A0A087YHQ7_POEFO Loading...

Centromere protein N

AlphaFold DB , UniProt , Accession A0A087YHQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 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
1M80.3Confident90.7Very high59 Ų5962.2 Ų62.229%0.29129%0.294SS..  0145.40177.9-172.4-66.600109.8A5 K6 L9 C56 E57 L61 I66M1-A5 HydrophobicContact CG-CB 3.51Å; M1-A5 VanDerWaalsContact SD-C 3.58Å; M1-A5 HydrophobicContact SD-CB 3.67Å; M1-K6 HydrophobicContact SD-CB 3.97Å; M1-K6 PolarHBondContact SD-N 3.48Å; M1-L9 HydrophobicContact CE-CD2 4.34Å; M1-C56 HydrophobicContact CE-CB 3Å; M1-E57 HydrophobicContact CB-CG 3.63Å; M1-L61 HydrophobicContact CE-CB 4.48Å; M1-I66 HydrophobicContact CE-CD1 4.35Å
2D86.3Confident90.9Very high76 Ų7657.6 Ų57.641%0.40627%0.272SS..  trans-64.2144.1172.3-179.820.1000112.5L4 A5 K6D2-L4 PolarHBondContact O-N 3.14Å; D2-A5 HydrophobicContact CB-CB 4.37Å; D2-A5 WeakPolarHBondContact O-CB 3.4Å; D2-A5 PolarHBondContact O-N 2.94Å; D2-K6 PolarHBondContact O-N 3.17Å
3N88.3Confident91.2Very high117 Ų11753.2 Ų53.263%0.62625%0.252SS*.Hα-helixtrans-56.2-37.4178.9-80.3-22.3000112.2K6 H7N3-K6 PolarHBondContact O-N 3.37Å; N3-H7 PolarHBondContact O-CD2 2.62Å; N3-H7 VanDerWaalsContact O-CD2 3.26Å; N3-H7 PolarHBondContact O-N 3.49Å
4L89.4Confident91.3Very high51 Ų5163.3 Ų63.327%0.26729%0.286SS..Hα-helixtrans-64.1-43.5175.9179.160.9000111.8D2 K6 H7 L8 V63D2-L4 PolarHBondContact O-N 3.14Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.15Å; L4-H7 PolarHBondContact O-N 2.83Å; L4-L8 HydrophobicContact CD1-CD1 4.23Å; L4-L8 HydrophobicContact CD1-CG 4.31Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 WeakPolarHBondContact O-CD1 3.37Å; L4-L8 VanDerWaalsContact O-CG 3.22Å; L4-L8 WeakPolarHBondContact O-CG 3.29Å; L4-L8 PolarHBondContact O-N 3.2Å; L4-V63 HydrophobicContact CB-CG2 4.38Å; L4-V63 HydrophobicContact CD2-CG2 4.27Å; L4-V63 HydrophobicContact CG-CG2 4.27Å
5A91.4Very high91.4Very high0 Ų065.3 Ų65.30%029%0.29CS..Hα-helixtrans-62.3-40.6177.100000111.3M1 D2 L8 L9 V63 I66M1-A5 HydrophobicContact CG-CB 3.51Å; M1-A5 VanDerWaalsContact SD-C 3.58Å; M1-A5 HydrophobicContact SD-CB 3.67Å; D2-A5 HydrophobicContact CB-CB 4.37Å; D2-A5 WeakPolarHBondContact O-CB 3.4Å; D2-A5 PolarHBondContact O-N 2.94Å; A5-L8 PolarHBondContact O-N 3.04Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 3.04Å; A5-V63 HydrophobicContact CB-CG2 3.73Å; A5-I66 HydrophobicContact CB-CG1 4.05Å
6K93.3Very high91.5Very high65 Ų6561.2 Ų61.228%0.28327%0.272SS..Hα-helixtrans-62.5-48.4176.7-175.5169.1-174.61460112.2M1 D2 N3 L4 L8 L9 Q10 V53 E57M1-K6 HydrophobicContact SD-CB 3.97Å; M1-K6 PolarHBondContact SD-N 3.48Å; D2-K6 PolarHBondContact O-N 3.17Å; N3-K6 PolarHBondContact O-N 3.37Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.15Å; K6-L8 PolarHBondContact O-N 3.44Å; K6-L9 PolarHBondContact O-N 3.24Å; K6-Q10 WeakPolarHBondContact O-CG 3.35Å; K6-Q10 PolarHBondContact O-N 3.34Å; K6-V53 HydrophobicContact CD-CG1 4.06Å; K6-V53 HydrophobicContact CG-CG1 4.11Å; K6-V53 HydrophobicContact CG-CG2 4.3Å; K6-E57 IonicContact NZ-OE1 2.92Å; K6-E57 PolarHBondContact NZ-OE1 3.47Å
7H92.6Very high91.6Very high115 Ų11560.5 Ų60.553%0.53228%0.275SS..Hα-helixtrans-64.1-39.4177-77.4-51.8000113.1N3 L4 R11N3-H7 PolarHBondContact O-CD2 2.62Å; N3-H7 VanDerWaalsContact O-CD2 3.26Å; N3-H7 PolarHBondContact O-N 3.49Å; L4-H7 PolarHBondContact O-N 2.83Å; H7-R11 WeakPolarHBondContact O-CB 3.46Å; H7-R11 PolarHBondContact O-N 3.34Å
8L93.1Very high91.5Very high11 Ų1160.9 Ų60.96%0.05829%0.291CS..Hα-helixtrans-61.2-46.1174.4-74.6166.1000111.2L4 A5 K6 R11 L12 V63 I66 H145 L146L4-L8 HydrophobicContact CD1-CD1 4.23Å; L4-L8 HydrophobicContact CD1-CG 4.31Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 WeakPolarHBondContact O-CD1 3.37Å; L4-L8 VanDerWaalsContact O-CG 3.22Å; L4-L8 WeakPolarHBondContact O-CG 3.29Å; L4-L8 PolarHBondContact O-N 3.2Å; A5-L8 PolarHBondContact O-N 3.04Å; K6-L8 PolarHBondContact O-N 3.44Å; L8-R11 PolarHBondContact O-N 3.11Å; L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.03Å; L8-V63 HydrophobicContact CD1-CG1 3.87Å; L8-I66 HydrophobicContact CB-CG2 3.85Å; L8-H145 HydrophobicContact CD1-CB 3.59Å; L8-H145 HydrophobicContact CD2-CB 3.77Å; L8-H145 HydrophobicContact CG-CB 4.29Å; L8-L146 HydrophobicContact CD2-CD2 3.56Å; L8-L146 HydrophobicContact CD2-CG 4.01Å; L8-L146 HydrophobicContact CG-CD2 4.37Å
9L94.6Very high91.5Very high0 Ų063.7 Ų63.70%032%0.317CS..Hα-helixtrans-61-49.7178.8-178.157.6000111.1M1 A5 K6 R11 L12 M13 L52 V53 C56 I66 L69M1-L9 HydrophobicContact CE-CD2 4.34Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 3.04Å; K6-L9 PolarHBondContact O-N 3.24Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-L12 VanDerWaalsContact O-N 3.14Å; L9-M13 HydrophobicContact CD1-CG 4.24Å; L9-M13 HydrophobicContact CG-CG 4.47Å; L9-M13 VanDerWaalsContact O-CG 3.28Å; L9-M13 WeakPolarHBondContact O-CG 3.2Å; L9-M13 PolarHBondContact O-N 3.46Å; L9-L52 HydrophobicContact CD1-CD2 3.76Å; L9-L52 HydrophobicContact CD1-CG 4.44Å; L9-L52 HydrophobicContact CD2-CD2 4.34Å; L9-L52 HydrophobicContact CD2-CG 4.17Å; L9-L52 HydrophobicContact CG-CD2 4.37Å; L9-V53 HydrophobicContact CD2-CG2 3.89Å; L9-C56 HydrophobicContact CD2-CB 4.45Å; L9-I66 HydrophobicContact CB-CD1 4.39Å; L9-I66 HydrophobicContact CB-CG2 4.2Å; L9-I66 HydrophobicContact CD1-CD1 4.32Å; L9-I66 HydrophobicContact CD2-CD1 4.35Å; L9-L69 HydrophobicContact CD1-CD2 4.04Å
10Q94.3Very high91.5Very high57 Ų5762.8 Ų62.827%0.26631%0.313SS..Hα-helixtrans-57.6-43.5177.5-72.5174-1600112.4K6 M13 R14 T49K6-Q10 WeakPolarHBondContact O-CG 3.35Å; K6-Q10 PolarHBondContact O-N 3.34Å; Q10-M13 PolarHBondContact O-N 3.38Å; Q10-R14 WeakPolarHBondContact O-CG 3.47Å; Q10-R14 PolarHBondContact O-N 3.08Å; Q10-R14 VanDerWaalsContact O-N 3.11Å; Q10-T49 HydrophobicContact CB-CG2 4.34Å; Q10-T49 HydrophobicContact CG-CG2 3.84Å
11R93.9Very high91.6Very high133 Ų13360 Ų6050%0.50230%0.299SS..Hα-helixtrans-65.5-41.7177-177.5175.6175.3-164.7-7.5111.7H7 L8 L9 R14 R15 L146H7-R11 WeakPolarHBondContact O-CB 3.46Å; H7-R11 PolarHBondContact O-N 3.34Å; L8-R11 PolarHBondContact O-N 3.11Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.44Å; R11-R14 PolarHBondContact O-N 2.77Å; R11-R15 PolarHBondContact O-N 2.89Å; R11-R15 VanDerWaalsContact O-N 3.13Å; R11-L146 VanDerWaalsContact NH1-CB 3.32Å; R11-L146 PolarHBondContact NH1-O 3.23Å
12L94.1Very high92.1Very high7 Ų762.2 Ų62.24%0.03731%0.309CS..Hα-helixtrans-63.6-44.8178.2-177.557.3000111.1L8 L9 R14 R15 I16 L69 E70 Y73L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.03Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-L12 VanDerWaalsContact O-N 3.14Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 2.81Å; L12-R15 PolarHBondContact O-N 2.91Å; L12-I16 HydrophobicContact CD1-CD1 3.8Å; L12-I16 HydrophobicContact CD1-CG1 4.01Å; L12-I16 HydrophobicContact CD2-CD1 4.45Å; L12-I16 HydrophobicContact CG-CD1 3.73Å; L12-I16 HydrophobicContact CG-CG1 4.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.44Å; L12-L69 HydrophobicContact CD2-CB 3.96Å; L12-L69 HydrophobicContact CD2-CD2 3.78Å; L12-L69 HydrophobicContact CD2-CG 3.61Å; L12-E70 HydrophobicContact CD1-CB 4.32Å; L12-E70 HydrophobicContact CD1-CG 4.26Å; L12-E70 HydrophobicContact CD2-CB 3.95Å; L12-Y73 HydrophobicContact CD1-CD1 4.03Å; L12-Y73 HydrophobicContact CD1-CG 4.39Å
13M94.4Very high92.4Very high1 Ų161 Ų611%0.00531%0.306CS..Hα-helixtrans-58.4-41175.1-66.7-65.28100112.5L9 Q10 R15 I16 L21 K45 T49 L52 L69L9-M13 HydrophobicContact CD1-CG 4.24Å; L9-M13 HydrophobicContact CG-CG 4.47Å; L9-M13 VanDerWaalsContact O-CG 3.28Å; L9-M13 WeakPolarHBondContact O-CG 3.2Å; L9-M13 PolarHBondContact O-N 3.46Å; Q10-M13 PolarHBondContact O-N 3.38Å; M13-R15 VanDerWaalsContact C-N 3.31Å; M13-R15 PolarHBondContact O-N 2.89Å; M13-I16 HydrophobicContact CE-CD1 3.64Å; M13-L21 HydrophobicContact CE-CD1 3.39Å; M13-L21 HydrophobicContact SD-CD1 3.59Å; M13-L21 VanDerWaalsContact SD-CD1 3.59Å; M13-K45 WeakPolarHBondContact O-CE 3.38Å; M13-K45 PolarHBondContact O-NZ 2.9Å; M13-T49 HydrophobicContact CB-CG2 4.12Å; M13-T49 VanDerWaalsContact CB-OG1 3.25Å; M13-T49 WeakPolarHBondContact CB-OG1 3.43Å; M13-T49 HydrophobicContact CG-CG2 4.07Å; M13-L52 HydrophobicContact CE-CD2 4.32Å; M13-L52 HydrophobicContact CG-CD2 4.23Å; M13-L52 HydrophobicContact SD-CD2 3.42Å; M13-L52 WeakPolarHBondContact SD-CD2 3.36Å; M13-L69 HydrophobicContact CE-CD2 4.31Å
14R92.6Very high92.6Very high194 Ų19455.4 Ų55.473%0.73228%0.276SS*.Hα-helixtrans-61.5-39.7173.8-70.7175-173.2-177.51.9112.3Q10 R11 L12 K45Q10-R14 WeakPolarHBondContact O-CG 3.47Å; Q10-R14 PolarHBondContact O-N 3.08Å; Q10-R14 VanDerWaalsContact O-N 3.11Å; R11-R14 PolarHBondContact O-N 2.77Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 2.81Å; R14-K45 PolarHBondContact O-NZ 3.15Å
15R92.1Very high92.8Very high93 Ų9353.1 Ų53.135%0.35126%0.264SS..Hα-helixtrans-74.2-36.6-176.7-169.6179.1165.1-163.5-13113.5R11 L12 M13 P17 Y73 Q80R11-R15 PolarHBondContact O-N 2.89Å; R11-R15 VanDerWaalsContact O-N 3.13Å; L12-R15 PolarHBondContact O-N 2.91Å; M13-R15 VanDerWaalsContact C-N 3.31Å; M13-R15 PolarHBondContact O-N 2.89Å; R15-P17 WeakPolarHBondContact O-CD 3.43Å; R15-Y73 HydrophobicContact CB-CE1 4.47Å; R15-Y73 HydrophobicContact CG-CE1 3.73Å; R15-Y73 PolarHBondContact O-OH 2.75Å; R15-Q80 VanDerWaalsContact CZ-OE1 3.31Å
16I93.9Very high92.8Very high0 Ų056.3 Ų56.30%028%0.281CS..SBendtrans-71.3124.1-179.1-64.2174000109.7L12 M13 M20 L21 T24 K45 Y73L12-I16 HydrophobicContact CD1-CD1 3.8Å; L12-I16 HydrophobicContact CD1-CG1 4.01Å; L12-I16 HydrophobicContact CD2-CD1 4.45Å; L12-I16 HydrophobicContact CG-CD1 3.73Å; L12-I16 HydrophobicContact CG-CG1 4.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.44Å; M13-I16 HydrophobicContact CE-CD1 3.64Å; I16-M20 HydrophobicContact CG2-CB 4.22Å; I16-L21 HydrophobicContact CB-CD1 4.46Å; I16-L21 HydrophobicContact CG2-CB 4.21Å; I16-L21 HydrophobicContact CG2-CD1 4.07Å; I16-T24 HydrophobicContact CD1-CG2 4.02Å; I16-K45 WeakPolarHBondContact O-CE 3.41Å; I16-K45 PolarHBondContact O-NZ 3.38Å; I16-Y73 HydrophobicContact CB-CD2 4.38Å; I16-Y73 HydrophobicContact CB-CE2 4.21Å; I16-Y73 HydrophobicContact CD1-CD2 4.2Å; I16-Y73 HydrophobicContact CD1-CG 4.13Å; I16-Y73 HydrophobicContact CG1-CD1 4.11Å; I16-Y73 HydrophobicContact CG1-CD2 3.55Å; I16-Y73 HydrophobicContact CG1-CE1 4.29Å; I16-Y73 HydrophobicContact CG1-CE2 3.75Å; I16-Y73 HydrophobicContact CG1-CG 3.7Å; I16-Y73 HydrophobicContact CG2-CD2 4.38Å; I16-Y73 HydrophobicContact CG2-CE2 4.31Å
17P92.6Very high92.7Very high50 Ų5059.4 Ų59.433%0.32530%0.295SS..  trans-58.4144.9174.1-24.234.7000111.9R15 S19 M20 L21R15-P17 WeakPolarHBondContact O-CD 3.43Å; P17-S19 PolarHBondContact O-N 3.13Å; P17-M20 HydrophobicContact CB-CG 4.29Å; P17-M20 HydrophobicContact CG-CG 4.42Å; P17-M20 HydrophobicContact CG-SD 4.05Å; P17-M20 PolarHBondContact O-N 3.11Å; P17-L21 PolarHBondContact O-N 2.66Å; P17-L21 VanDerWaalsContact O-N 3.15Å
18A90.6Very high92.7Very high68 Ų6854.4 Ų54.456%0.56227%0.271SS*.Hα-helixtrans-56.3-40.9-17900000112M20 L21 K45A18-M20 PolarHBondContact O-N 3.02Å; A18-L21 WeakPolarHBondContact O-CB 3.45Å; A18-L21 PolarHBondContact O-N 3Å; A18-K45 HydrophobicContact CB-CD 4.26Å; A18-K45 HydrophobicContact CB-CG 4.41Å
19S90.5Very high92.4Very high113 Ų11356.3 Ų56.379%0.7929%0.294SS*.Hα-helixtrans-61.4-23.2177.154.20000114.5P17P17-S19 PolarHBondContact O-N 3.13Å
20M92.7Very high92.1Very high46 Ų4661.9 Ų61.923%0.22731%0.314CS..Hα-helixtrans-98.8-18.3-179.8-63.6-173.771.900112.8I16 P17 A18 Q22 S23 T24 N77I16-M20 HydrophobicContact CG2-CB 4.22Å; P17-M20 HydrophobicContact CB-CG 4.29Å; P17-M20 HydrophobicContact CG-CG 4.42Å; P17-M20 HydrophobicContact CG-SD 4.05Å; P17-M20 PolarHBondContact O-N 3.11Å; A18-M20 PolarHBondContact O-N 3.02Å; M20-Q22 PolarHBondContact O-N 2.97Å; M20-S23 PolarHBondContact O-N 3.29Å; M20-S23 VanDerWaalsContact O-N 3.15Å; M20-S23 PolarHBondContact O-OG 3.15Å; M20-T24 PolarHBondContact O-N 3.21Å; M20-T24 PolarHBondContact O-OG1 3.08Å; M20-N77 WeakPolarHBondContact CE-ND2 3.21Å; M20-N77 WeakPolarHBondContact CE-OD1 3.46Å
21L91.9Very high91.7Very high3 Ų359.3 Ų59.32%0.01630%0.303CS..Hα-helixtrans-56.3-49.3-165.9-178.659.2000113.1M13 I16 P17 A18 T24 L25 F41 I48M13-L21 HydrophobicContact CE-CD1 3.39Å; M13-L21 HydrophobicContact SD-CD1 3.59Å; M13-L21 VanDerWaalsContact SD-CD1 3.59Å; I16-L21 HydrophobicContact CB-CD1 4.46Å; I16-L21 HydrophobicContact CG2-CB 4.21Å; I16-L21 HydrophobicContact CG2-CD1 4.07Å; P17-L21 PolarHBondContact O-N 2.66Å; P17-L21 VanDerWaalsContact O-N 3.15Å; A18-L21 WeakPolarHBondContact O-CB 3.45Å; A18-L21 PolarHBondContact O-N 3Å; L21-T24 PolarHBondContact O-N 2.96Å; L21-L25 HydrophobicContact CD1-CD1 4.07Å; L21-L25 HydrophobicContact CD1-CG 4.24Å; L21-L25 HydrophobicContact CG-CD1 4.14Å; L21-L25 WeakPolarHBondContact O-CG 3.5Å; L21-L25 PolarHBondContact O-N 2.99Å; L21-F41 HydrophobicContact CD2-CD1 4.32Å; L21-F41 HydrophobicContact CD2-CE1 4.3Å; L21-F41 HydrophobicContact CG-CD1 4.41Å; L21-F41 HydrophobicContact CG-CE1 4.1Å; L21-I48 HydrophobicContact CD2-CD1 4.3Å; L21-I48 HydrophobicContact CD2-CG2 3.88Å
22Q90.9Very high91.2Very high107 Ų10756.4 Ų56.450%0.530%0.3SS..Hα-helixtrans-57.9-52178-175.9177.6500111.3M20 T24 L25 D26 F41M20-Q22 PolarHBondContact O-N 2.97Å; Q22-T24 VanDerWaalsContact C-N 3.3Å; Q22-T24 PolarHBondContact O-N 3.21Å; Q22-L25 PolarHBondContact O-N 3.04Å; Q22-D26 PolarHBondContact O-N 2.92Å; Q22-F41 HydrophobicContact CB-CD1 4.1Å; Q22-F41 HydrophobicContact CB-CD2 4.25Å; Q22-F41 HydrophobicContact CB-CE1 4Å; Q22-F41 HydrophobicContact CB-CE2 4.15Å; Q22-F41 HydrophobicContact CB-CG 4.23Å; Q22-F41 HydrophobicContact CB-CZ 4.02Å; Q22-F41 HydrophobicContact CG-CD2 4.09Å; Q22-F41 HydrophobicContact CG-CE2 3.81Å; Q22-F41 HydrophobicContact CG-CZ 4.04Å
23S92.8Very high90.6Very high50 Ų5058.9 Ų58.935%0.3532%0.321SS..Hα-helixtrans-60.7-36.8-179.273.40000113.4M20 K27M20-S23 PolarHBondContact O-N 3.29Å; M20-S23 VanDerWaalsContact O-N 3.15Å; M20-S23 PolarHBondContact O-OG 3.15Å; S23-K27 WeakPolarHBondContact O-CG 3.42Å; S23-K27 PolarHBondContact O-N 2.93Å
24T93.6Very high90Very high0 Ų066.4 Ų66.40%036%0.356CS..Hα-helixtrans-71.1-40.7177.7-56.10000111.3I16 M20 L21 Q22 D26 K27 W28 L69 I72I16-T24 HydrophobicContact CD1-CG2 4.02Å; M20-T24 PolarHBondContact O-N 3.21Å; M20-T24 PolarHBondContact O-OG1 3.08Å; L21-T24 PolarHBondContact O-N 2.96Å; Q22-T24 VanDerWaalsContact C-N 3.3Å; Q22-T24 PolarHBondContact O-N 3.21Å; T24-D26 VanDerWaalsContact C-N 3.35Å; T24-K27 PolarHBondContact O-N 3.35Å; T24-W28 PolarHBondContact O-N 3.02Å; T24-L69 HydrophobicContact CG2-CD1 3.87Å; T24-I72 HydrophobicContact CG2-CG2 4.12Å
25L92.4Very high89.6Confident2 Ų259 Ų591%0.0133%0.329CS..Hα-helixtrans-67.4-35.1175.8-70.5174.9000112.2L21 Q22 W28 L31 L39 F41 L52 L69L21-L25 HydrophobicContact CD1-CD1 4.07Å; L21-L25 HydrophobicContact CD1-CG 4.24Å; L21-L25 HydrophobicContact CG-CD1 4.14Å; L21-L25 WeakPolarHBondContact O-CG 3.5Å; L21-L25 PolarHBondContact O-N 2.99Å; Q22-L25 PolarHBondContact O-N 3.04Å; L25-W28 HydrophobicContact CD2-CE3 4.03Å; L25-W28 HydrophobicContact CD2-CZ3 4.44Å; L25-W28 WeakPolarHBondContact O-CB 3.27Å; L25-W28 PolarHBondContact O-N 3.04Å; L25-L31 HydrophobicContact CD2-CD1 4.38Å; L25-L39 HydrophobicContact CD1-CD1 4.25Å; L25-F41 HydrophobicContact CD1-CE1 3.91Å; L25-F41 HydrophobicContact CD1-CZ 4.05Å; L25-L52 HydrophobicContact CD2-CD1 4.37Å; L25-L52 HydrophobicContact CD2-CD2 3.99Å; L25-L69 HydrophobicContact CD2-CD1 4.01Å; L25-L69 HydrophobicContact CD2-CD2 4.01Å
26D91.1Very high89Confident68 Ų6857.8 Ų57.836%0.36433%0.325SS..Hα-helixtrans-62.5-43.6175.9-77.7-33.8000112.2Q22 T24 W28 G29 R36Q22-D26 PolarHBondContact O-N 2.92Å; T24-D26 VanDerWaalsContact C-N 3.35Å; D26-W28 VanDerWaalsContact C-N 3.26Å; D26-W28 PolarHBondContact O-N 3.15Å; D26-G29 PolarHBondContact O-N 2.85Å; D26-R36 WeakPolarHBondContact OD1-CD 3.37Å; D26-R36 IonicContact OD1-CZ 2.94Å; D26-R36 IonicContact OD1-NH1 2.85Å; D26-R36 PolarHBondContact OD1-NH1 3.27Å
27K92.1Very high88.5Confident129 Ų12966.5 Ų66.556%0.56136%0.363SS*.Hα-helixtrans-70.4-21.8176.7-71.2172.9179.3170.20113.7S23 T24 G29 I72 E76S23-K27 WeakPolarHBondContact O-CG 3.42Å; S23-K27 PolarHBondContact O-N 2.93Å; T24-K27 PolarHBondContact O-N 3.35Å; K27-G29 VanDerWaalsContact C-N 3.3Å; K27-I72 HydrophobicContact CB-CG2 4.09Å; K27-E76 WeakPolarHBondContact CD-OE1 3.48Å; K27-E76 VanDerWaalsContact CE-OE1 3.26Å; K27-E76 WeakPolarHBondContact CE-OE1 3.36Å; K27-E76 VanDerWaalsContact NZ-CD 3.28Å; K27-E76 IonicContact NZ-OE1 3.19Å; K27-E76 PolarHBondContact NZ-OE1 3.5Å; K27-E76 IonicContact NZ-OE2 3.85Å
28W93.4Very high88.1Confident11 Ų1167.7 Ų67.74%0.04237%0.372CS..Hα-helixtrans-66.2-34.9176.7-172.729.7000112T24 L25 D26 R30 L31 L61 H65 I66 L69 I72T24-W28 PolarHBondContact O-N 3.02Å; L25-W28 HydrophobicContact CD2-CE3 4.03Å; L25-W28 HydrophobicContact CD2-CZ3 4.44Å; L25-W28 WeakPolarHBondContact O-CB 3.27Å; L25-W28 PolarHBondContact O-N 3.04Å; D26-W28 VanDerWaalsContact C-N 3.26Å; D26-W28 PolarHBondContact O-N 3.15Å; W28-R30 HydrophobicContact CD2-CB 3.89Å; W28-R30 HydrophobicContact CD2-CG 4.06Å; W28-R30 HydrophobicContact CE3-CB 4.3Å; W28-R30 HydrophobicContact CG-CB 4.3Å; W28-R30 HydrophobicContact CG-CG 4.13Å; W28-R30 HydrophobicContact CH2-CB 4.48Å; W28-R30 HydrophobicContact CZ2-CB 4.07Å; W28-R30 HydrophobicContact CZ2-CG 4.15Å; W28-R30 VanDerWaalsContact NE1-CG 3.35Å; W28-R30 PolarHBondContact O-N 3.22Å; W28-L31 HydrophobicContact CE3-CD1 4.45Å; W28-L31 HydrophobicContact CE3-CG 4.28Å; W28-L31 HydrophobicContact CZ3-CD1 4.42Å; W28-L31 HydrophobicContact CZ3-CD2 4.41Å; W28-L31 HydrophobicContact CZ3-CG 4.2Å; W28-L61 HydrophobicContact CH2-CD1 3.39Å; W28-L61 HydrophobicContact CZ2-CD1 3.85Å; W28-L61 HydrophobicContact CZ3-CD1 4.21Å; W28-H65 HydrophobicContact CZ2-CB 4.05Å; W28-H65 PolarHBondContact NE1-O 3.14Å; W28-H65 VanDerWaalsContact NE1-O 3.11Å; W28-I66 HydrophobicContact CH2-CD1 4Å; W28-I66 HydrophobicContact CZ2-CD1 4.15Å; W28-L69 HydrophobicContact CB-CD1 3.72Å; W28-L69 HydrophobicContact CD2-CB 3.88Å; W28-L69 HydrophobicContact CD2-CD1 3.93Å; W28-L69 HydrophobicContact CD2-CD2 4.25Å; W28-L69 HydrophobicContact CD2-CG 4.23Å; W28-L69 HydrophobicContact CE3-CB 4.46Å; W28-L69 HydrophobicContact CE3-CD1 4.09Å; W28-L69 HydrophobicContact CE3-CD2 3.99Å; W28-L69 HydrophobicContact CE3-CG 4.41Å; W28-L69 HydrophobicContact CG-CB 4.01Å; W28-L69 HydrophobicContact CG-CD1 3.79Å; W28-L69 HydrophobicContact CG-CG 4.41Å; W28-L69 HydrophobicContact CH2-CD2 4.45Å; W28-L69 HydrophobicContact CZ2-CB 4.32Å; W28-L69 HydrophobicContact CZ3-CD2 4.1Å; W28-I72 HydrophobicContact CB-CD1 4.09Å
29G86.7Confident87.9Confident51 Ų5164.9 Ų64.953%0.52635%0.348SS..  trans649.3171.800000115.4D26 K27D26-G29 PolarHBondContact O-N 2.85Å; K27-G29 VanDerWaalsContact C-N 3.3Å
30R88.3Confident87.8Confident116 Ų11662.4 Ų62.444%0.43833%0.326SS..  trans-91.5-13.6177.6-63.6-56-172.4177.31.2114W28 L61 E68W28-R30 HydrophobicContact CD2-CB 3.89Å; W28-R30 HydrophobicContact CD2-CG 4.06Å; W28-R30 HydrophobicContact CE3-CB 4.3Å; W28-R30 HydrophobicContact CG-CB 4.3Å; W28-R30 HydrophobicContact CG-CG 4.13Å; W28-R30 HydrophobicContact CH2-CB 4.48Å; W28-R30 HydrophobicContact CZ2-CB 4.07Å; W28-R30 HydrophobicContact CZ2-CG 4.15Å; W28-R30 VanDerWaalsContact NE1-CG 3.35Å; W28-R30 PolarHBondContact O-N 3.22Å; R30-L61 HydrophobicContact CB-CD1 4.46Å; R30-E68 IonicContact CZ-OE2 2.68Å; R30-E68 VanDerWaalsContact CZ-OE2 3.27Å; R30-E68 IonicContact NE-OE2 3.13Å; R30-E68 PolarHBondContact NE-OE2 3.18Å; R30-E68 IonicContact NH2-OE1 2.6Å; R30-E68 PolarHBondContact NH2-OE1 3.15Å; R30-E68 VanDerWaalsContact NH2-OE1 3.09Å; R30-E68 IonicContact NH2-OE2 2.74Å; R30-E68 PolarHBondContact NH2-OE2 3.35Å
31L86.1Confident87.5Confident4 Ų463.2 Ų63.22%0.02133%0.328CS..SBendtrans-98.2132.3175.3-59.5173.6000109.3L25 W28 R36 L39 L52L25-L31 HydrophobicContact CD2-CD1 4.38Å; W28-L31 HydrophobicContact CE3-CD1 4.45Å; W28-L31 HydrophobicContact CE3-CG 4.28Å; W28-L31 HydrophobicContact CZ3-CD1 4.42Å; W28-L31 HydrophobicContact CZ3-CD2 4.41Å; W28-L31 HydrophobicContact CZ3-CG 4.2Å; L31-R36 HydrophobicContact CB-CG 3.59Å; L31-R36 HydrophobicContact CD1-CG 4.08Å; L31-R36 PolarHBondContact O-NE 3.33Å; L31-R36 PolarHBondContact O-NH2 3.29Å; L31-L39 HydrophobicContact CD1-CD1 4.35Å; L31-L52 HydrophobicContact CD1-CD1 3.64Å; L31-L52 HydrophobicContact CD2-CD1 4.23Å
32T83.1Confident87.3Confident72 Ų7269.1 Ų69.144%0.44236%0.364SS..  trans-60.6157.917362.10000110.4E34 K35 R36T32-E34 PolarHBondContact O-N 3.25Å; T32-K35 PolarHBondContact O-N 3.31Å; T32-K35 WeakPolarHBondContact OG1-CB 3.44Å; T32-K35 VanDerWaalsContact OG1-CG 3.27Å; T32-K35 WeakPolarHBondContact OG1-CG 3.47Å; T32-K35 PolarHBondContact OG1-N 3.01Å; T32-R36 PolarHBondContact O-N 3.19Å
33A81.7Confident87.2Confident59 Ų5967.4 Ų67.449%0.48836%0.356SS..Hα-helixtrans-59.9-34.7179.700000112R36 K37A33-R36 PolarHBondContact O-N 2.98Å; A33-K37 WeakPolarHBondContact O-CG 3.47Å; A33-K37 PolarHBondContact O-N 3.48Å
34E81.8Confident87.2Confident159 Ų15968 Ų6874%0.74336%0.361SS*.Hα-helixtrans-66.7-50.2177.2-65.5168.1-176.900111.8T32 R36 K37 S38T32-E34 PolarHBondContact O-N 3.25Å; E34-R36 PolarHBondContact O-N 3.17Å; E34-K37 PolarHBondContact O-N 2.75Å; E34-K37 VanDerWaalsContact O-N 3.11Å; E34-S38 PolarHBondContact O-N 3.29Å
35K82.6Confident87.1Confident38 Ų3871.1 Ų71.117%0.16537%0.374CS..Hα-helixtrans-64.1-23.7177.2-69.4-177.2-177.6-150.20113.1T32 S38 L55 E58 S59T32-K35 PolarHBondContact O-N 3.31Å; T32-K35 WeakPolarHBondContact OG1-CB 3.44Å; T32-K35 VanDerWaalsContact OG1-CG 3.27Å; T32-K35 WeakPolarHBondContact OG1-CG 3.47Å; T32-K35 PolarHBondContact OG1-N 3.01Å; K35-S38 WeakPolarHBondContact CA-OG 3.42Å; K35-S38 PolarHBondContact O-OG 3.47Å; K35-L55 HydrophobicContact CB-CD1 4.34Å; K35-L55 HydrophobicContact CB-CD2 4.1Å; K35-L55 HydrophobicContact CD-CD2 3.99Å; K35-L55 HydrophobicContact CG-CD2 3.91Å; K35-E58 IonicContact NZ-OE1 2.81Å; K35-E58 PolarHBondContact NZ-OE1 3.35Å; K35-E58 IonicContact NZ-OE2 2.77Å; K35-E58 PolarHBondContact NZ-OE2 2.64Å; K35-S59 PolarHBondContact NZ-OG 2.99Å; K35-S59 VanDerWaalsContact NZ-OG 3.08Å
36R81.3Confident87Confident67 Ų6776.2 Ų76.225%0.25340%0.401SS..Hα-helixtrans-78.7-40.2172.5-78.5-173.8-83.8163.4-7.8112.5D26 L31 T32 A33 E34 S38 L39D26-R36 WeakPolarHBondContact OD1-CD 3.37Å; D26-R36 IonicContact OD1-CZ 2.94Å; D26-R36 IonicContact OD1-NH1 2.85Å; D26-R36 PolarHBondContact OD1-NH1 3.27Å; L31-R36 HydrophobicContact CB-CG 3.59Å; L31-R36 HydrophobicContact CD1-CG 4.08Å; L31-R36 PolarHBondContact O-NE 3.33Å; L31-R36 PolarHBondContact O-NH2 3.29Å; T32-R36 PolarHBondContact O-N 3.19Å; A33-R36 PolarHBondContact O-N 2.98Å; E34-R36 PolarHBondContact O-N 3.17Å; R36-S38 PolarHBondContact O-N 2.94Å; R36-L39 PolarHBondContact O-N 3.3Å
37K81.8Confident87.1Confident184 Ų18475.1 Ų75.180%0.840%0.397SS*.Hα-helixtrans-67.3-26.8176.5-75.4178.7-179.9-176.10112.6A33 E34 L39A33-K37 WeakPolarHBondContact O-CG 3.47Å; A33-K37 PolarHBondContact O-N 3.48Å; E34-K37 PolarHBondContact O-N 2.75Å; E34-K37 VanDerWaalsContact O-N 3.11Å; K37-L39 VanDerWaalsContact C-N 3.26Å; K37-L39 PolarHBondContact O-N 3.01Å
38S84.7Confident87.1Confident75 Ų7569.2 Ų69.252%0.52437%0.371SS..THydrogen-bonded Turntrans-73.1-16.9175.363.80000113.6E34 K35 R36 D40E34-S38 PolarHBondContact O-N 3.29Å; K35-S38 WeakPolarHBondContact CA-OG 3.42Å; K35-S38 PolarHBondContact O-OG 3.47Å; R36-S38 PolarHBondContact O-N 2.94Å; S38-D40 PolarHBondContact O-N 2.94Å
39L86.5Confident87.1Confident8 Ų869.3 Ų69.34%0.04237%0.373CS..  trans-80117.3176.1-68.5173.6000109.9L25 L31 R36 K37 F41 E51 L52 L55L25-L39 HydrophobicContact CD1-CD1 4.25Å; L31-L39 HydrophobicContact CD1-CD1 4.35Å; R36-L39 PolarHBondContact O-N 3.3Å; K37-L39 VanDerWaalsContact C-N 3.26Å; K37-L39 PolarHBondContact O-N 3.01Å; L39-F41 HydrophobicContact CB-CE2 4.03Å; L39-F41 HydrophobicContact CB-CZ 4.03Å; L39-F41 HydrophobicContact CD1-CZ 4.25Å; L39-F41 WeakPolarHBondContact O-CD2 2.93Å; L39-F41 PolarHBondContact O-N 3.34Å; L39-E51 HydrophobicContact CD2-CB 3.71Å; L39-E51 WeakPolarHBondContact CD2-OE2 3.37Å; L39-L52 HydrophobicContact CD1-CD1 4.37Å; L39-L55 HydrophobicContact CD1-CD1 4.33Å; L39-L55 HydrophobicContact CD2-CD1 3.86Å; L39-L55 HydrophobicContact CG-CD1 4.08Å
40D87.7Confident87.4Confident62 Ų6272.5 Ų72.533%0.33237%0.374SS..  trans-8999.1175.5-1794.8000110.7S38 T42 Q43S38-D40 PolarHBondContact O-N 2.94Å; D40-T42 PolarHBondContact O-N 3.11Å; D40-T42 VanDerWaalsContact O-N 3.17Å; D40-T42 VanDerWaalsContact OD1-CB 3.29Å; D40-T42 WeakPolarHBondContact OD1-CB 3.25Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.28Å; D40-T42 PolarHBondContact OD1-N 3.41Å; D40-T42 PolarHBondContact OD1-OG1 2.86Å; D40-T42 PolarHBondContact OD2-OG1 2.74Å; D40-T42 VanDerWaalsContact OD2-OG1 3.14Å; D40-Q43 HydrophobicContact CB-CG 3.87Å; D40-Q43 WeakPolarHBondContact O-CB 3.29Å; D40-Q43 PolarHBondContact O-N 2.73Å; D40-Q43 VanDerWaalsContact O-N 3.15Å; D40-Q43 WeakPolarHBondContact OD2-CG 3.33Å; D40-Q43 PolarHBondContact OD2-NE2 3.36Å
41F87.5Confident87.6Confident63 Ų6369.7 Ų69.728%0.27637%0.366SS..THydrogen-bonded Turntrans-70.2-5179.4-64.6-78.4000114.2L21 Q22 L25 L39 Q43 I48L21-F41 HydrophobicContact CD2-CD1 4.32Å; L21-F41 HydrophobicContact CD2-CE1 4.3Å; L21-F41 HydrophobicContact CG-CD1 4.41Å; L21-F41 HydrophobicContact CG-CE1 4.1Å; Q22-F41 HydrophobicContact CB-CD1 4.1Å; Q22-F41 HydrophobicContact CB-CD2 4.25Å; Q22-F41 HydrophobicContact CB-CE1 4Å; Q22-F41 HydrophobicContact CB-CE2 4.15Å; Q22-F41 HydrophobicContact CB-CG 4.23Å; Q22-F41 HydrophobicContact CB-CZ 4.02Å; Q22-F41 HydrophobicContact CG-CD2 4.09Å; Q22-F41 HydrophobicContact CG-CE2 3.81Å; Q22-F41 HydrophobicContact CG-CZ 4.04Å; L25-F41 HydrophobicContact CD1-CE1 3.91Å; L25-F41 HydrophobicContact CD1-CZ 4.05Å; L39-F41 HydrophobicContact CB-CE2 4.03Å; L39-F41 HydrophobicContact CB-CZ 4.03Å; L39-F41 HydrophobicContact CD1-CZ 4.25Å; L39-F41 WeakPolarHBondContact O-CD2 2.93Å; L39-F41 PolarHBondContact O-N 3.34Å; F41-Q43 VanDerWaalsContact C-N 3.28Å; F41-I48 HydrophobicContact CD1-CD1 4.37Å
42T86.9Confident87.9Confident127 Ų12769.5 Ų69.578%0.77937%0.365SS*.THydrogen-bonded Turntrans-78.6-16.9171.8740000112.4D40D40-T42 PolarHBondContact O-N 3.11Å; D40-T42 VanDerWaalsContact O-N 3.17Å; D40-T42 VanDerWaalsContact OD1-CB 3.29Å; D40-T42 WeakPolarHBondContact OD1-CB 3.25Å; D40-T42 WeakPolarHBondContact OD1-CG2 3.28Å; D40-T42 PolarHBondContact OD1-N 3.41Å; D40-T42 PolarHBondContact OD1-OG1 2.86Å; D40-T42 PolarHBondContact OD2-OG1 2.74Å; D40-T42 VanDerWaalsContact OD2-OG1 3.14Å
43Q90Very high88.4Confident71 Ų7166.5 Ų66.533%0.33235%0.346SS..SBendtrans-77.4173.5-178.7-61.5-175.8400113.2D40 F41 I48 E51D40-Q43 HydrophobicContact CB-CG 3.87Å; D40-Q43 WeakPolarHBondContact O-CB 3.29Å; D40-Q43 PolarHBondContact O-N 2.73Å; D40-Q43 VanDerWaalsContact O-N 3.15Å; D40-Q43 WeakPolarHBondContact OD2-CG 3.33Å; D40-Q43 PolarHBondContact OD2-NE2 3.36Å; F41-Q43 VanDerWaalsContact C-N 3.28Å; Q43-I48 HydrophobicContact CB-CG1 4.39Å; Q43-E51 PolarHBondContact OE1-OE1 3.26Å
44S91.5Very high88.9Confident63 Ų6366.2 Ų66.244%0.44134%0.344SS..  trans-61.6144.517490.80000111.3L46 T47 I48S44-L46 PolarHBondContact O-N 2.98Å; S44-L46 VanDerWaalsContact O-N 3.08Å; S44-L46 PolarHBondContact OG-N 3.46Å; S44-T47 PolarHBondContact O-N 3.01Å; S44-T47 PolarHBondContact OG-N 3.11Å; S44-T47 PolarHBondContact OG-OG1 2.92Å; S44-I48 PolarHBondContact O-N 3.37Å; S44-I48 VanDerWaalsContact O-N 3.11Å
45K91.3Very high89.3Confident65 Ų6559.7 Ų59.728%0.28331%0.314SS..Hα-helixtrans-55.7-28.9174.6-74.8-17565.3177.30113.2M13 R14 I16 A18 T49M13-K45 WeakPolarHBondContact O-CE 3.38Å; M13-K45 PolarHBondContact O-NZ 2.9Å; R14-K45 PolarHBondContact O-NZ 3.15Å; I16-K45 WeakPolarHBondContact O-CE 3.41Å; I16-K45 PolarHBondContact O-NZ 3.38Å; A18-K45 HydrophobicContact CB-CD 4.26Å; A18-K45 HydrophobicContact CB-CG 4.41Å; K45-T49 WeakPolarHBondContact O-CB 3.4Å; K45-T49 PolarHBondContact O-N 3.39Å; K45-T49 PolarHBondContact O-OG1 3.39Å
46L91.2Very high89.7Confident109 Ų10957.9 Ų57.957%0.57131%0.306SS*.Hα-helixtrans-67.4-46177.9-178.764.1000110.7S44 T49 Q50S44-L46 PolarHBondContact O-N 2.98Å; S44-L46 VanDerWaalsContact O-N 3.08Å; S44-L46 PolarHBondContact OG-N 3.46Å; L46-T49 WeakPolarHBondContact O-CB 3.33Å; L46-T49 PolarHBondContact O-N 3.22Å; L46-Q50 WeakPolarHBondContact O-CG 3.37Å; L46-Q50 PolarHBondContact O-N 3.18Å
47T92.4Very high90.2Very high45 Ų4558.4 Ų58.428%0.27631%0.312SS..Hα-helixtrans-61.8-49.6178.1-41.40000110.7S44 T49 Q50 E51S44-T47 PolarHBondContact O-N 3.01Å; S44-T47 PolarHBondContact OG-N 3.11Å; S44-T47 PolarHBondContact OG-OG1 2.92Å; T47-T49 PolarHBondContact O-N 2.95Å; T47-Q50 WeakPolarHBondContact O-CB 3.39Å; T47-Q50 PolarHBondContact O-N 3.13Å; T47-E51 PolarHBondContact O-N 2.85Å
48I92.5Very high90.6Very high4 Ų456 Ų562%0.02130%0.303CS..Hα-helixtrans-57.8-38.3176.3-59.7165.7000111.1L21 F41 Q43 S44 L52L21-I48 HydrophobicContact CD2-CD1 4.3Å; L21-I48 HydrophobicContact CD2-CG2 3.88Å; F41-I48 HydrophobicContact CD1-CD1 4.37Å; Q43-I48 HydrophobicContact CB-CG1 4.39Å; S44-I48 PolarHBondContact O-N 3.37Å; S44-I48 VanDerWaalsContact O-N 3.11Å; I48-L52 WeakPolarHBondContact O-CB 3.46Å; I48-L52 PolarHBondContact O-N 3.35Å
49T93.7Very high90.7Very high13 Ų1354.3 Ų54.38%0.0829%0.291CS..Hα-helixtrans-65.2-40.4176.9-59.80000111.7Q10 M13 K45 L46 T47 V53Q10-T49 HydrophobicContact CB-CG2 4.34Å; Q10-T49 HydrophobicContact CG-CG2 3.84Å; M13-T49 HydrophobicContact CB-CG2 4.12Å; M13-T49 VanDerWaalsContact CB-OG1 3.25Å; M13-T49 WeakPolarHBondContact CB-OG1 3.43Å; M13-T49 HydrophobicContact CG-CG2 4.07Å; K45-T49 WeakPolarHBondContact O-CB 3.4Å; K45-T49 PolarHBondContact O-N 3.39Å; K45-T49 PolarHBondContact O-OG1 3.39Å; L46-T49 WeakPolarHBondContact O-CB 3.33Å; L46-T49 PolarHBondContact O-N 3.22Å; T47-T49 PolarHBondContact O-N 2.95Å; T49-V53 WeakPolarHBondContact O-CB 3.46Å; T49-V53 WeakPolarHBondContact O-CG2 3.35Å; T49-V53 PolarHBondContact O-N 3.02Å
50Q93Very high90.8Very high118 Ų11861.6 Ų61.655%0.55133%0.325SS*.Hα-helixtrans-66.8-45.7178.6-71.3169.6-21.500111.2L46 T47 V53 A54L46-Q50 WeakPolarHBondContact O-CG 3.37Å; L46-Q50 PolarHBondContact O-N 3.18Å; T47-Q50 WeakPolarHBondContact O-CB 3.39Å; T47-Q50 PolarHBondContact O-N 3.13Å; Q50-V53 PolarHBondContact O-N 3.5Å; Q50-A54 PolarHBondContact O-N 2.92Å
51E92.7Very high91Very high58 Ų5859.2 Ų59.227%0.27131%0.312SS..Hα-helixtrans-60.1-46.7174.9-68.9177.9177.400111.3L39 Q43 T47 V53 A54 L55L39-E51 HydrophobicContact CD2-CB 3.71Å; L39-E51 WeakPolarHBondContact CD2-OE2 3.37Å; Q43-E51 PolarHBondContact OE1-OE1 3.26Å; T47-E51 PolarHBondContact O-N 2.85Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.14Å; E51-A54 WeakPolarHBondContact O-CB 3.48Å; E51-A54 PolarHBondContact O-N 2.89Å; E51-A54 VanDerWaalsContact O-N 3.13Å; E51-L55 WeakPolarHBondContact O-CG 3.42Å; E51-L55 PolarHBondContact O-N 3.01Å
52L92.4Very high91.2Very high0 Ų059.2 Ų59.20%032%0.318CS..Hα-helixtrans-62.7-39.2178.8-17364.5000111.8L9 M13 L25 L31 L39 I48 A54 L55 C56L9-L52 HydrophobicContact CD1-CD2 3.76Å; L9-L52 HydrophobicContact CD1-CG 4.44Å; L9-L52 HydrophobicContact CD2-CD2 4.34Å; L9-L52 HydrophobicContact CD2-CG 4.17Å; L9-L52 HydrophobicContact CG-CD2 4.37Å; M13-L52 HydrophobicContact CE-CD2 4.32Å; M13-L52 HydrophobicContact CG-CD2 4.23Å; M13-L52 HydrophobicContact SD-CD2 3.42Å; M13-L52 WeakPolarHBondContact SD-CD2 3.36Å; L25-L52 HydrophobicContact CD2-CD1 4.37Å; L25-L52 HydrophobicContact CD2-CD2 3.99Å; L31-L52 HydrophobicContact CD1-CD1 3.64Å; L31-L52 HydrophobicContact CD2-CD1 4.23Å; L39-L52 HydrophobicContact CD1-CD1 4.37Å; I48-L52 WeakPolarHBondContact O-CB 3.46Å; I48-L52 PolarHBondContact O-N 3.35Å; L52-A54 VanDerWaalsContact C-N 3.35Å; L52-L55 PolarHBondContact O-N 2.95Å; L52-C56 VanDerWaalsContact O-CB 3.29Å; L52-C56 WeakPolarHBondContact O-CB 3.47Å; L52-C56 PolarHBondContact O-N 3.48Å; L52-C56 PolarHBondContact O-SG 3.43Å
53V92.9Very high91.5Very high8 Ų854.2 Ų54.25%0.04829%0.287CS..Hα-helixtrans-59.9-46173.7165.30000110.8K6 L9 T49 Q50 E51 C56 E57K6-V53 HydrophobicContact CD-CG1 4.06Å; K6-V53 HydrophobicContact CG-CG1 4.11Å; K6-V53 HydrophobicContact CG-CG2 4.3Å; L9-V53 HydrophobicContact CD2-CG2 3.89Å; T49-V53 WeakPolarHBondContact O-CB 3.46Å; T49-V53 WeakPolarHBondContact O-CG2 3.35Å; T49-V53 PolarHBondContact O-N 3.02Å; Q50-V53 PolarHBondContact O-N 3.5Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.14Å; V53-C56 PolarHBondContact O-N 3.41Å; V53-E57 HydrophobicContact CG1-CG 4.43Å; V53-E57 WeakPolarHBondContact CG1-OE1 3.37Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 WeakPolarHBondContact O-CG 3.31Å; V53-E57 PolarHBondContact O-N 3.29Å
54A92Very high91.6Very high53 Ų5358.4 Ų58.444%0.43830%0.304SS..Hα-helixtrans-61.7-46.5178.100000111.9Q50 E51 L52 C56 E57 E58Q50-A54 PolarHBondContact O-N 2.92Å; E51-A54 WeakPolarHBondContact O-CB 3.48Å; E51-A54 PolarHBondContact O-N 2.89Å; E51-A54 VanDerWaalsContact O-N 3.13Å; L52-A54 VanDerWaalsContact C-N 3.35Å; A54-C56 VanDerWaalsContact C-N 3.28Å; A54-C56 PolarHBondContact O-N 2.96Å; A54-E57 WeakPolarHBondContact O-CB 3.42Å; A54-E57 PolarHBondContact O-N 3.35Å; A54-E57 VanDerWaalsContact O-N 3.15Å; A54-E58 PolarHBondContact O-N 3.34Å
55L91.3Very high91.7Very high22 Ų2257.6 Ų57.612%0.11529%0.293CS..Hα-helixtrans-60.7-38.4177-68.9173.6000112.5K35 L39 E51 L52 S59K35-L55 HydrophobicContact CB-CD1 4.34Å; K35-L55 HydrophobicContact CB-CD2 4.1Å; K35-L55 HydrophobicContact CD-CD2 3.99Å; K35-L55 HydrophobicContact CG-CD2 3.91Å; L39-L55 HydrophobicContact CD1-CD1 4.33Å; L39-L55 HydrophobicContact CD2-CD1 3.86Å; L39-L55 HydrophobicContact CG-CD1 4.08Å; E51-L55 WeakPolarHBondContact O-CG 3.42Å; E51-L55 PolarHBondContact O-N 3.01Å; L52-L55 PolarHBondContact O-N 2.95Å; L55-S59 WeakPolarHBondContact O-CB 3.22Å; L55-S59 PolarHBondContact O-N 3.01Å; L55-S59 PolarHBondContact O-OG 3.37Å
56C90.9Very high91.9Very high0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-76.9-27.4178.8-630000112.4M1 L9 L52 V53 A54 E60 L61M1-C56 HydrophobicContact CE-CB 3Å; L9-C56 HydrophobicContact CD2-CB 4.45Å; L52-C56 VanDerWaalsContact O-CB 3.29Å; L52-C56 WeakPolarHBondContact O-CB 3.47Å; L52-C56 PolarHBondContact O-N 3.48Å; L52-C56 PolarHBondContact O-SG 3.43Å; V53-C56 PolarHBondContact O-N 3.41Å; A54-C56 VanDerWaalsContact C-N 3.28Å; A54-C56 PolarHBondContact O-N 2.96Å; C56-E60 PolarHBondContact O-N 3.04Å; C56-L61 HydrophobicContact CB-CB 4.16Å; C56-L61 HydrophobicContact CB-CD1 3.94Å; C56-L61 HydrophobicContact CB-CG 4.23Å; C56-L61 PolarHBondContact O-N 2.6Å
57E91.2Very high92Very high79 Ų7949.8 Ų49.837%0.36926%0.256SS..Hα-helixtrans-67.7-45.5170.2-78.8171.5-174.400110.7M1 K6 V53 A54 S59 E60M1-E57 HydrophobicContact CB-CG 3.63Å; K6-E57 IonicContact NZ-OE1 2.92Å; K6-E57 PolarHBondContact NZ-OE1 3.47Å; V53-E57 HydrophobicContact CG1-CG 4.43Å; V53-E57 WeakPolarHBondContact CG1-OE1 3.37Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 WeakPolarHBondContact O-CG 3.31Å; V53-E57 PolarHBondContact O-N 3.29Å; A54-E57 WeakPolarHBondContact O-CB 3.42Å; A54-E57 PolarHBondContact O-N 3.35Å; A54-E57 VanDerWaalsContact O-N 3.15Å; E57-S59 VanDerWaalsContact C-N 3.33Å; E57-S59 PolarHBondContact O-N 3.47Å; E57-E60 PolarHBondContact O-N 3.01Å
58E90Very high92.2Very high132 Ų13249.9 Ų49.962%0.61725%0.253SS*.Hα-helixtrans-63.3-37176-166.7-153.7146.700112.5K35 A54 E60K35-E58 IonicContact NZ-OE1 2.81Å; K35-E58 PolarHBondContact NZ-OE1 3.35Å; K35-E58 IonicContact NZ-OE2 2.77Å; K35-E58 PolarHBondContact NZ-OE2 2.64Å; A54-E58 PolarHBondContact O-N 3.34Å; E58-E60 VanDerWaalsContact C-N 3.29Å; E58-E60 PolarHBondContact O-N 3.26Å
59S87.5Confident92.3Very high40 Ų4049.7 Ų49.728%0.2825%0.252SS..THydrogen-bonded Turntrans-91.612.9-179.5-43.80000113.1K35 L55 E57 L61K35-S59 PolarHBondContact NZ-OG 2.99Å; K35-S59 VanDerWaalsContact NZ-OG 3.08Å; L55-S59 WeakPolarHBondContact O-CB 3.22Å; L55-S59 PolarHBondContact O-N 3.01Å; L55-S59 PolarHBondContact O-OG 3.37Å; E57-S59 VanDerWaalsContact C-N 3.33Å; E57-S59 PolarHBondContact O-N 3.47Å; S59-L61 WeakPolarHBondContact O-CD2 3.42Å; S59-L61 PolarHBondContact O-N 2.9Å; S59-L61 VanDerWaalsContact O-N 3.11Å
60E88.9Confident92.4Very high161 Ų16150.3 Ų50.375%0.75225%0.254SS*.THydrogen-bonded Turntrans49.637.3178.2-59.2-171.2169.200115C56 E57 E58 T62C56-E60 PolarHBondContact O-N 3.04Å; E57-E60 PolarHBondContact O-N 3.01Å; E58-E60 VanDerWaalsContact C-N 3.29Å; E58-E60 PolarHBondContact O-N 3.26Å; E60-T62 PolarHBondContact O-N 3.22Å
61L91.1Very high92.5Very high12 Ų1245 Ų456%0.06323%0.229CC..  trans-70.9131.3-175.7-59-172.3000111.7M1 W28 R30 C56 S59 H65M1-L61 HydrophobicContact CE-CB 4.48Å; W28-L61 HydrophobicContact CH2-CD1 3.39Å; W28-L61 HydrophobicContact CZ2-CD1 3.85Å; W28-L61 HydrophobicContact CZ3-CD1 4.21Å; R30-L61 HydrophobicContact CB-CD1 4.46Å; C56-L61 HydrophobicContact CB-CB 4.16Å; C56-L61 HydrophobicContact CB-CD1 3.94Å; C56-L61 HydrophobicContact CB-CG 4.23Å; C56-L61 PolarHBondContact O-N 2.6Å; S59-L61 WeakPolarHBondContact O-CD2 3.42Å; S59-L61 PolarHBondContact O-N 2.9Å; S59-L61 VanDerWaalsContact O-N 3.11Å; L61-H65 HydrophobicContact CB-CB 4.25Å; L61-H65 HydrophobicContact CD2-CB 4.44Å
62T91.9Very high92.6Very high64 Ų6442.9 Ų42.939%0.39322%0.219SC..  trans-92.9170-178.270.70000112.2E60 K64 H65 I66E60-T62 PolarHBondContact O-N 3.22Å; T62-K64 PolarHBondContact O-N 3.31Å; T62-K64 VanDerWaalsContact O-N 3.13Å; T62-K64 PolarHBondContact OG1-N 3.39Å; T62-H65 PolarHBondContact N-ND1 3.29Å; T62-H65 VanDerWaalsContact N-ND1 3.18Å; T62-H65 WeakPolarHBondContact O-CB 2.81Å; T62-H65 PolarHBondContact O-N 3.09Å; T62-I66 PolarHBondContact O-N 3.09Å
63V92.3Very high92.7Very high22 Ų2243 Ų4313%0.13322%0.22CC..Hα-helixtrans-50.9-36.9171176.30000111.5L4 A5 L8 H65 I66 T67L4-V63 HydrophobicContact CB-CG2 4.38Å; L4-V63 HydrophobicContact CD2-CG2 4.27Å; L4-V63 HydrophobicContact CG-CG2 4.27Å; A5-V63 HydrophobicContact CB-CG2 3.73Å; L8-V63 HydrophobicContact CD1-CG1 3.87Å; V63-H65 VanDerWaalsContact C-N 3.3Å; V63-H65 PolarHBondContact O-N 2.79Å; V63-I66 PolarHBondContact O-N 2.95Å; V63-T67 HydrophobicContact CG1-CG2 4.2Å; V63-T67 WeakPolarHBondContact O-CG2 3.26Å; V63-T67 PolarHBondContact O-N 3.45Å; V63-T67 PolarHBondContact O-OG1 2.79Å
64K92.3Very high92.7Very high158 Ų15842.8 Ų42.869%0.68722%0.219SC*.Hα-helixtrans-58.8-42.6178.4-66.5-178.3-180175.50111.4T62 T67 E68 K121T62-K64 PolarHBondContact O-N 3.31Å; T62-K64 VanDerWaalsContact O-N 3.13Å; T62-K64 PolarHBondContact OG1-N 3.39Å; K64-T67 PolarHBondContact O-N 3.08Å; K64-T67 PolarHBondContact O-OG1 2.77Å; K64-E68 PolarHBondContact O-N 3Å; K64-K121 PolarHBondContact O-NZ 2.91Å
65H94.1Very high92.8Very high46 Ų4641.3 Ų41.321%0.21320%0.204CC..Hα-helixtrans-68.1-42.4177.4-54.9142000111.6W28 L61 T62 V63 T67 E68 L69W28-H65 HydrophobicContact CZ2-CB 4.05Å; W28-H65 PolarHBondContact NE1-O 3.14Å; W28-H65 VanDerWaalsContact NE1-O 3.11Å; L61-H65 HydrophobicContact CB-CB 4.25Å; L61-H65 HydrophobicContact CD2-CB 4.44Å; T62-H65 PolarHBondContact N-ND1 3.29Å; T62-H65 VanDerWaalsContact N-ND1 3.18Å; T62-H65 WeakPolarHBondContact O-CB 2.81Å; T62-H65 PolarHBondContact O-N 3.09Å; V63-H65 VanDerWaalsContact C-N 3.3Å; V63-H65 PolarHBondContact O-N 2.79Å; H65-T67 VanDerWaalsContact C-N 3.29Å; H65-T67 PolarHBondContact O-N 2.96Å; H65-E68 WeakPolarHBondContact O-CA 3.23Å; H65-E68 VanDerWaalsContact O-CB 3.23Å; H65-E68 WeakPolarHBondContact O-CB 3.23Å; H65-E68 PolarHBondContact O-N 3.24Å; H65-L69 PolarHBondContact O-N 2.93Å
66I94.9Very high92.9Very high3 Ų342.9 Ų42.92%0.01521%0.211CC..Hα-helixtrans-63.4-37.1178.2-53.3-51000111.4M1 A5 L8 L9 W28 T62 V63 E68 L69 E70M1-I66 HydrophobicContact CE-CD1 4.35Å; A5-I66 HydrophobicContact CB-CG1 4.05Å; L8-I66 HydrophobicContact CB-CG2 3.85Å; L9-I66 HydrophobicContact CB-CD1 4.39Å; L9-I66 HydrophobicContact CB-CG2 4.2Å; L9-I66 HydrophobicContact CD1-CD1 4.32Å; L9-I66 HydrophobicContact CD2-CD1 4.35Å; W28-I66 HydrophobicContact CH2-CD1 4Å; W28-I66 HydrophobicContact CZ2-CD1 4.15Å; T62-I66 PolarHBondContact O-N 3.09Å; V63-I66 PolarHBondContact O-N 2.95Å; I66-E68 PolarHBondContact O-N 3.43Å; I66-L69 WeakPolarHBondContact O-CB 3.37Å; I66-L69 PolarHBondContact O-N 3.27Å; I66-E70 PolarHBondContact O-N 3.19Å
67T94.9Very high93Very high7 Ų744.2 Ų44.24%0.04322%0.218CC..Hα-helixtrans-70-17.2173670000113.5V63 K64 H65 M71 K121V63-T67 HydrophobicContact CG1-CG2 4.2Å; V63-T67 WeakPolarHBondContact O-CG2 3.26Å; V63-T67 PolarHBondContact O-N 3.45Å; V63-T67 PolarHBondContact O-OG1 2.79Å; K64-T67 PolarHBondContact O-N 3.08Å; K64-T67 PolarHBondContact O-OG1 2.77Å; H65-T67 VanDerWaalsContact C-N 3.29Å; H65-T67 PolarHBondContact O-N 2.96Å; T67-M71 VanDerWaalsContact O-CB 3.25Å; T67-M71 WeakPolarHBondContact O-CB 3.35Å; T67-M71 PolarHBondContact O-N 2.98Å; T67-M71 VanDerWaalsContact O-N 3.14Å; T67-K121 PolarHBondContact OG1-NZ 2.84Å
68E95.1Very high93.1Very high48 Ų4841.6 Ų41.622%0.22421%0.208CC..Hα-helixtrans-68.2-49.1168.6-63.5174.3172.700109.6R30 K64 H65 I66 E70 M71 I72 K121R30-E68 IonicContact CZ-OE2 2.68Å; R30-E68 VanDerWaalsContact CZ-OE2 3.27Å; R30-E68 IonicContact NE-OE2 3.13Å; R30-E68 PolarHBondContact NE-OE2 3.18Å; R30-E68 IonicContact NH2-OE1 2.6Å; R30-E68 PolarHBondContact NH2-OE1 3.15Å; R30-E68 VanDerWaalsContact NH2-OE1 3.09Å; R30-E68 IonicContact NH2-OE2 2.74Å; R30-E68 PolarHBondContact NH2-OE2 3.35Å; K64-E68 PolarHBondContact O-N 3Å; H65-E68 WeakPolarHBondContact O-CA 3.23Å; H65-E68 VanDerWaalsContact O-CB 3.23Å; H65-E68 WeakPolarHBondContact O-CB 3.23Å; H65-E68 PolarHBondContact O-N 3.24Å; I66-E68 PolarHBondContact O-N 3.43Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.11Å; E68-M71 PolarHBondContact O-N 3.31Å; E68-I72 WeakPolarHBondContact O-CG1 3.38Å; E68-I72 PolarHBondContact O-N 3.05Å; E68-K121 VanDerWaalsContact CA-NZ 3.29Å
69L95.5Very high93.2Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-59.6-44.6177.7-175.962.7000111.6L9 L12 M13 T24 L25 W28 H65 I66 M71 I72 Y73L9-L69 HydrophobicContact CD1-CD2 4.04Å; L12-L69 HydrophobicContact CD2-CB 3.96Å; L12-L69 HydrophobicContact CD2-CD2 3.78Å; L12-L69 HydrophobicContact CD2-CG 3.61Å; M13-L69 HydrophobicContact CE-CD2 4.31Å; T24-L69 HydrophobicContact CG2-CD1 3.87Å; L25-L69 HydrophobicContact CD2-CD1 4.01Å; L25-L69 HydrophobicContact CD2-CD2 4.01Å; W28-L69 HydrophobicContact CB-CD1 3.72Å; W28-L69 HydrophobicContact CD2-CB 3.88Å; W28-L69 HydrophobicContact CD2-CD1 3.93Å; W28-L69 HydrophobicContact CD2-CD2 4.25Å; W28-L69 HydrophobicContact CD2-CG 4.23Å; W28-L69 HydrophobicContact CE3-CB 4.46Å; W28-L69 HydrophobicContact CE3-CD1 4.09Å; W28-L69 HydrophobicContact CE3-CD2 3.99Å; W28-L69 HydrophobicContact CE3-CG 4.41Å; W28-L69 HydrophobicContact CG-CB 4.01Å; W28-L69 HydrophobicContact CG-CD1 3.79Å; W28-L69 HydrophobicContact CG-CG 4.41Å; W28-L69 HydrophobicContact CH2-CD2 4.45Å; W28-L69 HydrophobicContact CZ2-CB 4.32Å; W28-L69 HydrophobicContact CZ3-CD2 4.1Å; H65-L69 PolarHBondContact O-N 2.93Å; I66-L69 WeakPolarHBondContact O-CB 3.37Å; I66-L69 PolarHBondContact O-N 3.27Å; L69-M71 VanDerWaalsContact C-N 3.32Å; L69-M71 PolarHBondContact O-N 3.23Å; L69-I72 PolarHBondContact O-N 2.77Å; L69-Y73 PolarHBondContact O-N 3.34Å; L69-Y73 VanDerWaalsContact O-N 3.09Å
70E94.8Very high93.2Very high26 Ų2639.9 Ų39.912%0.12120%0.198CC..Hα-helixtrans-59.8-44.2175.9-173.2-174.8-145.800111.5L12 I66 E68 I72 Y73 V74 R133 Y150L12-E70 HydrophobicContact CD1-CB 4.32Å; L12-E70 HydrophobicContact CD1-CG 4.26Å; L12-E70 HydrophobicContact CD2-CB 3.95Å; I66-E70 PolarHBondContact O-N 3.19Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-E70 PolarHBondContact O-N 3.11Å; E70-I72 PolarHBondContact O-N 3.47Å; E70-Y73 PolarHBondContact O-N 3.48Å; E70-V74 HydrophobicContact CG-CG2 4.5Å; E70-V74 WeakPolarHBondContact O-CG2 3.37Å; E70-V74 PolarHBondContact O-N 3.36Å; E70-R133 IonicContact OE2-CZ 3.71Å; E70-R133 IonicContact OE2-NE 3.27Å; E70-R133 PolarHBondContact OE2-NE 2.59Å; E70-R133 IonicContact OE2-NH2 2.77Å; E70-R133 PolarHBondContact OE2-NH2 2.87Å; E70-Y150 WeakPolarHBondContact CG-OH 3.41Å; E70-Y150 PolarHBondContact OE1-OH 3.36Å; E70-Y150 PolarHBondContact OE2-OH 2.87Å; E70-Y150 VanDerWaalsContact OE2-OH 3.11Å
71M95Very high93.2Very high5 Ų533.7 Ų33.73%0.02518%0.177CC..Hα-helixtrans-65.6-39.1-178.8-168174.5-175.500111.8T67 E68 L69 V74 T75 K121 K123 W131T67-M71 VanDerWaalsContact O-CB 3.25Å; T67-M71 WeakPolarHBondContact O-CB 3.35Å; T67-M71 PolarHBondContact O-N 2.98Å; T67-M71 VanDerWaalsContact O-N 3.14Å; E68-M71 PolarHBondContact O-N 3.31Å; L69-M71 VanDerWaalsContact C-N 3.32Å; L69-M71 PolarHBondContact O-N 3.23Å; M71-V74 PolarHBondContact O-N 2.99Å; M71-T75 HydrophobicContact CG-CG2 4.49Å; M71-T75 VanDerWaalsContact O-CG2 3.25Å; M71-T75 WeakPolarHBondContact O-CG2 3.5Å; M71-T75 PolarHBondContact O-N 3.41Å; M71-T75 PolarHBondContact O-OG1 3.39Å; M71-T75 VanDerWaalsContact O-OG1 3.05Å; M71-K121 HydrophobicContact SD-CD 3.85Å; M71-K121 HydrophobicContact SD-CG 3.97Å; M71-K123 HydrophobicContact CE-CB 3.53Å; M71-K123 HydrophobicContact SD-CB 4.12Å; M71-W131 HydrophobicContact CE-CB 3.49Å; M71-W131 VanDerWaalsContact CE-CB 3.49Å; M71-W131 WeakPolarHBondContact CE-O 3.28Å
72I94.8Very high93.4Very high14 Ų1436.7 Ų36.77%0.07219%0.192CC..Hα-helixtrans-58.9-49.5173.4-68.4165.1000110.2T24 K27 W28 E68 L69 E70 V74 T75 E76T24-I72 HydrophobicContact CG2-CG2 4.12Å; K27-I72 HydrophobicContact CB-CG2 4.09Å; W28-I72 HydrophobicContact CB-CD1 4.09Å; E68-I72 WeakPolarHBondContact O-CG1 3.38Å; E68-I72 PolarHBondContact O-N 3.05Å; L69-I72 PolarHBondContact O-N 2.77Å; E70-I72 PolarHBondContact O-N 3.47Å; I72-V74 VanDerWaalsContact C-N 3.33Å; I72-V74 PolarHBondContact O-N 3.18Å; I72-T75 WeakPolarHBondContact CA-OG1 3.35Å; I72-T75 PolarHBondContact O-N 3.31Å; I72-T75 PolarHBondContact O-OG1 2.94Å; I72-E76 WeakPolarHBondContact O-CG 3.23Å; I72-E76 PolarHBondContact O-N 3.13Å; I72-E76 VanDerWaalsContact O-N 3.08Å
73Y94.7Very high93.6Very high2 Ų233.7 Ų33.71%0.00817%0.173CC..Hα-helixtrans-60.5-42.9179.2174.9-112.4000112.4L12 R15 I16 L69 E70 E76 N77 Q80L12-Y73 HydrophobicContact CD1-CD1 4.03Å; L12-Y73 HydrophobicContact CD1-CG 4.39Å; R15-Y73 HydrophobicContact CB-CE1 4.47Å; R15-Y73 HydrophobicContact CG-CE1 3.73Å; R15-Y73 PolarHBondContact O-OH 2.75Å; I16-Y73 HydrophobicContact CB-CD2 4.38Å; I16-Y73 HydrophobicContact CB-CE2 4.21Å; I16-Y73 HydrophobicContact CD1-CD2 4.2Å; I16-Y73 HydrophobicContact CD1-CG 4.13Å; I16-Y73 HydrophobicContact CG1-CD1 4.11Å; I16-Y73 HydrophobicContact CG1-CD2 3.55Å; I16-Y73 HydrophobicContact CG1-CE1 4.29Å; I16-Y73 HydrophobicContact CG1-CE2 3.75Å; I16-Y73 HydrophobicContact CG1-CG 3.7Å; I16-Y73 HydrophobicContact CG2-CD2 4.38Å; I16-Y73 HydrophobicContact CG2-CE2 4.31Å; L69-Y73 PolarHBondContact O-N 3.34Å; L69-Y73 VanDerWaalsContact O-N 3.09Å; E70-Y73 PolarHBondContact O-N 3.48Å; Y73-E76 PolarHBondContact O-N 3.05Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.25Å; Y73-N77 HydrophobicContact CE2-CB 4.32Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.34Å; Y73-N77 PolarHBondContact O-N 3.35Å; Y73-N77 PolarHBondContact O-ND2 3.08Å; Y73-Q80 VanDerWaalsContact CE1-OE1 3.28Å; Y73-Q80 PolarHBondContact OH-NE2 3.04Å; Y73-Q80 PolarHBondContact OH-OE1 3.27Å
74V94.2Very high93.8Very high5 Ų536.4 Ų36.43%0.0318%0.184CC..Hα-helixtrans-67.9-39.4179171.90000111.9E70 M71 I72 E76 N77 P78 W131 Y150E70-V74 HydrophobicContact CG-CG2 4.5Å; E70-V74 WeakPolarHBondContact O-CG2 3.37Å; E70-V74 PolarHBondContact O-N 3.36Å; M71-V74 PolarHBondContact O-N 2.99Å; I72-V74 VanDerWaalsContact C-N 3.33Å; I72-V74 PolarHBondContact O-N 3.18Å; V74-E76 VanDerWaalsContact C-N 3.27Å; V74-E76 PolarHBondContact O-N 2.91Å; V74-N77 CarbonylContact O-C 3.58Å; V74-N77 PolarHBondContact O-N 2.97Å; V74-P78 WeakPolarHBondContact O-CA 3.39Å; V74-W131 HydrophobicContact CG1-CZ3 4.02Å; V74-Y150 HydrophobicContact CB-CD1 4.44Å; V74-Y150 HydrophobicContact CB-CE1 4.06Å; V74-Y150 HydrophobicContact CG1-CD1 3.76Å; V74-Y150 HydrophobicContact CG1-CD2 4.35Å; V74-Y150 HydrophobicContact CG1-CE1 3.87Å; V74-Y150 HydrophobicContact CG1-CE2 4.45Å; V74-Y150 HydrophobicContact CG1-CG 4.01Å; V74-Y150 HydrophobicContact CG2-CE1 4.04Å; V74-Y150 HydrophobicContact CG2-CE2 4.24Å
75T93.8Very high94Very high21 Ų2129 Ų2913%0.12915%0.152CC..Hα-helixtrans-64.9-32.6176.951.50000112.3M71 I72 W131M71-T75 HydrophobicContact CG-CG2 4.49Å; M71-T75 VanDerWaalsContact O-CG2 3.25Å; M71-T75 WeakPolarHBondContact O-CG2 3.5Å; M71-T75 PolarHBondContact O-N 3.41Å; M71-T75 PolarHBondContact O-OG1 3.39Å; M71-T75 VanDerWaalsContact O-OG1 3.05Å; I72-T75 WeakPolarHBondContact CA-OG1 3.35Å; I72-T75 PolarHBondContact O-N 3.31Å; I72-T75 PolarHBondContact O-OG1 2.94Å; T75-W131 HydrophobicContact CG2-CB 4.29Å; T75-W131 HydrophobicContact CG2-CD2 3.38Å; T75-W131 HydrophobicContact CG2-CE3 3.62Å; T75-W131 HydrophobicContact CG2-CG 3.7Å; T75-W131 HydrophobicContact CG2-CH2 4.45Å; T75-W131 HydrophobicContact CG2-CZ2 4.24Å; T75-W131 HydrophobicContact CG2-CZ3 4.17Å
76E92.4Very high94.2Very high56 Ų5627.2 Ų27.226%0.26214%0.144SC..Hα-helixtrans-82.4-22177.4-70.6176.617900113.4K27 I72 Y73 V74 P78K27-E76 WeakPolarHBondContact CD-OE1 3.48Å; K27-E76 VanDerWaalsContact CE-OE1 3.26Å; K27-E76 WeakPolarHBondContact CE-OE1 3.36Å; K27-E76 VanDerWaalsContact NZ-CD 3.28Å; K27-E76 IonicContact NZ-OE1 3.19Å; K27-E76 PolarHBondContact NZ-OE1 3.5Å; K27-E76 IonicContact NZ-OE2 3.85Å; I72-E76 WeakPolarHBondContact O-CG 3.23Å; I72-E76 PolarHBondContact O-N 3.13Å; I72-E76 VanDerWaalsContact O-N 3.08Å; Y73-E76 PolarHBondContact O-N 3.05Å; V74-E76 VanDerWaalsContact C-N 3.27Å; V74-E76 PolarHBondContact O-N 2.91Å; E76-P78 WeakPolarHBondContact O-CD 3.45Å
77N93.8Very high94.3Very high28 Ų2829.1 Ų29.115%0.1515%0.153CC..  trans-12557.4-178.6-60.1-90.7000109.9M20 Y73 V74 N79 Q80M20-N77 WeakPolarHBondContact CE-ND2 3.21Å; M20-N77 WeakPolarHBondContact CE-OD1 3.46Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.25Å; Y73-N77 HydrophobicContact CE2-CB 4.32Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.34Å; Y73-N77 PolarHBondContact O-N 3.35Å; Y73-N77 PolarHBondContact O-ND2 3.08Å; V74-N77 CarbonylContact O-C 3.58Å; V74-N77 PolarHBondContact O-N 2.97Å; N77-N79 PolarHBondContact O-N 3.48Å; N77-N79 VanDerWaalsContact O-N 3.07Å; N77-Q80 HydrophobicContact CB-CG 4.12Å; N77-Q80 PolarHBondContact O-N 2.72Å
78P93.5Very high94.4Very high23 Ų2329 Ų2915%0.14915%0.152CC..THydrogen-bonded Turntrans-63-22.8-174.328.5-36.9000111.5V74 E76 Q80 W83 W131 L196V74-P78 WeakPolarHBondContact O-CA 3.39Å; E76-P78 WeakPolarHBondContact O-CD 3.45Å; P78-Q80 PolarHBondContact O-N 3.36Å; P78-Q80 VanDerWaalsContact O-N 3.08Å; P78-W83 PolarHBondContact O-NE1 3.28Å; P78-W131 HydrophobicContact CB-CH2 3.94Å; P78-L196 HydrophobicContact CB-CB 4.07Å; P78-L196 HydrophobicContact CB-CD2 3.91Å
79N92.8Very high94.3Very high70 Ų7028.2 Ų28.237%0.37415%0.149SC..THydrogen-bonded Turntrans-77.47.5-174.9-56.5-25000114.1N77 G81 Q194 K195 L196N77-N79 PolarHBondContact O-N 3.48Å; N77-N79 VanDerWaalsContact O-N 3.07Å; N79-G81 PolarHBondContact O-N 3.37Å; N79-Q194 VanDerWaalsContact CA-O 3.27Å; N79-Q194 WeakPolarHBondContact CA-O 3.27Å; N79-K195 WeakPolarHBondContact OD1-CA 3.45Å; N79-L196 PolarHBondContact OD1-N 3.07Å
80Q86.4Confident94.3Very high67 Ų6731.8 Ų31.831%0.31317%0.168SC..SBendtrans-91.687.5178-64-173.13.300111.1R15 Y73 N77 P78 N163R15-Q80 VanDerWaalsContact CZ-OE1 3.31Å; Y73-Q80 VanDerWaalsContact CE1-OE1 3.28Å; Y73-Q80 PolarHBondContact OH-NE2 3.04Å; Y73-Q80 PolarHBondContact OH-OE1 3.27Å; N77-Q80 HydrophobicContact CB-CG 4.12Å; N77-Q80 PolarHBondContact O-N 2.72Å; P78-Q80 PolarHBondContact O-N 3.36Å; P78-Q80 VanDerWaalsContact O-N 3.08Å; Q80-N163 PolarHBondContact O-ND2 3.14Å
81G89.9Confident94.2Very high31 Ų3133.7 Ų33.732%0.3218%0.183SC..SBendtrans124.6178.3175.700000112.8N79 Q194N79-G81 PolarHBondContact O-N 3.37Å; G81-Q194 VanDerWaalsContact O-CA 3.31Å; G81-Q194 WeakPolarHBondContact O-CA 3.36Å
82M93.8Very high94Very high75 Ų7537.7 Ų37.737%0.36920%0.202SC..  trans-92.3124.3178.4-171.568.993.900109.7N163 G193M82-N163 PolarHBondContact O-OD1 3.23Å; M82-N163 VanDerWaalsContact O-OD1 3.11Å; M82-G193 VanDerWaalsContact SD-C 3.56Å; M82-G193 VanDerWaalsContact SD-CA 3.5Å; M82-G193 PolarHBondContact SD-N 3.11Å
83W97.3Very high93.7Very high0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-93.2138.5169.3-65.790.6000110.1P78 W131 V152 F161 V162 N163 S192 G193 L196 L199P78-W83 PolarHBondContact O-NE1 3.28Å; W83-W131 HydrophobicContact CH2-CH2 4.17Å; W83-W131 AromaticContact CH2-CZ3 3.84Å; W83-W131 HydrophobicContact CH2-CZ3 3.84Å; W83-W131 HydrophobicContact CZ2-CH2 4.22Å; W83-W131 HydrophobicContact CZ2-CZ3 4.2Å; W83-V152 HydrophobicContact CH2-CG2 3.67Å; W83-V152 HydrophobicContact CZ3-CB 4.5Å; W83-V152 HydrophobicContact CZ3-CG2 3.79Å; W83-F161 HydrophobicContact CE3-CB 3.85Å; W83-F161 HydrophobicContact CZ3-CB 4.31Å; W83-V162 CarbonylContact C-O 3.3Å; W83-V162 WeakPolarHBondContact CA-O 3.25Å; W83-N163 HydrophobicContact CD2-CB 3.71Å; W83-N163 HydrophobicContact CE3-CB 3.6Å; W83-N163 HydrophobicContact CG-CB 4.39Å; W83-N163 HydrophobicContact CH2-CB 3.9Å; W83-N163 HydrophobicContact CZ2-CB 4Å; W83-N163 HydrophobicContact CZ3-CB 3.69Å; W83-S192 CarbonylContact O-C 3.6Å; W83-S192 WeakPolarHBondContact O-CA 3.48Å; W83-S192 WeakPolarHBondContact O-CB 2.8Å; W83-G193 WeakPolarHBondContact CB-O 3.14Å; W83-G193 PolarHBondContact N-O 2.87Å; W83-G193 PolarHBondContact O-N 3.27Å; W83-L196 HydrophobicContact CD2-CB 4.44Å; W83-L196 HydrophobicContact CD2-CD1 3.88Å; W83-L196 HydrophobicContact CE3-CD1 4.02Å; W83-L196 HydrophobicContact CG-CB 4.44Å; W83-L196 HydrophobicContact CG-CD1 4.21Å; W83-L196 HydrophobicContact CH2-CD2 4.37Å; W83-L196 HydrophobicContact CZ2-CD2 4.11Å; W83-L196 HydrophobicContact CZ3-CD1 4.49Å; W83-L199 HydrophobicContact CB-CD1 3.53Å; W83-L199 HydrophobicContact CG-CD1 4.49Å
84H96.4Very high93.3Very high79 Ų7948.5 Ų48.537%0.36626%0.259SS..EExtended strand (participates in β ladder)trans-116.8135.5171.7-59.7-74000108.8F86 V162H84-F86 HydrophobicContact CB-CE2 4.13Å; H84-V162 PolarHBondContact N-O 2.73Å; H84-V162 PolarHBondContact O-N 3.43Å
85T97Very high92.8Very high3 Ų348.4 Ų48.42%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-104141.8-176.764.20000111.7V160 F161 A189 L191 L199 L203T85-V160 CarbonylContact C-O 3.56Å; T85-V160 WeakPolarHBondContact CA-O 3.41Å; T85-F161 HydrophobicContact CG2-CD1 3.61Å; T85-F161 HydrophobicContact CG2-CE1 3.81Å; T85-A189 PolarHBondContact O-N 2.99Å; T85-A189 WeakPolarHBondContact OG1-CB 3.44Å; T85-L191 HydrophobicContact CG2-CB 4.32Å; T85-L191 HydrophobicContact CG2-CD2 4.4Å; T85-L191 HydrophobicContact CG2-CG 4.43Å; T85-L191 PolarHBondContact N-O 2.9Å; T85-L191 WeakPolarHBondContact OG1-CB 3.41Å; T85-L191 PolarHBondContact OG1-O 3.31Å; T85-L199 HydrophobicContact CG2-CB 4.15Å; T85-L199 HydrophobicContact CG2-CD1 4.14Å; T85-L203 HydrophobicContact CG2-CD1 3.72Å
86F97.4Very high92.2Very high8 Ų853 Ų534%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-125.6153.6175.2-60.7-91000109.8H84 Y159 V160 V162 L165 L174 I186 K187 A188H84-F86 HydrophobicContact CB-CE2 4.13Å; F86-Y159 WeakPolarHBondContact O-CA 3.48Å; F86-V160 HydrophobicContact CB-CB 4.44Å; F86-V160 PolarHBondContact N-O 3.07Å; F86-V160 PolarHBondContact O-N 3.5Å; F86-V162 HydrophobicContact CD2-CB 4.45Å; F86-V162 HydrophobicContact CD2-CG2 3.78Å; F86-V162 HydrophobicContact CE2-CB 4.05Å; F86-V162 HydrophobicContact CE2-CG2 3.78Å; F86-L165 HydrophobicContact CZ-CD2 4.41Å; F86-L174 HydrophobicContact CD1-CD1 4.23Å; F86-L174 HydrophobicContact CD1-CD2 3.69Å; F86-L174 HydrophobicContact CD2-CD2 4.17Å; F86-L174 HydrophobicContact CE1-CD1 3.87Å; F86-L174 HydrophobicContact CE1-CD2 3.82Å; F86-L174 HydrophobicContact CE1-CG 4.48Å; F86-L174 HydrophobicContact CE2-CD2 4.29Å; F86-L174 HydrophobicContact CG-CD2 3.88Å; F86-L174 HydrophobicContact CZ-CD2 4.12Å; F86-I186 HydrophobicContact CB-CD1 3.86Å; F86-I186 HydrophobicContact CB-CG1 3.87Å; F86-K187 CarbonylContact C-O 3.55Å; F86-K187 VanDerWaalsContact CA-O 3.25Å; F86-K187 WeakPolarHBondContact CA-O 3.35Å; F86-A188 HydrophobicContact CE1-CB 4.47Å
87Q96.6Very high91.9Very high44 Ų4453.9 Ų53.921%0.20629%0.292CS..EExtended strand (participates in β ladder)trans-122123177-175.2179.32200108.9L89 P158 Y159 I186 K187 A189Q87-L89 HydrophobicContact CG-CD2 3.95Å; Q87-P158 CarbonylContact C-O 3.59Å; Q87-P158 WeakPolarHBondContact CA-O 3.24Å; Q87-P158 HydrophobicContact CG-CB 4.41Å; Q87-Y159 HydrophobicContact CB-CD1 4.29Å; Q87-Y159 HydrophobicContact CB-CE1 4.31Å; Q87-Y159 HydrophobicContact CG-CD1 4.24Å; Q87-Y159 HydrophobicContact CG-CE1 3.96Å; Q87-I186 WeakPolarHBondContact O-CA 3.41Å; Q87-K187 HydrophobicContact CB-CG 4.46Å; Q87-K187 PolarHBondContact N-O 2.79Å; Q87-K187 PolarHBondContact O-N 3.31Å; Q87-A189 HydrophobicContact CB-CB 4.29Å
88L96.6Very high91.7Very high3 Ų352.9 Ų52.92%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-73.5140.1167.8-63.5163.4000109.1P158 V160 T181 H183 Q185 I186L88-P158 HydrophobicContact CB-CB 4.28Å; L88-P158 WeakPolarHBondContact CB-O 3.4Å; L88-P158 PolarHBondContact N-O 2.91Å; L88-P158 WeakPolarHBondContact O-CB 3.42Å; L88-V160 HydrophobicContact CD1-CG2 4.03Å; L88-V160 HydrophobicContact CG-CG2 4.24Å; L88-T181 HydrophobicContact CD1-CG2 3.91Å; L88-T181 WeakPolarHBondContact CD2-OG1 3.35Å; L88-H183 HydrophobicContact CB-CB 4.26Å; L88-H183 VanDerWaalsContact CB-CD2 3.45Å; L88-H183 WeakPolarHBondContact CB-CD2 3.49Å; L88-H183 HydrophobicContact CD2-CB 4.2Å; L88-Q185 WeakPolarHBondContact CA-O 3.2Å; L88-I186 HydrophobicContact CD2-CB 4.13Å; L88-I186 HydrophobicContact CD2-CD1 3.81Å; L88-I186 HydrophobicContact CD2-CG1 4.11Å; L88-I186 HydrophobicContact CG-CD1 4.44Å
89L94.9Very high91.6Very high33 Ų3358.5 Ų58.517%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-133160.6-177-55.8172.9000109.9Q87 H183 Q184 Q185 K187Q87-L89 HydrophobicContact CG-CD2 3.95Å; L89-H183 WeakPolarHBondContact O-CB 3.3Å; L89-Q184 PolarHBondContact O-N 2.99Å; L89-Q185 HydrophobicContact CB-CB 4.22Å; L89-Q185 PolarHBondContact N-O 3.2Å; L89-Q185 PolarHBondContact O-N 3Å; L89-K187 HydrophobicContact CD1-CB 4.48Å; L89-K187 HydrophobicContact CD1-CD 3.7Å; L89-K187 HydrophobicContact CD1-CG 3.89Å; L89-K187 HydrophobicContact CG-CG 4.45Å
90D94.1Very high91.7Very high75 Ų7557.2 Ų57.240%0.40130%0.303SS..EExtended strand (participates in β ladder)trans54.664.4174.4-46.7-36.7000110.7Q184D90-Q184 HydrophobicContact CB-CB 3.96Å; D90-Q184 HydrophobicContact CB-CG 4.19Å; D90-Q184 PolarHBondContact O-N 3.48Å
91P92.9Very high92.1Very high65 Ų6560.3 Ų60.342%0.42232%0.319SS..EExtended strand (participates in β ladder)trans-63.4139.4178.227.7-33.6000110.5A95P91-A95 HydrophobicContact CB-CB 3.68Å
92E91.3Very high92.3Very high90 Ų9062 Ų6242%0.42132%0.319SS..  trans-71.3163.2165.5-64172.6-158.300110.4D94 A95 K182E92-D94 PolarHBondContact O-N 3.13Å; E92-A95 WeakPolarHBondContact O-CB 3.15Å; E92-A95 PolarHBondContact O-N 3.33Å; E92-K182 HydrophobicContact CB-CB 4.2Å; E92-K182 WeakPolarHBondContact CB-O 3.35Å; E92-K182 HydrophobicContact CG-CB 4.49Å; E92-K182 WeakPolarHBondContact CG-O 3.16Å; E92-K182 PolarHBondContact N-O 3.06Å
93D87.3Confident92.5Very high177 Ų17758.5 Ų58.595%0.94730%0.302SS*.THydrogen-bonded Turntrans-54.7-31.7-172.8-70.6-20.4000113.6
94D86.3Confident92.5Very high65 Ų6561.2 Ų61.235%0.34831%0.314SS..THydrogen-bonded Turntrans-104.57.8-177.667.3-9.7000113.6E92 H96 S97 K182E92-D94 PolarHBondContact O-N 3.13Å; D94-H96 VanDerWaalsContact C-N 3.27Å; D94-H96 PolarHBondContact O-N 3.06Å; D94-S97 PolarHBondContact O-N 3.48Å; D94-S97 PolarHBondContact O-OG 2.85Å; D94-K182 VanDerWaalsContact CG-NZ 3.27Å; D94-K182 WeakPolarHBondContact OD1-CD 3.1Å; D94-K182 IonicContact OD1-NZ 2.74Å; D94-K182 IonicContact OD2-NZ 3.89Å; D94-K182 PolarHBondContact OD2-NZ 2.68Å
95A83.4Confident92.5Very high4 Ų463.5 Ų63.53%0.03333%0.325CS..G310 helixtrans-58.7-36.6-178.900000113.1P91 E92 S97 V98 K182P91-A95 HydrophobicContact CB-CB 3.68Å; E92-A95 WeakPolarHBondContact O-CB 3.15Å; E92-A95 PolarHBondContact O-N 3.33Å; A95-S97 PolarHBondContact O-N 3.36Å; A95-V98 WeakPolarHBondContact O-CG2 3.46Å; A95-V98 PolarHBondContact O-N 2.65Å; A95-K182 HydrophobicContact CB-CB 4.2Å; A95-K182 WeakPolarHBondContact CB-O 3.45Å
96H81.8Confident92.5Very high118 Ų11865.9 Ų65.955%0.54634%0.335SS..G310 helixtrans-72.4-16.9177.8-61.2-58.6000113.5D94 Q156D94-H96 VanDerWaalsContact C-N 3.27Å; D94-H96 PolarHBondContact O-N 3.06Å; H96-Q156 PolarHBondContact O-NE2 3.25Å; H96-Q156 PolarHBondContact O-OE1 3.41Å
97S86.3Confident92.5Very high74 Ų7465.5 Ų65.552%0.51733%0.334SS..G310 helixtrans-96.12.2-179.172.40000113.7D94 A95 E99D94-S97 PolarHBondContact O-N 3.48Å; D94-S97 PolarHBondContact O-OG 2.85Å; A95-S97 PolarHBondContact O-N 3.36Å; S97-E99 PolarHBondContact O-N 3.43Å
98V89.4Confident92.5Very high7 Ų768 Ų684%0.04234%0.344CS..  trans-61.7111.1-177.91750000110.5A95 F103 K182A95-V98 WeakPolarHBondContact O-CG2 3.46Å; A95-V98 PolarHBondContact O-N 2.65Å; V98-F103 HydrophobicContact CG1-CB 3.86Å; V98-K182 HydrophobicContact CG2-CB 4.48Å; V98-K182 HydrophobicContact CG2-CD 3.87Å; V98-K182 HydrophobicContact CG2-CG 3.97Å
99E92.3Very high92.4Very high141 Ų14170.4 Ų70.466%0.65936%0.361SS*.  trans-79155.4176.9-65.4-167.6168.100112.2S97 M101 Q102 F103S97-E99 PolarHBondContact O-N 3.43Å; E99-M101 VanDerWaalsContact C-N 3.27Å; E99-M101 PolarHBondContact O-N 2.95Å; E99-Q102 PolarHBondContact O-N 3.33Å; E99-F103 WeakPolarHBondContact O-CB 3.38Å; E99-F103 PolarHBondContact O-N 3.29Å
100L94.2Very high92.5Very high42 Ų4270.9 Ų70.922%0.2236%0.362CS..Hα-helixtrans-57.7-36.8-177.8178.563.5000113.5K104 K124 V130 L155L100-K104 HydrophobicContact CD1-CD 4.28Å; L100-K104 HydrophobicContact CD1-CG 4.26Å; L100-K104 HydrophobicContact CG-CD 4.13Å; L100-K104 WeakPolarHBondContact O-CB 3.47Å; L100-K104 WeakPolarHBondContact O-CG 3.14Å; L100-K104 PolarHBondContact O-N 2.85Å; L100-K124 HydrophobicContact CD2-CB 3.8Å; L100-K124 HydrophobicContact CD2-CD 4Å; L100-K124 HydrophobicContact CD2-CG 4.24Å; L100-V130 HydrophobicContact CD1-CB 4.5Å; L100-V130 HydrophobicContact CD1-CG1 3.98Å; L100-V130 HydrophobicContact CD1-CG2 3.63Å; L100-L155 HydrophobicContact CB-CD1 4.14Å; L100-L155 HydrophobicContact CD1-CD1 4.22Å
101M94.9Very high92.5Very high132 Ų13267.3 Ų67.365%0.6534%0.343SS*.Hα-helixtrans-69.6-49.4-178.4-168.1174.5-64.600110.6E99 F103 K104 E105E99-M101 VanDerWaalsContact C-N 3.27Å; E99-M101 PolarHBondContact O-N 2.95Å; M101-F103 PolarHBondContact O-N 3.28Å; M101-K104 WeakPolarHBondContact O-CB 3.35Å; M101-K104 PolarHBondContact O-N 3.32Å; M101-K104 VanDerWaalsContact O-N 3.17Å; M101-E105 WeakPolarHBondContact O-CG 3.31Å; M101-E105 PolarHBondContact O-N 3.15Å; M101-E105 VanDerWaalsContact O-N 3.09Å
102Q95Very high92.5Very high68 Ų6867 Ų6732%0.31834%0.343SS..Hα-helixtrans-56.9-48.9174.8-178.1175.933.600111.4E99 K104 E105 Q106E99-Q102 PolarHBondContact O-N 3.33Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.38Å; Q102-E105 PolarHBondContact O-N 2.74Å; Q102-Q106 HydrophobicContact CG-CG 4.33Å; Q102-Q106 WeakPolarHBondContact O-CB 3.43Å; Q102-Q106 WeakPolarHBondContact O-CG 3.45Å; Q102-Q106 PolarHBondContact O-N 3.28Å
103F96.6Very high92.5Very high0 Ų069.2 Ų69.20%035%0.353CS..Hα-helixtrans-55-47.1176.3172.8-100.5000111.9V98 E99 M101 E105 F107 V130 I132 L155 S180 T181V98-F103 HydrophobicContact CG1-CB 3.86Å; E99-F103 WeakPolarHBondContact O-CB 3.38Å; E99-F103 PolarHBondContact O-N 3.29Å; M101-F103 PolarHBondContact O-N 3.28Å; F103-E105 VanDerWaalsContact C-N 3.33Å; F103-E105 PolarHBondContact O-N 2.79Å; F103-F107 HydrophobicContact CE2-CB 4.49Å; F103-F107 HydrophobicContact CZ-CB 4.36Å; F103-F107 HydrophobicContact CZ-CD2 4.31Å; F103-F107 HydrophobicContact CZ-CG 4.38Å; F103-F107 WeakPolarHBondContact O-CB 3.27Å; F103-F107 PolarHBondContact O-N 3.38Å; F103-V130 HydrophobicContact CD1-CG1 4.37Å; F103-V130 HydrophobicContact CE1-CG1 3.98Å; F103-I132 HydrophobicContact CE1-CD1 3.75Å; F103-I132 HydrophobicContact CZ-CD1 3.64Å; F103-L155 HydrophobicContact CB-CD2 4.07Å; F103-L155 HydrophobicContact CD1-CD2 4.05Å; F103-L155 HydrophobicContact CD2-CD2 3.8Å; F103-L155 HydrophobicContact CE1-CD2 4.5Å; F103-L155 HydrophobicContact CE2-CD2 4.26Å; F103-L155 HydrophobicContact CG-CD2 3.68Å; F103-S180 VanDerWaalsContact CE2-OG 3.24Å; F103-S180 WeakPolarHBondContact CE2-OG 3.26Å; F103-T181 HydrophobicContact CD2-CG2 4.22Å; F103-T181 HydrophobicContact CE2-CG2 3.83Å
104K97.2Very high92.7Very high58 Ų5863.6 Ų63.625%0.25232%0.323SS..Hα-helixtrans-61.3-41.2-178.9-80.9171.7175.11740112.5L100 M101 Q102 K108 I122L100-K104 HydrophobicContact CD1-CD 4.28Å; L100-K104 HydrophobicContact CD1-CG 4.26Å; L100-K104 HydrophobicContact CG-CD 4.13Å; L100-K104 WeakPolarHBondContact O-CB 3.47Å; L100-K104 WeakPolarHBondContact O-CG 3.14Å; L100-K104 PolarHBondContact O-N 2.85Å; M101-K104 WeakPolarHBondContact O-CB 3.35Å; M101-K104 PolarHBondContact O-N 3.32Å; M101-K104 VanDerWaalsContact O-N 3.17Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.38Å; K104-K108 WeakPolarHBondContact O-CB 3.31Å; K104-K108 WeakPolarHBondContact O-CD 3.43Å; K104-K108 WeakPolarHBondContact O-CG 3.31Å; K104-K108 PolarHBondContact O-N 2.89Å; K104-I122 HydrophobicContact CB-CD1 4.11Å; K104-I122 HydrophobicContact CD-CB 4.43Å; K104-I122 HydrophobicContact CD-CG2 4.27Å; K104-I122 HydrophobicContact CG-CB 3.9Å; K104-I122 HydrophobicContact CG-CD1 3.8Å; K104-I122 HydrophobicContact CG-CG1 4.45Å; K104-I122 HydrophobicContact CG-CG2 3.66Å
105E96.8Very high92.9Very high127 Ų12761.9 Ų61.959%0.59331%0.312SS*.Hα-helixtrans-71.2-51.1-178.9-71176.1172.500110.7M101 Q102 F103 F107 K108 S109M101-E105 WeakPolarHBondContact O-CG 3.31Å; M101-E105 PolarHBondContact O-N 3.15Å; M101-E105 VanDerWaalsContact O-N 3.09Å; Q102-E105 PolarHBondContact O-N 2.74Å; F103-E105 VanDerWaalsContact C-N 3.33Å; F103-E105 PolarHBondContact O-N 2.79Å; E105-F107 PolarHBondContact O-N 3.42Å; E105-K108 PolarHBondContact O-N 2.66Å; E105-S109 PolarHBondContact O-N 2.85Å
106Q96.6Very high92.9Very high52 Ų5272.8 Ų72.824%0.24335%0.352CS..Hα-helixtrans-61.3-47.3179.2-70.8-179.7-12.500112Q102 K108 S109 H110 S180Q102-Q106 HydrophobicContact CG-CG 4.33Å; Q102-Q106 WeakPolarHBondContact O-CB 3.43Å; Q102-Q106 WeakPolarHBondContact O-CG 3.45Å; Q102-Q106 PolarHBondContact O-N 3.28Å; Q106-K108 VanDerWaalsContact C-N 3.29Å; Q106-K108 PolarHBondContact O-N 3.45Å; Q106-S109 PolarHBondContact O-N 3.34Å; Q106-H110 VanDerWaalsContact O-CG 3.26Å; Q106-H110 PolarHBondContact O-N 3.21Å; Q106-H110 PolarHBondContact O-ND1 3.45Å; Q106-S180 PolarHBondContact OE1-O 2.84Å
107F97.8Very high93.4Very high0 Ų069.5 Ų69.50%034%0.339CS..Hα-helixtrans-58.9-41.8178.8-177.9-94.3000112F103 E105 L111 V120 I122 I132 V134 L173 A176 L177F103-F107 HydrophobicContact CE2-CB 4.49Å; F103-F107 HydrophobicContact CZ-CB 4.36Å; F103-F107 HydrophobicContact CZ-CD2 4.31Å; F103-F107 HydrophobicContact CZ-CG 4.38Å; F103-F107 WeakPolarHBondContact O-CB 3.27Å; F103-F107 PolarHBondContact O-N 3.38Å; E105-F107 PolarHBondContact O-N 3.42Å; F107-L111 HydrophobicContact CE1-CD2 4.09Å; F107-L111 HydrophobicContact CZ-CD2 4.22Å; F107-L111 VanDerWaalsContact O-CB 3.29Å; F107-L111 WeakPolarHBondContact O-CB 3.45Å; F107-L111 PolarHBondContact O-N 2.7Å; F107-L111 VanDerWaalsContact O-N 3.15Å; F107-V120 HydrophobicContact CD1-CG1 3.95Å; F107-V120 HydrophobicContact CE1-CG1 3.76Å; F107-I122 HydrophobicContact CD1-CD1 3.94Å; F107-I132 HydrophobicContact CD1-CG2 4.42Å; F107-I132 HydrophobicContact CE1-CG2 3.7Å; F107-I132 HydrophobicContact CZ-CD1 4.43Å; F107-I132 HydrophobicContact CZ-CG2 4.15Å; F107-V134 HydrophobicContact CE1-CG2 4.34Å; F107-V134 HydrophobicContact CZ-CG2 4.38Å; F107-L173 HydrophobicContact CE2-CD1 4.18Å; F107-L173 HydrophobicContact CZ-CD1 3.79Å; F107-A176 HydrophobicContact CD2-CB 4.25Å; F107-A176 HydrophobicContact CE2-CB 4.01Å; F107-L177 HydrophobicContact CD2-CD2 4.18Å; F107-L177 HydrophobicContact CE2-CD2 3.71Å; F107-L177 HydrophobicContact CE2-CG 3.89Å
108K96.6Very high93.7Very high98 Ų9867.3 Ų67.343%0.42632%0.322SS..Hα-helixtrans-67.9-42.4176.5-74.9174.8-177.4175.60111.8K104 E105 Q106 S112 V120 I122K104-K108 WeakPolarHBondContact O-CB 3.31Å; K104-K108 WeakPolarHBondContact O-CD 3.43Å; K104-K108 WeakPolarHBondContact O-CG 3.31Å; K104-K108 PolarHBondContact O-N 2.89Å; E105-K108 PolarHBondContact O-N 2.66Å; Q106-K108 VanDerWaalsContact C-N 3.29Å; Q106-K108 PolarHBondContact O-N 3.45Å; K108-S112 VanDerWaalsContact O-CB 3.28Å; K108-S112 WeakPolarHBondContact O-CB 3.27Å; K108-S112 PolarHBondContact O-N 3.26Å; K108-S112 PolarHBondContact O-OG 3.28Å; K108-V120 HydrophobicContact CG-CB 4.22Å; K108-V120 HydrophobicContact CG-CG1 4.06Å; K108-I122 HydrophobicContact CG-CD1 4.48Å
109S95.9Very high94Very high53 Ų5368.7 Ų68.737%0.37133%0.332SS..Hα-helixtrans-59.4-59178.4-162.90000110.6E105 Q106 L111 S112 E113E105-S109 PolarHBondContact O-N 2.85Å; Q106-S109 PolarHBondContact O-N 3.34Å; S109-L111 VanDerWaalsContact C-N 3.29Å; S109-L111 PolarHBondContact O-N 2.85Å; S109-S112 PolarHBondContact O-N 2.82Å; S109-S112 PolarHBondContact O-OG 2.86Å; S109-E113 WeakPolarHBondContact O-CG 3.36Å; S109-E113 PolarHBondContact O-N 3.36Å; S109-E113 PolarHBondContact OG-OE1 3.43Å
110H96.1Very high94.2Very high43 Ų4363.3 Ų63.320%0.19931%0.309CS..Hα-helixtrans-56.4-43.1-178.4-61145.8000111.9Q106 S112 E113 L114 A176 L179Q106-H110 VanDerWaalsContact O-CG 3.26Å; Q106-H110 PolarHBondContact O-N 3.21Å; Q106-H110 PolarHBondContact O-ND1 3.45Å; H110-S112 PolarHBondContact O-N 2.93Å; H110-E113 PolarHBondContact O-N 3.03Å; H110-L114 VanDerWaalsContact O-CG 3.26Å; H110-L114 WeakPolarHBondContact O-CG 3.47Å; H110-L114 PolarHBondContact O-N 3.41Å; H110-L114 VanDerWaalsContact O-N 3.13Å; H110-A176 HydrophobicContact CB-CB 4.23Å; H110-L179 VanDerWaalsContact CE1-CB 3.46Å; H110-L179 WeakPolarHBondContact CE1-CB 3.24Å; H110-L179 WeakPolarHBondContact ND1-CB 3.44Å
111L94.5Very high94.2Very high0 Ų063.4 Ų63.40%031%0.307CS..Hα-helixtrans-70-33.7-179.7-162.166.2000112.7F107 S109 K115 V118 V120 V134 W136 A176F107-L111 HydrophobicContact CE1-CD2 4.09Å; F107-L111 HydrophobicContact CZ-CD2 4.22Å; F107-L111 VanDerWaalsContact O-CB 3.29Å; F107-L111 WeakPolarHBondContact O-CB 3.45Å; F107-L111 PolarHBondContact O-N 2.7Å; F107-L111 VanDerWaalsContact O-N 3.15Å; S109-L111 VanDerWaalsContact C-N 3.29Å; S109-L111 PolarHBondContact O-N 2.85Å; L111-K115 PolarHBondContact O-N 3.27Å; L111-V118 HydrophobicContact CD2-CG1 4.48Å; L111-V118 HydrophobicContact CD2-CG2 3.74Å; L111-V118 HydrophobicContact CG-CG1 4.38Å; L111-V118 HydrophobicContact CG-CG2 4.24Å; L111-V120 HydrophobicContact CD2-CG2 3.61Å; L111-V134 HydrophobicContact CD2-CG1 3.79Å; L111-V134 HydrophobicContact CD2-CG2 4.36Å; L111-W136 HydrophobicContact CD1-CH2 3.88Å; L111-W136 HydrophobicContact CD1-CZ3 3.86Å; L111-W136 HydrophobicContact CD2-CH2 4.34Å; L111-W136 HydrophobicContact CD2-CZ3 4.4Å; L111-W136 HydrophobicContact CG-CZ3 4.44Å; L111-A176 HydrophobicContact CB-CB 4.15Å; L111-A176 HydrophobicContact CD1-CB 3.87Å
112S92.1Very high94.3Very high59 Ų5958 Ų5841%0.41328%0.281SS..Hα-helixtrans-71.5-33.6177.372.40000112.9K108 S109 H110 K115K108-S112 VanDerWaalsContact O-CB 3.28Å; K108-S112 WeakPolarHBondContact O-CB 3.27Å; K108-S112 PolarHBondContact O-N 3.26Å; K108-S112 PolarHBondContact O-OG 3.28Å; S109-S112 PolarHBondContact O-N 2.82Å; S109-S112 PolarHBondContact O-OG 2.86Å; H110-S112 PolarHBondContact O-N 2.93Å; S112-K115 CarbonylContact O-C 3.54Å; S112-K115 VanDerWaalsContact O-C 3.3Å; S112-K115 PolarHBondContact O-N 2.77Å
113E92.4Very high94.3Very high135 Ų13560 Ų6063%0.63129%0.289SS*.Hα-helixtrans-65.3-43.5173-72.1164.2-144.400111S109 H110S109-E113 WeakPolarHBondContact O-CG 3.36Å; S109-E113 PolarHBondContact O-N 3.36Å; S109-E113 PolarHBondContact OG-OE1 3.43Å; H110-E113 PolarHBondContact O-N 3.03Å
114L91Very high94.2Very high60 Ų6064.4 Ų64.431%0.31431%0.308SS..Hα-helixtrans-72.1-28.8176.8-66.6173.4000112.8H110 L172 Q175H110-L114 VanDerWaalsContact O-CG 3.26Å; H110-L114 WeakPolarHBondContact O-CG 3.47Å; H110-L114 PolarHBondContact O-N 3.41Å; H110-L114 VanDerWaalsContact O-N 3.13Å; L114-L172 HydrophobicContact CB-CD2 4.34Å; L114-Q175 HydrophobicContact CD1-CB 4.27Å; L114-Q175 HydrophobicContact CD1-CG 4.25Å
115K89.2Confident94Very high28 Ų2864.5 Ų64.512%0.12231%0.309CS..  trans-152.8105.7-173.8-165126.6-179.1177.30112.6L111 S112 N117 V118 W136 G137 N169 L172L111-K115 PolarHBondContact O-N 3.27Å; S112-K115 CarbonylContact O-C 3.54Å; S112-K115 VanDerWaalsContact O-C 3.3Å; S112-K115 PolarHBondContact O-N 2.77Å; K115-N117 PolarHBondContact O-N 3.22Å; K115-V118 WeakPolarHBondContact O-CG1 3.4Å; K115-W136 HydrophobicContact CD-CE3 4.35Å; K115-G137 WeakPolarHBondContact CE-O 3.39Å; K115-G137 PolarHBondContact NZ-O 3.33Å; K115-N169 PolarHBondContact NZ-OD1 3.01Å; K115-L172 HydrophobicContact CD-CD1 3.76Å
116R85.3Confident93.5Very high234 Ų23464.7 Ų64.788%0.88332%0.319SS*.SBendtrans-54.7-45.6179.9-64.2-175.8-179.2-176.7-0.2113.9V118R116-V118 PolarHBondContact O-N 2.8Å
117N91Very high93Very high48 Ų4865.1 Ų65.126%0.25732%0.323SS..SBendtrans-97.776.7-175.5-72.4-38.1000111K115 G137 G139 S141K115-N117 PolarHBondContact O-N 3.22Å; N117-G137 VanDerWaalsContact O-CA 3.31Å; N117-G137 WeakPolarHBondContact O-CA 3.27Å; N117-G137 PolarHBondContact O-N 2.94Å; N117-G139 PolarHBondContact ND2-O 2.82Å; N117-S141 VanDerWaalsContact CB-O 3.31Å; N117-S141 WeakPolarHBondContact CB-O 3.46Å; N117-S141 PolarHBondContact ND2-O 3.43Å
118V93.3Very high92.7Very high29 Ų2970.6 Ų70.618%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-132.4143176.571.20000110.8L111 K115 R116 V120 V134 A135 W136L111-V118 HydrophobicContact CD2-CG1 4.48Å; L111-V118 HydrophobicContact CD2-CG2 3.74Å; L111-V118 HydrophobicContact CG-CG1 4.38Å; L111-V118 HydrophobicContact CG-CG2 4.24Å; K115-V118 WeakPolarHBondContact O-CG1 3.4Å; R116-V118 PolarHBondContact O-N 2.8Å; V118-V120 HydrophobicContact CG1-CG2 4.3Å; V118-V120 HydrophobicContact CG2-CG2 3.98Å; V118-V134 HydrophobicContact CG2-CG1 3.53Å; V118-A135 WeakPolarHBondContact CA-O 3.46Å; V118-A135 WeakPolarHBondContact CG2-O 3.47Å; V118-W136 HydrophobicContact CG2-CE3 4.28Å
119S94.6Very high92.6Very high36 Ų3666 Ų6625%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-117.9115.4171.4-179.10000109.3V134 A135 H145S119-V134 WeakPolarHBondContact O-CA 3.13Å; S119-A135 PolarHBondContact N-O 2.64Å; S119-A135 PolarHBondContact O-N 2.91Å; S119-H145 PolarHBondContact OG-CE1 2.86Å
120V96.5Very high92.6Very high28 Ų2863.5 Ų63.517%0.1731%0.311CS..EExtended strand (participates in β ladder)trans-114.6135-176.2-176.90000110.3F107 K108 L111 V118 I122 I132 R133 V134F107-V120 HydrophobicContact CD1-CG1 3.95Å; F107-V120 HydrophobicContact CE1-CG1 3.76Å; K108-V120 HydrophobicContact CG-CB 4.22Å; K108-V120 HydrophobicContact CG-CG1 4.06Å; L111-V120 HydrophobicContact CD2-CG2 3.61Å; V118-V120 HydrophobicContact CG1-CG2 4.3Å; V118-V120 HydrophobicContact CG2-CG2 3.98Å; V120-I122 HydrophobicContact CG1-CD1 4.13Å; V120-I122 HydrophobicContact CG1-CG1 3.96Å; V120-I132 HydrophobicContact CG1-CG2 4.12Å; V120-R133 WeakPolarHBondContact CA-O 3.03Å; V120-V134 HydrophobicContact CG2-CG1 4.47Å
121K96Very high92.7Very high43 Ų4361.9 Ų61.919%0.18730%0.304CS..EExtended strand (participates in β ladder)trans-135.8131.6173.5-173.6176.8-166.1151.60110.2K64 T67 E68 M71 I132 R133K64-K121 PolarHBondContact O-NZ 2.91Å; T67-K121 PolarHBondContact OG1-NZ 2.84Å; E68-K121 VanDerWaalsContact CA-NZ 3.29Å; M71-K121 HydrophobicContact SD-CD 3.85Å; M71-K121 HydrophobicContact SD-CG 3.97Å; K121-I132 CarbonylContact O-C 3.53Å; K121-I132 VanDerWaalsContact O-CA 3.31Å; K121-I132 WeakPolarHBondContact O-CA 3.43Å; K121-R133 HydrophobicContact CB-CB 4.36Å; K121-R133 PolarHBondContact N-O 3.46Å; K121-R133 PolarHBondContact O-N 2.78Å
122I97Very high92.9Very high20 Ų2061.9 Ų61.910%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-128.4125.3-174.3-55.8170.7000108.4K104 F107 K108 V120 V130 W131 I132K104-I122 HydrophobicContact CB-CD1 4.11Å; K104-I122 HydrophobicContact CD-CB 4.43Å; K104-I122 HydrophobicContact CD-CG2 4.27Å; K104-I122 HydrophobicContact CG-CB 3.9Å; K104-I122 HydrophobicContact CG-CD1 3.8Å; K104-I122 HydrophobicContact CG-CG1 4.45Å; K104-I122 HydrophobicContact CG-CG2 3.66Å; F107-I122 HydrophobicContact CD1-CD1 3.94Å; K108-I122 HydrophobicContact CG-CD1 4.48Å; V120-I122 HydrophobicContact CG1-CD1 4.13Å; V120-I122 HydrophobicContact CG1-CG1 3.96Å; I122-V130 HydrophobicContact CG2-CG1 3.36Å; I122-W131 CarbonylContact C-O 3.56Å; I122-W131 VanDerWaalsContact CA-O 3.31Å; I122-W131 WeakPolarHBondContact CA-O 3.36Å; I122-I132 HydrophobicContact CG1-CB 4.42Å; I122-I132 HydrophobicContact CG1-CG1 4.17Å; I122-I132 HydrophobicContact CG1-CG2 3.95Å; I122-I132 HydrophobicContact CG2-CG1 4.26Å
123K94.7Very high93.1Very high110 Ų11059.1 Ų59.148%0.47828%0.284SS..EExtended strand (participates in β ladder)trans-132.9133.4179.2-169.2178.1178.4-177.40109.3M71 W131M71-K123 HydrophobicContact CE-CB 3.53Å; M71-K123 HydrophobicContact SD-CB 4.12Å; K123-W131 PolarHBondContact N-O 3.11Å; K123-W131 PolarHBondContact O-N 3.46Å
124K94.3Very high93.4Very high91 Ų9152.7 Ų52.740%0.39625%0.254SS..EExtended strand (participates in β ladder)trans-78.6131.6168.1-166.2-173.8-176.9-176.60108.2L100 E128L100-K124 HydrophobicContact CD2-CB 3.8Å; L100-K124 HydrophobicContact CD2-CD 4Å; L100-K124 HydrophobicContact CD2-CG 4.24Å; K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 WeakPolarHBondContact CE-OE2 3.31Å; K124-E128 IonicContact NZ-OE1 2.85Å; K124-E128 PolarHBondContact NZ-OE1 2.94Å; K124-E128 IonicContact NZ-OE2 3.65Å; K124-E128 PolarHBondContact NZ-OE2 3.35Å
125H92Very high93.6Very high61 Ų6149.9 Ų49.928%0.28224%0.239SC..  trans-95.1169.3174.9-171.9-98.8000110.2D127 E128 A129 W131H125-D127 WeakPolarHBondContact CB-OD1 3.44Å; H125-D127 IonicContact CE1-OD1 3.99Å; H125-D127 IonicContact CG-OD1 2.6Å; H125-D127 IonicContact ND1-OD1 3.59Å; H125-D127 PolarHBondContact ND1-OD1 2.81Å; H125-D127 IonicContact ND1-OD2 2.65Å; H125-D127 PolarHBondContact O-N 3.38Å; H125-E128 PolarHBondContact O-N 2.86Å; H125-A129 WeakPolarHBondContact CB-O 3.31Å; H125-A129 PolarHBondContact N-O 3Å; H125-W131 VanDerWaalsContact CB-CD1 3.49Å; H125-W131 AromaticContact CG-NE1 3.92Å
126T86.4Confident93.8Very high130 Ų13049.2 Ų49.280%0.79824%0.236SC*.THydrogen-bonded Turntrans-68.7-19.1-173.553.80000113.8E128T126-E128 VanDerWaalsContact C-N 3.28Å
127D86.7Confident94.1Very high61 Ų6138.4 Ų38.433%0.32620%0.197SC..THydrogen-bonded Turntrans-92.723.1177.365.5-19.6000112.4H125 A129 Y154H125-D127 WeakPolarHBondContact CB-OD1 3.44Å; H125-D127 IonicContact CE1-OD1 3.99Å; H125-D127 IonicContact CG-OD1 2.6Å; H125-D127 IonicContact ND1-OD1 3.59Å; H125-D127 PolarHBondContact ND1-OD1 2.81Å; H125-D127 IonicContact ND1-OD2 2.65Å; H125-D127 PolarHBondContact O-N 3.38Å; D127-A129 PolarHBondContact O-N 2.87Å; D127-A129 WeakPolarHBondContact OD1-CB 3.5Å; D127-A129 PolarHBondContact OD1-N 2.87Å; D127-Y154 WeakPolarHBondContact O-CE1 3.5Å; D127-Y154 PolarHBondContact OD2-OH 2.81Å
128E90.1Very high93.8Very high116 Ų11640.3 Ų40.354%0.54221%0.207SC..SBendtrans65.8-2.6-175.4-58.9-65.7109.200115.2K124 H125 T126K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 WeakPolarHBondContact CE-OE2 3.31Å; K124-E128 IonicContact NZ-OE1 2.85Å; K124-E128 PolarHBondContact NZ-OE1 2.94Å; K124-E128 IonicContact NZ-OE2 3.65Å; K124-E128 PolarHBondContact NZ-OE2 3.35Å; H125-E128 PolarHBondContact O-N 2.86Å; T126-E128 VanDerWaalsContact C-N 3.28Å
129A94.6Very high93Very high0 Ų041.9 Ų41.90%023%0.229CC..  trans-69.4136.517800000111.7H125 D127 V152 Y154H125-A129 WeakPolarHBondContact CB-O 3.31Å; H125-A129 PolarHBondContact N-O 3Å; D127-A129 PolarHBondContact O-N 2.87Å; D127-A129 WeakPolarHBondContact OD1-CB 3.5Å; D127-A129 PolarHBondContact OD1-N 2.87Å; A129-V152 HydrophobicContact CB-CG1 3.91Å; A129-Y154 HydrophobicContact CB-CD1 4.15Å; A129-Y154 HydrophobicContact CB-CE1 3.68Å; A129-Y154 HydrophobicContact CB-CE2 4.21Å
130V97.2Very high92Very high2 Ų248.5 Ų48.51%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-93.4112.3171.8-175.90000108.8L100 F103 I122 I132 V152 H153 L155L100-V130 HydrophobicContact CD1-CB 4.5Å; L100-V130 HydrophobicContact CD1-CG1 3.98Å; L100-V130 HydrophobicContact CD1-CG2 3.63Å; F103-V130 HydrophobicContact CD1-CG1 4.37Å; F103-V130 HydrophobicContact CE1-CG1 3.98Å; I122-V130 HydrophobicContact CG2-CG1 3.36Å; V130-I132 HydrophobicContact CG1-CG1 4.21Å; V130-V152 WeakPolarHBondContact O-CA 3.31Å; V130-H153 WeakPolarHBondContact CA-O 3.33Å; V130-H153 WeakPolarHBondContact CB-O 3.38Å; V130-H153 PolarHBondContact N-O 3.38Å; V130-H153 PolarHBondContact O-N 2.8Å; V130-L155 HydrophobicContact CG2-CD1 4.04Å; V130-L155 HydrophobicContact CG2-CG 3.93Å
131W97.7Very high91.3Very high9 Ų950.1 Ų50.13%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-93.1128.9175.2-74.874.7000110.2M71 V74 T75 P78 W83 I122 K123 H125 V151 V152 L196M71-W131 HydrophobicContact CE-CB 3.49Å; M71-W131 VanDerWaalsContact CE-CB 3.49Å; M71-W131 WeakPolarHBondContact CE-O 3.28Å; V74-W131 HydrophobicContact CG1-CZ3 4.02Å; T75-W131 HydrophobicContact CG2-CB 4.29Å; T75-W131 HydrophobicContact CG2-CD2 3.38Å; T75-W131 HydrophobicContact CG2-CE3 3.62Å; T75-W131 HydrophobicContact CG2-CG 3.7Å; T75-W131 HydrophobicContact CG2-CH2 4.45Å; T75-W131 HydrophobicContact CG2-CZ2 4.24Å; T75-W131 HydrophobicContact CG2-CZ3 4.17Å; P78-W131 HydrophobicContact CB-CH2 3.94Å; W83-W131 HydrophobicContact CH2-CH2 4.17Å; W83-W131 AromaticContact CH2-CZ3 3.84Å; W83-W131 HydrophobicContact CH2-CZ3 3.84Å; W83-W131 HydrophobicContact CZ2-CH2 4.22Å; W83-W131 HydrophobicContact CZ2-CZ3 4.2Å; I122-W131 CarbonylContact C-O 3.56Å; I122-W131 VanDerWaalsContact CA-O 3.31Å; I122-W131 WeakPolarHBondContact CA-O 3.36Å; K123-W131 PolarHBondContact N-O 3.11Å; K123-W131 PolarHBondContact O-N 3.46Å; H125-W131 VanDerWaalsContact CB-CD1 3.49Å; H125-W131 AromaticContact CG-NE1 3.92Å; W131-V151 CarbonylContact C-O 3.46Å; W131-V151 WeakPolarHBondContact CA-O 3.32Å; W131-V152 HydrophobicContact CD2-CG2 3.61Å; W131-V152 HydrophobicContact CE3-CG2 3.53Å; W131-V152 HydrophobicContact CG-CG2 4.36Å; W131-V152 HydrophobicContact CH2-CG2 3.62Å; W131-V152 HydrophobicContact CZ2-CG2 3.72Å; W131-V152 HydrophobicContact CZ3-CG2 3.53Å; W131-L196 HydrophobicContact CH2-CD2 3.82Å; W131-L196 HydrophobicContact CZ2-CD2 3.91Å
132I98.2Very high90.8Very high0 Ų057.4 Ų57.40%030%0.3CS..EExtended strand (participates in β ladder)trans-123.7127.5-179.1-45.7172.3000108.2F103 F107 V120 K121 I122 V130 V134 Y150 V151 L177F103-I132 HydrophobicContact CE1-CD1 3.75Å; F103-I132 HydrophobicContact CZ-CD1 3.64Å; F107-I132 HydrophobicContact CD1-CG2 4.42Å; F107-I132 HydrophobicContact CE1-CG2 3.7Å; F107-I132 HydrophobicContact CZ-CD1 4.43Å; F107-I132 HydrophobicContact CZ-CG2 4.15Å; V120-I132 HydrophobicContact CG1-CG2 4.12Å; K121-I132 CarbonylContact O-C 3.53Å; K121-I132 VanDerWaalsContact O-CA 3.31Å; K121-I132 WeakPolarHBondContact O-CA 3.43Å; I122-I132 HydrophobicContact CG1-CB 4.42Å; I122-I132 HydrophobicContact CG1-CG1 4.17Å; I122-I132 HydrophobicContact CG1-CG2 3.95Å; I122-I132 HydrophobicContact CG2-CG1 4.26Å; V130-I132 HydrophobicContact CG1-CG1 4.21Å; I132-V134 HydrophobicContact CG2-CG2 3.86Å; I132-Y150 CarbonylContact O-C 3.2Å; I132-Y150 WeakPolarHBondContact O-CA 3.47Å; I132-V151 HydrophobicContact CB-CB 4.03Å; I132-V151 HydrophobicContact CD1-CB 4.29Å; I132-V151 HydrophobicContact CD1-CG1 4.38Å; I132-V151 HydrophobicContact CG1-CB 4.44Å; I132-V151 PolarHBondContact N-O 3.46Å; I132-V151 PolarHBondContact O-N 2.8Å; I132-L177 HydrophobicContact CD1-CD2 4.48Å
133R97.4Very high90.5Very high1 Ų157.6 Ų57.60%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-110.1124.8171.5-179.4-170.7-180-67.7-3.6108.3E70 V120 K121 H145 A148 Y150E70-R133 IonicContact OE2-CZ 3.71Å; E70-R133 IonicContact OE2-NE 3.27Å; E70-R133 PolarHBondContact OE2-NE 2.59Å; E70-R133 IonicContact OE2-NH2 2.77Å; E70-R133 PolarHBondContact OE2-NH2 2.87Å; V120-R133 WeakPolarHBondContact CA-O 3.03Å; K121-R133 HydrophobicContact CB-CB 4.36Å; K121-R133 PolarHBondContact N-O 3.46Å; K121-R133 PolarHBondContact O-N 2.78Å; R133-H145 PolarHBondContact NH1-ND1 2.93Å; R133-H145 PolarHBondContact NH2-O 3.14Å; R133-A148 HydrophobicContact CG-CB 3.94Å; R133-Y150 HydrophobicContact CB-CD1 4.23Å; R133-Y150 HydrophobicContact CB-CE1 4.02Å; R133-Y150 HydrophobicContact CG-CD1 4.31Å; R133-Y150 HydrophobicContact CG-CE1 3.74Å
134V97.4Very high90.4Very high0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans-121116.8177.7-171.70000109.4F107 L111 V118 S119 V120 I132 W136 A148 T149 L173F107-V134 HydrophobicContact CE1-CG2 4.34Å; F107-V134 HydrophobicContact CZ-CG2 4.38Å; L111-V134 HydrophobicContact CD2-CG1 3.79Å; L111-V134 HydrophobicContact CD2-CG2 4.36Å; V118-V134 HydrophobicContact CG2-CG1 3.53Å; S119-V134 WeakPolarHBondContact O-CA 3.13Å; V120-V134 HydrophobicContact CG2-CG1 4.47Å; I132-V134 HydrophobicContact CG2-CG2 3.86Å; V134-W136 HydrophobicContact CB-CZ2 4.09Å; V134-W136 HydrophobicContact CG1-CD2 3.81Å; V134-W136 VanDerWaalsContact CG1-CE2 3.48Å; V134-W136 HydrophobicContact CG1-CE3 4.11Å; V134-W136 HydrophobicContact CG1-CG 4.47Å; V134-W136 HydrophobicContact CG1-CH2 3.87Å; V134-W136 HydrophobicContact CG1-CZ2 3.53Å; V134-W136 HydrophobicContact CG1-CZ3 4.15Å; V134-A148 CarbonylContact O-C 3.56Å; V134-A148 VanDerWaalsContact O-CA 3.31Å; V134-A148 WeakPolarHBondContact O-CA 3.16Å; V134-T149 PolarHBondContact N-O 3.34Å; V134-T149 PolarHBondContact O-N 2.87Å; V134-L173 HydrophobicContact CG2-CD1 4.43Å
135A95.7Very high90.3Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-100.9132.4166.800000109.7V118 S119 P143V118-A135 WeakPolarHBondContact CA-O 3.46Å; V118-A135 WeakPolarHBondContact CG2-O 3.47Å; S119-A135 PolarHBondContact N-O 2.64Å; S119-A135 PolarHBondContact O-N 2.91Å; A135-P143 HydrophobicContact CB-CB 4.05Å
136W94.5Very high90.1Very high15 Ų1552.1 Ų52.16%0.05728%0.284CS..EExtended strand (participates in β ladder)trans-106.3132.3-171.3-52.995.8000111L111 K115 V118 V134 N144 T149 N169 L172 L173L111-W136 HydrophobicContact CD1-CH2 3.88Å; L111-W136 HydrophobicContact CD1-CZ3 3.86Å; L111-W136 HydrophobicContact CD2-CH2 4.34Å; L111-W136 HydrophobicContact CD2-CZ3 4.4Å; L111-W136 HydrophobicContact CG-CZ3 4.44Å; K115-W136 HydrophobicContact CD-CE3 4.35Å; V118-W136 HydrophobicContact CG2-CE3 4.28Å; V134-W136 HydrophobicContact CB-CZ2 4.09Å; V134-W136 HydrophobicContact CG1-CD2 3.81Å; V134-W136 VanDerWaalsContact CG1-CE2 3.48Å; V134-W136 HydrophobicContact CG1-CE3 4.11Å; V134-W136 HydrophobicContact CG1-CG 4.47Å; V134-W136 HydrophobicContact CG1-CH2 3.87Å; V134-W136 HydrophobicContact CG1-CZ2 3.53Å; V134-W136 HydrophobicContact CG1-CZ3 4.15Å; W136-N144 PolarHBondContact O-N 3.37Å; W136-T149 PolarHBondContact NE1-OG1 3.39Å; W136-N169 WeakPolarHBondContact CB-ND2 3.21Å; W136-N169 HydrophobicContact CD2-CB 3.75Å; W136-N169 HydrophobicContact CE3-CB 3.92Å; W136-N169 HydrophobicContact CG-CB 4.32Å; W136-N169 HydrophobicContact CH2-CB 4.01Å; W136-N169 HydrophobicContact CZ2-CB 3.85Å; W136-N169 HydrophobicContact CZ3-CB 4.05Å; W136-L172 HydrophobicContact CZ3-CB 4.46Å; W136-L173 HydrophobicContact CH2-CB 3.89Å; W136-L173 HydrophobicContact CH2-CD1 4.36Å; W136-L173 HydrophobicContact CZ2-CB 4.06Å; W136-L173 HydrophobicContact CZ2-CD1 4.33Å
137G91Very high90.3Very high6 Ų653.5 Ų53.56%0.06228%0.279CS..  trans-95.1172.7165.600000111.6K115 N117K115-G137 WeakPolarHBondContact CE-O 3.39Å; K115-G137 PolarHBondContact NZ-O 3.33Å; N117-G137 VanDerWaalsContact O-CA 3.31Å; N117-G137 WeakPolarHBondContact O-CA 3.27Å; N117-G137 PolarHBondContact O-N 2.94Å
138D84Confident90.7Very high88 Ų8851 Ų5147%0.47127%0.266SS..  trans-133.3131.4173.3-155.98.6000111.3L140 S141 K168D138-L140 PolarHBondContact O-N 2.84Å; D138-L140 VanDerWaalsContact O-N 3.14Å; D138-S141 PolarHBondContact N-OG 3.5Å; D138-S141 VanDerWaalsContact O-CB 3.32Å; D138-S141 WeakPolarHBondContact O-CB 3.26Å; D138-S141 PolarHBondContact O-N 3.21Å; D138-S141 PolarHBondContact O-OG 2.83Å; D138-K168 IonicContact OD1-NZ 2.65Å; D138-K168 PolarHBondContact OD1-NZ 3.37Å; D138-K168 IonicContact OD2-NZ 2.79Å; D138-K168 PolarHBondContact OD2-NZ 2.91Å
139G77.8Confident91Very high62 Ų6245.5 Ų45.564%0.63924%0.241SC*.THydrogen-bonded Turntrans50.7-120.1-172.300000111.8N117N117-G139 PolarHBondContact ND2-O 2.82Å
140L72.9Confident91.1Very high175 Ų17546.1 Ų46.192%0.91624%0.243SC*.THydrogen-bonded Turntrans-87.5-2.8177.9-64.9168.9000114.2D138D138-L140 PolarHBondContact O-N 2.84Å; D138-L140 VanDerWaalsContact O-N 3.14Å
141S82.1Confident91.2Very high62 Ų6246 Ų4643%0.43424%0.242SC..SBendtrans-74.9145.6-176.966.50000112.6N117 D138N117-S141 VanDerWaalsContact CB-O 3.31Å; N117-S141 WeakPolarHBondContact CB-O 3.46Å; N117-S141 PolarHBondContact ND2-O 3.43Å; D138-S141 PolarHBondContact N-OG 3.5Å; D138-S141 VanDerWaalsContact O-CB 3.32Å; D138-S141 WeakPolarHBondContact O-CB 3.26Å; D138-S141 PolarHBondContact O-N 3.21Å; D138-S141 PolarHBondContact O-OG 2.83Å
142R86.4Confident91.2Very high196 Ų19645.6 Ų45.674%0.7424%0.241SC*.PPolyproline II helixtrans-60.8152.4175-66.9-176.7-179.2-178.31.1110.9N144R142-N144 PolarHBondContact O-N 2.96Å
143P90.6Very high91.1Very high24 Ų2445.8 Ų45.816%0.15624%0.242CC..PPolyproline II helixtrans-52.6130175.8-27.635.5000113.2A135 H145A135-P143 HydrophobicContact CB-CB 4.05Å; P143-H145 PolarHBondContact O-CD2 2.9Å; P143-H145 PolarHBondContact O-N 3.43Å
144N91.6Very high91Very high69 Ų6947 Ų4737%0.36925%0.247SC..EExtended strand (participates in β ladder)trans-79.892.4177.2-173.5-9.5000110.7W136 R142 L146 K147W136-N144 PolarHBondContact O-N 3.37Å; R142-N144 PolarHBondContact O-N 2.96Å; N144-L146 PolarHBondContact O-N 3.31Å; N144-L146 VanDerWaalsContact OD1-CB 3.25Å; N144-L146 WeakPolarHBondContact OD1-CB 3.21Å; N144-L146 PolarHBondContact OD1-N 2.91Å; N144-K147 PolarHBondContact O-N 2.85Å
145H91.8Very high90.7Very high18 Ų1848.7 Ų48.78%0.08326%0.255CS..EExtended strand (participates in β ladder)trans-67.7-12.5178.9-71.9-88.4000114.2L8 S119 R133 P143L8-H145 HydrophobicContact CD1-CB 3.59Å; L8-H145 HydrophobicContact CD2-CB 3.77Å; L8-H145 HydrophobicContact CG-CB 4.29Å; S119-H145 PolarHBondContact OG-CE1 2.86Å; R133-H145 PolarHBondContact NH1-ND1 2.93Å; R133-H145 PolarHBondContact NH2-O 3.14Å; P143-H145 PolarHBondContact O-CD2 2.9Å; P143-H145 PolarHBondContact O-N 3.43Å
146L88.2Confident90.4Very high61 Ų6155 Ų5532%0.31929%0.285SS..EExtended strand (participates in β ladder)trans-80.5-15.7178.2-67169.1000113.2L8 R11 N144L8-L146 HydrophobicContact CD2-CD2 3.56Å; L8-L146 HydrophobicContact CD2-CG 4.01Å; L8-L146 HydrophobicContact CG-CD2 4.37Å; R11-L146 VanDerWaalsContact NH1-CB 3.32Å; R11-L146 PolarHBondContact NH1-O 3.23Å; N144-L146 PolarHBondContact O-N 3.31Å; N144-L146 VanDerWaalsContact OD1-CB 3.25Å; N144-L146 WeakPolarHBondContact OD1-CB 3.21Å; N144-L146 PolarHBondContact OD1-N 2.91Å
147K90.4Very high90.2Very high159 Ų15955.4 Ų55.469%0.69129%0.289SS*.EExtended strand (participates in β ladder)trans-132.556.6-179.1-66.4-174.4178-178.90110N144N144-K147 PolarHBondContact O-N 2.85Å
148A94.4Very high90.4Very high7 Ų757.2 Ų57.26%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-73.8142.117700000111.5R133 V134 Y150R133-A148 HydrophobicContact CG-CB 3.94Å; V134-A148 CarbonylContact O-C 3.56Å; V134-A148 VanDerWaalsContact O-CA 3.31Å; V134-A148 WeakPolarHBondContact O-CA 3.16Å; A148-Y150 HydrophobicContact CB-CE2 4.17Å
149T96.9Very high91Very high1 Ų155.2 Ų55.21%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-87.9140.6167.9-59.10000109V134 W136 V162 N163 A164 L165 L173V134-T149 PolarHBondContact N-O 3.34Å; V134-T149 PolarHBondContact O-N 2.87Å; W136-T149 PolarHBondContact NE1-OG1 3.39Å; T149-V162 HydrophobicContact CG2-CG1 3.62Å; T149-N163 WeakPolarHBondContact CA-O 3.5Å; T149-N163 WeakPolarHBondContact CG2-O 3.45Å; T149-A164 PolarHBondContact OG1-O 3.41Å; T149-L165 HydrophobicContact CG2-CB 4.26Å; T149-L165 HydrophobicContact CG2-CD1 4Å; T149-L173 HydrophobicContact CG2-CD2 4.02Å
150Y97.8Very high91.9Very high13 Ų1352.2 Ų52.25%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-114.8134.5176.4-65.8-88.3000109.7E70 V74 I132 R133 A148 V162 N163E70-Y150 WeakPolarHBondContact CG-OH 3.41Å; E70-Y150 PolarHBondContact OE1-OH 3.36Å; E70-Y150 PolarHBondContact OE2-OH 2.87Å; E70-Y150 VanDerWaalsContact OE2-OH 3.11Å; V74-Y150 HydrophobicContact CB-CD1 4.44Å; V74-Y150 HydrophobicContact CB-CE1 4.06Å; V74-Y150 HydrophobicContact CG1-CD1 3.76Å; V74-Y150 HydrophobicContact CG1-CD2 4.35Å; V74-Y150 HydrophobicContact CG1-CE1 3.87Å; V74-Y150 HydrophobicContact CG1-CE2 4.45Å; V74-Y150 HydrophobicContact CG1-CG 4.01Å; V74-Y150 HydrophobicContact CG2-CE1 4.04Å; V74-Y150 HydrophobicContact CG2-CE2 4.24Å; I132-Y150 CarbonylContact O-C 3.2Å; I132-Y150 WeakPolarHBondContact O-CA 3.47Å; R133-Y150 HydrophobicContact CB-CD1 4.23Å; R133-Y150 HydrophobicContact CB-CE1 4.02Å; R133-Y150 HydrophobicContact CG-CD1 4.31Å; R133-Y150 HydrophobicContact CG-CE1 3.74Å; A148-Y150 HydrophobicContact CB-CE2 4.17Å; Y150-V162 CarbonylContact O-C 3.56Å; Y150-V162 WeakPolarHBondContact O-CA 3.41Å; Y150-N163 PolarHBondContact N-O 3.29Å; Y150-N163 PolarHBondContact O-N 2.92Å
151V98.2Very high93.1Very high0 Ų043.9 Ų43.90%021%0.212CC..EExtended strand (participates in β ladder)trans-123.1139.2174.8-172.50000108.7W131 I132 V160 F161 V162 L173 L177W131-V151 CarbonylContact C-O 3.46Å; W131-V151 WeakPolarHBondContact CA-O 3.32Å; I132-V151 HydrophobicContact CB-CB 4.03Å; I132-V151 HydrophobicContact CD1-CB 4.29Å; I132-V151 HydrophobicContact CD1-CG1 4.38Å; I132-V151 HydrophobicContact CG1-CB 4.44Å; I132-V151 PolarHBondContact N-O 3.46Å; I132-V151 PolarHBondContact O-N 2.8Å; V151-V160 HydrophobicContact CG1-CG1 3.3Å; V151-F161 CarbonylContact C-O 3.55Å; V151-F161 VanDerWaalsContact CA-O 3.24Å; V151-F161 WeakPolarHBondContact CA-O 3.48Å; V151-V162 HydrophobicContact CG1-CG2 4.19Å; V151-V162 HydrophobicContact CG2-CG1 4.19Å; V151-V162 HydrophobicContact CG2-CG2 4.21Å; V151-L173 HydrophobicContact CG2-CD1 4.14Å; V151-L173 HydrophobicContact CG2-CD2 3.87Å; V151-L177 HydrophobicContact CG1-CD2 4.33Å
152V97.9Very high93.8Very high1 Ų141 Ų411%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-122.9130.6170.9-175.60000107.6W83 A129 V130 W131 Y154 F161 L196W83-V152 HydrophobicContact CH2-CG2 3.67Å; W83-V152 HydrophobicContact CZ3-CB 4.5Å; W83-V152 HydrophobicContact CZ3-CG2 3.79Å; A129-V152 HydrophobicContact CB-CG1 3.91Å; V130-V152 WeakPolarHBondContact O-CA 3.31Å; W131-V152 HydrophobicContact CD2-CG2 3.61Å; W131-V152 HydrophobicContact CE3-CG2 3.53Å; W131-V152 HydrophobicContact CG-CG2 4.36Å; W131-V152 HydrophobicContact CH2-CG2 3.62Å; W131-V152 HydrophobicContact CZ2-CG2 3.72Å; W131-V152 HydrophobicContact CZ3-CG2 3.53Å; V152-Y154 HydrophobicContact CG1-CE2 4.35Å; V152-F161 HydrophobicContact CB-CB 4.25Å; V152-F161 HydrophobicContact CB-CD2 4.45Å; V152-F161 PolarHBondContact N-O 3.11Å; V152-F161 WeakPolarHBondContact O-CD2 3.23Å; V152-F161 PolarHBondContact O-N 3.19Å; V152-L196 HydrophobicContact CB-CD2 4.39Å; V152-L196 HydrophobicContact CG1-CD2 4.4Å; V152-L196 HydrophobicContact CG2-CD2 3.92Å
153H96.8Very high94.3Very high3 Ų332.5 Ų32.51%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-145.5138.5-179.9176.551.9000110.3V130 T157 Y159 V160V130-H153 WeakPolarHBondContact CA-O 3.33Å; V130-H153 WeakPolarHBondContact CB-O 3.38Å; V130-H153 PolarHBondContact N-O 3.38Å; V130-H153 PolarHBondContact O-N 2.8Å; H153-T157 PolarHBondContact CE1-O 3Å; H153-Y159 PolarHBondContact ND1-O 3.04Å; H153-V160 HydrophobicContact CB-CG2 4.44Å
154Y94.3Very high94.4Very high28 Ų2834.1 Ų34.111%0.1118%0.176CC..  trans-102.7112.7169.9-59.9-102.5000106.1D127 A129 V152 Q156 T157 F161 R200D127-Y154 WeakPolarHBondContact O-CE1 3.5Å; D127-Y154 PolarHBondContact OD2-OH 2.81Å; A129-Y154 HydrophobicContact CB-CD1 4.15Å; A129-Y154 HydrophobicContact CB-CE1 3.68Å; A129-Y154 HydrophobicContact CB-CE2 4.21Å; V152-Y154 HydrophobicContact CG1-CE2 4.35Å; Y154-Q156 PolarHBondContact O-N 3.38Å; Y154-T157 PolarHBondContact O-N 3.08Å; Y154-T157 PolarHBondContact O-OG1 2.83Å; Y154-F161 HydrophobicContact CD2-CE2 4.37Å; Y154-F161 HydrophobicContact CE2-CE2 4.27Å; Y154-R200 HydrophobicContact CE2-CG 4.24Å; Y154-R200 VanDerWaalsContact OH-CD 3.24Å; Y154-R200 WeakPolarHBondContact OH-CD 3.34Å; Y154-R200 PolarHBondContact OH-NH1 2.82Å
155L91.8Very high94.2Very high34 Ų3432.5 Ų32.518%0.17817%0.167CC..THydrogen-bonded Turntrans-55.4-27.1-171.3-67172.3000113.4L100 F103 V130 T157L100-L155 HydrophobicContact CB-CD1 4.14Å; L100-L155 HydrophobicContact CD1-CD1 4.22Å; F103-L155 HydrophobicContact CB-CD2 4.07Å; F103-L155 HydrophobicContact CD1-CD2 4.05Å; F103-L155 HydrophobicContact CD2-CD2 3.8Å; F103-L155 HydrophobicContact CE1-CD2 4.5Å; F103-L155 HydrophobicContact CE2-CD2 4.26Å; F103-L155 HydrophobicContact CG-CD2 3.68Å; V130-L155 HydrophobicContact CG2-CD1 4.04Å; V130-L155 HydrophobicContact CG2-CG 3.93Å; L155-T157 VanDerWaalsContact C-N 3.26Å; L155-T157 PolarHBondContact O-N 2.77Å
156Q88Confident94.2Very high133 Ų13334 Ų3462%0.62118%0.18SC*.THydrogen-bonded Turntrans-857.6179.2-60.6-57.9-30.400113.9H96 Y154H96-Q156 PolarHBondContact O-NE2 3.25Å; H96-Q156 PolarHBondContact O-OE1 3.41Å; Y154-Q156 PolarHBondContact O-N 3.38Å
157T92.1Very high94.3Very high23 Ų2336.4 Ų36.414%0.14120%0.201CC..SBendtrans-131.7151-176.375.80000110.1H153 Y154 L155 Y159 M204H153-T157 PolarHBondContact CE1-O 3Å; Y154-T157 PolarHBondContact O-N 3.08Å; Y154-T157 PolarHBondContact O-OG1 2.83Å; L155-T157 VanDerWaalsContact C-N 3.26Å; L155-T157 PolarHBondContact O-N 2.77Å; T157-Y159 PolarHBondContact O-N 3.4Å; T157-Y159 PolarHBondContact OG1-N 3.13Å; T157-M204 HydrophobicContact CG2-CE 3.56Å; T157-M204 HydrophobicContact CG2-SD 4.29Å
158P94Very high94.3Very high45 Ų4534.6 Ų34.629%0.29219%0.193SC..SBendtrans-785.8176.432.9-36.2000112.9Q87 L88Q87-P158 CarbonylContact C-O 3.59Å; Q87-P158 WeakPolarHBondContact CA-O 3.24Å; Q87-P158 HydrophobicContact CG-CB 4.41Å; L88-P158 HydrophobicContact CB-CB 4.28Å; L88-P158 WeakPolarHBondContact CB-O 3.4Å; L88-P158 PolarHBondContact N-O 2.91Å; L88-P158 WeakPolarHBondContact O-CB 3.42Å
159Y96.1Very high94.2Very high45 Ų4534.9 Ų34.918%0.17619%0.194CC..EExtended strand (participates in β ladder)trans-102.4136.5-170.1-59.2-61.3000112.6F86 Q87 H153 T157 L203 M204F86-Y159 WeakPolarHBondContact O-CA 3.48Å; Q87-Y159 HydrophobicContact CB-CD1 4.29Å; Q87-Y159 HydrophobicContact CB-CE1 4.31Å; Q87-Y159 HydrophobicContact CG-CD1 4.24Å; Q87-Y159 HydrophobicContact CG-CE1 3.96Å; H153-Y159 PolarHBondContact ND1-O 3.04Å; T157-Y159 PolarHBondContact O-N 3.4Å; T157-Y159 PolarHBondContact OG1-N 3.13Å; Y159-L203 HydrophobicContact CD1-CB 4.2Å; Y159-L203 HydrophobicContact CD1-CD1 3.93Å; Y159-L203 HydrophobicContact CD1-CD2 4.4Å; Y159-L203 HydrophobicContact CD1-CG 4.41Å; Y159-L203 HydrophobicContact CD2-CB 4.09Å; Y159-L203 HydrophobicContact CE1-CB 4.16Å; Y159-L203 HydrophobicContact CE1-CD1 4.42Å; Y159-L203 HydrophobicContact CE1-CD2 4.08Å; Y159-L203 HydrophobicContact CE1-CG 4.45Å; Y159-L203 HydrophobicContact CE2-CB 4.03Å; Y159-L203 WeakPolarHBondContact CE2-O 3.14Å; Y159-L203 HydrophobicContact CG-CB 4.16Å; Y159-L203 HydrophobicContact CG-CD1 4.21Å; Y159-L203 PolarHBondContact OH-O 3.26Å; Y159-M204 HydrophobicContact CD2-CG 3.93Å; Y159-M204 HydrophobicContact CE2-CG 4.28Å
160V97.6Very high94.1Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-128.3132.1177.3-175.70000109.6T85 F86 L88 V151 H153 V162 L177T85-V160 CarbonylContact C-O 3.56Å; T85-V160 WeakPolarHBondContact CA-O 3.41Å; F86-V160 HydrophobicContact CB-CB 4.44Å; F86-V160 PolarHBondContact N-O 3.07Å; F86-V160 PolarHBondContact O-N 3.5Å; L88-V160 HydrophobicContact CD1-CG2 4.03Å; L88-V160 HydrophobicContact CG-CG2 4.24Å; V151-V160 HydrophobicContact CG1-CG1 3.3Å; H153-V160 HydrophobicContact CB-CG2 4.44Å; V160-V162 HydrophobicContact CG1-CG2 4.08Å; V160-L177 HydrophobicContact CG1-CD1 3.88Å; V160-L177 HydrophobicContact CG1-CD2 4.41Å
161F97.8Very high94Very high0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-110.8128.2179.4-51.1-96.3000109.1W83 T85 V151 V152 Y154 L196 L199 R200 L203W83-F161 HydrophobicContact CE3-CB 3.85Å; W83-F161 HydrophobicContact CZ3-CB 4.31Å; T85-F161 HydrophobicContact CG2-CD1 3.61Å; T85-F161 HydrophobicContact CG2-CE1 3.81Å; V151-F161 CarbonylContact C-O 3.55Å; V151-F161 VanDerWaalsContact CA-O 3.24Å; V151-F161 WeakPolarHBondContact CA-O 3.48Å; V152-F161 HydrophobicContact CB-CB 4.25Å; V152-F161 HydrophobicContact CB-CD2 4.45Å; V152-F161 PolarHBondContact N-O 3.11Å; V152-F161 WeakPolarHBondContact O-CD2 3.23Å; V152-F161 PolarHBondContact O-N 3.19Å; Y154-F161 HydrophobicContact CD2-CE2 4.37Å; Y154-F161 HydrophobicContact CE2-CE2 4.27Å; F161-L196 HydrophobicContact CB-CD1 3.53Å; F161-L196 HydrophobicContact CD1-CD1 3.64Å; F161-L196 HydrophobicContact CD2-CD1 4.25Å; F161-L196 HydrophobicContact CE1-CD1 4.49Å; F161-L196 HydrophobicContact CG-CD1 3.54Å; F161-L199 HydrophobicContact CD1-CB 4.27Å; F161-L199 HydrophobicContact CE1-CB 4.03Å; F161-R200 HydrophobicContact CE1-CB 4.2Å; F161-R200 HydrophobicContact CZ-CB 3.87Å; F161-R200 HydrophobicContact CZ-CG 4.27Å; F161-L203 HydrophobicContact CE1-CD1 3.99Å; F161-L203 HydrophobicContact CZ-CD1 4.25Å
162V97.9Very high93.9Very high0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-128.3133.3-176.8-169.90000111.3W83 H84 F86 T149 Y150 V151 V160 L165 L173W83-V162 CarbonylContact C-O 3.3Å; W83-V162 WeakPolarHBondContact CA-O 3.25Å; H84-V162 PolarHBondContact N-O 2.73Å; H84-V162 PolarHBondContact O-N 3.43Å; F86-V162 HydrophobicContact CD2-CB 4.45Å; F86-V162 HydrophobicContact CD2-CG2 3.78Å; F86-V162 HydrophobicContact CE2-CB 4.05Å; F86-V162 HydrophobicContact CE2-CG2 3.78Å; T149-V162 HydrophobicContact CG2-CG1 3.62Å; Y150-V162 CarbonylContact O-C 3.56Å; Y150-V162 WeakPolarHBondContact O-CA 3.41Å; V151-V162 HydrophobicContact CG1-CG2 4.19Å; V151-V162 HydrophobicContact CG2-CG1 4.19Å; V151-V162 HydrophobicContact CG2-CG2 4.21Å; V160-V162 HydrophobicContact CG1-CG2 4.08Å; V162-L165 HydrophobicContact CG1-CB 3.79Å; V162-L165 HydrophobicContact CG1-CD2 4.04Å; V162-L165 HydrophobicContact CG1-CG 4.35Å; V162-L173 HydrophobicContact CG1-CD2 3.87Å; V162-L173 HydrophobicContact CG2-CD2 4.39Å
163N96.8Very high93.8Very high18 Ų1843.8 Ų43.810%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-121.9146.1174.8-176.82.3000110.5Q80 M82 W83 T149 Y150 L165Q80-N163 PolarHBondContact O-ND2 3.14Å; M82-N163 PolarHBondContact O-OD1 3.23Å; M82-N163 VanDerWaalsContact O-OD1 3.11Å; W83-N163 HydrophobicContact CD2-CB 3.71Å; W83-N163 HydrophobicContact CE3-CB 3.6Å; W83-N163 HydrophobicContact CG-CB 4.39Å; W83-N163 HydrophobicContact CH2-CB 3.9Å; W83-N163 HydrophobicContact CZ2-CB 4Å; W83-N163 HydrophobicContact CZ3-CB 3.69Å; T149-N163 WeakPolarHBondContact CA-O 3.5Å; T149-N163 WeakPolarHBondContact CG2-O 3.45Å; Y150-N163 PolarHBondContact N-O 3.29Å; Y150-N163 PolarHBondContact O-N 2.92Å; N163-L165 PolarHBondContact O-N 3.49Å
164A92.1Very high93.8Very high58 Ų5844.7 Ų44.748%0.47925%0.247SC..SBendtrans56.743.7179.500000113.8T149T149-A164 PolarHBondContact OG1-O 3.41Å
165L87.9Confident93.9Very high36 Ų3647.9 Ų47.919%0.18826%0.263CS..  trans-88.9125175.3-173.659.3000111F86 T149 V162 N163 K170 L173F86-L165 HydrophobicContact CZ-CD2 4.41Å; T149-L165 HydrophobicContact CG2-CB 4.26Å; T149-L165 HydrophobicContact CG2-CD1 4Å; V162-L165 HydrophobicContact CG1-CB 3.79Å; V162-L165 HydrophobicContact CG1-CD2 4.04Å; V162-L165 HydrophobicContact CG1-CG 4.35Å; N163-L165 PolarHBondContact O-N 3.49Å; L165-K170 HydrophobicContact CD1-CB 4.43Å; L165-K170 HydrophobicContact CD2-CB 3.77Å; L165-K170 HydrophobicContact CD2-CD 4.28Å; L165-K170 HydrophobicContact CD2-CG 3.7Å; L165-K170 HydrophobicContact CG-CB 3.97Å; L165-K170 HydrophobicContact CG-CG 4.44Å; L165-L173 HydrophobicContact CD1-CB 4.27Å; L165-L173 HydrophobicContact CD1-CD2 3.6Å; L165-L173 HydrophobicContact CD2-CD2 4.23Å
166S90.3Very high94.2Very high49 Ų4946.3 Ų46.334%0.34326%0.255SS..  trans-82.4148.2171.671.20000111.1K168 N169 K170S166-K168 PolarHBondContact O-N 3.49Å; S166-N169 PolarHBondContact O-N 2.83Å; S166-N169 VanDerWaalsContact O-N 3.12Å; S166-N169 WeakPolarHBondContact OG-CB 3.43Å; S166-N169 PolarHBondContact OG-N 3.36Å; S166-N169 PolarHBondContact OG-ND2 3.38Å; S166-N169 VanDerWaalsContact OG-ND2 3.1Å; S166-K170 PolarHBondContact O-N 2.98Å
167S90.3Very high94.6Very high111 Ų11140 Ų4078%0.77623%0.225SC*.THydrogen-bonded Turntrans-56.9-35176.6-49.20000112.6P171S167-P171 WeakPolarHBondContact O-CD 3.18Å
168K90.7Very high94.9Very high121 Ų12139.5 Ų39.553%0.52622%0.223SC..THydrogen-bonded Turntrans-63.7-41.1177.1179.7173.3175.1172.80113D138 S166D138-K168 IonicContact OD1-NZ 2.65Å; D138-K168 PolarHBondContact OD1-NZ 3.37Å; D138-K168 IonicContact OD2-NZ 2.79Å; D138-K168 PolarHBondContact OD2-NZ 2.91Å; S166-K168 PolarHBondContact O-N 3.49Å
169N92.4Very high94.9Very high13 Ų1341.2 Ų41.27%0.0723%0.229CC..THydrogen-bonded Turntrans-94.5-10.8-175.9-61.1-35.7000112.9K115 W136 S166 L172 L173K115-N169 PolarHBondContact NZ-OD1 3.01Å; W136-N169 WeakPolarHBondContact CB-ND2 3.21Å; W136-N169 HydrophobicContact CD2-CB 3.75Å; W136-N169 HydrophobicContact CE3-CB 3.92Å; W136-N169 HydrophobicContact CG-CB 4.32Å; W136-N169 HydrophobicContact CH2-CB 4.01Å; W136-N169 HydrophobicContact CZ2-CB 3.85Å; W136-N169 HydrophobicContact CZ3-CB 4.05Å; S166-N169 PolarHBondContact O-N 2.83Å; S166-N169 VanDerWaalsContact O-N 3.12Å; S166-N169 WeakPolarHBondContact OG-CB 3.43Å; S166-N169 PolarHBondContact OG-N 3.36Å; S166-N169 PolarHBondContact OG-ND2 3.38Å; S166-N169 VanDerWaalsContact OG-ND2 3.1Å; N169-L172 PolarHBondContact O-N 3.16Å; N169-L173 PolarHBondContact O-N 3.26Å
170K95Very high94.9Very high88 Ų8839.1 Ų39.138%0.38322%0.22SC..Hα-helixtrans-50.2-55.8177.3179.7173179.7-175.10113.8L165 S166 L172 L173 L174L165-K170 HydrophobicContact CD1-CB 4.43Å; L165-K170 HydrophobicContact CD2-CB 3.77Å; L165-K170 HydrophobicContact CD2-CD 4.28Å; L165-K170 HydrophobicContact CD2-CG 3.7Å; L165-K170 HydrophobicContact CG-CB 3.97Å; L165-K170 HydrophobicContact CG-CG 4.44Å; S166-K170 PolarHBondContact O-N 2.98Å; K170-L172 VanDerWaalsContact C-N 3.31Å; K170-L172 PolarHBondContact O-N 3.11Å; K170-L173 PolarHBondContact O-N 3.48Å; K170-L174 HydrophobicContact CD-CD1 4.49Å; K170-L174 HydrophobicContact CG-CD1 3.76Å; K170-L174 HydrophobicContact CG-CG 4.26Å; K170-L174 WeakPolarHBondContact O-CB 3.49Å; K170-L174 VanDerWaalsContact O-CG 3.26Å; K170-L174 WeakPolarHBondContact O-CG 3.41Å; K170-L174 PolarHBondContact O-N 3Å
171P95.6Very high94.8Very high77 Ų7739.3 Ų39.350%0.522%0.222SC..Hα-helixtrans-60.8-40.4-177.622.5-33.1000112.3S167 L173 L174 Q175S167-P171 WeakPolarHBondContact O-CD 3.18Å; P171-L173 PolarHBondContact O-N 2.97Å; P171-L174 PolarHBondContact O-N 2.91Å; P171-Q175 WeakPolarHBondContact O-CB 3.44Å; P171-Q175 PolarHBondContact O-N 3.2Å
172L95.6Very high94.6Very high37 Ų3740.4 Ų40.419%0.19423%0.226CC..Hα-helixtrans-64.3-43.8-179.8-51.6179.9000112L114 K115 W136 N169 K170 A176L114-L172 HydrophobicContact CB-CD2 4.34Å; K115-L172 HydrophobicContact CD-CD1 3.76Å; W136-L172 HydrophobicContact CZ3-CB 4.46Å; N169-L172 PolarHBondContact O-N 3.16Å; K170-L172 VanDerWaalsContact C-N 3.31Å; K170-L172 PolarHBondContact O-N 3.11Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 2.87Å; L172-A176 VanDerWaalsContact O-N 3.1Å
173L96.9Very high94.5Very high0 Ų041.3 Ų41.30%023%0.231CC..Hα-helixtrans-64.4-47177.7-179.763000111.3F107 V134 W136 T149 V151 V162 L165 N169 K170 P171 A176 L177F107-L173 HydrophobicContact CE2-CD1 4.18Å; F107-L173 HydrophobicContact CZ-CD1 3.79Å; V134-L173 HydrophobicContact CG2-CD1 4.43Å; W136-L173 HydrophobicContact CH2-CB 3.89Å; W136-L173 HydrophobicContact CH2-CD1 4.36Å; W136-L173 HydrophobicContact CZ2-CB 4.06Å; W136-L173 HydrophobicContact CZ2-CD1 4.33Å; T149-L173 HydrophobicContact CG2-CD2 4.02Å; V151-L173 HydrophobicContact CG2-CD1 4.14Å; V151-L173 HydrophobicContact CG2-CD2 3.87Å; V162-L173 HydrophobicContact CG1-CD2 3.87Å; V162-L173 HydrophobicContact CG2-CD2 4.39Å; L165-L173 HydrophobicContact CD1-CB 4.27Å; L165-L173 HydrophobicContact CD1-CD2 3.6Å; L165-L173 HydrophobicContact CD2-CD2 4.23Å; N169-L173 PolarHBondContact O-N 3.26Å; K170-L173 PolarHBondContact O-N 3.48Å; P171-L173 PolarHBondContact O-N 2.97Å; L173-A176 PolarHBondContact O-N 2.77Å; L173-L177 HydrophobicContact CD1-CD1 4.34Å; L173-L177 HydrophobicContact CD1-CG 4.45Å; L173-L177 HydrophobicContact CG-CD1 4Å; L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.03Å
174L97.3Very high94.4Very high22 Ų2246.8 Ų46.812%0.11526%0.256CS..Hα-helixtrans-63.5-43.4-177.6-68.5-177.9000111.1F86 K170 P171 L177 T178 I186F86-L174 HydrophobicContact CD1-CD1 4.23Å; F86-L174 HydrophobicContact CD1-CD2 3.69Å; F86-L174 HydrophobicContact CD2-CD2 4.17Å; F86-L174 HydrophobicContact CE1-CD1 3.87Å; F86-L174 HydrophobicContact CE1-CD2 3.82Å; F86-L174 HydrophobicContact CE1-CG 4.48Å; F86-L174 HydrophobicContact CE2-CD2 4.29Å; F86-L174 HydrophobicContact CG-CD2 3.88Å; F86-L174 HydrophobicContact CZ-CD2 4.12Å; K170-L174 HydrophobicContact CD-CD1 4.49Å; K170-L174 HydrophobicContact CG-CD1 3.76Å; K170-L174 HydrophobicContact CG-CG 4.26Å; K170-L174 WeakPolarHBondContact O-CB 3.49Å; K170-L174 VanDerWaalsContact O-CG 3.26Å; K170-L174 WeakPolarHBondContact O-CG 3.41Å; K170-L174 PolarHBondContact O-N 3Å; P171-L174 PolarHBondContact O-N 2.91Å; L174-L177 HydrophobicContact CD2-CD1 4.46Å; L174-L177 WeakPolarHBondContact O-CB 3.26Å; L174-L177 PolarHBondContact O-N 2.99Å; L174-T178 WeakPolarHBondContact O-CB 3.39Å; L174-T178 PolarHBondContact O-N 3.37Å; L174-T178 PolarHBondContact O-OG1 3.09Å; L174-I186 HydrophobicContact CB-CG2 3.76Å; L174-I186 HydrophobicContact CD2-CD1 3.72Å; L174-I186 HydrophobicContact CD2-CG1 4.32Å; L174-I186 HydrophobicContact CD2-CG2 4.37Å; L174-I186 HydrophobicContact CG-CG2 4.43Å
175Q96.6Very high94.5Very high96 Ų9649.1 Ų49.145%0.44926%0.257SS..Hα-helixtrans-61.1-46.9175.3-175.51791.500112.2L114 P171 L177 T178 L179L114-Q175 HydrophobicContact CD1-CB 4.27Å; L114-Q175 HydrophobicContact CD1-CG 4.25Å; P171-Q175 WeakPolarHBondContact O-CB 3.44Å; P171-Q175 PolarHBondContact O-N 3.2Å; Q175-L177 VanDerWaalsContact C-N 3.29Å; Q175-L177 PolarHBondContact O-N 2.82Å; Q175-T178 PolarHBondContact O-N 2.8Å; Q175-L179 HydrophobicContact CG-CD1 4.12Å; Q175-L179 WeakPolarHBondContact O-CG 3.46Å; Q175-L179 PolarHBondContact O-N 2.76Å; Q175-L179 VanDerWaalsContact O-N 3.1Å
176A97.3Very high95Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-61.4-39.2178.300000112F107 H110 L111 L172 L173 S180F107-A176 HydrophobicContact CD2-CB 4.25Å; F107-A176 HydrophobicContact CE2-CB 4.01Å; H110-A176 HydrophobicContact CB-CB 4.23Å; L111-A176 HydrophobicContact CB-CB 4.15Å; L111-A176 HydrophobicContact CD1-CB 3.87Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 2.87Å; L172-A176 VanDerWaalsContact O-N 3.1Å; L173-A176 PolarHBondContact O-N 2.77Å; A176-S180 WeakPolarHBondContact O-CB 3.22Å; A176-S180 PolarHBondContact O-N 3.06Å; A176-S180 PolarHBondContact O-OG 2.81Å
177L97.3Very high95.2Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-60.9-58174.2-74.3165.4000110.7F107 I132 V151 V160 L173 L174 Q175 L179 S180 T181 I186F107-L177 HydrophobicContact CD2-CD2 4.18Å; F107-L177 HydrophobicContact CE2-CD2 3.71Å; F107-L177 HydrophobicContact CE2-CG 3.89Å; I132-L177 HydrophobicContact CD1-CD2 4.48Å; V151-L177 HydrophobicContact CG1-CD2 4.33Å; V160-L177 HydrophobicContact CG1-CD1 3.88Å; V160-L177 HydrophobicContact CG1-CD2 4.41Å; L173-L177 HydrophobicContact CD1-CD1 4.34Å; L173-L177 HydrophobicContact CD1-CG 4.45Å; L173-L177 HydrophobicContact CG-CD1 4Å; L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.03Å; L174-L177 HydrophobicContact CD2-CD1 4.46Å; L174-L177 WeakPolarHBondContact O-CB 3.26Å; L174-L177 PolarHBondContact O-N 2.99Å; Q175-L177 VanDerWaalsContact C-N 3.29Å; Q175-L177 PolarHBondContact O-N 2.82Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 2.87Å; L177-S180 PolarHBondContact O-N 2.8Å; L177-S180 VanDerWaalsContact O-N 3.09Å; L177-S180 PolarHBondContact O-OG 2.88Å; L177-T181 WeakPolarHBondContact O-CG2 3.43Å; L177-T181 PolarHBondContact O-N 3.34Å; L177-T181 PolarHBondContact O-OG1 3.1Å; L177-I186 HydrophobicContact CB-CD1 4.41Å; L177-I186 HydrophobicContact CD1-CD1 4.41Å
178T96.8Very high95.4Very high14 Ų1448 Ų489%0.08624%0.24CC..Hα-helixtrans-46.9-53.6-179.7-640000112L174 Q175 T181 K182 H183 I186L174-T178 WeakPolarHBondContact O-CB 3.39Å; L174-T178 PolarHBondContact O-N 3.37Å; L174-T178 PolarHBondContact O-OG1 3.09Å; Q175-T178 PolarHBondContact O-N 2.8Å; T178-T181 PolarHBondContact O-N 3.3Å; T178-T181 PolarHBondContact O-OG1 2.94Å; T178-T181 VanDerWaalsContact O-OG1 3.04Å; T178-K182 PolarHBondContact O-N 3.05Å; T178-H183 WeakPolarHBondContact CG2-O 3.22Å; T178-H183 PolarHBondContact O-N 2.74Å; T178-H183 VanDerWaalsContact O-N 3.09Å; T178-I186 WeakPolarHBondContact OG1-CB 3.12Å; T178-I186 WeakPolarHBondContact OG1-CG2 3.43Å
179L95.6Very high95.5Very high81 Ų8142.4 Ų42.442%0.42422%0.216SC..Hα-helixtrans-66.1-43.6-179.4-63.9173.7000112.5H110 Q175 L177 T181 K182H110-L179 VanDerWaalsContact CE1-CB 3.46Å; H110-L179 WeakPolarHBondContact CE1-CB 3.24Å; H110-L179 WeakPolarHBondContact ND1-CB 3.44Å; Q175-L179 HydrophobicContact CG-CD1 4.12Å; Q175-L179 WeakPolarHBondContact O-CG 3.46Å; Q175-L179 PolarHBondContact O-N 2.76Å; Q175-L179 VanDerWaalsContact O-N 3.1Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 2.87Å; L179-T181 PolarHBondContact O-N 3.28Å; L179-K182 PolarHBondContact O-N 2.74Å
180S96.3Very high95.5Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-69.7-19.1-179.6660000114.3F103 Q106 A176 L177F103-S180 VanDerWaalsContact CE2-OG 3.24Å; F103-S180 WeakPolarHBondContact CE2-OG 3.26Å; Q106-S180 PolarHBondContact OE1-O 2.84Å; A176-S180 WeakPolarHBondContact O-CB 3.22Å; A176-S180 PolarHBondContact O-N 3.06Å; A176-S180 PolarHBondContact O-OG 2.81Å; L177-S180 PolarHBondContact O-N 2.8Å; L177-S180 VanDerWaalsContact O-N 3.09Å; L177-S180 PolarHBondContact O-OG 2.88Å
181T94.8Very high95.5Very high4 Ų441 Ų413%0.02521%0.213CC..THydrogen-bonded Turntrans-99.30.2176.456.40000112.8L88 F103 L177 T178 L179 H183L88-T181 HydrophobicContact CD1-CG2 3.91Å; L88-T181 WeakPolarHBondContact CD2-OG1 3.35Å; F103-T181 HydrophobicContact CD2-CG2 4.22Å; F103-T181 HydrophobicContact CE2-CG2 3.83Å; L177-T181 WeakPolarHBondContact O-CG2 3.43Å; L177-T181 PolarHBondContact O-N 3.34Å; L177-T181 PolarHBondContact O-OG1 3.1Å; T178-T181 PolarHBondContact O-N 3.3Å; T178-T181 PolarHBondContact O-OG1 2.94Å; T178-T181 VanDerWaalsContact O-OG1 3.04Å; L179-T181 PolarHBondContact O-N 3.28Å; T181-H183 PolarHBondContact O-CE1 2.93Å; T181-H183 PolarHBondContact O-N 3.12Å; T181-H183 PolarHBondContact O-ND1 3.21Å; T181-H183 PolarHBondContact OG1-ND1 3.24Å
182K94.2Very high95.4Very high23 Ų2338.5 Ų38.510%0.120%0.197CC..THydrogen-bonded Turntrans54.649.2-176.5-51.3-173.6-175.5169.50113.5E92 D94 A95 V98 T178 L179E92-K182 HydrophobicContact CB-CB 4.2Å; E92-K182 WeakPolarHBondContact CB-O 3.35Å; E92-K182 HydrophobicContact CG-CB 4.49Å; E92-K182 WeakPolarHBondContact CG-O 3.16Å; E92-K182 PolarHBondContact N-O 3.06Å; D94-K182 VanDerWaalsContact CG-NZ 3.27Å; D94-K182 WeakPolarHBondContact OD1-CD 3.1Å; D94-K182 IonicContact OD1-NZ 2.74Å; D94-K182 IonicContact OD2-NZ 3.89Å; D94-K182 PolarHBondContact OD2-NZ 2.68Å; A95-K182 HydrophobicContact CB-CB 4.2Å; A95-K182 WeakPolarHBondContact CB-O 3.45Å; V98-K182 HydrophobicContact CG2-CB 4.48Å; V98-K182 HydrophobicContact CG2-CD 3.87Å; V98-K182 HydrophobicContact CG2-CG 3.97Å; T178-K182 PolarHBondContact O-N 3.05Å; L179-K182 PolarHBondContact O-N 2.74Å
183H95.6Very high95.4Very high19 Ų1936.8 Ų36.89%0.08819%0.188CC..EExtended strand (participates in β ladder)trans-118154.3173.2-7373.5000108.4L88 L89 T178 T181L88-H183 HydrophobicContact CB-CB 4.26Å; L88-H183 VanDerWaalsContact CB-CD2 3.45Å; L88-H183 WeakPolarHBondContact CB-CD2 3.49Å; L88-H183 HydrophobicContact CD2-CB 4.2Å; L89-H183 WeakPolarHBondContact O-CB 3.3Å; T178-H183 WeakPolarHBondContact CG2-O 3.22Å; T178-H183 PolarHBondContact O-N 2.74Å; T178-H183 VanDerWaalsContact O-N 3.09Å; T181-H183 PolarHBondContact O-CE1 2.93Å; T181-H183 PolarHBondContact O-N 3.12Å; T181-H183 PolarHBondContact O-ND1 3.21Å; T181-H183 PolarHBondContact OG1-ND1 3.24Å
184Q94.3Very high95.2Very high133 Ų13341.4 Ų41.462%0.62121%0.21SC*.EExtended strand (participates in β ladder)trans-84.9-28.6179.1-56179.35.400112.4L89 D90L89-Q184 PolarHBondContact O-N 2.99Å; D90-Q184 HydrophobicContact CB-CB 3.96Å; D90-Q184 HydrophobicContact CB-CG 4.19Å; D90-Q184 PolarHBondContact O-N 3.48Å
185Q94.8Very high95.1Very high108 Ų10843.8 Ų43.851%0.50522%0.219SC..EExtended strand (participates in β ladder)trans-140.5156.1-173.8-58.2-172.310.100113.3L88 L89L88-Q185 WeakPolarHBondContact CA-O 3.2Å; L89-Q185 HydrophobicContact CB-CB 4.22Å; L89-Q185 PolarHBondContact N-O 3.2Å; L89-Q185 PolarHBondContact O-N 3Å
186I97.2Very high95Very high34 Ų3439.8 Ų39.817%0.17420%0.201CC..EExtended strand (participates in β ladder)trans-138130170.4-171166.6000109.5F86 Q87 L88 L174 L177 T178F86-I186 HydrophobicContact CB-CD1 3.86Å; F86-I186 HydrophobicContact CB-CG1 3.87Å; Q87-I186 WeakPolarHBondContact O-CA 3.41Å; L88-I186 HydrophobicContact CD2-CB 4.13Å; L88-I186 HydrophobicContact CD2-CD1 3.81Å; L88-I186 HydrophobicContact CD2-CG1 4.11Å; L88-I186 HydrophobicContact CG-CD1 4.44Å; L174-I186 HydrophobicContact CB-CG2 3.76Å; L174-I186 HydrophobicContact CD2-CD1 3.72Å; L174-I186 HydrophobicContact CD2-CG1 4.32Å; L174-I186 HydrophobicContact CD2-CG2 4.37Å; L174-I186 HydrophobicContact CG-CG2 4.43Å; L177-I186 HydrophobicContact CB-CD1 4.41Å; L177-I186 HydrophobicContact CD1-CD1 4.41Å; T178-I186 WeakPolarHBondContact OG1-CB 3.12Å; T178-I186 WeakPolarHBondContact OG1-CG2 3.43Å
187K95.3Very high94.8Very high93 Ų9342.9 Ų42.940%0.40422%0.22SC..EExtended strand (participates in β ladder)trans-124.1159.9177.470.4175.7171.3-147.50112.1F86 Q87 L89 A189F86-K187 CarbonylContact C-O 3.55Å; F86-K187 VanDerWaalsContact CA-O 3.25Å; F86-K187 WeakPolarHBondContact CA-O 3.35Å; Q87-K187 HydrophobicContact CB-CG 4.46Å; Q87-K187 PolarHBondContact N-O 2.79Å; Q87-K187 PolarHBondContact O-N 3.31Å; L89-K187 HydrophobicContact CD1-CB 4.48Å; L89-K187 HydrophobicContact CD1-CD 3.7Å; L89-K187 HydrophobicContact CD1-CG 3.89Å; L89-K187 HydrophobicContact CG-CG 4.45Å; K187-A189 PolarHBondContact O-N 2.86Å
188A94.3Very high94.6Very high45 Ų4543.1 Ų43.137%0.37222%0.222SC..EExtended strand (participates in β ladder)trans-63.6129.716800000109.3F86 N190F86-A188 HydrophobicContact CE1-CB 4.47Å; A188-N190 PolarHBondContact O-N 3.38Å
189A92.8Very high94.5Very high4 Ų442.5 Ų42.53%0.03322%0.218CC..EExtended strand (participates in β ladder)trans-81.81173.800000112.2T85 Q87 K187 L191 L203 R324T85-A189 PolarHBondContact O-N 2.99Å; T85-A189 WeakPolarHBondContact OG1-CB 3.44Å; Q87-A189 HydrophobicContact CB-CB 4.29Å; K187-A189 PolarHBondContact O-N 2.86Å; A189-L191 PolarHBondContact O-N 2.9Å; A189-L203 HydrophobicContact CB-CD2 4.31Å; A189-R324 WeakPolarHBondContact O-CG 3.42Å
190N92.7Very high94.4Very high66 Ų6641 Ų4135%0.35321%0.207SC..EExtended strand (participates in β ladder)trans54.733.6179.3-63.1-17.9000113.6A188 R324 N325 Y326A188-N190 PolarHBondContact O-N 3.38Å; N190-R324 HydrophobicContact CB-CB 4.46Å; N190-R324 HydrophobicContact CB-CG 4.33Å; N190-R324 WeakPolarHBondContact O-CA 2.95Å; N190-N325 PolarHBondContact O-N 3.15Å; N190-N325 PolarHBondContact O-OD1 2.89Å; N190-Y326 PolarHBondContact O-N 3.3Å; N190-Y326 VanDerWaalsContact O-N 3.15Å
191L94.1Very high94.2Very high4 Ų442.5 Ų42.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-124.1133.2171.5-177.269.3000109.6T85 A189 L199 L202 L203 L258 G323 N325T85-L191 HydrophobicContact CG2-CB 4.32Å; T85-L191 HydrophobicContact CG2-CD2 4.4Å; T85-L191 HydrophobicContact CG2-CG 4.43Å; T85-L191 PolarHBondContact N-O 2.9Å; T85-L191 WeakPolarHBondContact OG1-CB 3.41Å; T85-L191 PolarHBondContact OG1-O 3.31Å; A189-L191 PolarHBondContact O-N 2.9Å; L191-L199 HydrophobicContact CD1-CD2 4.06Å; L191-L199 HydrophobicContact CD2-CB 4.12Å; L191-L199 HydrophobicContact CD2-CD2 4.05Å; L191-L199 HydrophobicContact CG-CD2 3.77Å; L191-L202 HydrophobicContact CD1-CD1 4.22Å; L191-L202 HydrophobicContact CD2-CB 4.02Å; L191-L202 HydrophobicContact CD2-CD1 4.38Å; L191-L203 HydrophobicContact CD2-CD1 4.1Å; L191-L203 HydrophobicContact CD2-CD2 4Å; L191-L203 HydrophobicContact CD2-CG 3.64Å; L191-L258 HydrophobicContact CD1-CD1 4.14Å; L191-G323 WeakPolarHBondContact CB-O 3.37Å; L191-N325 VanDerWaalsContact CA-OD1 3.29Å; L191-N325 WeakPolarHBondContact CA-OD1 3.48Å; L191-N325 HydrophobicContact CD1-CB 4.03Å
192S94.6Very high94.1Very high25 Ų2542.4 Ų42.418%0.17521%0.214CC..EExtended strand (participates in β ladder)trans-150.415217759.70000111.6W83 N325W83-S192 CarbonylContact O-C 3.6Å; W83-S192 WeakPolarHBondContact O-CA 3.48Å; W83-S192 WeakPolarHBondContact O-CB 2.8Å; S192-N325 PolarHBondContact N-OD1 2.93Å; S192-N325 PolarHBondContact O-ND2 3Å
193G94.1Very high93.9Very high1 Ų142 Ų421%0.0121%0.213CC..EExtended strand (participates in β ladder)trans175.8173.9-179.600000111.8M82 W83M82-G193 VanDerWaalsContact SD-C 3.56Å; M82-G193 VanDerWaalsContact SD-CA 3.5Å; M82-G193 PolarHBondContact SD-N 3.11Å; W83-G193 WeakPolarHBondContact CB-O 3.14Å; W83-G193 PolarHBondContact N-O 2.87Å; W83-G193 PolarHBondContact O-N 3.27Å
194Q94.3Very high93.6Very high97 Ų9743.4 Ų43.445%0.45322%0.22SC..SBendtrans-86.4-28.9-179.4-55.6177.422.500112.1N79 G81 L196N79-Q194 VanDerWaalsContact CA-O 3.27Å; N79-Q194 WeakPolarHBondContact CA-O 3.27Å; G81-Q194 VanDerWaalsContact O-CA 3.31Å; G81-Q194 WeakPolarHBondContact O-CA 3.36Å; Q194-L196 PolarHBondContact O-N 3.46Å
195K94.6Very high93.2Very high72 Ų7244.1 Ų44.131%0.31322%0.217SC..  trans-89.397.5-175.9-77.8175.8-179.7-179.40110.9N79 T197 A198 L199 A257N79-K195 WeakPolarHBondContact OD1-CA 3.45Å; K195-T197 VanDerWaalsContact C-N 3.29Å; K195-T197 PolarHBondContact O-N 3.32Å; K195-A198 HydrophobicContact CB-CB 3.83Å; K195-A198 WeakPolarHBondContact O-CB 3.4Å; K195-A198 PolarHBondContact O-N 2.77Å; K195-A198 VanDerWaalsContact O-N 3.11Å; K195-L199 WeakPolarHBondContact O-CG 3.43Å; K195-L199 PolarHBondContact O-N 3.5Å; K195-L199 VanDerWaalsContact O-N 3.16Å; K195-A257 HydrophobicContact CD-CB 3.49Å; K195-A257 VanDerWaalsContact CD-CB 3.49Å; K195-A257 WeakPolarHBondContact CD-O 3.32Å
196L94.8Very high92.4Very high12 Ų1243.7 Ų43.76%0.06322%0.215CC..Hα-helixtrans-53.5-44.8-177.7176.862000112.5P78 N79 W83 W131 V152 F161 Q194 A198 L199 R200P78-L196 HydrophobicContact CB-CB 4.07Å; P78-L196 HydrophobicContact CB-CD2 3.91Å; N79-L196 PolarHBondContact OD1-N 3.07Å; W83-L196 HydrophobicContact CD2-CB 4.44Å; W83-L196 HydrophobicContact CD2-CD1 3.88Å; W83-L196 HydrophobicContact CE3-CD1 4.02Å; W83-L196 HydrophobicContact CG-CB 4.44Å; W83-L196 HydrophobicContact CG-CD1 4.21Å; W83-L196 HydrophobicContact CH2-CD2 4.37Å; W83-L196 HydrophobicContact CZ2-CD2 4.11Å; W83-L196 HydrophobicContact CZ3-CD1 4.49Å; W131-L196 HydrophobicContact CH2-CD2 3.82Å; W131-L196 HydrophobicContact CZ2-CD2 3.91Å; V152-L196 HydrophobicContact CB-CD2 4.39Å; V152-L196 HydrophobicContact CG1-CD2 4.4Å; V152-L196 HydrophobicContact CG2-CD2 3.92Å; F161-L196 HydrophobicContact CB-CD1 3.53Å; F161-L196 HydrophobicContact CD1-CD1 3.64Å; F161-L196 HydrophobicContact CD2-CD1 4.25Å; F161-L196 HydrophobicContact CE1-CD1 4.49Å; F161-L196 HydrophobicContact CG-CD1 3.54Å; Q194-L196 PolarHBondContact O-N 3.46Å; L196-A198 PolarHBondContact O-N 2.89Å; L196-L199 PolarHBondContact O-N 3.34Å; L196-R200 PolarHBondContact O-N 2.72Å
197T92.9Very high91.3Very high66 Ų6643.9 Ų43.941%0.40521%0.214SC..Hα-helixtrans-61.7-43.6179.151.40000111.8K195 L199 R200 D201K195-T197 VanDerWaalsContact C-N 3.29Å; K195-T197 PolarHBondContact O-N 3.32Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 2.76Å; T197-R200 WeakPolarHBondContact O-CB 3.36Å; T197-R200 PolarHBondContact O-N 2.89Å; T197-D201 WeakPolarHBondContact O-CB 2.84Å; T197-D201 PolarHBondContact O-N 3.45Å
198A93.3Very high89.7Confident4 Ų447.6 Ų47.63%0.03323%0.233CC..Hα-helixtrans-61.7-39.6177.200000112.3K195 L196 L202 P256 A257K195-A198 HydrophobicContact CB-CB 3.83Å; K195-A198 WeakPolarHBondContact O-CB 3.4Å; K195-A198 PolarHBondContact O-N 2.77Å; K195-A198 VanDerWaalsContact O-N 3.11Å; L196-A198 PolarHBondContact O-N 2.89Å; A198-L202 WeakPolarHBondContact O-CB 3.37Å; A198-L202 WeakPolarHBondContact O-CD1 3.45Å; A198-L202 VanDerWaalsContact O-CG 3.23Å; A198-L202 WeakPolarHBondContact O-CG 3.38Å; A198-L202 PolarHBondContact O-N 3.39Å; A198-P256 HydrophobicContact CB-CB 4.06Å; A198-A257 WeakPolarHBondContact CB-O 3.43Å
199L94.9Very high88.4Confident1 Ų146.3 Ų46.31%0.00522%0.219CC..Hα-helixtrans-67.1-41.4176.4-54.4177.1000111.7W83 T85 F161 L191 K195 L196 T197 L202 L203 L258W83-L199 HydrophobicContact CB-CD1 3.53Å; W83-L199 HydrophobicContact CG-CD1 4.49Å; T85-L199 HydrophobicContact CG2-CB 4.15Å; T85-L199 HydrophobicContact CG2-CD1 4.14Å; F161-L199 HydrophobicContact CD1-CB 4.27Å; F161-L199 HydrophobicContact CE1-CB 4.03Å; L191-L199 HydrophobicContact CD1-CD2 4.06Å; L191-L199 HydrophobicContact CD2-CB 4.12Å; L191-L199 HydrophobicContact CD2-CD2 4.05Å; L191-L199 HydrophobicContact CG-CD2 3.77Å; K195-L199 WeakPolarHBondContact O-CG 3.43Å; K195-L199 PolarHBondContact O-N 3.5Å; K195-L199 VanDerWaalsContact O-N 3.16Å; L196-L199 PolarHBondContact O-N 3.34Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 2.76Å; L199-L202 PolarHBondContact O-N 3.34Å; L199-L203 PolarHBondContact O-N 3.24Å; L199-L258 HydrophobicContact CD2-CD1 4.01Å
200R93.6Very high86.9Confident49 Ų4952.6 Ų52.619%0.18526%0.257CS..Hα-helixtrans-59.3-51.4174.5178.9-160.866.1-170.6-0110.5Y154 F161 L196 T197 L202 L203 M204Y154-R200 HydrophobicContact CE2-CG 4.24Å; Y154-R200 VanDerWaalsContact OH-CD 3.24Å; Y154-R200 WeakPolarHBondContact OH-CD 3.34Å; Y154-R200 PolarHBondContact OH-NH1 2.82Å; F161-R200 HydrophobicContact CE1-CB 4.2Å; F161-R200 HydrophobicContact CZ-CB 3.87Å; F161-R200 HydrophobicContact CZ-CG 4.27Å; L196-R200 PolarHBondContact O-N 2.72Å; T197-R200 WeakPolarHBondContact O-CB 3.36Å; T197-R200 PolarHBondContact O-N 2.89Å; R200-L202 VanDerWaalsContact C-N 3.26Å; R200-L202 PolarHBondContact O-N 2.63Å; R200-L203 PolarHBondContact O-N 2.9Å; R200-M204 HydrophobicContact CG-CG 4.27Å; R200-M204 HydrophobicContact CG-SD 3.43Å; R200-M204 WeakPolarHBondContact CG-SD 3.23Å; R200-M204 VanDerWaalsContact O-CB 3.3Å; R200-M204 WeakPolarHBondContact O-CB 3.2Å; R200-M204 WeakPolarHBondContact O-CG 3.48Å; R200-M204 PolarHBondContact O-N 2.96Å
201D91.3Very high85.6Confident33 Ų3349.9 Ų49.918%0.17624%0.242CC..Hα-helixtrans-62.1-37.8-177-59.7-13.1000110.6T197 R205 Q206 Y207 P256T197-D201 WeakPolarHBondContact O-CB 2.84Å; T197-D201 PolarHBondContact O-N 3.45Å; D201-R205 CarbonylContact O-C 3.55Å; D201-R205 VanDerWaalsContact O-CA 3.23Å; D201-R205 WeakPolarHBondContact O-CA 3.23Å; D201-R205 PolarHBondContact O-N 3.2Å; D201-Q206 WeakPolarHBondContact CB-O 3.43Å; D201-Q206 PolarHBondContact O-N 3.21Å; D201-Y207 VanDerWaalsContact O-CD1 3.23Å; D201-Y207 WeakPolarHBondContact O-CD1 3.45Å; D201-Y207 WeakPolarHBondContact O-CE1 3.3Å; D201-P256 HydrophobicContact CB-CG 4.48Å
202L91.5Very high84Confident2 Ų252.3 Ų52.31%0.0126%0.258CS..Hα-helixtrans-63.6-48174.1-76.2167.4000113.2L191 A198 L199 R200 P256 L258 L296 P320L191-L202 HydrophobicContact CD1-CD1 4.22Å; L191-L202 HydrophobicContact CD2-CB 4.02Å; L191-L202 HydrophobicContact CD2-CD1 4.38Å; A198-L202 WeakPolarHBondContact O-CB 3.37Å; A198-L202 WeakPolarHBondContact O-CD1 3.45Å; A198-L202 VanDerWaalsContact O-CG 3.23Å; A198-L202 WeakPolarHBondContact O-CG 3.38Å; A198-L202 PolarHBondContact O-N 3.39Å; L199-L202 PolarHBondContact O-N 3.34Å; R200-L202 VanDerWaalsContact C-N 3.26Å; R200-L202 PolarHBondContact O-N 2.63Å; L202-P256 HydrophobicContact CD1-CB 4.17Å; L202-P256 HydrophobicContact CD2-CB 4.07Å; L202-P256 HydrophobicContact CD2-CG 3.93Å; L202-P256 HydrophobicContact CG-CB 3.74Å; L202-P256 HydrophobicContact CG-CG 3.98Å; L202-L258 HydrophobicContact CD1-CD1 4.38Å; L202-L296 HydrophobicContact CD2-CD1 4.31Å; L202-P320 HydrophobicContact CD2-CB 4.16Å
203L91.4Very high82.1Confident14 Ų1457.1 Ų57.17%0.07329%0.286CS..Hα-helixtrans-74-38.6-177.4-73.1175000113.1T85 Y159 F161 A189 L191 L199 R200 R205T85-L203 HydrophobicContact CG2-CD1 3.72Å; Y159-L203 HydrophobicContact CD1-CB 4.2Å; Y159-L203 HydrophobicContact CD1-CD1 3.93Å; Y159-L203 HydrophobicContact CD1-CD2 4.4Å; Y159-L203 HydrophobicContact CD1-CG 4.41Å; Y159-L203 HydrophobicContact CD2-CB 4.09Å; Y159-L203 HydrophobicContact CE1-CB 4.16Å; Y159-L203 HydrophobicContact CE1-CD1 4.42Å; Y159-L203 HydrophobicContact CE1-CD2 4.08Å; Y159-L203 HydrophobicContact CE1-CG 4.45Å; Y159-L203 HydrophobicContact CE2-CB 4.03Å; Y159-L203 WeakPolarHBondContact CE2-O 3.14Å; Y159-L203 HydrophobicContact CG-CB 4.16Å; Y159-L203 HydrophobicContact CG-CD1 4.21Å; Y159-L203 PolarHBondContact OH-O 3.26Å; F161-L203 HydrophobicContact CE1-CD1 3.99Å; F161-L203 HydrophobicContact CZ-CD1 4.25Å; A189-L203 HydrophobicContact CB-CD2 4.31Å; L191-L203 HydrophobicContact CD2-CD1 4.1Å; L191-L203 HydrophobicContact CD2-CD2 4Å; L191-L203 HydrophobicContact CD2-CG 3.64Å; L199-L203 PolarHBondContact O-N 3.24Å; R200-L203 PolarHBondContact O-N 2.9Å; L203-R205 VanDerWaalsContact C-N 3.29Å
204M89.4Confident80.3Confident48 Ų4865.4 Ų65.424%0.23632%0.322CS..Hα-helixtrans-88.6-0.5-178.5-60.8-179.162.500112.4T157 Y159 R200 Q206T157-M204 HydrophobicContact CG2-CE 3.56Å; T157-M204 HydrophobicContact CG2-SD 4.29Å; Y159-M204 HydrophobicContact CD2-CG 3.93Å; Y159-M204 HydrophobicContact CE2-CG 4.28Å; R200-M204 HydrophobicContact CG-CG 4.27Å; R200-M204 HydrophobicContact CG-SD 3.43Å; R200-M204 WeakPolarHBondContact CG-SD 3.23Å; R200-M204 VanDerWaalsContact O-CB 3.3Å; R200-M204 WeakPolarHBondContact O-CB 3.2Å; R200-M204 WeakPolarHBondContact O-CG 3.48Å; R200-M204 PolarHBondContact O-N 2.96Å; M204-Q206 HydrophobicContact CB-CG 3.86Å; M204-Q206 PolarHBondContact O-N 3.45Å
205R85.7Confident78.5Confident148 Ų14865.3 Ų65.356%0.55832%0.318SS*.THydrogen-bonded Turntrans54.335.4-176.1-55.2178.1-178.6-87.9-6.2112.8D201 L203 Y207 L321D201-R205 CarbonylContact O-C 3.55Å; D201-R205 VanDerWaalsContact O-CA 3.23Å; D201-R205 WeakPolarHBondContact O-CA 3.23Å; D201-R205 PolarHBondContact O-N 3.2Å; L203-R205 VanDerWaalsContact C-N 3.29Å; R205-Y207 VanDerWaalsContact C-N 3.28Å; R205-Y207 HydrophobicContact CB-CE1 4.34Å; R205-Y207 PolarHBondContact O-N 3.33Å; R205-L321 PolarHBondContact NH1-O 3.06Å; R205-L321 PolarHBondContact NH2-O 3.35Å
206Q78.8Confident76.5Confident100 Ų10063.7 Ų63.747%0.46732%0.315SS..  trans-92.556.3179.6-66.3-177.7-22.100110.9D201 M204D201-Q206 WeakPolarHBondContact CB-O 3.43Å; D201-Q206 PolarHBondContact O-N 3.21Å; M204-Q206 HydrophobicContact CB-CG 3.86Å; M204-Q206 PolarHBondContact O-N 3.45Å
207Y73.3Confident74.3Confident37 Ų3767.7 Ų67.715%0.14534%0.344CS..SBendtrans-127.7151.2173.144.3-103.7000108.7D201 R205 Q209 F211 P256 P320D201-Y207 VanDerWaalsContact O-CD1 3.23Å; D201-Y207 WeakPolarHBondContact O-CD1 3.45Å; D201-Y207 WeakPolarHBondContact O-CE1 3.3Å; R205-Y207 VanDerWaalsContact C-N 3.28Å; R205-Y207 HydrophobicContact CB-CE1 4.34Å; R205-Y207 PolarHBondContact O-N 3.33Å; Y207-Q209 HydrophobicContact CD2-CB 4.31Å; Y207-Q209 WeakPolarHBondContact CD2-O 3.09Å; Y207-Q209 WeakPolarHBondContact CE2-O 3.12Å; Y207-Q209 PolarHBondContact O-N 2.9Å; Y207-F211 HydrophobicContact CD2-CD2 4.32Å; Y207-F211 AromaticContact CD2-CE2 3.69Å; Y207-F211 HydrophobicContact CD2-CE2 3.69Å; Y207-F211 HydrophobicContact CE1-CE2 4.17Å; Y207-F211 AromaticContact CE2-CD2 3.43Å; Y207-F211 HydrophobicContact CE2-CD2 3.43Å; Y207-F211 VanDerWaalsContact CE2-CD2 3.43Å; Y207-F211 AromaticContact CE2-CE2 3.14Å; Y207-F211 HydrophobicContact CE2-CE2 3.14Å; Y207-F211 HydrophobicContact CE2-CZ 4.33Å; Y207-F211 HydrophobicContact CG-CE2 4.44Å; Y207-F211 AromaticContact CZ-CD2 3.7Å; Y207-F211 AromaticContact CZ-CE2 3.39Å; Y207-F211 WeakPolarHBondContact OH-CD2 3.38Å; Y207-P256 HydrophobicContact CD1-CG 4.01Å; Y207-P256 HydrophobicContact CG-CG 4.35Å; Y207-P320 PolarHBondContact OH-O 2.84Å
208Q61.8Low72.1Confident171 Ų17169.6 Ų69.680%0.79936%0.357SS*.SBendtrans-65.4-6.3-171-71.1178.9-28.900114.5
209Q67.2Low70Confident19 Ų1974.7 Ų74.79%0.08938%0.384CS..  trans-115136.4-159-157-168.7-79.400113Y207 F250 G251Y207-Q209 HydrophobicContact CD2-CB 4.31Å; Y207-Q209 WeakPolarHBondContact CD2-O 3.09Å; Y207-Q209 WeakPolarHBondContact CE2-O 3.12Å; Y207-Q209 PolarHBondContact O-N 2.9Å; Q209-F250 PolarHBondContact NE2-O 2.91Å; Q209-F250 PolarHBondContact OE1-O 3.46Å; Q209-G251 VanDerWaalsContact NE2-N 3.11Å
210V61.3Low67.5Low135 Ų13580.3 Ų80.382%0.81842%0.42SS*.  trans-91.7114.7172.7-1760000108.4
211F65.3Low65Low10 Ų1087.1 Ų87.14%0.04445%0.454CS..  trans-80.7131171.1-65.6-76.3000109.1Y207 T213 L255 P320 L321Y207-F211 HydrophobicContact CD2-CD2 4.32Å; Y207-F211 AromaticContact CD2-CE2 3.69Å; Y207-F211 HydrophobicContact CD2-CE2 3.69Å; Y207-F211 HydrophobicContact CE1-CE2 4.17Å; Y207-F211 AromaticContact CE2-CD2 3.43Å; Y207-F211 HydrophobicContact CE2-CD2 3.43Å; Y207-F211 VanDerWaalsContact CE2-CD2 3.43Å; Y207-F211 AromaticContact CE2-CE2 3.14Å; Y207-F211 HydrophobicContact CE2-CE2 3.14Å; Y207-F211 HydrophobicContact CE2-CZ 4.33Å; Y207-F211 HydrophobicContact CG-CE2 4.44Å; Y207-F211 AromaticContact CZ-CD2 3.7Å; Y207-F211 AromaticContact CZ-CE2 3.39Å; Y207-F211 WeakPolarHBondContact OH-CD2 3.38Å; F211-T213 PolarHBondContact O-N 2.87Å; F211-L255 HydrophobicContact CE1-CD2 3.93Å; F211-L255 HydrophobicContact CZ-CD2 3.66Å; F211-P320 HydrophobicContact CD1-CB 4.16Å; F211-P320 HydrophobicContact CD1-CG 4.37Å; F211-P320 HydrophobicContact CD2-CB 3.76Å; F211-P320 HydrophobicContact CE1-CB 3.66Å; F211-P320 HydrophobicContact CE1-CG 3.71Å; F211-P320 HydrophobicContact CE2-CB 3.2Å; F211-P320 HydrophobicContact CE2-CG 4.17Å; F211-P320 HydrophobicContact CG-CB 4.22Å; F211-P320 HydrophobicContact CZ-CB 3.16Å; F211-P320 HydrophobicContact CZ-CG 3.63Å; F211-L321 HydrophobicContact CB-CD1 4.25Å; F211-L321 HydrophobicContact CB-CD2 3.49Å; F211-L321 VanDerWaalsContact CB-CD2 3.49Å; F211-L321 HydrophobicContact CB-CG 3.72Å; F211-L321 HydrophobicContact CG-CD2 4.36Å; F211-L321 HydrophobicContact CG-CG 4.34Å
212P60.1Low62.5Low55 Ų5590.2 Ų90.236%0.35748%0.478SS..  trans-58.7135.8174-24.736000110.8K214 E248P212-K214 PolarHBondContact O-N 3.15Å; P212-E248 WeakPolarHBondContact CD-O 3.28Å; P212-E248 WeakPolarHBondContact CG-O 3.45Å
213T54.8Low60.1Low125 Ų12597.9 Ų97.977%0.76752%0.519SS*.SBendtrans-77.3-9.3175.6490000112.7F211F211-T213 PolarHBondContact O-N 2.87Å
214K56.8Low58Low175 Ų175103 Ų10376%0.76154%0.543SS*.SBendtrans-117.7124.8179-63.2-175.9-179.1-178.70109.6P212P212-K214 PolarHBondContact O-N 3.15Å
215Y54.8Low56.3Low96 Ų96106.1 Ų106.138%0.37657%0.569SS.*PPolyproline II helixtrans-73.2135.6174-60.5-81.1000109.5S217 P314 S317 S318Y215-S217 PolarHBondContact O-N 3.35Å; Y215-P314 HydrophobicContact CD1-CB 4.43Å; Y215-P314 HydrophobicContact CD1-CG 4.46Å; Y215-P314 HydrophobicContact CE1-CB 4.24Å; Y215-P314 HydrophobicContact CE2-CB 4.35Å; Y215-P314 HydrophobicContact CG-CG 4.4Å; Y215-S317 VanDerWaalsContact CE1-OG 3.22Å; Y215-S317 WeakPolarHBondContact CE1-OG 3.43Å; Y215-S318 WeakPolarHBondContact OH-CA 3.27Å; Y215-S318 WeakPolarHBondContact OH-CB 3.42Å
216P53.5Low54.8Low38 Ų38102.3 Ų102.325%0.24756%0.559CS.*PPolyproline II helixtrans-59.2137173.6-18.829.5000110.3P311P216-P311 HydrophobicContact CB-CB 4.4Å; P216-P311 WeakPolarHBondContact O-CG 3.33Å
217S47.8Very low53.6Low96 Ų96101.5 Ų101.567%0.67157%0.565SS**PPolyproline II helixtrans-72.1142.8169.838.60000110.3Y215 L219Y215-S217 PolarHBondContact O-N 3.35Å; S217-L219 PolarHBondContact O-N 3.04Å
218P48.4Very low52.8Low105 Ų105108.6 Ų108.668%0.68260%0.597SS**PPolyproline II helixtrans-57.5131.8173.9-1829.3000110.2
219L49.3Very low52.5Low112 Ų112107.8 Ų107.859%0.58660%0.597SS**PPolyproline II helixtrans-77140172.3-72.8165.2000109.4S217S217-L219 PolarHBondContact O-N 3.04Å
220P40.7Very low52.2Low119 Ų119112.6 Ų112.677%0.77361%0.614SS**PPolyproline II helixtrans-68.2135.3177.225.3-30.2000111.3S222P220-S222 PolarHBondContact O-N 3.17Å
221E42.6Very low52.2Low191 Ų191110 Ų11089%0.89360%0.595SS**PPolyproline II helixtrans-64.3127.6174.6-68.9-178.4157.500110
222S37.5Very low52.2Low99 Ų99116.6 Ų116.669%0.69263%0.626SS**  trans-112.9108.6174.4-1790000109.1P220 Q224P220-S222 PolarHBondContact O-N 3.17Å; S222-Q224 PolarHBondContact O-N 2.91Å
223D41.1Very low52.7Low163 Ų163120.5 Ų120.587%0.87264%0.637SS**  trans-72.1112.7171.6-78.8-33.7000110.3
224Q47.4Very low53.4Low120 Ų120117.2 Ų117.256%0.56162%0.617SS**  trans-131.6136.1163.1-72.4-169.711.900110.1S222 I226S222-Q224 PolarHBondContact O-N 2.91Å; Q224-I226 WeakPolarHBondContact O-CG1 3.39Å
225S55.1Low54.2Low114 Ų114114.7 Ų114.780%0.79761%0.608SS**  trans-70135175.956.20000111.3
226I53Low55.2Low68 Ų68113 Ų11335%0.34961%0.614SS.*  trans-130.1131.6-166.1-44.7-171.1000112.8Q224 R230 I231 V234Q224-I226 WeakPolarHBondContact O-CG1 3.39Å; I226-R230 HydrophobicContact CG2-CB 3.44Å; I226-R230 VanDerWaalsContact CG2-CB 3.44Å; I226-R230 HydrophobicContact CG2-CG 3.67Å; I226-I231 HydrophobicContact CB-CG1 3.89Å; I226-I231 HydrophobicContact CG2-CB 4.27Å; I226-I231 HydrophobicContact CG2-CG1 3.46Å; I226-I231 VanDerWaalsContact CG2-CG1 3.46Å; I226-I231 VanDerWaalsContact CG2-N 3.32Å; I226-V234 HydrophobicContact CD1-CB 4.05Å; I226-V234 HydrophobicContact CD1-CG1 3.9Å; I226-V234 HydrophobicContact CD1-CG2 3.93Å
227S54.5Low56.4Low84 Ų84116.4 Ų116.459%0.58763%0.626SS**  trans-85.3152.7167600000112.2L229 R230 I231S227-L229 PolarHBondContact O-N 3.3Å; S227-R230 WeakPolarHBondContact O-CA 3.44Å; S227-R230 WeakPolarHBondContact O-CB 3.5Å; S227-R230 PolarHBondContact O-N 3.09Å; S227-I231 PolarHBondContact O-N 3.45Å
228K55.5Low58Low186 Ų186114 Ų11481%0.80961%0.612SS**Hα-helixtrans-48.8-39.4-167.1-71.3-177.6177.3-179.40117R230 I231K228-R230 VanDerWaalsContact C-N 3.34Å; K228-R230 PolarHBondContact O-N 2.95Å; K228-I231 PolarHBondContact O-N 3.24Å
229L56.1Low59.6Low154 Ų154110.7 Ų110.781%0.80659%0.592SS**Hα-helixtrans-70-26.8176.8-94.6142.5000113.8S227S227-L229 PolarHBondContact O-N 3.3Å
230R60.2Low61.3Low119 Ų119108.2 Ų108.245%0.44959%0.587SS.*Hα-helixtrans-85.3-21.8177.4-169.7-179.1-174.5-166.9-2.2111.2I226 S227 K228 K233 V234I226-R230 HydrophobicContact CG2-CB 3.44Å; I226-R230 VanDerWaalsContact CG2-CB 3.44Å; I226-R230 HydrophobicContact CG2-CG 3.67Å; S227-R230 WeakPolarHBondContact O-CA 3.44Å; S227-R230 WeakPolarHBondContact O-CB 3.5Å; S227-R230 PolarHBondContact O-N 3.09Å; K228-R230 VanDerWaalsContact C-N 3.34Å; K228-R230 PolarHBondContact O-N 2.95Å; R230-K233 PolarHBondContact O-N 2.9Å; R230-V234 HydrophobicContact CG-CG2 4.34Å; R230-V234 WeakPolarHBondContact O-CB 3.45Å; R230-V234 VanDerWaalsContact O-CG2 3.27Å; R230-V234 WeakPolarHBondContact O-CG2 3.36Å; R230-V234 PolarHBondContact O-N 3.37Å
231I61.1Low63.5Low82 Ų82104.9 Ų104.942%0.42156%0.563SS.*Hα-helixtrans-65.3-45.4175.9-60.3177.4000110.6I226 S227 K228 K233 V234 Q235I226-I231 HydrophobicContact CB-CG1 3.89Å; I226-I231 HydrophobicContact CG2-CB 4.27Å; I226-I231 HydrophobicContact CG2-CG1 3.46Å; I226-I231 VanDerWaalsContact CG2-CG1 3.46Å; I226-I231 VanDerWaalsContact CG2-N 3.32Å; S227-I231 PolarHBondContact O-N 3.45Å; K228-I231 PolarHBondContact O-N 3.24Å; I231-K233 VanDerWaalsContact C-N 3.34Å; I231-K233 PolarHBondContact O-N 2.84Å; I231-V234 PolarHBondContact O-N 3.4Å; I231-Q235 WeakPolarHBondContact O-CB 3.44Å; I231-Q235 PolarHBondContact O-N 3.45Å
232E66.7Low65.6Low148 Ų14898.5 Ų98.569%0.69253%0.531SS*.Hα-helixtrans-62.9-41179.3-69.1178.6178.300112A236E232-A236 VanDerWaalsContact O-CB 3.28Å; E232-A236 WeakPolarHBondContact O-CB 3.34Å; E232-A236 PolarHBondContact O-N 2.96Å
233K70.5Confident67.9Low136 Ų13698.3 Ų98.359%0.59152%0.519SS*.Hα-helixtrans-66.9-44.7176.8-171.1176.2176.7-178.60112.1R230 I231 A236 E237R230-K233 PolarHBondContact O-N 2.9Å; I231-K233 VanDerWaalsContact C-N 3.34Å; I231-K233 PolarHBondContact O-N 2.84Å; K233-A236 PolarHBondContact O-N 2.87Å; K233-E237 WeakPolarHBondContact CE-OE1 3.43Å; K233-E237 WeakPolarHBondContact O-CB 3.21Å; K233-E237 WeakPolarHBondContact O-CG 3.34Å; K233-E237 PolarHBondContact O-N 3.49Å
234V70Confident70.1Confident57 Ų5796.3 Ų96.335%0.34550%0.499SS..Hα-helixtrans-66.5-38.3177.6169.30000111.4I226 R230 I231 E237 A238I226-V234 HydrophobicContact CD1-CB 4.05Å; I226-V234 HydrophobicContact CD1-CG1 3.9Å; I226-V234 HydrophobicContact CD1-CG2 3.93Å; R230-V234 HydrophobicContact CG-CG2 4.34Å; R230-V234 WeakPolarHBondContact O-CB 3.45Å; R230-V234 VanDerWaalsContact O-CG2 3.27Å; R230-V234 WeakPolarHBondContact O-CG2 3.36Å; R230-V234 PolarHBondContact O-N 3.37Å; I231-V234 PolarHBondContact O-N 3.4Å; V234-E237 PolarHBondContact O-N 3.31Å; V234-A238 VanDerWaalsContact O-CB 3.26Å; V234-A238 WeakPolarHBondContact O-CB 3.4Å; V234-A238 PolarHBondContact O-N 2.81Å
235Q72.3Confident71.9Confident121 Ų12191.2 Ų91.257%0.56548%0.475SS*.Hα-helixtrans-66.3-40.2174.9-169.672.9-8.300111.6I231 S239I231-Q235 WeakPolarHBondContact O-CB 3.44Å; I231-Q235 PolarHBondContact O-N 3.45Å; Q235-S239 WeakPolarHBondContact O-CB 3.38Å; Q235-S239 PolarHBondContact O-N 3.15Å
236A75.2Confident73.3Confident60 Ų6085.9 Ų85.950%0.49644%0.438SS..Hα-helixtrans-64.8-43.5175.200000111.8E232 K233 S239 A240E232-A236 VanDerWaalsContact O-CB 3.28Å; E232-A236 WeakPolarHBondContact O-CB 3.34Å; E232-A236 PolarHBondContact O-N 2.96Å; K233-A236 PolarHBondContact O-N 2.87Å; A236-S239 PolarHBondContact O-N 2.78Å; A236-A240 WeakPolarHBondContact O-CB 3.24Å; A236-A240 PolarHBondContact O-N 3.2Å
237E80.6Confident74.8Confident111 Ų11183.1 Ų83.152%0.51943%0.427SS..Hα-helixtrans-64.9-44.8175.9-75172.9-171.100111.9K233 V234 S239 A240 N241K233-E237 WeakPolarHBondContact CE-OE1 3.43Å; K233-E237 WeakPolarHBondContact O-CB 3.21Å; K233-E237 WeakPolarHBondContact O-CG 3.34Å; K233-E237 PolarHBondContact O-N 3.49Å; V234-E237 PolarHBondContact O-N 3.31Å; E237-S239 VanDerWaalsContact C-N 3.33Å; E237-S239 PolarHBondContact O-N 2.92Å; E237-A240 PolarHBondContact O-N 3.07Å; E237-N241 VanDerWaalsContact O-CB 3.32Å; E237-N241 WeakPolarHBondContact O-CB 3.12Å; E237-N241 PolarHBondContact O-N 3.41Å
238A80.6Confident76.1Confident44 Ų4482.2 Ų82.236%0.36441%0.413SS..Hα-helixtrans-63.5-39.3175.500000111.8V234 N241 R242V234-A238 VanDerWaalsContact O-CB 3.26Å; V234-A238 WeakPolarHBondContact O-CB 3.4Å; V234-A238 PolarHBondContact O-N 2.81Å; A238-N241 PolarHBondContact O-N 2.91Å; A238-R242 WeakPolarHBondContact O-CG 3.43Å; A238-R242 PolarHBondContact O-N 3.28Å
239S82.2Confident77.4Confident37 Ų3774 Ų7426%0.25938%0.378SS..Hα-helixtrans-63.5-48.6174.1-168.10000111.8Q235 A236 E237 N241 R242 H243Q235-S239 WeakPolarHBondContact O-CB 3.38Å; Q235-S239 PolarHBondContact O-N 3.15Å; A236-S239 PolarHBondContact O-N 2.78Å; E237-S239 VanDerWaalsContact C-N 3.33Å; E237-S239 PolarHBondContact O-N 2.92Å; S239-N241 VanDerWaalsContact C-N 3.3Å; S239-N241 PolarHBondContact O-N 2.94Å; S239-R242 PolarHBondContact O-N 3.42Å; S239-H243 PolarHBondContact O-N 2.98Å; S239-H243 PolarHBondContact O-ND1 3.15Å
240A85.1Confident78.6Confident60 Ų6066.6 Ų66.650%0.49634%0.34SS..Hα-helixtrans-61.1-40.2177.600000111.5A236 E237 H243 R244A236-A240 WeakPolarHBondContact O-CB 3.24Å; A236-A240 PolarHBondContact O-N 3.2Å; E237-A240 PolarHBondContact O-N 3.07Å; A240-H243 PolarHBondContact O-N 3.36Å; A240-R244 WeakPolarHBondContact O-CB 3.49Å; A240-R244 PolarHBondContact O-N 3.32Å
241N86.4Confident79.7Confident48 Ų4861.3 Ų61.326%0.25732%0.322SS..Hα-helixtrans-65.5-41.4177.1-166.941.3000112.2E237 A238 S239 R244 M245E237-N241 VanDerWaalsContact O-CB 3.32Å; E237-N241 WeakPolarHBondContact O-CB 3.12Å; E237-N241 PolarHBondContact O-N 3.41Å; A238-N241 PolarHBondContact O-N 2.91Å; S239-N241 VanDerWaalsContact C-N 3.3Å; S239-N241 PolarHBondContact O-N 2.94Å; N241-R244 PolarHBondContact O-N 3.17Å; N241-R244 PolarHBondContact OD1-NE 2.97Å; N241-R244 PolarHBondContact OD1-NH2 3.01Å; N241-M245 HydrophobicContact CB-CE 4.49Å; N241-M245 WeakPolarHBondContact ND2-CE 3.29Å; N241-M245 WeakPolarHBondContact O-CE 3.46Å; N241-M245 WeakPolarHBondContact O-CG 3.43Å; N241-M245 PolarHBondContact O-N 2.96Å
242R87Confident80.6Confident57 Ų5764.2 Ų64.222%0.21534%0.338CS..Hα-helixtrans-60.8-46.1173.5-76.3-178.7-62.7165.716.8112.1A238 S239 M245 A246 S305 T310A238-R242 WeakPolarHBondContact O-CG 3.43Å; A238-R242 PolarHBondContact O-N 3.28Å; S239-R242 PolarHBondContact O-N 3.42Å; R242-M245 PolarHBondContact O-N 3.21Å; R242-A246 WeakPolarHBondContact O-CB 3.32Å; R242-A246 PolarHBondContact O-N 3.39Å; R242-S305 VanDerWaalsContact NH1-C 3.29Å; R242-S305 PolarHBondContact NH1-O 2.6Å; R242-T310 HydrophobicContact CB-CG2 4.46Å; R242-T310 HydrophobicContact CG-CG2 4.33Å
243H85.5Confident81.3Confident96 Ų9658.3 Ų58.344%0.44432%0.317SS..Hα-helixtrans-60.5-46176.6-76.475.5000111.3S239 A240 M245 A246 G247 S304S239-H243 PolarHBondContact O-N 2.98Å; S239-H243 PolarHBondContact O-ND1 3.15Å; A240-H243 PolarHBondContact O-N 3.36Å; H243-M245 PolarHBondContact O-N 2.99Å; H243-A246 PolarHBondContact O-N 3.31Å; H243-G247 PolarHBondContact O-N 3.02Å; H243-S304 PolarHBondContact CE1-O 2.93Å; H243-S304 PolarHBondContact ND1-O 3.23Å
244R86.9Confident82Confident121 Ų12159 Ų5946%0.45732%0.324SS..Hα-helixtrans-59.2-47.8175.9-176.3-174.664.694.6-0.3111.7A240 N241 A246 G247 E248A240-R244 WeakPolarHBondContact O-CB 3.49Å; A240-R244 PolarHBondContact O-N 3.32Å; N241-R244 PolarHBondContact O-N 3.17Å; N241-R244 PolarHBondContact OD1-NE 2.97Å; N241-R244 PolarHBondContact OD1-NH2 3.01Å; R244-A246 VanDerWaalsContact C-N 3.34Å; R244-A246 PolarHBondContact O-N 3.34Å; R244-G247 CarbonylContact O-C 3.53Å; R244-G247 PolarHBondContact O-N 3.33Å; R244-E248 IonicContact CZ-OE1 3.17Å; R244-E248 IonicContact NE-OE1 3.85Å; R244-E248 IonicContact NH1-OE1 3.62Å; R244-E248 PolarHBondContact NH1-OE1 2.74Å; R244-E248 IonicContact NH1-OE2 2.95Å; R244-E248 WeakPolarHBondContact O-CG 3.45Å; R244-E248 PolarHBondContact O-N 3.17Å
245M84.6Confident82.9Confident13 Ų1356.9 Ų56.96%0.06431%0.311CS..Hα-helixtrans-66.3-35.2179.5-73.9-175-72.700112.8N241 R242 H243 E248 T249 T310N241-M245 HydrophobicContact CB-CE 4.49Å; N241-M245 WeakPolarHBondContact ND2-CE 3.29Å; N241-M245 WeakPolarHBondContact O-CE 3.46Å; N241-M245 WeakPolarHBondContact O-CG 3.43Å; N241-M245 PolarHBondContact O-N 2.96Å; R242-M245 PolarHBondContact O-N 3.21Å; H243-M245 PolarHBondContact O-N 2.99Å; M245-E248 PolarHBondContact O-N 2.87Å; M245-T249 WeakPolarHBondContact O-CB 3.29Å; M245-T249 PolarHBondContact O-N 2.9Å; M245-T249 PolarHBondContact O-OG1 3.02Å; M245-T310 WeakPolarHBondContact CE-OG1 3.42Å
246A85.5Confident83.7Confident1 Ų151.7 Ų51.71%0.00829%0.287CS..Hα-helixtrans-67.9-40.1174.500000111.4R242 H243 R244 T249 F250 R300 A303 S304R242-A246 WeakPolarHBondContact O-CB 3.32Å; R242-A246 PolarHBondContact O-N 3.39Å; H243-A246 PolarHBondContact O-N 3.31Å; R244-A246 VanDerWaalsContact C-N 3.34Å; R244-A246 PolarHBondContact O-N 3.34Å; A246-T249 PolarHBondContact O-N 3.5Å; A246-F250 PolarHBondContact O-N 3.48Å; A246-R300 HydrophobicContact CB-CG 4.37Å; A246-A303 HydrophobicContact CB-CB 3.81Å; A246-S304 WeakPolarHBondContact CB-OG 3.09Å
247G83.5Confident84.5Confident11 Ų1149.6 Ų49.611%0.11327%0.27CS..Hα-helixtrans-64.4-38.8169.700000112.2H243 R244 T249 G251 D252H243-G247 PolarHBondContact O-N 3.02Å; R244-G247 CarbonylContact O-C 3.53Å; R244-G247 PolarHBondContact O-N 3.33Å; G247-T249 PolarHBondContact O-N 3.13Å; G247-G251 WeakPolarHBondContact O-CA 3.47Å; G247-G251 PolarHBondContact O-N 3.46Å; G247-D252 WeakPolarHBondContact CA-OD1 3.45Å
248E83.4Confident85.1Confident65 Ų6544.3 Ų44.330%0.30425%0.245SC..Hα-helixtrans-64.6-43.5172.4-73.6167.6-174.800110.5P212 R244 M245P212-E248 WeakPolarHBondContact CD-O 3.28Å; P212-E248 WeakPolarHBondContact CG-O 3.45Å; R244-E248 IonicContact CZ-OE1 3.17Å; R244-E248 IonicContact NE-OE1 3.85Å; R244-E248 IonicContact NH1-OE1 3.62Å; R244-E248 PolarHBondContact NH1-OE1 2.74Å; R244-E248 IonicContact NH1-OE2 2.95Å; R244-E248 WeakPolarHBondContact O-CG 3.45Å; R244-E248 PolarHBondContact O-N 3.17Å; M245-E248 PolarHBondContact O-N 2.87Å
249T81.6Confident85.7Confident12 Ų1243.6 Ų43.67%0.07423%0.234CC..Hα-helixtrans-71.9-45.5-175.6-55.70000113.1M245 A246 G247 V312M245-T249 WeakPolarHBondContact O-CB 3.29Å; M245-T249 PolarHBondContact O-N 2.9Å; M245-T249 PolarHBondContact O-OG1 3.02Å; A246-T249 PolarHBondContact O-N 3.5Å; G247-T249 PolarHBondContact O-N 3.13Å; T249-V312 HydrophobicContact CG2-CB 4.44Å
250F82.8Confident86.3Confident0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-1196.4-171.2-63.6-78.3000113.3Q209 A246 L255 L299 R300 V312Q209-F250 PolarHBondContact NE2-O 2.91Å; Q209-F250 PolarHBondContact OE1-O 3.46Å; A246-F250 PolarHBondContact O-N 3.48Å; F250-L255 HydrophobicContact CB-CD1 4.01Å; F250-L255 WeakPolarHBondContact O-CD2 3.43Å; F250-L299 HydrophobicContact CE1-CB 4.22Å; F250-L299 HydrophobicContact CE1-CD1 4.49Å; F250-L299 HydrophobicContact CE2-CB 4.18Å; F250-L299 HydrophobicContact CZ-CB 3.71Å; F250-L299 HydrophobicContact CZ-CD1 4.35Å; F250-R300 HydrophobicContact CB-CB 4.01Å; F250-R300 HydrophobicContact CB-CG 4.07Å; F250-R300 HydrophobicContact CD2-CB 3.99Å; F250-R300 HydrophobicContact CD2-CG 4.43Å; F250-R300 HydrophobicContact CG-CB 4.11Å; F250-V312 HydrophobicContact CE2-CB 4.05Å; F250-V312 HydrophobicContact CE2-CG1 4.29Å; F250-V312 HydrophobicContact CE2-CG2 3.83Å; F250-V312 HydrophobicContact CZ-CB 4.26Å; F250-V312 HydrophobicContact CZ-CG1 4.04Å; F250-V312 HydrophobicContact CZ-CG2 4.41Å
251G81.5Confident86.7Confident7 Ų739.8 Ų39.87%0.07220%0.204CC..  trans53.9178.9-17400000115.7Q209 G247 R300Q209-G251 VanDerWaalsContact NE2-N 3.11Å; G247-G251 WeakPolarHBondContact O-CA 3.47Å; G247-G251 PolarHBondContact O-N 3.46Å; G251-R300 WeakPolarHBondContact O-CD 3.45Å; G251-R300 PolarHBondContact O-NH1 2.83Å
252D79.9Confident86.9Confident144 Ų14439.8 Ų39.877%0.7720%0.202SC*.SBendtrans-102.7-2.9-172.8-57.1-43.3000112.5G247G247-D252 WeakPolarHBondContact CA-OD1 3.45Å
253G82.1Confident87.1Confident23 Ų2337.8 Ų37.824%0.23720%0.195CC..SBendtrans-80.3-177.6-179.800000113.3R300G253-R300 PolarHBondContact O-NH1 2.96Å; G253-R300 PolarHBondContact O-NH2 2.79Å
254M85.3Confident87.4Confident152 Ų15234.7 Ų34.775%0.74918%0.18SC*.PPolyproline II helixtrans-73.6128.1168.6-65.4-162.2-47.300110.4
255L88.1Confident87.6Confident12 Ų1232.2 Ų32.26%0.06318%0.176CC..PPolyproline II helixtrans-89.8142.7178.3-69.9163.8000112.6F211 F250 A257 N294 L296 E297 R300F211-L255 HydrophobicContact CE1-CD2 3.93Å; F211-L255 HydrophobicContact CZ-CD2 3.66Å; F250-L255 HydrophobicContact CB-CD1 4.01Å; F250-L255 WeakPolarHBondContact O-CD2 3.43Å; L255-A257 PolarHBondContact O-N 2.81Å; L255-N294 PolarHBondContact O-ND2 2.95Å; L255-L296 HydrophobicContact CB-CB 3.95Å; L255-L296 HydrophobicContact CB-CD1 4.47Å; L255-L296 HydrophobicContact CD1-CB 3.96Å; L255-L296 HydrophobicContact CG-CB 4.4Å; L255-E297 HydrophobicContact CB-CG 4.18Å; L255-E297 WeakPolarHBondContact CB-OE1 3.48Å; L255-E297 HydrophobicContact CD1-CG 4.46Å; L255-E297 PolarHBondContact N-OE1 3.42Å; L255-E297 VanDerWaalsContact N-OE1 3.15Å; L255-R300 HydrophobicContact CD1-CB 4.38Å
256P90.1Very high87.8Confident11 Ų1134.2 Ų34.27%0.07119%0.185CC..PPolyproline II helixtrans-54.3127.8172.7-2634.7000111.5A198 D201 L202 Y207 L258A198-P256 HydrophobicContact CB-CB 4.06Å; D201-P256 HydrophobicContact CB-CG 4.48Å; L202-P256 HydrophobicContact CD1-CB 4.17Å; L202-P256 HydrophobicContact CD2-CB 4.07Å; L202-P256 HydrophobicContact CD2-CG 3.93Å; L202-P256 HydrophobicContact CG-CB 3.74Å; L202-P256 HydrophobicContact CG-CG 3.98Å; Y207-P256 HydrophobicContact CD1-CG 4.01Å; Y207-P256 HydrophobicContact CG-CG 4.35Å; P256-L258 PolarHBondContact O-N 3.4Å
257A91.9Very high87.9Confident16 Ų1635.6 Ų35.613%0.13219%0.193CC..  trans-77.389.7-173.500000112.5K195 A198 L255 N294K195-A257 HydrophobicContact CD-CB 3.49Å; K195-A257 VanDerWaalsContact CD-CB 3.49Å; K195-A257 WeakPolarHBondContact CD-O 3.32Å; A198-A257 WeakPolarHBondContact CB-O 3.43Å; L255-A257 PolarHBondContact O-N 2.81Å; A257-N294 HydrophobicContact CB-CB 4.38Å
258L93.3Very high88Confident1 Ų139.8 Ų39.81%0.00521%0.209CC..  trans-93.1132.5175.5-173.368.5000110.6L191 L199 L202 P256 L295 L296 I319 N325L191-L258 HydrophobicContact CD1-CD1 4.14Å; L199-L258 HydrophobicContact CD2-CD1 4.01Å; L202-L258 HydrophobicContact CD1-CD1 4.38Å; P256-L258 PolarHBondContact O-N 3.4Å; L258-L295 VanDerWaalsContact O-CB 3.26Å; L258-L295 WeakPolarHBondContact O-CB 3.26Å; L258-L295 PolarHBondContact O-N 2.84Å; L258-L296 HydrophobicContact CB-CG 4.42Å; L258-I319 HydrophobicContact CD2-CG2 3.71Å; L258-N325 HydrophobicContact CD1-CB 4.43Å; L258-N325 HydrophobicContact CD2-CB 3.78Å
259Q93.4Very high87.9Confident28 Ų2840.3 Ų40.313%0.13121%0.21CC..  trans-84.3-29.8-176-63.982.2600114.3S291 S292Q259-S291 CarbonylContact O-C 3.59Å; Q259-S291 VanDerWaalsContact O-CA 3.27Å; Q259-S291 WeakPolarHBondContact O-CA 3.39Å; Q259-S292 CarbonylContact C-O 3.56Å; Q259-S292 VanDerWaalsContact CA-O 3.27Å; Q259-S292 WeakPolarHBondContact CA-O 3.42Å; Q259-S292 PolarHBondContact O-N 2.85Å
260S93.3Very high87.8Confident17 Ų1746.6 Ų46.612%0.11924%0.236CC..EExtended strand (participates in β ladder)trans-153.9158.4-172.558.50000113F290 N325S260-F290 WeakPolarHBondContact CA-O 3.48Å; S260-F290 WeakPolarHBondContact CB-O 3.38Å; S260-N325 PolarHBondContact O-ND2 2.67Å
261A93.4Very high87.7Confident0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans-136.7143.816600000109.3F263 K289 F290 L295 I319 N325A261-F263 HydrophobicContact CB-CE2 3.77Å; A261-F263 HydrophobicContact CB-CZ 4.36Å; A261-K289 WeakPolarHBondContact O-CA 3.12Å; A261-F290 PolarHBondContact N-O 2.91Å; A261-F290 VanDerWaalsContact N-O 3.09Å; A261-F290 PolarHBondContact O-N 2.77Å; A261-L295 HydrophobicContact CB-CD2 3.47Å; A261-L295 VanDerWaalsContact CB-CD2 3.47Å; A261-I319 HydrophobicContact CB-CD1 3.74Å; A261-N325 CarbonylContact C-O 3.53Å; A261-N325 VanDerWaalsContact CA-O 3.3Å; A261-N325 WeakPolarHBondContact CA-O 3.48Å; A261-N325 HydrophobicContact CB-CB 4.25Å
262F92.6Very high87.5Confident49 Ų4954.2 Ų54.222%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-123.5130.3-176.4-173.7-95.1000109.9Q264 V288 K289 N325 Y326 F327F262-Q264 HydrophobicContact CD1-CB 4.45Å; F262-Q264 HydrophobicContact CE1-CB 3.77Å; F262-Q264 HydrophobicContact CZ-CB 4.46Å; F262-V288 WeakPolarHBondContact CA-O 2.98Å; F262-K289 HydrophobicContact CD2-CB 4.11Å; F262-K289 HydrophobicContact CD2-CG 4.47Å; F262-N325 PolarHBondContact N-O 3.17Å; F262-Y326 HydrophobicContact CB-CD2 3.9Å; F262-Y326 HydrophobicContact CB-CE2 4.39Å; F262-Y326 AromaticContact CD1-CD2 3.44Å; F262-Y326 HydrophobicContact CD1-CD2 3.44Å; F262-Y326 VanDerWaalsContact CD1-CD2 3.44Å; F262-Y326 AromaticContact CD1-CE2 3.1Å; F262-Y326 HydrophobicContact CD1-CE2 3.1Å; F262-Y326 HydrophobicContact CD1-CG 4.35Å; F262-Y326 AromaticContact CD1-CZ 3.79Å; F262-Y326 HydrophobicContact CE1-CD2 4.26Å; F262-Y326 AromaticContact CE1-CE2 3.46Å; F262-Y326 HydrophobicContact CE1-CE2 3.46Å; F262-Y326 VanDerWaalsContact CE1-CE2 3.46Å; F262-Y326 AromaticContact CE1-CZ 3.85Å; F262-Y326 AromaticContact CG-CD2 3.98Å; F262-Y326 HydrophobicContact CG-CD2 3.98Å; F262-Y326 AromaticContact CG-CE2 3.96Å; F262-Y326 HydrophobicContact CG-CE2 3.96Å; F262-Y326 WeakPolarHBondContact O-CA 3.49Å; F262-F327 PolarHBondContact O-N 2.65Å
263F90.8Very high87.7Confident14 Ų1453.4 Ų53.46%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-126.6123.3178.8-63-90.8000108.3A261 S287 V288 F290 L315 L316 I319 F327A261-F263 HydrophobicContact CB-CE2 3.77Å; A261-F263 HydrophobicContact CB-CZ 4.36Å; F263-S287 CarbonylContact O-C 3.53Å; F263-S287 WeakPolarHBondContact O-CA 3.25Å; F263-V288 PolarHBondContact N-O 3.48Å; F263-V288 PolarHBondContact O-N 2.97Å; F263-F290 AromaticContact CD2-CD2 3.94Å; F263-F290 HydrophobicContact CD2-CD2 3.94Å; F263-F290 AromaticContact CD2-CE2 3.87Å; F263-F290 HydrophobicContact CD2-CE2 3.87Å; F263-F290 AromaticContact CE2-CD2 3.89Å; F263-F290 HydrophobicContact CE2-CD2 3.89Å; F263-F290 HydrophobicContact CE2-CE2 4.01Å; F263-L315 HydrophobicContact CD1-CB 4.22Å; F263-L315 HydrophobicContact CD1-CD1 4.46Å; F263-L315 HydrophobicContact CD1-CD2 4.39Å; F263-L315 HydrophobicContact CE1-CB 3.65Å; F263-L315 HydrophobicContact CE1-CD2 4.28Å; F263-L315 HydrophobicContact CE1-CG 4.42Å; F263-L315 WeakPolarHBondContact CE1-O 3.37Å; F263-L315 HydrophobicContact CZ-CB 4.29Å; F263-L315 WeakPolarHBondContact CZ-O 3.37Å; F263-L316 HydrophobicContact CE2-CD2 3.49Å; F263-L316 VanDerWaalsContact CE2-CD2 3.49Å; F263-L316 HydrophobicContact CZ-CD2 3.66Å; F263-L316 HydrophobicContact CZ-CG 4.38Å; F263-I319 HydrophobicContact CZ-CD1 4.39Å; F263-F327 CarbonylContact C-O 3.54Å; F263-F327 WeakPolarHBondContact CA-O 3.26Å; F263-F327 HydrophobicContact CD1-CB 3.64Å; F263-F327 AromaticContact CD1-CD2 3.64Å; F263-F327 HydrophobicContact CD1-CD2 3.64Å; F263-F327 AromaticContact CD1-CG 3.86Å; F263-F327 HydrophobicContact CD1-CG 3.86Å; F263-F327 HydrophobicContact CE1-CB 3.94Å; F263-F327 HydrophobicContact CE1-CD1 4.45Å; F263-F327 AromaticContact CE1-CD2 3.12Å; F263-F327 HydrophobicContact CE1-CD2 3.12Å; F263-F327 AromaticContact CE1-CE2 3.63Å; F263-F327 HydrophobicContact CE1-CE2 3.63Å; F263-F327 AromaticContact CE1-CG 3.6Å; F263-F327 HydrophobicContact CE1-CG 3.6Å; F263-F327 HydrophobicContact CE1-CZ 4.47Å; F263-F327 HydrophobicContact CE2-CD2 4.37Å; F263-F327 HydrophobicContact CG-CB 4.5Å; F263-F327 HydrophobicContact CG-CD2 4.42Å; F263-F327 AromaticContact CZ-CD2 3.56Å; F263-F327 HydrophobicContact CZ-CD2 3.56Å; F263-F327 AromaticContact CZ-CE2 3.71Å; F263-F327 HydrophobicContact CZ-CE2 3.71Å; F263-F327 HydrophobicContact CZ-CG 4.45Å
264Q91.6Very high87.6Confident31 Ų3154.9 Ų54.915%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-118.1118.2175.9-174.3164.9-55.600108.4F262 E266 I285 C286 F327 V328 I329F262-Q264 HydrophobicContact CD1-CB 4.45Å; F262-Q264 HydrophobicContact CE1-CB 3.77Å; F262-Q264 HydrophobicContact CZ-CB 4.46Å; Q264-E266 HydrophobicContact CG-CG 4.17Å; Q264-E266 PolarHBondContact NE2-OE1 3.41Å; Q264-I285 HydrophobicContact CG-CG2 3.63Å; Q264-C286 CarbonylContact C-O 3.49Å; Q264-C286 WeakPolarHBondContact CA-O 3.37Å; Q264-F327 PolarHBondContact N-O 3.09Å; Q264-V328 CarbonylContact O-C 3.52Å; Q264-V328 WeakPolarHBondContact O-CA 3.36Å; Q264-I329 PolarHBondContact O-N 3.14Å
265L89.8Confident87.3Confident69 Ų6954.2 Ų54.236%0.36128%0.28SS..EExtended strand (participates in β ladder)trans-95.1124.4171.3176.268000108.2T267 I285 C286 I329L265-T267 HydrophobicContact CD2-CG2 4.15Å; L265-T267 HydrophobicContact CG-CG2 4.13Å; L265-I285 CarbonylContact O-C 3.58Å; L265-I285 VanDerWaalsContact O-CA 3.27Å; L265-I285 WeakPolarHBondContact O-CA 3.4Å; L265-C286 HydrophobicContact CB-CB 4.3Å; L265-C286 PolarHBondContact N-O 3.48Å; L265-C286 PolarHBondContact O-N 3.5Å; L265-I329 CarbonylContact C-O 3.57Å; L265-I329 WeakPolarHBondContact CA-O 3.41Å; L265-I329 HydrophobicContact CD1-CB 4Å; L265-I329 HydrophobicContact CD1-CG2 3.78Å
266E90.5Very high86.9Confident56 Ų5657.1 Ų57.126%0.26231%0.306SS..EExtended strand (participates in β ladder)trans-119.1104.4173.8-61.8-178.3-171.400108.2Q264 P283 F284 I285 V328 I329 T330 D331Q264-E266 HydrophobicContact CG-CG 4.17Å; Q264-E266 PolarHBondContact NE2-OE1 3.41Å; E266-P283 HydrophobicContact CB-CB 4.39Å; E266-F284 WeakPolarHBondContact CA-O 3.45Å; E266-I285 HydrophobicContact CG-CG1 4.25Å; E266-I285 HydrophobicContact CG-CG2 4.44Å; E266-V328 HydrophobicContact CG-CG1 4.25Å; E266-I329 PolarHBondContact N-O 3.11Å; E266-T330 HydrophobicContact CB-CG2 4.26Å; E266-T330 WeakPolarHBondContact O-CA 3.29Å; E266-D331 PolarHBondContact O-N 2.81Å
267T87.3Confident86.2Confident29 Ų2960.6 Ų60.618%0.17832%0.322CS..EExtended strand (participates in β ladder)trans-134149.9-175.9179.90000109.8L265 F284 D331L265-T267 HydrophobicContact CD2-CG2 4.15Å; L265-T267 HydrophobicContact CG-CG2 4.13Å; T267-F284 HydrophobicContact CG2-CD1 4.23Å; T267-F284 PolarHBondContact N-O 2.77Å; T267-F284 WeakPolarHBondContact O-CA 2.84Å; T267-F284 WeakPolarHBondContact O-CB 2.96Å; T267-F284 PolarHBondContact O-N 3.18Å; T267-D331 PolarHBondContact OG1-OD1 3.09Å; T267-D331 PolarHBondContact OG1-OD2 3.42Å; T267-D331 VanDerWaalsContact OG1-OD2 3.1Å
268K85.6Confident85.6Confident99 Ų9962.6 Ų62.643%0.4333%0.333SS..  trans-71.1147167.1-69-165.7173.1-163.20109.8K270 D281 D331K268-K270 PolarHBondContact O-N 3.4Å; K268-D281 IonicContact NZ-OD1 2.64Å; K268-D331 PolarHBondContact N-OD2 3.28Å
269F81.7Confident84.9Confident77 Ų7769.6 Ų69.634%0.33837%0.365SS..  trans-69.4124170.4-167-101.5000108.3D271 N274 M277 T278F269-D271 HydrophobicContact CD1-CB 3.91Å; F269-D271 HydrophobicContact CE1-CB 3.28Å; F269-D271 HydrophobicContact CZ-CB 3.88Å; F269-N274 HydrophobicContact CE1-CB 4.1Å; F269-M277 HydrophobicContact CB-CB 4.3Å; F269-M277 HydrophobicContact CD1-CB 3.33Å; F269-M277 HydrophobicContact CD1-CG 4.4Å; F269-M277 HydrophobicContact CD1-SD 4.4Å; F269-M277 HydrophobicContact CE1-CB 3.76Å; F269-M277 HydrophobicContact CE1-SD 4.27Å; F269-M277 HydrophobicContact CG-CB 3.96Å; F269-M277 HydrophobicContact CZ-SD 4.42Å; F269-T278 WeakPolarHBondContact O-CA 3.44Å
270K78.7Confident84.3Confident143 Ų14375.2 Ų75.262%0.62239%0.386SS*.  trans-12385-176.6-68.7171.5-174.5160.10108.2K268 D331K268-K270 PolarHBondContact O-N 3.4Å; K270-D331 IonicContact NZ-OD1 3.89Å; K270-D331 PolarHBondContact NZ-OD1 2.9Å; K270-D331 IonicContact NZ-OD2 3.42Å; K270-D331 PolarHBondContact NZ-OD2 2.86Å
271D80.8Confident83.6Confident44 Ų4481 Ų8124%0.23542%0.415CS..  trans-130.1112.6174.6-176.6-8.2000109.1F269 T273 N274 T278F269-D271 HydrophobicContact CD1-CB 3.91Å; F269-D271 HydrophobicContact CE1-CB 3.28Å; F269-D271 HydrophobicContact CZ-CB 3.88Å; D271-T273 VanDerWaalsContact CG-OG1 3.28Å; D271-T273 PolarHBondContact O-N 3.28Å; D271-T273 VanDerWaalsContact O-N 3.11Å; D271-T273 WeakPolarHBondContact OD1-CB 3.22Å; D271-T273 PolarHBondContact OD1-N 3.25Å; D271-T273 PolarHBondContact OD1-OG1 3.48Å; D271-T273 PolarHBondContact OD2-OG1 3.01Å; D271-N274 HydrophobicContact CB-CB 4.12Å; D271-N274 PolarHBondContact O-N 3Å; D271-N274 VanDerWaalsContact O-N 3.14Å; D271-T278 PolarHBondContact N-OG1 2.92Å; D271-T278 PolarHBondContact O-OG1 3.13Å
272P76.5Confident83.1Confident124 Ų12488 Ų8881%0.80545%0.448SS*.THydrogen-bonded Turntrans-64.3-14.1-179.726.7-33.2000113.1
273T83.9Confident82.6Confident126 Ų12688.6 Ų88.677%0.77346%0.457SS*.THydrogen-bonded Turntrans-94.7-9.7178.367.20000113.8D271D271-T273 VanDerWaalsContact CG-OG1 3.28Å; D271-T273 PolarHBondContact O-N 3.28Å; D271-T273 VanDerWaalsContact O-N 3.11Å; D271-T273 WeakPolarHBondContact OD1-CB 3.22Å; D271-T273 PolarHBondContact OD1-N 3.25Å; D271-T273 PolarHBondContact OD1-OG1 3.48Å; D271-T273 PolarHBondContact OD2-OG1 3.01Å
274N81.1Confident82.4Confident55 Ų5593.6 Ų93.629%0.29448%0.479SS..  trans-127.573.8-175.9-169.2-18.7000110.7F269 D271 A276 M277 T278F269-N274 HydrophobicContact CE1-CB 4.1Å; D271-N274 HydrophobicContact CB-CB 4.12Å; D271-N274 PolarHBondContact O-N 3Å; D271-N274 VanDerWaalsContact O-N 3.14Å; N274-A276 PolarHBondContact O-N 3.37Å; N274-M277 PolarHBondContact O-N 2.83Å; N274-M277 PolarHBondContact OD1-N 2.82Å; N274-T278 PolarHBondContact O-N 3.48Å; N274-T278 VanDerWaalsContact O-N 3.09Å; N274-T278 PolarHBondContact O-OG1 2.99Å; N274-T278 VanDerWaalsContact O-OG1 3.09Å
275E78.4Confident82.3Confident137 Ų13796.3 Ų96.364%0.6449%0.493SS*.Hα-helixtrans-57.2-35.1-179.4-66.1-173.2171.500112.6M277 T278 Q279E275-M277 VanDerWaalsContact C-N 3.32Å; E275-M277 PolarHBondContact O-N 3.15Å; E275-T278 PolarHBondContact O-N 3.18Å; E275-Q279 WeakPolarHBondContact O-CB 3.5Å; E275-Q279 VanDerWaalsContact O-CG 3.29Å; E275-Q279 WeakPolarHBondContact O-CG 3.38Å; E275-Q279 PolarHBondContact O-N 2.91Å
276A80.1Confident82.3Confident73 Ų7395.5 Ų95.560%0.60349%0.493SS*.Hα-helixtrans-64.3-32.7-178.300000113.4N274N274-A276 PolarHBondContact O-N 3.37Å
277M76.3Confident82.3Confident85 Ų8595.9 Ų95.942%0.41950%0.502SS..Hα-helixtrans-87.6-33.2173.7-71.8-154.1168.500112.5F269 N274 E275 Q279 R280F269-M277 HydrophobicContact CB-CB 4.3Å; F269-M277 HydrophobicContact CD1-CB 3.33Å; F269-M277 HydrophobicContact CD1-CG 4.4Å; F269-M277 HydrophobicContact CD1-SD 4.4Å; F269-M277 HydrophobicContact CE1-CB 3.76Å; F269-M277 HydrophobicContact CE1-SD 4.27Å; F269-M277 HydrophobicContact CG-CB 3.96Å; F269-M277 HydrophobicContact CZ-SD 4.42Å; N274-M277 PolarHBondContact O-N 2.83Å; N274-M277 PolarHBondContact OD1-N 2.82Å; E275-M277 VanDerWaalsContact C-N 3.32Å; E275-M277 PolarHBondContact O-N 3.15Å; M277-Q279 VanDerWaalsContact C-N 3.33Å; M277-Q279 PolarHBondContact O-N 3.48Å; M277-R280 PolarHBondContact O-N 3.27Å
278T79Confident82.5Confident58 Ų5897.7 Ų97.736%0.35651%0.512SS..Hα-helixtrans-69.4-29.5179.1-59.20000112.8F269 D271 N274 E275 R280F269-T278 WeakPolarHBondContact O-CA 3.44Å; D271-T278 PolarHBondContact N-OG1 2.92Å; D271-T278 PolarHBondContact O-OG1 3.13Å; N274-T278 PolarHBondContact O-N 3.48Å; N274-T278 VanDerWaalsContact O-N 3.09Å; N274-T278 PolarHBondContact O-OG1 2.99Å; N274-T278 VanDerWaalsContact O-OG1 3.09Å; E275-T278 PolarHBondContact O-N 3.18Å; T278-R280 VanDerWaalsContact C-N 3.33Å
279Q79.1Confident82.9Confident147 Ų14799.5 Ų99.569%0.68752%0.52SS*.THydrogen-bonded Turntrans-81.2-5.8176-70.5-179.716.300114.2E275 M277 D281E275-Q279 WeakPolarHBondContact O-CB 3.5Å; E275-Q279 VanDerWaalsContact O-CG 3.29Å; E275-Q279 WeakPolarHBondContact O-CG 3.38Å; E275-Q279 PolarHBondContact O-N 2.91Å; M277-Q279 VanDerWaalsContact C-N 3.33Å; M277-Q279 PolarHBondContact O-N 3.48Å; Q279-D281 PolarHBondContact O-N 2.99Å
280R80.8Confident83.5Confident147 Ų14799.5 Ų99.556%0.55552%0.52SS*.  trans-71.7133.1176.4-69.9-173.7180-166.7-1.6110.4M277 T278 E282M277-R280 PolarHBondContact O-N 3.27Å; T278-R280 VanDerWaalsContact C-N 3.33Å; R280-E282 VanDerWaalsContact C-N 3.31Å
281D77.9Confident84.2Confident137 Ų13796.5 Ų96.573%0.73352%0.517SS*.SBendtrans-73.9-25.6174.5-75.3-38.1000112.8K268 Q279K268-D281 IonicContact NZ-OD1 2.64Å; Q279-D281 PolarHBondContact O-N 2.99Å
282E82.3Confident84.8Confident149 Ų14996 Ų9670%0.69652%0.517SS*.SBendtrans-69.8127.9180-65.8172.7172.100111.3R280R280-E282 VanDerWaalsContact C-N 3.31Å
283P83.5Confident85.4Confident61 Ų6194.8 Ų94.840%0.39651%0.511SS..PPolyproline II helixtrans-71.2146177.229.5-33.7000111.1E266E266-P283 HydrophobicContact CB-CB 4.39Å
284F85.6Confident85.9Confident119 Ų11990 Ų9052%0.52248%0.481SS..EExtended strand (participates in β ladder)trans-72.8126.2163.2176.3-98.2000109.4E266 T267 C286E266-F284 WeakPolarHBondContact CA-O 3.45Å; T267-F284 HydrophobicContact CG2-CD1 4.23Å; T267-F284 PolarHBondContact N-O 2.77Å; T267-F284 WeakPolarHBondContact O-CA 2.84Å; T267-F284 WeakPolarHBondContact O-CB 2.96Å; T267-F284 PolarHBondContact O-N 3.18Å; F284-C286 HydrophobicContact CE1-CB 3.85Å; F284-C286 HydrophobicContact CZ-CB 4.48Å
285I88.7Confident86.5Confident88 Ų8887.7 Ų87.745%0.45147%0.469SS..EExtended strand (participates in β ladder)trans-110.9117.2-177.6-51.1-177.4000109.7Q264 L265 E266Q264-I285 HydrophobicContact CG-CG2 3.63Å; L265-I285 CarbonylContact O-C 3.58Å; L265-I285 VanDerWaalsContact O-CA 3.27Å; L265-I285 WeakPolarHBondContact O-CA 3.4Å; E266-I285 HydrophobicContact CG-CG1 4.25Å; E266-I285 HydrophobicContact CG-CG2 4.44Å
286C90.1Very high87.1Confident52 Ų5281.1 Ų81.135%0.35144%0.438SS..EExtended strand (participates in β ladder)trans-111.8128170-179.40000109.7Q264 L265 F284Q264-C286 CarbonylContact C-O 3.49Å; Q264-C286 WeakPolarHBondContact CA-O 3.37Å; L265-C286 HydrophobicContact CB-CB 4.3Å; L265-C286 PolarHBondContact N-O 3.48Å; L265-C286 PolarHBondContact O-N 3.5Å; F284-C286 HydrophobicContact CE1-CB 3.85Å; F284-C286 HydrophobicContact CZ-CB 4.48Å
287S91.7Very high87.8Confident64 Ų6479.9 Ų79.945%0.44842%0.42SS..EExtended strand (participates in β ladder)trans-120.8127.2-178.2-65.70000111.3F263F263-S287 CarbonylContact O-C 3.53Å; F263-S287 WeakPolarHBondContact O-CA 3.25Å
288V92Very high88.6Confident66 Ų6678 Ų7840%0.442%0.415SS..EExtended strand (participates in β ladder)trans-121128.6176.9-177.40000109.3F262 F263 F290F262-V288 WeakPolarHBondContact CA-O 2.98Å; F263-V288 PolarHBondContact N-O 3.48Å; F263-V288 PolarHBondContact O-N 2.97Å; V288-F290 HydrophobicContact CG1-CD2 4.14Å; V288-F290 HydrophobicContact CG1-CE2 3.54Å; V288-F290 HydrophobicContact CG1-CZ 3.77Å
289K93.7Very high89.2Confident138 Ų13876.1 Ų76.160%0.640%0.403SS*.EExtended strand (participates in β ladder)trans-119.8117.7175.2-174.7-178.2175.5-177.20110.4A261 F262 S291A261-K289 WeakPolarHBondContact O-CA 3.12Å; F262-K289 HydrophobicContact CD2-CB 4.11Å; F262-K289 HydrophobicContact CD2-CG 4.47Å; K289-S291 WeakPolarHBondContact CE-OG 3.48Å
290F92.9Very high89.8Confident76 Ų7671.4 Ų71.433%0.33338%0.378SS..EExtended strand (participates in β ladder)trans-89.3139.9168.4-61.6-87.4000109.5S260 A261 F263 V288 L295 L316S260-F290 WeakPolarHBondContact CA-O 3.48Å; S260-F290 WeakPolarHBondContact CB-O 3.38Å; A261-F290 PolarHBondContact N-O 2.91Å; A261-F290 VanDerWaalsContact N-O 3.09Å; A261-F290 PolarHBondContact O-N 2.77Å; F263-F290 AromaticContact CD2-CD2 3.94Å; F263-F290 HydrophobicContact CD2-CD2 3.94Å; F263-F290 AromaticContact CD2-CE2 3.87Å; F263-F290 HydrophobicContact CD2-CE2 3.87Å; F263-F290 AromaticContact CE2-CD2 3.89Å; F263-F290 HydrophobicContact CE2-CD2 3.89Å; F263-F290 HydrophobicContact CE2-CE2 4.01Å; V288-F290 HydrophobicContact CG1-CD2 4.14Å; V288-F290 HydrophobicContact CG1-CE2 3.54Å; V288-F290 HydrophobicContact CG1-CZ 3.77Å; F290-L295 HydrophobicContact CB-CD1 3.67Å; F290-L295 HydrophobicContact CB-CD2 4.16Å; F290-L316 HydrophobicContact CD2-CD2 3.93Å; F290-L316 HydrophobicContact CE2-CD2 3.88Å; F290-L316 HydrophobicContact CG-CD2 4.5Å; F290-L316 HydrophobicContact CZ-CD1 4.35Å; F290-L316 HydrophobicContact CZ-CD2 4.41Å
291S93.2Very high90.3Very high80 Ų8070.1 Ų70.156%0.55938%0.378SS*.EExtended strand (participates in β ladder)trans-144.1137.3178.5-63.20000111.6Q259 K289Q259-S291 CarbonylContact O-C 3.59Å; Q259-S291 VanDerWaalsContact O-CA 3.27Å; Q259-S291 WeakPolarHBondContact O-CA 3.39Å; K289-S291 WeakPolarHBondContact CE-OG 3.48Å
292S93.6Very high91Very high33 Ų3365.3 Ų65.323%0.23136%0.356CS..  trans-158.7169.1178.1174.40000110.1Q259 N294 S298Q259-S292 CarbonylContact C-O 3.56Å; Q259-S292 VanDerWaalsContact CA-O 3.27Å; Q259-S292 WeakPolarHBondContact CA-O 3.42Å; Q259-S292 PolarHBondContact O-N 2.85Å; S292-N294 VanDerWaalsContact C-N 3.27Å; S292-N294 PolarHBondContact OG-N 2.91Å; S292-N294 PolarHBondContact OG-O 3.04Å; S292-S298 PolarHBondContact OG-OG 3.32Å
293S90.7Very high91.4Very high99 Ų9958.2 Ų58.269%0.69232%0.322SS*.SBendtrans-66.6-30.9167.458.70000112.3
294N93.1Very high91.7Very high26 Ų2656.1 Ų56.114%0.13931%0.309CS..SBendtrans-148.995.3167.9-171.7-17000109.4L255 A257 S292 L296 E297 S298L255-N294 PolarHBondContact O-ND2 2.95Å; A257-N294 HydrophobicContact CB-CB 4.38Å; S292-N294 VanDerWaalsContact C-N 3.27Å; S292-N294 PolarHBondContact OG-N 2.91Å; S292-N294 PolarHBondContact OG-O 3.04Å; N294-L296 PolarHBondContact O-N 3.34Å; N294-L296 PolarHBondContact OD1-N 3.37Å; N294-E297 HydrophobicContact CB-CB 4.03Å; N294-E297 HydrophobicContact CB-CG 4.21Å; N294-E297 VanDerWaalsContact CG-CG 3.43Å; N294-E297 WeakPolarHBondContact ND2-CG 3.37Å; N294-E297 PolarHBondContact O-N 3.5Å; N294-E297 PolarHBondContact OD1-N 3.3Å; N294-S298 PolarHBondContact O-N 3.38Å; N294-S298 PolarHBondContact O-OG 3.1Å
295L93.8Very high91.9Very high6 Ų652.6 Ų52.63%0.03130%0.299CS..Hα-helixtrans-59.4-43.2-175.617763000112.6L258 A261 F290 E297 S298 L299L258-L295 VanDerWaalsContact O-CB 3.26Å; L258-L295 WeakPolarHBondContact O-CB 3.26Å; L258-L295 PolarHBondContact O-N 2.84Å; A261-L295 HydrophobicContact CB-CD2 3.47Å; A261-L295 VanDerWaalsContact CB-CD2 3.47Å; F290-L295 HydrophobicContact CB-CD1 3.67Å; F290-L295 HydrophobicContact CB-CD2 4.16Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-E297 PolarHBondContact O-N 3.09Å; L295-S298 PolarHBondContact O-N 2.99Å; L295-L299 HydrophobicContact CD1-CD1 4.09Å; L295-L299 HydrophobicContact CD1-CG 4.05Å; L295-L299 HydrophobicContact CG-CD1 3.97Å; L295-L299 HydrophobicContact CG-CG 4.36Å; L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 VanDerWaalsContact O-CG 3.26Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.36Å
296L92.2Very high91.8Very high0 Ų050 Ų500%029%0.294CS..Hα-helixtrans-65.5-41.8-177.2-61.9-177.6000111.1L202 L255 L258 N294 L299 R300 I319 P320L202-L296 HydrophobicContact CD2-CD1 4.31Å; L255-L296 HydrophobicContact CB-CB 3.95Å; L255-L296 HydrophobicContact CB-CD1 4.47Å; L255-L296 HydrophobicContact CD1-CB 3.96Å; L255-L296 HydrophobicContact CG-CB 4.4Å; L258-L296 HydrophobicContact CB-CG 4.42Å; N294-L296 PolarHBondContact O-N 3.34Å; N294-L296 PolarHBondContact OD1-N 3.37Å; L296-L299 PolarHBondContact O-N 2.88Å; L296-R300 PolarHBondContact O-N 3.39Å; L296-I319 HydrophobicContact CD2-CB 4.21Å; L296-I319 HydrophobicContact CD2-CG2 3.92Å; L296-P320 HydrophobicContact CD1-CG 3.98Å; L296-P320 HydrophobicContact CD2-CG 4.07Å
297E92.9Very high91.7Very high47 Ų4753.7 Ų53.722%0.2231%0.309CS..Hα-helixtrans-65.2-41.8173.5-71.9-64168.500112.5L255 N294 L295 L299 R300 H301L255-E297 HydrophobicContact CB-CG 4.18Å; L255-E297 WeakPolarHBondContact CB-OE1 3.48Å; L255-E297 HydrophobicContact CD1-CG 4.46Å; L255-E297 PolarHBondContact N-OE1 3.42Å; L255-E297 VanDerWaalsContact N-OE1 3.15Å; N294-E297 HydrophobicContact CB-CB 4.03Å; N294-E297 HydrophobicContact CB-CG 4.21Å; N294-E297 VanDerWaalsContact CG-CG 3.43Å; N294-E297 WeakPolarHBondContact ND2-CG 3.37Å; N294-E297 PolarHBondContact O-N 3.5Å; N294-E297 PolarHBondContact OD1-N 3.3Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-E297 PolarHBondContact O-N 3.09Å; E297-L299 VanDerWaalsContact C-N 3.32Å; E297-L299 PolarHBondContact O-N 3.03Å; E297-R300 PolarHBondContact O-N 3.27Å; E297-R300 IonicContact OE1-CZ 3.52Å; E297-R300 IonicContact OE1-NH2 3.09Å; E297-R300 PolarHBondContact OE1-NH2 2.89Å; E297-R300 IonicContact OE2-CZ 3.2Å; E297-R300 IonicContact OE2-NE 2.73Å; E297-R300 PolarHBondContact OE2-NE 2.88Å; E297-R300 VanDerWaalsContact OE2-NE 3.13Å; E297-R300 IonicContact OE2-NH2 2.91Å; E297-R300 PolarHBondContact OE2-NH2 2.67Å; E297-H301 WeakPolarHBondContact O-CB 3.21Å; E297-H301 PolarHBondContact O-N 3.21Å
298S93.9Very high91.5Very high44 Ų4452.4 Ų52.431%0.30830%0.302SS..Hα-helixtrans-62.2-40.6176-60.70000111.9S292 N294 L295 H301 C302S292-S298 PolarHBondContact OG-OG 3.32Å; N294-S298 PolarHBondContact O-N 3.38Å; N294-S298 PolarHBondContact O-OG 3.1Å; L295-S298 PolarHBondContact O-N 2.99Å; S298-H301 PolarHBondContact O-N 3.03Å; S298-C302 WeakPolarHBondContact O-CB 3.41Å; S298-C302 PolarHBondContact O-N 2.96Å; S298-C302 PolarHBondContact O-SG 3.47Å
299L92.3Very high91Very high20 Ų2054 Ų5411%0.10532%0.317CS..Hα-helixtrans-65.7-44.2176.4-70.9171.1000111.7F250 L295 L296 E297 H301 C302 A303 L316F250-L299 HydrophobicContact CE1-CB 4.22Å; F250-L299 HydrophobicContact CE1-CD1 4.49Å; F250-L299 HydrophobicContact CE2-CB 4.18Å; F250-L299 HydrophobicContact CZ-CB 3.71Å; F250-L299 HydrophobicContact CZ-CD1 4.35Å; L295-L299 HydrophobicContact CD1-CD1 4.09Å; L295-L299 HydrophobicContact CD1-CG 4.05Å; L295-L299 HydrophobicContact CG-CD1 3.97Å; L295-L299 HydrophobicContact CG-CG 4.36Å; L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 VanDerWaalsContact O-CG 3.26Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.36Å; L296-L299 PolarHBondContact O-N 2.88Å; E297-L299 VanDerWaalsContact C-N 3.32Å; E297-L299 PolarHBondContact O-N 3.03Å; L299-H301 VanDerWaalsContact C-N 3.35Å; L299-H301 PolarHBondContact O-N 3.42Å; L299-C302 PolarHBondContact O-N 3.36Å; L299-A303 WeakPolarHBondContact O-CB 3.5Å; L299-A303 PolarHBondContact O-N 3.38Å; L299-L316 HydrophobicContact CD1-CB 4.14Å; L299-L316 HydrophobicContact CD1-CD2 4.2Å; L299-L316 HydrophobicContact CD2-CD1 3.98Å
300R90.8Very high90.3Very high47 Ų4749.1 Ų49.118%0.17730%0.298CS..Hα-helixtrans-57.8-47.8173.5-175.9172.468.9172.73111A246 F250 G251 G253 L255 L296 E297 A303 S304A246-R300 HydrophobicContact CB-CG 4.37Å; F250-R300 HydrophobicContact CB-CB 4.01Å; F250-R300 HydrophobicContact CB-CG 4.07Å; F250-R300 HydrophobicContact CD2-CB 3.99Å; F250-R300 HydrophobicContact CD2-CG 4.43Å; F250-R300 HydrophobicContact CG-CB 4.11Å; G251-R300 WeakPolarHBondContact O-CD 3.45Å; G251-R300 PolarHBondContact O-NH1 2.83Å; G253-R300 PolarHBondContact O-NH1 2.96Å; G253-R300 PolarHBondContact O-NH2 2.79Å; L255-R300 HydrophobicContact CD1-CB 4.38Å; L296-R300 PolarHBondContact O-N 3.39Å; E297-R300 PolarHBondContact O-N 3.27Å; E297-R300 IonicContact OE1-CZ 3.52Å; E297-R300 IonicContact OE1-NH2 3.09Å; E297-R300 PolarHBondContact OE1-NH2 2.89Å; E297-R300 IonicContact OE2-CZ 3.2Å; E297-R300 IonicContact OE2-NE 2.73Å; E297-R300 PolarHBondContact OE2-NE 2.88Å; E297-R300 VanDerWaalsContact OE2-NE 3.13Å; E297-R300 IonicContact OE2-NH2 2.91Å; E297-R300 PolarHBondContact OE2-NH2 2.67Å; R300-A303 WeakPolarHBondContact O-CB 3.25Å; R300-A303 PolarHBondContact O-N 3.1Å; R300-S304 PolarHBondContact O-N 3.47Å; R300-S304 PolarHBondContact O-OG 2.77Å; R300-S304 VanDerWaalsContact O-OG 3.08Å
301H92.4Very high89.5Confident120 Ų12046.9 Ų46.956%0.55629%0.291SS*.Hα-helixtrans-63.3-44.6178.3-179.5-86.5000112.6E297 S298 L299 A303 S304 S305E297-H301 WeakPolarHBondContact O-CB 3.21Å; E297-H301 PolarHBondContact O-N 3.21Å; S298-H301 PolarHBondContact O-N 3.03Å; L299-H301 VanDerWaalsContact C-N 3.35Å; L299-H301 PolarHBondContact O-N 3.42Å; H301-A303 VanDerWaalsContact C-N 3.27Å; H301-A303 PolarHBondContact O-N 2.97Å; H301-S304 PolarHBondContact O-N 3.36Å; H301-S305 WeakPolarHBondContact O-CB 3.36Å; H301-S305 PolarHBondContact O-N 3.26Å; H301-S305 PolarHBondContact O-OG 2.69Å
302C92.1Very high88.9Confident37 Ų3743.7 Ų43.725%0.2527%0.268CS..Hα-helixtrans-60.5-38.2176.6-73.60000111.9S298 L299 S305 G306 I307 A308S298-C302 WeakPolarHBondContact O-CB 3.41Å; S298-C302 PolarHBondContact O-N 2.96Å; S298-C302 PolarHBondContact O-SG 3.47Å; L299-C302 PolarHBondContact O-N 3.36Å; C302-S305 PolarHBondContact O-OG 2.88Å; C302-G306 CarbonylContact O-C 3.51Å; C302-G306 WeakPolarHBondContact O-CA 3.5Å; C302-G306 PolarHBondContact O-N 3.39Å; C302-G306 VanDerWaalsContact O-N 3.11Å; C302-I307 HydrophobicContact CB-CB 4.22Å; C302-I307 PolarHBondContact O-N 3.09Å; C302-A308 HydrophobicContact CB-CB 4.03Å; C302-A308 PolarHBondContact O-N 3.21Å
303A90.2Very high88.3Confident0 Ų045.4 Ų45.40%028%0.278CS..Hα-helixtrans-66.8-50.1174.700000111.8A246 L299 R300 H301 S305 G306 T310 V312A246-A303 HydrophobicContact CB-CB 3.81Å; L299-A303 WeakPolarHBondContact O-CB 3.5Å; L299-A303 PolarHBondContact O-N 3.38Å; R300-A303 WeakPolarHBondContact O-CB 3.25Å; R300-A303 PolarHBondContact O-N 3.1Å; H301-A303 VanDerWaalsContact C-N 3.27Å; H301-A303 PolarHBondContact O-N 2.97Å; A303-S305 PolarHBondContact O-N 2.97Å; A303-G306 PolarHBondContact O-N 3.04Å; A303-T310 HydrophobicContact CB-CG2 3.83Å; A303-V312 HydrophobicContact CB-CG2 3.66Å
304S90.3Very high87.9Confident17 Ų1744.2 Ų44.212%0.11927%0.268CS..Hα-helixtrans-63.7-38.7-179-60.70000113.4H243 A246 R300 H301 G306H243-S304 PolarHBondContact CE1-O 2.93Å; H243-S304 PolarHBondContact ND1-O 3.23Å; A246-S304 WeakPolarHBondContact CB-OG 3.09Å; R300-S304 PolarHBondContact O-N 3.47Å; R300-S304 PolarHBondContact O-OG 2.77Å; R300-S304 VanDerWaalsContact O-OG 3.08Å; H301-S304 PolarHBondContact O-N 3.36Å; S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact O-N 3.36Å
305S89.8Confident87.3Confident45 Ų4546.5 Ų46.532%0.31528%0.279SS..Hα-helixtrans-78.2-12175.557.50000113.4R242 H301 C302 A303 I307R242-S305 VanDerWaalsContact NH1-C 3.29Å; R242-S305 PolarHBondContact NH1-O 2.6Å; H301-S305 WeakPolarHBondContact O-CB 3.36Å; H301-S305 PolarHBondContact O-N 3.26Å; H301-S305 PolarHBondContact O-OG 2.69Å; C302-S305 PolarHBondContact O-OG 2.88Å; A303-S305 PolarHBondContact O-N 2.97Å; S305-I307 VanDerWaalsContact C-N 3.31Å; S305-I307 WeakPolarHBondContact OG-CD1 3.46Å; S305-I307 WeakPolarHBondContact OG-CG1 3.39Å
306G85.6Confident86.9Confident33 Ų3347 Ų4734%0.3428%0.282SS..THydrogen-bonded Turntrans56.836.3-171.900000115.3C302 A303 S304C302-G306 CarbonylContact O-C 3.51Å; C302-G306 WeakPolarHBondContact O-CA 3.5Å; C302-G306 PolarHBondContact O-N 3.39Å; C302-G306 VanDerWaalsContact O-N 3.11Å; A303-G306 PolarHBondContact O-N 3.04Å; S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact O-N 3.36Å
307I88.5Confident86.5Confident129 Ų12947.1 Ų47.166%0.66228%0.283SS*.SBendtrans-66.5-33.9157-64169.1000109.6C302 S305C302-I307 HydrophobicContact CB-CB 4.22Å; C302-I307 PolarHBondContact O-N 3.09Å; S305-I307 VanDerWaalsContact C-N 3.31Å; S305-I307 WeakPolarHBondContact OG-CD1 3.46Å; S305-I307 WeakPolarHBondContact OG-CG1 3.39Å
308A86.8Confident86.2Confident37 Ų3744.9 Ų44.931%0.30627%0.272SS..SBendtrans-111.8147173.300000110.6C302C302-A308 HydrophobicContact CB-CB 4.03Å; C302-A308 PolarHBondContact O-N 3.21Å
309S82.5Confident85.9Confident101 Ų10142.8 Ų42.871%0.70626%0.258SS*.  trans-63.9139.9172.841.10000111.2P311S309-P311 CarbonylContact O-C 3.6Å
310T78.9Confident85.6Confident34 Ų3441.9 Ų41.921%0.20925%0.253CS..SBendtrans-107.5135.217449.30000109.5R242 M245 A303R242-T310 HydrophobicContact CB-CG2 4.46Å; R242-T310 HydrophobicContact CG-CG2 4.33Å; M245-T310 WeakPolarHBondContact CE-OG1 3.42Å; A303-T310 HydrophobicContact CB-CG2 3.83Å
311P75.5Confident85.2Confident30 Ų3041.2 Ų41.220%0.19525%0.252CS..SBendcis-73.4148.92.631-36000112.9P216 S309P216-P311 HydrophobicContact CB-CB 4.4Å; P216-P311 WeakPolarHBondContact O-CG 3.33Å; S309-P311 CarbonylContact O-C 3.6Å
312V81.5Confident84.9Confident12 Ų1241.2 Ų41.27%0.07325%0.251CS..PPolyproline II helixtrans-67.2138.9176.5176.10000109.9T249 F250 A303 L316 S317T249-V312 HydrophobicContact CG2-CB 4.44Å; F250-V312 HydrophobicContact CE2-CB 4.05Å; F250-V312 HydrophobicContact CE2-CG1 4.29Å; F250-V312 HydrophobicContact CE2-CG2 3.83Å; F250-V312 HydrophobicContact CZ-CB 4.26Å; F250-V312 HydrophobicContact CZ-CG1 4.04Å; F250-V312 HydrophobicContact CZ-CG2 4.41Å; A303-V312 HydrophobicContact CB-CG2 3.66Å; V312-L316 HydrophobicContact CG1-CB 3.76Å; V312-L316 HydrophobicContact CG1-CD1 4.21Å; V312-S317 PolarHBondContact O-OG 3.27Å; V312-S317 VanDerWaalsContact O-OG 3.13Å
313T81.6Confident84.7Confident70 Ų7039.7 Ų39.743%0.42924%0.241SC..PPolyproline II helixtrans-49138.1-175.667.80000111.9L315 L316 S317T313-L315 PolarHBondContact O-N 2.77Å; T313-L316 PolarHBondContact O-N 2.8Å; T313-S317 PolarHBondContact O-N 2.75Å; T313-S317 PolarHBondContact O-OG 3.28Å
314P81.1Confident84.7Confident74 Ų7444.4 Ų44.448%0.48126%0.259SS..Hα-helixtrans-53.2-26.7178.8-29.836.1000114Y215 L316 S317 S318Y215-P314 HydrophobicContact CD1-CB 4.43Å; Y215-P314 HydrophobicContact CD1-CG 4.46Å; Y215-P314 HydrophobicContact CE1-CB 4.24Å; Y215-P314 HydrophobicContact CE2-CB 4.35Å; Y215-P314 HydrophobicContact CG-CG 4.4Å; P314-L316 VanDerWaalsContact C-N 3.34Å; P314-L316 PolarHBondContact O-N 3.4Å; P314-S317 VanDerWaalsContact CA-OG 3.25Å; P314-S317 WeakPolarHBondContact CA-OG 3.36Å; P314-S318 WeakPolarHBondContact O-CB 3.44Å; P314-S318 PolarHBondContact O-N 3.49Å; P314-S318 PolarHBondContact O-OG 3.3Å
315L81.7Confident84.7Confident73 Ų7343.8 Ų43.838%0.38225%0.254SS..Hα-helixtrans-59.3-44.4174.8-71.9177.9000112.1F263 T313 S318 I329F263-L315 HydrophobicContact CD1-CB 4.22Å; F263-L315 HydrophobicContact CD1-CD1 4.46Å; F263-L315 HydrophobicContact CD1-CD2 4.39Å; F263-L315 HydrophobicContact CE1-CB 3.65Å; F263-L315 HydrophobicContact CE1-CD2 4.28Å; F263-L315 HydrophobicContact CE1-CG 4.42Å; F263-L315 WeakPolarHBondContact CE1-O 3.37Å; F263-L315 HydrophobicContact CZ-CB 4.29Å; F263-L315 WeakPolarHBondContact CZ-O 3.37Å; T313-L315 PolarHBondContact O-N 2.77Å; L315-S318 PolarHBondContact O-OG 3.35Å; L315-I329 HydrophobicContact CD1-CD1 3.72Å; L315-I329 HydrophobicContact CD2-CD1 3.72Å; L315-I329 HydrophobicContact CD2-CG1 4.42Å; L315-I329 HydrophobicContact CG-CD1 4.4Å
316L85.2Confident84.8Confident18 Ų1845.9 Ų45.99%0.09426%0.256CS..Hα-helixtrans-87.2-41.3-178.4-67.2171.9000111.9F263 F290 L299 V312 T313 P314 S318 I319F263-L316 HydrophobicContact CE2-CD2 3.49Å; F263-L316 VanDerWaalsContact CE2-CD2 3.49Å; F263-L316 HydrophobicContact CZ-CD2 3.66Å; F263-L316 HydrophobicContact CZ-CG 4.38Å; F290-L316 HydrophobicContact CD2-CD2 3.93Å; F290-L316 HydrophobicContact CE2-CD2 3.88Å; F290-L316 HydrophobicContact CG-CD2 4.5Å; F290-L316 HydrophobicContact CZ-CD1 4.35Å; F290-L316 HydrophobicContact CZ-CD2 4.41Å; L299-L316 HydrophobicContact CD1-CB 4.14Å; L299-L316 HydrophobicContact CD1-CD2 4.2Å; L299-L316 HydrophobicContact CD2-CD1 3.98Å; V312-L316 HydrophobicContact CG1-CB 3.76Å; V312-L316 HydrophobicContact CG1-CD1 4.21Å; T313-L316 PolarHBondContact O-N 2.8Å; P314-L316 VanDerWaalsContact C-N 3.34Å; P314-L316 PolarHBondContact O-N 3.4Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 3.38Å; L316-I319 HydrophobicContact CD2-CD1 4.39Å; L316-I319 WeakPolarHBondContact O-CD1 3.03Å; L316-I319 WeakPolarHBondContact O-CG1 3.34Å; L316-I319 PolarHBondContact O-N 3.1Å
317S83.6Confident85Confident2 Ų245.3 Ų45.31%0.01424%0.244CC..Hα-helixtrans-72.3-20.2-179.649.20000113.6Y215 V312 T313 P314 I319 P320Y215-S317 VanDerWaalsContact CE1-OG 3.22Å; Y215-S317 WeakPolarHBondContact CE1-OG 3.43Å; V312-S317 PolarHBondContact O-OG 3.27Å; V312-S317 VanDerWaalsContact O-OG 3.13Å; T313-S317 PolarHBondContact O-N 2.75Å; T313-S317 PolarHBondContact O-OG 3.28Å; P314-S317 VanDerWaalsContact CA-OG 3.25Å; P314-S317 WeakPolarHBondContact CA-OG 3.36Å; S317-I319 VanDerWaalsContact C-N 3.35Å; S317-P320 WeakPolarHBondContact O-CD 3.47Å
318S85.3Confident85Confident0 Ų042.5 Ų42.50%023%0.233CC..THydrogen-bonded Turntrans-79.2-10.5175.371.20000115Y215 P314 L315 L316 L321 K322Y215-S318 WeakPolarHBondContact OH-CA 3.27Å; Y215-S318 WeakPolarHBondContact OH-CB 3.42Å; P314-S318 WeakPolarHBondContact O-CB 3.44Å; P314-S318 PolarHBondContact O-N 3.49Å; P314-S318 PolarHBondContact O-OG 3.3Å; L315-S318 PolarHBondContact O-OG 3.35Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 3.38Å; S318-L321 PolarHBondContact O-N 2.95Å; S318-L321 VanDerWaalsContact O-N 3.15Å; S318-K322 WeakPolarHBondContact O-CB 3.45Å; S318-K322 PolarHBondContact O-N 3.38Å
319I88.9Confident84.9Confident0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-51.6-50.3-176.8-69.6168.6000111.9L258 A261 F263 L296 L316 S317 L321 G323 R324 F327L258-I319 HydrophobicContact CD2-CG2 3.71Å; A261-I319 HydrophobicContact CB-CD1 3.74Å; F263-I319 HydrophobicContact CZ-CD1 4.39Å; L296-I319 HydrophobicContact CD2-CB 4.21Å; L296-I319 HydrophobicContact CD2-CG2 3.92Å; L316-I319 HydrophobicContact CD2-CD1 4.39Å; L316-I319 WeakPolarHBondContact O-CD1 3.03Å; L316-I319 WeakPolarHBondContact O-CG1 3.34Å; L316-I319 PolarHBondContact O-N 3.1Å; S317-I319 VanDerWaalsContact C-N 3.35Å; I319-L321 PolarHBondContact O-N 2.85Å; I319-G323 WeakPolarHBondContact O-CA 3.2Å; I319-G323 PolarHBondContact O-N 3.24Å; I319-R324 WeakPolarHBondContact CG2-O 3.47Å; I319-R324 PolarHBondContact O-N 3.04Å; I319-F327 HydrophobicContact CG1-CE2 3.85Å; I319-F327 HydrophobicContact CG1-CZ 3.96Å
320P85.8Confident85.1Confident0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-70.8-31.9-178.2-18.634.7000113.6L202 Y207 F211 L296 S317L202-P320 HydrophobicContact CD2-CB 4.16Å; Y207-P320 PolarHBondContact OH-O 2.84Å; F211-P320 HydrophobicContact CD1-CB 4.16Å; F211-P320 HydrophobicContact CD1-CG 4.37Å; F211-P320 HydrophobicContact CD2-CB 3.76Å; F211-P320 HydrophobicContact CE1-CB 3.66Å; F211-P320 HydrophobicContact CE1-CG 3.71Å; F211-P320 HydrophobicContact CE2-CB 3.2Å; F211-P320 HydrophobicContact CE2-CG 4.17Å; F211-P320 HydrophobicContact CG-CB 4.22Å; F211-P320 HydrophobicContact CZ-CB 3.16Å; F211-P320 HydrophobicContact CZ-CG 3.63Å; L296-P320 HydrophobicContact CD1-CG 3.98Å; L296-P320 HydrophobicContact CD2-CG 4.07Å; S317-P320 WeakPolarHBondContact O-CD 3.47Å
321L82.4Confident85Confident33 Ų3343.7 Ų43.717%0.17323%0.227CC..Hα-helixtrans-74.3-41.3179.7-77.4171.4000112.7R205 F211 S318 I319R205-L321 PolarHBondContact NH1-O 3.06Å; R205-L321 PolarHBondContact NH2-O 3.35Å; F211-L321 HydrophobicContact CB-CD1 4.25Å; F211-L321 HydrophobicContact CB-CD2 3.49Å; F211-L321 VanDerWaalsContact CB-CD2 3.49Å; F211-L321 HydrophobicContact CB-CG 3.72Å; F211-L321 HydrophobicContact CG-CD2 4.36Å; F211-L321 HydrophobicContact CG-CG 4.34Å; S318-L321 PolarHBondContact O-N 2.95Å; S318-L321 VanDerWaalsContact O-N 3.15Å; I319-L321 PolarHBondContact O-N 2.85Å
322K85.4Confident84.4Confident121 Ų12149.7 Ų49.753%0.52626%0.258SS..Hα-helixtrans-84-21.4179.8-69-176.6178.5174.80112.1S318 R324 F327S318-K322 WeakPolarHBondContact O-CB 3.45Å; S318-K322 PolarHBondContact O-N 3.38Å; K322-R324 VanDerWaalsContact C-N 3.31Å; K322-R324 HydrophobicContact CB-CB 4.46Å; K322-R324 HydrophobicContact CB-CG 4.3Å; K322-R324 WeakPolarHBondContact O-CG 3.41Å; K322-F327 HydrophobicContact CD-CE1 4.15Å
323G87.3Confident82.9Confident4 Ų455 Ų554%0.04129%0.29CS..THydrogen-bonded Turntrans61.740.3-173.900000111.6L191 I319L191-G323 WeakPolarHBondContact CB-O 3.37Å; I319-G323 WeakPolarHBondContact O-CA 3.2Å; I319-G323 PolarHBondContact O-N 3.24Å
324R90.6Very high80.9Confident100 Ų10057 Ų5738%0.37730%0.304SS..  trans-137143.9-177.6-57.9-173-177.1174.82.8110.2A189 N190 I319 K322 F327A189-R324 WeakPolarHBondContact O-CG 3.42Å; N190-R324 HydrophobicContact CB-CB 4.46Å; N190-R324 HydrophobicContact CB-CG 4.33Å; N190-R324 WeakPolarHBondContact O-CA 2.95Å; I319-R324 WeakPolarHBondContact CG2-O 3.47Å; I319-R324 PolarHBondContact O-N 3.04Å; K322-R324 VanDerWaalsContact C-N 3.31Å; K322-R324 HydrophobicContact CB-CB 4.46Å; K322-R324 HydrophobicContact CB-CG 4.3Å; K322-R324 WeakPolarHBondContact O-CG 3.41Å; R324-F327 HydrophobicContact CB-CE1 4.16Å; R324-F327 HydrophobicContact CB-CZ 4.04Å; R324-F327 WeakPolarHBondContact O-CE2 3.33Å; R324-F327 WeakPolarHBondContact O-CZ 3.48Å
325N91.4Very high78.8Confident3 Ų360.7 Ų60.72%0.01632%0.32CS..SBendtrans-129.510173.876.4-29000113.2N190 L191 S192 L258 S260 A261 F262N190-N325 PolarHBondContact O-N 3.15Å; N190-N325 PolarHBondContact O-OD1 2.89Å; L191-N325 VanDerWaalsContact CA-OD1 3.29Å; L191-N325 WeakPolarHBondContact CA-OD1 3.48Å; L191-N325 HydrophobicContact CD1-CB 4.03Å; S192-N325 PolarHBondContact N-OD1 2.93Å; S192-N325 PolarHBondContact O-ND2 3Å; L258-N325 HydrophobicContact CD1-CB 4.43Å; L258-N325 HydrophobicContact CD2-CB 3.78Å; S260-N325 PolarHBondContact O-ND2 2.67Å; A261-N325 CarbonylContact C-O 3.53Å; A261-N325 VanDerWaalsContact CA-O 3.3Å; A261-N325 WeakPolarHBondContact CA-O 3.48Å; A261-N325 HydrophobicContact CB-CB 4.25Å; F262-N325 PolarHBondContact N-O 3.17Å
326Y91Very high76.5Confident90 Ų9065.9 Ų65.935%0.35337%0.373SS..EExtended strand (participates in β ladder)trans-124118.7172-172.9-84.1000108.5N190 F262 V328N190-Y326 PolarHBondContact O-N 3.3Å; N190-Y326 VanDerWaalsContact O-N 3.15Å; F262-Y326 HydrophobicContact CB-CD2 3.9Å; F262-Y326 HydrophobicContact CB-CE2 4.39Å; F262-Y326 AromaticContact CD1-CD2 3.44Å; F262-Y326 HydrophobicContact CD1-CD2 3.44Å; F262-Y326 VanDerWaalsContact CD1-CD2 3.44Å; F262-Y326 AromaticContact CD1-CE2 3.1Å; F262-Y326 HydrophobicContact CD1-CE2 3.1Å; F262-Y326 HydrophobicContact CD1-CG 4.35Å; F262-Y326 AromaticContact CD1-CZ 3.79Å; F262-Y326 HydrophobicContact CE1-CD2 4.26Å; F262-Y326 AromaticContact CE1-CE2 3.46Å; F262-Y326 HydrophobicContact CE1-CE2 3.46Å; F262-Y326 VanDerWaalsContact CE1-CE2 3.46Å; F262-Y326 AromaticContact CE1-CZ 3.85Å; F262-Y326 AromaticContact CG-CD2 3.98Å; F262-Y326 HydrophobicContact CG-CD2 3.98Å; F262-Y326 AromaticContact CG-CE2 3.96Å; F262-Y326 HydrophobicContact CG-CE2 3.96Å; F262-Y326 WeakPolarHBondContact O-CA 3.49Å; Y326-V328 HydrophobicContact CD1-CG2 4.24Å; Y326-V328 HydrophobicContact CE1-CG2 3.49Å; Y326-V328 VanDerWaalsContact CE1-CG2 3.49Å
327F89.6Confident76Confident21 Ų2168.3 Ų68.39%0.09239%0.387CS..EExtended strand (participates in β ladder)trans-126.1128.7-176.1-58.8-90.6000109.7F262 F263 Q264 I319 K322 R324F262-F327 PolarHBondContact O-N 2.65Å; F263-F327 CarbonylContact C-O 3.54Å; F263-F327 WeakPolarHBondContact CA-O 3.26Å; F263-F327 HydrophobicContact CD1-CB 3.64Å; F263-F327 AromaticContact CD1-CD2 3.64Å; F263-F327 HydrophobicContact CD1-CD2 3.64Å; F263-F327 AromaticContact CD1-CG 3.86Å; F263-F327 HydrophobicContact CD1-CG 3.86Å; F263-F327 HydrophobicContact CE1-CB 3.94Å; F263-F327 HydrophobicContact CE1-CD1 4.45Å; F263-F327 AromaticContact CE1-CD2 3.12Å; F263-F327 HydrophobicContact CE1-CD2 3.12Å; F263-F327 AromaticContact CE1-CE2 3.63Å; F263-F327 HydrophobicContact CE1-CE2 3.63Å; F263-F327 AromaticContact CE1-CG 3.6Å; F263-F327 HydrophobicContact CE1-CG 3.6Å; F263-F327 HydrophobicContact CE1-CZ 4.47Å; F263-F327 HydrophobicContact CE2-CD2 4.37Å; F263-F327 HydrophobicContact CG-CB 4.5Å; F263-F327 HydrophobicContact CG-CD2 4.42Å; F263-F327 AromaticContact CZ-CD2 3.56Å; F263-F327 HydrophobicContact CZ-CD2 3.56Å; F263-F327 AromaticContact CZ-CE2 3.71Å; F263-F327 HydrophobicContact CZ-CE2 3.71Å; F263-F327 HydrophobicContact CZ-CG 4.45Å; Q264-F327 PolarHBondContact N-O 3.09Å; I319-F327 HydrophobicContact CG1-CE2 3.85Å; I319-F327 HydrophobicContact CG1-CZ 3.96Å; K322-F327 HydrophobicContact CD-CE1 4.15Å; R324-F327 HydrophobicContact CB-CE1 4.16Å; R324-F327 HydrophobicContact CB-CZ 4.04Å; R324-F327 WeakPolarHBondContact O-CE2 3.33Å; R324-F327 WeakPolarHBondContact O-CZ 3.48Å
328V88.4Confident75.6Confident69 Ų6971.7 Ų71.742%0.41841%0.406SS..EExtended strand (participates in β ladder)trans-109.7123.8167.1-172.50000106.7Q264 E266 Y326 T330Q264-V328 CarbonylContact O-C 3.52Å; Q264-V328 WeakPolarHBondContact O-CA 3.36Å; E266-V328 HydrophobicContact CG-CG1 4.25Å; Y326-V328 HydrophobicContact CD1-CG2 4.24Å; Y326-V328 HydrophobicContact CE1-CG2 3.49Å; Y326-V328 VanDerWaalsContact CE1-CG2 3.49Å; V328-T330 HydrophobicContact CG1-CG2 4.15Å
329I86Confident75.1Confident59 Ų5975.7 Ų75.730%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-111.1112.9-179.2-55.8169.9000105.8Q264 L265 E266 L315Q264-I329 PolarHBondContact O-N 3.14Å; L265-I329 CarbonylContact C-O 3.57Å; L265-I329 WeakPolarHBondContact CA-O 3.41Å; L265-I329 HydrophobicContact CD1-CB 4Å; L265-I329 HydrophobicContact CD1-CG2 3.78Å; E266-I329 PolarHBondContact N-O 3.11Å; L315-I329 HydrophobicContact CD1-CD1 3.72Å; L315-I329 HydrophobicContact CD2-CD1 3.72Å; L315-I329 HydrophobicContact CD2-CG1 4.42Å; L315-I329 HydrophobicContact CG-CD1 4.4Å
330T86.1Confident74.3Confident82 Ų8280.2 Ų80.250%0.50345%0.454SS..EExtended strand (participates in β ladder)trans-108.2157.3177.256.20000110E266 V328 N332E266-T330 HydrophobicContact CB-CG2 4.26Å; E266-T330 WeakPolarHBondContact O-CA 3.29Å; V328-T330 HydrophobicContact CG1-CG2 4.15Å; T330-N332 PolarHBondContact O-N 3.5Å
331D76.8Confident73.6Confident56 Ų5685.2 Ų85.230%0.29948%0.483SS..  trans-52.6132.7167.4-87.3-45.5000110.4E266 T267 K268 K270 V333E266-D331 PolarHBondContact O-N 2.81Å; T267-D331 PolarHBondContact OG1-OD1 3.09Å; T267-D331 PolarHBondContact OG1-OD2 3.42Å; T267-D331 VanDerWaalsContact OG1-OD2 3.1Å; K268-D331 PolarHBondContact N-OD2 3.28Å; K270-D331 IonicContact NZ-OD1 3.89Å; K270-D331 PolarHBondContact NZ-OD1 2.9Å; K270-D331 IonicContact NZ-OD2 3.42Å; K270-D331 PolarHBondContact NZ-OD2 2.86Å; D331-V333 PolarHBondContact O-N 3.25Å; D331-V333 VanDerWaalsContact O-N 3.15Å
332N62.1Low73Confident157 Ų15788.7 Ų88.784%0.8450%0.503SS*.  trans-66.6113.1168.2-76-19.7000107.4T330 P334T330-N332 PolarHBondContact O-N 3.5Å; N332-P334 WeakPolarHBondContact O-CD 3.21Å
333V51.6Low72.1Confident123 Ų12386.4 Ų86.475%0.74550%0.502SS*.  trans-68.1115.6166.7-173.50000106.5D331 N335D331-V333 PolarHBondContact O-N 3.25Å; D331-V333 VanDerWaalsContact O-N 3.15Å; V333-N335 PolarHBondContact O-N 3.19Å
334P39.4Very low70.9Confident111 Ų11192.7 Ų92.772%0.72154%0.537SS*.SBendtrans-70115.7170.7-421.9000106.7N332N332-P334 WeakPolarHBondContact O-CD 3.21Å
335N35.3Very low69.3Low153 Ų15392.1 Ų92.182%0.81855%0.55SS**  trans79109.3174.3-50.2-28.8000116.7V333V333-N335 PolarHBondContact O-N 3.19Å
336A33.8Very low67.3Low181 Ų181100.2 Ų100.2100%1.49660%0.599SS**  trans-120.20140.200000107.5

Retrieved 336 of 336 residues in 330.5 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).