-N 2.9Å
434R94.7Very high94Very high52 Ų5244.4 Ų44.420%0.19622%0.215CC..Hα-helixtrans-58.7-42.3175.9-72.9-173.6-76.1118.99.8111.3M421 L424 V429 S430 E431 M436 V437M421-R434 HydrophobicContact CE-CB 3.94Å; M421-R434 WeakPolarHBondContact CE-O 3.45Å; L424-R434 HydrophobicContact CB-CG 4.08Å; L424-R434 HydrophobicContact CD1-CG 4.47Å; V429-R434 HydrophobicContact CB-CG 4.26Å; V429-R434 HydrophobicContact CG1-CG 3.92Å; V429-R434 PolarHBondContact O-NE 3.34Å; S430-R434 PolarHBondContact O-N 3.45Å; E431-R434 PolarHBondContact O-N 2.86Å; E431-R434 IonicContact OE2-CZ 2.81Å; E431-R434 IonicContact OE2-NH1 2.89Å; E431-R434 PolarHBondContact OE2-NH1 3.39Å; E431-R434 IonicContact OE2-NH2 3.57Å; E431-R434 PolarHBondContact OE2-NH2 2.92Å; R434-M436 VanDerWaalsContact C-N 3.26Å; R434-M436 PolarHBondContact O-N 3.44Å; R434-V437 WeakPolarHBondContact O-CB 3.39Å; R434-V437 PolarHBondContact O-N 3.3Å
435R93.5Very high93.7Very high89 Ų8944.4 Ų44.434%0.33622%0.215SC..Hα-helixtrans-60.9-32.4175.8-169175.4-58.8140.78113.4E431 Y433 V437 Q438 S439E431-R435 WeakPolarHBondContact O-CB 3.34Å; E431-R435 PolarHBondContact O-N 2.96Å; E431-R435 IonicContact OE1-NH2 2.7Å; E431-R435 PolarHBondContact OE1-NH2 3.35Å; Y433-R435 VanDerWaalsContact C-N 3.29Å; Y433-R435 PolarHBondContact O-N 3.29Å; R435-V437 PolarHBondContact O-N 3.14Å; R435-Q438 PolarHBondContact O-N 3.26Å; R435-Q438 VanDerWaalsContact O-N 3.17Å; R435-S439 PolarHBondContact O-N 3.07Å; R435-S439 VanDerWaalsContact O-N 3.13Å; R435-S439 PolarHBondContact O-OG 3.14Å
436M94.9Very high93.2Very high5 Ų545.8 Ų45.83%0.02521%0.214CC..Hα-helixtrans-62.7-25.8179.7-67.5174.4172.700112.8M403 R432 Y433 R434 Q438 S439 V440 L558 M562M403-M436 VanDerWaalsContact CE-C 3.48Å; M403-M436 HydrophobicContact CE-CB 3.2Å; M403-M436 HydrophobicContact CE-CG 4.41Å; R432-M436 HydrophobicContact CG-CE 4.23Å; R432-M436 WeakPolarHBondContact O-CG 2.86Å; R432-M436 PolarHBondContact O-N 3.23Å; Y433-M436 HydrophobicContact CD1-CE 4.27Å; Y433-M436 HydrophobicContact CD1-SD 3.68Å; Y433-M436 HydrophobicContact CE1-CE 4.47Å; Y433-M436 HydrophobicContact CE1-SD 4.26Å; Y433-M436 WeakPolarHBondContact O-CB 3.41Å; Y433-M436 PolarHBondContact O-N 2.9Å; R434-M436 VanDerWaalsContact C-N 3.26Å; R434-M436 PolarHBondContact O-N 3.44Å; M436-Q438 VanDerWaalsContact C-N 3.33Å; M436-Q438 PolarHBondContact O-N 3.22Å; M436-S439 PolarHBondContact O-N 3.45Å; M436-V440 WeakPolarHBondContact O-CB 3.42Å; M436-V440 VanDerWaalsContact O-CG2 3.31Å; M436-V440 WeakPolarHBondContact O-CG2 3.4Å; M436-V440 PolarHBondContact O-N 3.25Å; M436-L558 HydrophobicContact CE-CB 4.37Å; M436-L558 HydrophobicContact SD-CB 3.97Å; M436-L558 HydrophobicContact SD-CD1 3.94Å; M436-L558 HydrophobicContact SD-CG 4.4Å; M436-M562 HydrophobicContact CB-SD 4.45Å; M436-M562 HydrophobicContact CE-CG 3.96Å; M436-M562 HydrophobicContact CG-CE 4.49Å; M436-M562 HydrophobicContact CG-CG 3.92Å; M436-M562 HydrophobicContact CG-SD 3.68Å
437V95.9Very high92.6Very high3 Ų345.9 Ų45.92%0.01821%0.214CC..Hα-helixtrans-58-49.1174.61800000110.4V399 V402 M403 A406 L417 M421 L424 R434 R435 V440 V441V399-V437 HydrophobicContact CG1-CG2 4.08Å; V402-V437 HydrophobicContact CB-CG2 4.49Å; V402-V437 HydrophobicContact CG1-CG1 4.02Å; V402-V437 HydrophobicContact CG1-CG2 4.16Å; M403-V437 HydrophobicContact CG-CB 4.46Å; M403-V437 HydrophobicContact CG-CG2 4.11Å; A406-V437 HydrophobicContact CB-CG1 4.09Å; L417-V437 HydrophobicContact CD1-CG1 4.1Å; M421-V437 HydrophobicContact CE-CB 4.39Å; M421-V437 HydrophobicContact CE-CG2 4.46Å; M421-V437 HydrophobicContact SD-CB 3.91Å; M421-V437 HydrophobicContact SD-CG1 3.92Å; M421-V437 HydrophobicContact SD-CG2 3.84Å; L424-V437 HydrophobicContact CD1-CG2 4.38Å; R434-V437 WeakPolarHBondContact O-CB 3.39Å; R434-V437 PolarHBondContact O-N 3.3Å; R435-V437 PolarHBondContact O-N 3.14Å; V437-V440 PolarHBondContact O-N 2.88Å; V437-V441 WeakPolarHBondContact O-CG2 3.26Å; V437-V441 PolarHBondContact O-N 2.89Å
438Q93.3Very high92.1Very high95 Ų9545.2 Ų45.244%0.44421%0.213SC..Hα-helixtrans-66.8-42.9177.6-177.758.432.200111.3R435 M436 V440 V441 E442R435-Q438 PolarHBondContact O-N 3.26Å; R435-Q438 VanDerWaalsContact O-N 3.17Å; M436-Q438 VanDerWaalsContact C-N 3.33Å; M436-Q438 PolarHBondContact O-N 3.22Å; Q438-V440 VanDerWaalsContact C-N 3.32Å; Q438-V440 PolarHBondContact O-N 3.38Å; Q438-V441 PolarHBondContact O-N 2.97Å; Q438-E442 WeakPolarHBondContact CG-OE1 3.24Å; Q438-E442 PolarHBondContact NE2-OE1 3.25Å; Q438-E442 WeakPolarHBondContact O-CG 3.42Å; Q438-E442 PolarHBondContact O-N 3.19Å
439S94.2Very high91.5Very high0 Ų044.1 Ų44.10%019%0.193CC..Hα-helixtrans-60.8-37.7178.4-55.40000113R435 M436 E442 Y443 V561 M562 T565R435-S439 PolarHBondContact O-N 3.07Å; R435-S439 VanDerWaalsContact O-N 3.13Å; R435-S439 PolarHBondContact O-OG 3.14Å; M436-S439 PolarHBondContact O-N 3.45Å; S439-E442 PolarHBondContact O-N 2.8Å; S439-Y443 VanDerWaalsContact O-CB 3.24Å; S439-Y443 WeakPolarHBondContact O-CB 3.36Å; S439-Y443 PolarHBondContact O-N 3.31Å; S439-V561 WeakPolarHBondContact O-CG1 3.25Å; S439-M562 PolarHBondContact OG-SD 3.27Å; S439-T565 WeakPolarHBondContact O-CG2 3.31Å
440V95.2Very high90.5Very high0 Ų045.8 Ų45.80%021%0.211CC..Hα-helixtrans-67.2-40.6177.2166.70000111.2L240 M403 L407 M436 V437 Q438 Y443 G444 L558 V561L240-V440 HydrophobicContact CD1-CG1 4.23Å; M403-V440 HydrophobicContact CB-CG1 4.46Å; M403-V440 HydrophobicContact CE-CG2 4.06Å; M403-V440 HydrophobicContact CG-CB 4.43Å; M403-V440 HydrophobicContact CG-CG2 4.29Å; M403-V440 HydrophobicContact SD-CG2 4.11Å; L407-V440 HydrophobicContact CD1-CG1 3.58Å; L407-V440 HydrophobicContact CD2-CG1 4.01Å; L407-V440 HydrophobicContact CG-CG1 3.87Å; M436-V440 WeakPolarHBondContact O-CB 3.42Å; M436-V440 VanDerWaalsContact O-CG2 3.31Å; M436-V440 WeakPolarHBondContact O-CG2 3.4Å; M436-V440 PolarHBondContact O-N 3.25Å; V437-V440 PolarHBondContact O-N 2.88Å; Q438-V440 VanDerWaalsContact C-N 3.32Å; Q438-V440 PolarHBondContact O-N 3.38Å; V440-Y443 PolarHBondContact O-N 3.33Å; V440-G444 PolarHBondContact O-N 2.98Å; V440-L558 HydrophobicContact CG2-CD2 3.56Å; V440-V561 HydrophobicContact CG2-CG1 4Å; V440-V561 HydrophobicContact CG2-CG2 4.5Å
441V93Very high89.6Confident22 Ų2244.6 Ų44.613%0.13320%0.203CC..Hα-helixtrans-66.1-39.4174.4177.40000111.1A406 E410 V437 Q438 Y443 G445A406-V441 HydrophobicContact CB-CG2 3.67Å; E410-V441 HydrophobicContact CG-CG1 4.23Å; V437-V441 WeakPolarHBondContact O-CG2 3.26Å; V437-V441 PolarHBondContact O-N 2.89Å; Q438-V441 PolarHBondContact O-N 2.97Å; V441-Y443 VanDerWaalsContact C-N 3.29Å; V441-Y443 PolarHBondContact O-N 3.37Å; V441-G445 WeakPolarHBondContact O-CA 3.41Å; V441-G445 PolarHBondContact O-N 2.89Å
442E91.9Very high88.5Confident51 Ų5146.5 Ų46.524%0.23822%0.216CC..Hα-helixtrans-64.6-33.1173.4-74.3175.9-16600112.7Q438 S439 I448 T565 H567Q438-E442 WeakPolarHBondContact CG-OE1 3.24Å; Q438-E442 PolarHBondContact NE2-OE1 3.25Å; Q438-E442 WeakPolarHBondContact O-CG 3.42Å; Q438-E442 PolarHBondContact O-N 3.19Å; S439-E442 PolarHBondContact O-N 2.8Å; E442-I448 WeakPolarHBondContact O-CG1 3.22Å; E442-T565 HydrophobicContact CB-CG2 4.05Å; E442-H567 IonicContact OE2-CE1 3.68Å
443Y92.9Very high87.2Confident1 Ų143.7 Ų43.70%0.00421%0.207CC..Hα-helixtrans-78.6-45.6-179.2179.2-86.4000113.2R162 R232 S233 A236 S439 V440 V441 I448 S522 F557 V561 A564R162-Y443 VanDerWaalsContact NH1-CE2 3.27Å; R162-Y443 PolarHBondContact NH1-OH 3.12Å; R232-Y443 WeakPolarHBondContact CB-OH 3.17Å; R232-Y443 HydrophobicContact CG-CE1 4.04Å; R232-Y443 VanDerWaalsContact CG-OH 3.31Å; R232-Y443 WeakPolarHBondContact CG-OH 3.43Å; S233-Y443 WeakPolarHBondContact CB-O 3.43Å; A236-Y443 HydrophobicContact CB-CD1 4.49Å; S439-Y443 VanDerWaalsContact O-CB 3.24Å; S439-Y443 WeakPolarHBondContact O-CB 3.36Å; S439-Y443 PolarHBondContact O-N 3.31Å; V440-Y443 PolarHBondContact O-N 3.33Å; V441-Y443 VanDerWaalsContact C-N 3.29Å; V441-Y443 PolarHBondContact O-N 3.37Å; Y443-I448 WeakPolarHBondContact O-CG2 3.26Å; Y443-S522 WeakPolarHBondContact OH-CB 3.22Å; Y443-F557 HydrophobicContact CD1-CE2 4.38Å; Y443-F557 HydrophobicContact CD1-CZ 4.24Å; Y443-F557 AromaticContact CE1-CE2 3.82Å; Y443-F557 HydrophobicContact CE1-CE2 3.82Å; Y443-F557 HydrophobicContact CE1-CZ 4.08Å; Y443-V561 HydrophobicContact CD1-CG2 3.96Å; Y443-V561 HydrophobicContact CD2-CB 4.4Å; Y443-V561 HydrophobicContact CD2-CG2 3.97Å; Y443-V561 HydrophobicContact CE1-CG2 4.33Å; Y443-V561 HydrophobicContact CE2-CG2 4.31Å; Y443-V561 HydrophobicContact CG-CB 4.45Å; Y443-V561 HydrophobicContact CG-CG1 4.32Å; Y443-V561 HydrophobicContact CG-CG2 3.78Å; Y443-A564 HydrophobicContact CD2-CB 3.79Å; Y443-A564 HydrophobicContact CE2-CB 3.87Å
444G91.6Very high85.7Confident0 Ų042.1 Ų42.10%020%0.203CC..Hα-helixtrans-13822.6-169.700000115S233 V440 R449S233-G444 VanDerWaalsContact O-CA 3.32Å; S233-G444 WeakPolarHBondContact O-CA 3.41Å; V440-G444 PolarHBondContact O-N 2.98Å; G444-R449 WeakPolarHBondContact O-CD 3.4Å; G444-R449 VanDerWaalsContact O-CG 3.31Å; G444-R449 WeakPolarHBondContact O-CG 3.41Å; G444-R449 PolarHBondContact O-NE 2.97Å
445G89.8Confident83.7Confident1 Ų143.3 Ų43.31%0.0122%0.216CC..SBendtrans-70.6172.2174.600000113.6E410 V441 R447 I448 R449E410-G445 WeakPolarHBondContact OE2-CA 3.32Å; V441-G445 WeakPolarHBondContact O-CA 3.41Å; V441-G445 PolarHBondContact O-N 2.89Å; G445-R447 PolarHBondContact O-N 3.06Å; G445-I448 PolarHBondContact O-N 2.87Å; G445-R449 WeakPolarHBondContact O-CG 3.43Å; G445-R449 PolarHBondContact O-N 3.37Å; G445-R449 VanDerWaalsContact O-N 3.14Å
446K86.1Confident81.4Confident89 Ų8944.1 Ų44.139%0.38723%0.233SC..THydrogen-bonded Turntrans-55.5-19.8-178.8-73.2-164.7174.8-167.60114.6E410 R411 R449E410-K446 WeakPolarHBondContact OE2-CB 3.12Å; E410-K446 PolarHBondContact OE2-N 3.36Å; R411-K446 HydrophobicContact CG-CD 4.34Å; K446-R449 VanDerWaalsContact CG-NH2 3.26Å
447R82.8Confident79Confident157 Ų15745.8 Ų45.859%0.59224%0.243SC*.THydrogen-bonded Turntrans-81-22.9177.3-62.2-177.8-174.5-159.8-2.4113.4G445G445-R447 PolarHBondContact O-N 3.06Å
448I83.3Confident76.2Confident50 Ų5051.6 Ų51.626%0.25627%0.274SS..THydrogen-bonded Turntrans-98.7-37.9-178-56.7-58.8000111.1E442 Y443 G445E442-I448 WeakPolarHBondContact O-CG1 3.22Å; Y443-I448 WeakPolarHBondContact O-CG2 3.26Å; G445-I448 PolarHBondContact O-N 2.87Å
449R82.3Confident73.7Confident26 Ų2650.8 Ų50.810%0.09828%0.284CS..  trans-64.5136.5-177.1-63.1-175.4-71.1-158-6.4111.9S233 D234 L407 G444 G445 K446S233-R449 WeakPolarHBondContact O-CG 3.4Å; D234-R449 WeakPolarHBondContact O-CD 3.24Å; D234-R449 VanDerWaalsContact OD1-CA 3.31Å; D234-R449 WeakPolarHBondContact OD1-CA 3.49Å; D234-R449 WeakPolarHBondContact OD1-CB 3.35Å; L407-R449 PolarHBondContact O-NH2 2.91Å; L407-R449 VanDerWaalsContact O-NH2 3.12Å; G444-R449 WeakPolarHBondContact O-CD 3.4Å; G444-R449 VanDerWaalsContact O-CG 3.31Å; G444-R449 WeakPolarHBondContact O-CG 3.41Å; G444-R449 PolarHBondContact O-NE 2.97Å; G445-R449 WeakPolarHBondContact O-CG 3.43Å; G445-R449 PolarHBondContact O-N 3.37Å; G445-R449 VanDerWaalsContact O-N 3.14Å; K446-R449 VanDerWaalsContact CG-NH2 3.26Å
450G73.4Confident71.1Confident39 Ų3955.8 Ų55.840%0.40231%0.314SS..SBendtrans-92.2-19.7171.400000112.7D234D234-G450 PolarHBondContact OD1-N 3.35Å
451S75.7Confident68.6Low19 Ų1957.5 Ų57.513%0.13333%0.326CS..SBendtrans-109.6149.8178.4-52.80000111.4D234 L453D234-S451 PolarHBondContact OD1-N 3.31Å; D234-S451 VanDerWaalsContact OD2-CB 3.23Å; D234-S451 WeakPolarHBondContact OD2-CB 3.39Å; D234-S451 PolarHBondContact OD2-OG 2.89Å; S451-L453 PolarHBondContact O-N 3.48Å; S451-L453 VanDerWaalsContact O-N 3.16Å
452D69.3Low66.2Low132 Ų13260 Ų6071%0.70634%0.338SS*.  trans-78.496.8168.5-76.7-41.3000109I454D452-I454 PolarHBondContact O-N 3.48Å; D452-I454 VanDerWaalsContact O-N 3.15Å
453L63.4Low63.7Low30 Ų3062 Ų6216%0.15735%0.354CS..SBendtrans-58.4-25.3177.7-87.4-171.1000114.4D234 D235 I237 S451 L483D234-L453 WeakPolarHBondContact O-CD1 3.33Å; D234-L453 WeakPolarHBondContact O-CD2 3.43Å; D234-L453 WeakPolarHBondContact O-CG 3.47Å; D235-L453 HydrophobicContact CB-CD2 3.78Å; I237-L453 HydrophobicContact CB-CD1 4.49Å; I237-L453 HydrophobicContact CD1-CB 4.21Å; I237-L453 HydrophobicContact CD1-CD1 3.84Å; I237-L453 HydrophobicContact CG1-CD1 3.92Å; S451-L453 PolarHBondContact O-N 3.48Å; S451-L453 VanDerWaalsContact O-N 3.16Å; L453-L483 HydrophobicContact CD2-CB 3.85Å; L453-L483 HydrophobicContact CD2-CD1 4.48Å; L453-L483 HydrophobicContact CD2-CD2 3.8Å; L453-L483 HydrophobicContact CD2-CG 4.24Å
454I62.6Low61.1Low23 Ų2370.2 Ų70.212%0.11839%0.389CS..SBendtrans-123.981.5176.8-41.1105.7000108.1I237 D452I237-I454 HydrophobicContact CD1-CD1 4.22Å; I237-I454 HydrophobicContact CD1-CG1 4.2Å; D452-I454 PolarHBondContact O-N 3.48Å; D452-I454 VanDerWaalsContact O-N 3.15Å
455T52.4Low58.7Low77 Ų7774.5 Ų74.547%0.47241%0.409SS..  trans-57.5127.1161.737.10000108T457T455-T457 PolarHBondContact O-N 3.47Å
456P44.6Very low56.4Low106 Ų10679.2 Ų79.269%0.68843%0.43SS*.  trans-63.596.4161.47.83.1000105.7D458P456-D458 PolarHBondContact O-N 2.91Å
457T45.1Very low54.2Low41 Ų4182.9 Ų82.925%0.25245%0.446SS..  trans-66.7114.5171.126.50000106.2T455 A459 S461T455-T457 PolarHBondContact O-N 3.47Å; T457-A459 PolarHBondContact O-N 3.48Å; T457-S461 WeakPolarHBondContact CA-OG 3.4Å; T457-S461 VanDerWaalsContact CB-OG 3.24Å; T457-S461 WeakPolarHBondContact CB-OG 3.49Å
458D37.4Very low52Low125 Ų12583.7 Ų83.767%0.66845%0.454SS*.  trans-45.6140.7171.8-74-40.4000108.6P456 V460 S461 I462P456-D458 PolarHBondContact O-N 2.91Å; D458-V460 PolarHBondContact O-N 3.08Å; D458-S461 PolarHBondContact N-OG 3.43Å; D458-S461 WeakPolarHBondContact O-CA 3.5Å; D458-S461 WeakPolarHBondContact O-CB 3.36Å; D458-S461 PolarHBondContact O-N 3.27Å; D458-S461 PolarHBondContact O-OG 3.03Å; D458-I462 PolarHBondContact O-N 3.46Å
459A41.4Very low49.9Very low78 Ų7883.1 Ų83.165%0.64546%0.461SS*.Hα-helixtrans-53.2-20.317900000113.6T457 T463T457-A459 PolarHBondContact O-N 3.48Å; A459-T463 PolarHBondContact O-OG1 2.95Å
460V39.2Very low47.9Very low104 Ų10489.3 Ų89.363%0.6350%0.495SS*.Hα-helixtrans-79.5-24174.9-172.90000113.2D458 T463D458-V460 PolarHBondContact O-N 3.08Å; V460-T463 WeakPolarHBondContact CA-OG1 3.28Å; V460-T463 PolarHBondContact O-OG1 2.96Å
461S41.9Very low46.4Very low37 Ų3795.9 Ų95.926%0.25951%0.512SS..Hα-helixtrans-84.5-30.1171.863.70000112.2T457 D458 T463 K464 Q465T457-S461 WeakPolarHBondContact CA-OG 3.4Å; T457-S461 VanDerWaalsContact CB-OG 3.24Å; T457-S461 WeakPolarHBondContact CB-OG 3.49Å; D458-S461 PolarHBondContact N-OG 3.43Å; D458-S461 WeakPolarHBondContact O-CA 3.5Å; D458-S461 WeakPolarHBondContact O-CB 3.36Å; D458-S461 PolarHBondContact O-N 3.27Å; D458-S461 PolarHBondContact O-OG 3.03Å; S461-T463 PolarHBondContact O-N 3.46Å; S461-K464 CarbonylContact O-C 3.55Å; S461-K464 WeakPolarHBondContact O-CA 3.31Å; S461-K464 PolarHBondContact O-N 3.21Å; S461-Q465 WeakPolarHBondContact O-CB 3.49Å; S461-Q465 PolarHBondContact O-N 3.31Å
462I42.8Very low44.7Very low75 Ų7597.1 Ų97.139%0.38553%0.528SS..Hα-helixtrans-54.4-43.5167.9-61.8179000109.5D458 K464 Q465 F466D458-I462 PolarHBondContact O-N 3.46Å; I462-K464 PolarHBondContact O-N 2.96Å; I462-Q465 PolarHBondContact O-N 3.09Å; I462-F466 VanDerWaalsContact C-CE2 3.47Å; I462-F466 HydrophobicContact CG2-CE1 4.01Å; I462-F466 HydrophobicContact CG2-CE2 3.74Å; I462-F466 HydrophobicContact CG2-CZ 3.35Å; I462-F466 WeakPolarHBondContact O-CD2 3.26Å; I462-F466 WeakPolarHBondContact O-CE2 3.36Å; I462-F466 VanDerWaalsContact O-CG 3.23Å; I462-F466 WeakPolarHBondContact O-CG 3.26Å; I462-F466 PolarHBondContact O-N 2.98Å; I462-F466 VanDerWaalsContact O-N 3.1Å
463T39.6Very low43.5Very low92 Ų9296.2 Ų96.256%0.56453%0.527SS*.Hα-helixtrans-63.9-20.1175.136.40000115.8A459 V460 S461 F466A459-T463 PolarHBondContact O-OG1 2.95Å; V460-T463 WeakPolarHBondContact CA-OG1 3.28Å; V460-T463 PolarHBondContact O-OG1 2.96Å; S461-T463 PolarHBondContact O-N 3.46Å; T463-F466 VanDerWaalsContact CA-CE2 3.48Å; T463-F466 HydrophobicContact CG2-CD2 4.33Å; T463-F466 HydrophobicContact CG2-CE2 3.89Å
464K38.3Very low43.1Very low173 Ų173101.9 Ų101.975%0.75255%0.552SS**Hα-helixtrans-103.8-25177.7-74.2180177175.10114S461 I462 F466S461-K464 CarbonylContact O-C 3.55Å; S461-K464 WeakPolarHBondContact O-CA 3.31Å; S461-K464 PolarHBondContact O-N 3.21Å; I462-K464 PolarHBondContact O-N 2.96Å; K464-F466 VanDerWaalsContact C-N 3.32Å
465Q40.9Very low43.6Very low90 Ų90103.2 Ų103.242%0.42156%0.56SS.*Hα-helixtrans-84.2-5.5173.3-87177.4-29.900112.7S461 I462 F467S461-Q465 WeakPolarHBondContact O-CB 3.49Å; S461-Q465 PolarHBondContact O-N 3.31Å; I462-Q465 PolarHBondContact O-N 3.09Å; Q465-F467 PolarHBondContact O-N 2.93Å
466F41.5Very low45Very low101 Ų101102.4 Ų102.444%0.44356%0.555SS.*  trans-6369156.1-61.4-58.6000110.1I462 T463 K464 K468I462-F466 VanDerWaalsContact C-CE2 3.47Å; I462-F466 HydrophobicContact CG2-CE1 4.01Å; I462-F466 HydrophobicContact CG2-CE2 3.74Å; I462-F466 HydrophobicContact CG2-CZ 3.35Å; I462-F466 WeakPolarHBondContact O-CD2 3.26Å; I462-F466 WeakPolarHBondContact O-CE2 3.36Å; I462-F466 VanDerWaalsContact O-CG 3.23Å; I462-F466 WeakPolarHBondContact O-CG 3.26Å; I462-F466 PolarHBondContact O-N 2.98Å; I462-F466 VanDerWaalsContact O-N 3.1Å; T463-F466 VanDerWaalsContact CA-CE2 3.48Å; T463-F466 HydrophobicContact CG2-CD2 4.33Å; T463-F466 HydrophobicContact CG2-CE2 3.89Å; K464-F466 VanDerWaalsContact C-N 3.32Å; F466-K468 PolarHBondContact O-N 3.13Å
467F39.3Very low47Very low166 Ų166100.5 Ų100.573%0.72853%0.534SS*.  trans-57.797.2158.5-99.7-88000105.9Q465 G469Q465-F467 PolarHBondContact O-N 2.93Å; F467-G469 PolarHBondContact O-N 3.12Å
468K37.6Very low49Very low173 Ų173101.7 Ų101.775%0.75254%0.541SS*.  trans-40.2114.8155.1-75.4178.3177.3179.20105.3F466F466-K468 PolarHBondContact O-N 3.13Å
469G39.2Very low51.4Low39 Ų3999.9 Ų99.940%0.40253%0.529SS..  trans-50.6169.7166.800000109.2F467 K471 G472F467-G469 PolarHBondContact O-N 3.12Å; G469-K471 PolarHBondContact O-N 2.76Å; G469-G472 PolarHBondContact O-N 3.39Å
470L40.5Very low53.8Low155 Ų15597.4 Ų97.481%0.81250%0.504SS*.THydrogen-bonded Turntrans-52.8-5.6179.6-75.6155.6000114.4
471K42.6Very low56.3Low178 Ų17896 Ų9677%0.77449%0.491SS*.THydrogen-bonded Turntrans-132.112.6171.8-66.3-179.3175.3172.60116.4G469 V473G469-K471 PolarHBondContact O-N 2.76Å; K471-V473 VanDerWaalsContact C-N 3.34Å; K471-V473 PolarHBondContact O-N 3.49Å
472G39Very low58.9Low44 Ų4494.3 Ų94.345%0.45448%0.479SS..SBendtrans71.518.1174.400000116.7G469G469-G472 PolarHBondContact O-N 3.39Å
473V44.8Very low61.3Low114 Ų11492.3 Ų92.369%0.69147%0.469SS*.  trans-98.1125.9173.4-175.50000109K471K471-V473 VanDerWaalsContact C-N 3.34Å; K471-V473 PolarHBondContact O-N 3.49Å
474E53.9Low64.1Low148 Ų14888.3 Ų88.369%0.69244%0.444SS*.  trans-66.2132.8173.8-67.9177.7-179.600110
475N72.8Confident66.8Low52 Ų5281.5 Ų81.528%0.27842%0.415SS..  trans-115.6106.4175.7-173.4-6.1000109.5Y477 T478N475-Y477 PolarHBondContact O-N 3.37Å; N475-Y477 VanDerWaalsContact O-N 3.16Å; N475-Y477 WeakPolarHBondContact OD1-CB 3.36Å; N475-Y477 WeakPolarHBondContact OD1-CD2 3.34Å; N475-Y477 PolarHBondContact OD1-N 3.27Å; N475-T478 WeakPolarHBondContact CB-OG1 3.37Å; N475-T478 PolarHBondContact ND2-OG1 3.24Å; N475-T478 PolarHBondContact O-N 2.98Å
476V82.6Confident69.4Low59 Ų5979.9 Ų79.936%0.35841%0.409SS..G310 helixtrans-61.1-23179.5-176.70000111.8E366 Q369E366-V476 HydrophobicContact CG-CG1 4.13Å; Q369-V476 WeakPolarHBondContact CG-O 3.36Å
477Y86.1Confident72Confident67 Ų6775.5 Ų75.526%0.26339%0.39SS..G310 helixtrans-87.5-6.3-175.5-48.7-63.9000114.3W244 M362 E366 Q369 N475W244-Y477 VanDerWaalsContact CD1-O 3.24Å; M362-Y477 HydrophobicContact CB-CE1 4.43Å; M362-Y477 HydrophobicContact CE-CD2 3.94Å; M362-Y477 HydrophobicContact CE-CE1 4.07Å; M362-Y477 HydrophobicContact CE-CE2 3.3Å; M362-Y477 WeakPolarHBondContact O-CE1 3.3Å; E366-Y477 HydrophobicContact CB-CE1 4.31Å; Q369-Y477 PolarHBondContact NE2-O 2.83Å; N475-Y477 PolarHBondContact O-N 3.37Å; N475-Y477 VanDerWaalsContact O-N 3.16Å; N475-Y477 WeakPolarHBondContact OD1-CB 3.36Å; N475-Y477 WeakPolarHBondContact OD1-CD2 3.34Å; N475-Y477 PolarHBondContact OD1-N 3.27Å
478T86.7Confident74.7Confident65 Ų6567.6 Ų67.640%0.39936%0.356SS..G310 helixtrans-136.942.6-175.664.20000111.8W244 N475W244-T478 HydrophobicContact CB-CG2 3.95Å; W244-T478 HydrophobicContact CG-CG2 4.45Å; N475-T478 WeakPolarHBondContact CB-OG1 3.37Å; N475-T478 PolarHBondContact ND2-OG1 3.24Å; N475-T478 PolarHBondContact O-N 2.98Å
479Q88.9Confident77.5Confident87 Ų8761.5 Ų61.541%0.40733%0.331SS..  trans-79.6-37.3179.8-65-177.9-1.600112.1
480H92.3Very high80.1Confident26 Ų2663 Ų6312%0.1233%0.328CS..  trans-62.7139.3-179.6165.9-84.6000111.4T238 L241 A372 C373T238-H480 PolarHBondContact OG1-CE1 2.83Å; L241-H480 HydrophobicContact CD1-CB 3.65Å; L241-H480 WeakPolarHBondContact CD1-ND1 3.47Å; A372-H480 HydrophobicContact CB-CB 4.35Å; C373-H480 WeakPolarHBondContact SG-CA 3.49Å; C373-H480 PolarHBondContact SG-N 3.16Å; C373-H480 VanDerWaalsContact SG-N 3.42Å
481Q91.3Very high82.8Confident76 Ų7655.8 Ų55.836%0.35529%0.29SS..  trans-122.9130.3172.3-172.416541.300109.5H485Q481-H485 VanDerWaalsContact CD-ND1 3.27Å; Q481-H485 HydrophobicContact CG-CB 3.59Å; Q481-H485 PolarHBondContact NE2-CD2 3.3Å; Q481-H485 PolarHBondContact NE2-CE1 3.17Å; Q481-H485 VanDerWaalsContact NE2-CE1 3.3Å; Q481-H485 PolarHBondContact NE2-ND1 2.84Å; Q481-H485 PolarHBondContact NE2-NE2 2.71Å; Q481-H485 VanDerWaalsContact NE2-NE2 3.13Å; Q481-H485 PolarHBondContact OE1-ND1 3.46Å
482P95.4Very high85.3Confident1 Ų148.1 Ų48.11%0.00626%0.257CS..  trans-59.4147.5-179.7-25.134.3000112.8T238 L484 H485 E527 E528T238-P482 HydrophobicContact CG2-CB 4.16Å; T238-P482 HydrophobicContact CG2-CG 4.01Å; P482-L484 HydrophobicContact CB-CB 4.42Å; P482-L484 PolarHBondContact O-N 3.44Å; P482-H485 WeakPolarHBondContact O-CB 3.49Å; P482-H485 PolarHBondContact O-N 2.94Å; P482-E527 HydrophobicContact CG-CB 4.42Å; P482-E527 HydrophobicContact CG-CG 3.64Å; P482-E528 HydrophobicContact CB-CG 3.87Å; P482-E528 HydrophobicContact CG-CG 4.16Å
483L94.6Very high87.9Confident33 Ų3350.3 Ų50.317%0.17325%0.254CS..Hα-helixtrans-54.1-29.1175.1177.464.8000112.5D234 D235 L453 H485 D486 T487D234-L483 HydrophobicContact CB-CD2 4.05Å; D235-L483 HydrophobicContact CB-CB 4.05Å; D235-L483 HydrophobicContact CB-CD2 4.3Å; D235-L483 PolarHBondContact OD2-N 3.41Å; L453-L483 HydrophobicContact CD2-CB 3.85Å; L453-L483 HydrophobicContact CD2-CD1 4.48Å; L453-L483 HydrophobicContact CD2-CD2 3.8Å; L453-L483 HydrophobicContact CD2-CG 4.24Å; L483-H485 PolarHBondContact O-N 2.8Å; L483-D486 PolarHBondContact O-N 2.95Å; L483-T487 PolarHBondContact O-N 3.22Å; L483-T487 PolarHBondContact O-OG1 3.19Å
484L97.1Very high90.2Very high7 Ų747.7 Ų47.74%0.03725%0.25CS..Hα-helixtrans-56.6-35.3176.3-179.462.4000112.6L230 P482 T487 L488 V518 E528 V532 L546L230-L484 HydrophobicContact CD1-CD1 3.63Å; P482-L484 HydrophobicContact CB-CB 4.42Å; P482-L484 PolarHBondContact O-N 3.44Å; L484-T487 PolarHBondContact O-N 3.06Å; L484-L488 HydrophobicContact CD1-CD1 3.87Å; L484-L488 HydrophobicContact CD1-CG 3.9Å; L484-L488 HydrophobicContact CD2-CD1 4.34Å; L484-L488 HydrophobicContact CG-CD1 3.83Å; L484-L488 HydrophobicContact CG-CG 4.25Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 WeakPolarHBondContact O-CG 3.42Å; L484-L488 PolarHBondContact O-N 3.13Å; L484-V518 HydrophobicContact CD1-CG1 3.92Å; L484-V518 HydrophobicContact CD1-CG2 4.49Å; L484-E528 HydrophobicContact CB-CG 4.27Å; L484-E528 HydrophobicContact CD2-CB 3.76Å; L484-E528 HydrophobicContact CD2-CG 3.98Å; L484-V532 HydrophobicContact CD2-CG2 4.09Å; L484-L546 HydrophobicContact CD2-CD1 3.99Å; L484-L546 HydrophobicContact CD2-CD2 4.3Å
485H96.4Very high92.2Very high31 Ų3149.4 Ų49.414%0.14425%0.25CS..Hα-helixtrans-58.9-56.1179.4173.5-95000111.2Q481 P482 L483 T487 L488 D489 T531Q481-H485 VanDerWaalsContact CD-ND1 3.27Å; Q481-H485 HydrophobicContact CG-CB 3.59Å; Q481-H485 PolarHBondContact NE2-CD2 3.3Å; Q481-H485 PolarHBondContact NE2-CE1 3.17Å; Q481-H485 VanDerWaalsContact NE2-CE1 3.3Å; Q481-H485 PolarHBondContact NE2-ND1 2.84Å; Q481-H485 PolarHBondContact NE2-NE2 2.71Å; Q481-H485 VanDerWaalsContact NE2-NE2 3.13Å; Q481-H485 PolarHBondContact OE1-ND1 3.46Å; P482-H485 WeakPolarHBondContact O-CB 3.49Å; P482-H485 PolarHBondContact O-N 2.94Å; L483-H485 PolarHBondContact O-N 2.8Å; H485-T487 VanDerWaalsContact C-N 3.28Å; H485-T487 PolarHBondContact O-N 3.19Å; H485-L488 PolarHBondContact O-N 3.31Å; H485-L488 VanDerWaalsContact O-N 3.16Å; H485-D489 WeakPolarHBondContact O-CB 3.31Å; H485-D489 PolarHBondContact O-N 2.99Å; H485-T531 HydrophobicContact CB-CG2 3.66Å
486D93.9Very high93.2Very high56 Ų5647.3 Ų47.330%0.29924%0.239SC..Hα-helixtrans-66.5-35.5-175.8-70.3-8.6000111.2L483 D489 Q490L483-D486 PolarHBondContact O-N 2.95Å; D486-D489 PolarHBondContact O-N 2.71Å; D486-Q490 WeakPolarHBondContact O-CB 3.47Å; D486-Q490 VanDerWaalsContact O-CG 3.24Å; D486-Q490 WeakPolarHBondContact O-CG 3.44Å; D486-Q490 PolarHBondContact O-N 3.12Å
487T96.3Very high93.7Very high9 Ų950.3 Ų50.36%0.05525%0.247CC..Hα-helixtrans-59.9-47.3173.6-560000111L228 L230 L483 L484 H485 L491 L496 F501L228-T487 HydrophobicContact CD2-CG2 3.95Å; L230-T487 HydrophobicContact CD2-CG2 4.4Å; L483-T487 PolarHBondContact O-N 3.22Å; L483-T487 PolarHBondContact O-OG1 3.19Å; L484-T487 PolarHBondContact O-N 3.06Å; H485-T487 VanDerWaalsContact C-N 3.28Å; H485-T487 PolarHBondContact O-N 3.19Å; T487-L491 WeakPolarHBondContact O-CB 3.38Å; T487-L491 PolarHBondContact O-N 3.11Å; T487-L496 HydrophobicContact CG2-CD1 4.04Å; T487-L496 HydrophobicContact CG2-CD2 4.45Å; T487-F501 HydrophobicContact CG2-CE1 4.34Å; T487-F501 HydrophobicContact CG2-CZ 4.11Å
488L97.6Very high94.1Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-71.1-40.4178.8-75.8176.8000112.6L484 H485 Q490 L491 I492 I516 V518 V532 L535 I544L484-L488 HydrophobicContact CD1-CD1 3.87Å; L484-L488 HydrophobicContact CD1-CG 3.9Å; L484-L488 HydrophobicContact CD2-CD1 4.34Å; L484-L488 HydrophobicContact CG-CD1 3.83Å; L484-L488 HydrophobicContact CG-CG 4.25Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 WeakPolarHBondContact O-CG 3.42Å; L484-L488 PolarHBondContact O-N 3.13Å; H485-L488 PolarHBondContact O-N 3.31Å; H485-L488 VanDerWaalsContact O-N 3.16Å; L488-Q490 VanDerWaalsContact C-N 3.35Å; L488-Q490 PolarHBondContact O-N 2.64Å; L488-L491 HydrophobicContact CD2-CD2 4.25Å; L488-L491 WeakPolarHBondContact O-CB 3.48Å; L488-L491 PolarHBondContact O-N 3.49Å; L488-L491 VanDerWaalsContact O-N 3.15Å; L488-I492 WeakPolarHBondContact O-CB 3.29Å; L488-I492 WeakPolarHBondContact O-CD1 3.29Å; L488-I492 WeakPolarHBondContact O-CG1 3.42Å; L488-I492 PolarHBondContact O-N 2.94Å; L488-I516 HydrophobicContact CD2-CG2 4.16Å; L488-V518 HydrophobicContact CD1-CG2 4.45Å; L488-V518 HydrophobicContact CD2-CG2 3.73Å; L488-V532 HydrophobicContact CD1-CG2 3.89Å; L488-L535 HydrophobicContact CB-CD1 3.68Å; L488-L535 HydrophobicContact CD1-CD1 3.68Å; L488-L535 HydrophobicContact CG-CD1 4.35Å; L488-I544 HydrophobicContact CD1-CD1 4.23Å; L488-I544 HydrophobicContact CD1-CG2 4.27Å
489D95.1Very high94.4Very high44 Ų4452.2 Ų52.224%0.23527%0.267CS..Hα-helixtrans-60.2-45.8176.7179.774.7000111.1H485 D486 L491 I492 K493H485-D489 WeakPolarHBondContact O-CB 3.31Å; H485-D489 PolarHBondContact O-N 2.99Å; D486-D489 PolarHBondContact O-N 2.71Å; D489-L491 VanDerWaalsContact C-N 3.34Å; D489-L491 PolarHBondContact O-N 3.35Å; D489-I492 PolarHBondContact O-N 3.06Å; D489-K493 WeakPolarHBondContact O-CB 3.46Å; D489-K493 VanDerWaalsContact O-CG 3.31Å; D489-K493 WeakPolarHBondContact O-CG 3.45Å; D489-K493 PolarHBondContact O-N 3.42Å; D489-K493 WeakPolarHBondContact OD1-CE 3.39Å; D489-K493 IonicContact OD1-NZ 2.69Å; D489-K493 PolarHBondContact OD1-NZ 3.29Å; D489-K493 WeakPolarHBondContact OD2-CD 3.17Å; D489-K493 WeakPolarHBondContact OD2-CE 3.24Å; D489-K493 IonicContact OD2-NZ 2.8Å; D489-K493 PolarHBondContact OD2-NZ 2.97Å
490Q95.3Very high94.6Very high71 Ų7151.2 Ų51.233%0.33226%0.262SS..Hα-helixtrans-63-39.8173.7-71.7-18028.200111.9D486 L488 K493 G494 R495 L496D486-Q490 WeakPolarHBondContact O-CB 3.47Å; D486-Q490 VanDerWaalsContact O-CG 3.24Å; D486-Q490 WeakPolarHBondContact O-CG 3.44Å; D486-Q490 PolarHBondContact O-N 3.12Å; L488-Q490 VanDerWaalsContact C-N 3.35Å; L488-Q490 PolarHBondContact O-N 2.64Å; Q490-K493 PolarHBondContact O-N 2.83Å; Q490-G494 PolarHBondContact O-N 3.16Å; Q490-R495 WeakPolarHBondContact O-CA 3.45Å; Q490-R495 PolarHBondContact O-N 3.21Å; Q490-L496 HydrophobicContact CB-CB 4.18Å; Q490-L496 HydrophobicContact CB-CD1 4.03Å; Q490-L496 PolarHBondContact O-N 2.89Å; Q490-L496 VanDerWaalsContact O-N 3.12Å
491L96.2Very high94.8Very high3 Ų350.3 Ų50.32%0.01626%0.258CS..Hα-helixtrans-62.8-50177.7178.861.1000111.7L226 L228 T487 L488 D489 K493 G494 L496 P513 I516L226-L491 HydrophobicContact CD1-CD1 3.99Å; L226-L491 HydrophobicContact CD2-CD1 4.4Å; L226-L491 HydrophobicContact CD2-CD2 3.95Å; L228-L491 HydrophobicContact CD2-CD2 4.18Å; T487-L491 WeakPolarHBondContact O-CB 3.38Å; T487-L491 PolarHBondContact O-N 3.11Å; L488-L491 HydrophobicContact CD2-CD2 4.25Å; L488-L491 WeakPolarHBondContact O-CB 3.48Å; L488-L491 PolarHBondContact O-N 3.49Å; L488-L491 VanDerWaalsContact O-N 3.15Å; D489-L491 VanDerWaalsContact C-N 3.34Å; D489-L491 PolarHBondContact O-N 3.35Å; L491-K493 VanDerWaalsContact C-N 3.27Å; L491-K493 PolarHBondContact O-N 3.19Å; L491-G494 PolarHBondContact O-N 3.4Å; L491-L496 HydrophobicContact CB-CB 4.25Å; L491-L496 HydrophobicContact CB-CD2 4.11Å; L491-L496 HydrophobicContact CD1-CB 4.42Å; L491-L496 HydrophobicContact CD1-CD2 4.04Å; L491-P513 HydrophobicContact CD1-CG 4.14Å; L491-P513 HydrophobicContact CG-CG 3.99Å; L491-I516 HydrophobicContact CD2-CD1 3.97Å; L491-I516 HydrophobicContact CD2-CG1 4.38Å; L491-I516 HydrophobicContact CD2-CG2 3.88Å; L491-I516 HydrophobicContact CG-CD1 4.35Å
492I95.4Very high95.1Very high18 Ų1847.8 Ų47.89%0.09225%0.248CC..Hα-helixtrans-59.9-39.8179.4-70.1164.7000110.7L488 D489 G494 R512 I516 T539 V542 I544L488-I492 WeakPolarHBondContact O-CB 3.29Å; L488-I492 WeakPolarHBondContact O-CD1 3.29Å; L488-I492 WeakPolarHBondContact O-CG1 3.42Å; L488-I492 PolarHBondContact O-N 2.94Å; D489-I492 PolarHBondContact O-N 3.06Å; I492-G494 PolarHBondContact O-N 2.71Å; I492-R512 WeakPolarHBondContact O-CD 3.25Å; I492-I516 HydrophobicContact CG1-CD1 3.93Å; I492-T539 HydrophobicContact CG2-CG2 3.9Å; I492-V542 HydrophobicContact CD1-CG1 4.19Å; I492-V542 HydrophobicContact CG1-CG1 4.1Å; I492-V542 HydrophobicContact CG2-CG2 4.14Å; I492-I544 HydrophobicContact CD1-CD1 4Å
493K93.8Very high95.2Very high90 Ų9049.2 Ų49.239%0.39125%0.254SS..THydrogen-bonded Turntrans-76.2-4.7177.3-71.9170.3179.6158.20113.8D489 Q490 L491 R495D489-K493 WeakPolarHBondContact O-CB 3.46Å; D489-K493 VanDerWaalsContact O-CG 3.31Å; D489-K493 WeakPolarHBondContact O-CG 3.45Å; D489-K493 PolarHBondContact O-N 3.42Å; D489-K493 WeakPolarHBondContact OD1-CE 3.39Å; D489-K493 IonicContact OD1-NZ 2.69Å; D489-K493 PolarHBondContact OD1-NZ 3.29Å; D489-K493 WeakPolarHBondContact OD2-CD 3.17Å; D489-K493 WeakPolarHBondContact OD2-CE 3.24Å; D489-K493 IonicContact OD2-NZ 2.8Å; D489-K493 PolarHBondContact OD2-NZ 2.97Å; Q490-K493 PolarHBondContact O-N 2.83Å; L491-K493 VanDerWaalsContact C-N 3.27Å; L491-K493 PolarHBondContact O-N 3.19Å; K493-R495 VanDerWaalsContact C-N 3.31Å; K493-R495 HydrophobicContact CB-CG 4.2Å
494G93.3Very high95.2Very high59 Ų5949.7 Ų49.761%0.60826%0.256SS*.THydrogen-bonded Turntrans7026.1-176.400000113.7Q490 L491 I492Q490-G494 PolarHBondContact O-N 3.16Å; L491-G494 PolarHBondContact O-N 3.4Å; I492-G494 PolarHBondContact O-N 2.71Å
495R94.3Very high94.9Very high183 Ų18352.3 Ų52.369%0.69129%0.285SS*.  trans-112.9-2.2-176.3-62.8-179.4-175.8178-0.6113.7Q490 K493 K497Q490-R495 WeakPolarHBondContact O-CA 3.45Å; Q490-R495 PolarHBondContact O-N 3.21Å; K493-R495 VanDerWaalsContact C-N 3.31Å; K493-R495 HydrophobicContact CB-CG 4.2Å; R495-K497 PolarHBondContact O-N 3.05Å
496L94.6Very high94.1Very high8 Ų856.2 Ų56.24%0.04232%0.322CS..  trans-66119.3178.1-169.972000110.1R190 L228 T487 Q490 L491 F501R190-L496 PolarHBondContact NH1-O 3.05Å; R190-L496 PolarHBondContact NH2-O 3.17Å; L228-L496 HydrophobicContact CD1-CD2 4.37Å; T487-L496 HydrophobicContact CG2-CD1 4.04Å; T487-L496 HydrophobicContact CG2-CD2 4.45Å; Q490-L496 HydrophobicContact CB-CB 4.18Å; Q490-L496 HydrophobicContact CB-CD1 4.03Å; Q490-L496 PolarHBondContact O-N 2.89Å; Q490-L496 VanDerWaalsContact O-N 3.12Å; L491-L496 HydrophobicContact CB-CB 4.25Å; L491-L496 HydrophobicContact CB-CD2 4.11Å; L491-L496 HydrophobicContact CD1-CB 4.42Å; L491-L496 HydrophobicContact CD1-CD2 4.04Å; L496-F501 HydrophobicContact CD1-CD2 3.49Å; L496-F501 VanDerWaalsContact CD1-CD2 3.49Å; L496-F501 HydrophobicContact CD1-CE2 3.69Å; L496-F501 HydrophobicContact CD1-CG 4.27Å; L496-F501 HydrophobicContact CD2-CB 3.78Å; L496-F501 HydrophobicContact CD2-CD2 3.88Å; L496-F501 HydrophobicContact CD2-CG 3.8Å; L496-F501 HydrophobicContact CG-CB 4.11Å; L496-F501 HydrophobicContact CG-CD2 3.61Å; L496-F501 HydrophobicContact CG-CE2 4.32Å; L496-F501 HydrophobicContact CG-CG 4.04Å
497K93.7Very high93.6Very high122 Ų12257.6 Ų57.653%0.5334%0.336SS..  trans-69.1130.4-169.9-63.5177.5-178172.50112.5R495 S499 Q500 F501R495-K497 PolarHBondContact O-N 3.05Å; K497-S499 PolarHBondContact O-N 3.36Å; K497-Q500 PolarHBondContact O-N 2.84Å; K497-Q500 VanDerWaalsContact O-N 3.14Å; K497-F501 PolarHBondContact O-N 3.3Å
498D93.5Very high93.2Very high85 Ų8560.5 Ų60.546%0.45536%0.357SS..THydrogen-bonded Turntrans-67-24.6175.2-68-9.8000112.9R190 Q500 P502R190-D498 IonicContact CZ-OD1 3.54Å; R190-D498 IonicContact NH2-OD1 2.78Å; R190-D498 PolarHBondContact NH2-OD1 3.26Å; D498-Q500 PolarHBondContact O-N 3.37Å; D498-P502 WeakPolarHBondContact O-CA 3.46Å; D498-P502 WeakPolarHBondContact O-CB 2.92Å; D498-P502 WeakPolarHBondContact O-CD 3.26Å; D498-P502 VanDerWaalsContact O-N 3.16Å
499S93.7Very high92.7Very high87 Ų8761.6 Ų61.661%0.60836%0.363SS*.THydrogen-bonded Turntrans-67.2-18.9174.464.20000113.5L193 K497L193-S499 VanDerWaalsContact CD2-O 3.25Å; L193-S499 WeakPolarHBondContact CD2-O 3.37Å; K497-S499 PolarHBondContact O-N 3.36Å
500Q93.5Very high92.1Very high66 Ų6670.7 Ų70.731%0.30839%0.394SS..THydrogen-bonded Turntrans-110.8-35177.6-70.5176.8-49.100111.5L193 K497 D498L193-Q500 VanDerWaalsContact CB-O 3.31Å; L193-Q500 WeakPolarHBondContact CB-O 3.33Å; L193-Q500 PolarHBondContact N-O 3.07Å; K497-Q500 PolarHBondContact O-N 2.84Å; K497-Q500 VanDerWaalsContact O-N 3.14Å; D498-Q500 PolarHBondContact O-N 3.37Å
501F96.7Very high91.8Very high7 Ų772.2 Ų72.23%0.03140%0.404CS..SBendtrans-131.268.4-177.3-56.9-85.2000111R190 Y191 Q192 L228 L230 T487 L496 K497R190-F501 PolarHBondContact NE-O 3.26Å; R190-F501 PolarHBondContact NH2-O 3Å; Y191-F501 VanDerWaalsContact O-CA 3.27Å; Y191-F501 WeakPolarHBondContact O-CA 3.31Å; Q192-F501 HydrophobicContact CB-CD1 4.12Å; Q192-F501 HydrophobicContact CB-CE1 3.9Å; Q192-F501 HydrophobicContact CG-CE1 3.97Å; L228-F501 HydrophobicContact CD1-CD1 4.13Å; L230-F501 HydrophobicContact CD2-CD1 4.03Å; L230-F501 HydrophobicContact CD2-CE1 3.5Å; L230-F501 VanDerWaalsContact CD2-CE1 3.5Å; L230-F501 HydrophobicContact CD2-CZ 4.49Å; T487-F501 HydrophobicContact CG2-CE1 4.34Å; T487-F501 HydrophobicContact CG2-CZ 4.11Å; L496-F501 HydrophobicContact CD1-CD2 3.49Å; L496-F501 VanDerWaalsContact CD1-CD2 3.49Å; L496-F501 HydrophobicContact CD1-CE2 3.69Å; L496-F501 HydrophobicContact CD1-CG 4.27Å; L496-F501 HydrophobicContact CD2-CB 3.78Å; L496-F501 HydrophobicContact CD2-CD2 3.88Å; L496-F501 HydrophobicContact CD2-CG 3.8Å; L496-F501 HydrophobicContact CG-CB 4.11Å; L496-F501 HydrophobicContact CG-CD2 3.61Å; L496-F501 HydrophobicContact CG-CE2 4.32Å; L496-F501 HydrophobicContact CG-CG 4.04Å; K497-F501 PolarHBondContact O-N 3.3Å
502P96.9Very high91.5Very high24 Ų2480.4 Ų80.416%0.15644%0.435CS..  trans-65.5158.5-177.328.2-36.9000112.2R190 Y191 L193 D498R190-P502 VanDerWaalsContact CA-O 3.31Å; R190-P502 WeakPolarHBondContact CA-O 3.34Å; Y191-P502 HydrophobicContact CE1-CG 4.03Å; Y191-P502 HydrophobicContact CE2-CG 4Å; Y191-P502 PolarHBondContact N-O 3.06Å; Y191-P502 WeakPolarHBondContact O-CD 3.39Å; L193-P502 HydrophobicContact CB-CG 4.31Å; L193-P502 HydrophobicContact CD1-CG 4.2Å; D498-P502 WeakPolarHBondContact O-CA 3.46Å; D498-P502 WeakPolarHBondContact O-CB 2.92Å; D498-P502 WeakPolarHBondContact O-CD 3.26Å; D498-P502 VanDerWaalsContact O-N 3.16Å
503Y97.4Very high91.3Very high31 Ų3179.8 Ų79.812%0.12243%0.432CS..BIsolated β-bridgetrans-74.9145.5165.2-69.9-90.6000110.5M188 I189 R190 L226 G505 S507 L509M188-Y503 HydrophobicContact CB-CD1 4.46Å; M188-Y503 HydrophobicContact CB-CE1 4.48Å; M188-Y503 HydrophobicContact CE-CD1 3.98Å; M188-Y503 HydrophobicContact CE-CE1 4.15Å; I189-Y503 CarbonylContact O-C 3.56Å; I189-Y503 WeakPolarHBondContact O-CA 3.02Å; R190-Y503 HydrophobicContact CG-CD1 3.55Å; R190-Y503 HydrophobicContact CG-CD2 4.33Å; R190-Y503 HydrophobicContact CG-CE1 3.55Å; R190-Y503 HydrophobicContact CG-CE2 4.33Å; R190-Y503 HydrophobicContact CG-CG 3.96Å; L226-Y503 HydrophobicContact CD1-CE1 4.24Å; Y503-G505 PolarHBondContact O-N 3.36Å; Y503-S507 WeakPolarHBondContact CB-O 3.29Å; Y503-L509 HydrophobicContact CE1-CB 4.06Å; Y503-L509 WeakPolarHBondContact OH-CB 3.42Å
504L95.6Very high91.3Very high43 Ų4379.7 Ų79.723%0.22543%0.433CS..SBendtrans-77.9105.7169.7-171.172.5000109.5I189 Y191 A202 E203 K206I189-L504 HydrophobicContact CB-CB 4.18Å; I189-L504 HydrophobicContact CD1-CD2 4.36Å; I189-L504 PolarHBondContact O-N 3.21Å; Y191-L504 HydrophobicContact CE1-CB 4.44Å; Y191-L504 HydrophobicContact CE1-CD1 4.08Å; A202-L504 HydrophobicContact CB-CD2 4.14Å; A202-L504 WeakPolarHBondContact O-CD2 3.43Å; E203-L504 HydrophobicContact CG-CD1 3.94Å; K206-L504 HydrophobicContact CB-CD2 3.48Å; K206-L504 VanDerWaalsContact CB-CD2 3.48Å; K206-L504 HydrophobicContact CG-CD2 3.88Å
505G89.3Confident91.4Very high62 Ų6277.2 Ų77.264%0.63941%0.406SS*.SBendtrans99.7-175.2-177.500000113.2Y503 S507Y503-G505 PolarHBondContact O-N 3.36Å; G505-S507 VanDerWaalsContact C-N 3.32Å; G505-S507 PolarHBondContact O-N 3.27Å
506A80.6Confident91.6Very high112 Ų11268.5 Ų68.593%0.92637%0.373SS*.SBendtrans-81.3-7.6-172.700000114.6
507S83.9Confident91.8Very high85 Ų8568.3 Ų68.359%0.59437%0.372SS*.  trans-89.2131.6-177.3-53.70000111.3M188 Y503 G505M188-S507 VanDerWaalsContact CE-O 3.28Å; M188-S507 WeakPolarHBondContact CE-O 3.05Å; Y503-S507 WeakPolarHBondContact CB-O 3.29Å; G505-S507 VanDerWaalsContact C-N 3.32Å; G505-S507 PolarHBondContact O-N 3.27Å
508S86.4Confident92.1Very high71 Ų7162.5 Ų62.550%0.49735%0.347SS..  trans-117.9147.9171.658.80000110.9
509L87.9Confident92.3Very high23 Ų2358.5 Ų58.512%0.1233%0.325CS..  trans-75.9127.8174.7-167.870.2000109.1M188 V223 P224 L226 Y503 D511 P513M188-L509 HydrophobicContact SD-CB 4.05Å; M188-L509 HydrophobicContact SD-CD1 3.86Å; V223-L509 HydrophobicContact CG1-CD1 4.12Å; V223-L509 HydrophobicContact CG1-CD2 4.21Å; P224-L509 HydrophobicContact CB-CD1 4.3Å; P224-L509 HydrophobicContact CG-CD1 4.12Å; L226-L509 HydrophobicContact CD1-CD2 4.42Å; Y503-L509 HydrophobicContact CE1-CB 4.06Å; Y503-L509 WeakPolarHBondContact OH-CB 3.42Å; L509-D511 WeakPolarHBondContact CD2-O 3.43Å; L509-D511 VanDerWaalsContact CG-O 3.27Å; L509-D511 WeakPolarHBondContact CG-O 3.44Å; L509-P513 HydrophobicContact CD2-CB 3.87Å; L509-P513 HydrophobicContact CD2-CG 4.46Å
510R83.1Confident92.6Very high235 Ų23554.8 Ų54.889%0.88730%0.299SS*.  trans-86.3-36177-64.8-176.5-179-177.4-0112.2
511D88.2Confident92.8Very high102 Ų10251.7 Ų51.755%0.54528%0.284SS..SBendtrans-89.9166.3-179-59.8-65.3000112.4V223 L509V223-D511 HydrophobicContact CG1-CB 4.38Å; V223-D511 HydrophobicContact CG2-CB 3.94Å; L509-D511 WeakPolarHBondContact CD2-O 3.43Å; L509-D511 VanDerWaalsContact CG-O 3.27Å; L509-D511 WeakPolarHBondContact CG-O 3.44Å
512R89.1Confident92.8Very high175 Ų17551.4 Ų51.466%0.6628%0.283SS*.PPolyproline II helixtrans-71.8132.7173.9-66.7-179.5-176.3173.74.8109.9V223 I492 Q514V223-R512 WeakPolarHBondContact CG1-O 3.47Å; I492-R512 WeakPolarHBondContact O-CD 3.25Å; R512-Q514 PolarHBondContact O-N 3.07Å
513P91.1Very high92.8Very high6 Ų650.2 Ų50.24%0.03928%0.275CS..PPolyproline II helixtrans-66.3132.4-178.927.1-33.2000111L226 L491 L509 I516L226-P513 HydrophobicContact CB-CB 4.22Å; L226-P513 HydrophobicContact CD1-CB 4.31Å; L491-P513 HydrophobicContact CD1-CG 4.14Å; L491-P513 HydrophobicContact CG-CG 3.99Å; L509-P513 HydrophobicContact CD2-CB 3.87Å; L509-P513 HydrophobicContact CD2-CG 4.46Å; P513-I516 HydrophobicContact CB-CD1 4.24Å; P513-I516 HydrophobicContact CB-CG1 3.93Å; P513-I516 HydrophobicContact CG-CD1 4.01Å; P513-I516 HydrophobicContact CG-CG1 4.23Å
514Q93.7Very high92.8Very high87 Ų8748.8 Ų48.841%0.40727%0.27SS..SBendtrans-97.2-42176.5-63.8178.514.800111.8V223 R512 V542 R543V223-Q514 HydrophobicContact CB-CG 4.36Å; V223-Q514 HydrophobicContact CG2-CG 4.38Å; R512-Q514 PolarHBondContact O-N 3.07Å; Q514-V542 CarbonylContact O-C 3.46Å; Q514-V542 WeakPolarHBondContact O-CA 3.41Å; Q514-R543 PolarHBondContact O-N 3.22Å
515D97.2Very high93Very high8 Ų847.1 Ų47.14%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-107.6115.2177.1-77.2-36.1000109.6M1 K185 P225 L226 R543M1-D515 WeakPolarHBondContact CG-OD1 3.41Å; K185-D515 WeakPolarHBondContact CE-OD2 3.44Å; K185-D515 IonicContact NZ-OD2 3.12Å; K185-D515 PolarHBondContact NZ-OD2 3.36Å; P225-D515 CarbonylContact C-O 3.58Å; P225-D515 WeakPolarHBondContact CA-O 3.37Å; P225-D515 HydrophobicContact CB-CB 3.82Å; L226-D515 PolarHBondContact N-O 3.3Å; D515-R543 IonicContact OD1-CZ 3.82Å; D515-R543 IonicContact OD1-NE 2.93Å; D515-R543 PolarHBondContact OD1-NE 3.23Å; D515-R543 IonicContact OD1-NH2 2.78Å; D515-R543 PolarHBondContact OD1-NH2 3.32Å; D515-R543 IonicContact OD2-CZ 2.71Å; D515-R543 IonicContact OD2-NH2 2.9Å; D515-R543 PolarHBondContact OD2-NH2 3.23Å
516I98.5Very high93.4Very high0 Ų044.8 Ų44.80%023%0.233CC..EExtended strand (participates in β ladder)trans-120.4127.5-177.4-55.8168.9000108.9M1 L226 L488 L491 I492 P513 V518 V542 R543 I544 V545M1-I516 WeakPolarHBondContact CE-O 3.43Å; L226-I516 CarbonylContact O-C 3.5Å; L226-I516 WeakPolarHBondContact O-CA 3.13Å; L488-I516 HydrophobicContact CD2-CG2 4.16Å; L491-I516 HydrophobicContact CD2-CD1 3.97Å; L491-I516 HydrophobicContact CD2-CG1 4.38Å; L491-I516 HydrophobicContact CD2-CG2 3.88Å; L491-I516 HydrophobicContact CG-CD1 4.35Å; I492-I516 HydrophobicContact CG1-CD1 3.93Å; P513-I516 HydrophobicContact CB-CD1 4.24Å; P513-I516 HydrophobicContact CB-CG1 3.93Å; P513-I516 HydrophobicContact CG-CD1 4.01Å; P513-I516 HydrophobicContact CG-CG1 4.23Å; I516-V518 HydrophobicContact CG2-CG2 4.12Å; I516-V542 HydrophobicContact CD1-CG1 3.91Å; I516-R543 PolarHBondContact N-O 3.35Å; I516-I544 HydrophobicContact CB-CG1 4.28Å; I516-I544 HydrophobicContact CB-CG2 4.41Å; I516-I544 HydrophobicContact CD1-CG1 4.37Å; I516-I544 HydrophobicContact CG2-CG2 4.44Å; I516-I544 CarbonylContact O-C 3.53Å; I516-I544 VanDerWaalsContact O-CA 3.26Å; I516-I544 WeakPolarHBondContact O-CA 3.4Å; I516-V545 PolarHBondContact O-N 2.84Å
517M98.7Very high94.3Very high4 Ų440.9 Ų40.92%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-109.9127.5166.4-176.2177.7-65.300108.2F137 L176 V179 L180 L183 L226 L227 L228 V545F137-M517 HydrophobicContact CE1-CG 4.47Å; L176-M517 HydrophobicContact CD1-SD 3.64Å; V179-M517 HydrophobicContact CB-CE 4.29Å; V179-M517 HydrophobicContact CG1-CE 3.5Å; V179-M517 HydrophobicContact CG1-SD 4.11Å; L180-M517 HydrophobicContact CD2-CE 3.58Å; L180-M517 HydrophobicContact CD2-SD 3.66Å; L180-M517 HydrophobicContact CG-CE 4.31Å; L180-M517 HydrophobicContact CG-SD 4.2Å; L183-M517 HydrophobicContact CD1-CE 3.68Å; L226-M517 PolarHBondContact O-N 3.43Å; L227-M517 CarbonylContact C-O 3.59Å; L227-M517 WeakPolarHBondContact CA-O 3.27Å; L227-M517 HydrophobicContact CD1-CB 4.06Å; L227-M517 HydrophobicContact CD1-CG 3.87Å; L227-M517 HydrophobicContact CD1-SD 4.03Å; L228-M517 PolarHBondContact N-O 2.98Å; M517-V545 WeakPolarHBondContact CA-O 3.37Å
518V98.8Very high95Very high0 Ų037 Ų370%017%0.168CC..EExtended strand (participates in β ladder)trans-108131.6173.2-1760000108.4L228 L230 L484 L488 I516 I544 V545 L546 G547L228-V518 CarbonylContact O-C 3.51Å; L228-V518 WeakPolarHBondContact O-CA 3.35Å; L230-V518 HydrophobicContact CD1-CG1 3.79Å; L230-V518 HydrophobicContact CG-CG1 4.33Å; L484-V518 HydrophobicContact CD1-CG1 3.92Å; L484-V518 HydrophobicContact CD1-CG2 4.49Å; L488-V518 HydrophobicContact CD1-CG2 4.45Å; L488-V518 HydrophobicContact CD2-CG2 3.73Å; I516-V518 HydrophobicContact CG2-CG2 4.12Å; V518-I544 HydrophobicContact CG2-CG2 4.28Å; V518-V545 PolarHBondContact N-O 3.28Å; V518-L546 HydrophobicContact CB-CD1 4Å; V518-L546 HydrophobicContact CG1-CD1 3.94Å; V518-G547 PolarHBondContact O-N 3.2Å
519F98.9Very high95.5Very high0 Ų033.6 Ų33.60%015%0.145CC..EExtended strand (participates in β ladder)trans-121.6118.1169.9-172.2-97.3000110.6F137 L139 C172 L176 L201 L227 L228 I229 L230 I521 G547F137-F519 HydrophobicContact CE2-CD2 4.05Å; F137-F519 HydrophobicContact CE2-CE2 4.2Å; F137-F519 HydrophobicContact CZ-CD2 4Å; L139-F519 HydrophobicContact CD1-CE2 3.76Å; L139-F519 HydrophobicContact CD1-CZ 3.76Å; L139-F519 HydrophobicContact CG-CE2 4.06Å; L139-F519 HydrophobicContact CG-CZ 4.44Å; C172-F519 HydrophobicContact CB-CZ 4.45Å; L176-F519 HydrophobicContact CD1-CB 4.06Å; L176-F519 HydrophobicContact CD1-CD2 3.93Å; L176-F519 HydrophobicContact CD1-CG 4.13Å; L176-F519 HydrophobicContact CD2-CB 4.03Å; L176-F519 HydrophobicContact CD2-CD1 4.32Å; L176-F519 HydrophobicContact CD2-CD2 4.45Å; L176-F519 HydrophobicContact CD2-CG 4Å; L201-F519 HydrophobicContact CD2-CD1 3.51Å; L201-F519 HydrophobicContact CD2-CE1 3.53Å; L227-F519 HydrophobicContact CD1-CB 4.37Å; L228-F519 PolarHBondContact O-N 2.91Å; I229-F519 WeakPolarHBondContact CA-O 3.24Å; L230-F519 PolarHBondContact N-O 3.3Å; F519-I521 HydrophobicContact CD1-CG1 4.18Å; F519-I521 HydrophobicContact CE1-CG1 4.07Å; F519-G547 CarbonylContact C-O 3.41Å; F519-G547 WeakPolarHBondContact CA-O 3.4Å
520L98.7Very high96Very high10 Ų1033.4 Ų33.45%0.05214%0.144CC..EExtended strand (participates in β ladder)trans-100.8109.4-180-162.762.3000110.7L230 R232 G523 E528 G547 G548 S549L230-L520 HydrophobicContact CB-CD1 3.35Å; L230-L520 HydrophobicContact CD1-CD1 4.4Å; R232-L520 VanDerWaalsContact CZ-CD2 3.49Å; L520-G523 VanDerWaalsContact CD2-O 3.3Å; L520-G523 WeakPolarHBondContact CD2-O 3.4Å; L520-G523 PolarHBondContact O-N 3.47Å; L520-G523 VanDerWaalsContact O-N 3.14Å; L520-E528 WeakPolarHBondContact CD2-OE2 3.46Å; L520-G547 PolarHBondContact N-O 3.13Å; L520-G548 WeakPolarHBondContact O-CA 3.42Å; L520-S549 PolarHBondContact O-N 3.17Å
521I98.3Very high96.7Very high1 Ų122.6 Ų22.61%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-65.7139175.2-61.7166.5000108.8V144 W164 M197 A198 L201 I229 L230 R232 F519 G523V144-I521 HydrophobicContact CG2-CG2 4.3Å; W164-I521 HydrophobicContact CH2-CD1 4.27Å; W164-I521 HydrophobicContact CH2-CG1 4.08Å; W164-I521 HydrophobicContact CH2-CG2 3.89Å; W164-I521 HydrophobicContact CZ2-CD1 3.71Å; W164-I521 HydrophobicContact CZ2-CG1 4.03Å; W164-I521 HydrophobicContact CZ2-CG2 4.07Å; M197-I521 HydrophobicContact CB-CD1 4.25Å; M197-I521 HydrophobicContact CE-CG2 3.9Å; A198-I521 VanDerWaalsContact CA-CD1 3.44Å; A198-I521 HydrophobicContact CB-CD1 4Å; L201-I521 HydrophobicContact CB-CD1 4.49Å; L201-I521 HydrophobicContact CD2-CD1 4.12Å; L201-I521 HydrophobicContact CD2-CG1 4.03Å; I229-I521 HydrophobicContact CG2-CD1 3.69Å; I229-I521 HydrophobicContact CG2-CG1 4.15Å; L230-I521 WeakPolarHBondContact O-CB 3.29Å; L230-I521 WeakPolarHBondContact O-CG1 3.46Å; L230-I521 PolarHBondContact O-N 3.22Å; R232-I521 WeakPolarHBondContact CB-O 3.46Å; R232-I521 PolarHBondContact N-O 3.2Å; F519-I521 HydrophobicContact CD1-CG1 4.18Å; F519-I521 HydrophobicContact CE1-CG1 4.07Å; I521-G523 PolarHBondContact O-N 3.41Å
522S96Very high97.2Very high0 Ų017.8 Ų17.80%08%0.078CC..THydrogen-bonded Turntrans60.823.5-170.8-70.90000114V144 Y443 S549 H552 E560V144-S522 VanDerWaalsContact CG2-OG 3.32Å; V144-S522 WeakPolarHBondContact CG2-OG 3.49Å; Y443-S522 WeakPolarHBondContact OH-CB 3.22Å; S522-S549 VanDerWaalsContact CA-OG 3.28Å; S522-S549 WeakPolarHBondContact CA-OG 3.41Å; S522-S549 PolarHBondContact N-OG 2.96Å; S522-H552 PolarHBondContact O-CD2 3.46Å; S522-H552 PolarHBondContact O-NE2 3.27Å; S522-E560 PolarHBondContact OG-OE1 3.25Å
523G97.3Very high97.5Very high0 Ų012.8 Ų12.80%06%0.06CC..  trans95.6150.4155.900000116.4R232 L520 I521 S549 A550R232-G523 PolarHBondContact NE-O 3.2Å; R232-G523 PolarHBondContact NH2-O 3.15Å; L520-G523 VanDerWaalsContact CD2-O 3.3Å; L520-G523 WeakPolarHBondContact CD2-O 3.4Å; L520-G523 PolarHBondContact O-N 3.47Å; L520-G523 VanDerWaalsContact O-N 3.14Å; I521-G523 PolarHBondContact O-N 3.41Å; G523-S549 PolarHBondContact N-OG 3.29Å; G523-A550 CarbonylContact C-O 3.57Å; G523-A550 WeakPolarHBondContact CA-O 3.37Å
524A98.4Very high97.8Very high1 Ų115.7 Ų15.71%0.0088%0.075CC..EExtended strand (participates in β ladder)trans-93.4172.2176.800000112.2E528 L546 A550 I551 H552A524-E528 VanDerWaalsContact CA-OE2 3.3Å; A524-E528 WeakPolarHBondContact CA-OE2 3.43Å; A524-L546 HydrophobicContact CB-CD1 4.41Å; A524-L546 HydrophobicContact CB-CD2 4.09Å; A524-L546 HydrophobicContact CB-CG 4.19Å; A524-A550 PolarHBondContact N-O 3.07Å; A524-I551 CarbonylContact O-C 3.58Å; A524-I551 VanDerWaalsContact O-CA 3.3Å; A524-I551 WeakPolarHBondContact O-CA 3.25Å; A524-H552 PolarHBondContact O-N 3.25Å
525T98.7Very high97.9Very high7 Ų712.2 Ų12.24%0.0436%0.059CC..EExtended strand (participates in β ladder)trans-122.3165.3170.369.30000111.4T238 P239 E527 E528 A529T238-T525 HydrophobicContact CG2-CG2 4.06Å; T238-T525 WeakPolarHBondContact CG2-OG1 3.48Å; P239-T525 HydrophobicContact CB-CG2 3.81Å; T525-E527 VanDerWaalsContact C-N 3.25Å; T525-E527 PolarHBondContact O-N 2.86Å; T525-E527 PolarHBondContact OG1-N 3.26Å; T525-E528 PolarHBondContact N-OE2 2.72Å; T525-E528 PolarHBondContact O-N 2.86Å; T525-E528 PolarHBondContact OG1-N 2.85Å; T525-A529 PolarHBondContact O-N 3.24Å; T525-A529 VanDerWaalsContact O-N 3.09Å
526Y98.4Very high97.9Very high14 Ų1413.9 Ų13.96%0.0557%0.068CC..Hα-helixtrans-71.2-20.3172-75.8-62.4000113.4V132 Q247 H251 L256 A529 L530 I551V132-Y526 HydrophobicContact CG1-CE1 3.96Å; V132-Y526 WeakPolarHBondContact CG1-OH 3.39Å; Q247-Y526 HydrophobicContact CG-CD1 3.56Å; Q247-Y526 HydrophobicContact CG-CD2 4.25Å; Q247-Y526 HydrophobicContact CG-CE1 3.64Å; Q247-Y526 HydrophobicContact CG-CE2 4.31Å; Q247-Y526 HydrophobicContact CG-CG 3.88Å; Q247-Y526 VanDerWaalsContact NE2-CE1 3.29Å; H251-Y526 HydrophobicContact CB-CD2 3.51Å; H251-Y526 HydrophobicContact CB-CE2 3.52Å; H251-Y526 AromaticContact CD2-CD2 3.7Å; H251-Y526 AromaticContact CD2-CE2 3.74Å; H251-Y526 AromaticContact CG-CD2 3.66Å; H251-Y526 AromaticContact CG-CE2 3.43Å; H251-Y526 VanDerWaalsContact CG-CE2 3.43Å; H251-Y526 AromaticContact ND1-CE2 3.85Å; L256-Y526 HydrophobicContact CD2-CE2 4.21Å; Y526-A529 HydrophobicContact CD1-CB 4.36Å; Y526-A529 WeakPolarHBondContact O-CB 3.36Å; Y526-A529 PolarHBondContact O-N 3.46Å; Y526-L530 PolarHBondContact O-N 3.28Å; Y526-I551 HydrophobicContact CD1-CG2 4.38Å; Y526-I551 HydrophobicContact CD2-CG2 3.79Å; Y526-I551 HydrophobicContact CE1-CD1 4.1Å; Y526-I551 HydrophobicContact CE1-CG2 4.23Å; Y526-I551 HydrophobicContact CE2-CG2 3.62Å; Y526-I551 HydrophobicContact CG-CG2 4.17Å
527E98.1Very high97.7Very high30 Ų3021.2 Ų21.214%0.1410%0.095CC..Hα-helixtrans-69.9-38.2171.9-17453.6-153.500111.6T238 Q243 P482 T525 L530 T531T238-E527 HydrophobicContact CG2-CB 4.23Å; T238-E527 HydrophobicContact CG2-CG 4.44Å; Q243-E527 PolarHBondContact OE1-OE2 2.94Å; P482-E527 HydrophobicContact CG-CB 4.42Å; P482-E527 HydrophobicContact CG-CG 3.64Å; T525-E527 VanDerWaalsContact C-N 3.25Å; T525-E527 PolarHBondContact O-N 2.86Å; T525-E527 PolarHBondContact OG1-N 3.26Å; E527-L530 WeakPolarHBondContact O-CB 3.32Å; E527-L530 PolarHBondContact O-N 3.2Å; E527-T531 PolarHBondContact O-N 3.03Å; E527-T531 PolarHBondContact O-OG1 2.91Å; E527-T531 VanDerWaalsContact O-OG1 3.07Å
528E98.6Very high97.6Very high3 Ų326.3 Ų26.31%0.01412%0.123CC..Hα-helixtrans-70.1-34.9171.7-72.8163.4169.400112.1R232 T238 P482 L484 L520 A524 T525 L530 T531 V532 L546R232-E528 IonicContact CZ-OE1 2.76Å; R232-E528 IonicContact CZ-OE2 2.83Å; R232-E528 IonicContact NH1-OE1 3.83Å; R232-E528 PolarHBondContact NH1-OE1 3.17Å; R232-E528 IonicContact NH2-OE1 2.7Å; R232-E528 PolarHBondContact NH2-OE1 3.5Å; R232-E528 IonicContact NH2-OE2 3.8Å; R232-E528 PolarHBondContact NH2-OE2 3.05Å; T238-E528 HydrophobicContact CG2-CG 4.2Å; P482-E528 HydrophobicContact CB-CG 3.87Å; P482-E528 HydrophobicContact CG-CG 4.16Å; L484-E528 HydrophobicContact CB-CG 4.27Å; L484-E528 HydrophobicContact CD2-CB 3.76Å; L484-E528 HydrophobicContact CD2-CG 3.98Å; L520-E528 WeakPolarHBondContact CD2-OE2 3.46Å; A524-E528 VanDerWaalsContact CA-OE2 3.3Å; A524-E528 WeakPolarHBondContact CA-OE2 3.43Å; T525-E528 PolarHBondContact N-OE2 2.72Å; T525-E528 PolarHBondContact O-N 2.86Å; T525-E528 PolarHBondContact OG1-N 2.85Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-T531 WeakPolarHBondContact O-CB 3.24Å; E528-T531 PolarHBondContact O-N 3.17Å; E528-V532 PolarHBondContact O-N 3.31Å; E528-L546 HydrophobicContact CB-CD2 3.75Å
529A98.3Very high97.4Very high0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-59.9-44.6170.900000111.6H135 V136 T525 Y526 T531 V532 Y533H135-A529 PolarHBondContact NE2-O 2.99Å; V136-A529 HydrophobicContact CG2-CB 3.59Å; T525-A529 PolarHBondContact O-N 3.24Å; T525-A529 VanDerWaalsContact O-N 3.09Å; Y526-A529 HydrophobicContact CD1-CB 4.36Å; Y526-A529 WeakPolarHBondContact O-CB 3.36Å; Y526-A529 PolarHBondContact O-N 3.46Å; A529-T531 VanDerWaalsContact C-N 3.33Å; A529-T531 PolarHBondContact O-N 3.5Å; A529-V532 PolarHBondContact O-N 3.43Å; A529-Y533 WeakPolarHBondContact O-CB 3.48Å; A529-Y533 PolarHBondContact O-N 2.9Å
530L97.6Very high97Very high19 Ų1933.8 Ų33.810%0.09917%0.171CC..Hα-helixtrans-59.1-43.8173.1171.364.7000111.7T245 Y291 Y526 E527 E528 V532 Y533 N534T245-L530 HydrophobicContact CG2-CD2 3.64Å; Y291-L530 HydrophobicContact CD1-CB 3.95Å; Y291-L530 HydrophobicContact CD1-CD1 3.59Å; Y291-L530 HydrophobicContact CD1-CG 4.36Å; Y291-L530 HydrophobicContact CE1-CB 4.14Å; Y291-L530 HydrophobicContact CE1-CD1 4.44Å; Y291-L530 HydrophobicContact CG-CD1 3.7Å; Y526-L530 PolarHBondContact O-N 3.28Å; E527-L530 WeakPolarHBondContact O-CB 3.32Å; E527-L530 PolarHBondContact O-N 3.2Å; E528-L530 VanDerWaalsContact C-N 3.34Å; L530-V532 VanDerWaalsContact C-N 3.33Å; L530-V532 PolarHBondContact O-N 3.09Å; L530-Y533 WeakPolarHBondContact O-CB 3.44Å; L530-Y533 PolarHBondContact O-N 3.4Å; L530-N534 PolarHBondContact O-N 3.01Å; L530-N534 PolarHBondContact O-ND2 3.34Å
531T97.7Very high96.7Very high8 Ų836.2 Ų36.25%0.04920%0.198CC..Hα-helixtrans-56.1-48.3175.6-64.40000111.1H485 E527 E528 A529 N534 L535H485-T531 HydrophobicContact CB-CG2 3.66Å; E527-T531 PolarHBondContact O-N 3.03Å; E527-T531 PolarHBondContact O-OG1 2.91Å; E527-T531 VanDerWaalsContact O-OG1 3.07Å; E528-T531 WeakPolarHBondContact O-CB 3.24Å; E528-T531 PolarHBondContact O-N 3.17Å; A529-T531 VanDerWaalsContact C-N 3.33Å; A529-T531 PolarHBondContact O-N 3.5Å; T531-N534 PolarHBondContact O-N 3.09Å; T531-L535 HydrophobicContact CG2-CD1 4.18Å; T531-L535 WeakPolarHBondContact O-CG 3.36Å; T531-L535 PolarHBondContact O-N 3.44Å
532V98.3Very high96.6Very high0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-66-39.8177.8168.40000112.3H135 L484 L488 E528 A529 L530 N534 L535 N536 I544 L546H135-V532 HydrophobicContact CB-CG1 4.48Å; L484-V532 HydrophobicContact CD2-CG2 4.09Å; L488-V532 HydrophobicContact CD1-CG2 3.89Å; E528-V532 PolarHBondContact O-N 3.31Å; A529-V532 PolarHBondContact O-N 3.43Å; L530-V532 VanDerWaalsContact C-N 3.33Å; L530-V532 PolarHBondContact O-N 3.09Å; V532-N534 PolarHBondContact O-N 3.39Å; V532-L535 PolarHBondContact O-N 3.48Å; V532-N536 WeakPolarHBondContact O-CB 3.46Å; V532-N536 PolarHBondContact O-N 2.57Å; V532-N536 PolarHBondContact O-ND2 3.28Å; V532-I544 HydrophobicContact CG1-CB 3.86Å; V532-I544 HydrophobicContact CG1-CG2 3.74Å; V532-I544 HydrophobicContact CG2-CG2 4.1Å; V532-L546 HydrophobicContact CB-CB 4.49Å; V532-L546 HydrophobicContact CG1-CB 4.47Å; V532-L546 HydrophobicContact CG2-CB 4.07Å; V532-L546 HydrophobicContact CG2-CD2 4.34Å
533Y96.9Very high96.7Very high71 Ų7142.7 Ų42.728%0.27822%0.224SC..Hα-helixtrans-57.5-47.7173.8174.5-98.3000111.8H135 Y291 A529 L530 N536 R537H135-Y533 AromaticContact CE1-CD2 3.9Å; Y291-Y533 AromaticContact CD2-CD1 3.48Å; Y291-Y533 HydrophobicContact CD2-CD1 3.48Å; Y291-Y533 VanDerWaalsContact CD2-CD1 3.48Å; Y291-Y533 AromaticContact CD2-CD2 3.76Å; Y291-Y533 HydrophobicContact CD2-CD2 3.76Å; Y291-Y533 AromaticContact CD2-CE1 3.72Å; Y291-Y533 HydrophobicContact CD2-CE1 3.72Å; Y291-Y533 AromaticContact CD2-CE2 3.97Å; Y291-Y533 HydrophobicContact CD2-CE2 3.97Å; Y291-Y533 AromaticContact CD2-CG 3.5Å; Y291-Y533 HydrophobicContact CD2-CG 3.5Å; Y291-Y533 AromaticContact CD2-CZ 3.95Å; Y291-Y533 AromaticContact CE2-CD1 3.89Å; Y291-Y533 HydrophobicContact CE2-CD1 3.89Å; Y291-Y533 AromaticContact CE2-CD2 3.41Å; Y291-Y533 HydrophobicContact CE2-CD2 3.41Å; Y291-Y533 VanDerWaalsContact CE2-CD2 3.41Å; Y291-Y533 HydrophobicContact CE2-CE1 4.38Å; Y291-Y533 AromaticContact CE2-CE2 3.95Å; Y291-Y533 HydrophobicContact CE2-CE2 3.95Å; Y291-Y533 AromaticContact CE2-CG 3.37Å; Y291-Y533 HydrophobicContact CE2-CG 3.37Å; Y291-Y533 HydrophobicContact CG-CD1 4.14Å; Y291-Y533 HydrophobicContact CG-CE1 4.48Å; Y291-Y533 HydrophobicContact CG-CG 4.41Å; A529-Y533 WeakPolarHBondContact O-CB 3.48Å; A529-Y533 PolarHBondContact O-N 2.9Å; L530-Y533 WeakPolarHBondContact O-CB 3.44Å; L530-Y533 PolarHBondContact O-N 3.4Å; Y533-N536 PolarHBondContact O-N 2.91Å; Y533-R537 VanDerWaalsContact CZ-CD 3.5Å; Y533-R537 PolarHBondContact O-N 3.23Å; Y533-R537 VanDerWaalsContact O-N 3.1Å; Y533-R537 WeakPolarHBondContact OH-CD 3.41Å; Y533-R537 PolarHBondContact OH-NH1 2.91Å; Y533-R537 VanDerWaalsContact OH-NH1 3.16Å
534N96.4Very high96.8Very high66 Ų6642.8 Ų42.835%0.35323%0.225SC..Hα-helixtrans-65.2-43.2179.9-72.6-26.8000111.8L530 T531 V532 N536 R537 N538L530-N534 PolarHBondContact O-N 3.01Å; L530-N534 PolarHBondContact O-ND2 3.34Å; T531-N534 PolarHBondContact O-N 3.09Å; V532-N534 PolarHBondContact O-N 3.39Å; N534-N536 PolarHBondContact O-N 3.17Å; N534-R537 PolarHBondContact O-N 3.06Å; N534-N538 VanDerWaalsContact O-CB 3.29Å; N534-N538 WeakPolarHBondContact O-CB 3.41Å; N534-N538 VanDerWaalsContact O-CG 3.25Å; N534-N538 PolarHBondContact O-N 2.84Å; N534-N538 PolarHBondContact O-ND2 3.46Å
535L96.6Very high96.8Very high14 Ų1442.8 Ų42.87%0.07323%0.225CC..Hα-helixtrans-62-42.3176.5-73.4171.7000112.1L488 T531 V532 R537 N538 T539 I544L488-L535 HydrophobicContact CB-CD1 3.68Å; L488-L535 HydrophobicContact CD1-CD1 3.68Å; L488-L535 HydrophobicContact CG-CD1 4.35Å; T531-L535 HydrophobicContact CG2-CD1 4.18Å; T531-L535 WeakPolarHBondContact O-CG 3.36Å; T531-L535 PolarHBondContact O-N 3.44Å; V532-L535 PolarHBondContact O-N 3.48Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.12Å; L535-N538 PolarHBondContact O-N 3.39Å; L535-T539 WeakPolarHBondContact O-CB 3.31Å; L535-T539 PolarHBondContact O-N 2.95Å; L535-T539 PolarHBondContact O-OG1 3.45Å; L535-I544 HydrophobicContact CB-CD1 3.89Å; L535-I544 HydrophobicContact CD1-CD1 4.21Å
536N96.6Very high96.8Very high44 Ų4442.5 Ų42.524%0.23522%0.223CC..Hα-helixtrans-61.2-37.7175.7-82.2-34.2000112.9V532 Y533 N534 R543 I544V532-N536 WeakPolarHBondContact O-CB 3.46Å; V532-N536 PolarHBondContact O-N 2.57Å; V532-N536 PolarHBondContact O-ND2 3.28Å; Y533-N536 PolarHBondContact O-N 2.91Å; N534-N536 PolarHBondContact O-N 3.17Å; N536-R543 WeakPolarHBondContact OD1-CA 3.37Å; N536-I544 PolarHBondContact ND2-O 3.31Å; N536-I544 PolarHBondContact OD1-N 3.39Å
537R95.2Very high96.8Very high153 Ų15341.8 Ų41.858%0.57722%0.22SC*.Hα-helixtrans-74.9-38.5177.2-92.9-177.665.5177.1-2.3113.1Y533 N534 L535Y533-R537 VanDerWaalsContact CZ-CD 3.5Å; Y533-R537 PolarHBondContact O-N 3.23Å; Y533-R537 VanDerWaalsContact O-N 3.1Å; Y533-R537 WeakPolarHBondContact OH-CD 3.41Å; Y533-R537 PolarHBondContact OH-NH1 2.91Å; Y533-R537 VanDerWaalsContact OH-NH1 3.16Å; N534-R537 PolarHBondContact O-N 3.06Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.12Å
538N94.9Very high96.8Very high111 Ų11140.4 Ų40.459%0.59421%0.214SC*.Hα-helixtrans-93.9-7.3-169.5-63.5-23.2000113.3N534 L535 P540N534-N538 VanDerWaalsContact O-CB 3.29Å; N534-N538 WeakPolarHBondContact O-CB 3.41Å; N534-N538 VanDerWaalsContact O-CG 3.25Å; N534-N538 PolarHBondContact O-N 2.84Å; N534-N538 PolarHBondContact O-ND2 3.46Å; L535-N538 PolarHBondContact O-N 3.39Å; N538-P540 WeakPolarHBondContact O-CD 3.3Å
539T94.5Very high96.8Very high34 Ų3440.3 Ų40.321%0.20921%0.213CC..SBendtrans-122.182.3-178.2-43.40000111I492 L535 G541 V542I492-T539 HydrophobicContact CG2-CG2 3.9Å; L535-T539 WeakPolarHBondContact O-CB 3.31Å; L535-T539 PolarHBondContact O-N 2.95Å; L535-T539 PolarHBondContact O-OG1 3.45Å; T539-G541 PolarHBondContact O-N 2.89Å; T539-V542 HydrophobicContact CG2-CB 3.92Å; T539-V542 HydrophobicContact CG2-CG2 3.6Å; T539-V542 PolarHBondContact O-N 2.63Å; T539-V542 VanDerWaalsContact O-N 3.15Å
540P92.4Very high96.7Very high124 Ų12440.4 Ų40.481%0.80522%0.215SC*.THydrogen-bonded Turntrans-54.1135.3177.2-2534000112N538 V542N538-P540 WeakPolarHBondContact O-CD 3.3Å; P540-V542 VanDerWaalsContact C-N 3.34Å
541G92Very high96.8Very high60 Ų6040.5 Ų40.562%0.61922%0.215SC*.THydrogen-bonded Turntrans87.6-6.3-179.100000115.1T539T539-G541 PolarHBondContact O-N 2.89Å
542V96.3Very high96.8Very high19 Ų1940.3 Ų40.312%0.11521%0.213CC..  trans-109.2136.4173.2-177.80000110I492 Q514 I516 T539 P540 I544I492-V542 HydrophobicContact CD1-CG1 4.19Å; I492-V542 HydrophobicContact CG1-CG1 4.1Å; I492-V542 HydrophobicContact CG2-CG2 4.14Å; Q514-V542 CarbonylContact O-C 3.46Å; Q514-V542 WeakPolarHBondContact O-CA 3.41Å; I516-V542 HydrophobicContact CD1-CG1 3.91Å; T539-V542 HydrophobicContact CG2-CB 3.92Å; T539-V542 HydrophobicContact CG2-CG2 3.6Å; T539-V542 PolarHBondContact O-N 2.63Å; T539-V542 VanDerWaalsContact O-N 3.15Å; P540-V542 VanDerWaalsContact C-N 3.34Å; V542-I544 HydrophobicContact CG1-CD1 4.12Å; V542-I544 HydrophobicContact CG1-CG1 3.77Å
543R97.8Very high96.8Very high118 Ų11841.4 Ų41.445%0.44522%0.219SC..EExtended strand (participates in β ladder)trans-130.5120.3177.3-55.2-177.6-61.3-156-8109.4M1 Q514 D515 I516 N536M1-R543 HydrophobicContact CB-CB 3.98Å; M1-R543 HydrophobicContact CG-CB 4.12Å; Q514-R543 PolarHBondContact O-N 3.22Å; D515-R543 IonicContact OD1-CZ 3.82Å; D515-R543 IonicContact OD1-NE 2.93Å; D515-R543 PolarHBondContact OD1-NE 3.23Å; D515-R543 IonicContact OD1-NH2 2.78Å; D515-R543 PolarHBondContact OD1-NH2 3.32Å; D515-R543 IonicContact OD2-CZ 2.71Å; D515-R543 IonicContact OD2-NH2 2.9Å; D515-R543 PolarHBondContact OD2-NH2 3.23Å; I516-R543 PolarHBondContact N-O 3.35Å; N536-R543 WeakPolarHBondContact OD1-CA 3.37Å
544I98.6Very high96.8Very high3 Ų338 Ų382%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-119.9131.7-172.9-47.7177.6000108.9L488 I492 I516 V518 V532 L535 N536 V542L488-I544 HydrophobicContact CD1-CD1 4.23Å; L488-I544 HydrophobicContact CD1-CG2 4.27Å; I492-I544 HydrophobicContact CD1-CD1 4Å; I516-I544 HydrophobicContact CB-CG1 4.28Å; I516-I544 HydrophobicContact CB-CG2 4.41Å; I516-I544 HydrophobicContact CD1-CG1 4.37Å; I516-I544 HydrophobicContact CG2-CG2 4.44Å; I516-I544 CarbonylContact O-C 3.53Å; I516-I544 VanDerWaalsContact O-CA 3.26Å; I516-I544 WeakPolarHBondContact O-CA 3.4Å; V518-I544 HydrophobicContact CG2-CG2 4.28Å; V532-I544 HydrophobicContact CG1-CB 3.86Å; V532-I544 HydrophobicContact CG1-CG2 3.74Å; V532-I544 HydrophobicContact CG2-CG2 4.1Å; L535-I544 HydrophobicContact CB-CD1 3.89Å; L535-I544 HydrophobicContact CD1-CD1 4.21Å; N536-I544 PolarHBondContact ND2-O 3.31Å; N536-I544 PolarHBondContact OD1-N 3.39Å; V542-I544 HydrophobicContact CG1-CD1 4.12Å; V542-I544 HydrophobicContact CG1-CG1 3.77Å
545V98.7Very high96.8Very high0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-118.1126.4168.1169.60000108.2M1 V3 H135 F137 L183 I516 M517 V518M1-V545 HydrophobicContact CB-CG2 4.03Å; M1-V545 HydrophobicContact CE-CB 3.66Å; M1-V545 HydrophobicContact CE-CG2 3.46Å; M1-V545 VanDerWaalsContact CE-CG2 3.46Å; M1-V545 HydrophobicContact SD-CG2 4.16Å; V3-V545 HydrophobicContact CG1-CG1 3.69Å; V3-V545 HydrophobicContact CG1-CG2 4.4Å; H135-V545 WeakPolarHBondContact O-CA 3.46Å; F137-V545 HydrophobicContact CD1-CG1 3.6Å; F137-V545 HydrophobicContact CE1-CG1 3.81Å; L183-V545 HydrophobicContact CD1-CG2 4.45Å; I516-V545 PolarHBondContact O-N 2.84Å; M517-V545 WeakPolarHBondContact CA-O 3.37Å; V518-V545 PolarHBondContact N-O 3.28Å
546L98.9Very high96.8Very high1 Ų140.5 Ų40.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-94138.8173.1-179.959.7000109.9H135 V136 F137 L484 V518 A524 E528 V532H135-L546 PolarHBondContact O-N 3.05Å; V136-L546 CarbonylContact C-O 3.53Å; V136-L546 VanDerWaalsContact CA-O 3.24Å; V136-L546 WeakPolarHBondContact CA-O 3.43Å; F137-L546 VanDerWaalsContact CD1-O 3.29Å; F137-L546 WeakPolarHBondContact CD1-O 3.36Å; F137-L546 PolarHBondContact N-O 3.31Å; L484-L546 HydrophobicContact CD2-CD1 3.99Å; L484-L546 HydrophobicContact CD2-CD2 4.3Å; V518-L546 HydrophobicContact CB-CD1 4Å; V518-L546 HydrophobicContact CG1-CD1 3.94Å; A524-L546 HydrophobicContact CB-CD1 4.41Å; A524-L546 HydrophobicContact CB-CD2 4.09Å; A524-L546 HydrophobicContact CB-CG 4.19Å; E528-L546 HydrophobicContact CB-CD2 3.75Å; V532-L546 HydrophobicContact CB-CB 4.49Å; V532-L546 HydrophobicContact CG1-CB 4.47Å; V532-L546 HydrophobicContact CG2-CB 4.07Å; V532-L546 HydrophobicContact CG2-CD2 4.34Å
547G98.6Very high96.9Very high0 Ų038.4 Ų38.40%020%0.203CC..EExtended strand (participates in β ladder)trans-145.2170.7159.800000112.5F137 V518 F519 L520F137-G547 WeakPolarHBondContact O-CA 3.43Å; V518-G547 PolarHBondContact O-N 3.2Å; F519-G547 CarbonylContact C-O 3.41Å; F519-G547 WeakPolarHBondContact CA-O 3.4Å; L520-G547 PolarHBondContact N-O 3.13Å
548G98.3Very high97Very high0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-155.4174.3175.400000111L139 L520 A550L139-G548 PolarHBondContact N-O 2.95Å; L139-G548 VanDerWaalsContact N-O 3.11Å; L520-G548 WeakPolarHBondContact O-CA 3.42Å; G548-A550 VanDerWaalsContact C-N 3.25Å; G548-A550 PolarHBondContact O-N 3.37Å
549S97.8Very high97Very high1 Ų128.9 Ų28.91%0.00716%0.162CC..SBendtrans-57.8-43.2172.855.60000111L139 N140 L141 L520 S522 G523L139-S549 CarbonylContact C-O 3.29Å; L139-S549 PolarHBondContact N-O 2.93Å; N140-S549 PolarHBondContact N-O 3Å; L141-S549 PolarHBondContact N-O 3.38Å; L141-S549 CarbonylContact O-C 3.52Å; L520-S549 PolarHBondContact O-N 3.17Å; S522-S549 VanDerWaalsContact CA-OG 3.28Å; S522-S549 WeakPolarHBondContact CA-OG 3.41Å; S522-S549 PolarHBondContact N-OG 2.96Å; G523-S549 PolarHBondContact N-OG 3.29Å
550A97.6Very high97Very high3 Ų327.3 Ų27.33%0.02515%0.152CC..  trans-138.9175.7172.300000110.9L141 Q142 G523 A524 G548L141-A550 WeakPolarHBondContact O-CB 3.48Å; Q142-A550 HydrophobicContact CG-CB 4.48Å; G523-A550 CarbonylContact C-O 3.57Å; G523-A550 WeakPolarHBondContact CA-O 3.37Å; A524-A550 PolarHBondContact N-O 3.07Å; G548-A550 VanDerWaalsContact C-N 3.25Å; G548-A550 PolarHBondContact O-N 3.37Å
551I98.1Very high97.2Very high21 Ų2121.4 Ų21.411%0.10811%0.114CC..EExtended strand (participates in β ladder)trans-110.6124.3162.5-59.8177.5000107.2V132 V136 H251 A524 Y526V132-I551 HydrophobicContact CB-CD1 4.14Å; V132-I551 HydrophobicContact CG1-CD1 4.05Å; V132-I551 HydrophobicContact CG2-CD1 3.72Å; V136-I551 HydrophobicContact CG1-CD1 3.8Å; H251-I551 PolarHBondContact NE2-O 3.5Å; A524-I551 CarbonylContact O-C 3.58Å; A524-I551 VanDerWaalsContact O-CA 3.3Å; A524-I551 WeakPolarHBondContact O-CA 3.25Å; Y526-I551 HydrophobicContact CD1-CG2 4.38Å; Y526-I551 HydrophobicContact CD2-CG2 3.79Å; Y526-I551 HydrophobicContact CE1-CD1 4.1Å; Y526-I551 HydrophobicContact CE1-CG2 4.23Å; Y526-I551 HydrophobicContact CE2-CG2 3.62Å; Y526-I551 HydrophobicContact CG-CG2 4.17Å
552H98Very high97.2Very high4 Ų419.4 Ų19.42%0.0199%0.089CC..EExtended strand (participates in β ladder)trans-106.3141.4-172.6-71.7-58.2000113.2H251 S522 A524 S556 F557H251-H552 VanDerWaalsContact NE2-C 3.32Å; S522-H552 PolarHBondContact O-CD2 3.46Å; S522-H552 PolarHBondContact O-NE2 3.27Å; A524-H552 PolarHBondContact O-N 3.25Å; H552-S556 WeakPolarHBondContact CA-OG 3.37Å; H552-S556 PolarHBondContact ND1-OG 2.94Å; H552-S556 VanDerWaalsContact ND1-OG 3.11Å; H552-F557 HydrophobicContact CB-CB 4Å; H552-F557 PolarHBondContact ND1-N 3.14Å
553N98Very high96.9Very high22 Ų2221.9 Ų21.912%0.11810%0.101CC..  trans-98.5177.1149.959.216.1000109.6H251 E252 K555 S556 F557H251-N553 PolarHBondContact CD2-N 3.4Å; H251-N553 PolarHBondContact NE2-N 3.02Å; H251-N553 PolarHBondContact O-ND2 3.36Å; E252-N553 WeakPolarHBondContact OE2-CB 3.43Å; N553-K555 VanDerWaalsContact C-N 3.27Å; N553-K555 PolarHBondContact O-N 3.08Å; N553-K555 PolarHBondContact OD1-N 3.11Å; N553-S556 PolarHBondContact N-OG 3.46Å; N553-S556 VanDerWaalsContact N-OG 3.16Å; N553-S556 PolarHBondContact O-N 3.37Å; N553-S556 PolarHBondContact O-OG 3.23Å; N553-S556 WeakPolarHBondContact OD1-CB 3.41Å; N553-S556 PolarHBondContact OD1-N 3.39Å; N553-S556 PolarHBondContact OD1-OG 3.48Å; N553-F557 WeakPolarHBondContact O-CB 3.19Å; N553-F557 PolarHBondContact O-N 3.11Å
554T97.9Very high96.6Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-49.6-49.3178.5-58.60000111.8P239 L240 E252 L396 R400 F557 L558P239-T554 VanDerWaalsContact O-CA 3.25Å; P239-T554 WeakPolarHBondContact O-CA 3.21Å; P239-T554 PolarHBondContact O-N 3.49Å; P239-T554 PolarHBondContact O-OG1 3.41Å; L240-T554 HydrophobicContact CD2-CG2 4.18Å; L240-T554 PolarHBondContact O-OG1 2.96Å; E252-T554 VanDerWaalsContact CD-OG1 3.29Å; E252-T554 WeakPolarHBondContact OE1-CB 3.12Å; E252-T554 PolarHBondContact OE1-OG1 3.2Å; E252-T554 PolarHBondContact OE2-N 3.14Å; E252-T554 PolarHBondContact OE2-OG1 3.38Å; E252-T554 VanDerWaalsContact OE2-OG1 3.14Å; L396-T554 HydrophobicContact CD1-CG2 4.38Å; R400-T554 PolarHBondContact NE-OG1 2.97Å; R400-T554 PolarHBondContact NH2-OG1 3.28Å; T554-F557 PolarHBondContact O-N 3.37Å; T554-L558 HydrophobicContact CG2-CD1 3.97Å; T554-L558 HydrophobicContact CG2-CG 4.36Å; T554-L558 VanDerWaalsContact O-CG 3.29Å; T554-L558 WeakPolarHBondContact O-CG 3.36Å; T554-L558 PolarHBondContact O-N 3.27Å
555K96.5Very high96.2Very high119 Ų11916.5 Ų16.552%0.5178%0.081SC..Hα-helixtrans-63.8-50.3-173.2-176.2-180175.5-174.60112.5N553 F557 L558 E559N553-K555 VanDerWaalsContact C-N 3.27Å; N553-K555 PolarHBondContact O-N 3.08Å; N553-K555 PolarHBondContact OD1-N 3.11Å; K555-F557 VanDerWaalsContact C-N 3.32Å; K555-L558 PolarHBondContact O-N 2.98Å; K555-E559 WeakPolarHBondContact O-CG 3.37Å; K555-E559 PolarHBondContact O-N 3.24Å; K555-E559 VanDerWaalsContact O-N 3.09Å
556S97.1Very high95.2Very high13 Ų1318.5 Ų18.59%0.09110%0.102CC..Hα-helixtrans-69.4-31-179.6580000112.2H552 N553 E559 E560H552-S556 WeakPolarHBondContact CA-OG 3.37Å; H552-S556 PolarHBondContact ND1-OG 2.94Å; H552-S556 VanDerWaalsContact ND1-OG 3.11Å; N553-S556 PolarHBondContact N-OG 3.46Å; N553-S556 VanDerWaalsContact N-OG 3.16Å; N553-S556 PolarHBondContact O-N 3.37Å; N553-S556 PolarHBondContact O-OG 3.23Å; N553-S556 WeakPolarHBondContact OD1-CB 3.41Å; N553-S556 PolarHBondContact OD1-N 3.39Å; N553-S556 PolarHBondContact OD1-OG 3.48Å; S556-E559 PolarHBondContact O-N 3.49Å; S556-E560 PolarHBondContact O-N 3.31Å
557F97.9Very high93.8Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-63.7-45.7170.9171.9-116.7000111.7R232 A236 P239 L240 Y443 H552 N553 T554 K555 E559 E560 V561R232-F557 HydrophobicContact CG-CD2 4.29Å; R232-F557 HydrophobicContact CG-CE2 3.73Å; A236-F557 HydrophobicContact CB-CZ 3.93Å; P239-F557 HydrophobicContact CB-CB 3.87Å; P239-F557 HydrophobicContact CB-CD1 3.76Å; P239-F557 HydrophobicContact CB-CD2 4.01Å; P239-F557 HydrophobicContact CB-CE1 4.3Å; P239-F557 HydrophobicContact CB-CG 3.59Å; P239-F557 HydrophobicContact CG-CB 4.46Å; P239-F557 HydrophobicContact CG-CD1 3.53Å; P239-F557 HydrophobicContact CG-CD2 3.77Å; P239-F557 HydrophobicContact CG-CE1 3.55Å; P239-F557 HydrophobicContact CG-CE2 3.8Å; P239-F557 HydrophobicContact CG-CG 3.64Å; P239-F557 HydrophobicContact CG-CZ 3.69Å; L240-F557 HydrophobicContact CD2-CD1 3.88Å; L240-F557 HydrophobicContact CD2-CE1 3.94Å; L240-F557 HydrophobicContact CG-CD1 4.26Å; L240-F557 HydrophobicContact CG-CE1 4.01Å; Y443-F557 HydrophobicContact CD1-CE2 4.38Å; Y443-F557 HydrophobicContact CD1-CZ 4.24Å; Y443-F557 AromaticContact CE1-CE2 3.82Å; Y443-F557 HydrophobicContact CE1-CE2 3.82Å; Y443-F557 HydrophobicContact CE1-CZ 4.08Å; H552-F557 HydrophobicContact CB-CB 4Å; H552-F557 PolarHBondContact ND1-N 3.14Å; N553-F557 WeakPolarHBondContact O-CB 3.19Å; N553-F557 PolarHBondContact O-N 3.11Å; T554-F557 PolarHBondContact O-N 3.37Å; K555-F557 VanDerWaalsContact C-N 3.32Å; F557-E559 VanDerWaalsContact C-N 3.26Å; F557-E559 PolarHBondContact O-N 3.39Å; F557-E560 WeakPolarHBondContact O-CB 3.29Å; F557-E560 PolarHBondContact O-N 2.71Å; F557-E560 VanDerWaalsContact O-N 3.14Å; F557-V561 HydrophobicContact CD1-CG2 4.41Å; F557-V561 HydrophobicContact CD2-CG2 4.16Å; F557-V561 HydrophobicContact CE1-CG2 3.96Å; F557-V561 HydrophobicContact CE2-CG2 3.67Å; F557-V561 HydrophobicContact CZ-CG2 3.56Å; F557-V561 WeakPolarHBondContact O-CG2 3.45Å; F557-V561 PolarHBondContact O-N 3.03Å
558L96.6Very high91.8Very high3 Ų324.8 Ų24.82%0.01614%0.14CC..Hα-helixtrans-63.5-33.2176.9-68.4178000112.4L240 L396 M403 M436 V440 T554 K555 V561 M562L240-L558 HydrophobicContact CD2-CD2 3.95Å; L240-L558 HydrophobicContact CD2-CG 4.43Å; L396-L558 HydrophobicContact CD1-CD1 3.81Å; M403-L558 HydrophobicContact CE-CD1 4.03Å; M403-L558 HydrophobicContact CE-CD2 3.54Å; M403-L558 HydrophobicContact CE-CG 4.45Å; M403-L558 HydrophobicContact SD-CD1 4.28Å; M403-L558 HydrophobicContact SD-CD2 3.72Å; M436-L558 HydrophobicContact CE-CB 4.37Å; M436-L558 HydrophobicContact SD-CB 3.97Å; M436-L558 HydrophobicContact SD-CD1 3.94Å; M436-L558 HydrophobicContact SD-CG 4.4Å; V440-L558 HydrophobicContact CG2-CD2 3.56Å; T554-L558 HydrophobicContact CG2-CD1 3.97Å; T554-L558 HydrophobicContact CG2-CG 4.36Å; T554-L558 VanDerWaalsContact O-CG 3.29Å; T554-L558 WeakPolarHBondContact O-CG 3.36Å; T554-L558 PolarHBondContact O-N 3.27Å; K555-L558 PolarHBondContact O-N 2.98Å; L558-V561 PolarHBondContact O-N 3.09Å; L558-M562 WeakPolarHBondContact O-CG 3.5Å; L558-M562 PolarHBondContact O-N 2.93Å
559E95.4Very high89.2Confident62 Ų6228 Ų2829%0.2917%0.173SC..Hα-helixtrans-64.5-44.8171.8-71.5172.3178.200111.7K555 S556 F557 V561 M562 L563K555-E559 WeakPolarHBondContact O-CG 3.37Å; K555-E559 PolarHBondContact O-N 3.24Å; K555-E559 VanDerWaalsContact O-N 3.09Å; S556-E559 PolarHBondContact O-N 3.49Å; F557-E559 VanDerWaalsContact C-N 3.26Å; F557-E559 PolarHBondContact O-N 3.39Å; E559-V561 PolarHBondContact O-N 2.62Å; E559-M562 PolarHBondContact O-N 3Å; E559-L563 WeakPolarHBondContact O-CG 3.43Å; E559-L563 PolarHBondContact O-N 2.86Å; E559-L563 VanDerWaalsContact O-N 3.08Å
560E95.4Very high86.6Confident1 Ų133.3 Ų33.31%0.00520%0.201CC..Hα-helixtrans-57.8-46.2173.2179.868.5-16400111.6G143 V144 S522 S556 F557 M562 L563 A564G143-E560 WeakPolarHBondContact CA-OE2 3.41Å; G143-E560 PolarHBondContact N-OE2 2.7Å; V144-E560 WeakPolarHBondContact CG2-OE1 3.35Å; V144-E560 PolarHBondContact N-OE1 2.86Å; S522-E560 PolarHBondContact OG-OE1 3.25Å; S556-E560 PolarHBondContact O-N 3.31Å; F557-E560 WeakPolarHBondContact O-CB 3.29Å; F557-E560 PolarHBondContact O-N 2.71Å; F557-E560 VanDerWaalsContact O-N 3.14Å; E560-M562 VanDerWaalsContact C-N 3.33Å; E560-M562 PolarHBondContact O-N 3.11Å; E560-L563 PolarHBondContact O-N 3.41Å; E560-A564 VanDerWaalsContact O-CB 3.3Å; E560-A564 WeakPolarHBondContact O-CB 3.49Å; E560-A564 PolarHBondContact O-N 3.13Å
561V95.1Very high83.8Confident0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-59.5-42.4177.7167.10000111.7S439 V440 Y443 F557 L558 E559 A564 T565S439-V561 WeakPolarHBondContact O-CG1 3.25Å; V440-V561 HydrophobicContact CG2-CG1 4Å; V440-V561 HydrophobicContact CG2-CG2 4.5Å; Y443-V561 HydrophobicContact CD1-CG2 3.96Å; Y443-V561 HydrophobicContact CD2-CB 4.4Å; Y443-V561 HydrophobicContact CD2-CG2 3.97Å; Y443-V561 HydrophobicContact CE1-CG2 4.33Å; Y443-V561 HydrophobicContact CE2-CG2 4.31Å; Y443-V561 HydrophobicContact CG-CB 4.45Å; Y443-V561 HydrophobicContact CG-CG1 4.32Å; Y443-V561 HydrophobicContact CG-CG2 3.78Å; F557-V561 HydrophobicContact CD1-CG2 4.41Å; F557-V561 HydrophobicContact CD2-CG2 4.16Å; F557-V561 HydrophobicContact CE1-CG2 3.96Å; F557-V561 HydrophobicContact CE2-CG2 3.67Å; F557-V561 HydrophobicContact CZ-CG2 3.56Å; F557-V561 WeakPolarHBondContact O-CG2 3.45Å; F557-V561 PolarHBondContact O-N 3.03Å; L558-V561 PolarHBondContact O-N 3.09Å; E559-V561 PolarHBondContact O-N 2.62Å; V561-A564 PolarHBondContact O-N 3.12Å; V561-T565 WeakPolarHBondContact O-CB 3.44Å; V561-T565 WeakPolarHBondContact O-CG2 3.44Å; V561-T565 PolarHBondContact O-N 2.88Å; V561-T565 PolarHBondContact O-OG1 2.87Å
562M92.5Very high80.8Confident17 Ų1746.7 Ų46.78%0.08427%0.266CS..Hα-helixtrans-68.3-36.8179.9-71.8-63.8-73.200112.5M436 S439 L558 E559 E560 G566 H567M436-M562 HydrophobicContact CB-SD 4.45Å; M436-M562 HydrophobicContact CE-CG 3.96Å; M436-M562 HydrophobicContact CG-CE 4.49Å; M436-M562 HydrophobicContact CG-CG 3.92Å; M436-M562 HydrophobicContact CG-SD 3.68Å; S439-M562 PolarHBondContact OG-SD 3.27Å; L558-M562 WeakPolarHBondContact O-CG 3.5Å; L558-M562 PolarHBondContact O-N 2.93Å; E559-M562 PolarHBondContact O-N 3Å; E560-M562 VanDerWaalsContact C-N 3.33Å; E560-M562 PolarHBondContact O-N 3.11Å; M562-G566 PolarHBondContact O-N 3.38Å; M562-H567 HydrophobicContact CE-CB 3.39Å; M562-H567 WeakPolarHBondContact CE-O 3.47Å; M562-H567 PolarHBondContact O-N 3.06Å; M562-H567 HydrophobicContact SD-CB 4.1Å
563L91.1Very high77.5Confident71 Ų7156.4 Ų56.437%0.37231%0.311SS..Hα-helixtrans-65.6-46.2172.4-67.2171.1000110.7E559 E560 T565 G566E559-L563 WeakPolarHBondContact O-CG 3.43Å; E559-L563 PolarHBondContact O-N 2.86Å; E559-L563 VanDerWaalsContact O-N 3.08Å; E560-L563 PolarHBondContact O-N 3.41Å; L563-T565 VanDerWaalsContact C-N 3.3Å; L563-T565 PolarHBondContact O-N 3.4Å; L563-G566 PolarHBondContact O-N 3.21Å
564A91.1Very high74.4Confident1 Ų158.1 Ų58.11%0.00833%0.334CS..Hα-helixtrans-63.4-32.1-17900000113.7S145 R146 R147 Y443 E560 V561S145-A564 WeakPolarHBondContact OG-CB 3.32Å; R146-A564 CarbonylContact C-O 3.35Å; R147-A564 WeakPolarHBondContact CA-O 3.4Å; R147-A564 PolarHBondContact N-O 3.45Å; Y443-A564 HydrophobicContact CD2-CB 3.79Å; Y443-A564 HydrophobicContact CE2-CB 3.87Å; E560-A564 VanDerWaalsContact O-CB 3.3Å; E560-A564 WeakPolarHBondContact O-CB 3.49Å; E560-A564 PolarHBondContact O-N 3.13Å; V561-A564 PolarHBondContact O-N 3.12Å
565T89Confident71.3Confident7 Ų765 Ų654%0.04338%0.377CS..THydrogen-bonded Turntrans-951.1-178.956.90000113.8R147 S439 E442 V561 L563 H567R147-T565 WeakPolarHBondContact CD-O 3.4Å; R147-T565 PolarHBondContact NH1-O 2.85Å; S439-T565 WeakPolarHBondContact O-CG2 3.31Å; E442-T565 HydrophobicContact CB-CG2 4.05Å; V561-T565 WeakPolarHBondContact O-CB 3.44Å; V561-T565 WeakPolarHBondContact O-CG2 3.44Å; V561-T565 PolarHBondContact O-N 2.88Å; V561-T565 PolarHBondContact O-OG1 2.87Å; L563-T565 VanDerWaalsContact C-N 3.3Å; L563-T565 PolarHBondContact O-N 3.4Å; T565-H567 PolarHBondContact O-ND1 3.3Å; T565-H567 PolarHBondContact OG1-ND1 3.47Å
566G78.9Confident68.3Low43 Ų4362.8 Ų62.844%0.44339%0.388SS..THydrogen-bonded Turntrans75.521.8174.400000114.8M562 L563M562-G566 PolarHBondContact O-N 3.38Å; L563-G566 PolarHBondContact O-N 3.21Å
567H68.3Low64.9Low55 Ų5573.6 Ų73.626%0.25543%0.426SS..  trans-100.427.9-178.9-65.6104.5000112.9E442 M562 T565 G569E442-H567 IonicContact OE2-CE1 3.68Å; M562-H567 HydrophobicContact CE-CB 3.39Å; M562-H567 WeakPolarHBondContact CE-O 3.47Å; M562-H567 PolarHBondContact O-N 3.06Å; M562-H567 HydrophobicContact SD-CB 4.1Å; T565-H567 PolarHBondContact O-ND1 3.3Å; T565-H567 PolarHBondContact OG1-ND1 3.47Å; H567-G569 PolarHBondContact O-N 3.34Å
568S57.9Low61.6Low77 Ų7783.1 Ų83.154%0.53847%0.47SS..  trans-7122.7-174.151.90000115.6D570S568-D570 VanDerWaalsContact C-N 3.31Å; S568-D570 PolarHBondContact O-N 3.06Å
569G44.1Very low58.2Low68 Ų6887.2 Ų87.270%0.70150%0.499SS*.  trans-65.9-20.2-171.300000116.4H567H567-G569 PolarHBondContact O-N 3.34Å
570D41.7Very low55.3Low112 Ų11291 Ų9160%0.59953%0.527SS*.  trans-125.476.2-179.1-72.7-41.4000111.3S568 A572S568-D570 VanDerWaalsContact C-N 3.31Å; S568-D570 PolarHBondContact O-N 3.06Å; D570-A572 VanDerWaalsContact C-N 3.31Å; D570-A572 PolarHBondContact O-N 3.36Å
571R39.5Very low52.1Low230 Ų230101.8 Ų101.887%0.86857%0.568SS**  trans-65102.5149.6-88.5-172.4174.8179.60.3106.7Q573R571-Q573 PolarHBondContact O-N 2.72Å; R571-Q573 VanDerWaalsContact O-N 3.11Å
572A34.8Very low49Very low75 Ų75117.3 Ų117.362%0.6263%0.626SS**  trans-47.6122.2156.100000107.3D570 G574D570-A572 VanDerWaalsContact C-N 3.31Å; D570-A572 PolarHBondContact O-N 3.36Å; A572-G574 PolarHBondContact O-N 2.86Å
573Q29.4Very low46.8Very low208 Ų208122.3 Ų122.397%0.97265%0.653SS**SBendtrans-66.445.6172.5-68.8-178.4-8.400111.6R571R571-Q573 PolarHBondContact O-N 2.72Å; R571-Q573 VanDerWaalsContact O-N 3.11Å
574G31.5Very low44.5Very low58 Ų58125 Ų12560%0.59867%0.668SS**  trans-129.520.8-161.300000114.8A572A572-G574 PolarHBondContact O-N 2.86Å
575T33.1Very low41.9Very low146 Ų146131.9 Ų131.990%0.89671%0.705SS**SBendtrans-15581.5162.151.60000108.9
576G32.8Very low39.2Very low72 Ų72139.2 Ų139.274%0.74274%0.744SS**SBendtrans163.637.6179.800000116.1
577R27Very low36.7Very low240 Ų240145.3 Ų145.391%0.90676%0.762SS**  trans-151.578.2157.6-85.9-169.1176.6171.7-1.3108.3S579R577-S579 VanDerWaalsContact C-N 3.29Å; R577-S579 PolarHBondContact O-N 2.81Å
578H27.9Very low34.6Very low200 Ų200151.3 Ų151.393%0.92680%0.796SS**  trans-75100.8146.6-93.6-48.5000105.9T580H578-T580 PolarHBondContact O-N 3.42Å
579S25.6Very low32.9Very low89 Ų89156.6 Ų156.662%0.62282%0.815SS**  trans-56.6117.3169.655.10000109.1R577 R581R577-S579 VanDerWaalsContact C-N 3.29Å; R577-S579 PolarHBondContact O-N 2.81Å; S579-R581 PolarHBondContact O-N 2.89Å
580T35.6Very low32Very low142 Ų142163.4 Ų163.487%0.87182%0.823SS**  trans-51.9105.7145.341.50000108.3H578H578-T580 PolarHBondContact O-N 3.42Å
581R26.8Very low31.2Very low227 Ų227167.7 Ų167.786%0.85784%0.842SS**  trans-142.7103.2158.6-95.2-169.7174.3-178.7-1.8109.2S579S579-R581 PolarHBondContact O-N 2.89Å
582R30.8Very low30.5Very low325 Ų325162 Ų162100%1.22684%0.84SS**  trans59.90164.2-70.6-172.9176.9-177.1-1.3118

Retrieved 582 of 582 residues in 1007.6 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).