A0A087XFG1_POEFO Loading...

DnaJ homolog subfamily A member 1

AlphaFold DB , UniProt , Accession A0A087XFG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 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
1M56.1Low81.2Confident245 Ų24571.1 Ų71.1100%1.20738%0.378SS*.  01370-80.4-176.1-98.800106.1
2V73.5Confident81.7Confident42 Ų4270.8 Ų70.826%0.25541%0.405SS..  trans-79.7137.7-177.21790000108.6E4 Y8 P15 D65V2-E4 WeakPolarHBondContact CG1-O 3.42Å; V2-Y8 HydrophobicContact CG1-CD2 4.41Å; V2-Y8 HydrophobicContact CG1-CE2 3.86Å; V2-P15 HydrophobicContact CB-CB 4.46Å; V2-P15 HydrophobicContact CG2-CB 3.8Å; V2-D65 HydrophobicContact CG1-CB 4.35Å; V2-D65 WeakPolarHBondContact CG1-OD1 3.28Å; V2-D65 HydrophobicContact CG2-CB 4.37Å
3H73.4Confident82.4Confident129 Ų12967.2 Ų67.260%0.59739%0.385SS*.SBendtrans-66.5-40.3-178.1-167-84.5000112.8D65H3-D65 PolarHBondContact N-O 2.85Å
4E81.3Confident82.9Confident77 Ų7767.1 Ų67.136%0.3639%0.391SS..  trans-137.9140.9177.9-71.4-179.7166.800111.7V2 Y64 G68 E69V2-E4 WeakPolarHBondContact CG1-O 3.42Å; E4-Y64 HydrophobicContact CB-CE2 4.5Å; E4-Y64 WeakPolarHBondContact O-CE1 3.5Å; E4-G68 WeakPolarHBondContact OE2-CA 3.38Å; E4-E69 PolarHBondContact OE2-N 3.49Å
5T84.1Confident83.2Confident65 Ų6565.4 Ų65.440%0.39938%0.383SS..  trans-99.4-1.1179.2580000114.2Y7 Y8 D9 P15T5-Y7 PolarHBondContact O-N 3.41Å; T5-Y8 WeakPolarHBondContact O-CA 3.14Å; T5-Y8 WeakPolarHBondContact O-CB 3.43Å; T5-Y8 PolarHBondContact O-N 3.15Å; T5-D9 VanDerWaalsContact CB-OD2 3.28Å; T5-D9 WeakPolarHBondContact CB-OD2 3.26Å; T5-D9 VanDerWaalsContact O-CG 3.25Å; T5-D9 PolarHBondContact O-N 3.24Å; T5-D9 PolarHBondContact OG1-OD2 3.32Å; T5-P15 HydrophobicContact CG2-CG 4.08Å
6G84.6Confident83.3Confident34 Ų3473.7 Ų73.735%0.35141%0.412SS..Hα-helixtrans-53.3-44.5-169.500000115.2D9 L10 Y64G6-D9 PolarHBondContact O-N 3.3Å; G6-L10 WeakPolarHBondContact O-CB 3.44Å; G6-L10 VanDerWaalsContact O-CG 3.27Å; G6-L10 WeakPolarHBondContact O-CG 3.26Å; G6-L10 PolarHBondContact O-N 3.04Å; G6-Y64 PolarHBondContact N-OH 3.38Å
7Y87.6Confident83.5Confident9 Ų969.6 Ų69.64%0.03539%0.391CS..Hα-helixtrans-72.2-30.6177.4-66.8-28.5000113.7T5 L10 L11 H50 A51 V54 Y64 E69T5-Y7 PolarHBondContact O-N 3.41Å; Y7-L10 HydrophobicContact CD1-CD1 4.14Å; Y7-L11 PolarHBondContact O-N 3.38Å; Y7-H50 AromaticContact CE1-ND1 3.7Å; Y7-H50 AromaticContact CZ-CE1 3.78Å; Y7-H50 AromaticContact CZ-ND1 3.55Å; Y7-H50 PolarHBondContact OH-CE1 3.19Å; Y7-H50 PolarHBondContact OH-ND1 3.43Å; Y7-H50 VanDerWaalsContact OH-ND1 3.13Å; Y7-A51 HydrophobicContact CD1-CB 3.69Å; Y7-A51 HydrophobicContact CG-CB 3.95Å; Y7-V54 HydrophobicContact CD2-CB 3.98Å; Y7-V54 HydrophobicContact CD2-CG1 3.92Å; Y7-V54 HydrophobicContact CD2-CG2 4.37Å; Y7-V54 HydrophobicContact CE2-CB 3.97Å; Y7-V54 HydrophobicContact CE2-CG1 3.91Å; Y7-V54 HydrophobicContact CE2-CG2 3.85Å; Y7-Y64 AromaticContact CD2-CD1 3.97Å; Y7-Y64 HydrophobicContact CD2-CD1 3.97Å; Y7-Y64 AromaticContact CD2-CD2 3.57Å; Y7-Y64 HydrophobicContact CD2-CD2 3.57Å; Y7-Y64 AromaticContact CD2-CE1 3.65Å; Y7-Y64 HydrophobicContact CD2-CE1 3.65Å; Y7-Y64 AromaticContact CD2-CE2 3.24Å; Y7-Y64 HydrophobicContact CD2-CE2 3.24Å; Y7-Y64 AromaticContact CD2-CG 3.92Å; Y7-Y64 HydrophobicContact CD2-CG 3.92Å; Y7-Y64 AromaticContact CD2-CZ 3.27Å; Y7-Y64 AromaticContact CE2-CD2 3.53Å; Y7-Y64 HydrophobicContact CE2-CD2 3.53Å; Y7-Y64 AromaticContact CE2-CE2 3.31Å; Y7-Y64 HydrophobicContact CE2-CE2 3.31Å; Y7-Y64 HydrophobicContact CE2-CG 4.25Å; Y7-Y64 AromaticContact CE2-CZ 3.86Å; Y7-Y64 HydrophobicContact CG-CE1 4.13Å; Y7-Y64 HydrophobicContact CG-CE2 4.08Å; Y7-Y64 AromaticContact CG-CZ 3.73Å; Y7-Y64 PolarHBondContact N-OH 3.25Å; Y7-Y64 VanDerWaalsContact N-OH 3.09Å; Y7-E69 WeakPolarHBondContact OH-CG 3.24Å
8Y89.8Confident83.8Confident0 Ų068.7 Ų68.70%039%0.389CS..Hα-helixtrans-70.4-41.3174.7-65.3-76.5000110.8V2 T5 L11 G12 V13 P15 L55 R61 Y64 D65V2-Y8 HydrophobicContact CG1-CD2 4.41Å; V2-Y8 HydrophobicContact CG1-CE2 3.86Å; T5-Y8 WeakPolarHBondContact O-CA 3.14Å; T5-Y8 WeakPolarHBondContact O-CB 3.43Å; T5-Y8 PolarHBondContact O-N 3.15Å; Y8-L11 CarbonylContact O-C 3.57Å; Y8-L11 PolarHBondContact O-N 3.06Å; Y8-G12 PolarHBondContact O-N 3.49Å; Y8-V13 CarbonylContact C-O 3.4Å; Y8-V13 WeakPolarHBondContact CB-O 3.26Å; Y8-V13 HydrophobicContact CD1-CG2 4.07Å; Y8-V13 PolarHBondContact O-N 3.16Å; Y8-P15 HydrophobicContact CD2-CB 4.32Å; Y8-P15 HydrophobicContact CD2-CG 4.39Å; Y8-P15 HydrophobicContact CE2-CB 4.4Å; Y8-P15 HydrophobicContact CG-CB 4.4Å; Y8-P15 HydrophobicContact CG-CG 4.33Å; Y8-L55 HydrophobicContact CD1-CD1 3.76Å; Y8-L55 HydrophobicContact CD1-CD2 4.35Å; Y8-L55 HydrophobicContact CD2-CD2 4.44Å; Y8-L55 HydrophobicContact CE1-CD1 3.89Å; Y8-L55 HydrophobicContact CE1-CD2 3.72Å; Y8-L55 HydrophobicContact CE1-CG 4.4Å; Y8-L55 HydrophobicContact CE2-CD2 3.82Å; Y8-L55 HydrophobicContact CG-CD1 4.11Å; Y8-L55 VanDerWaalsContact CZ-CD2 3.43Å; Y8-R61 PolarHBondContact OH-NE 3.03Å; Y8-Y64 HydrophobicContact CD2-CE1 4.15Å; Y8-Y64 HydrophobicContact CE2-CD1 4.15Å; Y8-Y64 AromaticContact CE2-CE1 3.93Å; Y8-Y64 HydrophobicContact CE2-CE1 3.93Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.25Å; Y8-D65 VanDerWaalsContact OH-CG 3.3Å; Y8-D65 PolarHBondContact OH-OD1 3.27Å; Y8-D65 PolarHBondContact OH-OD2 3.48Å
9D88Confident83.9Confident105 Ų10568.8 Ų68.856%0.56139%0.392SS*.Hα-helixtrans-66.8-40177.8-62.8-33.1000111.5T5 G6 L11 G12T5-D9 VanDerWaalsContact CB-OD2 3.28Å; T5-D9 WeakPolarHBondContact CB-OD2 3.26Å; T5-D9 VanDerWaalsContact O-CG 3.25Å; T5-D9 PolarHBondContact O-N 3.24Å; T5-D9 PolarHBondContact OG1-OD2 3.32Å; G6-D9 PolarHBondContact O-N 3.3Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.21Å; D9-G12 PolarHBondContact O-N 3.2Å; D9-G12 VanDerWaalsContact O-N 3.1Å
10L87.1Confident83.9Confident72 Ų7270.5 Ų70.538%0.37740%0.4SS..Hα-helixtrans-63.1-37.1175.1-79.2169.2000113.2G6 Y7 G12 L47 A51G6-L10 WeakPolarHBondContact O-CB 3.44Å; G6-L10 VanDerWaalsContact O-CG 3.27Å; G6-L10 WeakPolarHBondContact O-CG 3.26Å; G6-L10 PolarHBondContact O-N 3.04Å; Y7-L10 HydrophobicContact CD1-CD1 4.14Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-L47 HydrophobicContact CD1-CB 4.42Å; L10-A51 HydrophobicContact CB-CB 4.33Å; L10-A51 HydrophobicContact CD1-CB 4.49Å
11L87.3Confident84.1Confident4 Ų472 Ų722%0.02140%0.403CS..Hα-helixtrans-84.5-9.3174.8-68.5-177.4000112.9Y7 Y8 D9 V13 I22 A25 Y26 L29 I48 A51 L55Y7-L11 PolarHBondContact O-N 3.38Å; Y8-L11 CarbonylContact O-C 3.57Å; Y8-L11 PolarHBondContact O-N 3.06Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.21Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 HydrophobicContact CB-CG2 3.88Å; L11-I22 HydrophobicContact CD1-CG2 3.87Å; L11-A25 WeakPolarHBondContact O-CB 3.39Å; L11-Y26 HydrophobicContact CD2-CD2 4.39Å; L11-L29 HydrophobicContact CD2-CD1 4.22Å; L11-I48 HydrophobicContact CD2-CG2 3.92Å; L11-A51 HydrophobicContact CD1-CB 4.35Å; L11-A51 HydrophobicContact CD2-CB 4.42Å; L11-A51 HydrophobicContact CG-CB 4.02Å; L11-L55 HydrophobicContact CD1-CD1 3.89Å
12G87.8Confident85.7Confident68 Ų6860.3 Ų60.370%0.70135%0.346SS*.THydrogen-bonded Turntrans65.433.8-177.400000113.3Y8 D9 L10Y8-G12 PolarHBondContact O-N 3.49Å; D9-G12 PolarHBondContact O-N 3.2Å; D9-G12 VanDerWaalsContact O-N 3.1Å; L10-G12 VanDerWaalsContact C-N 3.34Å
13V90.6Very high86.3Confident23 Ų2362.7 Ų62.714%0.13935%0.353CS..  trans-119.5156.8-179.2-67.10000111.4Y8 L11 A17 I22 A25Y8-V13 CarbonylContact C-O 3.4Å; Y8-V13 WeakPolarHBondContact CB-O 3.26Å; Y8-V13 HydrophobicContact CD1-CG2 4.07Å; Y8-V13 PolarHBondContact O-N 3.16Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 HydrophobicContact CB-CG2 3.88Å; V13-A17 HydrophobicContact CB-CB 3.9Å; V13-A17 HydrophobicContact CG2-CB 4.35Å; V13-I22 HydrophobicContact CG2-CG1 4.13Å; V13-A25 HydrophobicContact CG1-CB 3.41Å; V13-A25 VanDerWaalsContact CG1-CB 3.41Å
14S89Confident87.1Confident67 Ų6763.4 Ų63.447%0.46935%0.354SS..  trans-69.5149.7174.7-178.90000111.3K16 A17S14-K16 PolarHBondContact O-N 2.8Å; S14-K16 VanDerWaalsContact O-N 3.07Å; S14-K16 PolarHBondContact OG-N 3.26Å; S14-A17 WeakPolarHBondContact O-CB 3.47Å; S14-A17 PolarHBondContact O-N 3.2Å
15P87.3Confident87.5Confident41 Ų4160.6 Ų60.627%0.26634%0.344SS..THydrogen-bonded Turntrans-56.4-22.3168.3-26.535.4000114.1V2 T5 Y8 R61V2-P15 HydrophobicContact CB-CB 4.46Å; V2-P15 HydrophobicContact CG2-CB 3.8Å; T5-P15 HydrophobicContact CG2-CG 4.08Å; Y8-P15 HydrophobicContact CD2-CB 4.32Å; Y8-P15 HydrophobicContact CD2-CG 4.39Å; Y8-P15 HydrophobicContact CE2-CB 4.4Å; Y8-P15 HydrophobicContact CG-CB 4.4Å; Y8-P15 HydrophobicContact CG-CG 4.33Å; P15-R61 PolarHBondContact O-NH2 3.23Å
16K85.4Confident87.7Confident198 Ų19858.1 Ų58.186%0.86133%0.328SS*.THydrogen-bonded Turntrans-90.35174.3-65.4-174178.31800113.9S14S14-K16 PolarHBondContact O-N 2.8Å; S14-K16 VanDerWaalsContact O-N 3.07Å; S14-K16 PolarHBondContact OG-N 3.26Å
17A87.4Confident87.8Confident5 Ų562.8 Ų62.84%0.04133%0.334CS..  trans-63.1142.4-176.300000111.6V13 S14 E21 I22 R61V13-A17 HydrophobicContact CB-CB 3.9Å; V13-A17 HydrophobicContact CG2-CB 4.35Å; S14-A17 WeakPolarHBondContact O-CB 3.47Å; S14-A17 PolarHBondContact O-N 3.2Å; A17-E21 VanDerWaalsContact CA-OE2 3.29Å; A17-E21 WeakPolarHBondContact CA-OE2 3Å; A17-E21 HydrophobicContact CB-CB 4.15Å; A17-I22 HydrophobicContact CB-CG1 4.17Å; A17-R61 PolarHBondContact O-NH1 2.86Å; A17-R61 PolarHBondContact O-NH2 3.05Å
18S89Confident87.9Confident52 Ų5270.3 Ų70.336%0.36437%0.368SS..  trans-69.4158.8172.8620000111.2D20 E21 I22S18-D20 PolarHBondContact O-N 3.49Å; S18-E21 PolarHBondContact N-OE2 3.07Å; S18-E21 PolarHBondContact O-N 3.41Å; S18-E21 VanDerWaalsContact O-N 3.1Å; S18-E21 VanDerWaalsContact OG-CD 3.3Å; S18-E21 VanDerWaalsContact OG-CG 3.27Å; S18-E21 WeakPolarHBondContact OG-CG 3.44Å; S18-E21 PolarHBondContact OG-N 2.82Å; S18-E21 PolarHBondContact OG-OE2 3.36Å; S18-I22 WeakPolarHBondContact O-CG1 3.45Å; S18-I22 PolarHBondContact O-N 3.07Å
19T85.4Confident87.8Confident72 Ų7272 Ų7244%0.44238%0.377SS..Hα-helixtrans-57.2-33.4175.5490000112.1K23T19-K23 WeakPolarHBondContact O-CB 3.43Å; T19-K23 PolarHBondContact O-N 2.76Å
20D84.4Confident87.6Confident102 Ų10267.8 Ų67.855%0.54536%0.356SS..Hα-helixtrans-69.8-36.4176.3-76.2-31.1000113.2S18 K23 K24S18-D20 PolarHBondContact O-N 3.49Å; D20-K23 PolarHBondContact O-N 2.52Å; D20-K24 WeakPolarHBondContact O-CB 3.17Å; D20-K24 VanDerWaalsContact O-CG 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.4Å; D20-K24 PolarHBondContact O-N 3.09Å
21E86.9Confident87.4Confident102 Ų10270.1 Ų70.148%0.47737%0.368SS..Hα-helixtrans-68.3-43.1174.6-75.1166163.600111.3A17 S18 K23 K24 A25A17-E21 VanDerWaalsContact CA-OE2 3.29Å; A17-E21 WeakPolarHBondContact CA-OE2 3Å; A17-E21 HydrophobicContact CB-CB 4.15Å; S18-E21 PolarHBondContact N-OE2 3.07Å; S18-E21 PolarHBondContact O-N 3.41Å; S18-E21 VanDerWaalsContact O-N 3.1Å; S18-E21 VanDerWaalsContact OG-CD 3.3Å; S18-E21 VanDerWaalsContact OG-CG 3.27Å; S18-E21 WeakPolarHBondContact OG-CG 3.44Å; S18-E21 PolarHBondContact OG-N 2.82Å; S18-E21 PolarHBondContact OG-OE2 3.36Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 2.99Å; E21-K24 PolarHBondContact O-N 3.25Å; E21-A25 WeakPolarHBondContact O-CB 3.2Å; E21-A25 PolarHBondContact O-N 3.31Å
22I89.4Confident87.2Confident0 Ų075.7 Ų75.70%039%0.392CS..Hα-helixtrans-58.2-45.8173.7-69162.2000110.3L11 V13 A17 S18 K24 A25 Y26 Y52 L55 R61L11-I22 HydrophobicContact CD1-CG2 3.87Å; V13-I22 HydrophobicContact CG2-CG1 4.13Å; A17-I22 HydrophobicContact CB-CG1 4.17Å; S18-I22 WeakPolarHBondContact O-CG1 3.45Å; S18-I22 PolarHBondContact O-N 3.07Å; I22-K24 PolarHBondContact O-N 2.9Å; I22-A25 PolarHBondContact O-N 3Å; I22-Y26 WeakPolarHBondContact O-CB 3.41Å; I22-Y26 PolarHBondContact O-N 3.12Å; I22-Y52 HydrophobicContact CG2-CD2 3.9Å; I22-Y52 HydrophobicContact CG2-CE2 4.21Å; I22-L55 HydrophobicContact CD1-CB 4.3Å; I22-L55 HydrophobicContact CG2-CB 4.1Å; I22-R61 VanDerWaalsContact CD1-NH1 3.32Å
23K87.3Confident86.9Confident92 Ų9274.5 Ų74.540%0.437%0.367SS..Hα-helixtrans-67.8-32.2177.9-172175.5-178175.80113.6T19 D20 E21 R27 Y52T19-K23 WeakPolarHBondContact O-CB 3.43Å; T19-K23 PolarHBondContact O-N 2.76Å; D20-K23 PolarHBondContact O-N 2.52Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 2.99Å; K23-R27 WeakPolarHBondContact O-CG 3.44Å; K23-R27 PolarHBondContact O-N 2.7Å; K23-R27 PolarHBondContact O-NE 3.32Å; K23-R27 VanDerWaalsContact O-NE 3.17Å; K23-Y52 HydrophobicContact CB-CE2 4.13Å; K23-Y52 HydrophobicContact CG-CE2 4.37Å
24K88.7Confident86.4Confident143 Ų14376.9 Ų76.962%0.62238%0.376SS*.Hα-helixtrans-71.5-43.3174-78.8174.4-177.8175.60111.1D20 E21 I22 R27 K28D20-K24 WeakPolarHBondContact O-CB 3.17Å; D20-K24 VanDerWaalsContact O-CG 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.4Å; D20-K24 PolarHBondContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 3.25Å; I22-K24 PolarHBondContact O-N 2.9Å; K24-R27 PolarHBondContact O-N 3.12Å; K24-K28 PolarHBondContact O-N 3.03Å
25A89.8Confident85.8Confident19 Ų1976.3 Ų76.316%0.15737%0.371CS..Hα-helixtrans-63.4-46.2178.200000111.9L11 V13 E21 I22 R27 K28 L29L11-A25 WeakPolarHBondContact O-CB 3.39Å; V13-A25 HydrophobicContact CG1-CB 3.41Å; V13-A25 VanDerWaalsContact CG1-CB 3.41Å; E21-A25 WeakPolarHBondContact O-CB 3.2Å; E21-A25 PolarHBondContact O-N 3.31Å; I22-A25 PolarHBondContact O-N 3Å; A25-R27 PolarHBondContact O-N 2.8Å; A25-K28 PolarHBondContact O-N 2.9Å; A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 2.92Å
26Y89.6Confident85.2Confident13 Ų1381.1 Ų81.15%0.05139%0.394CS..Hα-helixtrans-57.1-48.4174.7174.5-105.3000112.1L11 I22 K28 L29 A30 I48 Y52 F91L11-Y26 HydrophobicContact CD2-CD2 4.39Å; I22-Y26 WeakPolarHBondContact O-CB 3.41Å; I22-Y26 PolarHBondContact O-N 3.12Å; Y26-K28 VanDerWaalsContact C-N 3.28Å; Y26-K28 PolarHBondContact O-N 2.9Å; Y26-L29 PolarHBondContact O-N 3.3Å; Y26-L29 VanDerWaalsContact O-N 3.14Å; Y26-A30 HydrophobicContact CE1-CB 4.17Å; Y26-A30 HydrophobicContact CE2-CB 4.2Å; Y26-A30 VanDerWaalsContact O-CB 3.25Å; Y26-A30 WeakPolarHBondContact O-CB 3.36Å; Y26-A30 PolarHBondContact O-N 3.34Å; Y26-I48 HydrophobicContact CD2-CG2 3.72Å; Y26-I48 HydrophobicContact CE2-CG2 3.91Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.48Å; Y26-Y52 AromaticContact CD1-CD1 3.91Å; Y26-Y52 HydrophobicContact CD1-CD1 3.91Å; Y26-Y52 HydrophobicContact CD1-CD2 4.1Å; Y26-Y52 HydrophobicContact CD1-CE1 4.11Å; Y26-Y52 HydrophobicContact CD1-CE2 4.3Å; Y26-Y52 AromaticContact CD1-CG 3.91Å; Y26-Y52 HydrophobicContact CD1-CG 3.91Å; Y26-Y52 VanDerWaalsContact CD2-CB 3.45Å; Y26-Y52 HydrophobicContact CD2-CD1 4.24Å; Y26-Y52 HydrophobicContact CD2-CD2 4.25Å; Y26-Y52 AromaticContact CD2-CG 3.72Å; Y26-Y52 HydrophobicContact CD2-CG 3.72Å; Y26-Y52 HydrophobicContact CE1-CD1 4.09Å; Y26-Y52 HydrophobicContact CE1-CE1 4.35Å; Y26-Y52 HydrophobicContact CE1-CG 4.44Å; Y26-Y52 HydrophobicContact CE2-CD1 4.42Å; Y26-Y52 HydrophobicContact CE2-CG 4.29Å; Y26-Y52 AromaticContact CG-CD1 4Å; Y26-Y52 HydrophobicContact CG-CD1 4Å; Y26-Y52 AromaticContact CG-CD2 3.67Å; Y26-Y52 HydrophobicContact CG-CD2 3.67Å; Y26-Y52 HydrophobicContact CG-CE2 4.26Å; Y26-Y52 AromaticContact CG-CG 3.52Å; Y26-Y52 HydrophobicContact CG-CG 3.52Å; Y26-F91 AromaticContact CE1-CE1 3.53Å; Y26-F91 HydrophobicContact CE1-CE1 3.53Å; Y26-F91 AromaticContact CE1-CZ 3.43Å; Y26-F91 HydrophobicContact CE1-CZ 3.43Å; Y26-F91 VanDerWaalsContact CE1-CZ 3.43Å; Y26-F91 HydrophobicContact CE2-CZ 4.4Å; Y26-F91 AromaticContact CZ-CE1 3.66Å; Y26-F91 AromaticContact CZ-CZ 3.33Å; Y26-F91 WeakPolarHBondContact OH-CE1 3.37Å; Y26-F91 WeakPolarHBondContact OH-CZ 3.49Å
27R86.9Confident84.6Confident131 Ų13178.6 Ų78.649%0.49438%0.384SS..Hα-helixtrans-58.4-39.3179-81.2-176.2-81.2-175-3.7112.9K23 K24 A25 L31K23-R27 WeakPolarHBondContact O-CG 3.44Å; K23-R27 PolarHBondContact O-N 2.7Å; K23-R27 PolarHBondContact O-NE 3.32Å; K23-R27 VanDerWaalsContact O-NE 3.17Å; K24-R27 PolarHBondContact O-N 3.12Å; A25-R27 PolarHBondContact O-N 2.8Å; R27-L31 WeakPolarHBondContact O-CD1 3.44Å; R27-L31 WeakPolarHBondContact O-CG 3.42Å; R27-L31 PolarHBondContact O-N 3.09Å
28K88.8Confident83.9Confident168 Ų16881.9 Ų81.973%0.7340%0.4SS*.Hα-helixtrans-66.2-41.6177.5-172-179.8179.5-176.90111.7K24 A25 Y26 K32K24-K28 PolarHBondContact O-N 3.03Å; A25-K28 PolarHBondContact O-N 2.9Å; Y26-K28 VanDerWaalsContact C-N 3.28Å; Y26-K28 PolarHBondContact O-N 2.9Å; K28-K32 PolarHBondContact O-N 3.45Å
29L87Confident83Confident36 Ų3684.3 Ų84.319%0.18842%0.415CS..Hα-helixtrans-75.5-39.6-179.8-69.7171.9000112.5L11 A25 Y26 L31 K32 Y33 I48L11-L29 HydrophobicContact CD2-CD1 4.22Å; A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 2.92Å; Y26-L29 PolarHBondContact O-N 3.3Å; Y26-L29 VanDerWaalsContact O-N 3.14Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.82Å; L29-K32 PolarHBondContact O-N 3.18Å; L29-K32 VanDerWaalsContact O-N 3.07Å; L29-Y33 HydrophobicContact CD2-CD2 4.37Å; L29-Y33 HydrophobicContact CD2-CE2 3.95Å; L29-Y33 WeakPolarHBondContact O-CD2 3.29Å; L29-Y33 PolarHBondContact O-N 3.19Å; L29-I48 HydrophobicContact CB-CD1 4.14Å; L29-I48 HydrophobicContact CB-CG2 3.93Å; L29-I48 HydrophobicContact CD1-CG2 4.38Å
30A83.7Confident82.4Confident15 Ų1588.5 Ų88.512%0.12444%0.435CS..Hα-helixtrans-62.2-37.6177.100000112.3Y26 K32 H34 F45Y26-A30 HydrophobicContact CE1-CB 4.17Å; Y26-A30 HydrophobicContact CE2-CB 4.2Å; Y26-A30 VanDerWaalsContact O-CB 3.25Å; Y26-A30 WeakPolarHBondContact O-CB 3.36Å; Y26-A30 PolarHBondContact O-N 3.34Å; A30-K32 VanDerWaalsContact C-N 3.34Å; A30-H34 WeakPolarHBondContact O-CB 3.49Å; A30-H34 PolarHBondContact O-N 2.89Å; A30-H34 VanDerWaalsContact O-N 3.13Å; A30-F45 HydrophobicContact CB-CE2 3.98Å
31L83.6Confident81.9Confident122 Ų12286.7 Ų86.764%0.63942%0.423SS*.Hα-helixtrans-68-32.7173.1-81.7163.7000113R27 L29R27-L31 WeakPolarHBondContact O-CD1 3.44Å; R27-L31 WeakPolarHBondContact O-CG 3.42Å; R27-L31 PolarHBondContact O-N 3.09Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 2.82Å
32K82.7Confident81.2Confident121 Ų12182.9 Ų82.953%0.52641%0.411SS..Hα-helixtrans-77.8-39.2-178.4-172.5-178.5177.9-1640111.9K28 L29 A30 N38K28-K32 PolarHBondContact O-N 3.45Å; L29-K32 PolarHBondContact O-N 3.18Å; L29-K32 VanDerWaalsContact O-N 3.07Å; A30-K32 VanDerWaalsContact C-N 3.34Å; K32-N38 PolarHBondContact O-ND2 3.28Å
33Y82.3Confident80.5Confident43 Ų4390.4 Ų90.417%0.16945%0.446CS..SBendtrans-106.319.2-175.2-63.1-72000113.2L29 E41 K44 F45 I48L29-Y33 HydrophobicContact CD2-CD2 4.37Å; L29-Y33 HydrophobicContact CD2-CE2 3.95Å; L29-Y33 WeakPolarHBondContact O-CD2 3.29Å; L29-Y33 PolarHBondContact O-N 3.19Å; Y33-E41 HydrophobicContact CD1-CB 4.02Å; Y33-E41 HydrophobicContact CD1-CG 4.48Å; Y33-K44 HydrophobicContact CD1-CB 4.46Å; Y33-K44 HydrophobicContact CE1-CD 4.23Å; Y33-F45 WeakPolarHBondContact O-CB 3.36Å; Y33-F45 WeakPolarHBondContact O-CD2 3.49Å; Y33-I48 HydrophobicContact CD2-CD1 3.59Å; Y33-I48 HydrophobicContact CE2-CD1 4.12Å; Y33-I48 HydrophobicContact CG-CD1 4.25Å
34H80.7Confident80.1Confident72 Ų7290.5 Ų90.533%0.33345%0.446SS..  trans-60.6132.1179.2-164.2-85.3000111A30 D36 K37 N38A30-H34 WeakPolarHBondContact O-CB 3.49Å; A30-H34 PolarHBondContact O-N 2.89Å; A30-H34 VanDerWaalsContact O-N 3.13Å; H34-D36 VanDerWaalsContact C-N 3.28Å; H34-D36 IonicContact CE1-OD2 3.84Å; H34-D36 PolarHBondContact CE1-OD2 3.03Å; H34-D36 WeakPolarHBondContact ND1-CB 3.4Å; H34-D36 PolarHBondContact ND1-N 3.19Å; H34-D36 IonicContact ND1-OD2 2.61Å; H34-D36 PolarHBondContact O-N 2.91Å; H34-K37 PolarHBondContact O-N 3.47Å; H34-N38 PolarHBondContact O-N 2.93Å
35P74.8Confident79.8Confident56 Ų5684.5 Ų84.536%0.36442%0.42SS..THydrogen-bonded Turntrans-58.9-34.8-175.118.8-30.5000113.6K37 N38 P39P35-K37 VanDerWaalsContact C-N 3.27Å; P35-K37 PolarHBondContact O-N 3.27Å; P35-N38 CarbonylContact O-C 3.52Å; P35-P39 WeakPolarHBondContact O-CA 3.28Å
36D75.2Confident79.4Confident141 Ų14189 Ų8975%0.75444%0.436SS*.THydrogen-bonded Turntrans-62.7-30.3174.7-68.3-7.8000114.1H34H34-D36 VanDerWaalsContact C-N 3.28Å; H34-D36 IonicContact CE1-OD2 3.84Å; H34-D36 PolarHBondContact CE1-OD2 3.03Å; H34-D36 WeakPolarHBondContact ND1-CB 3.4Å; H34-D36 PolarHBondContact ND1-N 3.19Å; H34-D36 IonicContact ND1-OD2 2.61Å; H34-D36 PolarHBondContact O-N 2.91Å
37K73.8Confident79.1Confident146 Ų14692.9 Ų92.964%0.63546%0.457SS*.THydrogen-bonded Turntrans-96-27.7-177.7-67.4-173.3179.1-176.70112.3H34 P35H34-K37 PolarHBondContact O-N 3.47Å; P35-K37 VanDerWaalsContact C-N 3.27Å; P35-K37 PolarHBondContact O-N 3.27Å
38N71.4Confident79.1Confident73 Ų7387 Ų8739%0.3944%0.436SS..  trans-140.581.5-178.6-73-51.9000110.7K32 H34 P35 N40 E41K32-N38 PolarHBondContact O-ND2 3.28Å; H34-N38 PolarHBondContact O-N 2.93Å; P35-N38 CarbonylContact O-C 3.52Å; N38-N40 PolarHBondContact O-N 3.06Å; N38-E41 HydrophobicContact CB-CB 4.23Å; N38-E41 PolarHBondContact O-N 3.5Å
39P70.4Confident79Confident103 Ų10379.4 Ų79.467%0.66940%0.403SS*.G310 helixtrans-60.4-27.6-176.2-24.133.7000114.3P35P35-P39 WeakPolarHBondContact O-CA 3.28Å
40N73.5Confident78.9Confident161 Ų16181.2 Ų81.286%0.86141%0.411SS*.G310 helixtrans-86.9-3.8-176.2-65.7-7.3000114.1N38N38-N40 PolarHBondContact O-N 3.06Å
41E73.2Confident79.1Confident64 Ų6480.5 Ų80.530%0.29941%0.405SS..G310 helixtrans-114.419.1-176.1-70.4-79.4-15700112.5Y33 N38 E43 K44 F45Y33-E41 HydrophobicContact CD1-CB 4.02Å; Y33-E41 HydrophobicContact CD1-CG 4.48Å; N38-E41 HydrophobicContact CB-CB 4.23Å; N38-E41 PolarHBondContact O-N 3.5Å; E41-E43 PolarHBondContact O-N 3.16Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-K44 VanDerWaalsContact O-N 3.16Å; E41-K44 IonicContact OE1-NZ 3.78Å; E41-K44 PolarHBondContact OE1-NZ 2.69Å; E41-K44 WeakPolarHBondContact OE2-CD 3.32Å; E41-K44 WeakPolarHBondContact OE2-CE 3.24Å; E41-K44 WeakPolarHBondContact OE2-CG 3.36Å; E41-K44 IonicContact OE2-NZ 2.79Å; E41-K44 PolarHBondContact OE2-NZ 3.46Å; E41-F45 PolarHBondContact O-N 2.84Å
42G72.2Confident79.3Confident21 Ų2176.2 Ų76.222%0.21638%0.381CS..Hα-helixtrans-60.3-28.4-17800000114.1F45 K46G42-F45 PolarHBondContact O-N 2.84Å; G42-K46 WeakPolarHBondContact O-CG 3.44Å; G42-K46 PolarHBondContact O-N 2.86Å; G42-K46 VanDerWaalsContact O-N 3.1Å
43E75.3Confident79.5Confident158 Ų15872.9 Ų72.974%0.73837%0.367SS*.Hα-helixtrans-67.6-39.7176.3-66.6-172.2164.500112.5E41 F45 K46 L47E41-E43 PolarHBondContact O-N 3.16Å; E43-F45 VanDerWaalsContact C-N 3.32Å; E43-F45 PolarHBondContact O-N 2.79Å; E43-K46 WeakPolarHBondContact O-CB 3.22Å; E43-K46 PolarHBondContact O-N 3.4Å; E43-L47 PolarHBondContact O-N 2.96Å; E43-L47 VanDerWaalsContact O-N 3.15Å
44K78.9Confident79.8Confident94 Ų9471 Ų7141%0.40936%0.36SS..Hα-helixtrans-66.2-38.4175.9-66.8-171-171137.50111.2Y33 E41 K46 L47 I48Y33-K44 HydrophobicContact CD1-CB 4.46Å; Y33-K44 HydrophobicContact CE1-CD 4.23Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-K44 VanDerWaalsContact O-N 3.16Å; E41-K44 IonicContact OE1-NZ 3.78Å; E41-K44 PolarHBondContact OE1-NZ 2.69Å; E41-K44 WeakPolarHBondContact OE2-CD 3.32Å; E41-K44 WeakPolarHBondContact OE2-CE 3.24Å; E41-K44 WeakPolarHBondContact OE2-CG 3.36Å; E41-K44 IonicContact OE2-NZ 2.79Å; E41-K44 PolarHBondContact OE2-NZ 3.46Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 2.83Å; K44-L47 PolarHBondContact O-N 2.88Å; K44-I48 WeakPolarHBondContact O-CB 3.41Å; K44-I48 VanDerWaalsContact O-CD1 3.31Å; K44-I48 WeakPolarHBondContact O-CD1 3.25Å; K44-I48 VanDerWaalsContact O-CG1 3.24Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.1Å
45F82.3Confident80.1Confident18 Ų1867.6 Ų67.68%0.07934%0.344CS..Hα-helixtrans-61.9-39.6175.7-175.5-101.5000112.4A30 Y33 E41 G42 E43 I48 S49 F87A30-F45 HydrophobicContact CB-CE2 3.98Å; Y33-F45 WeakPolarHBondContact O-CB 3.36Å; Y33-F45 WeakPolarHBondContact O-CD2 3.49Å; E41-F45 PolarHBondContact O-N 2.84Å; G42-F45 PolarHBondContact O-N 2.84Å; E43-F45 VanDerWaalsContact C-N 3.32Å; E43-F45 PolarHBondContact O-N 2.79Å; F45-I48 PolarHBondContact O-N 2.91Å; F45-S49 WeakPolarHBondContact O-CB 3.44Å; F45-S49 PolarHBondContact O-N 3.31Å; F45-S49 PolarHBondContact O-OG 3.16Å; F45-F87 HydrophobicContact CD1-CZ 4.48Å; F45-F87 AromaticContact CE1-CE1 3.98Å; F45-F87 HydrophobicContact CE1-CE1 3.98Å; F45-F87 AromaticContact CE1-CE2 3.91Å; F45-F87 HydrophobicContact CE1-CE2 3.91Å; F45-F87 AromaticContact CE1-CZ 3.34Å; F45-F87 HydrophobicContact CE1-CZ 3.34Å; F45-F87 HydrophobicContact CZ-CE2 4.33Å; F45-F87 AromaticContact CZ-CZ 3.72Å; F45-F87 HydrophobicContact CZ-CZ 3.72Å
46K81Confident80.6Confident114 Ų11466.6 Ų66.650%0.49634%0.339SS..Hα-helixtrans-61.1-47.4174.1-70.9172.1-177.2179.70111.8G42 E43 K44 I48 S49 H50G42-K46 WeakPolarHBondContact O-CG 3.44Å; G42-K46 PolarHBondContact O-N 2.86Å; G42-K46 VanDerWaalsContact O-N 3.1Å; E43-K46 WeakPolarHBondContact O-CB 3.22Å; E43-K46 PolarHBondContact O-N 3.4Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 2.83Å; K46-I48 PolarHBondContact O-N 3.45Å; K46-S49 PolarHBondContact O-N 3.34Å; K46-H50 WeakPolarHBondContact O-CB 3.29Å; K46-H50 PolarHBondContact O-N 3.21Å
47L83.9Confident81.1Confident94 Ų9463.1 Ų63.149%0.49232%0.32SS..Hα-helixtrans-63.5-41.7178.9-67.7171.7000112.5L10 E43 K44 S49 H50 A51L10-L47 HydrophobicContact CD1-CB 4.42Å; E43-L47 PolarHBondContact O-N 2.96Å; E43-L47 VanDerWaalsContact O-N 3.15Å; K44-L47 PolarHBondContact O-N 2.88Å; L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 2.95Å; L47-H50 PolarHBondContact O-N 2.89Å; L47-A51 WeakPolarHBondContact O-CB 3.27Å; L47-A51 PolarHBondContact O-N 2.95Å
48I86.6Confident81.6Confident8 Ų860 Ų604%0.04131%0.314CS..Hα-helixtrans-64.3-39.5177-71.5159.7000111.2L11 Y26 L29 Y33 K44 F45 K46 Y52L11-I48 HydrophobicContact CD2-CG2 3.92Å; Y26-I48 HydrophobicContact CD2-CG2 3.72Å; Y26-I48 HydrophobicContact CE2-CG2 3.91Å; L29-I48 HydrophobicContact CB-CD1 4.14Å; L29-I48 HydrophobicContact CB-CG2 3.93Å; L29-I48 HydrophobicContact CD1-CG2 4.38Å; Y33-I48 HydrophobicContact CD2-CD1 3.59Å; Y33-I48 HydrophobicContact CE2-CD1 4.12Å; Y33-I48 HydrophobicContact CG-CD1 4.25Å; K44-I48 WeakPolarHBondContact O-CB 3.41Å; K44-I48 VanDerWaalsContact O-CD1 3.31Å; K44-I48 WeakPolarHBondContact O-CD1 3.25Å; K44-I48 VanDerWaalsContact O-CG1 3.24Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.1Å; F45-I48 PolarHBondContact O-N 2.91Å; K46-I48 PolarHBondContact O-N 3.45Å; I48-Y52 PolarHBondContact O-N 3.44Å; I48-Y52 VanDerWaalsContact O-N 3.07Å
49S86.3Confident82.1Confident7 Ų764.2 Ų64.25%0.04933%0.329CS..Hα-helixtrans-68.6-42178.4-58.20000111.7F45 K46 L47 Y52 E53 F87F45-S49 WeakPolarHBondContact O-CB 3.44Å; F45-S49 PolarHBondContact O-N 3.31Å; F45-S49 PolarHBondContact O-OG 3.16Å; K46-S49 PolarHBondContact O-N 3.34Å; L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 2.95Å; S49-Y52 PolarHBondContact O-N 2.93Å; S49-E53 PolarHBondContact O-N 3.37Å; S49-F87 WeakPolarHBondContact OG-CE2 3.47Å
50H85.9Confident82.8Confident74 Ų7462.7 Ų62.734%0.34331%0.312SS..Hα-helixtrans-63.1-45.8175-170.6-107.1000112Y7 K46 L47 Y52 E53 V54Y7-H50 AromaticContact CE1-ND1 3.7Å; Y7-H50 AromaticContact CZ-CE1 3.78Å; Y7-H50 AromaticContact CZ-ND1 3.55Å; Y7-H50 PolarHBondContact OH-CE1 3.19Å; Y7-H50 PolarHBondContact OH-ND1 3.43Å; Y7-H50 VanDerWaalsContact OH-ND1 3.13Å; K46-H50 WeakPolarHBondContact O-CB 3.29Å; K46-H50 PolarHBondContact O-N 3.21Å; L47-H50 PolarHBondContact O-N 2.89Å; H50-Y52 VanDerWaalsContact C-N 3.29Å; H50-Y52 PolarHBondContact O-N 3.22Å; H50-E53 PolarHBondContact O-N 2.75Å; H50-E53 VanDerWaalsContact O-N 3.17Å; H50-V54 PolarHBondContact O-N 3.49Å
51A87.8Confident83.3Confident0 Ų056.5 Ų56.50%028%0.277CS..Hα-helixtrans-58.6-40.917600000112Y7 L10 L11 L47 L55Y7-A51 HydrophobicContact CD1-CB 3.69Å; Y7-A51 HydrophobicContact CG-CB 3.95Å; L10-A51 HydrophobicContact CB-CB 4.33Å; L10-A51 HydrophobicContact CD1-CB 4.49Å; L11-A51 HydrophobicContact CD1-CB 4.35Å; L11-A51 HydrophobicContact CD2-CB 4.42Å; L11-A51 HydrophobicContact CG-CB 4.02Å; L47-A51 WeakPolarHBondContact O-CB 3.27Å; L47-A51 PolarHBondContact O-N 2.95Å; A51-L55 WeakPolarHBondContact O-CB 3.44Å; A51-L55 VanDerWaalsContact O-CG 3.29Å; A51-L55 WeakPolarHBondContact O-CG 3.39Å; A51-L55 PolarHBondContact O-N 3.17Å
52Y88.1Confident83.8Confident33 Ų3357.8 Ų57.813%0.12929%0.285CS..Hα-helixtrans-68.4-38.3175.9178.3-104000112.8I22 K23 Y26 I48 S49 H50 V54 L55 S56 F91I22-Y52 HydrophobicContact CG2-CD2 3.9Å; I22-Y52 HydrophobicContact CG2-CE2 4.21Å; K23-Y52 HydrophobicContact CB-CE2 4.13Å; K23-Y52 HydrophobicContact CG-CE2 4.37Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.48Å; Y26-Y52 AromaticContact CD1-CD1 3.91Å; Y26-Y52 HydrophobicContact CD1-CD1 3.91Å; Y26-Y52 HydrophobicContact CD1-CD2 4.1Å; Y26-Y52 HydrophobicContact CD1-CE1 4.11Å; Y26-Y52 HydrophobicContact CD1-CE2 4.3Å; Y26-Y52 AromaticContact CD1-CG 3.91Å; Y26-Y52 HydrophobicContact CD1-CG 3.91Å; Y26-Y52 VanDerWaalsContact CD2-CB 3.45Å; Y26-Y52 HydrophobicContact CD2-CD1 4.24Å; Y26-Y52 HydrophobicContact CD2-CD2 4.25Å; Y26-Y52 AromaticContact CD2-CG 3.72Å; Y26-Y52 HydrophobicContact CD2-CG 3.72Å; Y26-Y52 HydrophobicContact CE1-CD1 4.09Å; Y26-Y52 HydrophobicContact CE1-CE1 4.35Å; Y26-Y52 HydrophobicContact CE1-CG 4.44Å; Y26-Y52 HydrophobicContact CE2-CD1 4.42Å; Y26-Y52 HydrophobicContact CE2-CG 4.29Å; Y26-Y52 AromaticContact CG-CD1 4Å; Y26-Y52 HydrophobicContact CG-CD1 4Å; Y26-Y52 AromaticContact CG-CD2 3.67Å; Y26-Y52 HydrophobicContact CG-CD2 3.67Å; Y26-Y52 HydrophobicContact CG-CE2 4.26Å; Y26-Y52 AromaticContact CG-CG 3.52Å; Y26-Y52 HydrophobicContact CG-CG 3.52Å; I48-Y52 PolarHBondContact O-N 3.44Å; I48-Y52 VanDerWaalsContact O-N 3.07Å; S49-Y52 PolarHBondContact O-N 2.93Å; H50-Y52 VanDerWaalsContact C-N 3.29Å; H50-Y52 PolarHBondContact O-N 3.22Å; Y52-V54 VanDerWaalsContact C-N 3.33Å; Y52-V54 PolarHBondContact O-N 3.43Å; Y52-L55 PolarHBondContact O-N 3.28Å; Y52-S56 WeakPolarHBondContact O-CA 3.3Å; Y52-S56 WeakPolarHBondContact O-CB 3.47Å; Y52-S56 PolarHBondContact O-N 3.28Å; Y52-S56 PolarHBondContact O-OG 3.05Å; Y52-F91 HydrophobicContact CD1-CZ 4.11Å; Y52-F91 HydrophobicContact CE1-CZ 4.27Å
53E87.2Confident84.3Confident51 Ų5161.1 Ų61.124%0.23830%0.298CS..Hα-helixtrans-59.1-45177.3-166.5-163.4147.900111.7S49 H50 S56 K60S49-E53 PolarHBondContact O-N 3.37Å; H50-E53 PolarHBondContact O-N 2.75Å; H50-E53 VanDerWaalsContact O-N 3.17Å; E53-S56 PolarHBondContact O-OG 2.81Å; E53-K60 IonicContact OE1-NZ 2.81Å; E53-K60 PolarHBondContact OE1-NZ 3.14Å
54V86.6Confident84.7Confident3 Ų353.7 Ų53.72%0.01826%0.263CS..Hα-helixtrans-70.8-43.6179.81790000111.4Y7 H50 Y52 K60 R61 Y64 I72Y7-V54 HydrophobicContact CD2-CB 3.98Å; Y7-V54 HydrophobicContact CD2-CG1 3.92Å; Y7-V54 HydrophobicContact CD2-CG2 4.37Å; Y7-V54 HydrophobicContact CE2-CB 3.97Å; Y7-V54 HydrophobicContact CE2-CG1 3.91Å; Y7-V54 HydrophobicContact CE2-CG2 3.85Å; H50-V54 PolarHBondContact O-N 3.49Å; Y52-V54 VanDerWaalsContact C-N 3.33Å; Y52-V54 PolarHBondContact O-N 3.43Å; V54-K60 HydrophobicContact CG1-CB 4.43Å; V54-K60 CarbonylContact O-C 3.51Å; V54-K60 WeakPolarHBondContact O-CB 3.45Å; V54-R61 PolarHBondContact O-N 3.41Å; V54-R61 VanDerWaalsContact O-N 3.13Å; V54-Y64 HydrophobicContact CG1-CD2 4.3Å; V54-Y64 HydrophobicContact CG1-CG 3.93Å; V54-I72 HydrophobicContact CG1-CD1 3.99Å; V54-I72 HydrophobicContact CG1-CG1 4.04Å; V54-I72 HydrophobicContact CG2-CG2 4.17Å
55L87.2Confident85Confident0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-83.9-14.8-174.7-64.8-178.6000114.6Y8 L11 I22 A51 Y52 R61 Y64Y8-L55 HydrophobicContact CD1-CD1 3.76Å; Y8-L55 HydrophobicContact CD1-CD2 4.35Å; Y8-L55 HydrophobicContact CD2-CD2 4.44Å; Y8-L55 HydrophobicContact CE1-CD1 3.89Å; Y8-L55 HydrophobicContact CE1-CD2 3.72Å; Y8-L55 HydrophobicContact CE1-CG 4.4Å; Y8-L55 HydrophobicContact CE2-CD2 3.82Å; Y8-L55 HydrophobicContact CG-CD1 4.11Å; Y8-L55 VanDerWaalsContact CZ-CD2 3.43Å; L11-L55 HydrophobicContact CD1-CD1 3.89Å; I22-L55 HydrophobicContact CD1-CB 4.3Å; I22-L55 HydrophobicContact CG2-CB 4.1Å; A51-L55 WeakPolarHBondContact O-CB 3.44Å; A51-L55 VanDerWaalsContact O-CG 3.29Å; A51-L55 WeakPolarHBondContact O-CG 3.39Å; A51-L55 PolarHBondContact O-N 3.17Å; Y52-L55 PolarHBondContact O-N 3.28Å; L55-R61 HydrophobicContact CD2-CG 4.11Å; L55-Y64 HydrophobicContact CD2-CD1 3.94Å; L55-Y64 HydrophobicContact CD2-CE1 4.36Å
56S86.3Confident84.9Confident36 Ų3657 Ų5725%0.25228%0.281SS..Hα-helixtrans-82.1-29.6-179.764.10000113.8Y52 E53Y52-S56 WeakPolarHBondContact O-CA 3.3Å; Y52-S56 WeakPolarHBondContact O-CB 3.47Å; Y52-S56 PolarHBondContact O-N 3.28Å; Y52-S56 PolarHBondContact O-OG 3.05Å; E53-S56 PolarHBondContact O-OG 2.81Å
57D84.9Confident84.7Confident67 Ų6752.8 Ų52.836%0.35827%0.271SS..SBendtrans-90.8121.6174.7-172.9-35.8000109.8K59 K60 R61D57-K59 PolarHBondContact O-N 3.24Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.31Å; D57-K59 PolarHBondContact OD1-N 3.42Å; D57-K60 HydrophobicContact CB-CB 4.12Å; D57-K60 HydrophobicContact CB-CD 4.22Å; D57-K60 HydrophobicContact CB-CG 4.11Å; D57-K60 PolarHBondContact O-N 2.77Å; D57-R61 WeakPolarHBondContact O-CB 3.13Å; D57-R61 PolarHBondContact O-N 2.9Å
58P84.9Confident84.4Confident80 Ų8048.3 Ų48.352%0.51925%0.247SC..Hα-helixtrans-52.5-36.3178.6-26.834.6000114.2D62P58-D62 WeakPolarHBondContact O-CB 3.09Å; P58-D62 VanDerWaalsContact O-CG 3.3Å; P58-D62 PolarHBondContact O-N 3.19Å
59K82.2Confident83.9Confident163 Ų16351.4 Ų51.471%0.70926%0.261SS*.Hα-helixtrans-73.8-40.6-178.5-65.6-178178.8-179.70112.3D57 L63D57-K59 PolarHBondContact O-N 3.24Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.31Å; D57-K59 PolarHBondContact OD1-N 3.42Å; K59-L63 PolarHBondContact O-N 2.95Å; K59-L63 VanDerWaalsContact O-N 3.15Å
60K84Confident83.1Confident70 Ų7058 Ų5830%0.30429%0.292SS..Hα-helixtrans-70.9-36.5176.7-67.7-175.3176.3179.10110.8E53 V54 D57 L63 Y64 I72E53-K60 IonicContact OE1-NZ 2.81Å; E53-K60 PolarHBondContact OE1-NZ 3.14Å; V54-K60 HydrophobicContact CG1-CB 4.43Å; V54-K60 CarbonylContact O-C 3.51Å; V54-K60 WeakPolarHBondContact O-CB 3.45Å; D57-K60 HydrophobicContact CB-CB 4.12Å; D57-K60 HydrophobicContact CB-CD 4.22Å; D57-K60 HydrophobicContact CB-CG 4.11Å; D57-K60 PolarHBondContact O-N 2.77Å; K60-L63 PolarHBondContact O-N 3.17Å; K60-Y64 WeakPolarHBondContact O-CB 3.5Å; K60-Y64 PolarHBondContact O-N 3.32Å; K60-I72 HydrophobicContact CB-CD1 4.41Å
61R85.8Confident82.2Confident31 Ų3155.8 Ų55.812%0.11729%0.286CS..Hα-helixtrans-61.5-47.2173.4-177.2177.7178.8172.51.5111.5Y8 P15 A17 I22 V54 L55 D57 L63 Y64 D65Y8-R61 PolarHBondContact OH-NE 3.03Å; P15-R61 PolarHBondContact O-NH2 3.23Å; A17-R61 PolarHBondContact O-NH1 2.86Å; A17-R61 PolarHBondContact O-NH2 3.05Å; I22-R61 VanDerWaalsContact CD1-NH1 3.32Å; V54-R61 PolarHBondContact O-N 3.41Å; V54-R61 VanDerWaalsContact O-N 3.13Å; L55-R61 HydrophobicContact CD2-CG 4.11Å; D57-R61 WeakPolarHBondContact O-CB 3.13Å; D57-R61 PolarHBondContact O-N 2.9Å; R61-L63 VanDerWaalsContact C-N 3.32Å; R61-L63 PolarHBondContact O-N 3.22Å; R61-Y64 PolarHBondContact O-N 3.13Å; R61-D65 IonicContact NE-OD2 2.83Å; R61-D65 WeakPolarHBondContact O-CB 3.49Å; R61-D65 PolarHBondContact O-N 2.96Å
62D82.3Confident81.4Confident91 Ų9157.5 Ų57.549%0.48730%0.295SS..Hα-helixtrans-62.1-39.8177.6-76.8-7.6000112.1P58 D65 Q66P58-D62 WeakPolarHBondContact O-CB 3.09Å; P58-D62 VanDerWaalsContact O-CG 3.3Å; P58-D62 PolarHBondContact O-N 3.19Å; D62-D65 PolarHBondContact O-N 3.23Å; D62-Q66 WeakPolarHBondContact O-CB 3.36Å; D62-Q66 VanDerWaalsContact O-CG 3.23Å; D62-Q66 WeakPolarHBondContact O-CG 3.38Å; D62-Q66 PolarHBondContact O-N 3.02Å; D62-Q66 VanDerWaalsContact O-N 3.07Å
63L82.6Confident80.2Confident91 Ų9162.8 Ų62.848%0.47632%0.318SS..Hα-helixtrans-63-44.5174.5-83.9161.7000112.2K59 K60 R61 Q66 G67 I72K59-L63 PolarHBondContact O-N 2.95Å; K59-L63 VanDerWaalsContact O-N 3.15Å; K60-L63 PolarHBondContact O-N 3.17Å; R61-L63 VanDerWaalsContact C-N 3.32Å; R61-L63 PolarHBondContact O-N 3.22Å; L63-Q66 PolarHBondContact O-N 3.17Å; L63-G67 PolarHBondContact O-N 2.8Å; L63-I72 HydrophobicContact CB-CD1 4.02Å
64Y83.6Confident78.6Confident2 Ų268.3 Ų68.31%0.00834%0.344CS..Hα-helixtrans-65.8-41.5176.1179.6-106.8000111.9E4 G6 Y7 Y8 V54 L55 K60 R61 Q66 G67 G68 E69 I72E4-Y64 HydrophobicContact CB-CE2 4.5Å; E4-Y64 WeakPolarHBondContact O-CE1 3.5Å; G6-Y64 PolarHBondContact N-OH 3.38Å; Y7-Y64 AromaticContact CD2-CD1 3.97Å; Y7-Y64 HydrophobicContact CD2-CD1 3.97Å; Y7-Y64 AromaticContact CD2-CD2 3.57Å; Y7-Y64 HydrophobicContact CD2-CD2 3.57Å; Y7-Y64 AromaticContact CD2-CE1 3.65Å; Y7-Y64 HydrophobicContact CD2-CE1 3.65Å; Y7-Y64 AromaticContact CD2-CE2 3.24Å; Y7-Y64 HydrophobicContact CD2-CE2 3.24Å; Y7-Y64 AromaticContact CD2-CG 3.92Å; Y7-Y64 HydrophobicContact CD2-CG 3.92Å; Y7-Y64 AromaticContact CD2-CZ 3.27Å; Y7-Y64 AromaticContact CE2-CD2 3.53Å; Y7-Y64 HydrophobicContact CE2-CD2 3.53Å; Y7-Y64 AromaticContact CE2-CE2 3.31Å; Y7-Y64 HydrophobicContact CE2-CE2 3.31Å; Y7-Y64 HydrophobicContact CE2-CG 4.25Å; Y7-Y64 AromaticContact CE2-CZ 3.86Å; Y7-Y64 HydrophobicContact CG-CE1 4.13Å; Y7-Y64 HydrophobicContact CG-CE2 4.08Å; Y7-Y64 AromaticContact CG-CZ 3.73Å; Y7-Y64 PolarHBondContact N-OH 3.25Å; Y7-Y64 VanDerWaalsContact N-OH 3.09Å; Y8-Y64 HydrophobicContact CD2-CE1 4.15Å; Y8-Y64 HydrophobicContact CE2-CD1 4.15Å; Y8-Y64 AromaticContact CE2-CE1 3.93Å; Y8-Y64 HydrophobicContact CE2-CE1 3.93Å; V54-Y64 HydrophobicContact CG1-CD2 4.3Å; V54-Y64 HydrophobicContact CG1-CG 3.93Å; L55-Y64 HydrophobicContact CD2-CD1 3.94Å; L55-Y64 HydrophobicContact CD2-CE1 4.36Å; K60-Y64 WeakPolarHBondContact O-CB 3.5Å; K60-Y64 PolarHBondContact O-N 3.32Å; R61-Y64 PolarHBondContact O-N 3.13Å; Y64-Q66 PolarHBondContact O-N 3.03Å; Y64-G67 PolarHBondContact O-N 3.43Å; Y64-G68 WeakPolarHBondContact O-CA 3.41Å; Y64-G68 PolarHBondContact O-N 3.17Å; Y64-E69 HydrophobicContact CE2-CB 4.46Å; Y64-I72 HydrophobicContact CD2-CG1 4.43Å
65D85.6Confident76.8Confident30 Ų3071.4 Ų71.416%0.1638%0.377CS..Hα-helixtrans-65.5-29.5-179.8-72.7-11.4000112V2 H3 Y8 R61 D62V2-D65 HydrophobicContact CG1-CB 4.35Å; V2-D65 WeakPolarHBondContact CG1-OD1 3.28Å; V2-D65 HydrophobicContact CG2-CB 4.37Å; H3-D65 PolarHBondContact N-O 2.85Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.25Å; Y8-D65 VanDerWaalsContact OH-CG 3.3Å; Y8-D65 PolarHBondContact OH-OD1 3.27Å; Y8-D65 PolarHBondContact OH-OD2 3.48Å; R61-D65 IonicContact NE-OD2 2.83Å; R61-D65 WeakPolarHBondContact O-CB 3.49Å; R61-D65 PolarHBondContact O-N 2.96Å; D62-D65 PolarHBondContact O-N 3.23Å
66Q81.2Confident74.8Confident151 Ų15173.7 Ų73.771%0.70640%0.401SS*.Hα-helixtrans-89.6-34.6178.8-69.6174.828.900114.1D62 L63 Y64D62-Q66 WeakPolarHBondContact O-CB 3.36Å; D62-Q66 VanDerWaalsContact O-CG 3.23Å; D62-Q66 WeakPolarHBondContact O-CG 3.38Å; D62-Q66 PolarHBondContact O-N 3.02Å; D62-Q66 VanDerWaalsContact O-N 3.07Å; L63-Q66 PolarHBondContact O-N 3.17Å; Y64-Q66 PolarHBondContact O-N 3.03Å
67G76.1Confident72.5Confident27 Ų2780.2 Ų80.228%0.27843%0.429SS..Hα-helixtrans-133.48.3-167.600000116.4L63 Y64 A71L63-G67 PolarHBondContact O-N 2.8Å; Y64-G67 PolarHBondContact O-N 3.43Å; G67-A71 WeakPolarHBondContact O-CB 3.42Å; G67-A71 PolarHBondContact O-N 2.87Å
68G78.2Confident70.2Confident0 Ų085.1 Ų85.10%046%0.455CS..Hα-helixtrans63.4-164.7177.200000114E4 Y64 Q70 A71E4-G68 WeakPolarHBondContact OE2-CA 3.38Å; Y64-G68 WeakPolarHBondContact O-CA 3.41Å; Y64-G68 PolarHBondContact O-N 3.17Å; G68-Q70 VanDerWaalsContact C-N 3.28Å; G68-Q70 PolarHBondContact O-N 3.23Å; G68-A71 PolarHBondContact O-N 3.43Å
69E74.5Confident68.1Low72 Ų7285.8 Ų85.834%0.33646%0.462SS..Hα-helixtrans-64-31.3-177.6-175.6176.8154.500113.1E4 Y7 Y64 A71 I72 K73E4-E69 PolarHBondContact OE2-N 3.49Å; Y7-E69 WeakPolarHBondContact OH-CG 3.24Å; Y64-E69 HydrophobicContact CE2-CB 4.46Å; E69-A71 PolarHBondContact O-N 2.88Å; E69-I72 PolarHBondContact O-N 3.11Å; E69-K73 PolarHBondContact O-N 2.8Å; E69-K73 IonicContact OE1-NZ 3.8Å; E69-K73 PolarHBondContact OE1-NZ 3.48Å
70Q70Confident66Low147 Ų14782.6 Ų82.669%0.68748%0.475SS*.Hα-helixtrans-65-38.2178.4-85.4179.8-22.300112.7G68 I72 K73 E74G68-Q70 VanDerWaalsContact C-N 3.28Å; G68-Q70 PolarHBondContact O-N 3.23Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 PolarHBondContact O-N 2.89Å; Q70-K73 PolarHBondContact O-N 2.87Å; Q70-K73 VanDerWaalsContact O-N 3.14Å; Q70-E74 PolarHBondContact O-N 2.76Å
71A67.8Low63.9Low27 Ų2781.5 Ų81.522%0.22348%0.479CS..Hα-helixtrans-65.5-29.5178.400000113.2G67 G68 E69 G75G67-A71 WeakPolarHBondContact O-CB 3.42Å; G67-A71 PolarHBondContact O-N 2.87Å; G68-A71 PolarHBondContact O-N 3.43Å; E69-A71 PolarHBondContact O-N 2.88Å; A71-G75 PolarHBondContact O-N 2.87Å; A71-G75 VanDerWaalsContact O-N 3.11Å
72I69.6Low61.7Low35 Ų3583.6 Ų83.618%0.17950%0.499CS..Hα-helixtrans-74.2-36.4174.4-63.6-64.2000111.2V54 K60 L63 Y64 E69 Q70 G76V54-I72 HydrophobicContact CG1-CD1 3.99Å; V54-I72 HydrophobicContact CG1-CG1 4.04Å; V54-I72 HydrophobicContact CG2-CG2 4.17Å; K60-I72 HydrophobicContact CB-CD1 4.41Å; L63-I72 HydrophobicContact CB-CD1 4.02Å; Y64-I72 HydrophobicContact CD2-CG1 4.43Å; E69-I72 PolarHBondContact O-N 3.11Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 PolarHBondContact O-N 2.89Å; I72-G76 PolarHBondContact O-N 2.88Å
73K64.5Low59.9Low145 Ų14584.8 Ų84.863%0.6351%0.511SS*.Hα-helixtrans-69.7-35.8176.6-84.4171171.6155.30112.9E69 Q70E69-K73 PolarHBondContact O-N 2.8Å; E69-K73 IonicContact OE1-NZ 3.8Å; E69-K73 PolarHBondContact OE1-NZ 3.48Å; Q70-K73 PolarHBondContact O-N 2.87Å; Q70-K73 VanDerWaalsContact O-N 3.14Å
74E53.8Low58.1Low166 Ų16685.7 Ų85.778%0.77651%0.514SS*.Hα-helixtrans-85.8-25.1-179-68.3-179.3175.900113.5Q70 G76Q70-E74 PolarHBondContact O-N 2.76Å; E74-G76 VanDerWaalsContact C-N 3.32Å
75G47.7Very low56.4Low68 Ų6890.1 Ų90.170%0.70154%0.538SS*.SBendtrans-82.7-3.2174.300000115A71A71-G75 PolarHBondContact O-N 2.87Å; A71-G75 VanDerWaalsContact O-N 3.11Å
76G46.1Very low54.8Low49 Ų4991.6 Ų91.651%0.50555%0.548SS..SBendtrans-93.3106-176.900000112.4I72 E74 N78I72-G76 PolarHBondContact O-N 2.88Å; E74-G76 VanDerWaalsContact C-N 3.32Å; G76-N78 PolarHBondContact O-N 2.93Å
77M36.5Very low53Low172 Ų17287.3 Ų87.385%0.84753%0.527SS*.  trans-43.3122.2172.4-166.1135.661.400112.4S79M77-S79 PolarHBondContact O-N 2.84Å; M77-S79 PolarHBondContact O-OG 3.48Å
78N37.5Very low52Low171 Ų17191.2 Ų91.291%0.91454%0.542SS*.  trans-33.385.2172.8-157.451.6000113.9G76G76-N78 PolarHBondContact O-N 2.93Å
79S39.8Very low50.8Low94 Ų9499.3 Ų99.366%0.65758%0.582SS**  trans-131.295.2173.736.10000107.5M77 A81M77-S79 PolarHBondContact O-N 2.84Å; M77-S79 PolarHBondContact O-OG 3.48Å; S79-A81 PolarHBondContact O-N 3.4Å
80G39.4Very low49.2Very low95 Ų95102.3 Ų102.398%0.97959%0.594SS**  trans-69.151.7172.300000112.5
81A39Very low48.2Very low47 Ų4799.5 Ų99.539%0.38858%0.579SS.*  trans-93.1135.7169.300000107.9S79 D85S79-A81 PolarHBondContact O-N 3.4Å; A81-D85 HydrophobicContact CB-CB 4.15Å
82S40.4Very low47.1Very low76 Ų76100.7 Ų100.753%0.53159%0.594SS.*  trans-60.2147.5179.4-74.10000109.8M84 D85S82-M84 PolarHBondContact O-N 2.94Å; S82-D85 WeakPolarHBondContact O-CB 3.46Å; S82-D85 PolarHBondContact O-N 2.73Å
83P44.2Very low45.9Very low116 Ų116101.6 Ų101.675%0.75361%0.612SS**Hα-helixtrans-54.4-16.6177.4-27.834.7000115.2
84M43.9Very low44.9Very low110 Ų11099 Ų9954%0.54263%0.627SS.*Hα-helixtrans-76.1-34.7171.2-65.1-64.2-96.100113.1S82 V86 F87 D88S82-M84 PolarHBondContact O-N 2.94Å; M84-V86 VanDerWaalsContact C-N 3.34Å; M84-V86 PolarHBondContact O-N 3.33Å; M84-F87 PolarHBondContact O-N 3.14Å; M84-D88 PolarHBondContact O-N 2.97Å
85D49.3Very low44.4Very low95 Ų9593.8 Ų93.851%0.50862%0.618SS.*Hα-helixtrans-69.3-32.7-179.8-76.6-37.3000112.2A81 S82 M89A81-D85 HydrophobicContact CB-CB 4.15Å; S82-D85 WeakPolarHBondContact O-CB 3.46Å; S82-D85 PolarHBondContact O-N 2.73Å; D85-M89 WeakPolarHBondContact O-CB 3.44Å; D85-M89 PolarHBondContact O-N 3.17Å; D85-M89 VanDerWaalsContact O-N 3.16Å
86V52Low44.1Very low61 Ų61102 Ų10237%0.3763%0.628SS.*Hα-helixtrans-75.3-33.8177.7-177.70000111M84 M89 F90M84-V86 VanDerWaalsContact C-N 3.34Å; M84-V86 PolarHBondContact O-N 3.33Å; V86-M89 PolarHBondContact O-N 2.94Å; V86-F90 PolarHBondContact O-N 2.81Å
87F43.7Very low44Very low61 Ų61108.7 Ų108.727%0.26865%0.648SS.*Hα-helixtrans-68.1-41.6174.5-171.3-97.8000111.8F45 S49 M84 M89 F90 F91F45-F87 HydrophobicContact CD1-CZ 4.48Å; F45-F87 AromaticContact CE1-CE1 3.98Å; F45-F87 HydrophobicContact CE1-CE1 3.98Å; F45-F87 AromaticContact CE1-CE2 3.91Å; F45-F87 HydrophobicContact CE1-CE2 3.91Å; F45-F87 AromaticContact CE1-CZ 3.34Å; F45-F87 HydrophobicContact CE1-CZ 3.34Å; F45-F87 HydrophobicContact CZ-CE2 4.33Å; F45-F87 AromaticContact CZ-CZ 3.72Å; F45-F87 HydrophobicContact CZ-CZ 3.72Å; S49-F87 WeakPolarHBondContact OG-CE2 3.47Å; M84-F87 PolarHBondContact O-N 3.14Å; F87-M89 VanDerWaalsContact C-N 3.29Å; F87-M89 PolarHBondContact O-N 3.15Å; F87-F90 PolarHBondContact O-N 3.01Å; F87-F91 HydrophobicContact CD1-CB 4.45Å; F87-F91 HydrophobicContact CD2-CB 4.48Å; F87-F91 AromaticContact CD2-CD2 3.8Å; F87-F91 HydrophobicContact CD2-CD2 3.8Å; F87-F91 HydrophobicContact CD2-CG 4.39Å; F87-F91 HydrophobicContact CE1-CB 4.02Å; F87-F91 HydrophobicContact CE2-CB 4.04Å; F87-F91 AromaticContact CE2-CD2 3.4Å; F87-F91 HydrophobicContact CE2-CD2 3.4Å; F87-F91 VanDerWaalsContact CE2-CD2 3.4Å; F87-F91 HydrophobicContact CE2-CE2 4.05Å; F87-F91 AromaticContact CE2-CG 3.74Å; F87-F91 HydrophobicContact CE2-CG 3.74Å; F87-F91 HydrophobicContact CZ-CB 3.77Å; F87-F91 AromaticContact CZ-CD2 3.98Å; F87-F91 HydrophobicContact CZ-CD2 3.98Å; F87-F91 AromaticContact CZ-CG 3.81Å; F87-F91 HydrophobicContact CZ-CG 3.81Å; F87-F91 PolarHBondContact O-N 2.51Å
88D53.9Low44.6Very low108 Ų108107.9 Ų107.958%0.57864%0.642SS**Hα-helixtrans-65.6-31.3174.4-80.2-24.4000112.6M84 F90 G92M84-D88 PolarHBondContact O-N 2.97Å; D88-F90 VanDerWaalsContact C-N 3.35Å; D88-F90 PolarHBondContact O-N 3.21Å; D88-G92 WeakPolarHBondContact O-CA 3.22Å; D88-G92 PolarHBondContact O-N 3.3Å
89M53.2Low45.2Very low171 Ų171110.4 Ų110.484%0.84264%0.639SS**Hα-helixtrans-73.3-23.7178-157.3178.9-158.700113.7D85 V86 F87D85-M89 WeakPolarHBondContact O-CB 3.44Å; D85-M89 PolarHBondContact O-N 3.17Å; D85-M89 VanDerWaalsContact O-N 3.16Å; V86-M89 PolarHBondContact O-N 2.94Å; F87-M89 VanDerWaalsContact C-N 3.29Å; F87-M89 PolarHBondContact O-N 3.15Å
90F41.5Very low46.1Very low135 Ų135113.5 Ų113.559%0.59264%0.643SS**Hα-helixtrans-114.2-35.4-172.2-154.7-97.4000114.2V86 F87 D88V86-F90 PolarHBondContact O-N 2.81Å; F87-F90 PolarHBondContact O-N 3.01Å; D88-F90 VanDerWaalsContact C-N 3.35Å; D88-F90 PolarHBondContact O-N 3.21Å
91F49.4Very low47.5Very low87 Ų87117.3 Ų117.338%0.38263%0.628SS.*Hα-helixtrans-96.8-17.3175.6-85.1-84.4000113.5Y26 Y52 F87 G93Y26-F91 AromaticContact CE1-CE1 3.53Å; Y26-F91 HydrophobicContact CE1-CE1 3.53Å; Y26-F91 AromaticContact CE1-CZ 3.43Å; Y26-F91 HydrophobicContact CE1-CZ 3.43Å; Y26-F91 VanDerWaalsContact CE1-CZ 3.43Å; Y26-F91 HydrophobicContact CE2-CZ 4.4Å; Y26-F91 AromaticContact CZ-CE1 3.66Å; Y26-F91 AromaticContact CZ-CZ 3.33Å; Y26-F91 WeakPolarHBondContact OH-CE1 3.37Å; Y26-F91 WeakPolarHBondContact OH-CZ 3.49Å; Y52-F91 HydrophobicContact CD1-CZ 4.11Å; Y52-F91 HydrophobicContact CE1-CZ 4.27Å; F87-F91 HydrophobicContact CD1-CB 4.45Å; F87-F91 HydrophobicContact CD2-CB 4.48Å; F87-F91 AromaticContact CD2-CD2 3.8Å; F87-F91 HydrophobicContact CD2-CD2 3.8Å; F87-F91 HydrophobicContact CD2-CG 4.39Å; F87-F91 HydrophobicContact CE1-CB 4.02Å; F87-F91 HydrophobicContact CE2-CB 4.04Å; F87-F91 AromaticContact CE2-CD2 3.4Å; F87-F91 HydrophobicContact CE2-CD2 3.4Å; F87-F91 VanDerWaalsContact CE2-CD2 3.4Å; F87-F91 HydrophobicContact CE2-CE2 4.05Å; F87-F91 AromaticContact CE2-CG 3.74Å; F87-F91 HydrophobicContact CE2-CG 3.74Å; F87-F91 HydrophobicContact CZ-CB 3.77Å; F87-F91 AromaticContact CZ-CD2 3.98Å; F87-F91 HydrophobicContact CZ-CD2 3.98Å; F87-F91 AromaticContact CZ-CG 3.81Å; F87-F91 HydrophobicContact CZ-CG 3.81Å; F87-F91 PolarHBondContact O-N 2.51Å; F91-G93 VanDerWaalsContact C-N 3.26Å; F91-G93 PolarHBondContact O-N 3.21Å; F91-G93 VanDerWaalsContact O-N 3.11Å
92G44.7Very low49.4Very low52 Ų52119.6 Ų119.654%0.53663%0.626SS.*SBendtrans-82.960.4169.200000112.6D88D88-G92 WeakPolarHBondContact O-CA 3.22Å; D88-G92 PolarHBondContact O-N 3.3Å
93G42.9Very low51.2Low54 Ų54116.4 Ų116.456%0.55761%0.606SS**  trans55.9103.2158.800000117F91 G95F91-G93 VanDerWaalsContact C-N 3.26Å; F91-G93 PolarHBondContact O-N 3.21Å; F91-G93 VanDerWaalsContact O-N 3.11Å; G93-G95 PolarHBondContact O-N 2.96Å
94G43.1Very low53.1Low91 Ų91120 Ų12094%0.93861%0.61SS**  trans-63.135.4157.300000114.7
95G43.5Very low55.3Low57 Ų57119 Ų11959%0.58861%0.606SS**SBendtrans-65.6134.4151.900000106.5G93 M97G93-G95 PolarHBondContact O-N 2.96Å; G95-M97 PolarHBondContact O-N 2.95Å
96R42.8Very low57.2Low241 Ų241116.7 Ų116.791%0.90960%0.596SS**  trans-38.1117158.1-70.9169173.6164.3-2.6106.1Q98R96-Q98 PolarHBondContact O-N 3.27Å
97M43.9Very low59.1Low188 Ų188118.4 Ų118.493%0.92661%0.606SS**  trans-60.784.2154-100.8-171.6174.300103.7G95 R99G95-M97 PolarHBondContact O-N 2.95Å; M97-R99 PolarHBondContact O-N 2.85Å
98Q48Very low61.5Low156 Ų156118.7 Ų118.773%0.72961%0.608SS**  trans-54.388.9147.8-176.1171.6-2.700101.2R96 E100R96-Q98 PolarHBondContact O-N 3.27Å; Q98-E100 VanDerWaalsContact C-N 3.27Å; Q98-E100 PolarHBondContact O-N 2.7Å
99R51.4Low63.4Low223 Ų223120.9 Ų120.984%0.84262%0.615SS**  trans-40.8112.2159.2-90.3-177.2172178.8-2.4102.4M97 R101M97-R99 PolarHBondContact O-N 2.85Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R99-R101 PolarHBondContact O-N 2.88Å
100E58.4Low65.4Low159 Ų159113.5 Ų113.574%0.74358%0.579SS**  trans-47.7114.3177.9-73.4179.7135.900103.6Q98 R102Q98-E100 VanDerWaalsContact C-N 3.27Å; Q98-E100 PolarHBondContact O-N 2.7Å; E100-R102 HydrophobicContact CB-CB 4.14Å; E100-R102 PolarHBondContact O-N 3.07Å
101R68.6Low67.9Low176 Ų176108 Ų10866%0.66456%0.559SS**  trans-7549.6179.6-70.4-175.1175.3-175.6-2106.5R99 L233 E234R99-R101 VanDerWaalsContact C-N 3.35Å; R99-R101 PolarHBondContact O-N 2.88Å; R101-L233 HydrophobicContact CB-CD2 4.14Å; R101-L233 CarbonylContact O-C 3.45Å; R101-E234 WeakPolarHBondContact O-CA 3.3Å; R101-E234 VanDerWaalsContact O-CB 3.27Å; R101-E234 WeakPolarHBondContact O-CB 3.35Å; R101-E234 PolarHBondContact O-N 2.87Å
102R77.5Confident70.1Confident94 Ų94103.8 Ų103.836%0.35554%0.541SS..BIsolated β-bridgetrans-129.2133.5-167.9-158.3175.9-172.7-178.23.3108.3E100 E234 P235 D237E100-R102 HydrophobicContact CB-CB 4.14Å; E100-R102 PolarHBondContact O-N 3.07Å; R102-E234 CarbonylContact C-O 3.56Å; R102-E234 VanDerWaalsContact CA-O 3.26Å; R102-E234 WeakPolarHBondContact CA-O 3.45Å; R102-E234 HydrophobicContact CG-CB 4.43Å; R102-P235 WeakPolarHBondContact CG-O 3.35Å; R102-P235 PolarHBondContact NE-O 3.47Å; R102-D237 IonicContact CZ-OD1 3.46Å; R102-D237 IonicContact CZ-OD2 2.69Å; R102-D237 IonicContact NH1-OD2 3.79Å; R102-D237 IonicContact NH2-OD1 2.81Å; R102-D237 PolarHBondContact NH2-OD1 3.2Å; R102-D237 IonicContact NH2-OD2 2.75Å; R102-D237 PolarHBondContact NH2-OD2 2.95Å
103G78.6Confident72.5Confident10 Ų10103.2 Ų103.210%0.10353%0.527CS..PPolyproline II helixtrans-62.4161174.500000110.8E234 G236G103-E234 PolarHBondContact N-O 3.38Å; G103-G236 VanDerWaalsContact O-CA 3.26Å; G103-G236 WeakPolarHBondContact O-CA 3.34Å
104K85.1Confident75Confident191 Ų191100.7 Ų100.783%0.8350%0.501SS*.PPolyproline II helixtrans-65.4140.1178.4-63.5178.7-178.5178.10110.2
105N88.9Confident77.4Confident89 Ų8999.4 Ų99.448%0.47647%0.471SS..PPolyproline II helixtrans-70.3143.9172.6-63.4-20.1000110.3D237N105-D237 CarbonylContact C-O 3.55Å; N105-D237 WeakPolarHBondContact CA-O 3.48Å; N105-D237 WeakPolarHBondContact CB-O 3.32Å; N105-D237 PolarHBondContact OD1-N 3.23Å
106V89.9Confident79.8Confident47 Ų4798.7 Ų98.729%0.28545%0.452SS..EExtended strand (participates in β ladder)trans-107.5127.4177.6-176.10000108.6H108 D237 V238 V239V106-H108 WeakPolarHBondContact CG1-NE2 3.43Å; V106-D237 PolarHBondContact N-O 3.1Å; V106-V238 HydrophobicContact CB-CG2 4.45Å; V106-V238 CarbonylContact O-C 3.48Å; V106-V238 WeakPolarHBondContact O-CA 3.28Å; V106-V239 PolarHBondContact O-N 2.86Å
107V92.7Very high82.2Confident96 Ų9687.2 Ų87.258%0.58241%0.409SS*.EExtended strand (participates in β ladder)trans-103.1126.2179-1750000109.5V239 V241V107-V239 CarbonylContact C-O 3.58Å; V107-V239 VanDerWaalsContact CA-O 3.3Å; V107-V239 WeakPolarHBondContact CA-O 3.42Å; V107-V239 HydrophobicContact CG2-CB 4.48Å; V107-V241 HydrophobicContact CG1-CG2 3.65Å
108H92.6Very high84.5Confident68 Ų6878.6 Ų78.632%0.31537%0.366SS..EExtended strand (participates in β ladder)trans-120.7128.6175.3-79.7-73.8000110.7V106 L125 L127 V239 I240 V241V106-H108 WeakPolarHBondContact CG1-NE2 3.43Å; H108-L125 HydrophobicContact CB-CD2 4.35Å; H108-L127 WeakPolarHBondContact CD2-CD2 3.46Å; H108-L127 WeakPolarHBondContact NE2-CD2 3.4Å; H108-V239 PolarHBondContact N-O 2.69Å; H108-I240 CarbonylContact O-C 3.44Å; H108-I240 VanDerWaalsContact O-CA 3.28Å; H108-I240 WeakPolarHBondContact O-CA 3.28Å; H108-V241 PolarHBondContact O-N 2.71Å
109Q94.6Very high86.7Confident154 Ų15474.4 Ų74.472%0.7235%0.348SS*.EExtended strand (participates in β ladder)trans-85.6125.5171.4-71.2173.6-22.300109.4V241Q109-V241 WeakPolarHBondContact CA-O 3.45Å
110L94.8Very high88.6Confident16 Ų1665.1 Ų65.18%0.08432%0.322CS..EExtended strand (participates in β ladder)trans-109.2108.6175.5-179.866.7000108.6V112 R123 V209 I211 I240 V241 L242 D243L110-V112 HydrophobicContact CD2-CG2 4.24Å; L110-V112 HydrophobicContact CG-CG2 4.06Å; L110-V112 WeakPolarHBondContact O-CG2 3.38Å; L110-V112 PolarHBondContact O-N 3.05Å; L110-R123 HydrophobicContact CD2-CB 4.41Å; L110-V209 HydrophobicContact CD2-CB 4.14Å; L110-V209 HydrophobicContact CD2-CG1 3.91Å; L110-V209 HydrophobicContact CD2-CG2 4.37Å; L110-I211 HydrophobicContact CD2-CD1 4.36Å; L110-I240 HydrophobicContact CB-CG2 3.61Å; L110-I240 HydrophobicContact CD2-CG2 4.22Å; L110-V241 PolarHBondContact N-O 2.9Å; L110-L242 HydrophobicContact CB-CD2 4.49Å; L110-L242 HydrophobicContact CD2-CD2 4.18Å; L110-D243 PolarHBondContact O-N 3.49Å
111G94.8Very high90.3Very high18 Ų1858.9 Ų58.919%0.18630%0.296CS..EExtended strand (participates in β ladder)trans-71.5112.1176.800000111.9R123 D243G111-R123 PolarHBondContact O-NH1 2.86Å; G111-D243 CarbonylContact C-O 3.6Å; G111-D243 VanDerWaalsContact CA-O 3.28Å; G111-D243 WeakPolarHBondContact CA-O 3.32Å
112V95.4Very high91.5Very high0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-114.1141.8-176.7-1770000109.8L110 E116 M117 I211 L242 D243 K245L110-V112 HydrophobicContact CD2-CG2 4.24Å; L110-V112 HydrophobicContact CG-CG2 4.06Å; L110-V112 WeakPolarHBondContact O-CG2 3.38Å; L110-V112 PolarHBondContact O-N 3.05Å; V112-E116 HydrophobicContact CG1-CB 3.65Å; V112-E116 WeakPolarHBondContact CG1-OE2 3.4Å; V112-M117 HydrophobicContact CB-CG 4.39Å; V112-M117 HydrophobicContact CG1-CG 3.58Å; V112-I211 HydrophobicContact CB-CD1 4.46Å; V112-I211 HydrophobicContact CG1-CD1 3.87Å; V112-I211 HydrophobicContact CG1-CG2 4.25Å; V112-I211 HydrophobicContact CG2-CD1 3.62Å; V112-I211 HydrophobicContact CG2-CG1 4.44Å; V112-L242 HydrophobicContact CG2-CD2 3.97Å; V112-D243 PolarHBondContact N-O 3.15Å; V112-K245 PolarHBondContact O-N 2.87Å
113T95.4Very high92.3Very high40 Ų4053 Ų5325%0.24528%0.283CS..  trans-86.1159.2176.275.90000111.8E115 E116 M117 K245T113-E115 VanDerWaalsContact C-N 3.26Å; T113-E115 WeakPolarHBondContact CB-OE2 3.36Å; T113-E115 PolarHBondContact O-N 3.23Å; T113-E115 PolarHBondContact OG1-OE2 3.35Å; T113-E116 PolarHBondContact N-OE2 2.96Å; T113-E116 VanDerWaalsContact N-OE2 3.12Å; T113-E116 WeakPolarHBondContact O-CB 3.33Å; T113-E116 PolarHBondContact O-N 3.07Å; T113-E116 VanDerWaalsContact O-N 3.14Å; T113-E116 WeakPolarHBondContact OG1-CG 3Å; T113-M117 WeakPolarHBondContact O-CG 3.22Å; T113-M117 PolarHBondContact O-N 3.3Å; T113-M117 VanDerWaalsContact O-N 3.16Å; T113-K245 HydrophobicContact CG2-CD 4.34Å
114L94.4Very high93Very high1 Ų159.5 Ų59.51%0.00531%0.308CS..Hα-helixtrans-62.1-34.3-178.8-168.364.6000112.3M117 Y118 H247 F250 R252 L257 L279 M307L114-M117 PolarHBondContact O-N 3.46Å; L114-Y118 WeakPolarHBondContact O-CB 3.38Å; L114-Y118 PolarHBondContact O-N 3.16Å; L114-H247 HydrophobicContact CB-CB 4.26Å; L114-H247 HydrophobicContact CD2-CB 4.23Å; L114-F250 HydrophobicContact CD2-CB 3.77Å; L114-R252 HydrophobicContact CD1-CB 3.91Å; L114-R252 HydrophobicContact CD1-CG 4.38Å; L114-L257 HydrophobicContact CD2-CD2 3.87Å; L114-L279 HydrophobicContact CB-CD2 4.43Å; L114-L279 HydrophobicContact CD2-CD1 3.83Å; L114-L279 HydrophobicContact CD2-CD2 4.13Å; L114-L279 HydrophobicContact CG-CD1 3.71Å; L114-L279 HydrophobicContact CG-CD2 4.27Å; L114-M307 HydrophobicContact CD1-CE 3.86Å; L114-M307 HydrophobicContact CD1-SD 3.75Å; L114-M307 HydrophobicContact CG-SD 4.22Å
115E93.7Very high93.3Very high64 Ų6452.2 Ų52.230%0.29928%0.278SS..Hα-helixtrans-65.7-36.7175.9-52.782.3172.500112.4T113 Y118 N119 H247 L279T113-E115 VanDerWaalsContact C-N 3.26Å; T113-E115 WeakPolarHBondContact CB-OE2 3.36Å; T113-E115 PolarHBondContact O-N 3.23Å; T113-E115 PolarHBondContact OG1-OE2 3.35Å; E115-Y118 PolarHBondContact O-N 3.15Å; E115-N119 WeakPolarHBondContact O-CB 3.32Å; E115-N119 PolarHBondContact O-N 3.28Å; E115-N119 PolarHBondContact O-ND2 2.98Å; E115-H247 IonicContact OE1-CD2 2.69Å; E115-H247 PolarHBondContact OE1-CD2 2.98Å; E115-H247 IonicContact OE1-NE2 3.16Å; E115-H247 PolarHBondContact OE1-NE2 3.47Å; E115-L279 HydrophobicContact CG-CD2 3.89Å
116E94.1Very high93.4Very high41 Ų4150 Ų5019%0.19228%0.276CS..Hα-helixtrans-68.9-37.7176.8-73.6177.1153.700111.3V112 T113 Y118 G120 R123V112-E116 HydrophobicContact CG1-CB 3.65Å; V112-E116 WeakPolarHBondContact CG1-OE2 3.4Å; T113-E116 PolarHBondContact N-OE2 2.96Å; T113-E116 VanDerWaalsContact N-OE2 3.12Å; T113-E116 WeakPolarHBondContact O-CB 3.33Å; T113-E116 PolarHBondContact O-N 3.07Å; T113-E116 VanDerWaalsContact O-N 3.14Å; T113-E116 WeakPolarHBondContact OG1-CG 3Å; E116-Y118 VanDerWaalsContact C-N 3.32Å; E116-G120 CarbonylContact O-C 3.58Å; E116-G120 WeakPolarHBondContact O-CA 3.3Å; E116-G120 PolarHBondContact O-N 3.1Å; E116-R123 VanDerWaalsContact CD-NE 3.35Å; E116-R123 IonicContact OE1-CZ 3.27Å; E116-R123 IonicContact OE1-NE 3.38Å; E116-R123 PolarHBondContact OE1-NE 2.77Å; E116-R123 IonicContact OE1-NH2 3.48Å; E116-R123 PolarHBondContact OE1-NH2 2.98Å; E116-R123 IonicContact OE2-CZ 3.95Å; E116-R123 IonicContact OE2-NE 2.86Å; E116-R123 PolarHBondContact OE2-NE 3.5Å; E116-R123 VanDerWaalsContact OE2-NE 3.13Å; E116-R123 IonicContact OE2-NH2 3.69Å; E116-R123 PolarHBondContact OE2-NH2 3.47Å
117M93Very high93.4Very high0 Ų048.5 Ų48.50%027%0.267CS..Hα-helixtrans-71.2-29174-58.4-177.49900112.2V112 T113 L114 K213 G214 M215 L242 Q244 M307V112-M117 HydrophobicContact CB-CG 4.39Å; V112-M117 HydrophobicContact CG1-CG 3.58Å; T113-M117 WeakPolarHBondContact O-CG 3.22Å; T113-M117 PolarHBondContact O-N 3.3Å; T113-M117 VanDerWaalsContact O-N 3.16Å; L114-M117 PolarHBondContact O-N 3.46Å; M117-K213 WeakPolarHBondContact O-CA 3.44Å; M117-G214 PolarHBondContact O-N 3.42Å; M117-M215 HydrophobicContact CE-CB 4.48Å; M117-M215 WeakPolarHBondContact CE-O 3.47Å; M117-L242 HydrophobicContact CE-CD1 4.44Å; M117-Q244 HydrophobicContact SD-CB 4.01Å; M117-Q244 HydrophobicContact SD-CG 3.76Å; M117-M307 HydrophobicContact CB-CE 3.9Å
118Y93.8Very high93.3Very high8 Ų850.8 Ų50.83%0.03127%0.271CS..Hα-helixtrans-76.3-50.9177.9-170.5-81.1000112.1L114 E115 E116 L279 D280 G306 M307 P308 R316L114-Y118 WeakPolarHBondContact O-CB 3.38Å; L114-Y118 PolarHBondContact O-N 3.16Å; E115-Y118 PolarHBondContact O-N 3.15Å; E116-Y118 VanDerWaalsContact C-N 3.32Å; Y118-L279 HydrophobicContact CD1-CB 4.05Å; Y118-L279 HydrophobicContact CD2-CB 3.9Å; Y118-L279 HydrophobicContact CD2-CD1 3.56Å; Y118-L279 HydrophobicContact CD2-CG 4.34Å; Y118-L279 HydrophobicContact CE2-CB 4.42Å; Y118-L279 HydrophobicContact CE2-CD1 4.31Å; Y118-L279 HydrophobicContact CG-CB 3.69Å; Y118-L279 HydrophobicContact CG-CD1 3.98Å; Y118-D280 HydrophobicContact CD1-CB 4.23Å; Y118-D280 HydrophobicContact CE1-CB 3.75Å; Y118-G306 VanDerWaalsContact CE2-O 3.28Å; Y118-G306 WeakPolarHBondContact CE2-O 3.07Å; Y118-M307 HydrophobicContact CD2-SD 3.84Å; Y118-P308 HydrophobicContact CD2-CG 4.23Å; Y118-P308 HydrophobicContact CE2-CG 4.31Å; Y118-P308 HydrophobicContact CG-CG 4.39Å; Y118-R316 VanDerWaalsContact OH-CZ 3.27Å; Y118-R316 PolarHBondContact OH-NH1 2.89Å; Y118-R316 VanDerWaalsContact OH-NH1 3.16Å
119N92.2Very high93.1Very high67 Ų6748.8 Ų48.836%0.35826%0.261SS..Hα-helixtrans-86.4-17.8-174.8-64.4-59.8000113.1E115 K213 L279E115-N119 WeakPolarHBondContact O-CB 3.32Å; E115-N119 PolarHBondContact O-N 3.28Å; E115-N119 PolarHBondContact O-ND2 2.98Å; N119-K213 WeakPolarHBondContact O-CE 3.43Å; N119-L279 PolarHBondContact ND2-O 3.47Å
120G92.4Very high92.9Very high28 Ų2843.3 Ų43.329%0.28924%0.237SC..  trans76.6141.2-168.300000110.9E116 I211E116-G120 CarbonylContact O-C 3.58Å; E116-G120 WeakPolarHBondContact O-CA 3.3Å; E116-G120 PolarHBondContact O-N 3.1Å; G120-I211 CarbonylContact C-O 3.52Å; G120-I211 VanDerWaalsContact CA-O 3.22Å; G120-I211 WeakPolarHBondContact CA-O 3.17Å
121S94.1Very high92.7Very high29 Ų2943.4 Ų43.420%0.20324%0.238CC..EExtended strand (participates in β ladder)trans-152.1163.4179.567.50000111.1I211S121-I211 PolarHBondContact N-O 3.32Å; S121-I211 WeakPolarHBondContact O-CA 3.4Å; S121-I211 WeakPolarHBondContact O-CB 3.33Å; S121-I211 PolarHBondContact O-N 3.31Å
122T94.3Very high92.5Very high78 Ų7845 Ų4548%0.47924%0.242SC..EExtended strand (participates in β ladder)trans-117.9122.1170.8-58.80000108.4E208 V209 H210T122-E208 HydrophobicContact CG2-CB 4.27Å; T122-V209 WeakPolarHBondContact CA-O 3.32Å; T122-H210 WeakPolarHBondContact CG2-ND1 3.29Å; T122-H210 PolarHBondContact OG1-ND1 3.37Å
123R92.9Very high92.2Very high68 Ų6845 Ų4526%0.25724%0.242SC..EExtended strand (participates in β ladder)trans-111.1136179.5-78.6-163.4164.4-165.66.1111.2L110 G111 E116 V209 I211L110-R123 HydrophobicContact CD2-CB 4.41Å; G111-R123 PolarHBondContact O-NH1 2.86Å; E116-R123 VanDerWaalsContact CD-NE 3.35Å; E116-R123 IonicContact OE1-CZ 3.27Å; E116-R123 IonicContact OE1-NE 3.38Å; E116-R123 PolarHBondContact OE1-NE 2.77Å; E116-R123 IonicContact OE1-NH2 3.48Å; E116-R123 PolarHBondContact OE1-NH2 2.98Å; E116-R123 IonicContact OE2-CZ 3.95Å; E116-R123 IonicContact OE2-NE 2.86Å; E116-R123 PolarHBondContact OE2-NE 3.5Å; E116-R123 VanDerWaalsContact OE2-NE 3.13Å; E116-R123 IonicContact OE2-NH2 3.69Å; E116-R123 PolarHBondContact OE2-NH2 3.47Å; R123-V209 PolarHBondContact N-O 2.73Å; R123-V209 PolarHBondContact O-N 3.13Å; R123-I211 HydrophobicContact CB-CD1 4.39Å; R123-I211 HydrophobicContact CG-CD1 4.07Å
124K93.5Very high91.9Very high146 Ų14649.4 Ų49.464%0.63526%0.26SS*.EExtended strand (participates in β ladder)trans-94.8113.1177.2-56.8-162.2-171.2-141.40109.5I206 L207 E208K124-I206 HydrophobicContact CB-CG2 3.77Å; K124-I206 HydrophobicContact CD-CG2 4.31Å; K124-I206 HydrophobicContact CG-CG2 4.44Å; K124-L207 CarbonylContact C-O 3.58Å; K124-L207 WeakPolarHBondContact CA-O 3.5Å; K124-E208 WeakPolarHBondContact CE-OE1 3.4Å; K124-E208 HydrophobicContact CG-CG 4.32Å; K124-E208 IonicContact NZ-OE1 2.9Å; K124-E208 PolarHBondContact NZ-OE1 2.98Å
125L91.8Very high91.5Very high38 Ų3856.5 Ų56.520%0.19929%0.291CS..EExtended strand (participates in β ladder)trans-100.9118.3176.4-174.566.5000110H108 L127 I206 L207 V209 I240H108-L125 HydrophobicContact CB-CD2 4.35Å; L125-L127 HydrophobicContact CD2-CD1 4.36Å; L125-L127 HydrophobicContact CD2-CD2 3.96Å; L125-L127 HydrophobicContact CD2-CG 4.15Å; L125-L127 HydrophobicContact CG-CD2 4.25Å; L125-L127 HydrophobicContact CG-CG 4.19Å; L125-I206 WeakPolarHBondContact O-CA 3.46Å; L125-L207 PolarHBondContact N-O 3.19Å; L125-L207 PolarHBondContact O-N 3.13Å; L125-V209 HydrophobicContact CB-CG2 4.25Å; L125-I240 HydrophobicContact CD2-CD1 3.68Å; L125-I240 HydrophobicContact CD2-CG1 4.36Å
126G90.5Very high91.1Very high43 Ų4353.8 Ų53.844%0.44328%0.279SS..EExtended strand (participates in β ladder)trans-83.6114.2173.300000111.1
127L90.7Very high90.7Very high15 Ų1557 Ų578%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-108.6141.9177.2-67.5168000110.7H108 L125 K204 K205 L207 V238H108-L127 WeakPolarHBondContact CD2-CD2 3.46Å; H108-L127 WeakPolarHBondContact NE2-CD2 3.4Å; L125-L127 HydrophobicContact CD2-CD1 4.36Å; L125-L127 HydrophobicContact CD2-CD2 3.96Å; L125-L127 HydrophobicContact CD2-CG 4.15Å; L125-L127 HydrophobicContact CG-CD2 4.25Å; L125-L127 HydrophobicContact CG-CG 4.19Å; L127-K204 CarbonylContact O-C 3.56Å; L127-K204 WeakPolarHBondContact O-CA 3.39Å; L127-K205 PolarHBondContact N-O 2.88Å; L127-K205 PolarHBondContact O-N 3.01Å; L127-L207 HydrophobicContact CD1-CD1 3.31Å; L127-L207 HydrophobicContact CD1-CG 3.83Å; L127-V238 HydrophobicContact CD1-CG1 3.85Å; L127-V238 HydrophobicContact CD1-CG2 4.38Å
128Q89.6Confident90.2Very high145 Ų14557.4 Ų57.468%0.67830%0.301SS*.EExtended strand (participates in β ladder)trans-99.9121.3168-67.2-175.4-700107.6
129K90Very high89.8Confident25 Ų2560.6 Ų60.611%0.10931%0.314CS..EExtended strand (participates in β ladder)trans-125.8149.2176.770.3176.9-170.1174.60111.7V131 R202 K203 E226 D228K129-V131 HydrophobicContact CD-CG2 4.39Å; K129-V131 HydrophobicContact CG-CG2 3.87Å; K129-R202 WeakPolarHBondContact O-CA 3.18Å; K129-K203 PolarHBondContact N-O 3.42Å; K129-K203 PolarHBondContact O-N 3.32Å; K129-E226 WeakPolarHBondContact CD-O 3.06Å; K129-E226 IonicContact NZ-OE2 2.59Å; K129-E226 PolarHBondContact NZ-OE2 2.83Å; K129-D228 WeakPolarHBondContact CA-OD1 3.49Å
130N89.9Confident89.3Confident40 Ų4057.4 Ų57.421%0.21430%0.297CS..EExtended strand (participates in β ladder)trans-80125.2170.1-63.1-55000108.9L200 R202 D228 Q229N130-L200 HydrophobicContact CB-CD1 4.38Å; N130-R202 VanDerWaalsContact OD1-CG 3.25Å; N130-R202 WeakPolarHBondContact OD1-CG 3.34Å; N130-D228 HydrophobicContact CB-CB 4.33Å; N130-D228 PolarHBondContact N-OD1 2.93Å; N130-D228 PolarHBondContact ND2-OD2 2.89Å; N130-Q229 WeakPolarHBondContact O-CB 3.39Å; N130-Q229 PolarHBondContact O-N 3.2Å
131V91.1Very high89Confident18 Ų1856.4 Ų56.411%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-120.3146.1178.8-164.10000108K129 C133 L200 E201 K203K129-V131 HydrophobicContact CD-CG2 4.39Å; K129-V131 HydrophobicContact CG-CG2 3.87Å; V131-C133 PolarHBondContact O-N 3.09Å; V131-L200 CarbonylContact O-C 3.59Å; V131-L200 WeakPolarHBondContact O-CA 2.91Å; V131-E201 PolarHBondContact N-O 2.83Å; V131-E201 PolarHBondContact O-N 3.22Å; V131-K203 HydrophobicContact CB-CD 4.32Å; V131-K203 HydrophobicContact CB-CG 4.47Å; V131-K203 HydrophobicContact CG2-CB 3.89Å; V131-K203 HydrophobicContact CG2-CD 4.07Å; V131-K203 HydrophobicContact CG2-CG 4.03Å
132I90.2Very high88.6Confident50 Ų5062 Ų6226%0.25631%0.307SS..EExtended strand (participates in β ladder)trans-57.9132.6174.4-66.5170.7000109.4E134 G138 L200 Q229I132-E134 PolarHBondContact O-N 3.43Å; I132-G138 VanDerWaalsContact CG2-N 3.27Å; I132-L200 HydrophobicContact CG1-CD2 4.15Å; I132-Q229 HydrophobicContact CG1-CB 4.07Å
133C89.3Confident87.9Confident0 Ų065.2 Ų65.20%032%0.315CS..  trans-61111.2179170.10000110.2V131 K135 C136 D137 G138 C192 C195 K199 E201V131-C133 PolarHBondContact O-N 3.09Å; C133-K135 PolarHBondContact O-N 2.77Å; C133-C136 VanDerWaalsContact CB-SG 3.57Å; C133-C136 PolarHBondContact O-N 3.41Å; C133-C136 PolarHBondContact SG-SG 3.24Å; C133-D137 WeakPolarHBondContact O-CA 3.41Å; C133-D137 PolarHBondContact O-N 2.99Å; C133-G138 PolarHBondContact O-N 2.89Å; C133-C192 VanDerWaalsContact SG-SG 3.67Å; C133-C195 HydrophobicContact CB-CB 3.96Å; C133-K199 VanDerWaalsContact CB-O 3.25Å; C133-K199 WeakPolarHBondContact CB-O 3.29Å; C133-K199 PolarHBondContact N-O 2.7Å; C133-E201 HydrophobicContact CB-CG 4.2Å; C133-E201 WeakPolarHBondContact CB-OE1 3.4Å; C133-E201 PolarHBondContact SG-OE1 3.21Å
134E87.7Confident87.3Confident134 Ų13465.4 Ų65.463%0.62634%0.338SS*.THydrogen-bonded Turntrans-60.8-28.2-178.6-70.9165.2-178.300112.6I132 K203I132-E134 PolarHBondContact O-N 3.43Å; E134-K203 IonicContact OE1-NZ 3.86Å; E134-K203 PolarHBondContact OE1-NZ 3.22Å; E134-K203 IonicContact OE2-NZ 3.73Å; E134-K203 PolarHBondContact OE2-NZ 3.15Å
135K87.1Confident86.8Confident149 Ų14959.3 Ų59.365%0.64832%0.315SS*.THydrogen-bonded Turntrans-77.3-20.8-179.3-65.8-171.2-1721610114C133 N194C133-K135 PolarHBondContact O-N 2.77Å; K135-N194 HydrophobicContact CD-CB 3.99Å; K135-N194 PolarHBondContact NZ-OD1 3.29Å
136C85.2Confident86.3Confident8 Ų860.2 Ų60.25%0.05432%0.32CS..THydrogen-bonded Turntrans-129.17-178.472.40000113.8C133 G138 Y139 G140 C192C133-C136 VanDerWaalsContact CB-SG 3.57Å; C133-C136 PolarHBondContact O-N 3.41Å; C133-C136 PolarHBondContact SG-SG 3.24Å; C136-G138 PolarHBondContact O-N 3.03Å; C136-G138 VanDerWaalsContact O-N 3.14Å; C136-Y139 WeakPolarHBondContact O-CB 3.28Å; C136-Y139 PolarHBondContact O-N 3.35Å; C136-G140 PolarHBondContact SG-N 3.26Å; C136-C192 HydrophobicContact CB-CB 4.01Å
137D84.9Confident86.1Confident108 Ų10862.4 Ų62.458%0.57832%0.318SS*.THydrogen-bonded Turntrans49.635.6-177.1-51.5-41.9000113.3C133 Y139 K143C133-D137 WeakPolarHBondContact O-CA 3.41Å; C133-D137 PolarHBondContact O-N 2.99Å; D137-Y139 PolarHBondContact O-N 2.94Å; D137-K143 IonicContact OD2-NZ 3.85Å; D137-K143 PolarHBondContact OD2-NZ 3.3Å
138G83.4Confident85.8Confident8 Ų869.3 Ų69.38%0.08235%0.348CS..THydrogen-bonded Turntrans73.310.6-17700000115I132 C133 C136 K199I132-G138 VanDerWaalsContact CG2-N 3.27Å; C133-G138 PolarHBondContact O-N 2.89Å; C136-G138 PolarHBondContact O-N 3.03Å; C136-G138 VanDerWaalsContact O-N 3.14Å; G138-K199 WeakPolarHBondContact O-CB 3.48Å; G138-K199 VanDerWaalsContact O-CD 3.26Å; G138-K199 WeakPolarHBondContact O-CD 3.02Å; G138-K199 WeakPolarHBondContact O-CG 3.32Å
139Y84.1Confident85.6Confident75 Ų7562.5 Ų62.529%0.29432%0.316SS..SBendtrans-75.6-34.5175.9-165.3-106.2000112.2C136 D137 G141 K142 K143 G144 F186 K199C136-Y139 WeakPolarHBondContact O-CB 3.28Å; C136-Y139 PolarHBondContact O-N 3.35Å; D137-Y139 PolarHBondContact O-N 2.94Å; Y139-G141 WeakPolarHBondContact CD1-O 3.45Å; Y139-K142 WeakPolarHBondContact CE1-O 3.39Å; Y139-K143 HydrophobicContact CD1-CG 4.34Å; Y139-K143 HydrophobicContact CG-CG 4.5Å; Y139-G144 PolarHBondContact OH-N 2.94Å; Y139-F186 AromaticContact CD1-CE1 3.91Å; Y139-F186 HydrophobicContact CD1-CE1 3.91Å; Y139-F186 AromaticContact CD1-CZ 3.48Å; Y139-F186 HydrophobicContact CD1-CZ 3.48Å; Y139-F186 VanDerWaalsContact CD1-CZ 3.48Å; Y139-F186 AromaticContact CE1-CE1 3.51Å; Y139-F186 HydrophobicContact CE1-CE1 3.51Å; Y139-F186 AromaticContact CE1-CZ 3.37Å; Y139-F186 HydrophobicContact CE1-CZ 3.37Å; Y139-F186 HydrophobicContact CG-CZ 4.35Å; Y139-F186 WeakPolarHBondContact O-CE2 3.38Å; Y139-F186 WeakPolarHBondContact O-CZ 3.41Å; Y139-K199 VanDerWaalsContact O-CE 3.29Å; Y139-K199 WeakPolarHBondContact O-CE 3.04Å
140G82.6Confident85.5Confident0 Ų065.2 Ų65.20%034%0.338CS..  trans92.9-6.9177.600000114.9C136 C192 G197C136-G140 PolarHBondContact SG-N 3.26Å; G140-C192 PolarHBondContact O-N 3.34Å; G140-G197 VanDerWaalsContact O-CA 3.29Å; G140-G197 WeakPolarHBondContact O-CA 3.48Å
141G86.1Confident85.2Confident8 Ų866.5 Ų66.58%0.08235%0.347CS..BIsolated β-bridgetrans-167.5-165.3-179.500000112.6Y139 D190Y139-G141 WeakPolarHBondContact CD1-O 3.45Å; G141-D190 CarbonylContact C-O 3.46Å; G141-D190 WeakPolarHBondContact CA-O 3.45Å
142K84.9Confident84.9Confident145 Ų14566 Ų6663%0.6334%0.344SS*.SBendtrans-67.9130.6173.7-170.8177.4179.5-176.40110.1Y139 G144 A145 D190Y139-K142 WeakPolarHBondContact CE1-O 3.39Å; K142-G144 PolarHBondContact O-N 2.88Å; K142-A145 HydrophobicContact CB-CB 4.01Å; K142-A145 WeakPolarHBondContact O-CB 3.43Å; K142-A145 PolarHBondContact O-N 2.97Å; K142-D190 PolarHBondContact N-O 3.16Å
143K81.5Confident84.6Confident146 Ų14672.1 Ų72.164%0.63537%0.369SS*.THydrogen-bonded Turntrans-54.5126.1177.4-66.8-178.5-177.61740109.4D137 Y139D137-K143 IonicContact OD2-NZ 3.85Å; D137-K143 PolarHBondContact OD2-NZ 3.3Å; Y139-K143 HydrophobicContact CD1-CG 4.34Å; Y139-K143 HydrophobicContact CG-CG 4.5Å
144G80.3Confident84.3Confident72 Ų7273.8 Ų73.874%0.74239%0.387SS*.THydrogen-bonded Turntrans85.6-6.3-176.700000117Y139 K142 L146Y139-G144 PolarHBondContact OH-N 2.94Å; K142-G144 PolarHBondContact O-N 2.88Å; G144-L146 VanDerWaalsContact C-N 3.26Å; G144-L146 PolarHBondContact O-N 3.16Å
145A81.9Confident84.1Confident18 Ų1876.9 Ų76.915%0.14939%0.393CS..  trans-9123.1177.100000113.5K142 F186 D190K142-A145 HydrophobicContact CB-CB 4.01Å; K142-A145 WeakPolarHBondContact O-CB 3.43Å; K142-A145 PolarHBondContact O-N 2.97Å; A145-F186 HydrophobicContact CB-CD1 4.44Å; A145-F186 WeakPolarHBondContact O-CD1 3.27Å; A145-D190 HydrophobicContact CB-CB 3.66Å
146L82Confident83.9Confident58 Ų5870 Ų7030%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-89.1119.2-176-172.463.2000109G144 E184 F186G144-L146 VanDerWaalsContact C-N 3.26Å; G144-L146 PolarHBondContact O-N 3.16Å; L146-E184 HydrophobicContact CD1-CB 3.75Å; L146-E184 HydrophobicContact CD2-CB 4.36Å; L146-E184 WeakPolarHBondContact CD2-OE2 3.2Å; L146-E184 HydrophobicContact CG-CB 3.92Å; L146-F186 HydrophobicContact CB-CE1 4.05Å; L146-F186 HydrophobicContact CB-CZ 4.3Å; L146-F186 HydrophobicContact CD1-CD1 4.42Å; L146-F186 HydrophobicContact CD1-CD2 4.21Å; L146-F186 HydrophobicContact CD1-CE1 3.99Å; L146-F186 HydrophobicContact CD1-CE2 3.74Å; L146-F186 HydrophobicContact CD1-CZ 3.62Å; L146-F186 HydrophobicContact CG-CZ 4.47Å
147E84.7Confident84.1Confident89 Ų8972.1 Ų72.142%0.41638%0.377SS..EExtended strand (participates in β ladder)trans-114144.8-176.3-67.8179.1-177.300110.9C149 E184 K185 N187E147-C149 PolarHBondContact O-N 3.03Å; E147-E184 CarbonylContact O-C 3.54Å; E147-E184 WeakPolarHBondContact O-CA 3.22Å; E147-K185 PolarHBondContact N-O 2.77Å; E147-K185 PolarHBondContact O-N 3.13Å; E147-N187 PolarHBondContact OE1-ND2 3.19Å; E147-N187 PolarHBondContact OE2-ND2 2.62Å
148K86.1Confident84.1Confident160 Ų16068.9 Ų68.970%0.69636%0.358SS*.EExtended strand (participates in β ladder)trans-62134.1173.4-69.2-177.4-179.5178.80109.3S150K148-S150 PolarHBondContact O-N 3.09Å; K148-S150 VanDerWaalsContact O-N 3.11Å
149C85.6Confident84.1Confident1 Ų172.6 Ų72.61%0.00738%0.375CS..  trans-62.5118.5178.9178.60000109.9E147 T151 C152 K153 G154 C179 G183E147-C149 PolarHBondContact O-N 3.03Å; C149-T151 PolarHBondContact O-N 2.94Å; C149-C152 WeakPolarHBondContact CB-SG 3.24Å; C149-C152 VanDerWaalsContact SG-SG 3.63Å; C149-K153 WeakPolarHBondContact O-CA 3.45Å; C149-K153 PolarHBondContact O-N 3.43Å; C149-G154 PolarHBondContact O-N 3.05Å; C149-C179 HydrophobicContact CB-CB 3.76Å; C149-G183 WeakPolarHBondContact CB-O 3.46Å; C149-G183 PolarHBondContact N-O 2.79Å
150S86.4Confident84Confident82 Ų8276.1 Ų76.157%0.57339%0.388SS*.THydrogen-bonded Turntrans-56.4-35179.150.60000113.3K148 K185K148-S150 PolarHBondContact O-N 3.09Å; K148-S150 VanDerWaalsContact O-N 3.11Å; S150-K185 PolarHBondContact OG-NZ 3.14Å; S150-K185 VanDerWaalsContact OG-NZ 3.13Å
151T85.1Confident83.9Confident67 Ų6780.2 Ų80.241%0.41141%0.413SS..THydrogen-bonded Turntrans-84.3-35.5-168.6-34.70000113C149 D178C149-T151 PolarHBondContact O-N 2.94Å; T151-D178 WeakPolarHBondContact CB-OD2 3.34Å; T151-D178 WeakPolarHBondContact CG2-OD2 3.45Å; T151-D178 PolarHBondContact OG1-OD2 3.31Å
152C83.6Confident83.7Confident7 Ų785.6 Ų85.65%0.04744%0.436CS..THydrogen-bonded Turntrans-102.5-0.8172.2670000113.5C149 G154 R155 G156 C176 C179C149-C152 WeakPolarHBondContact CB-SG 3.24Å; C149-C152 VanDerWaalsContact SG-SG 3.63Å; C152-G154 PolarHBondContact O-N 2.85Å; C152-R155 HydrophobicContact CB-CB 4.49Å; C152-R155 WeakPolarHBondContact O-CB 3.48Å; C152-R155 WeakPolarHBondContact O-CG 2.9Å; C152-R155 PolarHBondContact O-N 2.98Å; C152-G156 PolarHBondContact SG-N 3.17Å; C152-C176 HydrophobicContact CB-CB 3.79Å; C152-C179 PolarHBondContact SG-SG 3.05Å
153K85Confident83.4Confident179 Ų17985.3 Ų85.378%0.77844%0.437SS*.THydrogen-bonded Turntrans49.338.8-175.2-58.8-178.1-179.8-179.80113.1C149C149-K153 WeakPolarHBondContact O-CA 3.45Å; C149-K153 PolarHBondContact O-N 3.43Å
154G81.8Confident83.3Confident36 Ų3683.5 Ų83.537%0.37143%0.433SS..THydrogen-bonded Turntrans86.2-2.6-177.400000115.7C149 C152 G183C149-G154 PolarHBondContact O-N 3.05Å; C152-G154 PolarHBondContact O-N 2.85Å; G154-G183 WeakPolarHBondContact CA-O 3.41Å
155R83.9Confident83.5Confident198 Ų19881.2 Ų81.275%0.74741%0.41SS*.SBendtrans-80.2-13.7-177.3-63.6-179.1176-179.3-2.5114.5C152 V157C152-R155 HydrophobicContact CB-CB 4.49Å; C152-R155 WeakPolarHBondContact O-CB 3.48Å; C152-R155 WeakPolarHBondContact O-CG 2.9Å; C152-R155 PolarHBondContact O-N 2.98Å; R155-V157 PolarHBondContact O-N 3.43Å
156G82.8Confident83.2Confident4 Ų486.9 Ų86.94%0.04145%0.445CS..SBendtrans71.5-18.4-178.200000115.4C152 C176 G181C152-G156 PolarHBondContact SG-N 3.17Å; G156-C176 WeakPolarHBondContact O-CB 3.06Å; G156-C176 PolarHBondContact O-N 2.79Å; G156-G181 WeakPolarHBondContact O-CA 3.43Å
157V88.4Confident83.1Confident54 Ų5487.9 Ų87.933%0.32747%0.469SS..EExtended strand (participates in β ladder)trans-120.9150.1179.8-64.30000112R155 S174R155-V157 PolarHBondContact O-N 3.43Å; V157-S174 WeakPolarHBondContact CA-O 3.05Å
158Q85.5Confident82.7Confident39 Ų3990.6 Ų90.618%0.18248%0.484CS..EExtended strand (participates in β ladder)trans-115136171.8-71.2177.78.400109.3S174 C176Q158-S174 PolarHBondContact N-O 3.44Å; Q158-S174 PolarHBondContact O-N 2.77Å; Q158-S174 VanDerWaalsContact O-O 3.13Å; Q158-S174 PolarHBondContact O-OG 3.34Å; Q158-C176 HydrophobicContact CG-CB 3.97Å; Q158-C176 PolarHBondContact NE2-SG 2.79Å
159I84.6Confident82.5Confident87 Ų8788.2 Ų88.245%0.44648%0.478SS..EExtended strand (participates in β ladder)trans-89.9110.4175.6-57.2170.4000106.9Q171 Q173I159-Q171 HydrophobicContact CG2-CB 3.91Å; I159-Q171 HydrophobicContact CG2-CG 4.34Å; I159-Q173 HydrophobicContact CG1-CG 4.2Å
160R80.6Confident82.4Confident149 Ų14993.2 Ų93.256%0.56250%0.501SS*.EExtended strand (participates in β ladder)trans-94.8122.7169.6-78.5-169.7179.6-162.43.4108.6T172 H177R160-T172 PolarHBondContact N-O 3.35Å; R160-T172 PolarHBondContact O-N 3.11Å; R160-H177 PolarHBondContact NH2-NE2 2.85Å
161V81.6Confident82.2Confident86 Ų8695.4 Ų95.452%0.52150%0.502SS..EExtended strand (participates in β ladder)trans-88.3112.8173.3-170.20000107.4I169 Q170 Q171V161-I169 HydrophobicContact CG1-CB 3.78Å; V161-I169 HydrophobicContact CG1-CD1 4.36Å; V161-I169 HydrophobicContact CG1-CG2 4.06Å; V161-Q170 WeakPolarHBondContact CA-O 3.36Å; V161-Q171 HydrophobicContact CG2-CG 4.24Å
162Q81.8Confident82.2Confident120 Ų12095 Ų9556%0.56150%0.499SS*.EExtended strand (participates in β ladder)trans-105.4124.3176.4-173.5170-12.400108.8I164 Q170Q162-I164 HydrophobicContact CG-CG1 4.4Å; Q162-I164 PolarHBondContact O-N 2.95Å; Q162-Q170 PolarHBondContact N-O 2.89Å; Q162-Q170 PolarHBondContact O-N 3.3Å
163Q77.7Confident82.3Confident140 Ų140101.2 Ų101.265%0.65453%0.528SS*.EExtended strand (participates in β ladder)trans-87.4111.3177.8-165.4169.51.800108.6G165 I169Q163-G165 WeakPolarHBondContact CG-O 3.37Å; Q163-I169 HydrophobicContact CG-CG2 4.31Å
164I80.3Confident82.5Confident107 Ų10794.1 Ų94.155%0.54950%0.501SS..EExtended strand (participates in β ladder)trans-93.6-13.9-174.1-58.5-176.5000111Q162 M168 Q170Q162-I164 HydrophobicContact CG-CG1 4.4Å; Q162-I164 PolarHBondContact O-N 2.95Å; I164-M168 PolarHBondContact N-O 3.17Å; I164-M168 VanDerWaalsContact N-O 3.12Å; I164-Q170 HydrophobicContact CD1-CB 3.59Å; I164-Q170 HydrophobicContact CD1-CG 4.29Å; I164-Q170 HydrophobicContact CG1-CB 4.24Å
165G83.9Confident82.7Confident25 Ų2599.1 Ų99.126%0.25852%0.516SS..EExtended strand (participates in β ladder)trans-173.9-178.4172.600000113.2Q163 G167 M168Q163-G165 WeakPolarHBondContact CG-O 3.37Å; G165-G167 PolarHBondContact O-N 3.43Å; G165-G167 VanDerWaalsContact O-N 3.13Å; G165-M168 PolarHBondContact O-N 2.97Å
166P75Confident82.8Confident136 Ų13689.7 Ų89.788%0.88348%0.481SS*.THydrogen-bonded Turntrans-58.3116.3173.3-18.831.2000110M168P166-M168 VanDerWaalsContact C-N 3.34Å; P166-M168 PolarHBondContact O-N 3.5Å
167G80.1Confident82.9Confident80 Ų8095.4 Ų95.483%0.82551%0.506SS*.THydrogen-bonded Turntrans80.5-3.8178.300000116.9G165G165-G167 PolarHBondContact O-N 3.43Å; G165-G167 VanDerWaalsContact O-N 3.13Å
168M76.8Confident82.6Confident145 Ų14596.8 Ų96.871%0.71451%0.511SS*.EExtended strand (participates in β ladder)trans-114.5109179.1-71.2-173.9175.200111.8I164 G165 P166I164-M168 PolarHBondContact N-O 3.17Å; I164-M168 VanDerWaalsContact N-O 3.12Å; G165-M168 PolarHBondContact O-N 2.97Å; P166-M168 VanDerWaalsContact C-N 3.34Å; P166-M168 PolarHBondContact O-N 3.5Å
169I82.6Confident82.3Confident111 Ų11195.3 Ų95.357%0.56951%0.505SS*.EExtended strand (participates in β ladder)trans-101.8125.2171.852.5166.6000109.9V161 Q163V161-I169 HydrophobicContact CG1-CB 3.78Å; V161-I169 HydrophobicContact CG1-CD1 4.36Å; V161-I169 HydrophobicContact CG1-CG2 4.06Å; Q163-I169 HydrophobicContact CG-CG2 4.31Å
170Q82.3Confident82.1Confident106 Ų10697.4 Ų97.450%0.49551%0.513SS..EExtended strand (participates in β ladder)trans-101.9127.5169.7-170.9175.429.600109V161 Q162 I164V161-Q170 WeakPolarHBondContact CA-O 3.36Å; Q162-Q170 PolarHBondContact N-O 2.89Å; Q162-Q170 PolarHBondContact O-N 3.3Å; I164-Q170 HydrophobicContact CD1-CB 3.59Å; I164-Q170 HydrophobicContact CD1-CG 4.29Å; I164-Q170 HydrophobicContact CG1-CB 4.24Å
171Q83.6Confident82Confident127 Ų12792.1 Ų92.159%0.59351%0.505SS*.EExtended strand (participates in β ladder)trans-90.5107.3172.3-61.8-168.1-0.500109I159 V161I159-Q171 HydrophobicContact CG2-CB 3.91Å; I159-Q171 HydrophobicContact CG2-CG 4.34Å; V161-Q171 HydrophobicContact CG2-CG 4.24Å
172T85.1Confident82Confident58 Ų5892.9 Ų92.936%0.35650%0.503SS..EExtended strand (participates in β ladder)trans-98.8121.2176.6-58.40000109.2R160 S174R160-T172 PolarHBondContact N-O 3.35Å; R160-T172 PolarHBondContact O-N 3.11Å; T172-S174 PolarHBondContact O-N 3.28Å
173Q85.8Confident81.9Confident139 Ų13987.3 Ų87.365%0.6548%0.477SS*.EExtended strand (participates in β ladder)trans-77.6118.9170-80.6-175.5-1.400109.7I159I159-Q173 HydrophobicContact CG1-CG 4.2Å
174S88Confident82.2Confident30 Ų3084.8 Ų84.821%0.2147%0.466CS..EExtended strand (participates in β ladder)trans-113.9148.5172.957.60000110.4V157 Q158 T172 C176V157-S174 WeakPolarHBondContact CA-O 3.05Å; Q158-S174 PolarHBondContact N-O 3.44Å; Q158-S174 PolarHBondContact O-N 2.77Å; Q158-S174 VanDerWaalsContact O-O 3.13Å; Q158-S174 PolarHBondContact O-OG 3.34Å; T172-S174 PolarHBondContact O-N 3.28Å; S174-C176 PolarHBondContact O-N 3.42Å
175M87.2Confident82.4Confident141 Ų14182 Ų8270%0.69545%0.45SS*.EExtended strand (participates in β ladder)trans-57.8134.9172.8-69179.3162.400110.6H177M175-H177 PolarHBondContact O-N 3.17Å; M175-H177 VanDerWaalsContact O-N 3.13Å
176C85.5Confident82.4Confident0 Ų081.6 Ų81.60%044%0.441CS..  trans-64.6114.9-179.9176.30000110.2C152 G156 Q158 S174 D178 C179 Q180C152-C176 HydrophobicContact CB-CB 3.79Å; G156-C176 WeakPolarHBondContact O-CB 3.06Å; G156-C176 PolarHBondContact O-N 2.79Å; Q158-C176 HydrophobicContact CG-CB 3.97Å; Q158-C176 PolarHBondContact NE2-SG 2.79Å; S174-C176 PolarHBondContact O-N 3.42Å; C176-D178 PolarHBondContact O-N 2.97Å; C176-D178 VanDerWaalsContact O-N 3.16Å; C176-C179 VanDerWaalsContact CB-SG 3.56Å; C176-C179 PolarHBondContact O-N 3.28Å; C176-Q180 WeakPolarHBondContact O-CA 3.47Å; C176-Q180 PolarHBondContact O-N 2.89Å
177H83.9Confident82.8Confident124 Ų12478 Ų7857%0.57441%0.414SS*.THydrogen-bonded Turntrans-57.4-33.3-177.6-64-74.9000113.7R160 M175R160-H177 PolarHBondContact NH2-NE2 2.85Å; M175-H177 PolarHBondContact O-N 3.17Å; M175-H177 VanDerWaalsContact O-N 3.13Å
178D81.8Confident82.8Confident82 Ų8278.2 Ų78.244%0.43941%0.408SS..THydrogen-bonded Turntrans-77.1-23-176.2-65.2-41.1000115.4T151 C176T151-D178 WeakPolarHBondContact CB-OD2 3.34Å; T151-D178 WeakPolarHBondContact CG2-OD2 3.45Å; T151-D178 PolarHBondContact OG1-OD2 3.31Å; C176-D178 PolarHBondContact O-N 2.97Å; C176-D178 VanDerWaalsContact O-N 3.16Å
179C79.4Confident83.1Confident9 Ų980.7 Ų80.76%0.06142%0.415CS..THydrogen-bonded Turntrans-124.41.5177.966.20000113.1C149 C152 C176 G181 Q182 G183C149-C179 HydrophobicContact CB-CB 3.76Å; C152-C179 PolarHBondContact SG-SG 3.05Å; C176-C179 VanDerWaalsContact CB-SG 3.56Å; C176-C179 PolarHBondContact O-N 3.28Å; C179-G181 PolarHBondContact O-N 3.37Å; C179-G181 VanDerWaalsContact O-N 3.12Å; C179-Q182 VanDerWaalsContact O-CB 3.3Å; C179-Q182 WeakPolarHBondContact O-CB 3.31Å; C179-Q182 WeakPolarHBondContact O-CG 3.28Å; C179-Q182 PolarHBondContact O-N 2.82Å; C179-G183 PolarHBondContact SG-N 3.12Å
180Q80.5Confident83.3Confident131 Ų13177.9 Ų77.961%0.61240%0.401SS*.THydrogen-bonded Turntrans4939.7179.9-60.1178.1-14.400112.8C176C176-Q180 WeakPolarHBondContact O-CA 3.47Å; C176-Q180 PolarHBondContact O-N 2.89Å
181G79.3Confident83.5Confident37 Ų3778.2 Ų78.238%0.38140%0.398SS..THydrogen-bonded Turntrans88-10.1-178.400000115.9G156 C179 G183G156-G181 WeakPolarHBondContact O-CA 3.43Å; C179-G181 PolarHBondContact O-N 3.37Å; C179-G181 VanDerWaalsContact O-N 3.12Å; G181-G183 VanDerWaalsContact C-N 3.35Å; G181-G183 PolarHBondContact O-N 3.45Å
182Q80.6Confident83.6Confident102 Ų10272.9 Ų72.948%0.47737%0.374SS..  trans-75.9-18.2-175.1-60.6-173.222.600114C179 E184 K199C179-Q182 VanDerWaalsContact O-CB 3.3Å; C179-Q182 WeakPolarHBondContact O-CB 3.31Å; C179-Q182 WeakPolarHBondContact O-CG 3.28Å; C179-Q182 PolarHBondContact O-N 2.82Å; Q182-E184 PolarHBondContact O-N 2.87Å; Q182-K199 VanDerWaalsContact OE1-NZ 3.11Å
183G80.5Confident83.7Confident3 Ų379.4 Ų79.43%0.03140%0.398CS..SBendtrans73.8-20.8-177.700000114.6C149 G154 C179 G181C149-G183 WeakPolarHBondContact CB-O 3.46Å; C149-G183 PolarHBondContact N-O 2.79Å; G154-G183 WeakPolarHBondContact CA-O 3.41Å; C179-G183 PolarHBondContact SG-N 3.12Å; G181-G183 VanDerWaalsContact C-N 3.35Å; G181-G183 PolarHBondContact O-N 3.45Å
184E84.1Confident83.7Confident87 Ų8775.9 Ų75.941%0.40738%0.383SS..EExtended strand (participates in β ladder)trans-122.7150.8178.3-61177.7155.600110L146 E147 Q182L146-E184 HydrophobicContact CD1-CB 3.75Å; L146-E184 HydrophobicContact CD2-CB 4.36Å; L146-E184 WeakPolarHBondContact CD2-OE2 3.2Å; L146-E184 HydrophobicContact CG-CB 3.92Å; E147-E184 CarbonylContact O-C 3.54Å; E147-E184 WeakPolarHBondContact O-CA 3.22Å; Q182-E184 PolarHBondContact O-N 2.87Å
185K84.4Confident83.5Confident50 Ų5074.8 Ų74.822%0.21738%0.375CS..EExtended strand (participates in β ladder)trans-143.3151.3-179.170.9179.8-173.1-178.20111.3E147 S150E147-K185 PolarHBondContact N-O 2.77Å; E147-K185 PolarHBondContact O-N 3.13Å; S150-K185 PolarHBondContact OG-NZ 3.14Å; S150-K185 VanDerWaalsContact OG-NZ 3.13Å
186F84Confident83.4Confident15 Ų1572.9 Ų72.97%0.06637%0.368CS..EExtended strand (participates in β ladder)trans-91.4138.1167.4-67.6-78.1000110.6Y139 A145 L146 R191Y139-F186 AromaticContact CD1-CE1 3.91Å; Y139-F186 HydrophobicContact CD1-CE1 3.91Å; Y139-F186 AromaticContact CD1-CZ 3.48Å; Y139-F186 HydrophobicContact CD1-CZ 3.48Å; Y139-F186 VanDerWaalsContact CD1-CZ 3.48Å; Y139-F186 AromaticContact CE1-CE1 3.51Å; Y139-F186 HydrophobicContact CE1-CE1 3.51Å; Y139-F186 AromaticContact CE1-CZ 3.37Å; Y139-F186 HydrophobicContact CE1-CZ 3.37Å; Y139-F186 HydrophobicContact CG-CZ 4.35Å; Y139-F186 WeakPolarHBondContact O-CE2 3.38Å; Y139-F186 WeakPolarHBondContact O-CZ 3.41Å; A145-F186 HydrophobicContact CB-CD1 4.44Å; A145-F186 WeakPolarHBondContact O-CD1 3.27Å; L146-F186 HydrophobicContact CB-CE1 4.05Å; L146-F186 HydrophobicContact CB-CZ 4.3Å; L146-F186 HydrophobicContact CD1-CD1 4.42Å; L146-F186 HydrophobicContact CD1-CD2 4.21Å; L146-F186 HydrophobicContact CD1-CE1 3.99Å; L146-F186 HydrophobicContact CD1-CE2 3.74Å; L146-F186 HydrophobicContact CD1-CZ 3.62Å; L146-F186 HydrophobicContact CG-CZ 4.47Å; F186-R191 HydrophobicContact CB-CG 3.68Å; F186-R191 PolarHBondContact O-NE 2.7Å; F186-R191 VanDerWaalsContact O-NE 3.11Å
187N83.1Confident83.2Confident61 Ų6173.7 Ų73.733%0.32638%0.376SS..  trans-60.2147.9165.9-80.9-33.5000110.5E147 K189 D190 R191E147-N187 PolarHBondContact OE1-ND2 3.19Å; E147-N187 PolarHBondContact OE2-ND2 2.62Å; N187-K189 PolarHBondContact O-N 3.27Å; N187-D190 PolarHBondContact O-N 3.11Å; N187-R191 PolarHBondContact O-N 3.01Å; N187-R191 VanDerWaalsContact O-N 3.14Å
188A81.2Confident83Confident84 Ų8473.5 Ų73.569%0.69438%0.375SS*.THydrogen-bonded Turntrans-55.6-30.4-173.100000113.4
189K83.2Confident83.2Confident198 Ų19872.1 Ų72.186%0.86137%0.366SS*.THydrogen-bonded Turntrans-74.7-28.5178.2-63.1-178.7-179.2178.80113.6N187N187-K189 PolarHBondContact O-N 3.27Å
190D85.1Confident83.7Confident52 Ų5273.9 Ų73.928%0.27837%0.374SS..THydrogen-bonded Turntrans-100.9-3.3-174-59.6-58.9000113.1G141 K142 A145 N187G141-D190 CarbonylContact C-O 3.46Å; G141-D190 WeakPolarHBondContact CA-O 3.45Å; K142-D190 PolarHBondContact N-O 3.16Å; A145-D190 HydrophobicContact CB-CB 3.66Å; N187-D190 PolarHBondContact O-N 3.11Å
191R86.5Confident84.2Confident113 Ų11369.1 Ų69.143%0.42635%0.352SS..BIsolated β-bridgetrans-62.5141170.6-73.2175.4-168.3-167.70.9109.9F186 N187 K193F186-R191 HydrophobicContact CB-CG 3.68Å; F186-R191 PolarHBondContact O-NE 2.7Å; F186-R191 VanDerWaalsContact O-NE 3.11Å; N187-R191 PolarHBondContact O-N 3.01Å; N187-R191 VanDerWaalsContact O-N 3.14Å; R191-K193 PolarHBondContact O-N 3.44Å
192C86.7Confident84.7Confident15 Ų1576.9 Ų76.910%0.10137%0.37CS..  trans-61127.9173.4178.60000109.3C133 C136 G140 N194 C195 N196C133-C192 VanDerWaalsContact SG-SG 3.67Å; C136-C192 HydrophobicContact CB-CB 4.01Å; G140-C192 PolarHBondContact O-N 3.34Å; C192-N194 PolarHBondContact O-N 3.3Å; C192-C195 VanDerWaalsContact CB-SG 3.53Å; C192-N196 WeakPolarHBondContact O-CA 3.08Å; C192-N196 PolarHBondContact O-N 3.07Å
193K87.5Confident85.2Confident195 Ų19575.1 Ų75.185%0.84836%0.361SS*.THydrogen-bonded Turntrans-66.6-18.6-179.3-62-178.6-179.7-179.50113.9R191R191-K193 PolarHBondContact O-N 3.44Å
194N85.9Confident85.7Confident65 Ų6582.6 Ų82.635%0.34839%0.392SS..THydrogen-bonded Turntrans-86-51.8-178.7-129.439.5000111.8K135 C192 E201K135-N194 HydrophobicContact CD-CB 3.99Å; K135-N194 PolarHBondContact NZ-OD1 3.29Å; C192-N194 PolarHBondContact O-N 3.3Å; N194-E201 VanDerWaalsContact CB-OE1 3.29Å; N194-E201 WeakPolarHBondContact CB-OE1 3.5Å; N194-E201 VanDerWaalsContact CG-OE1 3.31Å; N194-E201 PolarHBondContact ND2-OE1 3.35Å; N194-E201 PolarHBondContact ND2-OE2 2.86Å; N194-E201 VanDerWaalsContact ND2-OE2 3.07Å
195C84Confident86Confident6 Ų682.3 Ų82.34%0.04139%0.389CS..THydrogen-bonded Turntrans-99.5-1.1-177.270.10000113.2C133 C192 G197 H198 K199 L200 E201C133-C195 HydrophobicContact CB-CB 3.96Å; C192-C195 VanDerWaalsContact CB-SG 3.53Å; C195-G197 PolarHBondContact O-N 3.43Å; C195-H198 VanDerWaalsContact O-CB 3.23Å; C195-H198 WeakPolarHBondContact O-CB 3.33Å; C195-H198 PolarHBondContact O-CD2 2.88Å; C195-H198 PolarHBondContact O-N 2.78Å; C195-K199 PolarHBondContact SG-N 2.91Å; C195-K199 VanDerWaalsContact SG-N 3.38Å; C195-L200 WeakPolarHBondContact CB-O 3.5Å; C195-E201 HydrophobicContact CB-CG 4.33Å
196N84.3Confident86.5Confident101 Ų10185 Ų8554%0.5441%0.405SS..THydrogen-bonded Turntrans52.326.6-179.3-66-39.7000115.2C192C192-N196 WeakPolarHBondContact O-CA 3.08Å; C192-N196 PolarHBondContact O-N 3.07Å
197G80.6Confident86.9Confident17 Ų1784.8 Ų84.818%0.17541%0.405CS..THydrogen-bonded Turntrans98.4-6.7-175.300000115.2G140 C195 K199G140-G197 VanDerWaalsContact O-CA 3.29Å; G140-G197 WeakPolarHBondContact O-CA 3.48Å; C195-G197 PolarHBondContact O-N 3.43Å; G197-K199 VanDerWaalsContact C-N 3.31Å; G197-K199 PolarHBondContact O-N 3.41Å
198H81.1Confident87.4Confident120 Ų12086.1 Ų86.156%0.55641%0.409SS*.SBendtrans-80.8-5-176.7-65.1-69.8000114.8C195 L200C195-H198 VanDerWaalsContact O-CB 3.23Å; C195-H198 WeakPolarHBondContact O-CB 3.33Å; C195-H198 PolarHBondContact O-CD2 2.88Å; C195-H198 PolarHBondContact O-N 2.78Å; H198-L200 PolarHBondContact O-N 3.24Å
199K86.1Confident88Confident54 Ų5482.1 Ų82.124%0.23538%0.376CS..SBendtrans66.3-19177.3-55.8171.8174.2170.50115.3C133 G138 Y139 Q182 C195 G197 P231C133-K199 VanDerWaalsContact CB-O 3.25Å; C133-K199 WeakPolarHBondContact CB-O 3.29Å; C133-K199 PolarHBondContact N-O 2.7Å; G138-K199 WeakPolarHBondContact O-CB 3.48Å; G138-K199 VanDerWaalsContact O-CD 3.26Å; G138-K199 WeakPolarHBondContact O-CD 3.02Å; G138-K199 WeakPolarHBondContact O-CG 3.32Å; Y139-K199 VanDerWaalsContact O-CE 3.29Å; Y139-K199 WeakPolarHBondContact O-CE 3.04Å; Q182-K199 VanDerWaalsContact OE1-NZ 3.11Å; C195-K199 PolarHBondContact SG-N 2.91Å; C195-K199 VanDerWaalsContact SG-N 3.38Å; G197-K199 VanDerWaalsContact C-N 3.31Å; G197-K199 PolarHBondContact O-N 3.41Å; K199-P231 HydrophobicContact CB-CG 4.05Å; K199-P231 HydrophobicContact CD-CG 4.43Å
200L89.9Confident88.5Confident45 Ų4577.8 Ų77.824%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-119.5155.7-176.4-61.5173.5000111.5N130 V131 I132 C195 H198 Q229 P231N130-L200 HydrophobicContact CB-CD1 4.38Å; V131-L200 CarbonylContact O-C 3.59Å; V131-L200 WeakPolarHBondContact O-CA 2.91Å; I132-L200 HydrophobicContact CG1-CD2 4.15Å; C195-L200 WeakPolarHBondContact CB-O 3.5Å; H198-L200 PolarHBondContact O-N 3.24Å; L200-Q229 VanDerWaalsContact CD2-O 3.23Å; L200-Q229 WeakPolarHBondContact CD2-O 3.41Å; L200-P231 HydrophobicContact CD2-CG 4.37Å
201E90.4Very high89Confident32 Ų3275.4 Ų75.415%0.1535%0.346CS..EExtended strand (participates in β ladder)trans-131.5138.4174.3-74173.2-150.100110.7V131 C133 N194 C195 K203V131-E201 PolarHBondContact N-O 2.83Å; V131-E201 PolarHBondContact O-N 3.22Å; C133-E201 HydrophobicContact CB-CG 4.2Å; C133-E201 WeakPolarHBondContact CB-OE1 3.4Å; C133-E201 PolarHBondContact SG-OE1 3.21Å; N194-E201 VanDerWaalsContact CB-OE1 3.29Å; N194-E201 WeakPolarHBondContact CB-OE1 3.5Å; N194-E201 VanDerWaalsContact CG-OE1 3.31Å; N194-E201 PolarHBondContact ND2-OE1 3.35Å; N194-E201 PolarHBondContact ND2-OE2 2.86Å; N194-E201 VanDerWaalsContact ND2-OE2 3.07Å; C195-E201 HydrophobicContact CB-CG 4.33Å; E201-K203 PolarHBondContact O-N 3.37Å
202R90.1Very high89.3Confident200 Ų20074.3 Ų74.376%0.75535%0.348SS*.EExtended strand (participates in β ladder)trans-81.3114.9174.2-70.7-179.1-179.2-173.41.5109.6K129 N130K129-R202 WeakPolarHBondContact O-CA 3.18Å; N130-R202 VanDerWaalsContact OD1-CG 3.25Å; N130-R202 WeakPolarHBondContact OD1-CG 3.34Å
203K90.4Very high89.6Confident65 Ų6578.6 Ų78.628%0.28337%0.365SS..EExtended strand (participates in β ladder)trans-112.5137173.3-65.4-169.7178.3-171.50109.9K129 V131 E134 E201K129-K203 PolarHBondContact N-O 3.42Å; K129-K203 PolarHBondContact O-N 3.32Å; V131-K203 HydrophobicContact CB-CD 4.32Å; V131-K203 HydrophobicContact CB-CG 4.47Å; V131-K203 HydrophobicContact CG2-CB 3.89Å; V131-K203 HydrophobicContact CG2-CD 4.07Å; V131-K203 HydrophobicContact CG2-CG 4.03Å; E134-K203 IonicContact OE1-NZ 3.86Å; E134-K203 PolarHBondContact OE1-NZ 3.22Å; E134-K203 IonicContact OE2-NZ 3.73Å; E134-K203 PolarHBondContact OE2-NZ 3.15Å; E201-K203 PolarHBondContact O-N 3.37Å
204K91.8Very high89.8Confident160 Ų16069.3 Ų69.370%0.69633%0.325SS*.EExtended strand (participates in β ladder)trans-86.8122.3172.1-165.6178.2-176.2179.80108.5L127L127-K204 CarbonylContact O-C 3.56Å; L127-K204 WeakPolarHBondContact O-CA 3.39Å
205K90.9Very high90.2Very high80 Ų8066.5 Ų66.535%0.34831%0.31SS..EExtended strand (participates in β ladder)trans-120.1140.3175.4-173.1170.2178.3176.50109.3L127 L207 E226L127-K205 PolarHBondContact N-O 2.88Å; L127-K205 PolarHBondContact O-N 3.01Å; K205-L207 HydrophobicContact CD-CD2 4.24Å; K205-L207 HydrophobicContact CG-CD2 4.31Å; K205-E226 VanDerWaalsContact CD-OE2 3.29Å; K205-E226 WeakPolarHBondContact CD-OE2 3.47Å; K205-E226 WeakPolarHBondContact CE-OE2 3.32Å; K205-E226 IonicContact NZ-OE1 3.03Å; K205-E226 PolarHBondContact NZ-OE1 2.79Å; K205-E226 IonicContact NZ-OE2 2.65Å; K205-E226 PolarHBondContact NZ-OE2 2.89Å
206I93Very high90.7Very high107 Ų10770.8 Ų70.855%0.54933%0.328SS..EExtended strand (participates in β ladder)trans-99.8120.8175.6-58.4173.3000106.8K124 L125K124-I206 HydrophobicContact CB-CG2 3.77Å; K124-I206 HydrophobicContact CD-CG2 4.31Å; K124-I206 HydrophobicContact CG-CG2 4.44Å; L125-I206 WeakPolarHBondContact O-CA 3.46Å
207L92.5Very high91.1Very high10 Ų1070.3 Ų70.35%0.05233%0.325CS..EExtended strand (participates in β ladder)trans-98.5135.4170.4-61.2-172.4000109.1K124 L125 L127 K205 F223 E226K124-L207 CarbonylContact C-O 3.58Å; K124-L207 WeakPolarHBondContact CA-O 3.5Å; L125-L207 PolarHBondContact N-O 3.19Å; L125-L207 PolarHBondContact O-N 3.13Å; L127-L207 HydrophobicContact CD1-CD1 3.31Å; L127-L207 HydrophobicContact CD1-CG 3.83Å; K205-L207 HydrophobicContact CD-CD2 4.24Å; K205-L207 HydrophobicContact CG-CD2 4.31Å; L207-F223 HydrophobicContact CB-CE1 4.3Å; L207-F223 HydrophobicContact CB-CZ 4.48Å; L207-F223 HydrophobicContact CD1-CB 4.03Å; L207-F223 HydrophobicContact CD1-CD1 3.95Å; L207-F223 HydrophobicContact CD1-CD2 4.04Å; L207-F223 HydrophobicContact CD1-CE1 4.43Å; L207-F223 HydrophobicContact CD1-CG 3.73Å; L207-F223 HydrophobicContact CD2-CD1 4.4Å; L207-E226 HydrophobicContact CD1-CB 4.36Å; L207-E226 HydrophobicContact CD1-CG 4.44Å; L207-E226 HydrophobicContact CD2-CG 4.18Å
208E93.9Very high91.7Very high89 Ų8971.1 Ų71.142%0.41633%0.334SS..EExtended strand (participates in β ladder)trans-94.6115.3173.7-58-166.6156.700108.1T122 K124T122-E208 HydrophobicContact CG2-CB 4.27Å; K124-E208 WeakPolarHBondContact CE-OE1 3.4Å; K124-E208 HydrophobicContact CG-CG 4.32Å; K124-E208 IonicContact NZ-OE1 2.9Å; K124-E208 PolarHBondContact NZ-OE1 2.98Å
209V95.1Very high92.4Very high0 Ų068 Ų680%032%0.319CS..EExtended strand (participates in β ladder)trans-100.8111.8-178.6-169.80000107.5L110 T122 R123 L125 I221 F223 I240L110-V209 HydrophobicContact CD2-CB 4.14Å; L110-V209 HydrophobicContact CD2-CG1 3.91Å; L110-V209 HydrophobicContact CD2-CG2 4.37Å; T122-V209 WeakPolarHBondContact CA-O 3.32Å; R123-V209 PolarHBondContact N-O 2.73Å; R123-V209 PolarHBondContact O-N 3.13Å; L125-V209 HydrophobicContact CB-CG2 4.25Å; V209-I221 HydrophobicContact CG1-CD1 3.43Å; V209-I221 VanDerWaalsContact CG1-CD1 3.43Å; V209-F223 HydrophobicContact CG2-CE2 4.23Å; V209-F223 HydrophobicContact CG2-CZ 4.09Å; V209-I240 HydrophobicContact CG1-CD1 4.45Å; V209-I240 HydrophobicContact CG2-CD1 3.37Å
210H93.7Very high92.8Very high107 Ų10772.5 Ų72.550%0.49534%0.339SS..EExtended strand (participates in β ladder)trans-84.1122174.2-62-67.9000109.2T122T122-H210 WeakPolarHBondContact CG2-ND1 3.29Å; T122-H210 PolarHBondContact OG1-ND1 3.37Å
211I94.6Very high93Very high3 Ų371.9 Ų71.92%0.01534%0.335CS..EExtended strand (participates in β ladder)trans-104.7104175.9-60.2159.1000106.1L110 V112 G120 S121 R123 M215 L242L110-I211 HydrophobicContact CD2-CD1 4.36Å; V112-I211 HydrophobicContact CB-CD1 4.46Å; V112-I211 HydrophobicContact CG1-CD1 3.87Å; V112-I211 HydrophobicContact CG1-CG2 4.25Å; V112-I211 HydrophobicContact CG2-CD1 3.62Å; V112-I211 HydrophobicContact CG2-CG1 4.44Å; G120-I211 CarbonylContact C-O 3.52Å; G120-I211 VanDerWaalsContact CA-O 3.22Å; G120-I211 WeakPolarHBondContact CA-O 3.17Å; S121-I211 PolarHBondContact N-O 3.32Å; S121-I211 WeakPolarHBondContact O-CA 3.4Å; S121-I211 WeakPolarHBondContact O-CB 3.33Å; S121-I211 PolarHBondContact O-N 3.31Å; R123-I211 HydrophobicContact CB-CD1 4.39Å; R123-I211 HydrophobicContact CG-CD1 4.07Å; I211-M215 HydrophobicContact CG2-SD 4.3Å; I211-L242 HydrophobicContact CG1-CD2 4.41Å
212D93.4Very high93.1Very high90 Ų9073.2 Ų73.248%0.48135%0.346SS..  trans-74.1155.6178.2-64.5-35.2000111.1G214 M215D212-G214 PolarHBondContact O-N 3.4Å; D212-M215 HydrophobicContact CB-CG 3.9Å; D212-M215 HydrophobicContact CB-SD 4.1Å; D212-M215 PolarHBondContact N-SD 2.89Å; D212-M215 VanDerWaalsContact O-CG 3.28Å; D212-M215 WeakPolarHBondContact O-CG 3.42Å; D212-M215 PolarHBondContact O-N 3.35Å
213K93.4Very high93.3Very high104 Ų10465.8 Ų65.845%0.45232%0.319SS..THydrogen-bonded Turntrans-59.3134.5174.4-62.5178.3178.1176.50110M117 N119 M215 P308 H310 P313M117-K213 WeakPolarHBondContact O-CA 3.44Å; N119-K213 WeakPolarHBondContact O-CE 3.43Å; K213-M215 VanDerWaalsContact C-N 3.25Å; K213-M215 PolarHBondContact O-N 3.49Å; K213-P308 HydrophobicContact CB-CB 4.3Å; K213-H310 PolarHBondContact O-ND1 2.98Å; K213-P313 HydrophobicContact CD-CB 4.26Å
214G91.6Very high93.4Very high0 Ų069.2 Ų69.20%034%0.336CS..THydrogen-bonded Turntrans78.21.1176.300000115.4M117 D212 K216 R252 P308M117-G214 PolarHBondContact O-N 3.42Å; D212-G214 PolarHBondContact O-N 3.4Å; G214-K216 PolarHBondContact O-N 3.16Å; G214-R252 PolarHBondContact O-NH2 3.07Å; G214-R252 VanDerWaalsContact O-NH2 3.11Å; G214-P308 WeakPolarHBondContact CA-O 3.49Å
215M93.8Very high93.2Very high6 Ų662.7 Ų62.73%0.0331%0.314CS..PPolyproline II helixtrans-50.9144.5173.9-77.1-171.284.100111M117 I211 D212 K213 Q219 I221 L242 R252M117-M215 HydrophobicContact CE-CB 4.48Å; M117-M215 WeakPolarHBondContact CE-O 3.47Å; I211-M215 HydrophobicContact CG2-SD 4.3Å; D212-M215 HydrophobicContact CB-CG 3.9Å; D212-M215 HydrophobicContact CB-SD 4.1Å; D212-M215 PolarHBondContact N-SD 2.89Å; D212-M215 VanDerWaalsContact O-CG 3.28Å; D212-M215 WeakPolarHBondContact O-CG 3.42Å; D212-M215 PolarHBondContact O-N 3.35Å; K213-M215 VanDerWaalsContact C-N 3.25Å; K213-M215 PolarHBondContact O-N 3.49Å; M215-Q219 HydrophobicContact CE-CB 4.27Å; M215-Q219 HydrophobicContact CE-CG 3.75Å; M215-I221 HydrophobicContact CE-CD1 3.88Å; M215-I221 HydrophobicContact CE-CG1 3.86Å; M215-I221 HydrophobicContact SD-CD1 4.49Å; M215-L242 HydrophobicContact CB-CD1 3.99Å; M215-L242 HydrophobicContact CE-CD1 3.52Å; M215-L242 HydrophobicContact CE-CG 4.46Å; M215-L242 HydrophobicContact SD-CD1 3.82Å; M215-R252 PolarHBondContact O-NH1 2.82Å; M215-R252 PolarHBondContact O-NH2 3.46Å; M215-R252 VanDerWaalsContact O-NH2 3.09Å
216K93.2Very high93.2Very high97 Ų9760.7 Ų60.742%0.42231%0.306SS..PPolyproline II helixtrans-94.2156.5-174.4-63.6-172.6177.9-165.80111.2G214 Q219 D255G214-K216 PolarHBondContact O-N 3.16Å; K216-Q219 WeakPolarHBondContact O-CB 3.47Å; K216-Q219 PolarHBondContact O-N 3.36Å; K216-D255 VanDerWaalsContact CE-OD1 3.3Å; K216-D255 WeakPolarHBondContact CE-OD1 3.5Å; K216-D255 IonicContact NZ-OD1 3.4Å; K216-D255 PolarHBondContact NZ-OD1 2.74Å; K216-D255 IonicContact NZ-OD2 3.64Å; K216-D255 PolarHBondContact NZ-OD2 2.89Å
217D94.5Very high93Very high91 Ų9155.7 Ų55.749%0.48728%0.281SS..THydrogen-bonded Turntrans-59.9144169.9-178.150.8000110.6Q219 Q244D217-Q219 PolarHBondContact O-N 2.64Å; D217-Q219 VanDerWaalsContact O-N 3.17Å; D217-Q244 HydrophobicContact CB-CB 3.9Å; D217-Q244 WeakPolarHBondContact OD1-CB 3.23Å; D217-Q244 PolarHBondContact OD1-N 3.5Å
218G93.3Very high92.8Very high34 Ų3458 Ų5835%0.35129%0.293SS..THydrogen-bonded Turntrans70.91.2-176.100000115.4L242G218-L242 VanDerWaalsContact CA-O 3.29Å; G218-L242 WeakPolarHBondContact CA-O 3.43Å; G218-L242 PolarHBondContact N-O 3.21Å
219Q93.8Very high92.6Very high54 Ų5455.8 Ų55.825%0.25228%0.283SS..  trans-64.7137.7178.3-171.6170.1-6.700110.8M215 K216 D217 L242 H310M215-Q219 HydrophobicContact CE-CB 4.27Å; M215-Q219 HydrophobicContact CE-CG 3.75Å; K216-Q219 WeakPolarHBondContact O-CB 3.47Å; K216-Q219 PolarHBondContact O-N 3.36Å; D217-Q219 PolarHBondContact O-N 2.64Å; D217-Q219 VanDerWaalsContact O-N 3.17Å; Q219-L242 PolarHBondContact O-N 2.75Å; Q219-H310 PolarHBondContact NE2-NE2 3.34Å
220K94.9Very high92.1Very high148 Ų14860.7 Ų60.764%0.64331%0.306SS*.EExtended strand (participates in β ladder)trans-102.2127.2-173.3-57.3-175.5-179.3174.20111.1V239 I240 V241K220-V239 HydrophobicContact CB-CG1 3.95Å; K220-V239 HydrophobicContact CD-CG1 4.08Å; K220-V239 HydrophobicContact CG-CG1 4.22Å; K220-I240 CarbonylContact C-O 3.56Å; K220-I240 WeakPolarHBondContact CA-O 3.49Å; K220-V241 HydrophobicContact CG-CG2 4.25Å
221I93.9Very high91.6Very high32 Ų3258.7 Ų58.716%0.16430%0.302CS..EExtended strand (participates in β ladder)trans-109.7118.3171.9-55.4170.7000107.3V209 M215 F223 I240 L242V209-I221 HydrophobicContact CG1-CD1 3.43Å; V209-I221 VanDerWaalsContact CG1-CD1 3.43Å; M215-I221 HydrophobicContact CE-CD1 3.88Å; M215-I221 HydrophobicContact CE-CG1 3.86Å; M215-I221 HydrophobicContact SD-CD1 4.49Å; I221-F223 HydrophobicContact CB-CE2 4.47Å; I221-F223 HydrophobicContact CG2-CD2 4.4Å; I221-F223 HydrophobicContact CG2-CE2 3.66Å; I221-F223 HydrophobicContact CG2-CZ 4.09Å; I221-I240 HydrophobicContact CB-CB 4.44Å; I221-I240 PolarHBondContact N-O 2.61Å; I221-I240 PolarHBondContact O-N 2.82Å; I221-L242 HydrophobicContact CD1-CD1 4.47Å; I221-L242 HydrophobicContact CD1-CD2 3.97Å; I221-L242 HydrophobicContact CD1-CG 4.34Å
222T94.2Very high90.9Very high61 Ų6162 Ų6237%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-105.1128-174.4-54.10000110.9D237 V239T222-D237 HydrophobicContact CG2-CB 3.84Å; T222-V239 HydrophobicContact CG2-CG2 4.22Å
223F93.7Very high90.5Very high43 Ų4360.9 Ų60.919%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-106.4105.9172.5-67-93.8000109L207 V209 I221 E226 V238 I240L207-F223 HydrophobicContact CB-CE1 4.3Å; L207-F223 HydrophobicContact CB-CZ 4.48Å; L207-F223 HydrophobicContact CD1-CB 4.03Å; L207-F223 HydrophobicContact CD1-CD1 3.95Å; L207-F223 HydrophobicContact CD1-CD2 4.04Å; L207-F223 HydrophobicContact CD1-CE1 4.43Å; L207-F223 HydrophobicContact CD1-CG 3.73Å; L207-F223 HydrophobicContact CD2-CD1 4.4Å; V209-F223 HydrophobicContact CG2-CE2 4.23Å; V209-F223 HydrophobicContact CG2-CZ 4.09Å; I221-F223 HydrophobicContact CB-CE2 4.47Å; I221-F223 HydrophobicContact CG2-CD2 4.4Å; I221-F223 HydrophobicContact CG2-CE2 3.66Å; I221-F223 HydrophobicContact CG2-CZ 4.09Å; F223-E226 HydrophobicContact CB-CB 4.02Å; F223-E226 HydrophobicContact CB-CG 3.86Å; F223-V238 HydrophobicContact CB-CB 4.32Å; F223-V238 PolarHBondContact N-O 2.83Å; F223-V238 PolarHBondContact O-N 3Å; F223-I240 HydrophobicContact CD2-CD1 3.88Å; F223-I240 HydrophobicContact CD2-CG1 4.11Å; F223-I240 HydrophobicContact CE2-CD1 3.44Å; F223-I240 VanDerWaalsContact CE2-CD1 3.44Å; F223-I240 HydrophobicContact CE2-CG1 4.01Å; F223-I240 HydrophobicContact CZ-CD1 4.36Å
224H91.7Very high90.2Very high137 Ų13762.1 Ų62.163%0.63434%0.338SS*.THydrogen-bonded Turntrans-71.5133-173.5-64.9-60.2000112.6E226 D237H224-E226 PolarHBondContact O-N 2.8Å; H224-D237 WeakPolarHBondContact CA-OD1 3.19Å; H224-D237 IonicContact CE1-OD2 2.88Å; H224-D237 IonicContact CG-OD2 2.72Å; H224-D237 IonicContact ND1-OD1 2.71Å; H224-D237 IonicContact ND1-OD2 2.71Å; H224-D237 PolarHBondContact ND1-OD2 2.78Å
225G88.4Confident90.1Very high23 Ų2363.9 Ų63.924%0.23735%0.349CS..THydrogen-bonded Turntrans6811.5176.900000114.9G236 D237G225-G236 CarbonylContact C-O 3.52Å; G225-G236 WeakPolarHBondContact CA-O 3.47Å; G225-D237 PolarHBondContact N-OD1 2.82Å
226E89.8Confident89.9Confident39 Ų3963.6 Ų63.618%0.18235%0.348CS..  trans-88.7-1.5178-67.8-59.3163.200113.9K129 K205 L207 F223 H224 G236 V238K129-E226 WeakPolarHBondContact CD-O 3.06Å; K129-E226 IonicContact NZ-OE2 2.59Å; K129-E226 PolarHBondContact NZ-OE2 2.83Å; K205-E226 VanDerWaalsContact CD-OE2 3.29Å; K205-E226 WeakPolarHBondContact CD-OE2 3.47Å; K205-E226 WeakPolarHBondContact CE-OE2 3.32Å; K205-E226 IonicContact NZ-OE1 3.03Å; K205-E226 PolarHBondContact NZ-OE1 2.79Å; K205-E226 IonicContact NZ-OE2 2.65Å; K205-E226 PolarHBondContact NZ-OE2 2.89Å; L207-E226 HydrophobicContact CD1-CB 4.36Å; L207-E226 HydrophobicContact CD1-CG 4.44Å; L207-E226 HydrophobicContact CD2-CG 4.18Å; F223-E226 HydrophobicContact CB-CB 4.02Å; F223-E226 HydrophobicContact CB-CG 3.86Å; H224-E226 PolarHBondContact O-N 2.8Å; E226-G236 PolarHBondContact N-O 2.72Å; E226-V238 HydrophobicContact CB-CB 4.28Å; E226-V238 HydrophobicContact CB-CG2 3.92Å; E226-V238 WeakPolarHBondContact O-CG2 3.3Å
227G89Confident89.9Confident2 Ų259.4 Ų59.42%0.02133%0.331CS..SBendtrans-70.4-177.4175.900000113.7G236G227-G236 WeakPolarHBondContact CA-O 3.4Å; G227-G236 PolarHBondContact N-O 2.81Å
228D89.5Confident89.8Confident57 Ų5755.3 Ų55.331%0.30531%0.309SS..  trans-66135.6176.6-82.2-16.3000111.3K129 N130K129-D228 WeakPolarHBondContact CA-OD1 3.49Å; N130-D228 HydrophobicContact CB-CB 4.33Å; N130-D228 PolarHBondContact N-OD1 2.93Å; N130-D228 PolarHBondContact ND2-OD2 2.89Å
229Q88.1Confident89.9Confident44 Ų4454.7 Ų54.721%0.20630%0.298CS..  trans-91140.4175-64.5-179.35.400110.8N130 I132 L200 P235N130-Q229 WeakPolarHBondContact O-CB 3.39Å; N130-Q229 PolarHBondContact O-N 3.2Å; I132-Q229 HydrophobicContact CG1-CB 4.07Å; L200-Q229 VanDerWaalsContact CD2-O 3.23Å; L200-Q229 WeakPolarHBondContact CD2-O 3.41Å; Q229-P235 HydrophobicContact CG-CB 4.04Å; Q229-P235 HydrophobicContact CG-CG 4.49Å
230E85.8Confident90Very high103 Ų10352.1 Ų52.148%0.48129%0.286SS..BIsolated β-bridgetrans-127.6140.5171.5-69.3-174.2179.200109.7G232 L233E230-G232 PolarHBondContact O-N 3.29Å; E230-G232 VanDerWaalsContact O-N 3.13Å; E230-L233 HydrophobicContact CB-CB 4.32Å; E230-L233 HydrophobicContact CB-CD1 4.16Å; E230-L233 PolarHBondContact O-N 2.83Å; E230-L233 VanDerWaalsContact O-N 3.08Å; E230-L233 VanDerWaalsContact O-O 3.08Å; E230-L233 WeakPolarHBondContact OE2-CD1 3.35Å
231P83.4Confident90Very high65 Ų6546.2 Ų46.242%0.42226%0.262SS..THydrogen-bonded Turntrans-60.1120.3179.7-22.334.6000111.6K199 L200K199-P231 HydrophobicContact CB-CG 4.05Å; K199-P231 HydrophobicContact CD-CG 4.43Å; L200-P231 HydrophobicContact CD2-CG 4.37Å
232G80.3Confident90.1Very high73 Ų7344.8 Ų44.875%0.75326%0.255SS*.THydrogen-bonded Turntrans91.41.2-179.700000115.3E230E230-G232 PolarHBondContact O-N 3.29Å; E230-G232 VanDerWaalsContact O-N 3.13Å
233L84.7Confident90.2Very high66 Ų6645.4 Ų45.435%0.34626%0.256SS..BIsolated β-bridgetrans-123.5142.1173.3-64.5168.7000110.1R101 E230R101-L233 HydrophobicContact CB-CD2 4.14Å; R101-L233 CarbonylContact O-C 3.45Å; E230-L233 HydrophobicContact CB-CB 4.32Å; E230-L233 HydrophobicContact CB-CD1 4.16Å; E230-L233 PolarHBondContact O-N 2.83Å; E230-L233 VanDerWaalsContact O-N 3.08Å; E230-L233 VanDerWaalsContact O-O 3.08Å; E230-L233 WeakPolarHBondContact OE2-CD1 3.35Å
234E85.9Confident90.2Very high130 Ų13045.4 Ų45.461%0.60726%0.256SS*.BIsolated β-bridgetrans-65.8144.6167.4-61.9179170.800109.6R101 R102 G103R101-E234 WeakPolarHBondContact O-CA 3.3Å; R101-E234 VanDerWaalsContact O-CB 3.27Å; R101-E234 WeakPolarHBondContact O-CB 3.35Å; R101-E234 PolarHBondContact O-N 2.87Å; R102-E234 CarbonylContact C-O 3.56Å; R102-E234 VanDerWaalsContact CA-O 3.26Å; R102-E234 WeakPolarHBondContact CA-O 3.45Å; R102-E234 HydrophobicContact CG-CB 4.43Å; G103-E234 PolarHBondContact N-O 3.38Å
235P89.2Confident90.4Very high36 Ų3644 Ų4423%0.23425%0.249CC..  trans-63.7144.4177.723.2-30.8000112.2R102 Q229R102-P235 WeakPolarHBondContact CG-O 3.35Å; R102-P235 PolarHBondContact NE-O 3.47Å; Q229-P235 HydrophobicContact CG-CB 4.04Å; Q229-P235 HydrophobicContact CG-CG 4.49Å
236G90.7Very high90.7Very high0 Ų052.3 Ų52.30%028%0.281CS..  trans-70.7-179.5166.800000112.3G103 G225 E226 G227G103-G236 VanDerWaalsContact O-CA 3.26Å; G103-G236 WeakPolarHBondContact O-CA 3.34Å; G225-G236 CarbonylContact C-O 3.52Å; G225-G236 WeakPolarHBondContact CA-O 3.47Å; E226-G236 PolarHBondContact N-O 2.72Å; G227-G236 WeakPolarHBondContact CA-O 3.4Å; G227-G236 PolarHBondContact N-O 2.81Å
237D93.1Very high90.9Very high10 Ų1052.5 Ų52.55%0.05328%0.282CS..  trans-99.5151.4177.9-66.1-15.6000111.7R102 N105 V106 T222 H224 G225R102-D237 IonicContact CZ-OD1 3.46Å; R102-D237 IonicContact CZ-OD2 2.69Å; R102-D237 IonicContact NH1-OD2 3.79Å; R102-D237 IonicContact NH2-OD1 2.81Å; R102-D237 PolarHBondContact NH2-OD1 3.2Å; R102-D237 IonicContact NH2-OD2 2.75Å; R102-D237 PolarHBondContact NH2-OD2 2.95Å; N105-D237 CarbonylContact C-O 3.55Å; N105-D237 WeakPolarHBondContact CA-O 3.48Å; N105-D237 WeakPolarHBondContact CB-O 3.32Å; N105-D237 PolarHBondContact OD1-N 3.23Å; V106-D237 PolarHBondContact N-O 3.1Å; T222-D237 HydrophobicContact CG2-CB 3.84Å; H224-D237 WeakPolarHBondContact CA-OD1 3.19Å; H224-D237 IonicContact CE1-OD2 2.88Å; H224-D237 IonicContact CG-OD2 2.72Å; H224-D237 IonicContact ND1-OD1 2.71Å; H224-D237 IonicContact ND1-OD2 2.71Å; H224-D237 PolarHBondContact ND1-OD2 2.78Å; G225-D237 PolarHBondContact N-OD1 2.82Å
238V93Very high91.1Very high5 Ų558.3 Ų58.33%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-97.1116.6166.7175.70000108.1V106 L127 F223 E226 I240V106-V238 HydrophobicContact CB-CG2 4.45Å; V106-V238 CarbonylContact O-C 3.48Å; V106-V238 WeakPolarHBondContact O-CA 3.28Å; L127-V238 HydrophobicContact CD1-CG1 3.85Å; L127-V238 HydrophobicContact CD1-CG2 4.38Å; F223-V238 HydrophobicContact CB-CB 4.32Å; F223-V238 PolarHBondContact N-O 2.83Å; F223-V238 PolarHBondContact O-N 3Å; E226-V238 HydrophobicContact CB-CB 4.28Å; E226-V238 HydrophobicContact CB-CG2 3.92Å; E226-V238 WeakPolarHBondContact O-CG2 3.3Å; V238-I240 HydrophobicContact CG1-CG1 4.13Å
239V94.9Very high91.3Very high20 Ų2059.1 Ų59.112%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-103.1112.7177.4-176.20000108.2V106 V107 H108 K220 T222 V241V106-V239 PolarHBondContact O-N 2.86Å; V107-V239 CarbonylContact C-O 3.58Å; V107-V239 VanDerWaalsContact CA-O 3.3Å; V107-V239 WeakPolarHBondContact CA-O 3.42Å; V107-V239 HydrophobicContact CG2-CB 4.48Å; H108-V239 PolarHBondContact N-O 2.69Å; K220-V239 HydrophobicContact CB-CG1 3.95Å; K220-V239 HydrophobicContact CD-CG1 4.08Å; K220-V239 HydrophobicContact CG-CG1 4.22Å; T222-V239 HydrophobicContact CG2-CG2 4.22Å; V239-V241 HydrophobicContact CG1-CG2 4.44Å
240I95.2Very high91.6Very high0 Ų057.5 Ų57.50%032%0.319CS..EExtended strand (participates in β ladder)trans-93119.1174.7-56.1-174.3000108.1H108 L110 L125 V209 K220 I221 F223 V238H108-I240 CarbonylContact O-C 3.44Å; H108-I240 VanDerWaalsContact O-CA 3.28Å; H108-I240 WeakPolarHBondContact O-CA 3.28Å; L110-I240 HydrophobicContact CB-CG2 3.61Å; L110-I240 HydrophobicContact CD2-CG2 4.22Å; L125-I240 HydrophobicContact CD2-CD1 3.68Å; L125-I240 HydrophobicContact CD2-CG1 4.36Å; V209-I240 HydrophobicContact CG1-CD1 4.45Å; V209-I240 HydrophobicContact CG2-CD1 3.37Å; K220-I240 CarbonylContact C-O 3.56Å; K220-I240 WeakPolarHBondContact CA-O 3.49Å; I221-I240 HydrophobicContact CB-CB 4.44Å; I221-I240 PolarHBondContact N-O 2.61Å; I221-I240 PolarHBondContact O-N 2.82Å; F223-I240 HydrophobicContact CD2-CD1 3.88Å; F223-I240 HydrophobicContact CD2-CG1 4.11Å; F223-I240 HydrophobicContact CE2-CD1 3.44Å; F223-I240 VanDerWaalsContact CE2-CD1 3.44Å; F223-I240 HydrophobicContact CE2-CG1 4.01Å; F223-I240 HydrophobicContact CZ-CD1 4.36Å; V238-I240 HydrophobicContact CG1-CG1 4.13Å
241V96Very high92Very high25 Ų2559.2 Ų59.215%0.15233%0.326CS..EExtended strand (participates in β ladder)trans-98.1123.1175.2-173.50000107.2V107 H108 Q109 L110 K220 V239V107-V241 HydrophobicContact CG1-CG2 3.65Å; H108-V241 PolarHBondContact O-N 2.71Å; Q109-V241 WeakPolarHBondContact CA-O 3.45Å; L110-V241 PolarHBondContact N-O 2.9Å; K220-V241 HydrophobicContact CG-CG2 4.25Å; V239-V241 HydrophobicContact CG1-CG2 4.44Å
242L95.6Very high92.6Very high1 Ų157.5 Ų57.51%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-70.2131.7173-59.4-172000109.3L110 V112 M117 I211 M215 G218 Q219 I221L110-L242 HydrophobicContact CB-CD2 4.49Å; L110-L242 HydrophobicContact CD2-CD2 4.18Å; V112-L242 HydrophobicContact CG2-CD2 3.97Å; M117-L242 HydrophobicContact CE-CD1 4.44Å; I211-L242 HydrophobicContact CG1-CD2 4.41Å; M215-L242 HydrophobicContact CB-CD1 3.99Å; M215-L242 HydrophobicContact CE-CD1 3.52Å; M215-L242 HydrophobicContact CE-CG 4.46Å; M215-L242 HydrophobicContact SD-CD1 3.82Å; G218-L242 VanDerWaalsContact CA-O 3.29Å; G218-L242 WeakPolarHBondContact CA-O 3.43Å; G218-L242 PolarHBondContact N-O 3.21Å; Q219-L242 PolarHBondContact O-N 2.75Å; I221-L242 HydrophobicContact CD1-CD1 4.47Å; I221-L242 HydrophobicContact CD1-CD2 3.97Å; I221-L242 HydrophobicContact CD1-CG 4.34Å
243D95.7Very high93.2Very high74 Ų7460 Ų6040%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-120.7107.8177.7177.532.7000107.8L110 G111 V112 K245L110-D243 PolarHBondContact O-N 3.49Å; G111-D243 CarbonylContact C-O 3.6Å; G111-D243 VanDerWaalsContact CA-O 3.28Å; G111-D243 WeakPolarHBondContact CA-O 3.32Å; V112-D243 PolarHBondContact N-O 3.15Å; D243-K245 PolarHBondContact O-N 3.37Å
244Q94.8Very high93.6Very high43 Ų4359.1 Ų59.120%0.20131%0.311CS..EExtended strand (participates in β ladder)trans-75119.2-177-175.8-172.9-57.300110.1M117 D217M117-Q244 HydrophobicContact SD-CB 4.01Å; M117-Q244 HydrophobicContact SD-CG 3.76Å; D217-Q244 HydrophobicContact CB-CB 3.9Å; D217-Q244 WeakPolarHBondContact OD1-CB 3.23Å; D217-Q244 PolarHBondContact OD1-N 3.5Å
245K95.4Very high93.9Very high109 Ų10955 Ų5547%0.47429%0.293SS..PPolyproline II helixtrans-69.6142.3172.8-65.1-171.3178.5-172.60111.1V112 T113 D243V112-K245 PolarHBondContact O-N 2.87Å; T113-K245 HydrophobicContact CG2-CD 4.34Å; D243-K245 PolarHBondContact O-N 3.37Å
246E94.1Very high94.1Very high196 Ų19655.4 Ų55.492%0.91629%0.293SS*.PPolyproline II helixtrans-60.2136.9170.1-64.3-178.7176.400110.3
247H94.9Very high94.4Very high43 Ų4355.6 Ų55.620%0.19929%0.294CS..  trans-112140178.7176.9-70.2000108.9L114 E115 V249 F250L114-H247 HydrophobicContact CB-CB 4.26Å; L114-H247 HydrophobicContact CD2-CB 4.23Å; E115-H247 IonicContact OE1-CD2 2.69Å; E115-H247 PolarHBondContact OE1-CD2 2.98Å; E115-H247 IonicContact OE1-NE2 3.16Å; E115-H247 PolarHBondContact OE1-NE2 3.47Å; H247-V249 PolarHBondContact CE1-N 3.14Å; H247-V249 PolarHBondContact ND1-N 2.99Å; H247-V249 PolarHBondContact O-N 3.36Å; H247-F250 WeakPolarHBondContact CB-O 3.4Å; H247-F250 AromaticContact CE1-CD2 3.5Å; H247-F250 VanDerWaalsContact CE1-CD2 3.5Å; H247-F250 WeakPolarHBondContact CE1-CD2 3.37Å; H247-F250 AromaticContact ND1-CD2 3.83Å; H247-F250 PolarHBondContact ND1-N 3.33Å
248P92.8Very high94.5Very high124 Ų12456.2 Ų56.281%0.80530%0.298SS*.SBendtrans-66.6-32-17123.6-35000114.8
249V92.8Very high94.6Very high74 Ų7456.5 Ų56.545%0.44830%0.299SS..SBendtrans-103.3-52.4-176-174.60000112.5H247 M259H247-V249 PolarHBondContact CE1-N 3.14Å; H247-V249 PolarHBondContact ND1-N 2.99Å; H247-V249 PolarHBondContact O-N 3.36Å; V249-M259 HydrophobicContact CG1-CB 4.49Å; V249-M259 HydrophobicContact CG1-CE 3.87Å
250F95.4Very high94.7Very high11 Ų1161.3 Ų61.35%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-95.3136.1-178.1-56-72.4000112.6L114 H247 L257 V258 M259 I276 R277 L279 L319L114-F250 HydrophobicContact CD2-CB 3.77Å; H247-F250 WeakPolarHBondContact CB-O 3.4Å; H247-F250 AromaticContact CE1-CD2 3.5Å; H247-F250 VanDerWaalsContact CE1-CD2 3.5Å; H247-F250 WeakPolarHBondContact CE1-CD2 3.37Å; H247-F250 AromaticContact ND1-CD2 3.83Å; H247-F250 PolarHBondContact ND1-N 3.33Å; F250-L257 HydrophobicContact CB-CD2 4.4Å; F250-V258 CarbonylContact C-O 3.23Å; F250-V258 WeakPolarHBondContact CA-O 3.27Å; F250-M259 HydrophobicContact CD1-CB 3.91Å; F250-M259 HydrophobicContact CD1-SD 4.35Å; F250-M259 HydrophobicContact CE1-CB 4.16Å; F250-M259 HydrophobicContact CE1-CG 4.36Å; F250-M259 HydrophobicContact CE1-SD 3.65Å; F250-M259 HydrophobicContact CZ-SD 4.45Å; F250-I276 HydrophobicContact CE1-CG2 4.47Å; F250-I276 HydrophobicContact CZ-CG2 4.07Å; F250-R277 WeakPolarHBondContact CE2-O 3.39Å; F250-R277 WeakPolarHBondContact CZ-O 3.39Å; F250-L279 HydrophobicContact CD2-CD2 3.78Å; F250-L279 HydrophobicContact CD2-CG 4.24Å; F250-L279 HydrophobicContact CE2-CD2 4.27Å; F250-L319 HydrophobicContact CD1-CD1 4.06Å; F250-L319 HydrophobicContact CE1-CD1 3.92Å
251Q95Very high94.6Very high138 Ų13862.1 Ų62.165%0.64532%0.322SS*.EExtended strand (participates in β ladder)trans-113.8125.2168.2-175.5175.313.200108.7V258Q251-V258 HydrophobicContact CB-CB 4.49Å; Q251-V258 PolarHBondContact N-O 3.43Å; Q251-V258 PolarHBondContact O-N 3.44Å
252R94.8Very high94.5Very high30 Ų3064.3 Ų64.311%0.11333%0.333CS..EExtended strand (participates in β ladder)trans-79.8131.9178.1-173-175.5-178.5170.22.8110.8L114 G214 M215 G254 L257 M307L114-R252 HydrophobicContact CD1-CB 3.91Å; L114-R252 HydrophobicContact CD1-CG 4.38Å; G214-R252 PolarHBondContact O-NH2 3.07Å; G214-R252 VanDerWaalsContact O-NH2 3.11Å; M215-R252 PolarHBondContact O-NH1 2.82Å; M215-R252 PolarHBondContact O-NH2 3.46Å; M215-R252 VanDerWaalsContact O-NH2 3.09Å; R252-G254 WeakPolarHBondContact CG-O 3.49Å; R252-G254 PolarHBondContact NE-O 3.11Å; R252-L257 HydrophobicContact CB-CD2 4.32Å; R252-M307 HydrophobicContact CG-CG 3.93Å
253Q93.8Very high94.5Very high126 Ų12664.3 Ų64.359%0.58933%0.333SS*.EExtended strand (participates in β ladder)trans-126.295.2170.2-170.8175.610.800109.2D255 D256 V258Q253-D255 PolarHBondContact O-N 3.25Å; Q253-D256 PolarHBondContact N-O 2.72Å; Q253-D256 PolarHBondContact O-N 3.34Å; Q253-V258 HydrophobicContact CB-CG2 4.13Å
254G91.6Very high94.4Very high47 Ų4766.9 Ų66.949%0.48534%0.341SS..THydrogen-bonded Turntrans64.5-116-17400000111.4R252R252-G254 WeakPolarHBondContact CG-O 3.49Å; R252-G254 PolarHBondContact NE-O 3.11Å
255D92.2Very high94.3Very high44 Ų4467.4 Ų67.424%0.23535%0.345CS..THydrogen-bonded Turntrans-99.8-3.3177.6-56.1-48.7000111.8K216 Q253 M307 G317K216-D255 VanDerWaalsContact CE-OD1 3.3Å; K216-D255 WeakPolarHBondContact CE-OD1 3.5Å; K216-D255 IonicContact NZ-OD1 3.4Å; K216-D255 PolarHBondContact NZ-OD1 2.74Å; K216-D255 IonicContact NZ-OD2 3.64Å; K216-D255 PolarHBondContact NZ-OD2 2.89Å; Q253-D255 PolarHBondContact O-N 3.25Å; D255-M307 WeakPolarHBondContact O-CA 3.43Å; D255-M307 WeakPolarHBondContact O-CB 3.46Å; D255-M307 PolarHBondContact O-N 3.5Å; D255-G317 WeakPolarHBondContact O-CA 3.41Å
256D95.2Very high94Very high43 Ų4365.4 Ų65.423%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-96.5157.5176.4-60.4-37.1000111.8Q253 G317 M318 I320Q253-D256 PolarHBondContact N-O 2.72Å; Q253-D256 PolarHBondContact O-N 3.34Å; D256-G317 WeakPolarHBondContact OD1-CA 3.3Å; D256-M318 WeakPolarHBondContact CA-O 3.34Å; D256-M318 WeakPolarHBondContact CB-O 3.18Å; D256-M318 PolarHBondContact OD1-N 2.99Å; D256-I320 HydrophobicContact CB-CD1 4.16Å
257L95.4Very high93.9Very high4 Ų458.5 Ų58.52%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-113.8131.3173.9-71.3176.7000109.5L114 F250 R252 L279 M307 M318 L319 I320L114-L257 HydrophobicContact CD2-CD2 3.87Å; F250-L257 HydrophobicContact CB-CD2 4.4Å; R252-L257 HydrophobicContact CB-CD2 4.32Å; L257-L279 HydrophobicContact CD1-CD1 3.76Å; L257-L279 HydrophobicContact CD2-CD1 4.38Å; L257-M307 HydrophobicContact CD1-SD 4.38Å; L257-M307 HydrophobicContact CD2-CG 3.71Å; L257-M307 HydrophobicContact CD2-SD 3.81Å; L257-M307 HydrophobicContact CG-CG 3.98Å; L257-M307 HydrophobicContact CG-SD 4.31Å; L257-M318 PolarHBondContact N-O 2.78Å; L257-L319 HydrophobicContact CB-CD1 3.8Å; L257-L319 CarbonylContact O-C 3.45Å; L257-L319 WeakPolarHBondContact O-CA 3.34Å; L257-I320 PolarHBondContact O-N 2.83Å
258V96.3Very high93.8Very high23 Ų2356.6 Ų56.614%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-108.2134.6174.5-175.30000108.4F250 Q251 Q253 I320F250-V258 CarbonylContact C-O 3.23Å; F250-V258 WeakPolarHBondContact CA-O 3.27Å; Q251-V258 HydrophobicContact CB-CB 4.49Å; Q251-V258 PolarHBondContact N-O 3.43Å; Q251-V258 PolarHBondContact O-N 3.44Å; Q253-V258 HydrophobicContact CB-CG2 4.13Å; V258-I320 CarbonylContact C-O 3.57Å; V258-I320 WeakPolarHBondContact CA-O 3.48Å; V258-I320 HydrophobicContact CG2-CB 4.22Å; V258-I320 HydrophobicContact CG2-CD1 4.3Å
259M95.6Very high93.7Very high11 Ų1153.8 Ų53.85%0.05429%0.286CS..EExtended strand (participates in β ladder)trans-137.7154170.368.7172.3-65.100111.4V249 F250 I276 L319 I320 I321 Q322V249-M259 HydrophobicContact CG1-CB 4.49Å; V249-M259 HydrophobicContact CG1-CE 3.87Å; F250-M259 HydrophobicContact CD1-CB 3.91Å; F250-M259 HydrophobicContact CD1-SD 4.35Å; F250-M259 HydrophobicContact CE1-CB 4.16Å; F250-M259 HydrophobicContact CE1-CG 4.36Å; F250-M259 HydrophobicContact CE1-SD 3.65Å; F250-M259 HydrophobicContact CZ-SD 4.45Å; M259-I276 HydrophobicContact CE-CD1 3.71Å; M259-I276 HydrophobicContact CE-CG2 4Å; M259-I276 HydrophobicContact SD-CD1 3.62Å; M259-I276 HydrophobicContact SD-CG2 3.89Å; M259-L319 HydrophobicContact CG-CD1 4.06Å; M259-L319 HydrophobicContact SD-CD1 4.16Å; M259-L319 HydrophobicContact SD-CD2 4.29Å; M259-I320 PolarHBondContact N-O 3.05Å; M259-I321 HydrophobicContact CG-CB 4.39Å; M259-I321 HydrophobicContact CG-CG1 3.93Å; M259-I321 HydrophobicContact CG-CG2 4.28Å; M259-I321 WeakPolarHBondContact O-CA 3.39Å; M259-I321 HydrophobicContact SD-CD1 4.48Å; M259-I321 HydrophobicContact SD-CG1 4.27Å; M259-Q322 PolarHBondContact O-N 3.14Å
260K95.1Very high93.5Very high122 Ų12254.3 Ų54.353%0.5329%0.292SS..EExtended strand (participates in β ladder)trans-98.2135.8171.2-64.8178.4-178.3177.60109.1Q322K260-Q322 WeakPolarHBondContact CA-O 3.42Å; K260-Q322 HydrophobicContact CG-CB 4.47Å
261M94.5Very high93.3Very high16 Ų1654.6 Ų54.68%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-129118179.2-172.7173.3-141.600110.1I263 F272 K274 I276 I321 Q322 F323 Q324M261-I263 HydrophobicContact CG-CG2 4.35Å; M261-F272 HydrophobicContact CE-CE2 4.47Å; M261-F272 HydrophobicContact SD-CE2 4.25Å; M261-F272 HydrophobicContact SD-CZ 4.36Å; M261-K274 HydrophobicContact CE-CB 3.42Å; M261-K274 VanDerWaalsContact CE-CB 3.42Å; M261-K274 HydrophobicContact CE-CD 3.68Å; M261-K274 HydrophobicContact CE-CG 4.15Å; M261-I276 HydrophobicContact CE-CD1 3.58Å; M261-I276 HydrophobicContact CE-CG1 3.74Å; M261-I276 HydrophobicContact SD-CD1 3.91Å; M261-I321 HydrophobicContact CB-CG2 3.63Å; M261-I321 HydrophobicContact SD-CG2 4.35Å; M261-Q322 PolarHBondContact N-O 3.38Å; M261-F323 HydrophobicContact CB-CD1 4.21Å; M261-F323 HydrophobicContact CB-CE1 4.26Å; M261-F323 HydrophobicContact CG-CD1 4.46Å; M261-F323 HydrophobicContact CG-CE1 4.3Å; M261-F323 WeakPolarHBondContact O-CA 3.07Å; M261-F323 HydrophobicContact SD-CD1 4.49Å; M261-F323 HydrophobicContact SD-CE1 3.78Å; M261-Q324 PolarHBondContact O-N 3.36Å
262D94.2Very high93.2Very high72 Ų7248.7 Ų48.739%0.38527%0.27SS..EExtended strand (participates in β ladder)trans-84.7128.4178.8-50.2-39.4000109.4K274 Q324 E326D262-K274 PolarHBondContact O-NZ 3.17Å; D262-Q324 WeakPolarHBondContact CA-O 3.23Å; D262-Q324 WeakPolarHBondContact OD1-CB 3.29Å; D262-Q324 PolarHBondContact OD1-OE1 3.07Å; D262-E326 HydrophobicContact CB-CG 4.45Å
263I94.6Very high93.1Very high0 Ų056.4 Ų56.40%030%0.299CS..EExtended strand (participates in β ladder)trans-130144.8178.460.1171.4000109.8M261 E267 A268 F272 I294 F323 Q324 V325 E326M261-I263 HydrophobicContact CG-CG2 4.35Å; I263-E267 WeakPolarHBondContact CA-OE2 3.47Å; I263-E267 HydrophobicContact CB-CB 4.31Å; I263-A268 HydrophobicContact CD1-CB 3.75Å; I263-A268 HydrophobicContact CG1-CB 4.37Å; I263-F272 HydrophobicContact CG2-CD1 4.34Å; I263-F272 HydrophobicContact CG2-CE1 4.21Å; I263-F272 HydrophobicContact CG2-CZ 4.41Å; I263-I294 HydrophobicContact CD1-CB 4.07Å; I263-I294 HydrophobicContact CD1-CD1 4.42Å; I263-I294 HydrophobicContact CD1-CG2 3.78Å; I263-F323 HydrophobicContact CD1-CB 4.17Å; I263-F323 HydrophobicContact CD1-CD1 3.89Å; I263-F323 HydrophobicContact CD1-CG 4.3Å; I263-F323 HydrophobicContact CG1-CD1 4.34Å; I263-F323 HydrophobicContact CG2-CD1 3.97Å; I263-F323 HydrophobicContact CG2-CE1 4.36Å; I263-Q324 PolarHBondContact N-O 3.26Å; I263-V325 HydrophobicContact CD1-CG2 4.12Å; I263-V325 HydrophobicContact CG1-CG2 4.04Å; I263-V325 CarbonylContact O-C 3.5Å; I263-V325 WeakPolarHBondContact O-CA 3.13Å; I263-E326 PolarHBondContact O-N 2.65Å
264K94.3Very high93Very high128 Ų12852.9 Ų52.956%0.55728%0.282SS*.EExtended strand (participates in β ladder)trans-75155.4176.7-62.6-175.9177.3-1750110.5A266 E267 A268K264-A266 PolarHBondContact O-N 3.5Å; K264-E267 HydrophobicContact CB-CB 4.37Å; K264-E267 HydrophobicContact CB-CG 4.14Å; K264-E267 PolarHBondContact N-OE2 3.31Å; K264-E267 WeakPolarHBondContact O-CA 3.26Å; K264-E267 WeakPolarHBondContact O-CB 3.42Å; K264-E267 PolarHBondContact O-N 3.42Å; K264-A268 PolarHBondContact O-N 2.81Å
265L91.4Very high93.1Very high55 Ų5555.6 Ų55.629%0.28829%0.289SS..Hα-helixtrans-52.1-41.8174.7-177.962.3000113.1E267 A268 L269 V325 E326 F327L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 2.75Å; L265-A268 PolarHBondContact O-N 3.05Å; L265-L269 HydrophobicContact CD1-CD1 4.23Å; L265-L269 HydrophobicContact CD1-CG 4.45Å; L265-L269 HydrophobicContact CG-CD1 4.26Å; L265-L269 WeakPolarHBondContact O-CG 3.21Å; L265-L269 PolarHBondContact O-N 3.14Å; L265-V325 HydrophobicContact CB-CG1 4.29Å; L265-V325 HydrophobicContact CD1-CG1 4.11Å; L265-E326 PolarHBondContact N-O 2.95Å; L265-E326 VanDerWaalsContact N-O 3.14Å; L265-F327 HydrophobicContact CD1-CD1 4.46Å; L265-F327 HydrophobicContact CD1-CE1 3.95Å; L265-F327 HydrophobicContact CD1-CZ 4.29Å; L265-F327 HydrophobicContact CD2-CD1 4.02Å; L265-F327 HydrophobicContact CD2-CE1 4.1Å
266A90.8Very high93.1Very high67 Ų6754 Ų5455%0.55428%0.281SS*.Hα-helixtrans-64.3-38176.200000112.6K264 A268 L269 C270K264-A266 PolarHBondContact O-N 3.5Å; A266-A268 VanDerWaalsContact C-N 3.34Å; A266-L269 PolarHBondContact O-N 2.71Å; A266-C270 VanDerWaalsContact O-CB 3.22Å; A266-C270 WeakPolarHBondContact O-CB 3.26Å; A266-C270 PolarHBondContact O-N 3.08Å
267E92Very high93Very high50 Ų5059.9 Ų59.923%0.23430%0.299CS..Hα-helixtrans-67.9-35.1176.1-71.2178.9159.100111.7I263 K264 L265 L269 G271 F272 K274I263-E267 WeakPolarHBondContact CA-OE2 3.47Å; I263-E267 HydrophobicContact CB-CB 4.31Å; K264-E267 HydrophobicContact CB-CB 4.37Å; K264-E267 HydrophobicContact CB-CG 4.14Å; K264-E267 PolarHBondContact N-OE2 3.31Å; K264-E267 WeakPolarHBondContact O-CA 3.26Å; K264-E267 WeakPolarHBondContact O-CB 3.42Å; K264-E267 PolarHBondContact O-N 3.42Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 2.75Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-G271 CarbonylContact O-C 3.51Å; E267-G271 VanDerWaalsContact O-C 3.23Å; E267-G271 WeakPolarHBondContact O-CA 3.47Å; E267-G271 PolarHBondContact O-N 2.81Å; E267-F272 HydrophobicContact CB-CB 3.83Å; E267-F272 HydrophobicContact CG-CB 4.07Å; E267-K274 WeakPolarHBondContact OE1-CE 3.38Å; E267-K274 IonicContact OE1-NZ 3.22Å; E267-K274 WeakPolarHBondContact OE2-CE 3.33Å; E267-K274 IonicContact OE2-NZ 2.96Å; E267-K274 PolarHBondContact OE2-NZ 2.73Å
268A92.7Very high92.8Very high3 Ų360.3 Ų60.33%0.02530%0.302CS..Hα-helixtrans-69.5-29.317800000113.2I263 K264 L265 A266 V293 I294 V325I263-A268 HydrophobicContact CD1-CB 3.75Å; I263-A268 HydrophobicContact CG1-CB 4.37Å; K264-A268 PolarHBondContact O-N 2.81Å; L265-A268 PolarHBondContact O-N 3.05Å; A266-A268 VanDerWaalsContact C-N 3.34Å; A268-V293 WeakPolarHBondContact O-CA 3.46Å; A268-I294 PolarHBondContact O-N 3.28Å; A268-V325 HydrophobicContact CB-CG1 4.14Å; A268-V325 HydrophobicContact CB-CG2 3.9Å
269L90.4Very high92.6Very high65 Ų6559.6 Ų59.634%0.3430%0.298SS..Hα-helixtrans-95.8-44.3-179.6-64.8173.8000113L265 A266 E267 V293 L345L265-L269 HydrophobicContact CD1-CD1 4.23Å; L265-L269 HydrophobicContact CD1-CG 4.45Å; L265-L269 HydrophobicContact CG-CD1 4.26Å; L265-L269 WeakPolarHBondContact O-CG 3.21Å; L265-L269 PolarHBondContact O-N 3.14Å; A266-L269 PolarHBondContact O-N 2.71Å; E267-L269 VanDerWaalsContact C-N 3.34Å; L269-V293 HydrophobicContact CD2-CG1 3.98Å; L269-V293 HydrophobicContact CD2-CG2 4.12Å; L269-L345 HydrophobicContact CD1-CD2 4.49Å
270C88.3Confident92.2Very high86 Ų8660.9 Ų60.958%0.58130%0.304SS*.Hα-helixtrans-94.63.5-172.8-59.80000113.3A266 P290A266-C270 VanDerWaalsContact O-CB 3.22Å; A266-C270 WeakPolarHBondContact O-CB 3.26Å; A266-C270 PolarHBondContact O-N 3.08Å; C270-P290 VanDerWaalsContact O-CA 3.26Å; C270-P290 WeakPolarHBondContact O-CA 3.36Å; C270-P290 VanDerWaalsContact O-CB 3.28Å; C270-P290 WeakPolarHBondContact O-CB 3.16Å; C270-P290 WeakPolarHBondContact O-CG 3.23Å
271G90.7Very high92Very high16 Ų1660 Ų6017%0.16531%0.306CS..  trans79164.2-172.100000112.4E267E267-G271 CarbonylContact O-C 3.51Å; E267-G271 VanDerWaalsContact O-C 3.23Å; E267-G271 WeakPolarHBondContact O-CA 3.47Å; E267-G271 PolarHBondContact O-N 2.81Å
272F92.9Very high91.8Very high15 Ų1563.9 Ų63.97%0.06632%0.319CS..  trans-147.6166.7-178.774-91.6000111.5M261 I263 E267 K274 I286 S287 T288 I294 F323M261-F272 HydrophobicContact CE-CE2 4.47Å; M261-F272 HydrophobicContact SD-CE2 4.25Å; M261-F272 HydrophobicContact SD-CZ 4.36Å; I263-F272 HydrophobicContact CG2-CD1 4.34Å; I263-F272 HydrophobicContact CG2-CE1 4.21Å; I263-F272 HydrophobicContact CG2-CZ 4.41Å; E267-F272 HydrophobicContact CB-CB 3.83Å; E267-F272 HydrophobicContact CG-CB 4.07Å; F272-K274 HydrophobicContact CD2-CB 3.96Å; F272-K274 HydrophobicContact CD2-CD 4.23Å; F272-K274 HydrophobicContact CD2-CG 3.86Å; F272-K274 HydrophobicContact CE2-CB 4.05Å; F272-K274 HydrophobicContact CE2-CG 4.35Å; F272-I286 HydrophobicContact CE2-CG2 4.22Å; F272-I286 HydrophobicContact CZ-CG2 4.15Å; F272-S287 WeakPolarHBondContact O-CA 3.33Å; F272-T288 WeakPolarHBondContact CE1-OG1 3.37Å; F272-T288 PolarHBondContact N-O 3.11Å; F272-T288 PolarHBondContact O-N 3.15Å; F272-I294 HydrophobicContact CD1-CD1 4.34Å; F272-I294 HydrophobicContact CE1-CD1 3.6Å; F272-F323 AromaticContact CE1-CE1 3.91Å; F272-F323 HydrophobicContact CE1-CE1 3.91Å; F272-F323 HydrophobicContact CE1-CZ 4.48Å; F272-F323 AromaticContact CZ-CE1 3.56Å; F272-F323 HydrophobicContact CZ-CE1 3.56Å; F272-F323 HydrophobicContact CZ-CZ 4.07Å
273R93Very high91.7Very high191 Ų19164.7 Ų64.772%0.72133%0.331SS*.EExtended strand (participates in β ladder)trans-138.7108.8170.1-174178.3-179.6-178.92.2108.5I285 I286R273-I285 HydrophobicContact CG-CG2 3.63Å; R273-I286 WeakPolarHBondContact CA-O 3.47Å
274K92.2Very high91.6Very high53 Ų5366.1 Ų66.123%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-124.9151.2179.2-77.6-176.5-179.4177.90110.3M261 D262 E267 F272 I286M261-K274 HydrophobicContact CE-CB 3.42Å; M261-K274 VanDerWaalsContact CE-CB 3.42Å; M261-K274 HydrophobicContact CE-CD 3.68Å; M261-K274 HydrophobicContact CE-CG 4.15Å; D262-K274 PolarHBondContact O-NZ 3.17Å; E267-K274 WeakPolarHBondContact OE1-CE 3.38Å; E267-K274 IonicContact OE1-NZ 3.22Å; E267-K274 WeakPolarHBondContact OE2-CE 3.33Å; E267-K274 IonicContact OE2-NZ 2.96Å; E267-K274 PolarHBondContact OE2-NZ 2.73Å; F272-K274 HydrophobicContact CD2-CB 3.96Å; F272-K274 HydrophobicContact CD2-CD 4.23Å; F272-K274 HydrophobicContact CD2-CG 3.86Å; F272-K274 HydrophobicContact CE2-CB 4.05Å; F272-K274 HydrophobicContact CE2-CG 4.35Å; K274-I286 PolarHBondContact N-O 3.12Å; K274-I286 PolarHBondContact O-N 3.32Å
275T93.1Very high91.6Very high103 Ų10364.3 Ų64.363%0.63233%0.334SS*.EExtended strand (participates in β ladder)trans-104.4133.5176.848.90000110.5L284 I285T275-L284 CarbonylContact C-O 3.23Å; T275-L284 VanDerWaalsContact CA-O 3.25Å; T275-L284 WeakPolarHBondContact CA-O 3.35Å; T275-I285 HydrophobicContact CG2-CG1 4.02Å
276I93.1Very high91.7Very high12 Ų1262.7 Ų62.76%0.06233%0.325CS..EExtended strand (participates in β ladder)trans-117.2134.8176.6-54.6-171.4000108.5F250 M259 M261 S283 L284 I286 I321F250-I276 HydrophobicContact CE1-CG2 4.47Å; F250-I276 HydrophobicContact CZ-CG2 4.07Å; M259-I276 HydrophobicContact CE-CD1 3.71Å; M259-I276 HydrophobicContact CE-CG2 4Å; M259-I276 HydrophobicContact SD-CD1 3.62Å; M259-I276 HydrophobicContact SD-CG2 3.89Å; M261-I276 HydrophobicContact CE-CD1 3.58Å; M261-I276 HydrophobicContact CE-CG1 3.74Å; M261-I276 HydrophobicContact SD-CD1 3.91Å; I276-S283 CarbonylContact O-C 3.46Å; I276-S283 WeakPolarHBondContact O-CA 3.45Å; I276-L284 PolarHBondContact N-O 3.45Å; I276-L284 PolarHBondContact O-N 2.8Å; I276-I286 HydrophobicContact CD1-CD1 3.32Å; I276-I286 HydrophobicContact CD1-CG1 4Å; I276-I286 HydrophobicContact CG1-CD1 4.09Å; I276-I286 HydrophobicContact CG1-CG1 4.28Å; I276-I321 HydrophobicContact CD1-CD1 4.24Å
277R92.4Very high91.7Very high166 Ų16663.3 Ų63.363%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-90.2121.5174.7-172.7174175.6166.8-1.9109.6F250 N281 R282F250-R277 WeakPolarHBondContact CE2-O 3.39Å; F250-R277 WeakPolarHBondContact CZ-O 3.39Å; R277-N281 PolarHBondContact NE-OD1 3.49Å; R277-N281 VanDerWaalsContact NE-OD1 3.16Å; R277-N281 PolarHBondContact NH2-OD1 2.71Å; R277-R282 WeakPolarHBondContact CA-O 3.38Å
278T91.9Very high91.7Very high12 Ų1261.9 Ų61.97%0.07432%0.32CS..  trans-83.4169.5178.447.10000111.9D280 N281 R282 L284T278-D280 VanDerWaalsContact CB-OD1 3.3Å; T278-D280 WeakPolarHBondContact CB-OD1 3.37Å; T278-D280 PolarHBondContact O-N 2.69Å; T278-D280 PolarHBondContact OG1-OD1 2.83Å; T278-N281 PolarHBondContact O-N 2.88Å; T278-R282 PolarHBondContact N-O 2.59Å; T278-R282 WeakPolarHBondContact OG1-CB 3.43Å; T278-R282 PolarHBondContact OG1-N 2.9Å; T278-R282 PolarHBondContact OG1-O 2.84Å; T278-L284 HydrophobicContact CG2-CD1 3.36Å; T278-L284 HydrophobicContact CG2-CG 3.65Å
279L90.9Very high91.4Very high9 Ų968.3 Ų68.35%0.04735%0.351CS..THydrogen-bonded Turntrans-65.8-16.2-178.9-61.6171.2000114.1L114 E115 Y118 N119 F250 L257 M307L114-L279 HydrophobicContact CB-CD2 4.43Å; L114-L279 HydrophobicContact CD2-CD1 3.83Å; L114-L279 HydrophobicContact CD2-CD2 4.13Å; L114-L279 HydrophobicContact CG-CD1 3.71Å; L114-L279 HydrophobicContact CG-CD2 4.27Å; E115-L279 HydrophobicContact CG-CD2 3.89Å; Y118-L279 HydrophobicContact CD1-CB 4.05Å; Y118-L279 HydrophobicContact CD2-CB 3.9Å; Y118-L279 HydrophobicContact CD2-CD1 3.56Å; Y118-L279 HydrophobicContact CD2-CG 4.34Å; Y118-L279 HydrophobicContact CE2-CB 4.42Å; Y118-L279 HydrophobicContact CE2-CD1 4.31Å; Y118-L279 HydrophobicContact CG-CB 3.69Å; Y118-L279 HydrophobicContact CG-CD1 3.98Å; N119-L279 PolarHBondContact ND2-O 3.47Å; F250-L279 HydrophobicContact CD2-CD2 3.78Å; F250-L279 HydrophobicContact CD2-CG 4.24Å; F250-L279 HydrophobicContact CE2-CD2 4.27Å; L257-L279 HydrophobicContact CD1-CD1 3.76Å; L257-L279 HydrophobicContact CD2-CD1 4.38Å; L279-M307 HydrophobicContact CD1-SD 4.03Å
280D88.6Confident91.3Very high37 Ų3770.1 Ų70.120%0.19837%0.367CS..THydrogen-bonded Turntrans-96.512.3173.159.54.5000113.4Y118 T278 R282Y118-D280 HydrophobicContact CD1-CB 4.23Å; Y118-D280 HydrophobicContact CE1-CB 3.75Å; T278-D280 VanDerWaalsContact CB-OD1 3.3Å; T278-D280 WeakPolarHBondContact CB-OD1 3.37Å; T278-D280 PolarHBondContact O-N 2.69Å; T278-D280 PolarHBondContact OG1-OD1 2.83Å; D280-R282 PolarHBondContact O-N 3.4Å; D280-R282 WeakPolarHBondContact OD1-CB 3.29Å; D280-R282 PolarHBondContact OD1-N 2.87Å; D280-R282 IonicContact OD1-NE 3.7Å; D280-R282 PolarHBondContact OD1-NE 2.85Å; D280-R282 IonicContact OD1-NH2 3.96Å; D280-R282 IonicContact OD2-CZ 3.49Å; D280-R282 IonicContact OD2-NE 3.82Å; D280-R282 PolarHBondContact OD2-NE 2.78Å; D280-R282 IonicContact OD2-NH2 3.06Å; D280-R282 PolarHBondContact OD2-NH2 3.23Å
281N89Confident90.8Very high105 Ų10569 Ų6956%0.56137%0.37SS*.SBendtrans64.514.8-176.9-59.6-56.7000115.6R277 T278R277-N281 PolarHBondContact NE-OD1 3.49Å; R277-N281 VanDerWaalsContact NE-OD1 3.16Å; R277-N281 PolarHBondContact NH2-OD1 2.71Å; T278-N281 PolarHBondContact O-N 2.88Å
282R91.4Very high90.7Very high96 Ų9672.5 Ų72.536%0.36238%0.382SS..  trans-74.5158.4165.6-65.1-174.7-68.9129.413.7110.5R277 T278 D280 E305R277-R282 WeakPolarHBondContact CA-O 3.38Å; T278-R282 PolarHBondContact N-O 2.59Å; T278-R282 WeakPolarHBondContact OG1-CB 3.43Å; T278-R282 PolarHBondContact OG1-N 2.9Å; T278-R282 PolarHBondContact OG1-O 2.84Å; D280-R282 PolarHBondContact O-N 3.4Å; D280-R282 WeakPolarHBondContact OD1-CB 3.29Å; D280-R282 PolarHBondContact OD1-N 2.87Å; D280-R282 IonicContact OD1-NE 3.7Å; D280-R282 PolarHBondContact OD1-NE 2.85Å; D280-R282 IonicContact OD1-NH2 3.96Å; D280-R282 IonicContact OD2-CZ 3.49Å; D280-R282 IonicContact OD2-NE 3.82Å; D280-R282 PolarHBondContact OD2-NE 2.78Å; D280-R282 IonicContact OD2-NH2 3.06Å; D280-R282 PolarHBondContact OD2-NH2 3.23Å; R282-E305 IonicContact CZ-OE1 3.53Å; R282-E305 IonicContact CZ-OE2 3.27Å; R282-E305 IonicContact NH1-OE1 2.75Å; R282-E305 PolarHBondContact NH1-OE1 2.82Å; R282-E305 IonicContact NH1-OE2 2.73Å; R282-E305 IonicContact NH2-OE1 3.57Å; R282-E305 PolarHBondContact NH2-OE1 3.17Å; R282-E305 IonicContact NH2-OE2 3.11Å; R282-E305 PolarHBondContact NH2-OE2 3.03Å
283S92.9Very high90.6Very high89 Ų8975.6 Ų75.662%0.62240%0.402SS*.EExtended strand (participates in β ladder)trans-111.4113.3173.7-63.80000108.8I276I276-S283 CarbonylContact O-C 3.46Å; I276-S283 WeakPolarHBondContact O-CA 3.45Å
284L92.2Very high90.5Very high30 Ų3066.7 Ų66.716%0.15737%0.369CS..EExtended strand (participates in β ladder)trans-90.9136.3173.6-62.7179000109.4T275 I276 T278 E305T275-L284 CarbonylContact C-O 3.23Å; T275-L284 VanDerWaalsContact CA-O 3.25Å; T275-L284 WeakPolarHBondContact CA-O 3.35Å; I276-L284 PolarHBondContact N-O 3.45Å; I276-L284 PolarHBondContact O-N 2.8Å; T278-L284 HydrophobicContact CG2-CD1 3.36Å; T278-L284 HydrophobicContact CG2-CG 3.65Å; L284-E305 HydrophobicContact CD1-CB 4.05Å; L284-E305 HydrophobicContact CD1-CG 3.68Å
285I93.6Very high90.5Very high90 Ų9071.6 Ų71.646%0.46239%0.39SS..EExtended strand (participates in β ladder)trans-96.3117.3172.8-61174000107R273 T275R273-I285 HydrophobicContact CG-CG2 3.63Å; T275-I285 HydrophobicContact CG2-CG1 4.02Å
286I92.6Very high90.5Very high22 Ų2271.2 Ų71.211%0.11338%0.381CS..EExtended strand (participates in β ladder)trans-103.3123.8173.4-53.5-159.9000107.4F272 R273 K274 I276 V302 I321F272-I286 HydrophobicContact CE2-CG2 4.22Å; F272-I286 HydrophobicContact CZ-CG2 4.15Å; R273-I286 WeakPolarHBondContact CA-O 3.47Å; K274-I286 PolarHBondContact N-O 3.12Å; K274-I286 PolarHBondContact O-N 3.32Å; I276-I286 HydrophobicContact CD1-CD1 3.32Å; I276-I286 HydrophobicContact CD1-CG1 4Å; I276-I286 HydrophobicContact CG1-CD1 4.09Å; I276-I286 HydrophobicContact CG1-CG1 4.28Å; I286-V302 HydrophobicContact CD1-CG2 4.22Å; I286-I321 HydrophobicContact CD1-CD1 3.08Å
287S91.8Very high90.6Very high79 Ų7974.2 Ų74.255%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-137.4140.7-177.858.40000111.6F272F272-S287 WeakPolarHBondContact O-CA 3.33Å
288T91.8Very high90.6Very high20 Ų2068.5 Ų68.512%0.12338%0.379CS..  trans-116.8140.1172.5-57.70000108.3F272 E292 I294F272-T288 WeakPolarHBondContact CE1-OG1 3.37Å; F272-T288 PolarHBondContact N-O 3.11Å; F272-T288 PolarHBondContact O-N 3.15Å; T288-E292 HydrophobicContact CG2-CB 3.69Å; T288-E292 HydrophobicContact CG2-CG 4Å; T288-I294 HydrophobicContact CG2-CD1 4.05Å; T288-I294 HydrophobicContact CG2-CG1 4.46Å; T288-I294 WeakPolarHBondContact OG1-CD1 3.21Å
289M87.4Confident90.8Very high139 Ų13972.9 Ų72.969%0.68540%0.401SS*.  trans-73.3145.3179.1-67.8-64.3-70.200110.6G291 E292M289-G291 PolarHBondContact O-N 3.38Å; M289-E292 PolarHBondContact O-N 3.08Å; M289-E292 VanDerWaalsContact O-N 3.15Å
290P86.3Confident90.9Very high102 Ų10276.1 Ų76.166%0.66242%0.415SS*.THydrogen-bonded Turntrans-55.5130.9173-24.833.8000111.8C270C270-P290 VanDerWaalsContact O-CA 3.26Å; C270-P290 WeakPolarHBondContact O-CA 3.36Å; C270-P290 VanDerWaalsContact O-CB 3.28Å; C270-P290 WeakPolarHBondContact O-CB 3.16Å; C270-P290 WeakPolarHBondContact O-CG 3.23Å
291G79.8Confident91.2Very high63 Ų6377.9 Ų77.965%0.64943%0.429SS*.THydrogen-bonded Turntrans96.3-13.4-177.600000115M289 V293M289-G291 PolarHBondContact O-N 3.38Å; G291-V293 PolarHBondContact O-N 3.33Å
292E87.9Confident91.4Very high89 Ų8975.2 Ų75.242%0.41642%0.416SS..  trans-83.1108166.4-175.2-176.7172.400109.2T288 M289 K300T288-E292 HydrophobicContact CG2-CB 3.69Å; T288-E292 HydrophobicContact CG2-CG 4Å; M289-E292 PolarHBondContact O-N 3.08Å; M289-E292 VanDerWaalsContact O-N 3.15Å; E292-K300 IonicContact OE1-NZ 3.6Å; E292-K300 PolarHBondContact OE1-NZ 3Å
293V89.8Confident91.5Very high80 Ų8077.3 Ų77.349%0.48543%0.43SS..PPolyproline II helixtrans-81.8125.5-177.1178.80000110.7A268 L269 G291A268-V293 WeakPolarHBondContact O-CA 3.46Å; L269-V293 HydrophobicContact CD2-CG1 3.98Å; L269-V293 HydrophobicContact CD2-CG2 4.12Å; G291-V293 PolarHBondContact O-N 3.33Å
294I92.3Very high91.4Very high5 Ų577.9 Ų77.93%0.02643%0.426CS..PPolyproline II helixtrans-98.5122.4171.4-65.4171.3000108.7I263 A268 F272 T288 D298 F323I263-I294 HydrophobicContact CD1-CB 4.07Å; I263-I294 HydrophobicContact CD1-CD1 4.42Å; I263-I294 HydrophobicContact CD1-CG2 3.78Å; A268-I294 PolarHBondContact O-N 3.28Å; F272-I294 HydrophobicContact CD1-CD1 4.34Å; F272-I294 HydrophobicContact CE1-CD1 3.6Å; T288-I294 HydrophobicContact CG2-CD1 4.05Å; T288-I294 HydrophobicContact CG2-CG1 4.46Å; T288-I294 WeakPolarHBondContact OG1-CD1 3.21Å; I294-D298 HydrophobicContact CG2-CB 4.03Å; I294-F323 HydrophobicContact CD1-CE1 4.49Å; I294-F323 HydrophobicContact CD1-CZ 4.44Å; I294-F323 HydrophobicContact CG2-CB 3.58Å; I294-F323 HydrophobicContact CG2-CD1 4.33Å; I294-F323 HydrophobicContact CG2-CD2 3.85Å; I294-F323 HydrophobicContact CG2-CG 3.64Å
295K92.4Very high91.5Very high156 Ų15677.7 Ų77.768%0.67843%0.425SS*.PPolyproline II helixtrans-80.2158.8178.2-61.9179.9-177.7179.10110.6N297 D298K295-N297 PolarHBondContact O-N 3.17Å; K295-D298 HydrophobicContact CB-CB 4.21Å; K295-D298 WeakPolarHBondContact O-CB 3.25Å; K295-D298 PolarHBondContact O-N 2.7Å; K295-D298 VanDerWaalsContact O-N 3.07Å
296H93.1Very high91.4Very high95 Ų9573.4 Ų73.444%0.4440%0.403SS..THydrogen-bonded Turntrans-61.9134.2169.5-174.889.4000110D298 V325H296-D298 PolarHBondContact O-N 2.89Å; H296-V325 HydrophobicContact CB-CB 4.15Å; H296-V325 HydrophobicContact CB-CG2 4.22Å; H296-V325 PolarHBondContact ND1-N 3.27Å; H296-V325 VanDerWaalsContact ND1-N 3.17Å; H296-V325 PolarHBondContact ND1-O 3.36Å
297N93.6Very high91.5Very high74 Ų7472.4 Ų72.440%0.39640%0.397SS..THydrogen-bonded Turntrans60.418.8-171.2-66-41.8000115.3K295 Q322 F323K295-N297 PolarHBondContact O-N 3.17Å; N297-Q322 PolarHBondContact OD1-NE2 3.5Å; N297-F323 WeakPolarHBondContact CA-O 3.39Å; N297-F323 PolarHBondContact N-O 3.08Å
298D94.1Very high91.6Very high47 Ų4768.8 Ų68.825%0.25137%0.372SS..  trans-66.1148.5170.6-166.120.8000110.6I294 K295 H296 K300 F323I294-D298 HydrophobicContact CG2-CB 4.03Å; K295-D298 HydrophobicContact CB-CB 4.21Å; K295-D298 WeakPolarHBondContact O-CB 3.25Å; K295-D298 PolarHBondContact O-N 2.7Å; K295-D298 VanDerWaalsContact O-N 3.07Å; H296-D298 PolarHBondContact O-N 2.89Å; D298-K300 VanDerWaalsContact OD2-CE 3.24Å; D298-K300 WeakPolarHBondContact OD2-CE 3.26Å; D298-F323 PolarHBondContact O-N 2.78Å
299I95Very high91.6Very high104 Ų10470.3 Ų70.353%0.53338%0.379SS..EExtended strand (participates in β ladder)trans-120.5121.1-175.1-57.1175.6000108.3I320 I321I299-I320 HydrophobicContact CG2-CG2 3.4Å; I299-I321 WeakPolarHBondContact CA-O 3.49Å
300K93.9Very high91.6Very high77 Ų7765.8 Ų65.834%0.33536%0.356SS..EExtended strand (participates in β ladder)trans-120.2160.1171.2-54.5-78.8-179.6153.50109.5E292 D298 I321 F323E292-K300 IonicContact OE1-NZ 3.6Å; E292-K300 PolarHBondContact OE1-NZ 3Å; D298-K300 VanDerWaalsContact OD2-CE 3.24Å; D298-K300 WeakPolarHBondContact OD2-CE 3.26Å; K300-I321 PolarHBondContact N-O 2.88Å; K300-I321 PolarHBondContact O-N 2.85Å; K300-F323 HydrophobicContact CB-CE2 3.83Å; K300-F323 HydrophobicContact CG-CD2 4.23Å; K300-F323 HydrophobicContact CG-CE2 3.63Å
301C94.3Very high91.7Very high73 Ų7371 Ų7149%0.49336%0.362SS..EExtended strand (participates in β ladder)trans-126.4147.5177.6670000111.9L319C301-L319 CarbonylContact C-O 3.58Å; C301-L319 VanDerWaalsContact CA-O 3.26Å; C301-L319 WeakPolarHBondContact CA-O 3.18Å
302V93.9Very high92.1Very high49 Ų4972.7 Ų72.730%0.29736%0.357SS..EExtended strand (participates in β ladder)trans-111.7117.7167.8-175.50000107.2I286 E305 L319 I321I286-V302 HydrophobicContact CD1-CG2 4.22Å; V302-E305 HydrophobicContact CG1-CB 4.18Å; V302-E305 HydrophobicContact CG1-CG 3.95Å; V302-L319 HydrophobicContact CB-CB 4.28Å; V302-L319 PolarHBondContact N-O 2.98Å; V302-L319 PolarHBondContact O-N 3.27Å; V302-I321 HydrophobicContact CG2-CD1 4.2Å
303Q93.3Very high91.7Very high140 Ų14071.1 Ų71.165%0.65435%0.354SS*.THydrogen-bonded Turntrans-68.6146.8-179.1-64.7-176.4-1100111.2E305Q303-E305 PolarHBondContact O-N 2.65Å
304N91.6Very high91.5Very high101 Ų10177.9 Ų77.954%0.5437%0.373SS..THydrogen-bonded Turntrans62.518.2175.7-52.6-56000116R316 G317N304-R316 WeakPolarHBondContact O-CB 3.29Å; N304-R316 VanDerWaalsContact O-CD 3.24Å; N304-R316 WeakPolarHBondContact O-CD 3.05Å; N304-G317 CarbonylContact C-O 3.49Å; N304-G317 VanDerWaalsContact CA-O 3.26Å; N304-G317 WeakPolarHBondContact CA-O 3.33Å; N304-G317 PolarHBondContact N-O 2.79Å
305E92.7Very high91.5Very high27 Ų2783.5 Ų83.513%0.12640%0.399CS..  trans-118.316.2177.2-67.3-67.517700113R282 L284 V302 Q303 R316 G317 L319R282-E305 IonicContact CZ-OE1 3.53Å; R282-E305 IonicContact CZ-OE2 3.27Å; R282-E305 IonicContact NH1-OE1 2.75Å; R282-E305 PolarHBondContact NH1-OE1 2.82Å; R282-E305 IonicContact NH1-OE2 2.73Å; R282-E305 IonicContact NH2-OE1 3.57Å; R282-E305 PolarHBondContact NH2-OE1 3.17Å; R282-E305 IonicContact NH2-OE2 3.11Å; R282-E305 PolarHBondContact NH2-OE2 3.03Å; L284-E305 HydrophobicContact CD1-CB 4.05Å; L284-E305 HydrophobicContact CD1-CG 3.68Å; V302-E305 HydrophobicContact CG1-CB 4.18Å; V302-E305 HydrophobicContact CG1-CG 3.95Å; Q303-E305 PolarHBondContact O-N 2.65Å; E305-R316 IonicContact OE2-NH1 2.85Å; E305-G317 PolarHBondContact N-O 3.2Å; E305-L319 HydrophobicContact CB-CB 4.02Å
306G93.1Very high91.5Very high0 Ų079.5 Ų79.50%038%0.379CS..SBendtrans-85-159169.800000113.5Y118 G317 M318Y118-G306 VanDerWaalsContact CE2-O 3.28Å; Y118-G306 WeakPolarHBondContact CE2-O 3.07Å; G306-G317 VanDerWaalsContact CA-C 3.49Å; G306-G317 WeakPolarHBondContact CA-O 3.35Å; G306-G317 PolarHBondContact N-O 3.18Å; G306-M318 WeakPolarHBondContact CA-O 3.29Å
307M94.5Very high91.5Very high0 Ų075.4 Ų75.40%036%0.363CS..PPolyproline II helixtrans-71.6146.5177.9-68.7-66.4-72.800111.2L114 M117 Y118 R252 D255 L257 L279 R316 G317L114-M307 HydrophobicContact CD1-CE 3.86Å; L114-M307 HydrophobicContact CD1-SD 3.75Å; L114-M307 HydrophobicContact CG-SD 4.22Å; M117-M307 HydrophobicContact CB-CE 3.9Å; Y118-M307 HydrophobicContact CD2-SD 3.84Å; R252-M307 HydrophobicContact CG-CG 3.93Å; D255-M307 WeakPolarHBondContact O-CA 3.43Å; D255-M307 WeakPolarHBondContact O-CB 3.46Å; D255-M307 PolarHBondContact O-N 3.5Å; L257-M307 HydrophobicContact CD1-SD 4.38Å; L257-M307 HydrophobicContact CD2-CG 3.71Å; L257-M307 HydrophobicContact CD2-SD 3.81Å; L257-M307 HydrophobicContact CG-CG 3.98Å; L257-M307 HydrophobicContact CG-SD 4.31Å; L279-M307 HydrophobicContact CD1-SD 4.03Å; M307-R316 WeakPolarHBondContact O-CA 3.42Å; M307-G317 PolarHBondContact O-N 3.06Å
308P94Very high91.6Very high4 Ų475.3 Ų75.33%0.02636%0.361CS..EExtended strand (participates in β ladder)trans-61.5142.9169.5-19.932000110.9Y118 K213 G214 E315Y118-P308 HydrophobicContact CD2-CG 4.23Å; Y118-P308 HydrophobicContact CE2-CG 4.31Å; Y118-P308 HydrophobicContact CG-CG 4.39Å; K213-P308 HydrophobicContact CB-CB 4.3Å; G214-P308 WeakPolarHBondContact CA-O 3.49Å; P308-E315 WeakPolarHBondContact CA-O 3.45Å
309I91.5Very high91.7Very high52 Ų5273.1 Ų73.127%0.26735%0.35SS..EExtended strand (participates in β ladder)trans-75.1131.4174.8-59.1-179.9000108.7R311 D312 E315I309-R311 PolarHBondContact O-N 3.05Å; I309-D312 HydrophobicContact CB-CB 4.43Å; I309-D312 HydrophobicContact CG2-CB 4.41Å; I309-D312 CarbonylContact O-C 3.56Å; I309-D312 VanDerWaalsContact O-C 3.23Å; I309-D312 PolarHBondContact O-N 2.82Å; I309-D312 VanDerWaalsContact O-N 3.12Å; I309-E315 HydrophobicContact CD1-CB 3.83Å; I309-E315 HydrophobicContact CG1-CB 4.34Å; I309-E315 PolarHBondContact N-O 3.13Å
310H87.8Confident91.7Very high44 Ų4469.8 Ų69.820%0.20433%0.332CS..THydrogen-bonded Turntrans-61.9130.2178.4-173.555.2000110.4K213 Q219 D312K213-H310 PolarHBondContact O-ND1 2.98Å; Q219-H310 PolarHBondContact NE2-NE2 3.34Å; H310-D312 PolarHBondContact O-N 3.3Å
311R86.7Confident91.8Very high211 Ų21166.2 Ų66.280%0.79632%0.317SS*.THydrogen-bonded Turntrans77.7-21.7-172.9-53.2176174.8178.5-3.5115.8I309 P313I309-R311 PolarHBondContact O-N 3.05Å; R311-P313 VanDerWaalsContact C-CD 3.47Å; R311-P313 VanDerWaalsContact O-CD 3.29Å; R311-P313 WeakPolarHBondContact O-CD 3.25Å
312D89Confident91.9Very high98 Ų9865 Ų6552%0.52430%0.304SS..EExtended strand (participates in β ladder)trans-12073.3176.3-67.6-49.7000110.7I309 H310 Y314 E315I309-D312 HydrophobicContact CB-CB 4.43Å; I309-D312 HydrophobicContact CG2-CB 4.41Å; I309-D312 CarbonylContact O-C 3.56Å; I309-D312 VanDerWaalsContact O-C 3.23Å; I309-D312 PolarHBondContact O-N 2.82Å; I309-D312 VanDerWaalsContact O-N 3.12Å; H310-D312 PolarHBondContact O-N 3.3Å; D312-Y314 PolarHBondContact O-N 3.44Å; D312-Y314 VanDerWaalsContact O-N 3.09Å; D312-E315 PolarHBondContact O-N 2.81Å; D312-E315 VanDerWaalsContact O-N 3.16Å
313P79.5Confident92Very high57 Ų5762.9 Ų62.937%0.3729%0.291SS..EExtended strand (participates in β ladder)trans-71-8.3-170.329.5-36.6000114.6K213 R311K213-P313 HydrophobicContact CD-CB 4.26Å; R311-P313 VanDerWaalsContact C-CD 3.47Å; R311-P313 VanDerWaalsContact O-CD 3.29Å; R311-P313 WeakPolarHBondContact O-CD 3.25Å
314Y85.5Confident92.1Very high222 Ų22259.1 Ų59.187%0.87127%0.273SS*.EExtended strand (participates in β ladder)trans-81.5-24.3176.4-61.8-76.2000112.1D312D312-Y314 PolarHBondContact O-N 3.44Å; D312-Y314 VanDerWaalsContact O-N 3.09Å
315E91.9Very high92.2Very high123 Ų12354.8 Ų54.858%0.57525%0.25SS*.EExtended strand (participates in β ladder)trans-96.3143.1174.8-66.3-168.6174.500110.3P308 I309 D312P308-E315 WeakPolarHBondContact CA-O 3.45Å; I309-E315 HydrophobicContact CD1-CB 3.83Å; I309-E315 HydrophobicContact CG1-CB 4.34Å; I309-E315 PolarHBondContact N-O 3.13Å; D312-E315 PolarHBondContact O-N 2.81Å; D312-E315 VanDerWaalsContact O-N 3.16Å
316R93.1Very high92.3Very high71 Ų7158.6 Ų58.627%0.26827%0.268SS..EExtended strand (participates in β ladder)trans-133.9146.8-178.3-63.9174.4-179.1-174.9-6.6108.5Y118 N304 E305 M307Y118-R316 VanDerWaalsContact OH-CZ 3.27Å; Y118-R316 PolarHBondContact OH-NH1 2.89Å; Y118-R316 VanDerWaalsContact OH-NH1 3.16Å; N304-R316 WeakPolarHBondContact O-CB 3.29Å; N304-R316 VanDerWaalsContact O-CD 3.24Å; N304-R316 WeakPolarHBondContact O-CD 3.05Å; E305-R316 IonicContact OE2-NH1 2.85Å; M307-R316 WeakPolarHBondContact O-CA 3.42Å
317G92.6Very high92.2Very high10 Ų1065 Ų6510%0.10330%0.297CS..  trans-67.5-162170.100000112.2D255 D256 N304 E305 G306 M307D255-G317 WeakPolarHBondContact O-CA 3.41Å; D256-G317 WeakPolarHBondContact OD1-CA 3.3Å; N304-G317 CarbonylContact C-O 3.49Å; N304-G317 VanDerWaalsContact CA-O 3.26Å; N304-G317 WeakPolarHBondContact CA-O 3.33Å; N304-G317 PolarHBondContact N-O 2.79Å; E305-G317 PolarHBondContact N-O 3.2Å; G306-G317 VanDerWaalsContact CA-C 3.49Å; G306-G317 WeakPolarHBondContact CA-O 3.35Å; G306-G317 PolarHBondContact N-O 3.18Å; M307-G317 PolarHBondContact O-N 3.06Å
318M95.4Very high92Very high72 Ų7267.5 Ų67.536%0.35531%0.313SS..  trans-103.9149.8-177.7-57.4178.6-7000111.2D256 L257 G306D256-M318 WeakPolarHBondContact CA-O 3.34Å; D256-M318 WeakPolarHBondContact CB-O 3.18Å; D256-M318 PolarHBondContact OD1-N 2.99Å; L257-M318 PolarHBondContact N-O 2.78Å; G306-M318 WeakPolarHBondContact CA-O 3.29Å
319L95.8Very high91.9Very high1 Ų175.3 Ų75.31%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-94.8109.5165.4176.265.6000108.5F250 L257 M259 C301 V302 E305 I321F250-L319 HydrophobicContact CD1-CD1 4.06Å; F250-L319 HydrophobicContact CE1-CD1 3.92Å; L257-L319 HydrophobicContact CB-CD1 3.8Å; L257-L319 CarbonylContact O-C 3.45Å; L257-L319 WeakPolarHBondContact O-CA 3.34Å; M259-L319 HydrophobicContact CG-CD1 4.06Å; M259-L319 HydrophobicContact SD-CD1 4.16Å; M259-L319 HydrophobicContact SD-CD2 4.29Å; C301-L319 CarbonylContact C-O 3.58Å; C301-L319 VanDerWaalsContact CA-O 3.26Å; C301-L319 WeakPolarHBondContact CA-O 3.18Å; V302-L319 HydrophobicContact CB-CB 4.28Å; V302-L319 PolarHBondContact N-O 2.98Å; V302-L319 PolarHBondContact O-N 3.27Å; E305-L319 HydrophobicContact CB-CB 4.02Å; L319-I321 HydrophobicContact CD2-CD1 4.15Å; L319-I321 HydrophobicContact CD2-CG1 4.34Å; L319-I321 HydrophobicContact CG-CD1 4.34Å; L319-I321 HydrophobicContact CG-CG1 4.01Å
320I96.4Very high91.6Very high33 Ų3379.9 Ų79.917%0.16937%0.374CS..EExtended strand (participates in β ladder)trans-90.1126.6175.6-56.5173.4000108.1D256 L257 V258 M259 I299D256-I320 HydrophobicContact CB-CD1 4.16Å; L257-I320 PolarHBondContact O-N 2.83Å; V258-I320 CarbonylContact C-O 3.57Å; V258-I320 WeakPolarHBondContact CA-O 3.48Å; V258-I320 HydrophobicContact CG2-CB 4.22Å; V258-I320 HydrophobicContact CG2-CD1 4.3Å; M259-I320 PolarHBondContact N-O 3.05Å; I299-I320 HydrophobicContact CG2-CG2 3.4Å
321I95.8Very high91.5Very high2 Ų285.8 Ų85.81%0.0140%0.401CS..EExtended strand (participates in β ladder)trans-119.6117.5-177.5-53.2179.6000107.7M259 M261 I276 I286 I299 K300 V302 L319 F323M259-I321 HydrophobicContact CG-CB 4.39Å; M259-I321 HydrophobicContact CG-CG1 3.93Å; M259-I321 HydrophobicContact CG-CG2 4.28Å; M259-I321 WeakPolarHBondContact O-CA 3.39Å; M259-I321 HydrophobicContact SD-CD1 4.48Å; M259-I321 HydrophobicContact SD-CG1 4.27Å; M261-I321 HydrophobicContact CB-CG2 3.63Å; M261-I321 HydrophobicContact SD-CG2 4.35Å; I276-I321 HydrophobicContact CD1-CD1 4.24Å; I286-I321 HydrophobicContact CD1-CD1 3.08Å; I299-I321 WeakPolarHBondContact CA-O 3.49Å; K300-I321 PolarHBondContact N-O 2.88Å; K300-I321 PolarHBondContact O-N 2.85Å; V302-I321 HydrophobicContact CG2-CD1 4.2Å; L319-I321 HydrophobicContact CD2-CD1 4.15Å; L319-I321 HydrophobicContact CD2-CG1 4.34Å; L319-I321 HydrophobicContact CG-CD1 4.34Å; L319-I321 HydrophobicContact CG-CG1 4.01Å; I321-F323 HydrophobicContact CB-CE2 4.2Å; I321-F323 HydrophobicContact CB-CZ 4.26Å; I321-F323 HydrophobicContact CG2-CD1 4.42Å; I321-F323 HydrophobicContact CG2-CD2 4.4Å; I321-F323 HydrophobicContact CG2-CE1 3.95Å; I321-F323 HydrophobicContact CG2-CE2 3.92Å; I321-F323 HydrophobicContact CG2-CZ 3.69Å
322Q95.8Very high91.5Very high48 Ų4882.4 Ų82.422%0.22439%0.388CS..EExtended strand (participates in β ladder)trans-93.4119.8171.4-177179.82.300108.7M259 K260 M261 N297M259-Q322 PolarHBondContact O-N 3.14Å; K260-Q322 WeakPolarHBondContact CA-O 3.42Å; K260-Q322 HydrophobicContact CG-CB 4.47Å; M261-Q322 PolarHBondContact N-O 3.38Å; N297-Q322 PolarHBondContact OD1-NE2 3.5Å
323F95.3Very high91.5Very high4 Ų479.2 Ų79.22%0.01837%0.371CS..EExtended strand (participates in β ladder)trans-88.5126.2-179.3-68.7-80.8000111.4M261 I263 F272 I294 N297 D298 K300 I321M261-F323 HydrophobicContact CB-CD1 4.21Å; M261-F323 HydrophobicContact CB-CE1 4.26Å; M261-F323 HydrophobicContact CG-CD1 4.46Å; M261-F323 HydrophobicContact CG-CE1 4.3Å; M261-F323 WeakPolarHBondContact O-CA 3.07Å; M261-F323 HydrophobicContact SD-CD1 4.49Å; M261-F323 HydrophobicContact SD-CE1 3.78Å; I263-F323 HydrophobicContact CD1-CB 4.17Å; I263-F323 HydrophobicContact CD1-CD1 3.89Å; I263-F323 HydrophobicContact CD1-CG 4.3Å; I263-F323 HydrophobicContact CG1-CD1 4.34Å; I263-F323 HydrophobicContact CG2-CD1 3.97Å; I263-F323 HydrophobicContact CG2-CE1 4.36Å; F272-F323 AromaticContact CE1-CE1 3.91Å; F272-F323 HydrophobicContact CE1-CE1 3.91Å; F272-F323 HydrophobicContact CE1-CZ 4.48Å; F272-F323 AromaticContact CZ-CE1 3.56Å; F272-F323 HydrophobicContact CZ-CE1 3.56Å; F272-F323 HydrophobicContact CZ-CZ 4.07Å; I294-F323 HydrophobicContact CD1-CE1 4.49Å; I294-F323 HydrophobicContact CD1-CZ 4.44Å; I294-F323 HydrophobicContact CG2-CB 3.58Å; I294-F323 HydrophobicContact CG2-CD1 4.33Å; I294-F323 HydrophobicContact CG2-CD2 3.85Å; I294-F323 HydrophobicContact CG2-CG 3.64Å; N297-F323 WeakPolarHBondContact CA-O 3.39Å; N297-F323 PolarHBondContact N-O 3.08Å; D298-F323 PolarHBondContact O-N 2.78Å; K300-F323 HydrophobicContact CB-CE2 3.83Å; K300-F323 HydrophobicContact CG-CD2 4.23Å; K300-F323 HydrophobicContact CG-CE2 3.63Å; I321-F323 HydrophobicContact CB-CE2 4.2Å; I321-F323 HydrophobicContact CB-CZ 4.26Å; I321-F323 HydrophobicContact CG2-CD1 4.42Å; I321-F323 HydrophobicContact CG2-CD2 4.4Å; I321-F323 HydrophobicContact CG2-CE1 3.95Å; I321-F323 HydrophobicContact CG2-CE2 3.92Å; I321-F323 HydrophobicContact CG2-CZ 3.69Å
324Q95.4Very high92Very high61 Ų6179.5 Ų79.529%0.28537%0.373SS..EExtended strand (participates in β ladder)trans-106.6114.9169.8-61-166.5-25.400108.2M261 D262 I263 E326M261-Q324 PolarHBondContact O-N 3.36Å; D262-Q324 WeakPolarHBondContact CA-O 3.23Å; D262-Q324 WeakPolarHBondContact OD1-CB 3.29Å; D262-Q324 PolarHBondContact OD1-OE1 3.07Å; I263-Q324 PolarHBondContact N-O 3.26Å; Q324-E326 PolarHBondContact O-N 2.97Å
325V95.1Very high92.1Very high10 Ų1076.9 Ų76.96%0.06137%0.369CS..EExtended strand (participates in β ladder)trans-83.7115.4176.9-177.60000108.6I263 L265 A268 H296 F327I263-V325 HydrophobicContact CD1-CG2 4.12Å; I263-V325 HydrophobicContact CG1-CG2 4.04Å; I263-V325 CarbonylContact O-C 3.5Å; I263-V325 WeakPolarHBondContact O-CA 3.13Å; L265-V325 HydrophobicContact CB-CG1 4.29Å; L265-V325 HydrophobicContact CD1-CG1 4.11Å; A268-V325 HydrophobicContact CB-CG1 4.14Å; A268-V325 HydrophobicContact CB-CG2 3.9Å; H296-V325 HydrophobicContact CB-CB 4.15Å; H296-V325 HydrophobicContact CB-CG2 4.22Å; H296-V325 PolarHBondContact ND1-N 3.27Å; H296-V325 VanDerWaalsContact ND1-N 3.17Å; H296-V325 PolarHBondContact ND1-O 3.36Å; V325-F327 HydrophobicContact CB-CE2 4.45Å; V325-F327 HydrophobicContact CG1-CD2 4.47Å; V325-F327 HydrophobicContact CG1-CE2 4.18Å
326E94.2Very high91.9Very high107 Ų10777.8 Ų77.850%0.537%0.373SS..EExtended strand (participates in β ladder)trans-81.4116.1170.6-68.6-177.4166.800109.2D262 I263 L265 Q324D262-E326 HydrophobicContact CB-CG 4.45Å; I263-E326 PolarHBondContact O-N 2.65Å; L265-E326 PolarHBondContact N-O 2.95Å; L265-E326 VanDerWaalsContact N-O 3.14Å; Q324-E326 PolarHBondContact O-N 2.97Å
327F91.3Very high91.7Very high136 Ų13676.9 Ų76.960%0.59637%0.373SS*.PPolyproline II helixtrans-79.5146171.4-76.1-96.7000109.9L265 V325L265-F327 HydrophobicContact CD1-CD1 4.46Å; L265-F327 HydrophobicContact CD1-CE1 3.95Å; L265-F327 HydrophobicContact CD1-CZ 4.29Å; L265-F327 HydrophobicContact CD2-CD1 4.02Å; L265-F327 HydrophobicContact CD2-CE1 4.1Å; V325-F327 HydrophobicContact CB-CE2 4.45Å; V325-F327 HydrophobicContact CG1-CD2 4.47Å; V325-F327 HydrophobicContact CG1-CE2 4.18Å
328P90.6Very high91.4Very high52 Ų5279.9 Ų79.934%0.33839%0.385SS..PPolyproline II helixtrans-66.6155.7176.331.1-36.6000111.3W332P328-W332 HydrophobicContact CB-CB 4.05Å; P328-W332 HydrophobicContact CB-CD2 3.67Å; P328-W332 HydrophobicContact CB-CE3 4.41Å; P328-W332 HydrophobicContact CB-CG 3.47Å; P328-W332 VanDerWaalsContact CB-CG 3.47Å; P328-W332 HydrophobicContact CG-CD2 3.93Å; P328-W332 VanDerWaalsContact CG-CE2 3.5Å; P328-W332 HydrophobicContact CG-CG 3.93Å; P328-W332 HydrophobicContact CG-CZ2 4.09Å
329E90.5Very high90.9Very high168 Ų16882.8 Ų82.879%0.78540%0.396SS*.PPolyproline II helixtrans-63.9161.4-179.9-64179.1-176.900112.7H331 W332E329-H331 PolarHBondContact O-N 3.46Å; E329-W332 VanDerWaalsContact O-CB 3.31Å; E329-W332 WeakPolarHBondContact O-CB 3.37Å; E329-W332 PolarHBondContact O-N 2.95Å
330N85.7Confident90.5Very high148 Ų14888.3 Ų88.379%0.79142%0.422SS*.THydrogen-bonded Turntrans-57.7137.8174.7-68.4-14.5000110.5W332N330-W332 PolarHBondContact O-N 2.88Å
331H85.3Confident90.1Very high168 Ų16889.7 Ų89.778%0.77843%0.429SS*.THydrogen-bonded Turntrans60.921.8-178.5-46.6-78.2000115.6E329 L333E329-H331 PolarHBondContact O-N 3.46Å; H331-L333 PolarHBondContact O-N 3.42Å
332W87.8Confident89.5Confident139 Ų13992.9 Ų92.953%0.52744%0.444SS..  trans-61.3-27.1177.274.2-81.9000114.3P328 E329 N330 L341P328-W332 HydrophobicContact CB-CB 4.05Å; P328-W332 HydrophobicContact CB-CD2 3.67Å; P328-W332 HydrophobicContact CB-CE3 4.41Å; P328-W332 HydrophobicContact CB-CG 3.47Å; P328-W332 VanDerWaalsContact CB-CG 3.47Å; P328-W332 HydrophobicContact CG-CD2 3.93Å; P328-W332 VanDerWaalsContact CG-CE2 3.5Å; P328-W332 HydrophobicContact CG-CG 3.93Å; P328-W332 HydrophobicContact CG-CZ2 4.09Å; E329-W332 VanDerWaalsContact O-CB 3.31Å; E329-W332 WeakPolarHBondContact O-CB 3.37Å; E329-W332 PolarHBondContact O-N 2.95Å; N330-W332 PolarHBondContact O-N 2.88Å; W332-L341 HydrophobicContact CZ2-CD2 4.35Å
333L88.9Confident89.1Confident31 Ų3199.8 Ų99.816%0.16247%0.468CS..SBendtrans-114.7133.8178.4-168.774.2000109.4H331 L337 M338 L341H331-L333 PolarHBondContact O-N 3.42Å; L333-L337 HydrophobicContact CD1-CB 4.03Å; L333-L337 HydrophobicContact CD1-CD1 4.04Å; L333-L337 HydrophobicContact CD2-CB 3.93Å; L333-L337 HydrophobicContact CG-CB 3.88Å; L333-M338 HydrophobicContact CB-CE 3.78Å; L333-M338 HydrophobicContact CB-SD 4.29Å; L333-M338 HydrophobicContact CD2-CE 4.47Å; L333-M338 HydrophobicContact CD2-SD 3.88Å; L333-M338 WeakPolarHBondContact O-CE 3.33Å; L333-L341 HydrophobicContact CD2-CB 4.3Å; L333-L341 HydrophobicContact CD2-CD2 4.37Å
334P89.6Confident88.7Confident64 Ų64106.7 Ų106.742%0.41650%0.504SS..  trans-58.4143.1172.4-24.933.7000112.7H336 L337 M338P334-H336 VanDerWaalsContact C-N 3.26Å; P334-H336 WeakPolarHBondContact CB-CE1 3.5Å; P334-H336 WeakPolarHBondContact CB-ND1 3.22Å; P334-H336 PolarHBondContact O-N 3.39Å; P334-H336 VanDerWaalsContact O-N 3.15Å; P334-L337 HydrophobicContact CG-CD1 4.38Å; P334-L337 PolarHBondContact O-N 3.42Å; P334-M338 PolarHBondContact O-N 2.94Å
335E87.4Confident88.2Confident166 Ų166107.7 Ų107.778%0.77651%0.511SS*.Hα-helixtrans-54.2-38.8-177-68.2177.2-174.100113.5L337 M338E335-L337 PolarHBondContact O-N 3.26Å; E335-L337 VanDerWaalsContact O-N 3.17Å; E335-M338 WeakPolarHBondContact O-CB 3.35Å; E335-M338 PolarHBondContact O-N 3.03Å
336H88Confident87.7Confident143 Ų143112.5 Ų112.566%0.66254%0.542SS*.Hα-helixtrans-65.5-18.6179.766.7-87.5000114.1P334P334-H336 VanDerWaalsContact C-N 3.26Å; P334-H336 WeakPolarHBondContact CB-CE1 3.5Å; P334-H336 WeakPolarHBondContact CB-ND1 3.22Å; P334-H336 PolarHBondContact O-N 3.39Å; P334-H336 VanDerWaalsContact O-N 3.15Å
337L89.6Confident87.2Confident52 Ų52113.1 Ų113.127%0.27256%0.556SS.*Hα-helixtrans-95.6-9.9175.6-64.3176.9000112.7L333 P334 E335 F339 Q340 L341L333-L337 HydrophobicContact CD1-CB 4.03Å; L333-L337 HydrophobicContact CD1-CD1 4.04Å; L333-L337 HydrophobicContact CD2-CB 3.93Å; L333-L337 HydrophobicContact CG-CB 3.88Å; P334-L337 HydrophobicContact CG-CD1 4.38Å; P334-L337 PolarHBondContact O-N 3.42Å; E335-L337 PolarHBondContact O-N 3.26Å; E335-L337 VanDerWaalsContact O-N 3.17Å; L337-F339 VanDerWaalsContact C-N 3.28Å; L337-F339 PolarHBondContact O-N 2.85Å; L337-Q340 WeakPolarHBondContact O-CB 3.32Å; L337-Q340 PolarHBondContact O-N 3Å; L337-L341 PolarHBondContact O-N 3.23Å
338M85.3Confident86.6Confident73 Ų73115.4 Ų115.436%0.3656%0.561SS.*Hα-helixtrans-61.7-37.1179.6-70.6-66.1-175.500112.3L333 P334 E335 Q340 L341 E342L333-M338 HydrophobicContact CB-CE 3.78Å; L333-M338 HydrophobicContact CB-SD 4.29Å; L333-M338 HydrophobicContact CD2-CE 4.47Å; L333-M338 HydrophobicContact CD2-SD 3.88Å; L333-M338 WeakPolarHBondContact O-CE 3.33Å; P334-M338 PolarHBondContact O-N 2.94Å; E335-M338 WeakPolarHBondContact O-CB 3.35Å; E335-M338 PolarHBondContact O-N 3.03Å; M338-Q340 PolarHBondContact O-N 3.03Å; M338-L341 WeakPolarHBondContact O-CB 3.16Å; M338-L341 PolarHBondContact O-N 3.13Å; M338-L341 VanDerWaalsContact O-N 3.12Å; M338-L341 HydrophobicContact SD-CD2 4.45Å; M338-E342 PolarHBondContact O-N 3.26Å
339F85Confident86.2Confident132 Ų132121.5 Ų121.558%0.57959%0.585SS**Hα-helixtrans-61.2-32.7175.1-179.2-103.9000112.6L337 R343L337-F339 VanDerWaalsContact C-N 3.28Å; L337-F339 PolarHBondContact O-N 2.85Å; F339-R343 HydrophobicContact CE1-CG 4.25Å; F339-R343 HydrophobicContact CZ-CG 4.27Å; F339-R343 WeakPolarHBondContact O-CG 3.35Å; F339-R343 PolarHBondContact O-N 2.9Å
340Q88.2Confident85.5Confident118 Ų118121.1 Ų121.155%0.55159%0.588SS**Hα-helixtrans-70.6-38.7175.7-61.5-1760.500111.4L337 M338 R343 L344L337-Q340 WeakPolarHBondContact O-CB 3.32Å; L337-Q340 PolarHBondContact O-N 3Å; M338-Q340 PolarHBondContact O-N 3.03Å; Q340-R343 PolarHBondContact O-N 2.93Å; Q340-L344 WeakPolarHBondContact O-CG 3.37Å
341L86.3Confident85.2Confident61 Ų61119.2 Ų119.232%0.31958%0.581SS.*Hα-helixtrans-64.7-44175.4-17866.3000111.2W332 L333 L337 M338 R343 L344 L345W332-L341 HydrophobicContact CZ2-CD2 4.35Å; L333-L341 HydrophobicContact CD2-CB 4.3Å; L333-L341 HydrophobicContact CD2-CD2 4.37Å; L337-L341 PolarHBondContact O-N 3.23Å; M338-L341 WeakPolarHBondContact O-CB 3.16Å; M338-L341 PolarHBondContact O-N 3.13Å; M338-L341 VanDerWaalsContact O-N 3.12Å; M338-L341 HydrophobicContact SD-CD2 4.45Å; L341-R343 VanDerWaalsContact C-N 3.3Å; L341-R343 PolarHBondContact O-N 2.81Å; L341-L344 PolarHBondContact O-N 3.42Å; L341-L345 HydrophobicContact CD1-CD1 4.32Å; L341-L345 HydrophobicContact CG-CD1 4.06Å; L341-L345 PolarHBondContact O-N 3.33Å
342E84.8Confident84.9Confident69 Ų69119.2 Ų119.232%0.32258%0.583SS.*Hα-helixtrans-60-39.3178.5-174.9169.2-162.100112.2M338 L344 L345 R348M338-E342 PolarHBondContact O-N 3.26Å; E342-L344 PolarHBondContact O-N 2.85Å; E342-L345 PolarHBondContact O-N 3.44Å; E342-R348 WeakPolarHBondContact OE1-CD 3.13Å; E342-R348 IonicContact OE1-CZ 3.09Å; E342-R348 IonicContact OE1-NE 2.79Å; E342-R348 PolarHBondContact OE1-NE 2.8Å; E342-R348 IonicContact OE1-NH1 3.13Å
343R87.6Confident84.6Confident194 Ų194119.4 Ų119.473%0.73259%0.593SS**THydrogen-bonded Turntrans-63.9-20.8175.3-75.9-178.867.2-177.93114.5F339 Q340 L341F339-R343 HydrophobicContact CE1-CG 4.25Å; F339-R343 HydrophobicContact CZ-CG 4.27Å; F339-R343 WeakPolarHBondContact O-CG 3.35Å; F339-R343 PolarHBondContact O-N 2.9Å; Q340-R343 PolarHBondContact O-N 2.93Å; L341-R343 VanDerWaalsContact C-N 3.3Å; L341-R343 PolarHBondContact O-N 2.81Å
344L85.7Confident84.4Confident148 Ų148121 Ų12178%0.77560%0.604SS**THydrogen-bonded Turntrans-94.4-15.4-179.2-64.4172.8000112.6Q340 L341 E342Q340-L344 WeakPolarHBondContact O-CG 3.37Å; L341-L344 PolarHBondContact O-N 3.42Å; E342-L344 PolarHBondContact O-N 2.85Å
345L86.4Confident83.9Confident83 Ų83127.8 Ų127.844%0.43563%0.631SS.*SBendtrans-100.4166.3-179.6-68.4176.5000110.9L269 L341 E342L269-L345 HydrophobicContact CD1-CD2 4.49Å; L341-L345 HydrophobicContact CD1-CD1 4.32Å; L341-L345 HydrophobicContact CG-CD1 4.06Å; L341-L345 PolarHBondContact O-N 3.33Å; E342-L345 PolarHBondContact O-N 3.44Å
346P83.8Confident83.7Confident110 Ų110126.4 Ų126.471%0.71463%0.629SS**PPolyproline II helixtrans-53.5142.6172-25.735.3000111.5
347P83Confident83.5Confident120 Ų120124.3 Ų124.378%0.77962%0.62SS**PPolyproline II helixtrans-61.3145-178.727-34.3000110.4
348R79.4Confident83.2Confident185 Ų185130.4 Ų130.470%0.69865%0.647SS**PPolyproline II helixtrans-64.1145.9171.8-65.5-175.3179.1177.12.9109.6E342 D350E342-R348 WeakPolarHBondContact OE1-CD 3.13Å; E342-R348 IonicContact OE1-CZ 3.09Å; E342-R348 IonicContact OE1-NE 2.79Å; E342-R348 PolarHBondContact OE1-NE 2.8Å; E342-R348 IonicContact OE1-NH1 3.13Å; R348-D350 PolarHBondContact O-N 3.12Å
349E80.9Confident83.1Confident180 Ų180135.9 Ų135.984%0.84167%0.672SS**PPolyproline II helixtrans-74.9120167.9-70.5-177.617500108.5V351E349-V351 PolarHBondContact O-N 3.23Å
350D76.2Confident83.2Confident159 Ų159135.1 Ų135.185%0.8568%0.678SS**  trans-75.1103.5174.6-70.2-35.2000108.9R348R348-D350 PolarHBondContact O-N 3.12Å
351V80.6Confident83Confident108 Ų108136.6 Ų136.666%0.65569%0.69SS**  trans-86.6118.1173.7-176.70000108.6E349 I353E349-V351 PolarHBondContact O-N 3.23Å; V351-I353 PolarHBondContact O-N 3.16Å
352M78.1Confident82.8Confident168 Ų168142.2 Ų142.283%0.82872%0.719SS**  trans-73.5110.1171-68.5-168.4-177.400109.2
353I81.1Confident82.6Confident143 Ų143144.1 Ų144.173%0.73374%0.739SS**  trans-81.1117.7175.3-54.2172.1000107.9V351 M357V351-I353 PolarHBondContact O-N 3.16Å; I353-M357 HydrophobicContact CG2-CB 4.15Å; I353-M357 HydrophobicContact CG2-SD 4.33Å
354T84.8Confident82.3Confident64 Ų64144.1 Ų144.139%0.39375%0.747SS.*  trans-99.1161.1176.749.70000110.8D356 M357T354-D356 WeakPolarHBondContact CB-OD1 3.49Å; T354-D356 PolarHBondContact O-N 3.27Å; T354-D356 VanDerWaalsContact O-N 3.09Å; T354-D356 PolarHBondContact OG1-OD1 2.92Å; T354-M357 WeakPolarHBondContact O-CB 3.14Å; T354-M357 PolarHBondContact O-N 2.78Å; T354-M357 WeakPolarHBondContact OG1-CE 3.49Å
355E80Confident82.2Confident207 Ų207141.9 Ų141.997%0.96774%0.739SS**THydrogen-bonded Turntrans-63.1-15.8-174.5-65.4-178.1175.500114.3M357E355-M357 VanDerWaalsContact C-N 3.33Å
356D83.3Confident81.8Confident138 Ų138142.4 Ų142.474%0.73874%0.743SS**THydrogen-bonded Turntrans-85.2-0.1174.657.9-42.9000113.9T354T354-D356 WeakPolarHBondContact CB-OD1 3.49Å; T354-D356 PolarHBondContact O-N 3.27Å; T354-D356 VanDerWaalsContact O-N 3.09Å; T354-D356 PolarHBondContact OG1-OD1 2.92Å
357M83.8Confident81.4Confident98 Ų98143.2 Ų143.248%0.48374%0.74SS.*PPolyproline II helixtrans-96.9127.7178.1-60.3-174.9178.300111.7I353 T354 E355I353-M357 HydrophobicContact CG2-CB 4.15Å; I353-M357 HydrophobicContact CG2-SD 4.33Å; T354-M357 WeakPolarHBondContact O-CB 3.14Å; T354-M357 PolarHBondContact O-N 2.78Å; T354-M357 WeakPolarHBondContact OG1-CE 3.49Å; E355-M357 VanDerWaalsContact C-N 3.33Å
358E83.8Confident80.8Confident180 Ų180143.3 Ų143.384%0.84173%0.734SS**PPolyproline II helixtrans-88.2128.1174-67.2-179.417700110.8
359E81.6Confident80Confident189 Ų189136.9 Ų136.988%0.88372%0.717SS**PPolyproline II helixtrans-78.9129.6173.2-170.7172.2-167.200109.9
360V87.7Confident79Confident115 Ų115133.2 Ų133.270%0.69770%0.701SS**  trans-128.3135.9-179.3-65.90000110.7
361D84.9Confident78.2Confident149 Ų149132.5 Ų132.580%0.79769%0.692SS**  trans-83.1133.3176-67.9-44.2000111.1C363D361-C363 PolarHBondContact O-N 3.13Å
362L80.9Confident77.1Confident180 Ų180135.2 Ų135.294%0.94270%0.695SS**  trans-72.9123.5170.9-67.8171.5000109.8
363C81.8Confident76.1Confident108 Ų108135.9 Ų135.973%0.7369%0.688SS**  trans-108147.9172.4-66.60000110.6D361 V365D361-C363 PolarHBondContact O-N 3.13Å; C363-V365 PolarHBondContact O-N 2.8Å
364E80.6Confident74.9Confident194 Ų194137.5 Ų137.591%0.90769%0.686SS**  trans-64.4132171.1-67.5-172.1170.400110.3D366E364-D366 PolarHBondContact O-N 3.39Å
365V82.8Confident73.4Confident101 Ų101140.3 Ų140.361%0.61270%0.695SS**  trans-84108.6178.5-179.90000109.3C363 L367C363-V365 PolarHBondContact O-N 2.8Å; V365-L367 HydrophobicContact CG1-CD2 3.79Å; V365-L367 HydrophobicContact CG1-CG 4.14Å; V365-L367 PolarHBondContact O-N 3.03Å
366D79.4Confident72Confident95 Ų95138.6 Ų138.651%0.50868%0.68SS.*  trans-80.792.9165.5-179.58.7000110.1E364 N368 S369 Q370E364-D366 PolarHBondContact O-N 3.39Å; D366-N368 PolarHBondContact O-N 3.38Å; D366-N368 VanDerWaalsContact O-N 3.14Å; D366-N368 WeakPolarHBondContact OD1-CB 3.39Å; D366-N368 PolarHBondContact OD1-N 3.14Å; D366-S369 PolarHBondContact O-N 2.87Å; D366-S369 VanDerWaalsContact O-N 3.08Å; D366-S369 PolarHBondContact O-OG 2.82Å; D366-S369 WeakPolarHBondContact OD2-CB 3.18Å; D366-Q370 PolarHBondContact O-N 3.18Å
367L74.7Confident70.4Confident127 Ų127137.7 Ų137.767%0.66567%0.671SS**Hα-helixtrans-58.9-23.5179.4-67.5169.7000113.4V365V365-L367 HydrophobicContact CG1-CD2 3.79Å; V365-L367 HydrophobicContact CG1-CG 4.14Å; V365-L367 PolarHBondContact O-N 3.03Å
368N71.5Confident68.8Low121 Ų121136.2 Ų136.265%0.64767%0.674SS**Hα-helixtrans-76.3-29.9177.9-113.11000112.3D366D366-N368 PolarHBondContact O-N 3.38Å; D366-N368 VanDerWaalsContact O-N 3.14Å; D366-N368 WeakPolarHBondContact OD1-CB 3.39Å; D366-N368 PolarHBondContact OD1-N 3.14Å
369S62.2Low67.4Low50 Ų50135.8 Ų135.835%0.3567%0.666SS.*Hα-helixtrans-74.6-30.4176.973.50000112.6D366 K372 R373D366-S369 PolarHBondContact O-N 2.87Å; D366-S369 VanDerWaalsContact O-N 3.08Å; D366-S369 PolarHBondContact O-OG 2.82Å; D366-S369 WeakPolarHBondContact OD2-CB 3.18Å; S369-K372 PolarHBondContact O-N 3.46Å; S369-R373 PolarHBondContact O-N 2.88Å
370Q59.1Low65.8Low104 Ų104132.4 Ų132.449%0.48665%0.65SS.*Hα-helixtrans-70-38.4178.6-78.2-160.7-6.700113.3D366 K372 R373 Y374D366-Q370 PolarHBondContact O-N 3.18Å; Q370-K372 PolarHBondContact O-N 3.28Å; Q370-R373 PolarHBondContact O-N 3.46Å; Q370-Y374 PolarHBondContact O-N 2.81Å
371Q59Low63.8Low144 Ų144135.6 Ų135.667%0.67366%0.658SS**Hα-helixtrans-61.4-33.5175.5-83.6-176.3-11.600112.5H375Q371-H375 PolarHBondContact O-N 3.47Å
372K57.8Low62.1Low165 Ų165137 Ų13772%0.71766%0.659SS**Hα-helixtrans-72.7-30.8176.4-72.3-178.6-179.4174.50113.4S369 Q370 R376S369-K372 PolarHBondContact O-N 3.46Å; Q370-K372 PolarHBondContact O-N 3.28Å; K372-R376 PolarHBondContact O-N 3.13Å
373R56.9Low60.5Low182 Ų182136.6 Ų136.669%0.68765%0.653SS**Hα-helixtrans-72.2-45.8177.1-74.8-171.9-179.8-177.31.2111.8S369 Q370 H375 R376 E377S369-R373 PolarHBondContact O-N 2.88Å; Q370-R373 PolarHBondContact O-N 3.46Å; R373-H375 PolarHBondContact O-N 3.11Å; R373-R376 PolarHBondContact O-N 2.9Å; R373-E377 PolarHBondContact O-N 2.91Å; R373-E377 VanDerWaalsContact O-N 3.08Å
374Y56.6Low58.8Low177 Ų177141 Ų14169%0.69466%0.663SS**Hα-helixtrans-57.9-37.3174-97.2-85.7000112.7Q370 R376 A378Q370-Y374 PolarHBondContact O-N 2.81Å; Y374-R376 VanDerWaalsContact C-N 3.28Å; Y374-R376 PolarHBondContact O-N 3.25Å; Y374-A378 PolarHBondContact O-N 3.2Å
375H53.4Low57.2Low123 Ų123134.1 Ų134.157%0.56964%0.644SS**Hα-helixtrans-74.9-17.2178.8-134.8-52000113.8Q371 R373 Y379Q371-H375 PolarHBondContact O-N 3.47Å; R373-H375 PolarHBondContact O-N 3.11Å; H375-Y379 AromaticContact ND1-CE2 3.69Å; H375-Y379 WeakPolarHBondContact O-CD2 3.44Å
376R50.5Low55.3Low171 Ų171135.8 Ų135.865%0.64566%0.656SS**Hα-helixtrans-89.7-41178.7-173.1177.1179.4162.54.7111.8K372 R373 Y374 A378 Y379 E380K372-R376 PolarHBondContact O-N 3.13Å; R373-R376 PolarHBondContact O-N 2.9Å; Y374-R376 VanDerWaalsContact C-N 3.28Å; Y374-R376 PolarHBondContact O-N 3.25Å; R376-A378 VanDerWaalsContact C-N 3.27Å; R376-A378 PolarHBondContact O-N 3.11Å; R376-Y379 PolarHBondContact O-N 3.03Å; R376-Y379 VanDerWaalsContact O-N 3.11Å; R376-E380 IonicContact CZ-OE1 2.99Å; R376-E380 IonicContact NE-OE1 3.82Å; R376-E380 PolarHBondContact NE-OE1 3.5Å; R376-E380 IonicContact NH2-OE1 3.05Å; R376-E380 PolarHBondContact O-N 2.83Å
377E48.9Very low53.8Low118 Ų118143.2 Ų143.255%0.55168%0.677SS**Hα-helixtrans-63.3-33.4176.3-72.6171.5178.100111.9R373 Y379 E380 E381R373-E377 PolarHBondContact O-N 2.91Å; R373-E377 VanDerWaalsContact O-N 3.08Å; E377-Y379 PolarHBondContact O-N 2.91Å; E377-Y379 VanDerWaalsContact O-N 3.15Å; E377-E380 PolarHBondContact O-N 2.87Å; E377-E380 VanDerWaalsContact O-N 3.12Å; E377-E381 PolarHBondContact O-N 3.12Å
378A51.6Low52Low68 Ų68140.3 Ų140.356%0.56268%0.679SS**Hα-helixtrans-64.4-14.3174.500000114.9Y374 R376Y374-A378 PolarHBondContact O-N 3.2Å; R376-A378 VanDerWaalsContact C-N 3.27Å; R376-A378 PolarHBondContact O-N 3.11Å
379Y53Low50.7Low170 Ų170138.2 Ų138.267%0.66769%0.686SS**Hα-helixtrans-107.6-9173.4-70.4-75.6000113.3H375 R376 E377H375-Y379 AromaticContact ND1-CE2 3.69Å; H375-Y379 WeakPolarHBondContact O-CD2 3.44Å; R376-Y379 PolarHBondContact O-N 3.03Å; R376-Y379 VanDerWaalsContact O-N 3.11Å; E377-Y379 PolarHBondContact O-N 2.91Å; E377-Y379 VanDerWaalsContact O-N 3.15Å
380E47.8Very low49.5Very low118 Ų118142.2 Ų142.255%0.55171%0.708SS**Hα-helixtrans-92.1-16.3179.7-74.7178.7-171.400112.4R376 E377R376-E380 IonicContact CZ-OE1 2.99Å; R376-E380 IonicContact NE-OE1 3.82Å; R376-E380 PolarHBondContact NE-OE1 3.5Å; R376-E380 IonicContact NH2-OE1 3.05Å; R376-E380 PolarHBondContact O-N 2.83Å; E377-E380 PolarHBondContact O-N 2.87Å; E377-E380 VanDerWaalsContact O-N 3.12Å
381E47.2Very low48.9Very low183 Ų183146.5 Ų146.586%0.85573%0.727SS**THydrogen-bonded Turntrans-77.6-11.6174.4-81.8-170.3164.400115.1E377E377-E381 PolarHBondContact O-N 3.12Å
382E48.2Very low47.8Very low177 Ų177145.4 Ų145.483%0.82774%0.735SS**THydrogen-bonded Turntrans-93.5-0.7178.9-72.8-166.916800114.4
383E47.6Very low46.9Very low173 Ų173145.9 Ų145.981%0.80874%0.739SS**  trans-106.719-172.8-122-173.2-17200116.3
384E46.9Very low46Very low201 Ų201142.8 Ų142.894%0.93974%0.741SS**  trans-109.155.1164.1-81.1-166.2155.500112.4
385G46.7Very low45.2Very low49 Ų49147.1 Ų147.151%0.50577%0.767SS.*SBendtrans-93.5144.5161.200000111.2R387G385-R387 PolarHBondContact O-N 2.53Å
386P41.7Very low44.8Very low135 Ų135148.3 Ų148.388%0.87778%0.777SS**  trans-61.9123.4-174.1-12.224.5000110.8G388P386-G388 PolarHBondContact O-N 3.26Å
387R47.6Very low44.5Very low251 Ų251147.1 Ų147.195%0.94778%0.784SS**  trans-64.682.2169-71.1-175.3176.7-175.5-0.3110.1G385 G389G385-R387 PolarHBondContact O-N 2.53Å; R387-G389 PolarHBondContact O-N 3.38Å
388G37.2Very low44.2Very low67 Ų67148.7 Ų148.769%0.69180%0.797SS**  trans-7991.716500000109.5P386 V390P386-G388 PolarHBondContact O-N 3.26Å; G388-V390 PolarHBondContact O-N 3.13Å
389G43.8Very low43.8Very low77 Ų77153.5 Ų153.579%0.79481%0.811SS**  trans-64.2128.5171.800000111.1R387R387-G389 PolarHBondContact O-N 3.38Å
390V38.6Very low43.2Very low134 Ų134152.4 Ų152.481%0.81282%0.82SS**  trans-130.5106.5159.6-143.30000107.5G388G388-V390 PolarHBondContact O-N 3.13Å
391Q44.9Very low42.9Very low193 Ų193154.7 Ų154.790%0.90284%0.838SS**  trans-94.8116.4177.4-158.7175.919.200107.1
392C36.2Very low42.6Very low122 Ų122152.7 Ų152.782%0.82484%0.837SS**  trans-123.699.6169.1-68.70000109.8
393Q38.9Very low42.2Very low174 Ų174150.8 Ų150.881%0.81384%0.837SS**  trans-89.5149.6142.2-89.9-174.2-11.200106
394T39.6Very low41.7Very low118 Ų118149 Ų14972%0.72484%0.84SS**  cis-172.4148.820.47.40000107
395Q38.3Very low41.2Very low267 Ų267144.3 Ų144.3100%1.24883%0.831SS**  -173.20108.5-103.2-173.21700110.8

Retrieved 395 of 395 residues in 61.8 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).