A0A096LTM5_POEFO Loading...

Adaptor related protein complex 2 subunit mu 1a

Component of the adaptor complexes which link clathrin to receptors in coated vesicles. Clathrin-associated protein complexes are believed to interact with the cytoplasmic tails of membrane proteins, leading to their selection and concentration. AP50 is a subunit of the plasma membrane adaptor. The complex binds polyphosphoinositide-containing lipids.

AlphaFold DB , UniProt , Accession A0A096LTM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 aa.

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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
1M91.4Very high94.9Very high37 Ų3723.2 Ų23.218%0.18211%0.106CC..  0172.50-67.3-39.7-83.200111.4G3 T69 V73 M77 G119 Y120M1-G3 PolarHBondContact O-N 3.15Å; M1-T69 PolarHBondContact O-OG1 3.08Å; M1-V73 VanDerWaalsContact N-CG1 3.3Å; M1-M77 HydrophobicContact CE-SD 3.76Å; M1-G119 WeakPolarHBondContact CB-O 3.43Å; M1-G119 WeakPolarHBondContact CE-O 3.38Å; M1-Y120 HydrophobicContact CB-CE1 4.41Å; M1-Y120 HydrophobicContact CE-CD1 3.79Å; M1-Y120 HydrophobicContact CE-CE1 4.4Å; M1-Y120 HydrophobicContact CE-CG 4.35Å; M1-Y120 HydrophobicContact CG-CD1 3.51Å; M1-Y120 HydrophobicContact CG-CD2 4.41Å; M1-Y120 HydrophobicContact CG-CE1 3.27Å; M1-Y120 HydrophobicContact CG-CE2 4.26Å; M1-Y120 HydrophobicContact CG-CG 4.06Å; M1-Y120 HydrophobicContact SD-CD1 4.18Å; M1-Y120 HydrophobicContact SD-CE1 4.2Å
2I95.8Very high94.6Very high4 Ų421.4 Ų21.42%0.02110%0.099CC..  trans-66.1131-174.4-61.2172.6000109.1A67 V78 F81 L116 G119I2-A67 HydrophobicContact CG2-CB 4.13Å; I2-V78 HydrophobicContact CD1-CG1 4.18Å; I2-V78 HydrophobicContact CD1-CG2 4.22Å; I2-V78 HydrophobicContact CG1-CG1 4.5Å; I2-V78 HydrophobicContact CG1-CG2 4.06Å; I2-F81 HydrophobicContact CD1-CD1 3.94Å; I2-F81 HydrophobicContact CD1-CE1 4.39Å; I2-L116 HydrophobicContact CB-CD2 4.47Å; I2-L116 HydrophobicContact CD1-CD1 4.31Å; I2-L116 HydrophobicContact CD1-CD2 4.35Å; I2-L116 HydrophobicContact CG2-CD2 4.31Å; I2-G119 PolarHBondContact N-O 3.36Å; I2-G119 WeakPolarHBondContact O-CA 3.45Å
3G94.9Very high94.5Very high1 Ų127.4 Ų27.41%0.0113%0.127CC..  trans-94.4-32.4-177.100000113.8M1 Y20 R21 I24 V68M1-G3 PolarHBondContact O-N 3.15Å; G3-Y20 PolarHBondContact O-N 3.09Å; G3-R21 PolarHBondContact O-N 2.96Å; G3-I24 VanDerWaalsContact C-CG1 3.47Å; G3-V68 WeakPolarHBondContact CA-O 3.33Å; G3-V68 PolarHBondContact N-O 2.76Å
4G96.1Very high94.6Very high0 Ų029.7 Ų29.70%014%0.144CC..EExtended strand (participates in β ladder)trans-158.7154.9175.300000111.4R18 A67 V68G4-R18 CarbonylContact C-O 3.55Å; G4-R18 WeakPolarHBondContact CA-O 3.49Å; G4-A67 CarbonylContact O-C 3.53Å; G4-A67 WeakPolarHBondContact O-CA 3.49Å; G4-V68 PolarHBondContact N-O 2.9Å; G4-V68 PolarHBondContact O-N 3.32Å
5L96.9Very high94.7Very high0 Ų028.8 Ų28.80%014%0.14CC..EExtended strand (participates in β ladder)trans-130.7128176.5-168.5144.7000109.5I7 R18 Y20 A66 F81 L82 M85 L112L5-I7 HydrophobicContact CD2-CG1 4.21Å; L5-R18 PolarHBondContact N-O 3.12Å; L5-R18 PolarHBondContact O-N 3.06Å; L5-R18 VanDerWaalsContact O-O 3.13Å; L5-Y20 HydrophobicContact CB-CE2 4.08Å; L5-A66 WeakPolarHBondContact CA-O 3.32Å; L5-F81 HydrophobicContact CD1-CD1 4.47Å; L5-F81 HydrophobicContact CD1-CE1 3.58Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; L5-L82 HydrophobicContact CD1-CD2 3.99Å; L5-M85 HydrophobicContact CD1-SD 3.7Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.87Å; L5-M85 HydrophobicContact CG-SD 4.44Å; L5-L112 HydrophobicContact CD1-CD2 4.47Å; L5-L112 HydrophobicContact CD2-CD1 4.39Å; L5-L112 HydrophobicContact CD2-CD2 4.1Å
6F96.6Very high94.8Very high2 Ų227.1 Ų27.11%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-130.9139.1-175.2-51.2-73.8000109.8Y8 I16 S17 V19 I24 V29 A66 V68F6-Y8 HydrophobicContact CB-CD2 4.23Å; F6-Y8 HydrophobicContact CB-CE2 3.35Å; F6-Y8 WeakPolarHBondContact CB-OH 3.1Å; F6-Y8 HydrophobicContact CG-CE2 4.37Å; F6-I16 WeakPolarHBondContact CA-O 3.44Å; F6-S17 WeakPolarHBondContact CE1-OG 3.45Å; F6-V19 HydrophobicContact CE1-CG2 4.08Å; F6-V19 HydrophobicContact CZ-CG2 4.1Å; F6-I24 HydrophobicContact CE2-CG2 4.11Å; F6-I24 HydrophobicContact CZ-CG2 3.84Å; F6-V29 HydrophobicContact CD1-CG2 3.73Å; F6-V29 HydrophobicContact CD2-CG2 4.43Å; F6-V29 HydrophobicContact CE1-CG2 3.39Å; F6-V29 HydrophobicContact CE2-CG2 4.13Å; F6-V29 HydrophobicContact CG-CG2 4.26Å; F6-V29 HydrophobicContact CZ-CG2 3.61Å; F6-A66 PolarHBondContact N-O 3.32Å; F6-A66 PolarHBondContact O-N 3.14Å; F6-V68 HydrophobicContact CD2-CB 4.46Å; F6-V68 HydrophobicContact CD2-CG2 3.57Å; F6-V68 HydrophobicContact CE2-CB 3.98Å; F6-V68 HydrophobicContact CE2-CG2 3.52Å
7I97.2Very high94.8Very high1 Ų128.5 Ų28.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-114.2127.4172.5-52.9-177.5000107.8L5 L15 I16 I63 W64 L65 M85 M89 I101L5-I7 HydrophobicContact CD2-CG1 4.21Å; I7-L15 HydrophobicContact CG2-CB 4.49Å; I7-L15 PolarHBondContact O-N 3.12Å; I7-I16 HydrophobicContact CB-CB 3.93Å; I7-I16 HydrophobicContact CB-CG1 4.27Å; I7-I16 HydrophobicContact CD1-CB 3.99Å; I7-I16 HydrophobicContact CD1-CG1 3.88Å; I7-I16 HydrophobicContact CG1-CB 3.92Å; I7-I16 HydrophobicContact CG1-CG1 4.31Å; I7-I16 PolarHBondContact N-O 2.88Å; I7-I16 PolarHBondContact O-N 3.24Å; I7-I63 HydrophobicContact CG2-CG2 3.35Å; I7-W64 CarbonylContact C-O 3.57Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.32Å; I7-L65 HydrophobicContact CG1-CG 4.28Å; I7-M85 HydrophobicContact CD1-CE 3.71Å; I7-M85 HydrophobicContact CG1-CE 4.42Å; I7-M89 HydrophobicContact CD1-CE 3.79Å; I7-I101 HydrophobicContact CG2-CD1 3.85Å
8Y96Very high94.9Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-118.8151.7-179.4-51.3-101.5000111.4F6 E13 V14 V29 F32 I37 I63 W64 A66F6-Y8 HydrophobicContact CB-CD2 4.23Å; F6-Y8 HydrophobicContact CB-CE2 3.35Å; F6-Y8 WeakPolarHBondContact CB-OH 3.1Å; F6-Y8 HydrophobicContact CG-CE2 4.37Å; Y8-E13 CarbonylContact C-O 3.55Å; Y8-E13 WeakPolarHBondContact CA-O 3.4Å; Y8-V14 HydrophobicContact CD1-CG2 3.87Å; Y8-V14 HydrophobicContact CE1-CG2 3.58Å; Y8-V29 HydrophobicContact CE1-CG1 3.87Å; Y8-V29 WeakPolarHBondContact OH-CA 3.37Å; Y8-F32 AromaticContact CD2-CD1 3.79Å; Y8-F32 HydrophobicContact CD2-CD1 3.79Å; Y8-F32 AromaticContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CE1-CD1 4.32Å; Y8-F32 AromaticContact CE2-CD1 3.37Å; Y8-F32 HydrophobicContact CE2-CD1 3.37Å; Y8-F32 AromaticContact CE2-CE1 3.76Å; Y8-F32 HydrophobicContact CE2-CE1 3.76Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.44Å; Y8-F32 AromaticContact CZ-CD1 3.69Å; Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.32Å; Y8-I37 HydrophobicContact CG-CD1 3.8Å; Y8-I63 WeakPolarHBondContact O-CA 3.05Å; Y8-W64 HydrophobicContact CD2-CB 4.44Å; Y8-W64 PolarHBondContact N-O 3.35Å; Y8-W64 PolarHBondContact O-N 2.74Å; Y8-A66 HydrophobicContact CE2-CB 3.92Å
9N95.1Very high94.9Very high0 Ų033.1 Ų33.10%017%0.166CC..  trans-82-179.5164.872.210.4000111.6K11 G12 E13 L15 N62 E98N9-K11 PolarHBondContact O-N 3.2Å; N9-K11 WeakPolarHBondContact OD1-CA 3.05Å; N9-K11 WeakPolarHBondContact OD1-CB 3.12Å; N9-K11 PolarHBondContact OD1-N 3.08Å; N9-G12 PolarHBondContact O-N 2.85Å; N9-G12 PolarHBondContact OD1-N 2.83Å; N9-E13 PolarHBondContact N-O 3.47Å; N9-E13 PolarHBondContact ND2-OE2 2.89Å; N9-E13 PolarHBondContact OD1-N 2.8Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.35Å; N9-L15 HydrophobicContact CB-CG 4.28Å; N9-N62 CarbonylContact C-O 3.53Å; N9-E98 WeakPolarHBondContact CB-OE2 3.34Å; N9-E98 PolarHBondContact ND2-OE2 3.24Å
10H91.3Very high94.9Very high96 Ų9632.5 Ų32.544%0.44416%0.162SC..THydrogen-bonded Turntrans-63.5-23179.767.7-74.6000114.3G12 N62H10-G12 VanDerWaalsContact C-N 3.31Å; H10-N62 HydrophobicContact CB-CB 4.23Å; H10-N62 PolarHBondContact N-O 2.99Å
11K92.4Very high94.9Very high114 Ų11432.5 Ų32.550%0.49616%0.16SC..THydrogen-bonded Turntrans-83.3-11.6175.5-57.6-179.2-178.2174.60112.3N9 E13 H38N9-K11 PolarHBondContact O-N 3.2Å; N9-K11 WeakPolarHBondContact OD1-CA 3.05Å; N9-K11 WeakPolarHBondContact OD1-CB 3.12Å; N9-K11 PolarHBondContact OD1-N 3.08Å; K11-E13 HydrophobicContact CB-CG 4.39Å; K11-H38 PolarHBondContact O-CE1 3.35Å; K11-H38 PolarHBondContact O-NE2 3.17Å
12G91.6Very high94.9Very high2 Ų238.7 Ų38.72%0.02119%0.194CC..  trans83.317.5-17500000114.1N9 H10 R33 I37N9-G12 PolarHBondContact O-N 2.85Å; N9-G12 PolarHBondContact OD1-N 2.83Å; H10-G12 VanDerWaalsContact C-N 3.31Å; G12-R33 WeakPolarHBondContact O-CD 3.44Å; G12-I37 VanDerWaalsContact CA-CD1 3.5Å
13E93.9Very high94.6Very high99 Ų9941.2 Ų41.246%0.46321%0.208SC..  trans-76.1140.5168.2-61.7163.8171.300109.4Y8 N9 K11 L15Y8-E13 CarbonylContact C-O 3.55Å; Y8-E13 WeakPolarHBondContact CA-O 3.4Å; N9-E13 PolarHBondContact N-O 3.47Å; N9-E13 PolarHBondContact ND2-OE2 2.89Å; N9-E13 PolarHBondContact OD1-N 2.8Å; K11-E13 HydrophobicContact CB-CG 4.39Å; E13-L15 PolarHBondContact O-N 3.21Å
14V95.1Very high94.5Very high60 Ų6041.6 Ų41.636%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-79.8117.7-178.7-173.70000109.3Y8 I16 V29Y8-V14 HydrophobicContact CD1-CG2 3.87Å; Y8-V14 HydrophobicContact CE1-CG2 3.58Å; V14-I16 WeakPolarHBondContact CG1-O 3.41Å; V14-V29 HydrophobicContact CG2-CG1 3.26Å
15L95.8Very high93.9Very high16 Ų1643.1 Ų43.18%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-87.4-38.5173.1-59-179.9000111.8I7 N9 E13 I63 E98 I101 F105I7-L15 HydrophobicContact CG2-CB 4.49Å; I7-L15 PolarHBondContact O-N 3.12Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.35Å; N9-L15 HydrophobicContact CB-CG 4.28Å; E13-L15 PolarHBondContact O-N 3.21Å; L15-I63 HydrophobicContact CD1-CD1 3.76Å; L15-E98 HydrophobicContact CD1-CB 4.27Å; L15-E98 HydrophobicContact CD1-CG 3.94Å; L15-E98 HydrophobicContact CD2-CG 3.84Å; L15-I101 HydrophobicContact CB-CG2 3.89Å; L15-I101 HydrophobicContact CD1-CB 4.49Å; L15-I101 HydrophobicContact CD1-CD1 3.96Å; L15-I101 HydrophobicContact CD1-CG2 4.36Å; L15-F105 VanDerWaalsContact O-CE2 3.32Å; L15-F105 WeakPolarHBondContact O-CE2 3.48Å
16I96.6Very high93.2Very high1 Ų153.9 Ų53.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-135.5135.1176.5-60.2-69.9000108.2F6 I7 V14 I101 F105 I108 Y109 L112F6-I16 WeakPolarHBondContact CA-O 3.44Å; I7-I16 HydrophobicContact CB-CB 3.93Å; I7-I16 HydrophobicContact CB-CG1 4.27Å; I7-I16 HydrophobicContact CD1-CB 3.99Å; I7-I16 HydrophobicContact CD1-CG1 3.88Å; I7-I16 HydrophobicContact CG1-CB 3.92Å; I7-I16 HydrophobicContact CG1-CG1 4.31Å; I7-I16 PolarHBondContact N-O 2.88Å; I7-I16 PolarHBondContact O-N 3.24Å; V14-I16 WeakPolarHBondContact CG1-O 3.41Å; I16-I101 HydrophobicContact CD1-CG2 4.06Å; I16-I101 HydrophobicContact CG1-CG2 3.7Å; I16-F105 HydrophobicContact CD1-CD2 3.3Å; I16-F105 HydrophobicContact CD1-CE2 3.56Å; I16-F105 HydrophobicContact CD1-CG 4.06Å; I16-F105 HydrophobicContact CD1-CZ 4.48Å; I16-I108 HydrophobicContact CD1-CB 4.32Å; I16-I108 HydrophobicContact CD1-CG2 3.94Å; I16-I108 HydrophobicContact CG1-CG2 4.05Å; I16-I108 HydrophobicContact CG2-CG2 4.38Å; I16-Y109 HydrophobicContact CD1-CD2 4.3Å; I16-Y109 HydrophobicContact CD1-CE2 3.67Å; I16-Y109 HydrophobicContact CG2-CE2 4.11Å; I16-L112 HydrophobicContact CG2-CD1 3.75Å
17S95.2Very high92.7Very high51 Ų5159 Ų5936%0.35729%0.293SS..EExtended strand (participates in β ladder)trans-129.3111.5172.8177.40000109.4F6 Y109F6-S17 WeakPolarHBondContact CE1-OG 3.45Å; S17-Y109 PolarHBondContact N-OH 2.78Å; S17-Y109 VanDerWaalsContact N-OH 3.13Å; S17-Y109 WeakPolarHBondContact O-CE1 3.47Å; S17-Y109 PolarHBondContact O-OH 2.92Å
18R95.8Very high92.1Very high79 Ų7959.3 Ų59.330%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-126.6118.9173.6-166.168.4-178.1160.21110.1G4 L5 Y20 Y109 L112 D113G4-R18 CarbonylContact C-O 3.55Å; G4-R18 WeakPolarHBondContact CA-O 3.49Å; L5-R18 PolarHBondContact N-O 3.12Å; L5-R18 PolarHBondContact O-N 3.06Å; L5-R18 VanDerWaalsContact O-O 3.13Å; R18-Y20 HydrophobicContact CB-CE2 4.23Å; R18-Y20 HydrophobicContact CG-CE1 3.96Å; R18-Y20 HydrophobicContact CG-CE2 3.84Å; R18-Y109 HydrophobicContact CB-CE1 4.46Å; R18-L112 HydrophobicContact CB-CD1 3.98Å; R18-L112 HydrophobicContact CG-CD1 4.43Å; R18-D113 IonicContact CZ-OD1 2.98Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 IonicContact NE-OD1 2.68Å; R18-D113 PolarHBondContact NE-OD1 3.45Å; R18-D113 IonicContact NE-OD2 3.84Å; R18-D113 IonicContact NH2-OD1 2.67Å; R18-D113 PolarHBondContact NH2-OD1 3.15Å; R18-D113 IonicContact NH2-OD2 2.84Å; R18-D113 PolarHBondContact NH2-OD2 3.24Å
19V95.8Very high91.5Very high65 Ų6560.4 Ų60.439%0.39430%0.302SS..EExtended strand (participates in β ladder)trans-107.1134.21791780000108F6 R21 I24F6-V19 HydrophobicContact CE1-CG2 4.08Å; F6-V19 HydrophobicContact CZ-CG2 4.1Å; V19-R21 WeakPolarHBondContact CG1-O 3.25Å; V19-I24 HydrophobicContact CG1-CB 4.23Å
20Y95.6Very high91.1Very high21 Ų2163.9 Ų63.98%0.08232%0.32CS..  trans-114-12-178.8-62.4-78.4000112.8G3 L5 R18 L112 L116 F118G3-Y20 PolarHBondContact O-N 3.09Å; L5-Y20 HydrophobicContact CB-CE2 4.08Å; R18-Y20 HydrophobicContact CB-CE2 4.23Å; R18-Y20 HydrophobicContact CG-CE1 3.96Å; R18-Y20 HydrophobicContact CG-CE2 3.84Å; Y20-L112 WeakPolarHBondContact OH-CB 3.5Å; Y20-L112 PolarHBondContact OH-O 3.07Å; Y20-L116 HydrophobicContact CD1-CG 4.45Å; Y20-L116 HydrophobicContact CD2-CD2 3.8Å; Y20-L116 HydrophobicContact CD2-CG 4.35Å; Y20-L116 HydrophobicContact CE1-CB 4.18Å; Y20-L116 HydrophobicContact CE1-CD2 4.28Å; Y20-L116 HydrophobicContact CE1-CG 4.05Å; Y20-L116 WeakPolarHBondContact CE1-O 3.3Å; Y20-L116 HydrophobicContact CE2-CD2 3.26Å; Y20-L116 HydrophobicContact CE2-CG 3.94Å; Y20-L116 HydrophobicContact CG-CD2 4.48Å; Y20-F118 WeakPolarHBondContact O-CD2 3.35Å; Y20-F118 WeakPolarHBondContact O-CE2 3.29Å
21R93.7Very high91.1Very high33 Ų3360.4 Ų60.413%0.12531%0.309CS..SBendtrans-138.7140.4179.2-61.3-69.6176.5150.3-1.5110.4G3 V19 D23 I24 F118G3-R21 PolarHBondContact O-N 2.96Å; V19-R21 WeakPolarHBondContact CG1-O 3.25Å; R21-D23 WeakPolarHBondContact CB-OD1 3.35Å; R21-D23 PolarHBondContact O-N 2.82Å; R21-D23 VanDerWaalsContact O-N 3.15Å; R21-I24 PolarHBondContact O-N 2.76Å; R21-F118 PolarHBondContact NE-O 3.2Å; R21-F118 PolarHBondContact NH2-O 3.37Å
22D91.8Very high91Very high167 Ų16755 Ų5589%0.89329%0.285SS*.THydrogen-bonded Turntrans-66.9-16.9-177.3-55.1-36.1000113.4I24D22-I24 PolarHBondContact O-N 2.88Å
23D90Very high91Very high58 Ų5859.3 Ų59.331%0.3130%0.301SS..THydrogen-bonded Turntrans-76.9-7.2179.572.4-28.6000113.6R21 K70R21-D23 WeakPolarHBondContact CB-OD1 3.35Å; R21-D23 PolarHBondContact O-N 2.82Å; R21-D23 VanDerWaalsContact O-N 3.15Å; D23-K70 HydrophobicContact CB-CD 4.38Å; D23-K70 WeakPolarHBondContact O-CE 3.16Å; D23-K70 PolarHBondContact O-NZ 3.4Å
24I91.9Very high90.8Very high9 Ų958.4 Ų58.45%0.04630%0.302CS..  trans-100.4102.6175.2-55.9-50.8000110.2G3 F6 V19 R21 D22 A28 V68 K70G3-I24 VanDerWaalsContact C-CG1 3.47Å; F6-I24 HydrophobicContact CE2-CG2 4.11Å; F6-I24 HydrophobicContact CZ-CG2 3.84Å; V19-I24 HydrophobicContact CG1-CB 4.23Å; R21-I24 PolarHBondContact O-N 2.76Å; D22-I24 PolarHBondContact O-N 2.88Å; I24-A28 HydrophobicContact CG2-CB 3.98Å; I24-V68 HydrophobicContact CD1-CG1 4.02Å; I24-V68 HydrophobicContact CG2-CG1 4.39Å; I24-K70 HydrophobicContact CD1-CD 4.49Å; I24-K70 HydrophobicContact CD1-CG 4.2Å
25G84.8Confident90.5Very high31 Ų3159.7 Ų59.732%0.3231%0.307SS..  trans-89.9175.6176.100000113.8N27 A28G25-N27 WeakPolarHBondContact CA-OD1 3.32Å; G25-N27 PolarHBondContact O-N 2.84Å; G25-N27 PolarHBondContact O-OD1 2.78Å; G25-A28 WeakPolarHBondContact O-CB 3.42Å; G25-A28 PolarHBondContact O-N 3.03Å; G25-A28 VanDerWaalsContact O-N 3.09Å
26R81.1Confident90.3Very high227 Ų22759.2 Ų59.286%0.85730%0.304SS*.Hα-helixtrans-58.1-29.2174.5-64.7-179.9-175.7173.81.1112.8A28 V29 D30R26-A28 PolarHBondContact O-N 3.02Å; R26-V29 WeakPolarHBondContact O-CB 3.41Å; R26-V29 PolarHBondContact O-N 3.31Å; R26-V29 VanDerWaalsContact O-N 3.12Å; R26-D30 PolarHBondContact O-N 2.67Å
27N85.8Confident90Very high110 Ų11060.2 Ų60.259%0.58831%0.309SS*.Hα-helixtrans-57.8-31.7175.761.5-15.4000113.6G25 V29 A31G25-N27 WeakPolarHBondContact CA-OD1 3.32Å; G25-N27 PolarHBondContact O-N 2.84Å; G25-N27 PolarHBondContact O-OD1 2.78Å; N27-V29 VanDerWaalsContact C-N 3.33Å; N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 3.42Å; N27-A31 PolarHBondContact O-N 2.68Å
28A84.2Confident89.7Confident7 Ų763 Ų636%0.05832%0.316CS..Hα-helixtrans-67.4-37.1178.100000111.8I24 G25 R26 A31 F32 F55 V68I24-A28 HydrophobicContact CG2-CB 3.98Å; G25-A28 WeakPolarHBondContact O-CB 3.42Å; G25-A28 PolarHBondContact O-N 3.03Å; G25-A28 VanDerWaalsContact O-N 3.09Å; R26-A28 PolarHBondContact O-N 3.02Å; A28-A31 PolarHBondContact O-N 2.78Å; A28-F32 PolarHBondContact O-N 3.04Å; A28-F32 VanDerWaalsContact O-N 3.15Å; A28-F55 HydrophobicContact CB-CE1 4.35Å; A28-F55 HydrophobicContact CB-CZ 4.23Å; A28-F55 VanDerWaalsContact O-CE1 3.25Å; A28-F55 WeakPolarHBondContact O-CE1 3.39Å; A28-V68 HydrophobicContact CB-CG1 4.2Å
29V83.4Confident89.2Confident23 Ų2361.1 Ų61.114%0.13932%0.318CS..Hα-helixtrans-63.1-47.8177.7178.90000110.6F6 Y8 V14 R26 N27 F32 R33F6-V29 HydrophobicContact CD1-CG2 3.73Å; F6-V29 HydrophobicContact CD2-CG2 4.43Å; F6-V29 HydrophobicContact CE1-CG2 3.39Å; F6-V29 HydrophobicContact CE2-CG2 4.13Å; F6-V29 HydrophobicContact CG-CG2 4.26Å; F6-V29 HydrophobicContact CZ-CG2 3.61Å; Y8-V29 HydrophobicContact CE1-CG1 3.87Å; Y8-V29 WeakPolarHBondContact OH-CA 3.37Å; V14-V29 HydrophobicContact CG2-CG1 3.26Å; R26-V29 WeakPolarHBondContact O-CB 3.41Å; R26-V29 PolarHBondContact O-N 3.31Å; R26-V29 VanDerWaalsContact O-N 3.12Å; N27-V29 VanDerWaalsContact C-N 3.33Å; V29-F32 PolarHBondContact O-N 3.5Å; V29-R33 PolarHBondContact O-N 3.29Å
30D88.6Confident88.3Confident72 Ų7270.5 Ų70.539%0.38535%0.346SS..Hα-helixtrans-66.7-40.1178.2-73.5-41.8000112.5R26 F32 R33 V34R26-D30 PolarHBondContact O-N 2.67Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.15Å; D30-R33 PolarHBondContact O-N 3.03Å; D30-R33 IonicContact OD1-CZ 3.99Å; D30-R33 IonicContact OD1-NE 2.67Å; D30-R33 IonicContact OD1-NH2 2.71Å; D30-R33 PolarHBondContact OD1-NH2 3.23Å; D30-V34 WeakPolarHBondContact O-CG2 3.32Å; D30-V34 PolarHBondContact O-N 3.23Å
31A90.2Very high87.4Confident24 Ų2475.3 Ų75.320%0.19837%0.37CS..Hα-helixtrans-59.3-42.3178.200000111.8N27 A28 N35 I50 F55N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 3.42Å; N27-A31 PolarHBondContact O-N 2.68Å; A28-A31 PolarHBondContact O-N 2.78Å; A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.42Å; A31-N35 PolarHBondContact O-N 2.88Å; A31-N35 PolarHBondContact O-ND2 2.75Å; A31-I50 HydrophobicContact CB-CG2 4.41Å; A31-F55 HydrophobicContact CB-CZ 4.29Å
32F91.2Very high86.5Confident0 Ų082.4 Ų82.40%040%0.404CS..Hα-helixtrans-65.1-46.6177.1-173.8-105.1000112Y8 A28 V29 D30 V34 V36 I37 F55 H57 W64 A66Y8-F32 AromaticContact CD2-CD1 3.79Å; Y8-F32 HydrophobicContact CD2-CD1 3.79Å; Y8-F32 AromaticContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CE1-CD1 4.32Å; Y8-F32 AromaticContact CE2-CD1 3.37Å; Y8-F32 HydrophobicContact CE2-CD1 3.37Å; Y8-F32 AromaticContact CE2-CE1 3.76Å; Y8-F32 HydrophobicContact CE2-CE1 3.76Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.44Å; Y8-F32 AromaticContact CZ-CD1 3.69Å; A28-F32 PolarHBondContact O-N 3.04Å; A28-F32 VanDerWaalsContact O-N 3.15Å; V29-F32 PolarHBondContact O-N 3.5Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.15Å; F32-V34 PolarHBondContact O-N 2.63Å; F32-V36 HydrophobicContact CD2-CB 3.91Å; F32-V36 HydrophobicContact CD2-CG1 4.4Å; F32-V36 HydrophobicContact CD2-CG2 3.66Å; F32-V36 HydrophobicContact CE2-CB 3.73Å; F32-V36 HydrophobicContact CE2-CG1 3.72Å; F32-V36 HydrophobicContact CE2-CG2 3.74Å; F32-V36 HydrophobicContact CG-CB 4.48Å; F32-V36 HydrophobicContact CZ-CB 4.16Å; F32-V36 HydrophobicContact CZ-CG1 3.93Å; F32-V36 WeakPolarHBondContact O-CA 3.46Å; F32-V36 VanDerWaalsContact O-CB 3.3Å; F32-V36 WeakPolarHBondContact O-CB 2.93Å; F32-V36 PolarHBondContact O-N 3.3Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CD1-CG1 4.12Å; F32-I37 HydrophobicContact CE1-CD1 3.8Å; F32-I37 HydrophobicContact CE1-CG1 3.83Å; F32-I37 PolarHBondContact O-N 2.94Å; F32-F55 HydrophobicContact CB-CD1 3.81Å; F32-F55 HydrophobicContact CB-CE1 3.79Å; F32-F55 HydrophobicContact CD2-CB 3.91Å; F32-F55 AromaticContact CD2-CD1 3.6Å; F32-F55 HydrophobicContact CD2-CD1 3.6Å; F32-F55 HydrophobicContact CD2-CE1 4.43Å; F32-F55 AromaticContact CD2-CG 3.96Å; F32-F55 HydrophobicContact CD2-CG 3.96Å; F32-F55 HydrophobicContact CE2-CB 4.22Å; F32-F55 HydrophobicContact CG-CD1 4.05Å; F32-H57 HydrophobicContact CE2-CB 3.77Å; F32-H57 AromaticContact CE2-CG 3.68Å; F32-H57 AromaticContact CE2-ND1 3.67Å; F32-H57 HydrophobicContact CZ-CB 3.58Å; F32-H57 AromaticContact CZ-CG 3.72Å; F32-W64 HydrophobicContact CE1-CB 4.47Å; F32-W64 HydrophobicContact CZ-CE3 4.49Å; F32-A66 HydrophobicContact CD1-CB 4.16Å; F32-A66 HydrophobicContact CD2-CB 4.36Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.08Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.83Å
33R90.8Very high85.6Confident93 Ų9377.3 Ų77.335%0.35138%0.379SS..Iπ-helixtrans-55.4-53.2177.7175.6178.564.8169-4.2111.7G12 V29 D30 I37 H38G12-R33 WeakPolarHBondContact O-CD 3.44Å; V29-R33 PolarHBondContact O-N 3.29Å; D30-R33 PolarHBondContact O-N 3.03Å; D30-R33 IonicContact OD1-CZ 3.99Å; D30-R33 IonicContact OD1-NE 2.67Å; D30-R33 IonicContact OD1-NH2 2.71Å; D30-R33 PolarHBondContact OD1-NH2 3.23Å; R33-I37 WeakPolarHBondContact O-CB 3.31Å; R33-I37 PolarHBondContact O-N 3.44Å; R33-H38 PolarHBondContact O-N 3.46Å
34V89.9Confident84.7Confident79 Ų7984.5 Ų84.548%0.47940%0.402SS..Iπ-helixtrans-70.2-45.1-173.9175.30000111.8D30 F32D30-V34 WeakPolarHBondContact O-CG2 3.32Å; D30-V34 PolarHBondContact O-N 3.23Å; F32-V34 PolarHBondContact O-N 2.63Å
35N89.4Confident84.7Confident88 Ų8886.4 Ų86.447%0.47142%0.416SS..Iπ-helixtrans-92.5-19-169.1-62.6-76.2000114.1A31 A39 I50A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.42Å; A31-N35 PolarHBondContact O-N 2.88Å; A31-N35 PolarHBondContact O-ND2 2.75Å; N35-A39 WeakPolarHBondContact O-CB 3.35Å; N35-I50 HydrophobicContact CB-CD1 3.67Å; N35-I50 HydrophobicContact CB-CG1 4.47Å
36V90.4Very high85.1Confident5 Ų588.3 Ų88.33%0.0342%0.423CS..Iπ-helixtrans-113.6-54.2-179.1-174.20000111F32 A39 V43 T48 I50F32-V36 HydrophobicContact CD2-CB 3.91Å; F32-V36 HydrophobicContact CD2-CG1 4.4Å; F32-V36 HydrophobicContact CD2-CG2 3.66Å; F32-V36 HydrophobicContact CE2-CB 3.73Å; F32-V36 HydrophobicContact CE2-CG1 3.72Å; F32-V36 HydrophobicContact CE2-CG2 3.74Å; F32-V36 HydrophobicContact CG-CB 4.48Å; F32-V36 HydrophobicContact CZ-CB 4.16Å; F32-V36 HydrophobicContact CZ-CG1 3.93Å; F32-V36 WeakPolarHBondContact O-CA 3.46Å; F32-V36 VanDerWaalsContact O-CB 3.3Å; F32-V36 WeakPolarHBondContact O-CB 2.93Å; F32-V36 PolarHBondContact O-N 3.3Å; V36-A39 WeakPolarHBondContact O-CB 3.12Å; V36-V43 HydrophobicContact CG1-CG1 4.17Å; V36-V43 HydrophobicContact CG1-CG2 4.01Å; V36-V43 WeakPolarHBondContact O-CG2 3.41Å; V36-T48 HydrophobicContact CG2-CG2 4.2Å; V36-I50 HydrophobicContact CG2-CD1 4.27Å
37I90.1Very high85.8Confident23 Ų2380 Ų8012%0.11840%0.397CS..Iπ-helixtrans-72.4-42.4-175.1-56.6179.8000111.2Y8 G12 F32 R33 W64Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.32Å; Y8-I37 HydrophobicContact CG-CD1 3.8Å; G12-I37 VanDerWaalsContact CA-CD1 3.5Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CD1-CG1 4.12Å; F32-I37 HydrophobicContact CE1-CD1 3.8Å; F32-I37 HydrophobicContact CE1-CG1 3.83Å; F32-I37 PolarHBondContact O-N 2.94Å; R33-I37 WeakPolarHBondContact O-CB 3.31Å; R33-I37 PolarHBondContact O-N 3.44Å; I37-W64 HydrophobicContact CD1-CG 4.44Å
38H88.9Confident86.2Confident108 Ų10876.4 Ų76.450%0.538%0.379SS..THydrogen-bonded Turntrans-9513.7178.7-63.2167000113.8K11 R33 R40K11-H38 PolarHBondContact O-CE1 3.35Å; K11-H38 PolarHBondContact O-NE2 3.17Å; R33-H38 PolarHBondContact O-N 3.46Å; H38-R40 PolarHBondContact O-N 2.85Å
39A86Confident86.7Confident41 Ų4180.8 Ų80.834%0.33940%0.402SS..  trans-57.512617700000110.5N35 V36 Q41N35-A39 WeakPolarHBondContact O-CB 3.35Å; V36-A39 WeakPolarHBondContact O-CB 3.12Å; A39-Q41 WeakPolarHBondContact CB-O 3.4Å; A39-Q41 PolarHBondContact O-N 3.25Å
40R75.8Confident87.1Confident261 Ų26181.2 Ų81.299%0.98540%0.403SS*.SBendtrans-63.3-28.3175.3-67.9-175.1-179.9-175.70.2112.2H38H38-R40 PolarHBondContact O-N 2.85Å
41Q76.8Confident87.1Confident122 Ų12282.1 Ų82.157%0.5742%0.421SS*.SBendtrans-92.2145.9173.5-63.4-170.90.300109.6A39 V43A39-Q41 WeakPolarHBondContact CB-O 3.4Å; A39-Q41 PolarHBondContact O-N 3.25Å; Q41-V43 PolarHBondContact O-N 3.15Å
42Q74.9Confident87.1Confident182 Ų18291.4 Ų91.485%0.8545%0.45SS*.  trans-55136.2174-66.9-174.4-8.400110.2R44Q42-R44 VanDerWaalsContact O-CG 3.3Å; Q42-R44 WeakPolarHBondContact O-CG 3.45Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-R44 VanDerWaalsContact O-N 3.07Å
43V72.5Confident87.3Confident61 Ų6192 Ų9237%0.3745%0.454SS..  trans-55.6114.9177.8178.10000109V36 Q41 H57 W64V36-V43 HydrophobicContact CG1-CG1 4.17Å; V36-V43 HydrophobicContact CG1-CG2 4.01Å; V36-V43 WeakPolarHBondContact O-CG2 3.41Å; Q41-V43 PolarHBondContact O-N 3.15Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.29Å; V43-W64 HydrophobicContact CG2-CH2 3.92Å
44R72.4Confident87.5Confident209 Ų20988.8 Ų88.879%0.78945%0.446SS*.  trans-88.1-26.5-171.2-60.5-172.8-176.9-158.60.1113.6Q42Q42-R44 VanDerWaalsContact O-CG 3.3Å; Q42-R44 WeakPolarHBondContact O-CG 3.45Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-R44 VanDerWaalsContact O-N 3.07Å
45S91.2Very high87.8Confident49 Ų4985.1 Ų85.134%0.34342%0.423SS..  trans-143.1137.2-170.4176.50000111.2V47 H57S45-V47 WeakPolarHBondContact CB-O 3.44Å; S45-V47 PolarHBondContact O-N 2.71Å; S45-V47 PolarHBondContact OG-N 3.39Å; S45-V47 VanDerWaalsContact OG-N 3.14Å; S45-V47 PolarHBondContact OG-O 2.99Å; S45-H57 PolarHBondContact O-CE1 2.84Å; S45-H57 PolarHBondContact O-NE2 3.04Å
46P94.2Very high88.2Confident71 Ų7181.4 Ų81.446%0.46140%0.403SS..SBendtrans-71.8-8.217333.1-36.8000112.8H57 F79P46-H57 PolarHBondContact O-N 3.45Å; P46-H57 PolarHBondContact O-ND1 2.94Å; P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.13Å
47V95.9Very high88.5Confident51 Ų5181.5 Ų81.531%0.30940%0.403SS..EExtended strand (participates in β ladder)trans-119.3121171.2-172.10000108.7S45 F55 F56 F79S45-V47 WeakPolarHBondContact CB-O 3.44Å; S45-V47 PolarHBondContact O-N 2.71Å; S45-V47 PolarHBondContact OG-N 3.39Å; S45-V47 VanDerWaalsContact OG-N 3.14Å; S45-V47 PolarHBondContact OG-O 2.99Å; V47-F55 WeakPolarHBondContact CA-O 3.33Å; V47-F56 HydrophobicContact CB-CD1 4.44Å; V47-F56 HydrophobicContact CG1-CD1 4.05Å; V47-F56 HydrophobicContact CG1-CE1 3.78Å; V47-F56 HydrophobicContact CG1-CZ 4.3Å; V47-F56 HydrophobicContact CG2-CD1 3.63Å; V47-F56 HydrophobicContact CG2-CE1 3.86Å; V47-F79 HydrophobicContact CG2-CE2 3.54Å; V47-F79 HydrophobicContact CG2-CZ 3.58Å
48T93.9Very high88.7Confident36 Ų3680.8 Ų80.822%0.22140%0.4CS..EExtended strand (participates in β ladder)trans-122.4134.1177.3-52.70000109.4V36 I50 F55V36-T48 HydrophobicContact CG2-CG2 4.2Å; T48-I50 HydrophobicContact CG2-CD1 4.19Å; T48-I50 HydrophobicContact CG2-CG1 3.85Å; T48-F55 PolarHBondContact N-O 3.13Å; T48-F55 PolarHBondContact O-N 2.82Å
49N93.5Very high88.9Confident99 Ų9980.7 Ų80.753%0.52940%0.398SS..EExtended strand (participates in β ladder)trans-105121.8171.6-168-84.1000109.2R52 T53 S54N49-R52 WeakPolarHBondContact OD1-CA 3.3Å; N49-R52 PolarHBondContact OD1-N 3.25Å; N49-T53 CarbonylContact C-O 3.57Å; N49-T53 WeakPolarHBondContact CA-O 3.48Å; N49-S54 PolarHBondContact ND2-OG 2.93Å
50I91.6Very high89.1Confident31 Ų3183.2 Ų83.216%0.15940%0.399CS..EExtended strand (participates in β ladder)trans-127120.2178.4-52165.3000107A31 N35 V36 T48 R52 T53 F55A31-I50 HydrophobicContact CB-CG2 4.41Å; N35-I50 HydrophobicContact CB-CD1 3.67Å; N35-I50 HydrophobicContact CB-CG1 4.47Å; V36-I50 HydrophobicContact CG2-CD1 4.27Å; T48-I50 HydrophobicContact CG2-CD1 4.19Å; T48-I50 HydrophobicContact CG2-CG1 3.85Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 3.3Å; I50-T53 PolarHBondContact N-O 3.28Å; I50-T53 WeakPolarHBondContact O-CA 3.47Å; I50-T53 WeakPolarHBondContact O-CB 3.38Å; I50-T53 PolarHBondContact O-N 2.94Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.88Å; I50-F55 HydrophobicContact CD1-CD2 3.94Å; I50-F55 HydrophobicContact CD1-CE2 3.9Å; I50-F55 HydrophobicContact CG1-CD2 4.16Å; I50-F55 HydrophobicContact CG1-CE2 4.15Å
51A89.4Confident89.6Confident92 Ų9275 Ų7576%0.7638%0.382SS*.THydrogen-bonded Turntrans47.849.7179.300000113.1T53A51-T53 PolarHBondContact O-N 2.87Å; A51-T53 VanDerWaalsContact O-N 3.14Å
52R90.9Very high90.3Very high219 Ų21974.2 Ų74.283%0.82638%0.381SS*.THydrogen-bonded Turntrans62.413.5-177.7-53.7-178.1177.4-173.6-0.8115.2N49 I50N49-R52 WeakPolarHBondContact OD1-CA 3.3Å; N49-R52 PolarHBondContact OD1-N 3.25Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 3.3Å
53T94.4Very high91.3Very high13 Ų1365.7 Ų65.78%0.0834%0.341CS..EExtended strand (participates in β ladder)trans-106.8126.6173.3-530000108.9N49 I50 A51 F55 V68 K70N49-T53 CarbonylContact C-O 3.57Å; N49-T53 WeakPolarHBondContact CA-O 3.48Å; I50-T53 PolarHBondContact N-O 3.28Å; I50-T53 WeakPolarHBondContact O-CA 3.47Å; I50-T53 WeakPolarHBondContact O-CB 3.38Å; I50-T53 PolarHBondContact O-N 2.94Å; A51-T53 PolarHBondContact O-N 2.87Å; A51-T53 VanDerWaalsContact O-N 3.14Å; T53-F55 HydrophobicContact CG2-CD2 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.8Å; T53-F55 WeakPolarHBondContact O-CD2 3.45Å; T53-F55 WeakPolarHBondContact O-CE2 3.38Å; T53-V68 HydrophobicContact CG2-CG1 3.45Å; T53-V68 VanDerWaalsContact CG2-CG1 3.45Å; T53-K70 HydrophobicContact CG2-CG 4.1Å
54S96.1Very high92.4Very high25 Ų2563.9 Ų63.918%0.17533%0.328CS..EExtended strand (participates in β ladder)trans-91.8130.9179.9-65.10000110.6N49 V68 T69N49-S54 PolarHBondContact ND2-OG 2.93Å; S54-V68 WeakPolarHBondContact O-CA 3.38Å; S54-T69 PolarHBondContact N-O 3.24Å; S54-T69 PolarHBondContact O-N 3.44Å
55F96.1Very high93.5Very high1 Ų154 Ų540%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-117.6105.2179.2-64.1-94.8000109.3A28 A31 F32 V47 T48 I50 T53 V68A28-F55 HydrophobicContact CB-CE1 4.35Å; A28-F55 HydrophobicContact CB-CZ 4.23Å; A28-F55 VanDerWaalsContact O-CE1 3.25Å; A28-F55 WeakPolarHBondContact O-CE1 3.39Å; A31-F55 HydrophobicContact CB-CZ 4.29Å; F32-F55 HydrophobicContact CB-CD1 3.81Å; F32-F55 HydrophobicContact CB-CE1 3.79Å; F32-F55 HydrophobicContact CD2-CB 3.91Å; F32-F55 AromaticContact CD2-CD1 3.6Å; F32-F55 HydrophobicContact CD2-CD1 3.6Å; F32-F55 HydrophobicContact CD2-CE1 4.43Å; F32-F55 AromaticContact CD2-CG 3.96Å; F32-F55 HydrophobicContact CD2-CG 3.96Å; F32-F55 HydrophobicContact CE2-CB 4.22Å; F32-F55 HydrophobicContact CG-CD1 4.05Å; V47-F55 WeakPolarHBondContact CA-O 3.33Å; T48-F55 PolarHBondContact N-O 3.13Å; T48-F55 PolarHBondContact O-N 2.82Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.88Å; I50-F55 HydrophobicContact CD1-CD2 3.94Å; I50-F55 HydrophobicContact CD1-CE2 3.9Å; I50-F55 HydrophobicContact CG1-CD2 4.16Å; I50-F55 HydrophobicContact CG1-CE2 4.15Å; T53-F55 HydrophobicContact CG2-CD2 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.8Å; T53-F55 WeakPolarHBondContact O-CD2 3.45Å; T53-F55 WeakPolarHBondContact O-CE2 3.38Å; F55-V68 HydrophobicContact CD1-CB 4.37Å; F55-V68 HydrophobicContact CD1-CG1 4.07Å; F55-V68 HydrophobicContact CD1-CG2 3.49Å; F55-V68 VanDerWaalsContact CD1-CG2 3.49Å; F55-V68 HydrophobicContact CE1-CB 4.35Å; F55-V68 HydrophobicContact CE1-CG1 3.71Å; F55-V68 HydrophobicContact CE1-CG2 3.64Å; F55-V68 HydrophobicContact CG-CG2 4.49Å; F55-V68 HydrophobicContact CZ-CG1 4.08Å
56F97.5Very high93.8Very high10 Ų1051.6 Ų51.64%0.04427%0.274CS..EExtended strand (participates in β ladder)trans-91.4121.4172.2-57-90.9000107.7V47 A66 A67 T69 V73 A75 V78 F79 L82V47-F56 HydrophobicContact CB-CD1 4.44Å; V47-F56 HydrophobicContact CG1-CD1 4.05Å; V47-F56 HydrophobicContact CG1-CE1 3.78Å; V47-F56 HydrophobicContact CG1-CZ 4.3Å; V47-F56 HydrophobicContact CG2-CD1 3.63Å; V47-F56 HydrophobicContact CG2-CE1 3.86Å; F56-A66 CarbonylContact O-C 3.6Å; F56-A66 VanDerWaalsContact O-CA 3.31Å; F56-A66 WeakPolarHBondContact O-CA 3.34Å; F56-A67 HydrophobicContact CB-CB 4.35Å; F56-A67 PolarHBondContact N-O 2.81Å; F56-A67 PolarHBondContact O-N 3.18Å; F56-T69 HydrophobicContact CD2-CG2 4.37Å; F56-T69 HydrophobicContact CE2-CG2 3.68Å; F56-V73 HydrophobicContact CE2-CG2 3.92Å; F56-V73 HydrophobicContact CZ-CG2 3.96Å; F56-A75 HydrophobicContact CD1-CB 4.21Å; F56-A75 HydrophobicContact CE1-CB 3.48Å; F56-A75 VanDerWaalsContact CE1-CB 3.48Å; F56-A75 HydrophobicContact CZ-CB 4.33Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.4Å; F56-V78 HydrophobicContact CD1-CG1 4.36Å; F56-V78 HydrophobicContact CD2-CG1 3.99Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.73Å; F56-F79 HydrophobicContact CB-CE1 4.41Å; F56-F79 HydrophobicContact CB-CZ 4.22Å; F56-F79 AromaticContact CD1-CE2 3.85Å; F56-F79 HydrophobicContact CD1-CE2 3.85Å; F56-F79 HydrophobicContact CD1-CZ 4.08Å; F56-L82 HydrophobicContact CB-CD1 4.44Å
57H95.6Very high93.9Very high7 Ų748.3 Ų48.33%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-140.8145.7-174.863.1-86.2000113.4F32 V43 S45 P46 W64 L65 A66F32-H57 HydrophobicContact CE2-CB 3.77Å; F32-H57 AromaticContact CE2-CG 3.68Å; F32-H57 AromaticContact CE2-ND1 3.67Å; F32-H57 HydrophobicContact CZ-CB 3.58Å; F32-H57 AromaticContact CZ-CG 3.72Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.29Å; S45-H57 PolarHBondContact O-CE1 2.84Å; S45-H57 PolarHBondContact O-NE2 3.04Å; P46-H57 PolarHBondContact O-N 3.45Å; P46-H57 PolarHBondContact O-ND1 2.94Å; H57-W64 AromaticContact CD2-CE3 3.89Å; H57-W64 AromaticContact CD2-CZ3 3.63Å; H57-L65 CarbonylContact C-O 3.59Å; H57-L65 WeakPolarHBondContact CA-O 3.49Å; H57-L65 WeakPolarHBondContact CB-O 3.26Å; H57-A66 HydrophobicContact CB-CB 4.15Å
58V95.4Very high94Very high9 Ų945.9 Ų45.96%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-127149.3175.6-61.50000109.1W64 L65 F79 L82 Y83V58-W64 WeakPolarHBondContact O-CA 3.31Å; V58-L65 HydrophobicContact CG2-CB 3.85Å; V58-L65 HydrophobicContact CG2-CD1 4.23Å; V58-L65 PolarHBondContact N-O 2.98Å; V58-L65 PolarHBondContact O-N 2.85Å; V58-F79 HydrophobicContact CG1-CD1 3.79Å; V58-F79 HydrophobicContact CG1-CE1 3.98Å; V58-L82 HydrophobicContact CG1-CB 4.49Å; V58-L82 HydrophobicContact CG1-CD1 4.28Å; V58-L82 HydrophobicContact CG2-CB 4.19Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; V58-Y83 HydrophobicContact CB-CE1 4.38Å; V58-Y83 HydrophobicContact CG1-CD1 4.4Å; V58-Y83 HydrophobicContact CG1-CE1 3.69Å
59K92.1Very high94.1Very high105 Ų10544.2 Ų44.246%0.45723%0.228SC..EExtended strand (participates in β ladder)trans-113.9125.1176.4-164.7-178.9-173.3177.50109.9S61 I63 W64K59-S61 VanDerWaalsContact CE-O 3.23Å; K59-S61 WeakPolarHBondContact CE-O 3.4Å; K59-I63 WeakPolarHBondContact CA-O 3.21Å; K59-W64 HydrophobicContact CB-CD2 4.34Å; K59-W64 HydrophobicContact CB-CE3 4.06Å; K59-W64 HydrophobicContact CB-CZ3 4.19Å; K59-W64 HydrophobicContact CD-CD2 4.24Å; K59-W64 HydrophobicContact CD-CE3 4.47Å; K59-W64 HydrophobicContact CD-CH2 3.88Å; K59-W64 HydrophobicContact CD-CZ2 3.62Å; K59-W64 HydrophobicContact CD-CZ3 4.3Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.26Å; K59-W64 HydrophobicContact CG-CZ2 4.34Å; K59-W64 HydrophobicContact CG-CZ3 4.49Å
60R90.1Very high94.2Very high95 Ų9544.4 Ų44.436%0.35822%0.224SC..EExtended strand (participates in β ladder)trans-118.1105.2172.7-68.2-62-173.1-132.27.3108.3N62 I63 L65R60-N62 PolarHBondContact O-N 2.78Å; R60-I63 PolarHBondContact N-O 3.33Å; R60-I63 PolarHBondContact O-N 3.43Å; R60-L65 HydrophobicContact CG-CD1 4.37Å
61S88.1Confident94.4Very high89 Ų8947 Ų4762%0.62224%0.235SC*.THydrogen-bonded Turntrans53.9-111.3-170.5-57.60000111.5K59K59-S61 VanDerWaalsContact CE-O 3.23Å; K59-S61 WeakPolarHBondContact CE-O 3.4Å
62N90.3Very high94.7Very high104 Ų10450.8 Ų50.856%0.55624%0.243SC*.THydrogen-bonded Turntrans-103.49.3-179.4-70.4-15.3000113N9 H10 R60N9-N62 CarbonylContact C-O 3.53Å; H10-N62 HydrophobicContact CB-CB 4.23Å; H10-N62 PolarHBondContact N-O 2.99Å; R60-N62 PolarHBondContact O-N 2.78Å
63I95.4Very high94.9Very high4 Ų441.3 Ų41.32%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-107.3134.7-179.9-56-57.3000109.4I7 Y8 L15 K59 R60 L65 I96 E98 I101I7-I63 HydrophobicContact CG2-CG2 3.35Å; Y8-I63 WeakPolarHBondContact O-CA 3.05Å; L15-I63 HydrophobicContact CD1-CD1 3.76Å; K59-I63 WeakPolarHBondContact CA-O 3.21Å; R60-I63 PolarHBondContact N-O 3.33Å; R60-I63 PolarHBondContact O-N 3.43Å; I63-L65 HydrophobicContact CG2-CD1 4.15Å; I63-I96 HydrophobicContact CB-CG2 4.47Å; I63-I96 HydrophobicContact CG1-CG2 4.39Å; I63-I96 HydrophobicContact CG2-CG2 4.38Å; I63-E98 HydrophobicContact CD1-CB 4.06Å; I63-I101 HydrophobicContact CD1-CD1 4.16Å; I63-I101 HydrophobicContact CG1-CD1 4.13Å; I63-I101 HydrophobicContact CG2-CD1 3.81Å
64W95.5Very high95Very high22 Ų2245.4 Ų45.48%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-106.1132.4172.7-6287.2000109.3I7 Y8 F32 I37 V43 H57 V58 K59I7-W64 CarbonylContact C-O 3.57Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.32Å; Y8-W64 HydrophobicContact CD2-CB 4.44Å; Y8-W64 PolarHBondContact N-O 3.35Å; Y8-W64 PolarHBondContact O-N 2.74Å; F32-W64 HydrophobicContact CE1-CB 4.47Å; F32-W64 HydrophobicContact CZ-CE3 4.49Å; I37-W64 HydrophobicContact CD1-CG 4.44Å; V43-W64 HydrophobicContact CG2-CH2 3.92Å; H57-W64 AromaticContact CD2-CE3 3.89Å; H57-W64 AromaticContact CD2-CZ3 3.63Å; V58-W64 WeakPolarHBondContact O-CA 3.31Å; K59-W64 HydrophobicContact CB-CD2 4.34Å; K59-W64 HydrophobicContact CB-CE3 4.06Å; K59-W64 HydrophobicContact CB-CZ3 4.19Å; K59-W64 HydrophobicContact CD-CD2 4.24Å; K59-W64 HydrophobicContact CD-CE3 4.47Å; K59-W64 HydrophobicContact CD-CH2 3.88Å; K59-W64 HydrophobicContact CD-CZ2 3.62Å; K59-W64 HydrophobicContact CD-CZ3 4.3Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.26Å; K59-W64 HydrophobicContact CG-CZ2 4.34Å; K59-W64 HydrophobicContact CG-CZ3 4.49Å
65L96.7Very high95.1Very high1 Ų146 Ų461%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-111.1126.9168.2-63.183.2000106.9I7 H57 V58 R60 I63 L82 M85I7-L65 HydrophobicContact CG1-CG 4.28Å; H57-L65 CarbonylContact C-O 3.59Å; H57-L65 WeakPolarHBondContact CA-O 3.49Å; H57-L65 WeakPolarHBondContact CB-O 3.26Å; V58-L65 HydrophobicContact CG2-CB 3.85Å; V58-L65 HydrophobicContact CG2-CD1 4.23Å; V58-L65 PolarHBondContact N-O 2.98Å; V58-L65 PolarHBondContact O-N 2.85Å; R60-L65 HydrophobicContact CG-CD1 4.37Å; I63-L65 HydrophobicContact CG2-CD1 4.15Å; L65-L82 HydrophobicContact CB-CD2 4.24Å; L65-M85 HydrophobicContact CD2-CE 4.18Å; L65-M85 HydrophobicContact CD2-SD 4.08Å
66A96.3Very high95.1Very high0 Ų049.2 Ų49.20%026%0.264CS..EExtended strand (participates in β ladder)trans-126.4120.8179.900000110.4L5 F6 Y8 F32 F56 H57L5-A66 WeakPolarHBondContact CA-O 3.32Å; F6-A66 PolarHBondContact N-O 3.32Å; F6-A66 PolarHBondContact O-N 3.14Å; Y8-A66 HydrophobicContact CE2-CB 3.92Å; F32-A66 HydrophobicContact CD1-CB 4.16Å; F32-A66 HydrophobicContact CD2-CB 4.36Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.08Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.83Å; F56-A66 CarbonylContact O-C 3.6Å; F56-A66 VanDerWaalsContact O-CA 3.31Å; F56-A66 WeakPolarHBondContact O-CA 3.34Å; H57-A66 HydrophobicContact CB-CB 4.15Å
67A97.6Very high95Very high1 Ų152.8 Ų52.81%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-94.8132.716500000109.3I2 G4 F56 V78 L82I2-A67 HydrophobicContact CG2-CB 4.13Å; G4-A67 CarbonylContact O-C 3.53Å; G4-A67 WeakPolarHBondContact O-CA 3.49Å; F56-A67 HydrophobicContact CB-CB 4.35Å; F56-A67 PolarHBondContact N-O 2.81Å; F56-A67 PolarHBondContact O-N 3.18Å; A67-V78 HydrophobicContact CB-CG1 3.54Å; A67-L82 HydrophobicContact CB-CD1 4.22Å; A67-L82 HydrophobicContact CB-CD2 4.18Å; A67-L82 HydrophobicContact CB-CG 4.4Å
68V97.1Very high95.1Very high0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-122.4136.4-172.1-173.60000109.3G3 G4 F6 I24 A28 T53 S54 F55G3-V68 WeakPolarHBondContact CA-O 3.33Å; G3-V68 PolarHBondContact N-O 2.76Å; G4-V68 PolarHBondContact N-O 2.9Å; G4-V68 PolarHBondContact O-N 3.32Å; F6-V68 HydrophobicContact CD2-CB 4.46Å; F6-V68 HydrophobicContact CD2-CG2 3.57Å; F6-V68 HydrophobicContact CE2-CB 3.98Å; F6-V68 HydrophobicContact CE2-CG2 3.52Å; I24-V68 HydrophobicContact CD1-CG1 4.02Å; I24-V68 HydrophobicContact CG2-CG1 4.39Å; A28-V68 HydrophobicContact CB-CG1 4.2Å; T53-V68 HydrophobicContact CG2-CG1 3.45Å; T53-V68 VanDerWaalsContact CG2-CG1 3.45Å; S54-V68 WeakPolarHBondContact O-CA 3.38Å; F55-V68 HydrophobicContact CD1-CB 4.37Å; F55-V68 HydrophobicContact CD1-CG1 4.07Å; F55-V68 HydrophobicContact CD1-CG2 3.49Å; F55-V68 VanDerWaalsContact CD1-CG2 3.49Å; F55-V68 HydrophobicContact CE1-CB 4.35Å; F55-V68 HydrophobicContact CE1-CG1 3.71Å; F55-V68 HydrophobicContact CE1-CG2 3.64Å; F55-V68 HydrophobicContact CG-CG2 4.49Å; F55-V68 HydrophobicContact CZ-CG1 4.08Å
69T96.6Very high95.2Very high2 Ų253.5 Ų53.51%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-157148.1174.9-175.80000110.8M1 S54 F56 Q71 V73M1-T69 PolarHBondContact O-OG1 3.08Å; S54-T69 PolarHBondContact N-O 3.24Å; S54-T69 PolarHBondContact O-N 3.44Å; F56-T69 HydrophobicContact CD2-CG2 4.37Å; F56-T69 HydrophobicContact CE2-CG2 3.68Å; T69-Q71 PolarHBondContact OG1-N 3.47Å; T69-Q71 VanDerWaalsContact OG1-N 3.08Å; T69-V73 HydrophobicContact CG2-CG1 4.25Å; T69-V73 HydrophobicContact CG2-CG2 3.72Å
70K95.7Very high95.3Very high103 Ų10353.4 Ų53.445%0.44829%0.285SS..SBendtrans-95.5-4168.9-68.6175.2174.7171.10112.5D23 I24 T53D23-K70 HydrophobicContact CB-CD 4.38Å; D23-K70 WeakPolarHBondContact O-CE 3.16Å; D23-K70 PolarHBondContact O-NZ 3.4Å; I24-K70 HydrophobicContact CD1-CD 4.49Å; I24-K70 HydrophobicContact CD1-CG 4.2Å; T53-K70 HydrophobicContact CG2-CG 4.1Å
71Q95Very high95.7Very high84 Ų8449.4 Ų49.439%0.39327%0.271SS..SBendtrans-91.9156-178-59.5-174.7-3.800111.2T69 V73T69-Q71 PolarHBondContact OG1-N 3.47Å; T69-Q71 VanDerWaalsContact OG1-N 3.08Å; Q71-V73 HydrophobicContact CB-CG1 4.16Å; Q71-V73 PolarHBondContact O-N 2.72Å; Q71-V73 VanDerWaalsContact O-N 3.12Å
72N95.4Very high96.1Very high172 Ų17245.1 Ų45.192%0.9224%0.241SC*.  trans-79.490.9171.6-172.912.7000109.7
73V96.2Very high96.4Very high21 Ų2144.5 Ų44.513%0.12723%0.231CC..  trans-102.7159.4-179.4-59.30000111.6M1 F56 T69 Q71 A75 V78M1-V73 VanDerWaalsContact N-CG1 3.3Å; F56-V73 HydrophobicContact CE2-CG2 3.92Å; F56-V73 HydrophobicContact CZ-CG2 3.96Å; T69-V73 HydrophobicContact CG2-CG1 4.25Å; T69-V73 HydrophobicContact CG2-CG2 3.72Å; Q71-V73 HydrophobicContact CB-CG1 4.16Å; Q71-V73 PolarHBondContact O-N 2.72Å; Q71-V73 VanDerWaalsContact O-N 3.12Å; V73-A75 PolarHBondContact O-N 3.14Å; V73-V78 HydrophobicContact CG2-CG2 3.71Å
74N97Very high96.3Very high98 Ų9848.4 Ų48.452%0.52425%0.248SC..  trans-66.7107.7169.9-174.8-42.8000109.9A76 M77 V78N74-A76 VanDerWaalsContact C-N 3.27Å; N74-A76 PolarHBondContact O-N 2.85Å; N74-A76 WeakPolarHBondContact OD1-CA 3.47Å; N74-A76 WeakPolarHBondContact OD1-CB 3.48Å; N74-A76 PolarHBondContact OD1-N 2.91Å; N74-M77 HydrophobicContact CB-CB 4.09Å; N74-M77 HydrophobicContact CB-CE 4.41Å; N74-M77 WeakPolarHBondContact O-CB 3.15Å; N74-M77 PolarHBondContact O-N 3.3Å; N74-M77 PolarHBondContact OD1-N 3.05Å; N74-M77 VanDerWaalsContact OD1-N 3.15Å; N74-V78 PolarHBondContact O-N 2.88Å
75A96.6Very high96.3Very high39 Ų3947.5 Ų47.532%0.32225%0.245SC..Hα-helixtrans-56.6-39.2-179.800000113.2F56 V73 M77 V78 F79F56-A75 HydrophobicContact CD1-CB 4.21Å; F56-A75 HydrophobicContact CE1-CB 3.48Å; F56-A75 VanDerWaalsContact CE1-CB 3.48Å; F56-A75 HydrophobicContact CZ-CB 4.33Å; V73-A75 PolarHBondContact O-N 3.14Å; A75-M77 PolarHBondContact O-N 3.5Å; A75-V78 PolarHBondContact O-N 2.89Å; A75-F79 WeakPolarHBondContact O-CD2 3.26Å; A75-F79 PolarHBondContact O-N 3.2Å
76A96.3Very high96.2Very high67 Ų6747.5 Ų47.555%0.55425%0.245SC*.Hα-helixtrans-65.3-40.3-178.800000111.4N74 V78 F79 E80N74-A76 VanDerWaalsContact C-N 3.27Å; N74-A76 PolarHBondContact O-N 2.85Å; N74-A76 WeakPolarHBondContact OD1-CA 3.47Å; N74-A76 WeakPolarHBondContact OD1-CB 3.48Å; N74-A76 PolarHBondContact OD1-N 2.91Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 2.93Å; A76-F79 PolarHBondContact O-N 3.46Å; A76-E80 WeakPolarHBondContact O-CB 3.38Å; A76-E80 PolarHBondContact O-N 3.3Å
77M96.1Very high96.1Very high85 Ų8551.8 Ų51.842%0.41927%0.268SS..Hα-helixtrans-59.5-43.1173.6-178.7-156.2-66.500111.6M1 N74 A75 F79 E80 F81 P121M1-M77 HydrophobicContact CE-SD 3.76Å; N74-M77 HydrophobicContact CB-CB 4.09Å; N74-M77 HydrophobicContact CB-CE 4.41Å; N74-M77 WeakPolarHBondContact O-CB 3.15Å; N74-M77 PolarHBondContact O-N 3.3Å; N74-M77 PolarHBondContact OD1-N 3.05Å; N74-M77 VanDerWaalsContact OD1-N 3.15Å; A75-M77 PolarHBondContact O-N 3.5Å; M77-F79 PolarHBondContact O-N 2.95Å; M77-E80 PolarHBondContact O-N 3.43Å; M77-F81 WeakPolarHBondContact O-CB 3.38Å; M77-F81 PolarHBondContact O-N 3.16Å; M77-P121 HydrophobicContact SD-CG 4.35Å
78V97.7Very high95.9Very high2 Ų251.9 Ų51.91%0.01227%0.269CS..Hα-helixtrans-63.3-43.2178.7-1800000111I2 F56 A67 V73 N74 A75 A76 F81 L82I2-V78 HydrophobicContact CD1-CG1 4.18Å; I2-V78 HydrophobicContact CD1-CG2 4.22Å; I2-V78 HydrophobicContact CG1-CG1 4.5Å; I2-V78 HydrophobicContact CG1-CG2 4.06Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.4Å; F56-V78 HydrophobicContact CD1-CG1 4.36Å; F56-V78 HydrophobicContact CD2-CG1 3.99Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.73Å; A67-V78 HydrophobicContact CB-CG1 3.54Å; V73-V78 HydrophobicContact CG2-CG2 3.71Å; N74-V78 PolarHBondContact O-N 2.88Å; A75-V78 PolarHBondContact O-N 2.89Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 2.93Å; V78-F81 PolarHBondContact O-N 3.02Å; V78-L82 HydrophobicContact CG1-CD1 4.29Å; V78-L82 WeakPolarHBondContact O-CG 3.5Å; V78-L82 PolarHBondContact O-N 3.04Å
79F97.7Very high95.7Very high29 Ų2952.1 Ų52.113%0.12727%0.27CS..Hα-helixtrans-67.9-41.5177.1-76-64.7000112.9P46 V47 F56 V58 A75 A76 M77 F81 L82 Y83P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.13Å; V47-F79 HydrophobicContact CG2-CE2 3.54Å; V47-F79 HydrophobicContact CG2-CZ 3.58Å; F56-F79 HydrophobicContact CB-CE1 4.41Å; F56-F79 HydrophobicContact CB-CZ 4.22Å; F56-F79 AromaticContact CD1-CE2 3.85Å; F56-F79 HydrophobicContact CD1-CE2 3.85Å; F56-F79 HydrophobicContact CD1-CZ 4.08Å; V58-F79 HydrophobicContact CG1-CD1 3.79Å; V58-F79 HydrophobicContact CG1-CE1 3.98Å; A75-F79 WeakPolarHBondContact O-CD2 3.26Å; A75-F79 PolarHBondContact O-N 3.2Å; A76-F79 PolarHBondContact O-N 3.46Å; M77-F79 PolarHBondContact O-N 2.95Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 3.1Å; F79-L82 HydrophobicContact CD1-CD1 4.33Å; F79-L82 PolarHBondContact O-N 2.96Å; F79-Y83 HydrophobicContact CB-CE2 4.05Å; F79-Y83 WeakPolarHBondContact O-CD2 3.27Å; F79-Y83 VanDerWaalsContact O-CG 3.26Å; F79-Y83 PolarHBondContact O-N 2.93Å
80E95.1Very high95.6Very high103 Ų10355.2 Ų55.248%0.48129%0.289SS..Hα-helixtrans-58.8-45.2175.3-17559.8-161.500110.5A76 M77 Y83 K84A76-E80 WeakPolarHBondContact O-CB 3.38Å; A76-E80 PolarHBondContact O-N 3.3Å; M77-E80 PolarHBondContact O-N 3.43Å; E80-Y83 PolarHBondContact O-N 3.5Å; E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.19Å; E80-K84 PolarHBondContact O-N 3.41Å; E80-K84 WeakPolarHBondContact OE1-CE 3.24Å
81F96.8Very high95.3Very high11 Ų1152.4 Ų52.45%0.04828%0.284CS..Hα-helixtrans-59.3-47.6173.6172.9-99.6000112.6I2 L5 M77 V78 F79 Y83 K84 M85 I115 L116 P121I2-F81 HydrophobicContact CD1-CD1 3.94Å; I2-F81 HydrophobicContact CD1-CE1 4.39Å; L5-F81 HydrophobicContact CD1-CD1 4.47Å; L5-F81 HydrophobicContact CD1-CE1 3.58Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; M77-F81 WeakPolarHBondContact O-CB 3.38Å; M77-F81 PolarHBondContact O-N 3.16Å; V78-F81 PolarHBondContact O-N 3.02Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 3.1Å; F81-Y83 VanDerWaalsContact C-N 3.28Å; F81-Y83 PolarHBondContact O-N 2.96Å; F81-K84 PolarHBondContact O-N 3.45Å; F81-M85 WeakPolarHBondContact O-CB 3.36Å; F81-M85 PolarHBondContact O-N 2.99Å; F81-I115 HydrophobicContact CE2-CB 4.43Å; F81-I115 HydrophobicContact CE2-CD1 4.17Å; F81-I115 HydrophobicContact CE2-CG1 3.86Å; F81-I115 HydrophobicContact CZ-CD1 4.22Å; F81-I115 HydrophobicContact CZ-CG1 4.05Å; F81-L116 HydrophobicContact CE1-CD2 3.71Å; F81-L116 HydrophobicContact CE2-CB 4.02Å; F81-L116 HydrophobicContact CE2-CD1 4.27Å; F81-L116 HydrophobicContact CE2-CD2 4.49Å; F81-L116 HydrophobicContact CZ-CB 3.73Å; F81-L116 HydrophobicContact CZ-CD1 4.16Å; F81-L116 HydrophobicContact CZ-CD2 3.63Å; F81-L116 HydrophobicContact CZ-CG 4.05Å; F81-P121 HydrophobicContact CB-CG 4.33Å; F81-P121 HydrophobicContact CD2-CB 3.83Å; F81-P121 HydrophobicContact CD2-CG 4.1Å; F81-P121 HydrophobicContact CE2-CB 4.43Å; F81-P121 HydrophobicContact CG-CB 4.44Å; F81-P121 HydrophobicContact CG-CG 4.26Å
82L97.3Very high95.1Very high0 Ų049.4 Ų49.40%027%0.27CS..Hα-helixtrans-60.7-37.5177.8-73.7174.1000112.3L5 F56 V58 L65 A67 V78 F79 C86L5-L82 HydrophobicContact CD1-CD2 3.99Å; F56-L82 HydrophobicContact CB-CD1 4.44Å; V58-L82 HydrophobicContact CG1-CB 4.49Å; V58-L82 HydrophobicContact CG1-CD1 4.28Å; V58-L82 HydrophobicContact CG2-CB 4.19Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; L65-L82 HydrophobicContact CB-CD2 4.24Å; A67-L82 HydrophobicContact CB-CD1 4.22Å; A67-L82 HydrophobicContact CB-CD2 4.18Å; A67-L82 HydrophobicContact CB-CG 4.4Å; V78-L82 HydrophobicContact CG1-CD1 4.29Å; V78-L82 WeakPolarHBondContact O-CG 3.5Å; V78-L82 PolarHBondContact O-N 3.04Å; F79-L82 HydrophobicContact CD1-CD1 4.33Å; F79-L82 PolarHBondContact O-N 2.96Å; L82-C86 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-SG 3.37Å
83Y95.8Very high94.9Very high90 Ų9042.5 Ų42.535%0.35323%0.232SC..Hα-helixtrans-69.1-46175.1-63.9-39.8000111.6V58 F79 E80 F81 M85 C86 D87V58-Y83 HydrophobicContact CB-CE1 4.38Å; V58-Y83 HydrophobicContact CG1-CD1 4.4Å; V58-Y83 HydrophobicContact CG1-CE1 3.69Å; F79-Y83 HydrophobicContact CB-CE2 4.05Å; F79-Y83 WeakPolarHBondContact O-CD2 3.27Å; F79-Y83 VanDerWaalsContact O-CG 3.26Å; F79-Y83 PolarHBondContact O-N 2.93Å; E80-Y83 PolarHBondContact O-N 3.5Å; F81-Y83 VanDerWaalsContact C-N 3.28Å; F81-Y83 PolarHBondContact O-N 2.96Å; Y83-M85 VanDerWaalsContact C-N 3.33Å; Y83-M85 PolarHBondContact O-N 3.27Å; Y83-C86 WeakPolarHBondContact O-CB 3.41Å; Y83-C86 PolarHBondContact O-N 3.42Å; Y83-C86 VanDerWaalsContact O-N 3.11Å; Y83-D87 PolarHBondContact O-N 3.17Å
84K94.3Very high94.7Very high87 Ų8743 Ų4338%0.37824%0.241SC..Hα-helixtrans-60.2-40.9175.2-71.8-62.9-178.3-173.80112.7E80 F81 C86 D87 V88E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.19Å; E80-K84 PolarHBondContact O-N 3.41Å; E80-K84 WeakPolarHBondContact OE1-CE 3.24Å; F81-K84 PolarHBondContact O-N 3.45Å; K84-C86 VanDerWaalsContact C-N 3.33Å; K84-C86 PolarHBondContact O-N 3.47Å; K84-D87 PolarHBondContact O-N 2.92Å; K84-D87 VanDerWaalsContact O-N 3.13Å; K84-V88 VanDerWaalsContact O-CG2 3.29Å; K84-V88 WeakPolarHBondContact O-CG2 3.41Å; K84-V88 PolarHBondContact O-N 3.05Å
85M95.4Very high94.5Very high2 Ų245.5 Ų45.51%0.0125%0.247CC..Hα-helixtrans-58.2-44.8173.4179.1-174.4170.600111.5L5 I7 L65 F81 Y83 D87 V88 M89 L112 I115L5-M85 HydrophobicContact CD1-SD 3.7Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.87Å; L5-M85 HydrophobicContact CG-SD 4.44Å; I7-M85 HydrophobicContact CD1-CE 3.71Å; I7-M85 HydrophobicContact CG1-CE 4.42Å; L65-M85 HydrophobicContact CD2-CE 4.18Å; L65-M85 HydrophobicContact CD2-SD 4.08Å; F81-M85 WeakPolarHBondContact O-CB 3.36Å; F81-M85 PolarHBondContact O-N 2.99Å; Y83-M85 VanDerWaalsContact C-N 3.33Å; Y83-M85 PolarHBondContact O-N 3.27Å; M85-D87 VanDerWaalsContact C-N 3.33Å; M85-D87 PolarHBondContact O-N 3.32Å; M85-V88 PolarHBondContact O-N 3.05Å; M85-M89 HydrophobicContact CE-CE 3.2Å; M85-M89 HydrophobicContact CE-SD 4.06Å; M85-M89 HydrophobicContact CG-CE 4.35Å; M85-M89 HydrophobicContact CG-SD 4.42Å; M85-M89 WeakPolarHBondContact O-CB 3.42Å; M85-M89 VanDerWaalsContact O-CG 3.3Å; M85-M89 WeakPolarHBondContact O-CG 3.03Å; M85-M89 PolarHBondContact O-N 2.97Å; M85-L112 HydrophobicContact CE-CD1 4.41Å; M85-L112 HydrophobicContact CE-CD2 3.54Å; M85-L112 HydrophobicContact CE-CG 4.23Å; M85-L112 HydrophobicContact SD-CD2 3.87Å; M85-I115 HydrophobicContact CB-CD1 4.41Å; M85-I115 HydrophobicContact CG-CD1 4.27Å
86C95.4Very high94.3Very high2 Ų244.4 Ų44.41%0.01424%0.236CC..Hα-helixtrans-62.2-40.6174.8-66.60000112L82 Y83 K84 T90 I96L82-C86 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-SG 3.37Å; Y83-C86 WeakPolarHBondContact O-CB 3.41Å; Y83-C86 PolarHBondContact O-N 3.42Å; Y83-C86 VanDerWaalsContact O-N 3.11Å; K84-C86 VanDerWaalsContact C-N 3.33Å; K84-C86 PolarHBondContact O-N 3.47Å; C86-T90 WeakPolarHBondContact O-CB 3.45Å; C86-T90 PolarHBondContact O-N 3.44Å; C86-T90 PolarHBondContact O-OG1 3.12Å; C86-I96 HydrophobicContact CB-CD1 3.76Å
87D93.2Very high94.3Very high89 Ų8942.4 Ų42.448%0.47622%0.218SC..Hα-helixtrans-66.5-42.9179.2-65.9-16.9000111Y83 K84 M85 T90 A91Y83-D87 PolarHBondContact O-N 3.17Å; K84-D87 PolarHBondContact O-N 2.92Å; K84-D87 VanDerWaalsContact O-N 3.13Å; M85-D87 VanDerWaalsContact C-N 3.33Å; M85-D87 PolarHBondContact O-N 3.32Å; D87-T90 PolarHBondContact O-N 3.26Å; D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 2.71Å
88V93.1Very high94.2Very high4 Ų441 Ų412%0.02421%0.21CC..Hα-helixtrans-59.5-51.7174.3169.60000110.3K84 M85 T90 A91 Y92 L111 S124 T126 L129K84-V88 VanDerWaalsContact O-CG2 3.29Å; K84-V88 WeakPolarHBondContact O-CG2 3.41Å; K84-V88 PolarHBondContact O-N 3.05Å; M85-V88 PolarHBondContact O-N 3.05Å; V88-T90 VanDerWaalsContact C-N 3.26Å; V88-T90 PolarHBondContact O-N 3.07Å; V88-A91 PolarHBondContact O-N 3.33Å; V88-A91 VanDerWaalsContact O-N 3.13Å; V88-Y92 HydrophobicContact CG1-CD2 3.97Å; V88-Y92 HydrophobicContact CG1-CE2 4.07Å; V88-Y92 WeakPolarHBondContact O-CD2 3.4Å; V88-Y92 PolarHBondContact O-N 2.93Å; V88-L111 HydrophobicContact CG1-CD1 4.2Å; V88-L111 HydrophobicContact CG1-CD2 4.02Å; V88-S124 WeakPolarHBondContact CG2-O 3.47Å; V88-T126 HydrophobicContact CB-CG2 4.22Å; V88-T126 HydrophobicContact CG1-CG2 4.05Å; V88-T126 HydrophobicContact CG2-CG2 4.1Å; V88-L129 HydrophobicContact CG1-CD1 4.01Å; V88-L129 HydrophobicContact CG2-CD1 4.27Å
89M93.8Very high94.1Very high5 Ų547.1 Ų47.13%0.02524%0.239CC..Hα-helixtrans-53.8-45.4175.2-78.5-178.8165.800111.9I7 M85 A91 Y92 F93 I96 I108I7-M89 HydrophobicContact CD1-CE 3.79Å; M85-M89 HydrophobicContact CE-CE 3.2Å; M85-M89 HydrophobicContact CE-SD 4.06Å; M85-M89 HydrophobicContact CG-CE 4.35Å; M85-M89 HydrophobicContact CG-SD 4.42Å; M85-M89 WeakPolarHBondContact O-CB 3.42Å; M85-M89 VanDerWaalsContact O-CG 3.3Å; M85-M89 WeakPolarHBondContact O-CG 3.03Å; M85-M89 PolarHBondContact O-N 2.97Å; M89-A91 VanDerWaalsContact C-N 3.32Å; M89-A91 PolarHBondContact O-N 2.92Å; M89-Y92 PolarHBondContact O-N 2.9Å; M89-F93 HydrophobicContact CB-CE1 3.87Å; M89-F93 HydrophobicContact CB-CE2 4.07Å; M89-F93 HydrophobicContact CB-CZ 3.41Å; M89-F93 VanDerWaalsContact CB-CZ 3.41Å; M89-F93 HydrophobicContact CG-CE1 3.91Å; M89-F93 HydrophobicContact CG-CZ 3.59Å; M89-F93 WeakPolarHBondContact O-CD1 3.47Å; M89-F93 PolarHBondContact O-N 3.05Å; M89-F93 HydrophobicContact SD-CZ 4.14Å; M89-I96 HydrophobicContact CB-CD1 4.11Å; M89-I96 HydrophobicContact CB-CG1 4.22Å; M89-I96 HydrophobicContact SD-CD1 4.49Å; M89-I108 HydrophobicContact CE-CB 4.35Å; M89-I108 HydrophobicContact CE-CD1 4.14Å; M89-I108 HydrophobicContact CE-CG1 3.97Å; M89-I108 HydrophobicContact CE-CG2 3.52Å
90T93.2Very high93.9Very high67 Ų6747.5 Ų47.541%0.41124%0.242SC..Hα-helixtrans-65.2-37.7-179.6-55.80000112.4C86 D87 V88 Y92 G94C86-T90 WeakPolarHBondContact O-CB 3.45Å; C86-T90 PolarHBondContact O-N 3.44Å; C86-T90 PolarHBondContact O-OG1 3.12Å; D87-T90 PolarHBondContact O-N 3.26Å; V88-T90 VanDerWaalsContact C-N 3.26Å; V88-T90 PolarHBondContact O-N 3.07Å; T90-Y92 VanDerWaalsContact C-N 3.33Å; T90-Y92 PolarHBondContact O-N 2.83Å; T90-G94 WeakPolarHBondContact CA-O 3.29Å; T90-G94 WeakPolarHBondContact O-CA 3.39Å; T90-G94 PolarHBondContact O-N 3.3Å
91A89.9Confident93.9Very high43 Ų4342.7 Ų42.736%0.35522%0.22SC..Hα-helixtrans-70.5-26.917600000113.2D87 V88 M89 T126 K130D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 2.71Å; V88-A91 PolarHBondContact O-N 3.33Å; V88-A91 VanDerWaalsContact O-N 3.13Å; M89-A91 VanDerWaalsContact C-N 3.32Å; M89-A91 PolarHBondContact O-N 2.92Å; A91-T126 HydrophobicContact CB-CG2 3.73Å; A91-K130 WeakPolarHBondContact O-CE 3.23Å; A91-K130 PolarHBondContact O-NZ 3.19Å
92Y90.7Very high93.8Very high22 Ų2247.7 Ų47.79%0.08624%0.242CC..Hα-helixtrans-82.8-50.7178.2-92.7-91.2000113.1V88 M89 T90 L107 L111 T126 L129 K130 I133 Q135V88-Y92 HydrophobicContact CG1-CD2 3.97Å; V88-Y92 HydrophobicContact CG1-CE2 4.07Å; V88-Y92 WeakPolarHBondContact O-CD2 3.4Å; V88-Y92 PolarHBondContact O-N 2.93Å; M89-Y92 PolarHBondContact O-N 2.9Å; T90-Y92 VanDerWaalsContact C-N 3.33Å; T90-Y92 PolarHBondContact O-N 2.83Å; Y92-L107 HydrophobicContact CD1-CD1 4.05Å; Y92-L107 HydrophobicContact CD1-CD2 3.89Å; Y92-L107 HydrophobicContact CD1-CG 4.5Å; Y92-L107 HydrophobicContact CE1-CD1 4.01Å; Y92-L107 HydrophobicContact CG-CD2 4.29Å; Y92-L111 HydrophobicContact CD2-CD1 4.16Å; Y92-L111 HydrophobicContact CD2-CD2 4.31Å; Y92-L111 HydrophobicContact CE2-CD1 4.37Å; Y92-L111 HydrophobicContact CE2-CD2 3.71Å; Y92-L111 HydrophobicContact CG-CD1 4.37Å; Y92-T126 HydrophobicContact CD2-CG2 4.06Å; Y92-T126 HydrophobicContact CE2-CG2 3.89Å; Y92-L129 HydrophobicContact CE2-CB 4.34Å; Y92-L129 WeakPolarHBondContact OH-CB 3.22Å; Y92-L129 PolarHBondContact OH-O 3.5Å; Y92-L129 VanDerWaalsContact OH-O 3.11Å; Y92-K130 HydrophobicContact CD2-CG 4.49Å; Y92-K130 HydrophobicContact CE1-CG 3.84Å; Y92-K130 HydrophobicContact CE2-CG 3.79Å; Y92-K130 VanDerWaalsContact CZ-CG 3.44Å; Y92-K130 VanDerWaalsContact OH-CA 3.24Å; Y92-K130 WeakPolarHBondContact OH-CA 3.32Å; Y92-K130 WeakPolarHBondContact OH-CG 3.39Å; Y92-K130 PolarHBondContact OH-N 2.97Å; Y92-K130 VanDerWaalsContact OH-N 3.07Å; Y92-I133 HydrophobicContact CE1-CG2 4.36Å; Y92-I133 VanDerWaalsContact CE1-O 3.3Å; Y92-I133 WeakPolarHBondContact CE1-O 3.41Å; Y92-I133 PolarHBondContact OH-O 2.97Å; Y92-Q135 VanDerWaalsContact C-NE2 3.33Å; Y92-Q135 PolarHBondContact O-NE2 2.69Å
93F91.6Very high93.6Very high27 Ų2753.1 Ų53.112%0.11827%0.27CS..Hα-helixtrans-130.513.7-171.653.8-103.7000113.7M89 I96 N100 N104 L107 I108M89-F93 HydrophobicContact CB-CE1 3.87Å; M89-F93 HydrophobicContact CB-CE2 4.07Å; M89-F93 HydrophobicContact CB-CZ 3.41Å; M89-F93 VanDerWaalsContact CB-CZ 3.41Å; M89-F93 HydrophobicContact CG-CE1 3.91Å; M89-F93 HydrophobicContact CG-CZ 3.59Å; M89-F93 WeakPolarHBondContact O-CD1 3.47Å; M89-F93 PolarHBondContact O-N 3.05Å; M89-F93 HydrophobicContact SD-CZ 4.14Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; F93-N100 HydrophobicContact CD2-CB 3.89Å; F93-N100 HydrophobicContact CE2-CB 4.19Å; F93-N100 PolarHBondContact O-ND2 3.26Å; F93-N104 HydrophobicContact CD1-CB 4.1Å; F93-N104 HydrophobicContact CE1-CB 4.39Å; F93-L107 HydrophobicContact CD1-CD2 4.13Å; F93-I108 HydrophobicContact CE1-CD1 4.2Å; F93-I108 HydrophobicContact CE1-CG1 4.04Å; F93-I108 HydrophobicContact CZ-CD1 4.14Å; F93-I108 HydrophobicContact CZ-CG1 4.41Å
94G91.6Very high93.5Very high32 Ų3250.3 Ų50.333%0.3326%0.261SS..SBendtrans75-129.3175.200000112.8T90 I96T90-G94 WeakPolarHBondContact CA-O 3.29Å; T90-G94 WeakPolarHBondContact O-CA 3.39Å; T90-G94 PolarHBondContact O-N 3.3Å; G94-I96 PolarHBondContact O-N 2.88Å
95K92.6Very high93.5Very high150 Ų15050.5 Ų50.565%0.65226%0.262SS*.SBendtrans-59.5132.7-172.4-175.1179.7177-174.70111.7S97 N100K95-S97 PolarHBondContact O-N 3.01Å; K95-N100 PolarHBondContact O-ND2 3.25Å
96I93.9Very high93.3Very high15 Ų1555.2 Ų55.28%0.07729%0.291CS..  trans-78.5102.9171.3-55.3176.2000108.7I63 C86 M89 F93 G94 I101I63-I96 HydrophobicContact CB-CG2 4.47Å; I63-I96 HydrophobicContact CG1-CG2 4.39Å; I63-I96 HydrophobicContact CG2-CG2 4.38Å; C86-I96 HydrophobicContact CB-CD1 3.76Å; M89-I96 HydrophobicContact CB-CD1 4.11Å; M89-I96 HydrophobicContact CB-CG1 4.22Å; M89-I96 HydrophobicContact SD-CD1 4.49Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; G94-I96 PolarHBondContact O-N 2.88Å; I96-I101 HydrophobicContact CG2-CD1 4.02Å; I96-I101 HydrophobicContact CG2-CG1 4.49Å
97S95.1Very high93.2Very high26 Ų2655.7 Ų55.718%0.18229%0.294CS..  trans-130.2163.8176.368.90000110.3K95 E99 N100 I101K95-S97 PolarHBondContact O-N 3.01Å; S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.43Å; S97-N100 PolarHBondContact O-N 3.22Å; S97-N100 WeakPolarHBondContact OG-CB 3.3Å; S97-N100 PolarHBondContact OG-N 2.74Å; S97-N100 VanDerWaalsContact OG-N 3.14Å; S97-I101 WeakPolarHBondContact O-CD1 3.42Å; S97-I101 WeakPolarHBondContact O-CG1 3.41Å; S97-I101 PolarHBondContact O-N 2.98Å
98E95.2Very high93.3Very high54 Ų5451.5 Ų51.525%0.25227%0.271SS..Hα-helixtrans-59.2-42.1177.1-178.7171.6162.800111.9N9 L15 I63 I101 K102N9-E98 WeakPolarHBondContact CB-OE2 3.34Å; N9-E98 PolarHBondContact ND2-OE2 3.24Å; L15-E98 HydrophobicContact CD1-CB 4.27Å; L15-E98 HydrophobicContact CD1-CG 3.94Å; L15-E98 HydrophobicContact CD2-CG 3.84Å; I63-E98 HydrophobicContact CD1-CB 4.06Å; E98-I101 PolarHBondContact O-N 3.46Å; E98-K102 HydrophobicContact CG-CD 4.2Å; E98-K102 WeakPolarHBondContact O-CG 3.15Å; E98-K102 PolarHBondContact O-N 2.82Å; E98-K102 IonicContact OE1-NZ 3.14Å; E98-K102 PolarHBondContact OE1-NZ 3.25Å
99E94.3Very high93.4Very high131 Ų13153.5 Ų53.561%0.61228%0.279SS*.Hα-helixtrans-60.1-49.6175.4-179.5-177.117800111.8S97 I101 K102 N103S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.43Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 2.93Å; E99-K102 PolarHBondContact O-N 3.28Å; E99-N103 WeakPolarHBondContact O-CB 3.49Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 3.12Å
100N94.4Very high93.4Very high38 Ų3857.7 Ų57.720%0.20330%0.298CS..Hα-helixtrans-65.7-35.3-178.5-76.5-4.6000112.1F93 K95 S97 N104F93-N100 HydrophobicContact CD2-CB 3.89Å; F93-N100 HydrophobicContact CE2-CB 4.19Å; F93-N100 PolarHBondContact O-ND2 3.26Å; K95-N100 PolarHBondContact O-ND2 3.25Å; S97-N100 PolarHBondContact O-N 3.22Å; S97-N100 WeakPolarHBondContact OG-CB 3.3Å; S97-N100 PolarHBondContact OG-N 2.74Å; S97-N100 VanDerWaalsContact OG-N 3.14Å; N100-N104 WeakPolarHBondContact O-CB 3.3Å; N100-N104 PolarHBondContact O-N 3.31Å; N100-N104 VanDerWaalsContact O-N 3.07Å; N100-N104 PolarHBondContact O-ND2 2.8Å
101I94.7Very high93.5Very high1 Ų154.7 Ų54.71%0.00528%0.28CS..Hα-helixtrans-64.6-46.1174.6-69.3161.6000110.6I7 L15 I16 I63 I96 S97 E98 E99 N104 F105 I108I7-I101 HydrophobicContact CG2-CD1 3.85Å; L15-I101 HydrophobicContact CB-CG2 3.89Å; L15-I101 HydrophobicContact CD1-CB 4.49Å; L15-I101 HydrophobicContact CD1-CD1 3.96Å; L15-I101 HydrophobicContact CD1-CG2 4.36Å; I16-I101 HydrophobicContact CD1-CG2 4.06Å; I16-I101 HydrophobicContact CG1-CG2 3.7Å; I63-I101 HydrophobicContact CD1-CD1 4.16Å; I63-I101 HydrophobicContact CG1-CD1 4.13Å; I63-I101 HydrophobicContact CG2-CD1 3.81Å; I96-I101 HydrophobicContact CG2-CD1 4.02Å; I96-I101 HydrophobicContact CG2-CG1 4.49Å; S97-I101 WeakPolarHBondContact O-CD1 3.42Å; S97-I101 WeakPolarHBondContact O-CG1 3.41Å; S97-I101 PolarHBondContact O-N 2.98Å; E98-I101 PolarHBondContact O-N 3.46Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 2.93Å; I101-N104 CarbonylContact O-C 3.52Å; I101-N104 PolarHBondContact O-N 3.12Å; I101-F105 PolarHBondContact O-N 3.07Å; I101-F105 VanDerWaalsContact O-N 3.14Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.22Å; I101-I108 HydrophobicContact CG2-CD1 3.95Å
102K93.9Very high93.7Very high117 Ų11752.8 Ų52.851%0.50926%0.263SS..Hα-helixtrans-62.8-44.2178.4-75.3172.8170.9171.40111.9E98 E99 N104E98-K102 HydrophobicContact CG-CD 4.2Å; E98-K102 WeakPolarHBondContact O-CG 3.15Å; E98-K102 PolarHBondContact O-N 2.82Å; E98-K102 IonicContact OE1-NZ 3.14Å; E98-K102 PolarHBondContact OE1-NZ 3.25Å; E99-K102 PolarHBondContact O-N 3.28Å; K102-N104 VanDerWaalsContact C-N 3.29Å; K102-N104 PolarHBondContact O-N 3.04Å
103N93.9Very high93.9Very high113 Ų11355 Ų5560%0.60428%0.276SS*.Hα-helixtrans-71.1-22.6-178.8-67.4-11.5000113.3E99E99-N103 WeakPolarHBondContact O-CB 3.49Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 3.12Å
104N93.9Very high94Very high31 Ų3157.6 Ų57.617%0.16629%0.289CS..THydrogen-bonded Turntrans-11423.7-178.8-63.6-88.1000112.6F93 N100 I101 K102 V106 L107 I108F93-N104 HydrophobicContact CD1-CB 4.1Å; F93-N104 HydrophobicContact CE1-CB 4.39Å; N100-N104 WeakPolarHBondContact O-CB 3.3Å; N100-N104 PolarHBondContact O-N 3.31Å; N100-N104 VanDerWaalsContact O-N 3.07Å; N100-N104 PolarHBondContact O-ND2 2.8Å; I101-N104 CarbonylContact O-C 3.52Å; I101-N104 PolarHBondContact O-N 3.12Å; K102-N104 VanDerWaalsContact C-N 3.29Å; K102-N104 PolarHBondContact O-N 3.04Å; N104-V106 PolarHBondContact O-N 2.92Å; N104-L107 HydrophobicContact CB-CB 4.42Å; N104-L107 HydrophobicContact CB-CD2 4.31Å; N104-L107 WeakPolarHBondContact O-CB 3.24Å; N104-L107 PolarHBondContact O-N 3.45Å; N104-I108 HydrophobicContact CB-CD1 4.39Å; N104-I108 HydrophobicContact CB-CG1 4.49Å; N104-I108 VanDerWaalsContact O-CG1 3.31Å; N104-I108 WeakPolarHBondContact O-CG1 3.38Å; N104-I108 PolarHBondContact O-N 3.08Å
105F93.2Very high94.1Very high91 Ų9156.2 Ų56.240%0.39927%0.274SS..Hα-helixtrans-54.5-49-172.6-172.3-88.8000112.3L15 I16 I101 L107 I108 Y109L15-F105 VanDerWaalsContact O-CE2 3.32Å; L15-F105 WeakPolarHBondContact O-CE2 3.48Å; I16-F105 HydrophobicContact CD1-CD2 3.3Å; I16-F105 HydrophobicContact CD1-CE2 3.56Å; I16-F105 HydrophobicContact CD1-CG 4.06Å; I16-F105 HydrophobicContact CD1-CZ 4.48Å; I101-F105 PolarHBondContact O-N 3.07Å; I101-F105 VanDerWaalsContact O-N 3.14Å; F105-L107 PolarHBondContact O-N 3.28Å; F105-I108 PolarHBondContact O-N 3.37Å; F105-I108 VanDerWaalsContact O-N 3.12Å; F105-Y109 AromaticContact CD1-CD2 3.58Å; F105-Y109 HydrophobicContact CD1-CD2 3.58Å; F105-Y109 AromaticContact CD1-CE2 3.57Å; F105-Y109 HydrophobicContact CD1-CE2 3.57Å; F105-Y109 AromaticContact CD2-CE2 3.94Å; F105-Y109 HydrophobicContact CD2-CE2 3.94Å; F105-Y109 AromaticContact CE1-CD2 3.46Å; F105-Y109 HydrophobicContact CE1-CD2 3.46Å; F105-Y109 VanDerWaalsContact CE1-CD2 3.46Å; F105-Y109 AromaticContact CE1-CE2 3.06Å; F105-Y109 HydrophobicContact CE1-CE2 3.06Å; F105-Y109 AromaticContact CE1-CZ 3.9Å; F105-Y109 HydrophobicContact CE2-CD2 4.43Å; F105-Y109 AromaticContact CE2-CE2 3.5Å; F105-Y109 HydrophobicContact CE2-CE2 3.5Å; F105-Y109 VanDerWaalsContact CE2-CE2 3.5Å; F105-Y109 HydrophobicContact CG-CD2 4.16Å; F105-Y109 AromaticContact CG-CE2 4Å; F105-Y109 HydrophobicContact CG-CE2 4Å; F105-Y109 AromaticContact CZ-CD2 3.94Å; F105-Y109 HydrophobicContact CZ-CD2 3.94Å; F105-Y109 AromaticContact CZ-CE2 3.04Å; F105-Y109 HydrophobicContact CZ-CE2 3.04Å; F105-Y109 AromaticContact CZ-CZ 3.63Å; F105-Y109 VanDerWaalsContact O-CD2 3.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.35Å; F105-Y109 PolarHBondContact O-N 3.07Å; F105-Y109 VanDerWaalsContact O-N 3.08Å
106V92.7Very high94.3Very high102 Ų10249 Ų4962%0.61824%0.243SC*.Hα-helixtrans-56.9-51.7179-179.80000111.5N104 I108 Y109 E110N104-V106 PolarHBondContact O-N 2.92Å; V106-I108 VanDerWaalsContact C-N 3.26Å; V106-I108 PolarHBondContact O-N 2.91Å; V106-Y109 PolarHBondContact O-N 2.88Å; V106-Y109 VanDerWaalsContact O-N 3.12Å; V106-E110 PolarHBondContact O-N 3.2Å
107L92.2Very high94.3Very high12 Ų1253.2 Ų53.26%0.06327%0.265CS..Hα-helixtrans-55.9-41.1176.6174.772.3000112Y92 F93 N104 F105 Y109 E110 L111 I133 Q135Y92-L107 HydrophobicContact CD1-CD1 4.05Å; Y92-L107 HydrophobicContact CD1-CD2 3.89Å; Y92-L107 HydrophobicContact CD1-CG 4.5Å; Y92-L107 HydrophobicContact CE1-CD1 4.01Å; Y92-L107 HydrophobicContact CG-CD2 4.29Å; F93-L107 HydrophobicContact CD1-CD2 4.13Å; N104-L107 HydrophobicContact CB-CB 4.42Å; N104-L107 HydrophobicContact CB-CD2 4.31Å; N104-L107 WeakPolarHBondContact O-CB 3.24Å; N104-L107 PolarHBondContact O-N 3.45Å; F105-L107 PolarHBondContact O-N 3.28Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-E110 PolarHBondContact O-N 3.18Å; L107-L111 HydrophobicContact CD1-CD1 4.26Å; L107-L111 HydrophobicContact CD1-CG 4.29Å; L107-L111 HydrophobicContact CD2-CD1 4.41Å; L107-L111 HydrophobicContact CG-CD1 3.91Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.41Å; L107-L111 PolarHBondContact O-N 3.11Å; L107-I133 HydrophobicContact CD1-CG2 3.41Å; L107-I133 VanDerWaalsContact CD1-CG2 3.41Å; L107-Q135 HydrophobicContact CD1-CG 4.43Å; L107-Q135 HydrophobicContact CD2-CG 3.63Å
108I95.3Very high94.3Very high0 Ų056.8 Ų56.80%028%0.278CS..Hα-helixtrans-66-39.1-179.3-67.7169000110.9I16 M89 F93 I101 N104 F105 V106 L112I16-I108 HydrophobicContact CD1-CB 4.32Å; I16-I108 HydrophobicContact CD1-CG2 3.94Å; I16-I108 HydrophobicContact CG1-CG2 4.05Å; I16-I108 HydrophobicContact CG2-CG2 4.38Å; M89-I108 HydrophobicContact CE-CB 4.35Å; M89-I108 HydrophobicContact CE-CD1 4.14Å; M89-I108 HydrophobicContact CE-CG1 3.97Å; M89-I108 HydrophobicContact CE-CG2 3.52Å; F93-I108 HydrophobicContact CE1-CD1 4.2Å; F93-I108 HydrophobicContact CE1-CG1 4.04Å; F93-I108 HydrophobicContact CZ-CD1 4.14Å; F93-I108 HydrophobicContact CZ-CG1 4.41Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.22Å; I101-I108 HydrophobicContact CG2-CD1 3.95Å; N104-I108 HydrophobicContact CB-CD1 4.39Å; N104-I108 HydrophobicContact CB-CG1 4.49Å; N104-I108 VanDerWaalsContact O-CG1 3.31Å; N104-I108 WeakPolarHBondContact O-CG1 3.38Å; N104-I108 PolarHBondContact O-N 3.08Å; F105-I108 PolarHBondContact O-N 3.37Å; F105-I108 VanDerWaalsContact O-N 3.12Å; V106-I108 VanDerWaalsContact C-N 3.26Å; V106-I108 PolarHBondContact O-N 2.91Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.29Å; I108-L112 VanDerWaalsContact O-CB 3.26Å; I108-L112 WeakPolarHBondContact O-CB 3.44Å; I108-L112 WeakPolarHBondContact O-CG 3.24Å; I108-L112 PolarHBondContact O-N 2.94Å
109Y95.3Very high94.2Very high47 Ų4754.2 Ų54.218%0.18427%0.266CS..Hα-helixtrans-65.6-44.4174.8-85.1-85.7000112I16 S17 R18 F105 V106 L107 L111 L112 D113I16-Y109 HydrophobicContact CD1-CD2 4.3Å; I16-Y109 HydrophobicContact CD1-CE2 3.67Å; I16-Y109 HydrophobicContact CG2-CE2 4.11Å; S17-Y109 PolarHBondContact N-OH 2.78Å; S17-Y109 VanDerWaalsContact N-OH 3.13Å; S17-Y109 WeakPolarHBondContact O-CE1 3.47Å; S17-Y109 PolarHBondContact O-OH 2.92Å; R18-Y109 HydrophobicContact CB-CE1 4.46Å; F105-Y109 AromaticContact CD1-CD2 3.58Å; F105-Y109 HydrophobicContact CD1-CD2 3.58Å; F105-Y109 AromaticContact CD1-CE2 3.57Å; F105-Y109 HydrophobicContact CD1-CE2 3.57Å; F105-Y109 AromaticContact CD2-CE2 3.94Å; F105-Y109 HydrophobicContact CD2-CE2 3.94Å; F105-Y109 AromaticContact CE1-CD2 3.46Å; F105-Y109 HydrophobicContact CE1-CD2 3.46Å; F105-Y109 VanDerWaalsContact CE1-CD2 3.46Å; F105-Y109 AromaticContact CE1-CE2 3.06Å; F105-Y109 HydrophobicContact CE1-CE2 3.06Å; F105-Y109 AromaticContact CE1-CZ 3.9Å; F105-Y109 HydrophobicContact CE2-CD2 4.43Å; F105-Y109 AromaticContact CE2-CE2 3.5Å; F105-Y109 HydrophobicContact CE2-CE2 3.5Å; F105-Y109 VanDerWaalsContact CE2-CE2 3.5Å; F105-Y109 HydrophobicContact CG-CD2 4.16Å; F105-Y109 AromaticContact CG-CE2 4Å; F105-Y109 HydrophobicContact CG-CE2 4Å; F105-Y109 AromaticContact CZ-CD2 3.94Å; F105-Y109 HydrophobicContact CZ-CD2 3.94Å; F105-Y109 AromaticContact CZ-CE2 3.04Å; F105-Y109 HydrophobicContact CZ-CE2 3.04Å; F105-Y109 AromaticContact CZ-CZ 3.63Å; F105-Y109 VanDerWaalsContact O-CD2 3.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.35Å; F105-Y109 PolarHBondContact O-N 3.07Å; F105-Y109 VanDerWaalsContact O-N 3.08Å; V106-Y109 PolarHBondContact O-N 2.88Å; V106-Y109 VanDerWaalsContact O-N 3.12Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-L111 PolarHBondContact O-N 3.2Å; Y109-L112 PolarHBondContact O-N 3.41Å; Y109-D113 PolarHBondContact O-N 2.81Å
110E94.1Very high94.2Very high93 Ų9353.5 Ų53.544%0.43526%0.258SS..Hα-helixtrans-58.8-47.2175-69.5175.3-179.700111.5V106 L107 L112 D113 E114 I133V106-E110 PolarHBondContact O-N 3.2Å; L107-E110 PolarHBondContact O-N 3.18Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 3.01Å; E110-D113 PolarHBondContact O-N 3.24Å; E110-E114 PolarHBondContact O-N 3.43Å; E110-E114 VanDerWaalsContact O-N 3.08Å; E110-I133 HydrophobicContact CB-CG2 4.43Å
111L94.8Very high94.2Very high4 Ų453.8 Ų53.82%0.02126%0.262CS..Hα-helixtrans-60-44.9176.1-74171.1000111.6V88 Y92 L107 Y109 D113 E114 I115 L129 I133V88-L111 HydrophobicContact CG1-CD1 4.2Å; V88-L111 HydrophobicContact CG1-CD2 4.02Å; Y92-L111 HydrophobicContact CD2-CD1 4.16Å; Y92-L111 HydrophobicContact CD2-CD2 4.31Å; Y92-L111 HydrophobicContact CE2-CD1 4.37Å; Y92-L111 HydrophobicContact CE2-CD2 3.71Å; Y92-L111 HydrophobicContact CG-CD1 4.37Å; L107-L111 HydrophobicContact CD1-CD1 4.26Å; L107-L111 HydrophobicContact CD1-CG 4.29Å; L107-L111 HydrophobicContact CD2-CD1 4.41Å; L107-L111 HydrophobicContact CG-CD1 3.91Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.41Å; L107-L111 PolarHBondContact O-N 3.11Å; Y109-L111 PolarHBondContact O-N 3.2Å; L111-D113 VanDerWaalsContact C-N 3.29Å; L111-D113 PolarHBondContact O-N 3.38Å; L111-E114 PolarHBondContact O-N 3.47Å; L111-I115 WeakPolarHBondContact O-CG1 3.08Å; L111-I115 WeakPolarHBondContact O-CG2 3.33Å; L111-I115 PolarHBondContact O-N 3.27Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; L111-I133 HydrophobicContact CD2-CB 4.5Å; L111-I133 HydrophobicContact CD2-CD1 3.87Å; L111-I133 HydrophobicContact CD2-CG2 3.99Å; L111-I133 HydrophobicContact CG-CG2 4.23Å
112L95.6Very high94.1Very high2 Ų258 Ų581%0.0128%0.282CS..Hα-helixtrans-64.1-33.8-179.1-83178.8000113.1L5 I16 R18 Y20 M85 I108 Y109 E110 L116L5-L112 HydrophobicContact CD1-CD2 4.47Å; L5-L112 HydrophobicContact CD2-CD1 4.39Å; L5-L112 HydrophobicContact CD2-CD2 4.1Å; I16-L112 HydrophobicContact CG2-CD1 3.75Å; R18-L112 HydrophobicContact CB-CD1 3.98Å; R18-L112 HydrophobicContact CG-CD1 4.43Å; Y20-L112 WeakPolarHBondContact OH-CB 3.5Å; Y20-L112 PolarHBondContact OH-O 3.07Å; M85-L112 HydrophobicContact CE-CD1 4.41Å; M85-L112 HydrophobicContact CE-CD2 3.54Å; M85-L112 HydrophobicContact CE-CG 4.23Å; M85-L112 HydrophobicContact SD-CD2 3.87Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.29Å; I108-L112 VanDerWaalsContact O-CB 3.26Å; I108-L112 WeakPolarHBondContact O-CB 3.44Å; I108-L112 WeakPolarHBondContact O-CG 3.24Å; I108-L112 PolarHBondContact O-N 2.94Å; Y109-L112 PolarHBondContact O-N 3.41Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 3.01Å; L112-L116 PolarHBondContact O-N 3.11Å
113D93.4Very high93.7Very high68 Ų6855.8 Ų55.836%0.36428%0.275SS..Hα-helixtrans-75.2-34.1177.2-73.4-13.3000111.8R18 Y109 E110 L111R18-D113 IonicContact CZ-OD1 2.98Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 IonicContact NE-OD1 2.68Å; R18-D113 PolarHBondContact NE-OD1 3.45Å; R18-D113 IonicContact NE-OD2 3.84Å; R18-D113 IonicContact NH2-OD1 2.67Å; R18-D113 PolarHBondContact NH2-OD1 3.15Å; R18-D113 IonicContact NH2-OD2 2.84Å; R18-D113 PolarHBondContact NH2-OD2 3.24Å; Y109-D113 PolarHBondContact O-N 2.81Å; E110-D113 PolarHBondContact O-N 3.24Å; L111-D113 VanDerWaalsContact C-N 3.29Å; L111-D113 PolarHBondContact O-N 3.38Å
114E93.3Very high93.5Very high83 Ų8351.7 Ų51.739%0.38826%0.256SS..Hα-helixtrans-75.7-43.4177.5-170.564-154.200112.6E110 L111 Q122 L129 F132 I133E110-E114 PolarHBondContact O-N 3.43Å; E110-E114 VanDerWaalsContact O-N 3.08Å; L111-E114 PolarHBondContact O-N 3.47Å; E114-Q122 VanDerWaalsContact O-CB 3.31Å; E114-Q122 WeakPolarHBondContact O-CB 3.44Å; E114-L129 HydrophobicContact CB-CD2 4.35Å; E114-L129 HydrophobicContact CG-CD2 3.62Å; E114-F132 HydrophobicContact CG-CE2 3.73Å; E114-F132 HydrophobicContact CG-CZ 3.99Å; E114-I133 HydrophobicContact CB-CD1 3.79Å; E114-I133 HydrophobicContact CG-CD1 4.03Å
115I95.5Very high93.1Very high2 Ų251.6 Ų51.61%0.0125%0.254CS..Hα-helixtrans-86.2-9-17373.2-171.7000113.4F81 M85 L111 Q122 L129F81-I115 HydrophobicContact CE2-CB 4.43Å; F81-I115 HydrophobicContact CE2-CD1 4.17Å; F81-I115 HydrophobicContact CE2-CG1 3.86Å; F81-I115 HydrophobicContact CZ-CD1 4.22Å; F81-I115 HydrophobicContact CZ-CG1 4.05Å; M85-I115 HydrophobicContact CB-CD1 4.41Å; M85-I115 HydrophobicContact CG-CD1 4.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.08Å; L111-I115 WeakPolarHBondContact O-CG2 3.33Å; L111-I115 PolarHBondContact O-N 3.27Å; I115-Q122 PolarHBondContact O-N 2.89Å; I115-L129 HydrophobicContact CG2-CD1 3.76Å; I115-L129 HydrophobicContact CG2-CD2 4.08Å
116L95.9Very high92.7Very high0 Ų049.3 Ų49.30%025%0.248CC..EExtended strand (participates in β ladder)trans-149.7103.5-177.7-173.363.6000110I2 Y20 F81 L112 G119 Y120 P121I2-L116 HydrophobicContact CB-CD2 4.47Å; I2-L116 HydrophobicContact CD1-CD1 4.31Å; I2-L116 HydrophobicContact CD1-CD2 4.35Å; I2-L116 HydrophobicContact CG2-CD2 4.31Å; Y20-L116 HydrophobicContact CD1-CG 4.45Å; Y20-L116 HydrophobicContact CD2-CD2 3.8Å; Y20-L116 HydrophobicContact CD2-CG 4.35Å; Y20-L116 HydrophobicContact CE1-CB 4.18Å; Y20-L116 HydrophobicContact CE1-CD2 4.28Å; Y20-L116 HydrophobicContact CE1-CG 4.05Å; Y20-L116 WeakPolarHBondContact CE1-O 3.3Å; Y20-L116 HydrophobicContact CE2-CD2 3.26Å; Y20-L116 HydrophobicContact CE2-CG 3.94Å; Y20-L116 HydrophobicContact CG-CD2 4.48Å; F81-L116 HydrophobicContact CE1-CD2 3.71Å; F81-L116 HydrophobicContact CE2-CB 4.02Å; F81-L116 HydrophobicContact CE2-CD1 4.27Å; F81-L116 HydrophobicContact CE2-CD2 4.49Å; F81-L116 HydrophobicContact CZ-CB 3.73Å; F81-L116 HydrophobicContact CZ-CD1 4.16Å; F81-L116 HydrophobicContact CZ-CD2 3.63Å; F81-L116 HydrophobicContact CZ-CG 4.05Å; L112-L116 PolarHBondContact O-N 3.11Å; L116-G119 WeakPolarHBondContact CD1-O 3.38Å; L116-Y120 VanDerWaalsContact CD1-C 3.45Å; L116-P121 HydrophobicContact CD1-CB 4.39Å; L116-P121 HydrophobicContact CD1-CG 3.96Å
117D94.5Very high92.1Very high102 Ų10246.6 Ų46.655%0.54524%0.24SC..EExtended strand (participates in β ladder)trans-106.5124.5178.9-177.819000110.6G119 Y120 Q122D117-G119 PolarHBondContact O-N 3.35Å; D117-Y120 PolarHBondContact N-O 3.41Å; D117-Y120 WeakPolarHBondContact O-CA 3.26Å; D117-Y120 WeakPolarHBondContact O-CB 3.47Å; D117-Y120 WeakPolarHBondContact O-CD2 3.46Å; D117-Y120 PolarHBondContact O-N 2.85Å; D117-Q122 HydrophobicContact CB-CG 4.12Å
118F94Very high91.5Very high101 Ų10146.2 Ų46.244%0.44324%0.239SC..THydrogen-bonded Turntrans47.830-177.2-161.1-135.5000113.6Y20 R21 Y120Y20-F118 WeakPolarHBondContact O-CD2 3.35Å; Y20-F118 WeakPolarHBondContact O-CE2 3.29Å; R21-F118 PolarHBondContact NE-O 3.2Å; R21-F118 PolarHBondContact NH2-O 3.37Å; F118-Y120 HydrophobicContact CB-CD2 4.27Å; F118-Y120 HydrophobicContact CD1-CE2 4.04Å
119G92.5Very high91.1Very high0 Ų046.4 Ų46.40%024%0.24CC..THydrogen-bonded Turntrans85.50.4-177.900000116.1M1 I2 L116 D117 P121M1-G119 WeakPolarHBondContact CB-O 3.43Å; M1-G119 WeakPolarHBondContact CE-O 3.38Å; I2-G119 PolarHBondContact N-O 3.36Å; I2-G119 WeakPolarHBondContact O-CA 3.45Å; L116-G119 WeakPolarHBondContact CD1-O 3.38Å; D117-G119 PolarHBondContact O-N 3.35Å; G119-P121 WeakPolarHBondContact O-CD 3.42Å
120Y94.4Very high90.6Very high117 Ų11748.8 Ų48.846%0.45925%0.251SS..EExtended strand (participates in β ladder)trans-90.3113.4173.2-62.5-88000110M1 L116 D117 F118 Q122M1-Y120 HydrophobicContact CB-CE1 4.41Å; M1-Y120 HydrophobicContact CE-CD1 3.79Å; M1-Y120 HydrophobicContact CE-CE1 4.4Å; M1-Y120 HydrophobicContact CE-CG 4.35Å; M1-Y120 HydrophobicContact CG-CD1 3.51Å; M1-Y120 HydrophobicContact CG-CD2 4.41Å; M1-Y120 HydrophobicContact CG-CE1 3.27Å; M1-Y120 HydrophobicContact CG-CE2 4.26Å; M1-Y120 HydrophobicContact CG-CG 4.06Å; M1-Y120 HydrophobicContact SD-CD1 4.18Å; M1-Y120 HydrophobicContact SD-CE1 4.2Å; L116-Y120 VanDerWaalsContact CD1-C 3.45Å; D117-Y120 PolarHBondContact N-O 3.41Å; D117-Y120 WeakPolarHBondContact O-CA 3.26Å; D117-Y120 WeakPolarHBondContact O-CB 3.47Å; D117-Y120 WeakPolarHBondContact O-CD2 3.46Å; D117-Y120 PolarHBondContact O-N 2.85Å; F118-Y120 HydrophobicContact CB-CD2 4.27Å; F118-Y120 HydrophobicContact CD1-CE2 4.04Å; Y120-Q122 PolarHBondContact O-N 2.81Å; Y120-Q122 PolarHBondContact O-NE2 3.13Å
121P95.2Very high89.9Confident44 Ų4445.7 Ų45.729%0.28624%0.239SC..EExtended strand (participates in β ladder)trans-58.1128.8175.6-26.135.9000110.9M77 F81 L116 G119M77-P121 HydrophobicContact SD-CG 4.35Å; F81-P121 HydrophobicContact CB-CG 4.33Å; F81-P121 HydrophobicContact CD2-CB 3.83Å; F81-P121 HydrophobicContact CD2-CG 4.1Å; F81-P121 HydrophobicContact CE2-CB 4.43Å; F81-P121 HydrophobicContact CG-CB 4.44Å; F81-P121 HydrophobicContact CG-CG 4.26Å; L116-P121 HydrophobicContact CD1-CB 4.39Å; L116-P121 HydrophobicContact CD1-CG 3.96Å; G119-P121 WeakPolarHBondContact O-CD 3.42Å
122Q93.3Very high89.2Confident89 Ų8948.4 Ų48.442%0.41625%0.25SS..  trans-101.5-172.8177.3-56.7-56.2-37.800110.3E114 I115 D117 Y120 S124E114-Q122 VanDerWaalsContact O-CB 3.31Å; E114-Q122 WeakPolarHBondContact O-CB 3.44Å; I115-Q122 PolarHBondContact O-N 2.89Å; D117-Q122 HydrophobicContact CB-CG 4.12Å; Y120-Q122 PolarHBondContact O-N 2.81Å; Y120-Q122 PolarHBondContact O-NE2 3.13Å; Q122-S124 PolarHBondContact O-N 3.24Å; Q122-S124 VanDerWaalsContact O-N 3.16Å
123N85.7Confident88.7Confident70 Ų7048.8 Ų48.837%0.37425%0.252SS..  trans-64.5115.5176.8-171.5-16.2000110.7E125N123-E125 VanDerWaalsContact OD1-CB 3.24Å; N123-E125 WeakPolarHBondContact OD1-CB 3.21Å; N123-E125 WeakPolarHBondContact OD1-CG 3.47Å; N123-E125 PolarHBondContact OD1-N 2.83Å
124S89.3Confident88Confident27 Ų2748.1 Ų48.119%0.18925%0.251CS..  trans-106.127.2-179.574.50000113V88 Q122 T126V88-S124 WeakPolarHBondContact CG2-O 3.47Å; Q122-S124 PolarHBondContact O-N 3.24Å; Q122-S124 VanDerWaalsContact O-N 3.16Å; S124-T126 PolarHBondContact O-N 2.95Å
125E85.3Confident86.8Confident30 Ų3049.1 Ų49.114%0.1426%0.256CS..  trans-72.8112.6178.4-76-175.2-147.500111.6N123 G127 A128 L129 G160 W161 Q251N123-E125 VanDerWaalsContact OD1-CB 3.24Å; N123-E125 WeakPolarHBondContact OD1-CB 3.21Å; N123-E125 WeakPolarHBondContact OD1-CG 3.47Å; N123-E125 PolarHBondContact OD1-N 2.83Å; E125-G127 PolarHBondContact O-N 2.96Å; E125-G127 VanDerWaalsContact O-N 3.16Å; E125-A128 HydrophobicContact CB-CB 4.44Å; E125-A128 PolarHBondContact O-N 3.22Å; E125-A128 VanDerWaalsContact O-N 3.07Å; E125-L129 WeakPolarHBondContact O-CG 3.09Å; E125-L129 PolarHBondContact O-N 2.63Å; E125-G160 WeakPolarHBondContact OE2-CA 3.43Å; E125-G160 VanDerWaalsContact OE2-O 3.08Å; E125-W161 WeakPolarHBondContact OE2-CA 3.46Å; E125-W161 WeakPolarHBondContact OE2-CB 3.2Å; E125-W161 PolarHBondContact OE2-N 3Å; E125-Q251 PolarHBondContact OE1-NE2 3.29Å
126T84.9Confident85.1Confident43 Ų4355.9 Ų55.926%0.26429%0.287SS..Hα-helixtrans-61.4-28.9-175.74.20000114.4V88 A91 Y92 S124 K130V88-T126 HydrophobicContact CB-CG2 4.22Å; V88-T126 HydrophobicContact CG1-CG2 4.05Å; V88-T126 HydrophobicContact CG2-CG2 4.1Å; A91-T126 HydrophobicContact CB-CG2 3.73Å; Y92-T126 HydrophobicContact CD2-CG2 4.06Å; Y92-T126 HydrophobicContact CE2-CG2 3.89Å; S124-T126 PolarHBondContact O-N 2.95Å; T126-K130 VanDerWaalsContact O-CB 3.3Å; T126-K130 WeakPolarHBondContact O-CB 3.46Å; T126-K130 VanDerWaalsContact O-CG 3.28Å; T126-K130 WeakPolarHBondContact O-CG 3.48Å; T126-K130 PolarHBondContact O-N 3.1Å
127G78.9Confident82.6Confident44 Ų4459.1 Ų59.145%0.45432%0.321SS..Hα-helixtrans-62.2-44.4175.200000112E125 T131E125-G127 PolarHBondContact O-N 2.96Å; E125-G127 VanDerWaalsContact O-N 3.16Å; G127-T131 WeakPolarHBondContact O-CG2 3.48Å
128A80.2Confident80.3Confident5 Ų561.4 Ų61.44%0.04133%0.331CS..Hα-helixtrans-71.2-51.1175.700000110.8E125 K130 T131 F132E125-A128 HydrophobicContact CB-CB 4.44Å; E125-A128 PolarHBondContact O-N 3.22Å; E125-A128 VanDerWaalsContact O-N 3.07Å; A128-K130 VanDerWaalsContact C-N 3.28Å; A128-K130 PolarHBondContact O-N 2.97Å; A128-T131 WeakPolarHBondContact O-CB 3.46Å; A128-T131 PolarHBondContact O-N 3.04Å; A128-T131 PolarHBondContact O-OG1 3.07Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.47Å; A128-F132 VanDerWaalsContact O-CE1 3.26Å; A128-F132 WeakPolarHBondContact O-CE1 3.45Å
129L86.1Confident78Confident3 Ų363 Ų632%0.01634%0.338CS..Hα-helixtrans-54.2-42.7-178.1-65.7171.9000112.3V88 Y92 L111 E114 I115 E125 T131 F132 I133V88-L129 HydrophobicContact CG1-CD1 4.01Å; V88-L129 HydrophobicContact CG2-CD1 4.27Å; Y92-L129 HydrophobicContact CE2-CB 4.34Å; Y92-L129 WeakPolarHBondContact OH-CB 3.22Å; Y92-L129 PolarHBondContact OH-O 3.5Å; Y92-L129 VanDerWaalsContact OH-O 3.11Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; E114-L129 HydrophobicContact CB-CD2 4.35Å; E114-L129 HydrophobicContact CG-CD2 3.62Å; I115-L129 HydrophobicContact CG2-CD1 3.76Å; I115-L129 HydrophobicContact CG2-CD2 4.08Å; E125-L129 WeakPolarHBondContact O-CG 3.09Å; E125-L129 PolarHBondContact O-N 2.63Å; L129-T131 PolarHBondContact O-N 3.17Å; L129-T131 VanDerWaalsContact O-N 3.1Å; L129-F132 HydrophobicContact CD2-CE2 4.34Å; L129-F132 HydrophobicContact CD2-CZ 3.86Å; L129-F132 PolarHBondContact O-N 3.16Å; L129-I133 HydrophobicContact CD2-CD1 4.15Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 PolarHBondContact O-N 3.44Å
130K85Confident75.9Confident98 Ų9865.8 Ų65.843%0.42637%0.367SS..Hα-helixtrans-66.4-11.7-179-78.5-176.6175.1-169.80114.6A91 Y92 T126 A128A91-K130 WeakPolarHBondContact O-CE 3.23Å; A91-K130 PolarHBondContact O-NZ 3.19Å; Y92-K130 HydrophobicContact CD2-CG 4.49Å; Y92-K130 HydrophobicContact CE1-CG 3.84Å; Y92-K130 HydrophobicContact CE2-CG 3.79Å; Y92-K130 VanDerWaalsContact CZ-CG 3.44Å; Y92-K130 VanDerWaalsContact OH-CA 3.24Å; Y92-K130 WeakPolarHBondContact OH-CA 3.32Å; Y92-K130 WeakPolarHBondContact OH-CG 3.39Å; Y92-K130 PolarHBondContact OH-N 2.97Å; Y92-K130 VanDerWaalsContact OH-N 3.07Å; T126-K130 VanDerWaalsContact O-CB 3.3Å; T126-K130 WeakPolarHBondContact O-CB 3.46Å; T126-K130 VanDerWaalsContact O-CG 3.28Å; T126-K130 WeakPolarHBondContact O-CG 3.48Å; T126-K130 PolarHBondContact O-N 3.1Å; A128-K130 VanDerWaalsContact C-N 3.28Å; A128-K130 PolarHBondContact O-N 2.97Å
131T79.2Confident73.6Confident27 Ų2768.5 Ų68.517%0.16638%0.384CS..Hα-helixtrans-78.5-31.2176.764.90000112.5G127 A128 L129G127-T131 WeakPolarHBondContact O-CG2 3.48Å; A128-T131 WeakPolarHBondContact O-CB 3.46Å; A128-T131 PolarHBondContact O-N 3.04Å; A128-T131 PolarHBondContact O-OG1 3.07Å; L129-T131 PolarHBondContact O-N 3.17Å; L129-T131 VanDerWaalsContact O-N 3.1Å
132F80.9Confident71.5Confident61 Ų6174.3 Ų74.327%0.26841%0.407SS..Hα-helixtrans-121.8-20.8-175.958.6-93000114.2E114 A128 L129 I151 V155E114-F132 HydrophobicContact CG-CE2 3.73Å; E114-F132 HydrophobicContact CG-CZ 3.99Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.47Å; A128-F132 VanDerWaalsContact O-CE1 3.26Å; A128-F132 WeakPolarHBondContact O-CE1 3.45Å; L129-F132 HydrophobicContact CD2-CE2 4.34Å; L129-F132 HydrophobicContact CD2-CZ 3.86Å; L129-F132 PolarHBondContact O-N 3.16Å; F132-I151 HydrophobicContact CB-CG2 4.3Å; F132-I151 HydrophobicContact CD1-CG2 3.82Å; F132-I151 HydrophobicContact CG-CG2 4.4Å; F132-V155 HydrophobicContact CE1-CG2 3.88Å
133I85.2Confident70Confident10 Ų1073 Ų735%0.05140%0.401CS..SBendtrans-103.1105.3170.3-59.1175.8000108.3Y92 L107 E110 L111 E114 L129Y92-I133 HydrophobicContact CE1-CG2 4.36Å; Y92-I133 VanDerWaalsContact CE1-O 3.3Å; Y92-I133 WeakPolarHBondContact CE1-O 3.41Å; Y92-I133 PolarHBondContact OH-O 2.97Å; L107-I133 HydrophobicContact CD1-CG2 3.41Å; L107-I133 VanDerWaalsContact CD1-CG2 3.41Å; E110-I133 HydrophobicContact CB-CG2 4.43Å; L111-I133 HydrophobicContact CD2-CB 4.5Å; L111-I133 HydrophobicContact CD2-CD1 3.87Å; L111-I133 HydrophobicContact CD2-CG2 3.99Å; L111-I133 HydrophobicContact CG-CG2 4.23Å; E114-I133 HydrophobicContact CB-CD1 3.79Å; E114-I133 HydrophobicContact CG-CD1 4.03Å; L129-I133 HydrophobicContact CD2-CD1 4.15Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 PolarHBondContact O-N 3.44Å
134T78.6Confident69.3Low55 Ų5573.1 Ų73.134%0.33740%0.404SS..  trans-120.2136.3-175.361.10000112.3Q136T134-Q136 PolarHBondContact O-N 3.13Å; T134-Q136 PolarHBondContact OG1-O 2.86Å
135Q67.9Low68.6Low103 Ų10380.6 Ų80.648%0.48143%0.433SS..SBendtrans-65.8-23.5172.2-81.4170.9-2.800113.7Y92 L107 G137Y92-Q135 VanDerWaalsContact C-NE2 3.33Å; Y92-Q135 PolarHBondContact O-NE2 2.69Å; L107-Q135 HydrophobicContact CD1-CG 4.43Å; L107-Q135 HydrophobicContact CD2-CG 3.63Å; Q135-G137 PolarHBondContact O-N 2.92Å
136Q59.8Low68Low145 Ų14586.1 Ų86.168%0.67846%0.459SS*.SBendtrans-80.5114.9173.8-65.5-177.1-5.900107.4T134T134-Q136 PolarHBondContact O-N 3.13Å; T134-Q136 PolarHBondContact OG1-O 2.86Å
137G44.3Very low67.4Low68 Ų6888.5 Ų88.570%0.70147%0.467SS*.SBendtrans-51138.7-175.200000113.2Q135 K139Q135-G137 PolarHBondContact O-N 2.92Å; G137-K139 PolarHBondContact O-N 2.83Å
138I45.5Very low67Low149 Ų14991 Ų9176%0.76447%0.467SS*.  trans37.873.6164.9-42.9177000114
139K46.6Very low66.7Low134 Ų13494 Ų9458%0.58349%0.488SS*.  trans-79.98.4149.2-76.4-167.5177.2-173.20112.7G137 Q141 H142G137-K139 PolarHBondContact O-N 2.83Å; K139-Q141 PolarHBondContact O-N 2.94Å; K139-H142 PolarHBondContact O-N 2.99Å
140G47.5Very low66Low59 Ų5999.2 Ų99.261%0.60851%0.512SS*.THydrogen-bonded Turntrans-64-20.6-176.300000114.9
141Q45.7Very low65.4Low174 Ų17495.9 Ų95.981%0.81350%0.499SS*.THydrogen-bonded Turntrans-90.5-5.2178.8-86179.9-17.400114.8K139K139-Q141 PolarHBondContact O-N 2.94Å
142H51.7Low65.2Low166 Ų16698.5 Ų98.577%0.76952%0.515SS*.  trans-132.425-177-76.7-57.8000114.1K139 T144K139-H142 PolarHBondContact O-N 2.99Å; H142-T144 PolarHBondContact O-N 2.85Å
143Q62.1Low64.9Low62 Ų6298.5 Ų98.529%0.2952%0.522SS..  trans-76.1118.5166.4-73.6-177.7-10.300109.1Q148Q143-Q148 HydrophobicContact CB-CG 4.04Å
144T71.5Confident64.4Low73 Ų7399.3 Ų99.345%0.44853%0.526SS..  trans-68.4156.2174.265.50000109.7H142 E146 E147 Q148H142-T144 PolarHBondContact O-N 2.85Å; T144-E146 PolarHBondContact O-N 3.2Å; T144-E146 VanDerWaalsContact O-N 3.1Å; T144-E147 PolarHBondContact O-N 3.21Å; T144-E147 WeakPolarHBondContact OG1-CG 3.48Å; T144-E147 PolarHBondContact OG1-N 2.82Å; T144-E147 VanDerWaalsContact OG1-N 3.17Å; T144-Q148 PolarHBondContact O-N 3.48Å
145K73.3Confident64.1Low184 Ų18499.3 Ų99.380%0.853%0.526SS*.Hα-helixtrans-55.2-29.1173.9-72.4-176.6176.3-179.90112.4S149K145-S149 PolarHBondContact O-N 2.98Å; K145-S149 VanDerWaalsContact O-N 3.12Å; K145-S149 PolarHBondContact O-OG 3.29Å
146E72.9Confident64.5Low145 Ų14599.6 Ų99.668%0.67854%0.535SS*.Hα-helixtrans-72.1-41.7176.2-65.6174.9179.600112.2T144 S149 Q150T144-E146 PolarHBondContact O-N 3.2Å; T144-E146 VanDerWaalsContact O-N 3.1Å; E146-S149 PolarHBondContact O-N 2.78Å; E146-S149 PolarHBondContact O-OG 2.86Å; E146-Q150 WeakPolarHBondContact O-CG 3.3Å; E146-Q150 PolarHBondContact O-N 2.86Å
147E71.6Confident65.2Low93 Ų9394.4 Ų94.444%0.43552%0.52SS..Hα-helixtrans-65.3-40.6174.1-75.8-179.2161.900111.5T144 S149 Q150 I151T144-E147 PolarHBondContact O-N 3.21Å; T144-E147 WeakPolarHBondContact OG1-CG 3.48Å; T144-E147 PolarHBondContact OG1-N 2.82Å; T144-E147 VanDerWaalsContact OG1-N 3.17Å; E147-S149 PolarHBondContact O-N 2.88Å; E147-Q150 PolarHBondContact O-N 2.82Å; E147-I151 VanDerWaalsContact O-CG1 3.26Å; E147-I151 WeakPolarHBondContact O-CG1 3.28Å; E147-I151 PolarHBondContact O-N 3.2Å
148Q72Confident66.7Low97 Ų97100.2 Ų100.245%0.45353%0.529SS..Hα-helixtrans-62.8-41.4176.7-70.6-176.8-13.800112.4Q143 T144 I151 T152Q143-Q148 HydrophobicContact CB-CG 4.04Å; T144-Q148 PolarHBondContact O-N 3.48Å; Q148-I151 PolarHBondContact O-N 3.32Å; Q148-T152 WeakPolarHBondContact O-CB 3.36Å; Q148-T152 PolarHBondContact O-N 3.2Å; Q148-T152 PolarHBondContact O-OG1 3.42Å
149S72.6Confident68.5Low69 Ų6995.5 Ų95.548%0.48350%0.504SS..Hα-helixtrans-69.3-35.3177.769.50000112.2K145 E146 E147 T152 S153K145-S149 PolarHBondContact O-N 2.98Å; K145-S149 VanDerWaalsContact O-N 3.12Å; K145-S149 PolarHBondContact O-OG 3.29Å; E146-S149 PolarHBondContact O-N 2.78Å; E146-S149 PolarHBondContact O-OG 2.86Å; E147-S149 PolarHBondContact O-N 2.88Å; S149-T152 PolarHBondContact O-N 3.47Å; S149-S153 WeakPolarHBondContact O-CB 3.06Å; S149-S153 PolarHBondContact O-N 3.5Å; S149-S153 PolarHBondContact O-OG 3.49Å
150Q72.7Confident70.2Confident112 Ų11289.7 Ų89.752%0.52348%0.482SS..Hα-helixtrans-67.2-40.2173.2-75.3-178.914.100113.1E146 E147 S153 Q154E146-Q150 WeakPolarHBondContact O-CG 3.3Å; E146-Q150 PolarHBondContact O-N 2.86Å; E147-Q150 PolarHBondContact O-N 2.82Å; Q150-S153 PolarHBondContact O-OG 3.11Å; Q150-Q154 WeakPolarHBondContact O-CB 3.38Å; Q150-Q154 VanDerWaalsContact O-CG 3.27Å; Q150-Q154 WeakPolarHBondContact O-CG 3.21Å; Q150-Q154 PolarHBondContact O-N 3.38Å
151I72.3Confident72.1Confident28 Ų2889.5 Ų89.514%0.14446%0.463CS..Hα-helixtrans-64.8-46.9175.2-67.6164.6000109.4F132 E147 Q148 S153 Q154 V155F132-I151 HydrophobicContact CB-CG2 4.3Å; F132-I151 HydrophobicContact CD1-CG2 3.82Å; F132-I151 HydrophobicContact CG-CG2 4.4Å; E147-I151 VanDerWaalsContact O-CG1 3.26Å; E147-I151 WeakPolarHBondContact O-CG1 3.28Å; E147-I151 PolarHBondContact O-N 3.2Å; Q148-I151 PolarHBondContact O-N 3.32Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-S153 PolarHBondContact O-N 2.78Å; I151-Q154 PolarHBondContact O-N 3.23Å; I151-Q154 VanDerWaalsContact O-N 3.17Å; I151-V155 HydrophobicContact CG2-CG2 4.39Å; I151-V155 WeakPolarHBondContact O-CG2 3.31Å; I151-V155 PolarHBondContact O-N 2.82Å
152T74.2Confident74.2Confident82 Ų8281.5 Ų81.550%0.50343%0.425SS..Hα-helixtrans-58.9-44.6178.7-54.30000111Q148 S149 Q154 V155 T156Q148-T152 WeakPolarHBondContact O-CB 3.36Å; Q148-T152 PolarHBondContact O-N 3.2Å; Q148-T152 PolarHBondContact O-OG1 3.42Å; S149-T152 PolarHBondContact O-N 3.47Å; T152-Q154 VanDerWaalsContact C-N 3.34Å; T152-Q154 PolarHBondContact O-N 3.15Å; T152-V155 PolarHBondContact O-N 3.41Å; T152-T156 HydrophobicContact CG2-CG2 4.22Å; T152-T156 WeakPolarHBondContact O-CB 3.41Å; T152-T156 WeakPolarHBondContact O-CG2 3.37Å; T152-T156 PolarHBondContact O-N 2.93Å; T152-T156 PolarHBondContact O-OG1 3.02Å
153S75.2Confident75.7Confident61 Ų6179.3 Ų79.343%0.42741%0.41SS..Hα-helixtrans-69.1-29.7179.368.60000113.3S149 Q150 I151 G157S149-S153 WeakPolarHBondContact O-CB 3.06Å; S149-S153 PolarHBondContact O-N 3.5Å; S149-S153 PolarHBondContact O-OG 3.49Å; Q150-S153 PolarHBondContact O-OG 3.11Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-S153 PolarHBondContact O-N 2.78Å; S153-G157 WeakPolarHBondContact O-CA 3.49Å; S153-G157 PolarHBondContact O-N 3.07Å
154Q73.4Confident76.9Confident26 Ų2682.2 Ų82.212%0.12142%0.424CS..Hα-helixtrans-71.1-39.8173-75172.72200112.4Q150 I151 T152 R163Q150-Q154 WeakPolarHBondContact O-CB 3.38Å; Q150-Q154 VanDerWaalsContact O-CG 3.27Å; Q150-Q154 WeakPolarHBondContact O-CG 3.21Å; Q150-Q154 PolarHBondContact O-N 3.38Å; I151-Q154 PolarHBondContact O-N 3.23Å; I151-Q154 VanDerWaalsContact O-N 3.17Å; T152-Q154 VanDerWaalsContact C-N 3.34Å; T152-Q154 PolarHBondContact O-N 3.15Å; Q154-R163 HydrophobicContact CG-CG 4.45Å; Q154-R163 VanDerWaalsContact OE1-CD 3.24Å
155V73.1Confident77.6Confident56 Ų5681.7 Ų81.734%0.33943%0.434SS..Hα-helixtrans-76-40.1-179.1175.50000111.6F132 I151 T152F132-V155 HydrophobicContact CE1-CG2 3.88Å; I151-V155 HydrophobicContact CG2-CG2 4.39Å; I151-V155 WeakPolarHBondContact O-CG2 3.31Å; I151-V155 PolarHBondContact O-N 2.82Å; T152-V155 PolarHBondContact O-N 3.41Å
156T76.5Confident78.5Confident109 Ų10974 Ų7467%0.66940%0.401SS*.Hα-helixtrans-92.1-13.1-178.262.10000113.7T152T152-T156 HydrophobicContact CG2-CG2 4.22Å; T152-T156 WeakPolarHBondContact O-CB 3.41Å; T152-T156 WeakPolarHBondContact O-CG2 3.37Å; T152-T156 PolarHBondContact O-N 2.93Å; T152-T156 PolarHBondContact O-OG1 3.02Å
157G74.5Confident79.5Confident35 Ų3575.3 Ų75.336%0.36140%0.404SS..SBendtrans-71.4158.9-178.600000113.1S153 I159S153-G157 WeakPolarHBondContact O-CA 3.49Å; S153-G157 PolarHBondContact O-N 3.07Å; G157-I159 PolarHBondContact O-N 3.25Å; G157-I159 VanDerWaalsContact O-N 3.17Å
158Q75.9Confident80.6Confident191 Ų19174.5 Ų74.589%0.89340%0.398SS*.SBendtrans-65.7-17.5179.1-163.9-178.85.200113.3
159I84Confident81.7Confident50 Ų5081.6 Ų81.626%0.25642%0.42SS..  trans-12296.6-178.5-58.2166.1000108.5G157 W161 R162 M209 I267G157-I159 PolarHBondContact O-N 3.25Å; G157-I159 VanDerWaalsContact O-N 3.17Å; I159-W161 HydrophobicContact CG1-CZ2 4.44Å; I159-W161 HydrophobicContact CG2-CD2 4.17Å; I159-W161 HydrophobicContact CG2-CG 4.45Å; I159-W161 HydrophobicContact CG2-CZ2 4.02Å; I159-R162 HydrophobicContact CG2-CB 4.24Å; I159-M209 HydrophobicContact CB-CE 4.3Å; I159-M209 HydrophobicContact CD1-CE 3.95Å; I159-M209 HydrophobicContact CG2-CE 3.82Å; I159-I267 HydrophobicContact CD1-CD1 3.43Å; I159-I267 VanDerWaalsContact CD1-CD1 3.43Å
160G82Confident82.8Confident11 Ų1186.3 Ų86.311%0.11343%0.428CS..  trans-80.9-26.6177.900000114.1E125 R162E125-G160 WeakPolarHBondContact OE2-CA 3.43Å; E125-G160 VanDerWaalsContact OE2-O 3.08Å; G160-R162 PolarHBondContact O-N 2.99Å
161W86.4Confident83.9Confident55 Ų5582.1 Ų82.121%0.20841%0.409CS..SBendtrans-89.5-2.8-164.756.578.5000114.5E125 I159 Q251 C252 I267 P269E125-W161 WeakPolarHBondContact OE2-CA 3.46Å; E125-W161 WeakPolarHBondContact OE2-CB 3.2Å; E125-W161 PolarHBondContact OE2-N 3Å; I159-W161 HydrophobicContact CG1-CZ2 4.44Å; I159-W161 HydrophobicContact CG2-CD2 4.17Å; I159-W161 HydrophobicContact CG2-CG 4.45Å; I159-W161 HydrophobicContact CG2-CZ2 4.02Å; W161-Q251 HydrophobicContact CD2-CG 4.35Å; W161-Q251 HydrophobicContact CE3-CG 3.77Å; W161-Q251 HydrophobicContact CZ3-CG 4.11Å; W161-C252 HydrophobicContact CD2-CB 4.09Å; W161-C252 VanDerWaalsContact CE2-CB 3.47Å; W161-C252 HydrophobicContact CG-CB 4.31Å; W161-C252 VanDerWaalsContact CZ2-CA 3.45Å; W161-C252 HydrophobicContact CZ2-CB 3.86Å; W161-C252 VanDerWaalsContact NE1-CB 3.27Å; W161-I267 PolarHBondContact NE1-O 2.81Å; W161-P269 HydrophobicContact CB-CG 4.19Å; W161-P269 HydrophobicContact CG-CG 4.2Å; W161-P269 WeakPolarHBondContact O-CA 3.43Å
162R89.4Confident85.1Confident6 Ų683.2 Ų83.22%0.02341%0.413CS..SBendtrans-143.5129.8179.9-168.6-173.3-179.268.69.7110.6I159 G160 I166 L206 G208 M209 I267 P268 D270I159-R162 HydrophobicContact CG2-CB 4.24Å; G160-R162 PolarHBondContact O-N 2.99Å; R162-I166 HydrophobicContact CG-CD1 4.22Å; R162-L206 PolarHBondContact NH2-O 3.5Å; R162-G208 VanDerWaalsContact CZ-O 3.25Å; R162-G208 PolarHBondContact NE-O 2.91Å; R162-G208 PolarHBondContact NH2-O 2.81Å; R162-M209 HydrophobicContact CB-CE 4.08Å; R162-M209 HydrophobicContact CB-SD 4.08Å; R162-M209 VanDerWaalsContact CD-SD 3.53Å; R162-M209 HydrophobicContact CG-CE 4.29Å; R162-M209 HydrophobicContact CG-SD 3.64Å; R162-I267 HydrophobicContact CB-CG2 4.34Å; R162-P268 WeakPolarHBondContact CD-O 3.42Å; R162-P268 PolarHBondContact NH1-O 3.05Å; R162-D270 IonicContact NH1-OD1 3.33Å
163R84.6Confident86.2Confident120 Ų12079.3 Ų79.345%0.45339%0.389SS..  trans-87.7144.4-179.6-58.8-173.2-72.1175-2111.3Q154 I166Q154-R163 HydrophobicContact CG-CG 4.45Å; Q154-R163 VanDerWaalsContact OE1-CD 3.24Å; R163-I166 HydrophobicContact CB-CD1 4.31Å; R163-I166 HydrophobicContact CB-CG1 4.44Å; R163-I166 VanDerWaalsContact O-CD1 3.27Å; R163-I166 WeakPolarHBondContact O-CD1 3.49Å; R163-I166 WeakPolarHBondContact O-CG1 3.44Å
164E85.9Confident87.2Confident123 Ų12379.1 Ų79.158%0.57538%0.381SS*.THydrogen-bonded Turntrans-69.5158.6169.6-61.6-155.3133.600111.3I166 M209 K411E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 3.39Å; E164-M209 HydrophobicContact CG-CG 3.99Å; E164-M209 HydrophobicContact CG-SD 4.25Å; E164-K411 IonicContact OE1-NZ 2.64Å; E164-K411 PolarHBondContact OE1-NZ 3.3Å
165G87.2Confident88.4Confident63 Ų6378 Ų7865%0.64938%0.376SS*.THydrogen-bonded Turntrans79.31.6173.800000116.3K167G165-K167 PolarHBondContact O-N 3.38Å
166I91.6Very high89.6Confident21 Ų2175.9 Ų75.911%0.10836%0.362CS..  trans-57.8132.5174.1-62.3172.4000109.7R162 R163 E164 Y168 L206 S207 G208 D270R162-I166 HydrophobicContact CG-CD1 4.22Å; R163-I166 HydrophobicContact CB-CD1 4.31Å; R163-I166 HydrophobicContact CB-CG1 4.44Å; R163-I166 VanDerWaalsContact O-CD1 3.27Å; R163-I166 WeakPolarHBondContact O-CD1 3.49Å; R163-I166 WeakPolarHBondContact O-CG1 3.44Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 3.39Å; I166-Y168 HydrophobicContact CG2-CD2 3.84Å; I166-Y168 HydrophobicContact CG2-CE2 3.36Å; I166-L206 WeakPolarHBondContact CG2-O 3.26Å; I166-S207 CarbonylContact O-C 3.56Å; I166-S207 VanDerWaalsContact O-CA 3.23Å; I166-S207 WeakPolarHBondContact O-CA 3.4Å; I166-G208 PolarHBondContact O-N 2.6Å; I166-D270 HydrophobicContact CD1-CB 3.82Å
167K94.3Very high90.6Very high173 Ų17370.7 Ų70.775%0.75233%0.331SS*.  trans-133.7132.2178.1-71.6-176.3-178.9179.90110.6G165G165-K167 PolarHBondContact O-N 3.38Å
168Y95.6Very high91.7Very high76 Ų7670.3 Ų70.330%0.29832%0.32SS..  trans-119.7147.3171.7-72.8-84.1000110.1I166 R170 Y205 L206 S207 D270I166-Y168 HydrophobicContact CG2-CD2 3.84Å; I166-Y168 HydrophobicContact CG2-CE2 3.36Å; Y168-R170 WeakPolarHBondContact CB-O 3.33Å; Y168-R170 PolarHBondContact O-N 2.86Å; Y168-Y205 HydrophobicContact CD1-CD1 4.49Å; Y168-Y205 AromaticContact CE1-CD1 3.63Å; Y168-Y205 HydrophobicContact CE1-CD1 3.63Å; Y168-Y205 HydrophobicContact CE1-CG 4.1Å; Y168-Y205 AromaticContact CZ-CD1 3.76Å; Y168-L206 VanDerWaalsContact CD2-C 3.44Å; Y168-L206 VanDerWaalsContact CD2-O 3.29Å; Y168-L206 WeakPolarHBondContact CD2-O 3.33Å; Y168-L206 WeakPolarHBondContact CE2-O 3.24Å; Y168-S207 PolarHBondContact N-OG 3.05Å; Y168-S207 PolarHBondContact O-OG 3.14Å; Y168-D270 VanDerWaalsContact CE2-OD1 3.29Å; Y168-D270 WeakPolarHBondContact CE2-OD1 3.49Å; Y168-D270 PolarHBondContact OH-OD1 3.37Å; Y168-D270 VanDerWaalsContact OH-OD1 3.09Å; Y168-D270 PolarHBondContact OH-OD2 2.88Å
169R94.4Very high92.7Very high247 Ų24761.2 Ų61.293%0.93228%0.278SS*.SBendtrans-63.9-31.8172.9-176.4178.1175.2178.5-0.1111.8
170R95.1Very high93.4Very high167 Ų16759.9 Ų59.963%0.6327%0.273SS*.SBendtrans-139.3135.9175.9-70.1-175.1176.4172.6-1.5108.8Y168 E172Y168-R170 WeakPolarHBondContact CB-O 3.33Å; Y168-R170 PolarHBondContact O-N 2.86Å; R170-E172 HydrophobicContact CB-CG 4.3Å
171N97.3Very high94.1Very high24 Ų2459.3 Ų59.313%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-86.9118.2176.7-62.3-53.3000109.2Y205 L206 S207 V419 I420N171-Y205 CarbonylContact C-O 3.58Å; N171-Y205 VanDerWaalsContact CA-O 3.29Å; N171-Y205 WeakPolarHBondContact CA-O 3.41Å; N171-L206 HydrophobicContact CB-CD2 3.83Å; N171-S207 WeakPolarHBondContact OD1-CB 3.36Å; N171-S207 PolarHBondContact OD1-N 2.86Å; N171-S207 PolarHBondContact OD1-OG 2.64Å; N171-V419 HydrophobicContact CB-CB 4.49Å; N171-V419 HydrophobicContact CB-CG1 4.48Å; N171-V419 HydrophobicContact CB-CG2 3.93Å; N171-V419 WeakPolarHBondContact O-CA 3.47Å; N171-I420 PolarHBondContact O-N 3.07Å
172E97.1Very high94.6Very high52 Ų5257.7 Ų57.724%0.24326%0.263CS..EExtended strand (participates in β ladder)trans-135.2141.2-175.2-57-172.5138.900111.7R170 F174 Y205 I420R170-E172 HydrophobicContact CB-CG 4.3Å; E172-F174 HydrophobicContact CB-CE2 3.74Å; E172-F174 HydrophobicContact CB-CZ 4.19Å; E172-Y205 PolarHBondContact N-O 2.85Å; E172-Y205 PolarHBondContact O-N 2.7Å; E172-I420 CarbonylContact C-O 3.47Å; E172-I420 WeakPolarHBondContact CA-O 3.06Å; E172-I420 HydrophobicContact CG-CB 4.28Å
173L96.4Very high95Very high0 Ų057.6 Ų57.60%026%0.263CS..EExtended strand (participates in β ladder)trans-129128.7175.6-69.6178.5000110.7L175 M202 K203 S204 L206 L405 V407 V419 I420 K421 W422L173-L175 HydrophobicContact CB-CD1 4.23Å; L173-M202 HydrophobicContact CB-CE 4.29Å; L173-M202 HydrophobicContact CD1-CE 3.64Å; L173-M202 HydrophobicContact CD2-CE 3.25Å; L173-M202 HydrophobicContact CG-CE 3.9Å; L173-K203 WeakPolarHBondContact CA-O 3.21Å; L173-S204 VanDerWaalsContact CD2-CA 3.48Å; L173-L206 HydrophobicContact CD1-CD1 4.1Å; L173-L206 HydrophobicContact CD1-CD2 4.37Å; L173-L206 HydrophobicContact CD2-CD1 3.66Å; L173-L206 HydrophobicContact CD2-CD2 3.99Å; L173-L206 HydrophobicContact CD2-CG 3.69Å; L173-L206 HydrophobicContact CG-CD1 4.14Å; L173-L206 HydrophobicContact CG-CD2 3.92Å; L173-L206 HydrophobicContact CG-CG 4.18Å; L173-L405 HydrophobicContact CB-CD2 4.32Å; L173-L405 HydrophobicContact CD1-CD2 3.77Å; L173-L405 HydrophobicContact CD1-CG 4.39Å; L173-V407 HydrophobicContact CD1-CG2 3.39Å; L173-V419 HydrophobicContact CB-CG1 4.49Å; L173-V419 HydrophobicContact CD1-CG1 4.01Å; L173-V419 HydrophobicContact CG-CG1 3.95Å; L173-I420 PolarHBondContact N-O 3.3Å; L173-K421 HydrophobicContact CB-CG 4.43Å; L173-K421 CarbonylContact O-C 3.59Å; L173-K421 WeakPolarHBondContact O-CA 3.31Å; L173-W422 PolarHBondContact O-N 3.44Å
174F97.6Very high95.5Very high56 Ų5654 Ų5425%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-118.9129175.4-54.7-95.7000109.6E172 M202 K203 Y205 W422E172-F174 HydrophobicContact CB-CE2 3.74Å; E172-F174 HydrophobicContact CB-CZ 4.19Å; F174-M202 CarbonylContact O-C 3.58Å; F174-M202 WeakPolarHBondContact O-CA 3.16Å; F174-K203 HydrophobicContact CB-CB 4.13Å; F174-K203 HydrophobicContact CB-CG 4.48Å; F174-K203 HydrophobicContact CD2-CB 4.3Å; F174-K203 PolarHBondContact N-O 3.42Å; F174-K203 PolarHBondContact O-N 2.63Å; F174-Y205 HydrophobicContact CD2-CD2 4.21Å; F174-Y205 HydrophobicContact CD2-CE2 4.12Å; F174-Y205 AromaticContact CE2-CD2 3.89Å; F174-Y205 HydrophobicContact CE2-CD2 3.89Å; F174-Y205 AromaticContact CE2-CE2 3.96Å; F174-Y205 HydrophobicContact CE2-CE2 3.96Å; F174-W422 HydrophobicContact CD1-CB 3.66Å; F174-W422 AromaticContact CD1-CD1 3.52Å; F174-W422 AromaticContact CD1-CG 3.71Å; F174-W422 HydrophobicContact CD1-CG 3.71Å; F174-W422 HydrophobicContact CE1-CB 4.21Å; F174-W422 AromaticContact CE1-CD1 3.2Å; F174-W422 HydrophobicContact CE1-CD2 4.48Å; F174-W422 AromaticContact CE1-CG 3.73Å; F174-W422 HydrophobicContact CE1-CG 3.73Å; F174-W422 AromaticContact CE1-NE1 3.68Å; F174-W422 HydrophobicContact CG-CB 4.41Å; F174-W422 AromaticContact CZ-CD1 3.87Å
175L97.2Very high96Very high4 Ų448.4 Ų48.42%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-120.9125.1-178.3-75.581.6000110.1L173 M202 F214 L405 W422 V423 R424L173-L175 HydrophobicContact CB-CD1 4.23Å; L175-M202 HydrophobicContact CD1-CG 4.49Å; L175-M202 HydrophobicContact CG-CG 4.38Å; L175-M202 HydrophobicContact CG-SD 4.47Å; L175-F214 HydrophobicContact CD2-CD2 3.98Å; L175-F214 HydrophobicContact CD2-CE2 3.87Å; L175-L405 HydrophobicContact CD1-CD2 3.29Å; L175-L405 HydrophobicContact CD2-CD2 3.91Å; L175-L405 HydrophobicContact CG-CD2 4.24Å; L175-W422 PolarHBondContact N-O 3.02Å; L175-V423 HydrophobicContact CB-CB 4.44Å; L175-V423 HydrophobicContact CB-CG2 4.28Å; L175-V423 CarbonylContact O-C 3.48Å; L175-V423 VanDerWaalsContact O-CA 3.29Å; L175-V423 WeakPolarHBondContact O-CA 3.18Å; L175-R424 PolarHBondContact O-N 3.2Å
176D97.8Very high96.2Very high10 Ų1045.8 Ų45.85%0.05320%0.198CC..EExtended strand (participates in β ladder)trans-114.4109.2177.9-61.2-14.7000109L178 V200 V201 R424D176-L178 HydrophobicContact CB-CD2 4.11Å; D176-L178 HydrophobicContact CB-CG 4.06Å; D176-L178 PolarHBondContact O-N 3.44Å; D176-V200 WeakPolarHBondContact O-CA 3.23Å; D176-V201 HydrophobicContact CB-CB 4.23Å; D176-V201 PolarHBondContact N-O 3.39Å; D176-V201 PolarHBondContact O-N 2.78Å; D176-R424 HydrophobicContact CB-CG 4.32Å; D176-R424 WeakPolarHBondContact OD1-CD 3.48Å; D176-R424 WeakPolarHBondContact OD1-CG 3.42Å; D176-R424 IonicContact OD1-CZ 2.65Å; D176-R424 IonicContact OD1-NE 3.69Å; D176-R424 PolarHBondContact OD1-NE 3.05Å; D176-R424 IonicContact OD1-NH2 3.43Å; D176-R424 IonicContact OD2-CZ 2.75Å; D176-R424 VanDerWaalsContact OD2-CZ 3.29Å; D176-R424 IonicContact OD2-NE 3.92Å; D176-R424 PolarHBondContact OD2-NE 2.96Å; D176-R424 VanDerWaalsContact OD2-NE 3.14Å; D176-R424 IonicContact OD2-NH2 3.7Å; D176-R424 PolarHBondContact OD2-NH2 3.22Å
177V97.9Very high95.8Very high0 Ų047 Ų470%021%0.207CC..EExtended strand (participates in β ladder)trans-87.5101.7169.2-178.30000107.4E179 Y278 A396 L400 V402 R424 Y425 I426V177-E179 HydrophobicContact CG1-CG 4.31Å; V177-Y278 VanDerWaalsContact CG1-OH 3.27Å; V177-Y278 WeakPolarHBondContact CG1-OH 3.38Å; V177-A396 HydrophobicContact CG1-CB 4.29Å; V177-L400 HydrophobicContact CG1-CD2 3.89Å; V177-L400 HydrophobicContact CG2-CD2 3.99Å; V177-V402 HydrophobicContact CG2-CG2 4.23Å; V177-R424 PolarHBondContact N-O 2.85Å; V177-Y425 HydrophobicContact CB-CD1 3.58Å; V177-Y425 HydrophobicContact CB-CE1 4Å; V177-Y425 HydrophobicContact CB-CG 4.37Å; V177-Y425 HydrophobicContact CG1-CD1 3.88Å; V177-Y425 HydrophobicContact CG1-CE1 4.3Å; V177-Y425 HydrophobicContact CG2-CD1 3.85Å; V177-Y425 HydrophobicContact CG2-CE1 3.72Å; V177-I426 PolarHBondContact O-N 3.34Å
178L98.1Very high95.4Very high27 Ų2746 Ų4614%0.14121%0.205CC..EExtended strand (participates in β ladder)trans-106.2120.2-176.6-56.5179.6000109.6D176 G198 R199 V201 I426D176-L178 HydrophobicContact CB-CD2 4.11Å; D176-L178 HydrophobicContact CB-CG 4.06Å; D176-L178 PolarHBondContact O-N 3.44Å; L178-G198 CarbonylContact O-C 3.54Å; L178-G198 WeakPolarHBondContact O-CA 3.45Å; L178-R199 HydrophobicContact CB-CG 3.96Å; L178-R199 PolarHBondContact N-O 2.69Å; L178-R199 PolarHBondContact O-N 2.81Å; L178-V201 HydrophobicContact CD1-CG2 4.02Å; L178-I426 WeakPolarHBondContact CA-O 3.36Å; L178-I426 HydrophobicContact CD2-CB 3.8Å; L178-I426 HydrophobicContact CD2-CD1 3.89Å; L178-I426 HydrophobicContact CD2-CG1 4.14Å
179E97.9Very high94.8Very high1 Ų143 Ų431%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-124.1135.4-176.1-68.1-164.6160.700112V177 V196 Y278 A396 P397 S398 I426 G427 R428V177-E179 HydrophobicContact CG1-CG 4.31Å; E179-V196 HydrophobicContact CB-CG1 3.76Å; E179-V196 HydrophobicContact CG-CG1 3.95Å; E179-Y278 WeakPolarHBondContact CG-OH 3.25Å; E179-Y278 WeakPolarHBondContact OE1-CE2 3.34Å; E179-Y278 PolarHBondContact OE1-OH 3.28Å; E179-A396 HydrophobicContact CG-CB 4.42Å; E179-A396 VanDerWaalsContact OE2-CA 3.24Å; E179-A396 WeakPolarHBondContact OE2-CA 3.25Å; E179-A396 WeakPolarHBondContact OE2-CB 3.24Å; E179-P397 WeakPolarHBondContact OE2-CD 3.48Å; E179-S398 VanDerWaalsContact CD-OG 3.26Å; E179-S398 VanDerWaalsContact OE1-CB 3.27Å; E179-S398 WeakPolarHBondContact OE1-CB 3.34Å; E179-S398 PolarHBondContact OE1-OG 2.74Å; E179-S398 PolarHBondContact OE2-N 2.81Å; E179-S398 PolarHBondContact OE2-OG 2.9Å; E179-I426 PolarHBondContact N-O 3.41Å; E179-G427 CarbonylContact O-C 3.55Å; E179-G427 WeakPolarHBondContact O-CA 3.34Å; E179-R428 VanDerWaalsContact O-CG 3.28Å; E179-R428 WeakPolarHBondContact O-CG 3.41Å; E179-R428 PolarHBondContact O-N 3Å
180S97.9Very high94.7Very high21 Ų2137.7 Ų37.715%0.14718%0.182CC..EExtended strand (participates in β ladder)trans-111.8117.4175-1660000109.1V196 S197 R428 G430S180-V196 WeakPolarHBondContact O-CA 3.23Å; S180-S197 PolarHBondContact N-O 2.78Å; S180-S197 PolarHBondContact O-N 2.92Å; S180-R428 CarbonylContact C-O 3.5Å; S180-R428 WeakPolarHBondContact CA-O 3.37Å; S180-G430 WeakPolarHBondContact OG-CA 3.48Å; S180-G430 PolarHBondContact OG-N 2.88Å
181V97.3Very high94.6Very high0 Ų032.7 Ų32.70%017%0.17CC..EExtended strand (participates in β ladder)trans-87.8115.8178.2-168.30000109.2V196 L286 P397 R428 G430 Y432V181-V196 HydrophobicContact CG2-CG2 4.37Å; V181-L286 HydrophobicContact CG1-CD2 4.11Å; V181-P397 HydrophobicContact CG2-CB 3.44Å; V181-P397 VanDerWaalsContact CG2-CB 3.44Å; V181-P397 HydrophobicContact CG2-CG 3.3Å; V181-R428 PolarHBondContact N-O 3.17Å; V181-G430 PolarHBondContact O-N 2.85Å; V181-Y432 HydrophobicContact CB-CD2 4.24Å; V181-Y432 HydrophobicContact CB-CE2 4.28Å; V181-Y432 HydrophobicContact CG1-CD2 4.1Å; V181-Y432 HydrophobicContact CG1-CE2 3.81Å
182N97.1Very high94.4Very high21 Ų2135.4 Ų35.411%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-99.6122.3171.2-60.5-53.3000108.3A194 H195 G430 I431N182-A194 CarbonylContact O-C 3.44Å; N182-A194 VanDerWaalsContact O-CA 3.28Å; N182-A194 WeakPolarHBondContact O-CA 3.3Å; N182-H195 WeakPolarHBondContact CB-CE1 2.99Å; N182-H195 PolarHBondContact N-O 3.17Å; N182-H195 PolarHBondContact ND2-CD2 3.03Å; N182-H195 PolarHBondContact ND2-NE2 3.49Å; N182-H195 PolarHBondContact O-N 2.87Å; N182-G430 WeakPolarHBondContact OD1-CA 3.41Å; N182-I431 CarbonylContact C-O 3.54Å; N182-I431 VanDerWaalsContact CA-O 3.25Å; N182-I431 WeakPolarHBondContact CA-O 3.4Å; N182-I431 PolarHBondContact OD1-N 2.76Å
183L96.6Very high94.3Very high4 Ų435.7 Ų35.72%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-134.5132.4-179.5-179.671.8000109.6M185 V191 S193 A194 L286 I431 Y432 E433L183-M185 HydrophobicContact CD2-CB 4.34Å; L183-M185 HydrophobicContact CG-CB 4.42Å; L183-V191 HydrophobicContact CD1-CB 4.46Å; L183-V191 HydrophobicContact CD1-CG1 3.71Å; L183-V191 HydrophobicContact CD1-CG2 4.15Å; L183-S193 CarbonylContact C-O 3.55Å; L183-S193 WeakPolarHBondContact CA-O 3.29Å; L183-A194 HydrophobicContact CD1-CB 3.95Å; L183-L286 HydrophobicContact CD1-CD1 3.8Å; L183-L286 HydrophobicContact CD1-CD2 3.9Å; L183-L286 HydrophobicContact CD2-CD1 4.42Å; L183-I431 PolarHBondContact N-O 2.61Å; L183-I431 VanDerWaalsContact O-O 3.05Å; L183-Y432 HydrophobicContact CB-CD1 4.45Å; L183-Y432 HydrophobicContact CB-CD2 3.61Å; L183-Y432 HydrophobicContact CB-CE1 4.49Å; L183-Y432 HydrophobicContact CB-CE2 3.64Å; L183-Y432 HydrophobicContact CB-CG 4.05Å; L183-Y432 HydrophobicContact CD2-CD1 4.11Å; L183-Y432 HydrophobicContact CD2-CD2 4.33Å; L183-Y432 HydrophobicContact CD2-CE1 3.49Å; L183-Y432 VanDerWaalsContact CD2-CE1 3.49Å; L183-Y432 HydrophobicContact CD2-CE2 3.75Å; L183-Y432 WeakPolarHBondContact CD2-OH 3.39Å; L183-Y432 HydrophobicContact CG-CE2 4.31Å; L183-E433 PolarHBondContact O-N 3.3Å
184L96.1Very high94.3Very high44 Ų4436.9 Ų36.923%0.2320%0.202CC..EExtended strand (participates in β ladder)trans-119.5120.4160.2179.664.1000108.4L192 S193 E433 R435L184-L192 HydrophobicContact CD2-CB 4.38Å; L184-L192 HydrophobicContact CD2-CD1 4.33Å; L184-L192 HydrophobicContact CG-CB 4.27Å; L184-L192 HydrophobicContact CG-CD1 4.22Å; L184-L192 WeakPolarHBondContact O-CA 3.23Å; L184-L192 WeakPolarHBondContact O-CB 3.38Å; L184-L192 PolarHBondContact O-N 3.33Å; L184-S193 PolarHBondContact N-O 2.83Å; L184-S193 PolarHBondContact O-N 2.84Å; L184-S193 VanDerWaalsContact O-N 3.14Å; L184-E433 CarbonylContact C-O 3.58Å; L184-E433 WeakPolarHBondContact CA-O 3.17Å; L184-E433 HydrophobicContact CD1-CB 4.31Å; L184-R435 HydrophobicContact CD1-CG 4.17Å
185M94.5Very high94.2Very high5 Ų536.6 Ų36.63%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-117.8144-179.8-165.5167.162.500111.1L183 Q190 R289 V290 E433 T434 R435L183-M185 HydrophobicContact CD2-CB 4.34Å; L183-M185 HydrophobicContact CG-CB 4.42Å; M185-Q190 WeakPolarHBondContact CG-O 3.28Å; M185-R289 HydrophobicContact CE-CG 4.2Å; M185-R289 HydrophobicContact SD-CG 4.35Å; M185-V290 WeakPolarHBondContact CE-O 3.3Å; M185-E433 PolarHBondContact N-O 3.27Å; M185-T434 HydrophobicContact CB-CG2 4.09Å; M185-T434 HydrophobicContact CE-CG2 3.59Å; M185-T434 WeakPolarHBondContact CE-OG1 3.27Å; M185-T434 HydrophobicContact CG-CG2 4.43Å; M185-T434 WeakPolarHBondContact O-CA 3.4Å; M185-R435 PolarHBondContact O-N 2.96Å
186S91.9Very high94.2Very high8 Ų836.4 Ų36.46%0.05620%0.2CC..  trans-70.4163.4172.262.50000111.6Q188 G189 Q190S186-Q188 PolarHBondContact O-N 3.49Å; S186-G189 PolarHBondContact O-N 2.99Å; S186-G189 PolarHBondContact OG-N 3.43Å; S186-Q190 PolarHBondContact N-O 3.25Å; S186-Q190 WeakPolarHBondContact OG-CA 3.37Å; S186-Q190 VanDerWaalsContact OG-CB 3.32Å; S186-Q190 WeakPolarHBondContact OG-CB 3.32Å; S186-Q190 PolarHBondContact OG-N 3.13Å; S186-Q190 PolarHBondContact OG-O 2.88Å
187P84.1Confident94.2Very high46 Ų4638.1 Ų38.130%0.29921%0.213SC..THydrogen-bonded Turntrans-59.5-30.4174.7-20.932.4000113.4G189 R435P187-G189 PolarHBondContact O-N 3.1Å; P187-R435 VanDerWaalsContact CA-O 3.25Å; P187-R435 WeakPolarHBondContact CA-O 3.25Å; P187-R435 HydrophobicContact CG-CB 3.98Å; P187-R435 WeakPolarHBondContact CG-O 3.1Å
188Q84.8Confident94.2Very high154 Ų15438.2 Ų38.272%0.7221%0.214SC*.THydrogen-bonded Turntrans-77.9-3.8178.1-61.574.817.900112.6S186S186-Q188 PolarHBondContact O-N 3.49Å
189G83.8Confident94.1Very high11 Ų1140.5 Ų40.511%0.11322%0.221CC..SBendtrans82.914.5179.300000114.6S186 P187 R289S186-G189 PolarHBondContact O-N 2.99Å; S186-G189 PolarHBondContact OG-N 3.43Å; P187-G189 PolarHBondContact O-N 3.1Å; G189-R289 PolarHBondContact O-NH2 3.4Å
190Q91.3Very high94.1Very high136 Ų13640.4 Ų40.464%0.63622%0.22SC*.  trans-79.3131.3166.9-178.1-174.1-5.900109.9M185 S186 L192M185-Q190 WeakPolarHBondContact CG-O 3.28Å; S186-Q190 PolarHBondContact N-O 3.25Å; S186-Q190 WeakPolarHBondContact OG-CA 3.37Å; S186-Q190 VanDerWaalsContact OG-CB 3.32Å; S186-Q190 WeakPolarHBondContact OG-CB 3.32Å; S186-Q190 PolarHBondContact OG-N 3.13Å; S186-Q190 PolarHBondContact OG-O 2.88Å; Q190-L192 PolarHBondContact O-N 2.84Å
191V93.6Very high94.1Very high62 Ų6239.9 Ų39.938%0.37622%0.216SC..EExtended strand (participates in β ladder)trans-69.2119.4174.7179.10000109.3L183 A194 L286L183-V191 HydrophobicContact CD1-CB 4.46Å; L183-V191 HydrophobicContact CD1-CG1 3.71Å; L183-V191 HydrophobicContact CD1-CG2 4.15Å; V191-A194 HydrophobicContact CG1-CB 3.71Å; V191-L286 HydrophobicContact CG2-CD1 3.64Å
192L94.1Very high94.1Very high81 Ų8139.9 Ų39.942%0.42422%0.216SC..EExtended strand (participates in β ladder)trans-90.7-37.6177.1-60.1177.4000111.4L184 Q190L184-L192 HydrophobicContact CD2-CB 4.38Å; L184-L192 HydrophobicContact CD2-CD1 4.33Å; L184-L192 HydrophobicContact CG-CB 4.27Å; L184-L192 HydrophobicContact CG-CD1 4.22Å; L184-L192 WeakPolarHBondContact O-CA 3.23Å; L184-L192 WeakPolarHBondContact O-CB 3.38Å; L184-L192 PolarHBondContact O-N 3.33Å; Q190-L192 PolarHBondContact O-N 2.84Å
193S94.9Very high94.1Very high59 Ų5941.5 Ų41.541%0.41322%0.222SC..EExtended strand (participates in β ladder)trans-152133.8174.9166.30000108.9L183 L184L183-S193 CarbonylContact C-O 3.55Å; L183-S193 WeakPolarHBondContact CA-O 3.29Å; L184-S193 PolarHBondContact N-O 2.83Å; L184-S193 PolarHBondContact O-N 2.84Å; L184-S193 VanDerWaalsContact O-N 3.14Å
194A95.4Very high94.1Very high24 Ų2441.3 Ų41.320%0.19822%0.221CC..EExtended strand (participates in β ladder)trans-141.4131.2171.800000109.8N182 L183 V191 I284 L286N182-A194 CarbonylContact O-C 3.44Å; N182-A194 VanDerWaalsContact O-CA 3.28Å; N182-A194 WeakPolarHBondContact O-CA 3.3Å; L183-A194 HydrophobicContact CD1-CB 3.95Å; V191-A194 HydrophobicContact CG1-CB 3.71Å; A194-I284 HydrophobicContact CB-CD1 4.34Å; A194-L286 HydrophobicContact CB-CD2 4.32Å
195H96Very high94.1Very high51 Ų5143.1 Ų43.124%0.23623%0.226CC..EExtended strand (participates in β ladder)trans-150.8152.1168.768-83.4000110.5N182 T280 T281 I284N182-H195 WeakPolarHBondContact CB-CE1 2.99Å; N182-H195 PolarHBondContact N-O 3.17Å; N182-H195 PolarHBondContact ND2-CD2 3.03Å; N182-H195 PolarHBondContact ND2-NE2 3.49Å; N182-H195 PolarHBondContact O-N 2.87Å; H195-T280 CarbonylContact C-O 3.58Å; H195-T280 WeakPolarHBondContact CA-O 3.45Å; H195-T281 HydrophobicContact CB-CG2 3.82Å; H195-I284 VanDerWaalsContact CA-CD1 3.48Å
196V97.3Very high94.2Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-105.8127.7172.61750000108.4E179 S180 V181 R279 T280 I284 P397E179-V196 HydrophobicContact CB-CG1 3.76Å; E179-V196 HydrophobicContact CG-CG1 3.95Å; S180-V196 WeakPolarHBondContact O-CA 3.23Å; V181-V196 HydrophobicContact CG2-CG2 4.37Å; V196-R279 WeakPolarHBondContact O-CA 3.17Å; V196-T280 PolarHBondContact N-O 2.81Å; V196-T280 PolarHBondContact O-N 2.68Å; V196-I284 HydrophobicContact CG2-CB 4.34Å; V196-I284 HydrophobicContact CG2-CD1 4.09Å; V196-I284 HydrophobicContact CG2-CG1 3.92Å; V196-I284 HydrophobicContact CG2-CG2 3.49Å; V196-I284 VanDerWaalsContact CG2-CG2 3.49Å; V196-P397 HydrophobicContact CG2-CB 4.01Å
197S97.6Very high94.4Very high46 Ų4643 Ų4332%0.32223%0.225SC..EExtended strand (participates in β ladder)trans-101.1108.3166.1-580000108.1S180S180-S197 PolarHBondContact N-O 2.78Å; S180-S197 PolarHBondContact O-N 2.92Å
198G97.1Very high94.9Very high2 Ų241.2 Ų41.22%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-108.1152.5-17800000112.3L178 R277 Y278L178-G198 CarbonylContact O-C 3.54Å; L178-G198 WeakPolarHBondContact O-CA 3.45Å; G198-R277 CarbonylContact O-C 3.53Å; G198-R277 WeakPolarHBondContact O-CA 3.27Å; G198-R277 VanDerWaalsContact O-CG 3.32Å; G198-R277 WeakPolarHBondContact O-CG 3.4Å; G198-Y278 VanDerWaalsContact C-CE1 3.48Å; G198-Y278 PolarHBondContact N-O 2.82Å; G198-Y278 PolarHBondContact O-N 2.9Å; G198-Y278 VanDerWaalsContact O-O 3.11Å
199R97.4Very high95.4Very high74 Ų7435.3 Ų35.328%0.27919%0.188SC..EExtended strand (participates in β ladder)trans-143146.9168.761.5174.7179.41786110.7L178 V201 E274 M276L178-R199 HydrophobicContact CB-CG 3.96Å; L178-R199 PolarHBondContact N-O 2.69Å; L178-R199 PolarHBondContact O-N 2.81Å; R199-V201 HydrophobicContact CG-CG2 4.28Å; R199-E274 HydrophobicContact CB-CG 4.17Å; R199-E274 WeakPolarHBondContact CD-OE2 3.36Å; R199-E274 IonicContact NE-OE2 3.71Å; R199-E274 IonicContact NH1-OE2 3.57Å; R199-E274 PolarHBondContact NH1-OE2 2.8Å; R199-M276 CarbonylContact C-O 3.53Å; R199-M276 VanDerWaalsContact CA-O 3.29Å; R199-M276 WeakPolarHBondContact CA-O 3.48Å
200V97.6Very high96Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-105.5107.4174-175.50000107.4D176 F214 L275 M276 Y278D176-V200 WeakPolarHBondContact O-CA 3.23Å; V200-F214 HydrophobicContact CG2-CZ 4.48Å; V200-L275 PolarHBondContact O-N 2.67Å; V200-M276 HydrophobicContact CB-CG 3.77Å; V200-M276 HydrophobicContact CG2-CG 3.6Å; V200-M276 HydrophobicContact CG2-SD 4.07Å; V200-M276 PolarHBondContact N-O 3.19Å; V200-Y278 HydrophobicContact CG2-CE1 4.03Å
201V97.8Very high96.2Very high9 Ų930.9 Ų30.96%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-96.2130.5173.9-179.80000107.8D176 L178 R199 E272 Y273D176-V201 HydrophobicContact CB-CB 4.23Å; D176-V201 PolarHBondContact N-O 3.39Å; D176-V201 PolarHBondContact O-N 2.78Å; L178-V201 HydrophobicContact CD1-CG2 4.02Å; R199-V201 HydrophobicContact CG-CG2 4.28Å; V201-E272 HydrophobicContact CG1-CG 3.8Å; V201-Y273 WeakPolarHBondContact CA-O 3.46Å
202M97.1Very high96.3Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-118.1138.9-178.3-171.9160.3171.300109.3L173 F174 L175 F266 E272 Y273 L275 L405L173-M202 HydrophobicContact CB-CE 4.29Å; L173-M202 HydrophobicContact CD1-CE 3.64Å; L173-M202 HydrophobicContact CD2-CE 3.25Å; L173-M202 HydrophobicContact CG-CE 3.9Å; F174-M202 CarbonylContact O-C 3.58Å; F174-M202 WeakPolarHBondContact O-CA 3.16Å; L175-M202 HydrophobicContact CD1-CG 4.49Å; L175-M202 HydrophobicContact CG-CG 4.38Å; L175-M202 HydrophobicContact CG-SD 4.47Å; M202-F266 HydrophobicContact CE-CE2 4.33Å; M202-F266 HydrophobicContact CE-CZ 4.39Å; M202-F266 HydrophobicContact SD-CE2 3.97Å; M202-F266 HydrophobicContact SD-CZ 3.95Å; M202-E272 CarbonylContact O-C 3.58Å; M202-E272 WeakPolarHBondContact O-CA 3.27Å; M202-Y273 HydrophobicContact CB-CE1 4.06Å; M202-Y273 HydrophobicContact CB-CE2 4.18Å; M202-Y273 HydrophobicContact CG-CE1 4.21Å; M202-Y273 PolarHBondContact N-O 3.3Å; M202-Y273 PolarHBondContact O-N 3.16Å; M202-Y273 PolarHBondContact SD-OH 3.28Å; M202-L275 HydrophobicContact SD-CD2 4.48Å; M202-L405 HydrophobicContact CE-CD2 4.34Å
203K96.9Very high96.3Very high56 Ų5627.9 Ų27.924%0.24314%0.142CC..EExtended strand (participates in β ladder)trans-115.8115166.6-46.7-171.2-173.4-147.80108L173 F174 Y205 G271 E272L173-K203 WeakPolarHBondContact CA-O 3.21Å; F174-K203 HydrophobicContact CB-CB 4.13Å; F174-K203 HydrophobicContact CB-CG 4.48Å; F174-K203 HydrophobicContact CD2-CB 4.3Å; F174-K203 PolarHBondContact N-O 3.42Å; F174-K203 PolarHBondContact O-N 2.63Å; K203-Y205 HydrophobicContact CB-CE2 4.37Å; K203-G271 CarbonylContact C-O 3.54Å; K203-G271 VanDerWaalsContact CA-O 3.28Å; K203-G271 WeakPolarHBondContact CA-O 3.35Å; K203-E272 HydrophobicContact CD-CB 4.46Å; K203-E272 WeakPolarHBondContact CE-OE2 3.33Å; K203-E272 HydrophobicContact CG-CB 4.03Å; K203-E272 HydrophobicContact CG-CG 4.05Å; K203-E272 IonicContact NZ-OE2 2.68Å; K203-E272 PolarHBondContact NZ-OE2 3.18Å
204S96.4Very high96.3Very high0 Ų025.1 Ų25.10%012%0.123CC..EExtended strand (participates in β ladder)trans-115.6122.5-179.850.40000112.1L173 P269 G271 Y273L173-S204 VanDerWaalsContact CD2-CA 3.48Å; S204-P269 PolarHBondContact OG-O 3.14Å; S204-G271 PolarHBondContact N-O 2.79Å; S204-G271 PolarHBondContact O-N 2.89Å; S204-Y273 WeakPolarHBondContact OG-CE1 3.06Å
205Y96.8Very high96Very high82 Ų8224.2 Ų24.232%0.32212%0.116SC..EExtended strand (participates in β ladder)trans-115.876.9170.5-55.6-65.6000106.8Y168 N171 E172 F174 K203Y168-Y205 HydrophobicContact CD1-CD1 4.49Å; Y168-Y205 AromaticContact CE1-CD1 3.63Å; Y168-Y205 HydrophobicContact CE1-CD1 3.63Å; Y168-Y205 HydrophobicContact CE1-CG 4.1Å; Y168-Y205 AromaticContact CZ-CD1 3.76Å; N171-Y205 CarbonylContact C-O 3.58Å; N171-Y205 VanDerWaalsContact CA-O 3.29Å; N171-Y205 WeakPolarHBondContact CA-O 3.41Å; E172-Y205 PolarHBondContact N-O 2.85Å; E172-Y205 PolarHBondContact O-N 2.7Å; F174-Y205 HydrophobicContact CD2-CD2 4.21Å; F174-Y205 HydrophobicContact CD2-CE2 4.12Å; F174-Y205 AromaticContact CE2-CD2 3.89Å; F174-Y205 HydrophobicContact CE2-CD2 3.89Å; F174-Y205 AromaticContact CE2-CE2 3.96Å; F174-Y205 HydrophobicContact CE2-CE2 3.96Å; K203-Y205 HydrophobicContact CB-CE2 4.37Å
206L96.6Very high95.8Very high0 Ų022.3 Ų22.30%011%0.108CC..  trans-118.4142-175.3-63.9-178.5000110.4R162 I166 Y168 N171 L173 P210 P268 V407 V419R162-L206 PolarHBondContact NH2-O 3.5Å; I166-L206 WeakPolarHBondContact CG2-O 3.26Å; Y168-L206 VanDerWaalsContact CD2-C 3.44Å; Y168-L206 VanDerWaalsContact CD2-O 3.29Å; Y168-L206 WeakPolarHBondContact CD2-O 3.33Å; Y168-L206 WeakPolarHBondContact CE2-O 3.24Å; N171-L206 HydrophobicContact CB-CD2 3.83Å; L173-L206 HydrophobicContact CD1-CD1 4.1Å; L173-L206 HydrophobicContact CD1-CD2 4.37Å; L173-L206 HydrophobicContact CD2-CD1 3.66Å; L173-L206 HydrophobicContact CD2-CD2 3.99Å; L173-L206 HydrophobicContact CD2-CG 3.69Å; L173-L206 HydrophobicContact CG-CD1 4.14Å; L173-L206 HydrophobicContact CG-CD2 3.92Å; L173-L206 HydrophobicContact CG-CG 4.18Å; L206-P210 HydrophobicContact CB-CG 3.8Å; L206-P210 HydrophobicContact CD1-CB 4.16Å; L206-P210 HydrophobicContact CD1-CG 3.46Å; L206-P210 VanDerWaalsContact CD1-CG 3.46Å; L206-P210 HydrophobicContact CG-CG 4.29Å; L206-P268 HydrophobicContact CD1-CG 3.96Å; L206-V407 HydrophobicContact CD1-CG1 4.01Å; L206-V419 HydrophobicContact CD2-CG1 3.77Å; L206-V419 HydrophobicContact CD2-CG2 4.16Å
207S96.4Very high95.4Very high11 Ų1122.7 Ų22.78%0.07711%0.11CC..SBendtrans-81.4147.8175.2-52.40000111I166 Y168 N171 Y414I166-S207 CarbonylContact O-C 3.56Å; I166-S207 VanDerWaalsContact O-CA 3.23Å; I166-S207 WeakPolarHBondContact O-CA 3.4Å; Y168-S207 PolarHBondContact N-OG 3.05Å; Y168-S207 PolarHBondContact O-OG 3.14Å; N171-S207 WeakPolarHBondContact OD1-CB 3.36Å; N171-S207 PolarHBondContact OD1-N 2.86Å; N171-S207 PolarHBondContact OD1-OG 2.64Å; S207-Y414 PolarHBondContact N-OH 2.86Å; S207-Y414 VanDerWaalsContact O-CE1 3.28Å; S207-Y414 WeakPolarHBondContact O-CE1 3.46Å; S207-Y414 PolarHBondContact O-OH 2.9Å
208G94.4Very high94.7Very high8 Ų820.9 Ų20.98%0.08210%0.096CC..SBendtrans75.7-147.5176.200000114.4R162 I166 P210R162-G208 VanDerWaalsContact CZ-O 3.25Å; R162-G208 PolarHBondContact NE-O 2.91Å; R162-G208 PolarHBondContact NH2-O 2.81Å; I166-G208 PolarHBondContact O-N 2.6Å; G208-P210 WeakPolarHBondContact O-CD 3.28Å
209M94.5Very high93.7Very high30 Ų3024.8 Ų24.815%0.14811%0.113CC..  trans-122.261.5-179.9-64.7-65.1-75.100111.3I159 R162 E164 I267 E409I159-M209 HydrophobicContact CB-CE 4.3Å; I159-M209 HydrophobicContact CD1-CE 3.95Å; I159-M209 HydrophobicContact CG2-CE 3.82Å; R162-M209 HydrophobicContact CB-CE 4.08Å; R162-M209 HydrophobicContact CB-SD 4.08Å; R162-M209 VanDerWaalsContact CD-SD 3.53Å; R162-M209 HydrophobicContact CG-CE 4.29Å; R162-M209 HydrophobicContact CG-SD 3.64Å; E164-M209 HydrophobicContact CG-CG 3.99Å; E164-M209 HydrophobicContact CG-SD 4.25Å; M209-I267 HydrophobicContact CE-CG2 4.23Å; M209-E409 VanDerWaalsContact CA-OE2 3.28Å; M209-E409 WeakPolarHBondContact CA-OE2 3.18Å; M209-E409 PolarHBondContact N-OE2 2.84Å
210P96.2Very high92.6Very high0 Ų024.7 Ų24.70%012%0.117CC..  trans-67.9142.2-171.426.6-35.6000111.9L206 G208 P268 V407 F408 E409L206-P210 HydrophobicContact CB-CG 3.8Å; L206-P210 HydrophobicContact CD1-CB 4.16Å; L206-P210 HydrophobicContact CD1-CG 3.46Å; L206-P210 VanDerWaalsContact CD1-CG 3.46Å; L206-P210 HydrophobicContact CG-CG 4.29Å; G208-P210 WeakPolarHBondContact O-CD 3.28Å; P210-P268 HydrophobicContact CG-CG 4.22Å; P210-P268 VanDerWaalsContact O-CD 3.24Å; P210-P268 WeakPolarHBondContact O-CD 3.42Å; P210-V407 HydrophobicContact CB-CG1 3.92Å; P210-F408 CarbonylContact C-O 3.32Å; P210-F408 WeakPolarHBondContact CA-O 3.4Å; P210-E409 WeakPolarHBondContact CA-OE2 3.17Å; P210-E409 HydrophobicContact CB-CB 4.21Å
211E95.8Very high91.2Very high53 Ų5325.8 Ų25.825%0.24812%0.123CC..EExtended strand (participates in β ladder)trans-87.5123.6165.7-173.8168.4159.100109.7R254 K257 S265 F408E211-R254 IonicContact OE1-NH1 3.79Å; E211-R254 PolarHBondContact OE1-NH1 3.14Å; E211-R254 IonicContact OE2-CZ 3.41Å; E211-R254 IonicContact OE2-NH1 3.77Å; E211-R254 PolarHBondContact OE2-NH1 2.85Å; E211-R254 IonicContact OE2-NH2 3.75Å; E211-K257 IonicContact OE1-NZ 2.92Å; E211-S265 PolarHBondContact OE1-OG 2.94Å; E211-F408 PolarHBondContact N-O 2.63Å; E211-F408 PolarHBondContact O-N 2.92Å
212C96.3Very high89.7Confident0 Ų026.7 Ų26.70%013%0.128CC..EExtended strand (participates in β ladder)trans-105.2146.6175.6-64.50000111.5S265 F266 K406C212-S265 WeakPolarHBondContact O-CA 3.29Å; C212-F266 HydrophobicContact CB-CD1 4.25Å; C212-F266 HydrophobicContact CB-CD2 4.13Å; C212-F266 HydrophobicContact CB-CE1 3.87Å; C212-F266 HydrophobicContact CB-CE2 3.74Å; C212-F266 HydrophobicContact CB-CG 4.38Å; C212-F266 HydrophobicContact CB-CZ 3.6Å; C212-F266 PolarHBondContact N-O 3.01Å; C212-F266 PolarHBondContact O-N 3.09Å; C212-K406 CarbonylContact C-O 3.6Å; C212-K406 WeakPolarHBondContact CA-O 3.41Å
213K94.7Very high88.4Confident80 Ų8030.8 Ų30.835%0.34815%0.15SC..EExtended strand (participates in β ladder)trans-127.9120.2169-60.5-173.6-179.9-1760110.5I264 Y404 L405 K406K213-I264 CarbonylContact C-O 3.5Å; K213-I264 VanDerWaalsContact CA-O 3.31Å; K213-I264 WeakPolarHBondContact CA-O 3.32Å; K213-Y404 HydrophobicContact CB-CE2 4.46Å; K213-L405 CarbonylContact O-C 3.58Å; K213-L405 WeakPolarHBondContact O-CA 3.37Å; K213-K406 HydrophobicContact CB-CB 4.25Å; K213-K406 PolarHBondContact N-O 2.95Å; K213-K406 PolarHBondContact O-N 3.22Å
214F93.4Very high86.9Confident1 Ų134.6 Ų34.60%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-105.5130.4178.5173.8-100.8000110.5L175 V200 M216 I264 F266 L275 M276 V402 L405L175-F214 HydrophobicContact CD2-CD2 3.98Å; L175-F214 HydrophobicContact CD2-CE2 3.87Å; V200-F214 HydrophobicContact CG2-CZ 4.48Å; F214-M216 HydrophobicContact CE1-CB 4.13Å; F214-M216 HydrophobicContact CE1-CG 4.42Å; F214-M216 HydrophobicContact CE1-SD 4.12Å; F214-M216 HydrophobicContact CZ-CB 4.34Å; F214-I264 HydrophobicContact CB-CB 4.23Å; F214-I264 HydrophobicContact CB-CG2 4.3Å; F214-I264 HydrophobicContact CD1-CB 4.34Å; F214-I264 HydrophobicContact CD1-CD1 3.64Å; F214-I264 HydrophobicContact CE1-CD1 4.15Å; F214-I264 PolarHBondContact N-O 2.91Å; F214-I264 PolarHBondContact O-N 3.5Å; F214-F266 HydrophobicContact CB-CE1 3.82Å; F214-F266 HydrophobicContact CB-CZ 4.46Å; F214-L275 HydrophobicContact CB-CD2 4.45Å; F214-L275 HydrophobicContact CG-CD2 4.42Å; F214-M276 HydrophobicContact CE1-SD 4Å; F214-V402 HydrophobicContact CD2-CG1 4.15Å; F214-V402 HydrophobicContact CE2-CB 4.18Å; F214-V402 HydrophobicContact CE2-CG1 3.65Å; F214-V402 HydrophobicContact CE2-CG2 3.63Å; F214-V402 HydrophobicContact CZ-CG2 4.02Å; F214-L405 HydrophobicContact CB-CD1 4.2Å; F214-L405 HydrophobicContact CD2-CD1 4.39Å
215G90Very high85.2Confident5 Ų540.1 Ų40.15%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-124.4133.5178.100000111.5R403 Y404G215-R403 PolarHBondContact O-N 3.23Å; G215-Y404 PolarHBondContact N-O 3.22Å; G215-Y404 PolarHBondContact O-N 3.36Å
216M90.9Very high83.3Confident12 Ų1238.9 Ų38.96%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-122.7166.717760.8-168.2161.200111.2F214 D218 I244 I264 M276 L400 K401 R403F214-M216 HydrophobicContact CE1-CB 4.13Å; F214-M216 HydrophobicContact CE1-CG 4.42Å; F214-M216 HydrophobicContact CE1-SD 4.12Å; F214-M216 HydrophobicContact CZ-CB 4.34Å; M216-D218 HydrophobicContact CG-CB 4.17Å; M216-D218 PolarHBondContact O-N 3.33Å; M216-I244 HydrophobicContact CE-CD1 3.65Å; M216-I244 HydrophobicContact SD-CD1 3.65Å; M216-I264 HydrophobicContact CE-CD1 3.67Å; M216-M276 HydrophobicContact CE-CE 4.01Å; M216-M276 HydrophobicContact CE-SD 4.41Å; M216-M276 HydrophobicContact SD-CE 4.14Å; M216-M276 HydrophobicContact SD-SD 4.29Å; M216-L400 HydrophobicContact SD-CD1 4.06Å; M216-K401 WeakPolarHBondContact CA-O 3.48Å; M216-R403 WeakPolarHBondContact O-CD 3.45Å
217N89.8Confident81.2Confident8 Ų848.2 Ų48.24%0.04325%0.245CC..  trans-7544.3176.263.6-32.3000113.3K219 I222 Q240 S241 I242 G399 L400 K401 R403N217-K219 PolarHBondContact O-N 2.94Å; N217-I222 HydrophobicContact CB-CD1 3.89Å; N217-I222 WeakPolarHBondContact O-CD1 3.39Å; N217-Q240 PolarHBondContact ND2-O 2.95Å; N217-S241 CarbonylContact O-C 3.55Å; N217-S241 VanDerWaalsContact O-CA 3.27Å; N217-S241 WeakPolarHBondContact O-CA 3.23Å; N217-I242 WeakPolarHBondContact O-CG2 3.44Å; N217-I242 PolarHBondContact O-N 3.32Å; N217-G399 PolarHBondContact ND2-O 2.98Å; N217-L400 WeakPolarHBondContact OD1-CA 3.37Å; N217-K401 PolarHBondContact N-O 2.82Å; N217-K401 VanDerWaalsContact N-O 3.16Å; N217-K401 PolarHBondContact OD1-N 2.77Å; N217-K401 PolarHBondContact OD1-O 2.88Å; N217-R403 HydrophobicContact CB-CG 4.32Å
218D83Confident78.8Confident8 Ų851.4 Ų51.44%0.04328%0.279CS..BIsolated β-bridgetrans-62.2128.5176.6-179.65.7000110.4M216 I220 V221 I222M216-D218 HydrophobicContact CG-CB 4.17Å; M216-D218 PolarHBondContact O-N 3.33Å; D218-I220 VanDerWaalsContact C-N 3.26Å; D218-I220 PolarHBondContact O-N 3.4Å; D218-I220 PolarHBondContact OD1-N 2.97Å; D218-V221 HydrophobicContact CB-CB 4.29Å; D218-V221 HydrophobicContact CB-CG2 3.94Å; D218-V221 WeakPolarHBondContact O-CB 3.39Å; D218-V221 PolarHBondContact O-N 2.93Å; D218-V221 VanDerWaalsContact O-N 3.11Å; D218-I222 WeakPolarHBondContact O-CG1 3.49Å; D218-I222 PolarHBondContact O-N 3.04Å
219K76.8Confident76.3Confident83 Ų8353.5 Ų53.536%0.36130%0.301SS..Hα-helixtrans-55.6-40.6-179.3-173.3168.9-176.3173.60112.2N217 V221 I222 D223 S241 I242 A243N217-K219 PolarHBondContact O-N 2.94Å; K219-V221 VanDerWaalsContact C-N 3.3Å; K219-V221 PolarHBondContact O-N 2.88Å; K219-I222 PolarHBondContact O-N 3.22Å; K219-D223 WeakPolarHBondContact O-CB 3.42Å; K219-D223 PolarHBondContact O-N 2.92Å; K219-S241 WeakPolarHBondContact CG-OG 3.42Å; K219-I242 WeakPolarHBondContact CB-O 3.35Å; K219-I242 PolarHBondContact N-O 2.74Å; K219-A243 HydrophobicContact CD-CB 4.47Å
220I74.3Confident73.8Confident72 Ų7257.7 Ų57.737%0.36934%0.34SS..Hα-helixtrans-62.9-40.8179.3-60.2175.9000110.9D218 K224 R262D218-I220 VanDerWaalsContact C-N 3.26Å; D218-I220 PolarHBondContact O-N 3.4Å; D218-I220 PolarHBondContact OD1-N 2.97Å; I220-K224 WeakPolarHBondContact O-CG 3.32Å; I220-K224 PolarHBondContact O-N 3.41Å; I220-R262 HydrophobicContact CG2-CG 4.39Å
221V68.2Low70.9Confident23 Ų2362.5 Ų62.514%0.13937%0.374CS..Hα-helixtrans-69.3-42.5179179.10000111D218 K219 Q225 R262D218-V221 HydrophobicContact CB-CB 4.29Å; D218-V221 HydrophobicContact CB-CG2 3.94Å; D218-V221 WeakPolarHBondContact O-CB 3.39Å; D218-V221 PolarHBondContact O-N 2.93Å; D218-V221 VanDerWaalsContact O-N 3.11Å; K219-V221 VanDerWaalsContact C-N 3.3Å; K219-V221 PolarHBondContact O-N 2.88Å; V221-Q225 WeakPolarHBondContact O-CG 3.41Å; V221-Q225 PolarHBondContact O-N 2.92Å; V221-Q225 VanDerWaalsContact O-N 3.15Å; V221-R262 HydrophobicContact CG2-CB 3.41Å; V221-R262 VanDerWaalsContact CG2-CB 3.41Å; V221-R262 HydrophobicContact CG2-CG 4.26Å
222I65.4Low68.2Low28 Ų2868.5 Ų68.514%0.14441%0.408CS..Hα-helixtrans-66.6-43.3-179.4-69.1169.4000110.7N217 D218 K219 K224 Q225 G226N217-I222 HydrophobicContact CB-CD1 3.89Å; N217-I222 WeakPolarHBondContact O-CD1 3.39Å; D218-I222 WeakPolarHBondContact O-CG1 3.49Å; D218-I222 PolarHBondContact O-N 3.04Å; K219-I222 PolarHBondContact O-N 3.22Å; I222-K224 PolarHBondContact O-N 3.45Å; I222-Q225 PolarHBondContact O-N 3.28Å; I222-G226 PolarHBondContact O-N 3.04Å
223D68.9Low65.4Low87 Ų8775 Ų7547%0.46544%0.443SS..Hα-helixtrans-67.1-35.7-179.5-67.8-11000111.7K219 G226K219-D223 WeakPolarHBondContact O-CB 3.42Å; K219-D223 PolarHBondContact O-N 2.92Å; D223-G226 PolarHBondContact O-N 2.72Å
224K65.4Low62.8Low136 Ų13676.7 Ų76.759%0.59147%0.471SS*.Hα-helixtrans-65.3-38.9172.4-77.6-176.1177.2-172.90112.6I220 I222I220-K224 WeakPolarHBondContact O-CG 3.32Å; I220-K224 PolarHBondContact O-N 3.41Å; I222-K224 PolarHBondContact O-N 3.45Å
225Q61.7Low60Low116 Ų11678.4 Ų78.454%0.54249%0.49SS..Hα-helixtrans-73.8-28.1176.9-73.5176.12.200112.6V221 I222 R403V221-Q225 WeakPolarHBondContact O-CG 3.41Å; V221-Q225 PolarHBondContact O-N 2.92Å; V221-Q225 VanDerWaalsContact O-N 3.15Å; I222-Q225 PolarHBondContact O-N 3.28Å; Q225-R403 VanDerWaalsContact OE1-NH2 3.13Å
226G56.6Low57.6Low56 Ų5688.9 Ų88.958%0.57753%0.534SS*.Hα-helixtrans-74.4-17.3-17900000115.4I222 D223 G228I222-G226 PolarHBondContact O-N 3.04Å; D223-G226 PolarHBondContact O-N 2.72Å; G226-G228 VanDerWaalsContact C-N 3.29Å; G226-G228 PolarHBondContact O-N 3Å
227K52.9Low55.1Low195 Ų19593.1 Ų93.185%0.84857%0.565SS**THydrogen-bonded Turntrans-80.4-1.5178.4-75.3-173174.2-174.30114.8
228G45.2Very low53Low78 Ų7896.3 Ų96.380%0.80460%0.599SS**THydrogen-bonded Turntrans-95.53.7-177.600000116.1G226G226-G228 VanDerWaalsContact C-N 3.29Å; G226-G228 PolarHBondContact O-N 3Å
229G41.6Very low51.6Low53 Ų53104.1 Ų104.155%0.54663%0.633SS.*  trans-145.196.9-179.500000110.8S231G229-S231 VanDerWaalsContact C-N 3.35Å; G229-S231 PolarHBondContact O-N 3.29Å
230A41.8Very low51.1Low117 Ų117105.5 Ų105.597%0.96764%0.641SS**  trans-6995164.800000108.4
231S36.3Very low51.3Low101 Ų101103.5 Ų103.571%0.70663%0.633SS**  trans-139.6109.2155.560.90000107.3G229 D233G229-S231 VanDerWaalsContact C-N 3.35Å; G229-S231 PolarHBondContact O-N 3.29Å; S231-D233 VanDerWaalsContact C-N 3.33Å; S231-D233 PolarHBondContact O-N 2.88Å
232D39.6Very low52.1Low179 Ų179102.5 Ų102.596%0.95763%0.627SS**  trans-57.492.2168.5-80-41.7000109.9
233D36.2Very low53.1Low137 Ų137102.1 Ų102.173%0.73363%0.628SS**  trans-130.882.1158.5-160.99.7000108.9S231 G235S231-D233 VanDerWaalsContact C-N 3.33Å; S231-D233 PolarHBondContact O-N 2.88Å; D233-G235 PolarHBondContact O-N 3.37Å
234A40.9Very low54Low115 Ų11599.4 Ų99.495%0.9561%0.613SS**  trans-69.667.2165.900000109.2
235G34.9Very low55.2Low38 Ų3895.5 Ų95.539%0.39260%0.599SS.*  trans-139.588.8-172.800000113D233 S237D233-G235 PolarHBondContact O-N 3.37Å; G235-S237 PolarHBondContact O-N 2.8Å
236K39.2Very low56.6Low224 Ų22494.1 Ų94.197%0.97460%0.595SS**SBendtrans36.153.8149.6-69.1178.8177.8170.60118.8
237S38.9Very low58.3Low101 Ų10193.4 Ų93.471%0.70658%0.581SS**  trans-138.577.9153.563.40000110.6G235 K239G235-S237 PolarHBondContact O-N 2.8Å; S237-K239 PolarHBondContact O-N 3.14Å
238G44.1Very low60.3Low75 Ų7588.3 Ų88.377%0.77357%0.566SS**  trans-57.298.1177.300000110.8Q240G238-Q240 VanDerWaalsContact C-N 3.25Å; G238-Q240 PolarHBondContact O-N 3.07Å
239K54.8Low62.7Low173 Ų17386.6 Ų86.675%0.75254%0.537SS*.  trans-60.595.5167.3-78.1177.9-178.3168.40106.5S237 S241S237-K239 PolarHBondContact O-N 3.14Å; K239-S241 PolarHBondContact O-N 3.18Å
240Q66.1Low65.2Low112 Ų11286.7 Ų86.752%0.52352%0.523SS..  trans-56104.4175.4-73176.3-31.700107.5N217 G238N217-Q240 PolarHBondContact ND2-O 2.95Å; G238-Q240 VanDerWaalsContact C-N 3.25Å; G238-Q240 PolarHBondContact O-N 3.07Å
241S79.3Confident67.6Low30 Ų3086 Ų8621%0.2150%0.5CS..  trans-103146.2174.160.10000109.1N217 K219 K239N217-S241 CarbonylContact O-C 3.55Å; N217-S241 VanDerWaalsContact O-CA 3.27Å; N217-S241 WeakPolarHBondContact O-CA 3.23Å; K219-S241 WeakPolarHBondContact CG-OG 3.42Å; K239-S241 PolarHBondContact O-N 3.18Å
242I84.8Confident70.3Confident2 Ų281.4 Ų81.41%0.0147%0.468CS..BIsolated β-bridgetrans-93.7129.9174.3-177.3172.7000109.3N217 K219 I244 Y278 S398 L400N217-I242 WeakPolarHBondContact O-CG2 3.44Å; N217-I242 PolarHBondContact O-N 3.32Å; K219-I242 WeakPolarHBondContact CB-O 3.35Å; K219-I242 PolarHBondContact N-O 2.74Å; I242-I244 HydrophobicContact CD1-CG1 3.91Å; I242-I244 HydrophobicContact CG1-CG1 3.92Å; I242-I244 HydrophobicContact CG2-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CG1 4.15Å; I242-Y278 HydrophobicContact CD1-CD2 4.34Å; I242-Y278 HydrophobicContact CD1-CE2 4.12Å; I242-S398 WeakPolarHBondContact CD1-OG 3.48Å; I242-L400 HydrophobicContact CD1-CB 3.86Å; I242-L400 HydrophobicContact CD1-CD1 4.13Å; I242-L400 HydrophobicContact CD1-CG 4.43Å
243A84.8Confident73Confident20 Ų2073.3 Ų73.317%0.16543%0.425CS..  trans-89.5102.5164.600000108.3K219 T280K219-A243 HydrophobicContact CD-CB 4.47Å; A243-T280 WeakPolarHBondContact O-CB 3.33Å; A243-T280 WeakPolarHBondContact O-CG2 3.2Å; A243-T280 PolarHBondContact O-OG1 2.64Å
244I89.8Confident75.8Confident30 Ų3071.1 Ų71.115%0.15441%0.406CS..  trans-83.9123174.2-62.6174.5000107.4M216 I242 D246 C247M216-I244 HydrophobicContact CE-CD1 3.65Å; M216-I244 HydrophobicContact SD-CD1 3.65Å; I242-I244 HydrophobicContact CD1-CG1 3.91Å; I242-I244 HydrophobicContact CG1-CG1 3.92Å; I242-I244 HydrophobicContact CG2-CD1 4.31Å; I242-I244 HydrophobicContact CG2-CG1 4.15Å; I244-D246 WeakPolarHBondContact CG2-O 3.34Å; I244-C247 HydrophobicContact CG2-CB 4.08Å
245D90.4Very high78.2Confident53 Ų5370.2 Ų70.228%0.28338%0.384SS..SBendtrans-75.9-51.8177.2-61.6-37000109.6R279 T280 T281D245-R279 WeakPolarHBondContact CB-O 3.13Å; D245-R279 PolarHBondContact N-O 2.83Å; D245-T280 WeakPolarHBondContact OD2-CA 3.06Å; D245-T281 PolarHBondContact OD1-OG1 2.91Å; D245-T281 WeakPolarHBondContact OD2-CB 3Å; D245-T281 WeakPolarHBondContact OD2-CG2 2.94Å; D245-T281 PolarHBondContact OD2-N 3.48Å; D245-T281 PolarHBondContact OD2-OG1 2.9Å
246D90.4Very high80.8Confident88 Ų8872.8 Ų72.847%0.47140%0.396SS..EExtended strand (participates in β ladder)trans-141.1147178.8-44-69.6000109.8I244 Y278 R279I244-D246 WeakPolarHBondContact CG2-O 3.34Å; D246-Y278 CarbonylContact O-C 3.55Å; D246-Y278 VanDerWaalsContact O-CA 3.26Å; D246-Y278 WeakPolarHBondContact O-CA 3.12Å; D246-R279 PolarHBondContact N-O 3.49Å; D246-R279 PolarHBondContact O-N 2.75Å; D246-R279 IonicContact OD2-CZ 2.65Å; D246-R279 IonicContact OD2-NE 3.29Å; D246-R279 PolarHBondContact OD2-NE 2.9Å; D246-R279 VanDerWaalsContact OD2-NE 3.13Å; D246-R279 IonicContact OD2-NH2 3.59Å; D246-R279 PolarHBondContact OD2-NH2 3.21Å
247C92.8Very high83Confident40 Ų4065.1 Ų65.127%0.2736%0.363SS..EExtended strand (participates in β ladder)trans-136.7148.5170.956.60000111.5I244 F249 M276 R277I244-C247 HydrophobicContact CG2-CB 4.08Å; C247-F249 HydrophobicContact CB-CE2 4.32Å; C247-F249 HydrophobicContact CB-CZ 4.19Å; C247-F249 VanDerWaalsContact SG-CE2 3.51Å; C247-M276 HydrophobicContact CB-CE 4.16Å; C247-R277 CarbonylContact C-O 3.56Å; C247-R277 VanDerWaalsContact CA-O 3.23Å; C247-R277 WeakPolarHBondContact CA-O 3.43Å
248T94.4Very high85.3Confident89 Ų8960.7 Ų60.755%0.54633%0.331SS..EExtended strand (participates in β ladder)trans-125.9141.6171.761.50000108.3M276 R277T248-M276 CarbonylContact O-C 3.51Å; T248-M276 VanDerWaalsContact O-CA 3.23Å; T248-M276 WeakPolarHBondContact O-CA 3.28Å; T248-M276 WeakPolarHBondContact O-CB 3.41Å; T248-R277 PolarHBondContact N-O 2.86Å; T248-R277 PolarHBondContact O-N 2.74Å; T248-R277 WeakPolarHBondContact OG1-CB 3.48Å
249F95.6Very high87.2Confident42 Ų4262.4 Ų62.418%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-114.7154.9-176.3-63.9-75.5000111.3C247 V253 L255 F258 I264 M276C247-F249 HydrophobicContact CB-CE2 4.32Å; C247-F249 HydrophobicContact CB-CZ 4.19Å; C247-F249 VanDerWaalsContact SG-CE2 3.51Å; F249-V253 HydrophobicContact CB-CB 3.79Å; F249-V253 HydrophobicContact CB-CG1 4.17Å; F249-V253 HydrophobicContact CB-CG2 3.87Å; F249-V253 HydrophobicContact CD1-CB 4.36Å; F249-V253 HydrophobicContact CD1-CG1 4.09Å; F249-V253 HydrophobicContact CD1-CG2 4.02Å; F249-V253 HydrophobicContact CG-CB 4.18Å; F249-V253 HydrophobicContact CG-CG1 4.02Å; F249-V253 HydrophobicContact CG-CG2 4.24Å; F249-L255 HydrophobicContact CB-CD2 4.16Å; F249-L255 HydrophobicContact CD2-CD2 3.58Å; F249-L255 HydrophobicContact CE2-CD2 4.4Å; F249-L255 HydrophobicContact CG-CD2 4.19Å; F249-F258 AromaticContact CE2-CD1 3.81Å; F249-F258 HydrophobicContact CE2-CD1 3.81Å; F249-F258 HydrophobicContact CE2-CD2 4.35Å; F249-F258 AromaticContact CE2-CE1 3.72Å; F249-F258 HydrophobicContact CE2-CE1 3.72Å; F249-F258 HydrophobicContact CE2-CE2 4.31Å; F249-F258 HydrophobicContact CE2-CG 4.11Å; F249-F258 AromaticContact CE2-CZ 3.99Å; F249-F258 HydrophobicContact CE2-CZ 3.99Å; F249-F258 HydrophobicContact CZ-CD1 4.2Å; F249-F258 AromaticContact CZ-CD2 3.97Å; F249-F258 HydrophobicContact CZ-CD2 3.97Å; F249-F258 AromaticContact CZ-CE1 3.96Å; F249-F258 HydrophobicContact CZ-CE1 3.96Å; F249-F258 AromaticContact CZ-CE2 3.73Å; F249-F258 HydrophobicContact CZ-CE2 3.73Å; F249-F258 HydrophobicContact CZ-CG 4.2Å; F249-F258 AromaticContact CZ-CZ 3.72Å; F249-F258 HydrophobicContact CZ-CZ 3.72Å; F249-I264 HydrophobicContact CE1-CD1 3.53Å; F249-I264 HydrophobicContact CE1-CG1 3.75Å; F249-I264 HydrophobicContact CE1-CG2 4.45Å; F249-I264 HydrophobicContact CZ-CD1 4.07Å; F249-I264 HydrophobicContact CZ-CG1 4.14Å; F249-M276 HydrophobicContact CD1-CB 3.62Å; F249-M276 HydrophobicContact CE1-CB 3.86Å; F249-M276 HydrophobicContact CE1-CE 4Å; F249-M276 HydrophobicContact CE1-SD 3.96Å; F249-M276 HydrophobicContact CZ-CE 4.46Å
250H94.4Very high88.5Confident54 Ų5457.8 Ų57.825%0.2531%0.312CS..  trans-62149.9161.5-166.9-94.2000109.9C252 V253 E274 L275H250-C252 WeakPolarHBondContact ND1-CB 3.36Å; H250-C252 PolarHBondContact ND1-N 2.92Å; H250-C252 PolarHBondContact ND1-SG 2.93Å; H250-C252 PolarHBondContact O-N 3.45Å; H250-V253 WeakPolarHBondContact O-CB 3.32Å; H250-V253 PolarHBondContact O-N 3.24Å; H250-E274 WeakPolarHBondContact CB-O 3.42Å; H250-L275 WeakPolarHBondContact CB-O 3.36Å; H250-L275 PolarHBondContact N-O 2.89Å
251Q92Very high89Confident104 Ų10458.3 Ų58.349%0.48631%0.314SS..THydrogen-bonded Turntrans-57.4-16.6178.363.4177.77.900114.5E125 W161 V253E125-Q251 PolarHBondContact OE1-NE2 3.29Å; W161-Q251 HydrophobicContact CD2-CG 4.35Å; W161-Q251 HydrophobicContact CE3-CG 3.77Å; W161-Q251 HydrophobicContact CZ3-CG 4.11Å; Q251-V253 PolarHBondContact O-N 2.91Å
252C93.9Very high88.9Confident4 Ų460.9 Ų60.93%0.02732%0.32CS..THydrogen-bonded Turntrans-71.7-14.7177.166.50000113.7W161 H250 F266 I267W161-C252 HydrophobicContact CD2-CB 4.09Å; W161-C252 VanDerWaalsContact CE2-CB 3.47Å; W161-C252 HydrophobicContact CG-CB 4.31Å; W161-C252 VanDerWaalsContact CZ2-CA 3.45Å; W161-C252 HydrophobicContact CZ2-CB 3.86Å; W161-C252 VanDerWaalsContact NE1-CB 3.27Å; H250-C252 WeakPolarHBondContact ND1-CB 3.36Å; H250-C252 PolarHBondContact ND1-N 2.92Å; H250-C252 PolarHBondContact ND1-SG 2.93Å; H250-C252 PolarHBondContact O-N 3.45Å; C252-F266 HydrophobicContact CB-CB 4.31Å; C252-F266 WeakPolarHBondContact O-CA 3.42Å; C252-F266 WeakPolarHBondContact O-CB 3.29Å; C252-I267 VanDerWaalsContact CB-O 3.3Å; C252-I267 WeakPolarHBondContact CB-O 3.41Å
253V95.9Very high88.7Confident9 Ų961.3 Ų61.36%0.05532%0.323CS..BIsolated β-bridgetrans-83.4129.1180179.70000110.8F249 H250 Q251 L255 I264 F266 L275F249-V253 HydrophobicContact CB-CB 3.79Å; F249-V253 HydrophobicContact CB-CG1 4.17Å; F249-V253 HydrophobicContact CB-CG2 3.87Å; F249-V253 HydrophobicContact CD1-CB 4.36Å; F249-V253 HydrophobicContact CD1-CG1 4.09Å; F249-V253 HydrophobicContact CD1-CG2 4.02Å; F249-V253 HydrophobicContact CG-CB 4.18Å; F249-V253 HydrophobicContact CG-CG1 4.02Å; F249-V253 HydrophobicContact CG-CG2 4.24Å; H250-V253 WeakPolarHBondContact O-CB 3.32Å; H250-V253 PolarHBondContact O-N 3.24Å; Q251-V253 PolarHBondContact O-N 2.91Å; V253-L255 HydrophobicContact CG1-CD2 4.48Å; V253-L255 PolarHBondContact O-N 2.95Å; V253-I264 HydrophobicContact CG1-CG2 3.92Å; V253-I264 HydrophobicContact CG2-CG2 3.91Å; V253-F266 HydrophobicContact CG2-CB 4.14Å; V253-L275 HydrophobicContact CG2-CD1 3.75Å
254R93.7Very high89.2Confident90 Ų9060.4 Ų60.434%0.3432%0.315SS..  trans-76.990174.9-65.3174.1174162.2-6.7110.1E211 S256 K257 F258 S265E211-R254 IonicContact OE1-NH1 3.79Å; E211-R254 PolarHBondContact OE1-NH1 3.14Å; E211-R254 IonicContact OE2-CZ 3.41Å; E211-R254 IonicContact OE2-NH1 3.77Å; E211-R254 PolarHBondContact OE2-NH1 2.85Å; E211-R254 IonicContact OE2-NH2 3.75Å; R254-S256 VanDerWaalsContact C-N 3.27Å; R254-S256 PolarHBondContact O-N 2.93Å; R254-K257 HydrophobicContact CB-CB 4.37Å; R254-K257 HydrophobicContact CB-CD 4.37Å; R254-K257 HydrophobicContact CB-CG 4.26Å; R254-K257 PolarHBondContact O-N 3.09Å; R254-F258 PolarHBondContact O-N 2.81Å; R254-S265 PolarHBondContact N-O 2.66Å
255L91.7Very high89.4Confident96 Ų9659 Ų5950%0.50331%0.308SS..Hα-helixtrans-56.1-37.9-176.7-63.7-179000113.2F249 V253 K257 F258 D259F249-L255 HydrophobicContact CB-CD2 4.16Å; F249-L255 HydrophobicContact CD2-CD2 3.58Å; F249-L255 HydrophobicContact CE2-CD2 4.4Å; F249-L255 HydrophobicContact CG-CD2 4.19Å; V253-L255 HydrophobicContact CG1-CD2 4.48Å; V253-L255 PolarHBondContact O-N 2.95Å; L255-K257 VanDerWaalsContact C-N 3.27Å; L255-K257 PolarHBondContact O-N 2.89Å; L255-F258 WeakPolarHBondContact O-CA 3.44Å; L255-F258 WeakPolarHBondContact O-CB 3.47Å; L255-F258 PolarHBondContact O-N 2.91Å; L255-D259 PolarHBondContact O-N 2.9Å
256S88.8Confident89.7Confident92 Ų9256.5 Ų56.564%0.64330%0.295SS*.Hα-helixtrans-58.3-36.3176.954.90000113.6R254 S260R254-S256 VanDerWaalsContact C-N 3.27Å; R254-S256 PolarHBondContact O-N 2.93Å; S256-S260 PolarHBondContact O-N 3.04Å; S256-S260 PolarHBondContact O-OG 2.82Å
257K86.2Confident90Very high63 Ų6353.2 Ų53.227%0.27428%0.277SS..Hα-helixtrans-74.7-32.1174.1-66.9-169.2-179.4-174.90112.1E211 R254 L255 S260 E261E211-K257 IonicContact OE1-NZ 2.92Å; R254-K257 HydrophobicContact CB-CB 4.37Å; R254-K257 HydrophobicContact CB-CD 4.37Å; R254-K257 HydrophobicContact CB-CG 4.26Å; R254-K257 PolarHBondContact O-N 3.09Å; L255-K257 VanDerWaalsContact C-N 3.27Å; L255-K257 PolarHBondContact O-N 2.89Å; K257-S260 PolarHBondContact O-OG 2.84Å; K257-E261 WeakPolarHBondContact O-CB 3.36Å; K257-E261 PolarHBondContact O-N 2.85Å
258F87.7Confident90.1Very high9 Ų951.3 Ų51.34%0.03926%0.264CS..Hα-helixtrans-68.2-40.4175.3179.5-102.2000111.4F249 R254 L255 S260 R262 I264F249-F258 AromaticContact CE2-CD1 3.81Å; F249-F258 HydrophobicContact CE2-CD1 3.81Å; F249-F258 HydrophobicContact CE2-CD2 4.35Å; F249-F258 AromaticContact CE2-CE1 3.72Å; F249-F258 HydrophobicContact CE2-CE1 3.72Å; F249-F258 HydrophobicContact CE2-CE2 4.31Å; F249-F258 HydrophobicContact CE2-CG 4.11Å; F249-F258 AromaticContact CE2-CZ 3.99Å; F249-F258 HydrophobicContact CE2-CZ 3.99Å; F249-F258 HydrophobicContact CZ-CD1 4.2Å; F249-F258 AromaticContact CZ-CD2 3.97Å; F249-F258 HydrophobicContact CZ-CD2 3.97Å; F249-F258 AromaticContact CZ-CE1 3.96Å; F249-F258 HydrophobicContact CZ-CE1 3.96Å; F249-F258 AromaticContact CZ-CE2 3.73Å; F249-F258 HydrophobicContact CZ-CE2 3.73Å; F249-F258 HydrophobicContact CZ-CG 4.2Å; F249-F258 AromaticContact CZ-CZ 3.72Å; F249-F258 HydrophobicContact CZ-CZ 3.72Å; R254-F258 PolarHBondContact O-N 2.81Å; L255-F258 WeakPolarHBondContact O-CA 3.44Å; L255-F258 WeakPolarHBondContact O-CB 3.47Å; L255-F258 PolarHBondContact O-N 2.91Å; F258-S260 PolarHBondContact O-N 2.81Å; F258-R262 VanDerWaalsContact CE1-NH1 3.33Å; F258-R262 WeakPolarHBondContact O-CA 3.49Å; F258-R262 PolarHBondContact O-N 2.91Å; F258-I264 HydrophobicContact CD2-CG1 3.76Å; F258-I264 HydrophobicContact CE2-CD1 4.42Å; F258-I264 HydrophobicContact CE2-CG1 4.07Å
259D83.8Confident90.1Very high111 Ų11147.7 Ų47.759%0.59424%0.242SC*.Hα-helixtrans-67.2-39.4-179.5-67.5-25.1000112.3L255L255-D259 PolarHBondContact O-N 2.9Å
260S81.1Confident90Very high75 Ų7548.4 Ų48.452%0.52425%0.248SC..Hα-helixtrans-77.9-52.8179.459.40000113.1S256 K257 F258S256-S260 PolarHBondContact O-N 3.04Å; S256-S260 PolarHBondContact O-OG 2.82Å; K257-S260 PolarHBondContact O-OG 2.84Å; F258-S260 PolarHBondContact O-N 2.81Å
261E77.4Confident89.9Confident123 Ų12346.6 Ų46.658%0.57524%0.243SC*.Hα-helixtrans-104.6-9.2-168.7-64.1171.5-156.600113.4K257 S263K257-E261 WeakPolarHBondContact O-CB 3.36Å; K257-E261 PolarHBondContact O-N 2.85Å; E261-S263 PolarHBondContact O-N 2.79Å
262R78.1Confident90Very high84 Ų8447.6 Ų47.632%0.31725%0.248SC..  trans53.732-168.7-64.2-69.4-174.4174.92.4112.5I220 V221 F258I220-R262 HydrophobicContact CG2-CG 4.39Å; V221-R262 HydrophobicContact CG2-CB 3.41Å; V221-R262 VanDerWaalsContact CG2-CB 3.41Å; V221-R262 HydrophobicContact CG2-CG 4.26Å; F258-R262 VanDerWaalsContact CE1-NH1 3.33Å; F258-R262 WeakPolarHBondContact O-CA 3.49Å; F258-R262 PolarHBondContact O-N 2.91Å
263S80.9Confident90Very high11 Ų1148.4 Ų48.48%0.07725%0.251CS..  trans-110.4125.5-178.3-175.90000110E261 S265E261-S263 PolarHBondContact O-N 2.79Å; S263-S265 PolarHBondContact O-N 2.53Å
264I93.4Very high90Very high2 Ų250.8 Ų50.81%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-88.896.1-179.3-62.9161.6000107.9K213 F214 M216 F249 V253 F258 F266 M276K213-I264 CarbonylContact C-O 3.5Å; K213-I264 VanDerWaalsContact CA-O 3.31Å; K213-I264 WeakPolarHBondContact CA-O 3.32Å; F214-I264 HydrophobicContact CB-CB 4.23Å; F214-I264 HydrophobicContact CB-CG2 4.3Å; F214-I264 HydrophobicContact CD1-CB 4.34Å; F214-I264 HydrophobicContact CD1-CD1 3.64Å; F214-I264 HydrophobicContact CE1-CD1 4.15Å; F214-I264 PolarHBondContact N-O 2.91Å; F214-I264 PolarHBondContact O-N 3.5Å; M216-I264 HydrophobicContact CE-CD1 3.67Å; F249-I264 HydrophobicContact CE1-CD1 3.53Å; F249-I264 HydrophobicContact CE1-CG1 3.75Å; F249-I264 HydrophobicContact CE1-CG2 4.45Å; F249-I264 HydrophobicContact CZ-CD1 4.07Å; F249-I264 HydrophobicContact CZ-CG1 4.14Å; V253-I264 HydrophobicContact CG1-CG2 3.92Å; V253-I264 HydrophobicContact CG2-CG2 3.91Å; F258-I264 HydrophobicContact CD2-CG1 3.76Å; F258-I264 HydrophobicContact CE2-CD1 4.42Å; F258-I264 HydrophobicContact CE2-CG1 4.07Å; I264-F266 HydrophobicContact CG2-CD1 3.87Å; I264-F266 HydrophobicContact CG2-CE1 4.11Å; I264-M276 HydrophobicContact CD1-SD 3.82Å
265S95.4Very high90.2Very high1 Ų146.5 Ų46.51%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-105129.3177.3167.10000110E211 C212 R254 S263E211-S265 PolarHBondContact OE1-OG 2.94Å; C212-S265 WeakPolarHBondContact O-CA 3.29Å; R254-S265 PolarHBondContact N-O 2.66Å; S263-S265 PolarHBondContact O-N 2.53Å
266F96.4Very high90.4Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-157.5159.9-173.360.1-77.7000112.5M202 C212 F214 C252 V253 I264 P268 Y273 L275M202-F266 HydrophobicContact CE-CE2 4.33Å; M202-F266 HydrophobicContact CE-CZ 4.39Å; M202-F266 HydrophobicContact SD-CE2 3.97Å; M202-F266 HydrophobicContact SD-CZ 3.95Å; C212-F266 HydrophobicContact CB-CD1 4.25Å; C212-F266 HydrophobicContact CB-CD2 4.13Å; C212-F266 HydrophobicContact CB-CE1 3.87Å; C212-F266 HydrophobicContact CB-CE2 3.74Å; C212-F266 HydrophobicContact CB-CG 4.38Å; C212-F266 HydrophobicContact CB-CZ 3.6Å; C212-F266 PolarHBondContact N-O 3.01Å; C212-F266 PolarHBondContact O-N 3.09Å; F214-F266 HydrophobicContact CB-CE1 3.82Å; F214-F266 HydrophobicContact CB-CZ 4.46Å; C252-F266 HydrophobicContact CB-CB 4.31Å; C252-F266 WeakPolarHBondContact O-CA 3.42Å; C252-F266 WeakPolarHBondContact O-CB 3.29Å; V253-F266 HydrophobicContact CG2-CB 4.14Å; I264-F266 HydrophobicContact CG2-CD1 3.87Å; I264-F266 HydrophobicContact CG2-CE1 4.11Å; F266-P268 HydrophobicContact CD2-CB 4.13Å; F266-P268 HydrophobicContact CE2-CB 3.96Å; F266-Y273 WeakPolarHBondContact CE2-OH 3.36Å; F266-L275 HydrophobicContact CD1-CD1 4.04Å; F266-L275 HydrophobicContact CD2-CD1 3.8Å; F266-L275 HydrophobicContact CE1-CD1 4.01Å; F266-L275 HydrophobicContact CE1-CD2 3.88Å; F266-L275 HydrophobicContact CE2-CD1 3.75Å; F266-L275 HydrophobicContact CE2-CD2 4.25Å; F266-L275 HydrophobicContact CG-CD1 3.95Å; F266-L275 HydrophobicContact CZ-CD1 3.86Å; F266-L275 HydrophobicContact CZ-CD2 3.63Å; F266-L275 HydrophobicContact CZ-CG 4.42Å
267I96.3Very high90.8Very high18 Ų1843.6 Ų43.69%0.09221%0.213CC..  trans-104.7115.2165.3-67.3168.5000106.8I159 W161 R162 M209 C252I159-I267 HydrophobicContact CD1-CD1 3.43Å; I159-I267 VanDerWaalsContact CD1-CD1 3.43Å; W161-I267 PolarHBondContact NE1-O 2.81Å; R162-I267 HydrophobicContact CB-CG2 4.34Å; M209-I267 HydrophobicContact CE-CG2 4.23Å; C252-I267 VanDerWaalsContact CB-O 3.3Å; C252-I267 WeakPolarHBondContact CB-O 3.41Å
268P95.9Very high91.2Very high0 Ų040.8 Ų40.80%020%0.201CC..PPolyproline II helixtrans-72.2132.3-16929.3-35000112.3R162 L206 P210 F266 Y273R162-P268 WeakPolarHBondContact CD-O 3.42Å; R162-P268 PolarHBondContact NH1-O 3.05Å; L206-P268 HydrophobicContact CD1-CG 3.96Å; P210-P268 HydrophobicContact CG-CG 4.22Å; P210-P268 VanDerWaalsContact O-CD 3.24Å; P210-P268 WeakPolarHBondContact O-CD 3.42Å; F266-P268 HydrophobicContact CD2-CB 4.13Å; F266-P268 HydrophobicContact CE2-CB 3.96Å; P268-Y273 HydrophobicContact CB-CE1 4.16Å; P268-Y273 WeakPolarHBondContact CB-OH 3.49Å
269P94.1Very high91.6Very high13 Ų1345.4 Ų45.48%0.08422%0.218CC..PPolyproline II helixtrans-50.4151.5161.3-22.430.8000111.2W161 S204 Y273W161-P269 HydrophobicContact CB-CG 4.19Å; W161-P269 HydrophobicContact CG-CG 4.2Å; W161-P269 WeakPolarHBondContact O-CA 3.43Å; S204-P269 PolarHBondContact OG-O 3.14Å; P269-Y273 HydrophobicContact CB-CD1 3.87Å; P269-Y273 HydrophobicContact CB-CE1 4.28Å; P269-Y273 HydrophobicContact CB-CG 4.08Å; P269-Y273 HydrophobicContact CG-CD1 4.12Å; P269-Y273 HydrophobicContact CG-CD2 4Å; P269-Y273 HydrophobicContact CG-CE1 4.39Å; P269-Y273 HydrophobicContact CG-CE2 4.27Å; P269-Y273 HydrophobicContact CG-CG 3.93Å; P269-Y273 VanDerWaalsContact O-CE1 3.23Å; P269-Y273 WeakPolarHBondContact O-CE1 3.27Å
270D92.9Very high92.1Very high58 Ų5840.1 Ų40.131%0.3119%0.19SC..SBendtrans-79.8142.3177.9-163.257.2000111.8R162 I166 Y168R162-D270 IonicContact NH1-OD1 3.33Å; I166-D270 HydrophobicContact CD1-CB 3.82Å; Y168-D270 VanDerWaalsContact CE2-OD1 3.29Å; Y168-D270 WeakPolarHBondContact CE2-OD1 3.49Å; Y168-D270 PolarHBondContact OH-OD1 3.37Å; Y168-D270 VanDerWaalsContact OH-OD1 3.09Å; Y168-D270 PolarHBondContact OH-OD2 2.88Å
271G92.9Very high92.7Very high15 Ų1539.4 Ų39.416%0.15518%0.183CC..EExtended strand (participates in β ladder)trans80.6-148.2-176.400000114K203 S204K203-G271 CarbonylContact C-O 3.54Å; K203-G271 VanDerWaalsContact CA-O 3.28Å; K203-G271 WeakPolarHBondContact CA-O 3.35Å; S204-G271 PolarHBondContact N-O 2.79Å; S204-G271 PolarHBondContact O-N 2.89Å
272E93.9Very high93.1Very high125 Ų12539.7 Ų39.758%0.58418%0.182SC*.EExtended strand (participates in β ladder)trans-91.2128.8-175.2-176.9175.4141.100112.3V201 M202 K203V201-E272 HydrophobicContact CG1-CG 3.8Å; M202-E272 CarbonylContact O-C 3.58Å; M202-E272 WeakPolarHBondContact O-CA 3.27Å; K203-E272 HydrophobicContact CD-CB 4.46Å; K203-E272 WeakPolarHBondContact CE-OE2 3.33Å; K203-E272 HydrophobicContact CG-CB 4.03Å; K203-E272 HydrophobicContact CG-CG 4.05Å; K203-E272 IonicContact NZ-OE2 2.68Å; K203-E272 PolarHBondContact NZ-OE2 3.18Å
273Y93.4Very high93.5Very high21 Ų2141.3 Ų41.38%0.08220%0.197CC..EExtended strand (participates in β ladder)trans-153.2159.1175.563.7-81.2000112V201 M202 S204 F266 P268 P269 L275V201-Y273 WeakPolarHBondContact CA-O 3.46Å; M202-Y273 HydrophobicContact CB-CE1 4.06Å; M202-Y273 HydrophobicContact CB-CE2 4.18Å; M202-Y273 HydrophobicContact CG-CE1 4.21Å; M202-Y273 PolarHBondContact N-O 3.3Å; M202-Y273 PolarHBondContact O-N 3.16Å; M202-Y273 PolarHBondContact SD-OH 3.28Å; S204-Y273 WeakPolarHBondContact OG-CE1 3.06Å; F266-Y273 WeakPolarHBondContact CE2-OH 3.36Å; P268-Y273 HydrophobicContact CB-CE1 4.16Å; P268-Y273 WeakPolarHBondContact CB-OH 3.49Å; P269-Y273 HydrophobicContact CB-CD1 3.87Å; P269-Y273 HydrophobicContact CB-CE1 4.28Å; P269-Y273 HydrophobicContact CB-CG 4.08Å; P269-Y273 HydrophobicContact CG-CD1 4.12Å; P269-Y273 HydrophobicContact CG-CD2 4Å; P269-Y273 HydrophobicContact CG-CE1 4.39Å; P269-Y273 HydrophobicContact CG-CE2 4.27Å; P269-Y273 HydrophobicContact CG-CG 3.93Å; P269-Y273 VanDerWaalsContact O-CE1 3.23Å; P269-Y273 WeakPolarHBondContact O-CE1 3.27Å; Y273-L275 HydrophobicContact CE2-CB 4.01Å; Y273-L275 HydrophobicContact CE2-CD1 4.2Å
274E96.2Very high94Very high59 Ų5942.1 Ų42.128%0.27620%0.2SC..EExtended strand (participates in β ladder)trans-87109173-172.5170.2131.100108.7R199 H250 R277R199-E274 HydrophobicContact CB-CG 4.17Å; R199-E274 WeakPolarHBondContact CD-OE2 3.36Å; R199-E274 IonicContact NE-OE2 3.71Å; R199-E274 IonicContact NH1-OE2 3.57Å; R199-E274 PolarHBondContact NH1-OE2 2.8Å; H250-E274 WeakPolarHBondContact CB-O 3.42Å; E274-R277 IonicContact OE1-CZ 2.88Å; E274-R277 IonicContact OE1-NE 3.01Å; E274-R277 PolarHBondContact OE1-NE 2.8Å; E274-R277 VanDerWaalsContact OE1-NE 3.1Å; E274-R277 IonicContact OE1-NH2 2.69Å; E274-R277 PolarHBondContact OE1-NH2 2.86Å; E274-R277 IonicContact OE2-NH2 3.13Å
275L96.8Very high94Very high0 Ų044.9 Ų44.90%021%0.214CC..EExtended strand (participates in β ladder)trans-72.2-44-179.3173.663.7000111.5V200 M202 F214 H250 V253 F266 Y273V200-L275 PolarHBondContact O-N 2.67Å; M202-L275 HydrophobicContact SD-CD2 4.48Å; F214-L275 HydrophobicContact CB-CD2 4.45Å; F214-L275 HydrophobicContact CG-CD2 4.42Å; H250-L275 WeakPolarHBondContact CB-O 3.36Å; H250-L275 PolarHBondContact N-O 2.89Å; V253-L275 HydrophobicContact CG2-CD1 3.75Å; F266-L275 HydrophobicContact CD1-CD1 4.04Å; F266-L275 HydrophobicContact CD2-CD1 3.8Å; F266-L275 HydrophobicContact CE1-CD1 4.01Å; F266-L275 HydrophobicContact CE1-CD2 3.88Å; F266-L275 HydrophobicContact CE2-CD1 3.75Å; F266-L275 HydrophobicContact CE2-CD2 4.25Å; F266-L275 HydrophobicContact CG-CD1 3.95Å; F266-L275 HydrophobicContact CZ-CD1 3.86Å; F266-L275 HydrophobicContact CZ-CD2 3.63Å; F266-L275 HydrophobicContact CZ-CG 4.42Å; Y273-L275 HydrophobicContact CE2-CB 4.01Å; Y273-L275 HydrophobicContact CE2-CD1 4.2Å
276M96.4Very high93.9Very high1 Ų146.5 Ų46.51%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-15415517966.2176.8-70.500111.9R199 V200 F214 M216 C247 T248 F249 I264 Y278R199-M276 CarbonylContact C-O 3.53Å; R199-M276 VanDerWaalsContact CA-O 3.29Å; R199-M276 WeakPolarHBondContact CA-O 3.48Å; V200-M276 HydrophobicContact CB-CG 3.77Å; V200-M276 HydrophobicContact CG2-CG 3.6Å; V200-M276 HydrophobicContact CG2-SD 4.07Å; V200-M276 PolarHBondContact N-O 3.19Å; F214-M276 HydrophobicContact CE1-SD 4Å; M216-M276 HydrophobicContact CE-CE 4.01Å; M216-M276 HydrophobicContact CE-SD 4.41Å; M216-M276 HydrophobicContact SD-CE 4.14Å; M216-M276 HydrophobicContact SD-SD 4.29Å; C247-M276 HydrophobicContact CB-CE 4.16Å; T248-M276 CarbonylContact O-C 3.51Å; T248-M276 VanDerWaalsContact O-CA 3.23Å; T248-M276 WeakPolarHBondContact O-CA 3.28Å; T248-M276 WeakPolarHBondContact O-CB 3.41Å; F249-M276 HydrophobicContact CD1-CB 3.62Å; F249-M276 HydrophobicContact CE1-CB 3.86Å; F249-M276 HydrophobicContact CE1-CE 4Å; F249-M276 HydrophobicContact CE1-SD 3.96Å; F249-M276 HydrophobicContact CZ-CE 4.46Å; I264-M276 HydrophobicContact CD1-SD 3.82Å; M276-Y278 HydrophobicContact CE-CD1 3.92Å; M276-Y278 HydrophobicContact CE-CG 4.33Å
277R97.1Very high93.9Very high126 Ų12646.5 Ų46.548%0.47522%0.223SC..EExtended strand (participates in β ladder)trans-120.6146.7166.4-177.5178.9-73.3-159.5-5.2108.4G198 C247 T248 E274G198-R277 CarbonylContact O-C 3.53Å; G198-R277 WeakPolarHBondContact O-CA 3.27Å; G198-R277 VanDerWaalsContact O-CG 3.32Å; G198-R277 WeakPolarHBondContact O-CG 3.4Å; C247-R277 CarbonylContact C-O 3.56Å; C247-R277 VanDerWaalsContact CA-O 3.23Å; C247-R277 WeakPolarHBondContact CA-O 3.43Å; T248-R277 PolarHBondContact N-O 2.86Å; T248-R277 PolarHBondContact O-N 2.74Å; T248-R277 WeakPolarHBondContact OG1-CB 3.48Å; E274-R277 IonicContact OE1-CZ 2.88Å; E274-R277 IonicContact OE1-NE 3.01Å; E274-R277 PolarHBondContact OE1-NE 2.8Å; E274-R277 VanDerWaalsContact OE1-NE 3.1Å; E274-R277 IonicContact OE1-NH2 2.69Å; E274-R277 PolarHBondContact OE1-NH2 2.86Å; E274-R277 IonicContact OE2-NH2 3.13Å
278Y95.5Very high93.9Very high5 Ų545.8 Ų45.82%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-145.4158.2-18059.4-84.1000111V177 E179 G198 V200 I242 D246 M276 L400V177-Y278 VanDerWaalsContact CG1-OH 3.27Å; V177-Y278 WeakPolarHBondContact CG1-OH 3.38Å; E179-Y278 WeakPolarHBondContact CG-OH 3.25Å; E179-Y278 WeakPolarHBondContact OE1-CE2 3.34Å; E179-Y278 PolarHBondContact OE1-OH 3.28Å; G198-Y278 VanDerWaalsContact C-CE1 3.48Å; G198-Y278 PolarHBondContact N-O 2.82Å; G198-Y278 PolarHBondContact O-N 2.9Å; G198-Y278 VanDerWaalsContact O-O 3.11Å; V200-Y278 HydrophobicContact CG2-CE1 4.03Å; I242-Y278 HydrophobicContact CD1-CD2 4.34Å; I242-Y278 HydrophobicContact CD1-CE2 4.12Å; D246-Y278 CarbonylContact O-C 3.55Å; D246-Y278 VanDerWaalsContact O-CA 3.26Å; D246-Y278 WeakPolarHBondContact O-CA 3.12Å; M276-Y278 HydrophobicContact CE-CD1 3.92Å; M276-Y278 HydrophobicContact CE-CG 4.33Å; Y278-L400 HydrophobicContact CD1-CD1 4.44Å; Y278-L400 HydrophobicContact CD2-CD1 4.45Å; Y278-L400 HydrophobicContact CE1-CD1 3.87Å; Y278-L400 HydrophobicContact CE2-CD1 3.87Å
279R95.8Very high93.8Very high106 Ų10651.5 Ų51.540%0.424%0.24SC..EExtended strand (participates in β ladder)trans-129.8139.6175.8-172.6178.268.9121.10.2109.6V196 D245 D246V196-R279 WeakPolarHBondContact O-CA 3.17Å; D245-R279 WeakPolarHBondContact CB-O 3.13Å; D245-R279 PolarHBondContact N-O 2.83Å; D246-R279 PolarHBondContact N-O 3.49Å; D246-R279 PolarHBondContact O-N 2.75Å; D246-R279 IonicContact OD2-CZ 2.65Å; D246-R279 IonicContact OD2-NE 3.29Å; D246-R279 PolarHBondContact OD2-NE 2.9Å; D246-R279 VanDerWaalsContact OD2-NE 3.13Å; D246-R279 IonicContact OD2-NH2 3.59Å; D246-R279 PolarHBondContact OD2-NH2 3.21Å
280T94.5Very high93.9Very high0 Ų051 Ų510%024%0.237CC..EExtended strand (participates in β ladder)trans-137.3135175.6-70.40000109.5H195 V196 A243 D245 K282 I284H195-T280 CarbonylContact C-O 3.58Å; H195-T280 WeakPolarHBondContact CA-O 3.45Å; V196-T280 PolarHBondContact N-O 2.81Å; V196-T280 PolarHBondContact O-N 2.68Å; A243-T280 WeakPolarHBondContact O-CB 3.33Å; A243-T280 WeakPolarHBondContact O-CG2 3.2Å; A243-T280 PolarHBondContact O-OG1 2.64Å; D245-T280 WeakPolarHBondContact OD2-CA 3.06Å; T280-K282 WeakPolarHBondContact CG2-O 3.32Å; T280-I284 HydrophobicContact CG2-CG1 4.28Å; T280-I284 WeakPolarHBondContact O-CD1 3.4Å
281T93.4Very high93.9Very high60 Ų6050.5 Ų50.537%0.36823%0.234SC..  trans-112.7-12.2177.855.50000112.5H195 D245H195-T281 HydrophobicContact CB-CG2 3.82Å; D245-T281 PolarHBondContact OD1-OG1 2.91Å; D245-T281 WeakPolarHBondContact OD2-CB 3Å; D245-T281 WeakPolarHBondContact OD2-CG2 2.94Å; D245-T281 PolarHBondContact OD2-N 3.48Å; D245-T281 PolarHBondContact OD2-OG1 2.9Å
282K86.8Confident94Very high129 Ų12950.2 Ų50.256%0.56123%0.23SC*.SBendtrans-110.9152-175.1-62.1179.6-176.3173.90111.8T280 I284T280-K282 WeakPolarHBondContact CG2-O 3.32Å; K282-I284 PolarHBondContact O-N 2.82Å; K282-I284 VanDerWaalsContact O-N 3.09Å
283D86.5Confident93.9Very high117 Ų11749 Ų4963%0.62623%0.226SC*.SBendtrans55.229.6172.3-54.3-38.3000114.8
284I91.2Very high93.9Very high29 Ų2949.6 Ų49.615%0.14923%0.232CC..  trans-77.2134-179.1-59.4160.9000110.4A194 H195 V196 T280 K282 L286A194-I284 HydrophobicContact CB-CD1 4.34Å; H195-I284 VanDerWaalsContact CA-CD1 3.48Å; V196-I284 HydrophobicContact CG2-CB 4.34Å; V196-I284 HydrophobicContact CG2-CD1 4.09Å; V196-I284 HydrophobicContact CG2-CG1 3.92Å; V196-I284 HydrophobicContact CG2-CG2 3.49Å; V196-I284 VanDerWaalsContact CG2-CG2 3.49Å; T280-I284 HydrophobicContact CG2-CG1 4.28Å; T280-I284 WeakPolarHBondContact O-CD1 3.4Å; K282-I284 PolarHBondContact O-N 2.82Å; K282-I284 VanDerWaalsContact O-N 3.09Å; I284-L286 HydrophobicContact CG2-CD2 4.16Å; I284-L286 PolarHBondContact O-N 2.84Å
285I92.3Very high93.6Very high59 Ų5954.1 Ų54.130%0.30325%0.247SC..  trans-85.3108.3170.7-56.4169.5000108.8P287 F395 P397I285-P287 VanDerWaalsContact O-CD 3.23Å; I285-P287 WeakPolarHBondContact O-CD 3.35Å; I285-F395 HydrophobicContact CB-CE2 4.28Å; I285-F395 HydrophobicContact CG2-CE2 4.01Å; I285-F395 HydrophobicContact CG2-CZ 4.31Å; I285-P397 WeakPolarHBondContact CB-O 3.44Å; I285-P397 PolarHBondContact N-O 3.38Å
286L94.6Very high93.3Very high36 Ų3658.7 Ų58.719%0.18827%0.268CS..  trans-77.3113.8174.1-61.9-178.6000110.3V181 L183 V191 A194 I284 F288V181-L286 HydrophobicContact CG1-CD2 4.11Å; L183-L286 HydrophobicContact CD1-CD1 3.8Å; L183-L286 HydrophobicContact CD1-CD2 3.9Å; L183-L286 HydrophobicContact CD2-CD1 4.42Å; V191-L286 HydrophobicContact CG2-CD1 3.64Å; A194-L286 HydrophobicContact CB-CD2 4.32Å; I284-L286 HydrophobicContact CG2-CD2 4.16Å; I284-L286 PolarHBondContact O-N 2.84Å; L286-F288 VanDerWaalsContact C-N 3.29Å; L286-F288 PolarHBondContact O-N 2.85Å
287P95.5Very high93Very high0 Ų061.3 Ų61.30%028%0.284CS..SBendtrans-70.3-25.4-172.5-20.534.5000113.7I285 S310 N311 F312 F391 V393 F395 P397I285-P287 VanDerWaalsContact O-CD 3.23Å; I285-P287 WeakPolarHBondContact O-CD 3.35Å; P287-S310 WeakPolarHBondContact O-CA 3.29Å; P287-N311 PolarHBondContact O-N 2.77Å; P287-F312 HydrophobicContact CB-CD1 4.08Å; P287-F312 HydrophobicContact CB-CE1 4.46Å; P287-F312 VanDerWaalsContact O-CD1 3.3Å; P287-F312 WeakPolarHBondContact O-CD1 3.28Å; P287-F391 HydrophobicContact CB-CE2 4.08Å; P287-F391 HydrophobicContact CB-CZ 4.27Å; P287-F391 HydrophobicContact CG-CE2 3.79Å; P287-F391 HydrophobicContact CG-CZ 3.95Å; P287-V393 HydrophobicContact CB-CG1 4.09Å; P287-V393 HydrophobicContact CG-CG2 4.24Å; P287-F395 HydrophobicContact CB-CZ 4.08Å; P287-F395 HydrophobicContact CG-CZ 3.9Å; P287-P397 HydrophobicContact CG-CG 4.32Å
288F96.1Very high92.4Very high2 Ų258.6 Ų58.61%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-138.2142.2-177.5-67.1-80.9000112.6L286 K309 F312 A318 I321 M359 M389 F391 V393 Y432L286-F288 VanDerWaalsContact C-N 3.29Å; L286-F288 PolarHBondContact O-N 2.85Å; F288-K309 CarbonylContact C-O 3.53Å; F288-K309 VanDerWaalsContact CA-O 3.28Å; F288-K309 WeakPolarHBondContact CA-O 3.24Å; F288-F312 HydrophobicContact CE1-CE1 4.16Å; F288-F312 HydrophobicContact CE2-CE1 4.26Å; F288-F312 AromaticContact CZ-CE1 3.91Å; F288-F312 HydrophobicContact CZ-CE1 3.91Å; F288-F312 HydrophobicContact CZ-CZ 4.38Å; F288-A318 HydrophobicContact CE2-CB 4.08Å; F288-A318 HydrophobicContact CZ-CB 3.51Å; F288-I321 HydrophobicContact CE1-CD1 4.33Å; F288-I321 HydrophobicContact CZ-CD1 3.9Å; F288-I321 HydrophobicContact CZ-CG1 4.26Å; F288-M359 HydrophobicContact CE1-SD 3.84Å; F288-M389 HydrophobicContact CB-CE 3.95Å; F288-M389 HydrophobicContact CB-SD 3.67Å; F288-M389 HydrophobicContact CD1-CE 3.5Å; F288-M389 VanDerWaalsContact CD1-CE 3.5Å; F288-M389 HydrophobicContact CD1-SD 4.36Å; F288-M389 HydrophobicContact CD2-CE 3.63Å; F288-M389 HydrophobicContact CD2-SD 4.13Å; F288-M389 HydrophobicContact CE1-CE 3.76Å; F288-M389 HydrophobicContact CE2-CE 3.92Å; F288-M389 HydrophobicContact CG-CE 3.4Å; F288-M389 VanDerWaalsContact CG-CE 3.4Å; F288-M389 HydrophobicContact CG-SD 3.82Å; F288-M389 HydrophobicContact CZ-CE 3.95Å; F288-F391 HydrophobicContact CD2-CB 4.31Å; F288-F391 AromaticContact CD2-CD1 3.57Å; F288-F391 HydrophobicContact CD2-CD1 3.57Å; F288-F391 HydrophobicContact CD2-CD2 4.14Å; F288-F391 AromaticContact CD2-CE1 3.82Å; F288-F391 HydrophobicContact CD2-CE1 3.82Å; F288-F391 HydrophobicContact CD2-CE2 4.37Å; F288-F391 AromaticContact CD2-CG 3.74Å; F288-F391 HydrophobicContact CD2-CG 3.74Å; F288-F391 HydrophobicContact CD2-CZ 4.21Å; F288-F391 HydrophobicContact CE2-CB 3.7Å; F288-F391 AromaticContact CE2-CD1 3.86Å; F288-F391 HydrophobicContact CE2-CD1 3.86Å; F288-F391 AromaticContact CE2-CD2 3.86Å; F288-F391 HydrophobicContact CE2-CD2 3.86Å; F288-F391 HydrophobicContact CE2-CE1 4.45Å; F288-F391 HydrophobicContact CE2-CE2 4.47Å; F288-F391 AromaticContact CE2-CG 3.52Å; F288-F391 HydrophobicContact CE2-CG 3.52Å; F288-F391 HydrophobicContact CZ-CB 4.49Å; F288-V393 HydrophobicContact CE2-CG1 4.25Å; F288-Y432 HydrophobicContact CB-CE1 4.41Å; F288-Y432 PolarHBondContact N-OH 2.98Å; F288-Y432 PolarHBondContact O-OH 3.31Å
289R94.5Very high91.9Very high120 Ų12069 Ų6945%0.45333%0.334SS..EExtended strand (participates in β ladder)trans-110.3122165.4-170.2173.5-179.2166.8-1.1108.8M185 G189 I291 I308 K309M185-R289 HydrophobicContact CE-CG 4.2Å; M185-R289 HydrophobicContact SD-CG 4.35Å; G189-R289 PolarHBondContact O-NH2 3.4Å; R289-I291 HydrophobicContact CG-CG1 4.17Å; R289-I308 WeakPolarHBondContact O-CA 3.04Å; R289-K309 HydrophobicContact CB-CB 4.46Å; R289-K309 PolarHBondContact N-O 2.84Å; R289-K309 PolarHBondContact O-N 2.88Å
290V94.9Very high91.6Very high2 Ų267.6 Ų67.61%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-101.3123.6176.1-174.80000108.3M185 P292 V306 V307 I308 I387 M389M185-V290 WeakPolarHBondContact CE-O 3.3Å; V290-P292 WeakPolarHBondContact O-CD 3.43Å; V290-V306 HydrophobicContact CG1-CG1 3.71Å; V290-V307 CarbonylContact C-O 3.59Å; V290-I308 HydrophobicContact CG1-CG2 4.31Å; V290-I308 HydrophobicContact CG2-CG2 4.14Å; V290-I387 HydrophobicContact CG1-CG2 4.15Å; V290-M389 HydrophobicContact CG2-CB 4.42Å; V290-M389 HydrophobicContact CG2-SD 3.79Å
291I93.9Very high91.5Very high48 Ų4870 Ų7025%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-11798.2-178.5-55.4172.3000107.1R289 V307 K309R289-I291 HydrophobicContact CG-CG1 4.17Å; I291-V307 HydrophobicContact CB-CB 4.3Å; I291-V307 PolarHBondContact N-O 2.79Å; I291-V307 PolarHBondContact O-N 2.65Å; I291-K309 HydrophobicContact CD1-CD 4.31Å
292P94Very high91.5Very high10 Ų1067.3 Ų67.37%0.06533%0.331CS..EExtended strand (participates in β ladder)trans-80.8136.8174.330.7-31.4000111.1V290 I387 T434 R435 C436V290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-I387 HydrophobicContact CB-CD1 3.69Å; P292-T434 HydrophobicContact CG-CG2 3.85Å; P292-R435 WeakPolarHBondContact CG-O 3.38Å; P292-C436 HydrophobicContact CB-CB 3.86Å; P292-C436 HydrophobicContact CG-CB 4.08Å
293L92.9Very high91.9Very high99 Ų9963 Ų6352%0.51831%0.313SS..EExtended strand (participates in β ladder)trans-126.7111169.7-65.4169.4000107.1V304 K305L293-V304 WeakPolarHBondContact O-CA 3.08Å; L293-K305 HydrophobicContact CB-CB 4.22Å; L293-K305 HydrophobicContact CD1-CD 4.35Å; L293-K305 PolarHBondContact N-O 2.88Å; L293-K305 PolarHBondContact O-N 2.48Å
294V92Very high92.3Very high33 Ų3357.8 Ų57.820%0.229%0.285CS..EExtended strand (participates in β ladder)trans-118.8122-177.7-179.10000108.8L302 E303 V304 C436V294-L302 HydrophobicContact CG1-CD1 3.57Å; V294-L302 HydrophobicContact CG1-CD2 4.41Å; V294-L302 HydrophobicContact CG1-CG 4.17Å; V294-E303 WeakPolarHBondContact CA-O 3.45Å; V294-V304 HydrophobicContact CG1-CG2 4.35Å; V294-V304 HydrophobicContact CG2-CG1 4.32Å; V294-V304 HydrophobicContact CG2-CG2 4.34Å; V294-C436 HydrophobicContact CG2-CB 3.96Å
295R91.6Very high92.6Very high155 Ų15560.1 Ų60.159%0.58530%0.295SS*.EExtended strand (participates in β ladder)trans-122.7122.6179.4-177.8170.875.5168.37.6109.8V297 E303R295-V297 HydrophobicContact CG-CG2 4.26Å; R295-E303 HydrophobicContact CB-CB 4.42Å; R295-E303 IonicContact CZ-OE2 3.24Å; R295-E303 PolarHBondContact N-O 3.14Å; R295-E303 IonicContact NE-OE2 2.88Å; R295-E303 PolarHBondContact NE-OE2 3.19Å; R295-E303 IonicContact NH2-OE1 3.11Å; R295-E303 IonicContact NH2-OE2 2.61Å; R295-E303 PolarHBondContact NH2-OE2 2.82Å; R295-E303 PolarHBondContact O-N 3.4Å
296E89.4Confident92.7Very high96 Ų9657.3 Ų57.345%0.44928%0.28SS..EExtended strand (participates in β ladder)trans-84.2128.3170.1-75.8169.1-153.800109.1L302 R384E296-L302 HydrophobicContact CB-CD1 4.41Å; E296-L302 HydrophobicContact CG-CD1 3.43Å; E296-L302 VanDerWaalsContact CG-CD1 3.43Å; E296-R384 IonicContact OE1-CZ 3.7Å; E296-R384 IonicContact OE1-NE 2.72Å; E296-R384 IonicContact OE1-NH2 3.71Å; E296-R384 PolarHBondContact OE1-NH2 3.41Å
297V90.1Very high92.8Very high56 Ų5656.1 Ų56.134%0.33928%0.275SS..EExtended strand (participates in β ladder)trans-114.998.7177.8-178.30000107.6R295 K301 E303R295-V297 HydrophobicContact CG-CG2 4.26Å; V297-K301 HydrophobicContact CB-CB 4.17Å; V297-K301 HydrophobicContact CB-CD 4.44Å; V297-K301 PolarHBondContact N-O 2.89Å; V297-K301 PolarHBondContact O-N 2.68Å; V297-E303 HydrophobicContact CG2-CG 4.16Å
298G85.9Confident92.8Very high68 Ų6856.1 Ų56.170%0.70128%0.275SS*.THydrogen-bonded Turntrans65.1-138.2-173.400000112.2
299R84.9Confident92.8Very high223 Ų22359.9 Ų59.984%0.84229%0.291SS*.THydrogen-bonded Turntrans-112.5-5.2178.6-66.5-172.3178175.81.7114.2
300T89.6Confident92.9Very high78 Ų7854.4 Ų54.448%0.47927%0.271SS..THydrogen-bonded Turntrans-118.3-5.5-168.853.30000113.1E372 L373 P375T300-E372 WeakPolarHBondContact O-CA 3.46Å; T300-L373 PolarHBondContact O-N 3.01Å; T300-P375 HydrophobicContact CG2-CG 4.07Å
301K92.4Very high92.9Very high51 Ų5158.6 Ų58.622%0.22229%0.293CS..EExtended strand (participates in β ladder)trans-140.6137.9-177.4-169.3-175.6-174-159.10111.6V297 E303 E370 I371V297-K301 HydrophobicContact CB-CB 4.17Å; V297-K301 HydrophobicContact CB-CD 4.44Å; V297-K301 PolarHBondContact N-O 2.89Å; V297-K301 PolarHBondContact O-N 2.68Å; K301-E303 HydrophobicContact CD-CG 4.45Å; K301-E303 IonicContact NZ-OE1 3.71Å; K301-E303 PolarHBondContact NZ-OE1 3.45Å; K301-E370 WeakPolarHBondContact CE-OE2 3.35Å; K301-E370 IonicContact NZ-OE1 2.82Å; K301-E370 PolarHBondContact NZ-OE1 3.2Å; K301-E370 IonicContact NZ-OE2 2.96Å; K301-E370 PolarHBondContact NZ-OE2 2.69Å; K301-I371 CarbonylContact C-O 3.5Å; K301-I371 WeakPolarHBondContact CA-O 3.11Å
302L93.2Very high93Very high2 Ų257 Ų571%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-125.8125.7173.2-176.476.1000108.7V294 E296 V304 P328 I371 L373 W382V294-L302 HydrophobicContact CG1-CD1 3.57Å; V294-L302 HydrophobicContact CG1-CD2 4.41Å; V294-L302 HydrophobicContact CG1-CG 4.17Å; E296-L302 HydrophobicContact CB-CD1 4.41Å; E296-L302 HydrophobicContact CG-CD1 3.43Å; E296-L302 VanDerWaalsContact CG-CD1 3.43Å; L302-V304 HydrophobicContact CD2-CG2 4.04Å; L302-V304 HydrophobicContact CG-CG2 4.07Å; L302-P328 HydrophobicContact CD2-CG 3.98Å; L302-I371 HydrophobicContact CB-CB 4.2Å; L302-I371 HydrophobicContact CD2-CD1 4.12Å; L302-I371 PolarHBondContact N-O 2.91Å; L302-I371 PolarHBondContact O-N 2.77Å; L302-L373 HydrophobicContact CB-CD1 4.16Å; L302-W382 HydrophobicContact CD2-CE3 4.32Å; L302-W382 HydrophobicContact CD2-CH2 4.49Å; L302-W382 HydrophobicContact CD2-CZ3 3.72Å
303E95.2Very high93Very high38 Ų3863.7 Ų63.718%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-106.9126.6176.9-67.6175177.900109.5V294 R295 V297 K301 E370V294-E303 WeakPolarHBondContact CA-O 3.45Å; R295-E303 HydrophobicContact CB-CB 4.42Å; R295-E303 IonicContact CZ-OE2 3.24Å; R295-E303 PolarHBondContact N-O 3.14Å; R295-E303 IonicContact NE-OE2 2.88Å; R295-E303 PolarHBondContact NE-OE2 3.19Å; R295-E303 IonicContact NH2-OE1 3.11Å; R295-E303 IonicContact NH2-OE2 2.61Å; R295-E303 PolarHBondContact NH2-OE2 2.82Å; R295-E303 PolarHBondContact O-N 3.4Å; V297-E303 HydrophobicContact CG2-CG 4.16Å; K301-E303 HydrophobicContact CD-CG 4.45Å; K301-E303 IonicContact NZ-OE1 3.71Å; K301-E303 PolarHBondContact NZ-OE1 3.45Å; E303-E370 HydrophobicContact CG-CG 4.43Å
304V95.1Very high93.2Very high8 Ų863.2 Ų63.25%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-124.7121.7-175.9-1790000108.8L293 V294 L302 V306 I325 S368 A369 I371L293-V304 WeakPolarHBondContact O-CA 3.08Å; V294-V304 HydrophobicContact CG1-CG2 4.35Å; V294-V304 HydrophobicContact CG2-CG1 4.32Å; V294-V304 HydrophobicContact CG2-CG2 4.34Å; L302-V304 HydrophobicContact CD2-CG2 4.04Å; L302-V304 HydrophobicContact CG-CG2 4.07Å; V304-V306 HydrophobicContact CG1-CG2 3.89Å; V304-I325 HydrophobicContact CG1-CG2 3.84Å; V304-S368 CarbonylContact O-C 3.58Å; V304-S368 WeakPolarHBondContact O-CA 3.47Å; V304-A369 PolarHBondContact N-O 3.29Å; V304-A369 PolarHBondContact O-N 2.74Å; V304-I371 HydrophobicContact CG2-CD1 3.81Å
305K95.7Very high93.4Very high79 Ų7966.5 Ų66.534%0.34334%0.34SS..EExtended strand (participates in β ladder)trans-118126.2169.7179175.2175.3174.80108.9L293 I367L293-K305 HydrophobicContact CB-CB 4.22Å; L293-K305 HydrophobicContact CD1-CD 4.35Å; L293-K305 PolarHBondContact N-O 2.88Å; L293-K305 PolarHBondContact O-N 2.48Å; K305-I367 WeakPolarHBondContact CA-O 3.29Å
306V95.8Very high93.6Very high0 Ų061.2 Ų61.20%032%0.323CS..EExtended strand (participates in β ladder)trans-122122.6178.3-177.10000108.7V290 V304 I308 I325 Q366 I367 I387V290-V306 HydrophobicContact CG1-CG1 3.71Å; V304-V306 HydrophobicContact CG1-CG2 3.89Å; V306-I308 HydrophobicContact CG1-CG2 4.4Å; V306-I325 HydrophobicContact CB-CD1 4.12Å; V306-I325 HydrophobicContact CG2-CD1 3.66Å; V306-I325 HydrophobicContact CG2-CG1 4.07Å; V306-I325 HydrophobicContact CG2-CG2 4.37Å; V306-Q366 VanDerWaalsContact O-CA 3.3Å; V306-Q366 WeakPolarHBondContact O-CA 3.34Å; V306-I367 HydrophobicContact CB-CG2 3.78Å; V306-I367 PolarHBondContact N-O 2.89Å; V306-I367 PolarHBondContact O-N 2.65Å; V306-I387 HydrophobicContact CG1-CD1 4.28Å; V306-I387 HydrophobicContact CG2-CD1 3.52Å
307V95.6Very high94Very high11 Ų1160.3 Ų60.37%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-108.2126.8175.4179.20000108.4V290 I291 K309 E364 Q366V290-V307 CarbonylContact C-O 3.59Å; I291-V307 HydrophobicContact CB-CB 4.3Å; I291-V307 PolarHBondContact N-O 2.79Å; I291-V307 PolarHBondContact O-N 2.65Å; V307-K309 HydrophobicContact CG1-CG 4.18Å; V307-E364 HydrophobicContact CG1-CG 3.68Å; V307-E364 WeakPolarHBondContact CG1-OE1 3.38Å; V307-Q366 HydrophobicContact CG2-CB 4.07Å
308I95.8Very high94.3Very high0 Ų057.7 Ų57.70%031%0.305CS..EExtended strand (participates in β ladder)trans-110.2131.5171.463.5173.8000109.8R289 V290 V306 V323 W354 I356 M359 E364 S365 M389R289-I308 WeakPolarHBondContact O-CA 3.04Å; V290-I308 HydrophobicContact CG1-CG2 4.31Å; V290-I308 HydrophobicContact CG2-CG2 4.14Å; V306-I308 HydrophobicContact CG1-CG2 4.4Å; I308-V323 HydrophobicContact CD1-CG2 4.39Å; I308-V323 HydrophobicContact CG2-CG2 4.14Å; I308-W354 HydrophobicContact CB-CZ3 4.47Å; I308-W354 HydrophobicContact CD1-CE3 4.43Å; I308-W354 HydrophobicContact CD1-CH2 3.69Å; I308-W354 HydrophobicContact CD1-CZ2 4.48Å; I308-W354 HydrophobicContact CD1-CZ3 3.66Å; I308-W354 HydrophobicContact CG1-CH2 3.7Å; I308-W354 HydrophobicContact CG1-CZ3 3.74Å; I308-W354 HydrophobicContact CG2-CZ3 3.97Å; I308-I356 HydrophobicContact CD1-CD1 3.52Å; I308-M359 HydrophobicContact CD1-CE 3.73Å; I308-M359 HydrophobicContact CD1-SD 4.31Å; I308-M359 HydrophobicContact CG1-CE 4.07Å; I308-E364 WeakPolarHBondContact O-CA 3.23Å; I308-S365 WeakPolarHBondContact CG1-O 3.48Å; I308-S365 PolarHBondContact N-O 3.21Å; I308-S365 PolarHBondContact O-N 2.84Å; I308-M389 HydrophobicContact CD1-CE 4.32Å
309K96Very high94.9Very high80 Ų8059.2 Ų59.235%0.34829%0.294SS..EExtended strand (participates in β ladder)trans-118.9123.9176.1-55.4-168.8-174.4-130.90109.1F288 R289 I291 V307 K363 E364F288-K309 CarbonylContact C-O 3.53Å; F288-K309 VanDerWaalsContact CA-O 3.28Å; F288-K309 WeakPolarHBondContact CA-O 3.24Å; R289-K309 HydrophobicContact CB-CB 4.46Å; R289-K309 PolarHBondContact N-O 2.84Å; R289-K309 PolarHBondContact O-N 2.88Å; I291-K309 HydrophobicContact CD1-CD 4.31Å; V307-K309 HydrophobicContact CG1-CG 4.18Å; K309-K363 WeakPolarHBondContact CA-O 3.38Å; K309-E364 VanDerWaalsContact CE-OE2 3.22Å; K309-E364 WeakPolarHBondContact CE-OE2 3.32Å; K309-E364 HydrophobicContact CG-CB 4.49Å; K309-E364 HydrophobicContact CG-CG 4.05Å; K309-E364 IonicContact NZ-OE1 2.88Å; K309-E364 PolarHBondContact NZ-OE1 2.75Å; K309-E364 IonicContact NZ-OE2 3.45Å; K309-E364 PolarHBondContact NZ-OE2 2.81Å
310S96.9Very high95.4Very high5 Ų555.3 Ų55.34%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-82.1131.5172.555.10000110.6P287 F312 A360 M362 K363P287-S310 WeakPolarHBondContact O-CA 3.29Å; S310-F312 VanDerWaalsContact CB-CE1 3.48Å; S310-A360 PolarHBondContact OG-O 2.83Å; S310-M362 VanDerWaalsContact O-CA 3.25Å; S310-M362 WeakPolarHBondContact O-CA 3.37Å; S310-M362 PolarHBondContact O-N 2.81Å; S310-M362 VanDerWaalsContact O-N 3.09Å; S310-M362 PolarHBondContact OG-N 3.01Å; S310-K363 PolarHBondContact N-O 3.06Å; S310-K363 PolarHBondContact OG-N 2.81Å; S310-K363 PolarHBondContact OG-O 3.12Å; S310-K363 VanDerWaalsContact OG-O 3.11Å
311N94.6Very high95.8Very high90 Ų9051.7 Ų51.748%0.48126%0.26SS..  trans-123.966.5-175.8-173.246.9000111P287P287-N311 PolarHBondContact O-N 2.77Å
312F95.6Very high96.1Very high16 Ų1651.7 Ų51.77%0.0726%0.261CS..SBendtrans-153.9174.1175.954-95.1000109.3P287 F288 S310 L316 A318 G361 M362 V393 F395P287-F312 HydrophobicContact CB-CD1 4.08Å; P287-F312 HydrophobicContact CB-CE1 4.46Å; P287-F312 VanDerWaalsContact O-CD1 3.3Å; P287-F312 WeakPolarHBondContact O-CD1 3.28Å; F288-F312 HydrophobicContact CE1-CE1 4.16Å; F288-F312 HydrophobicContact CE2-CE1 4.26Å; F288-F312 AromaticContact CZ-CE1 3.91Å; F288-F312 HydrophobicContact CZ-CE1 3.91Å; F288-F312 HydrophobicContact CZ-CZ 4.38Å; S310-F312 VanDerWaalsContact CB-CE1 3.48Å; F312-L316 HydrophobicContact CD2-CB 3.93Å; F312-L316 HydrophobicContact CE2-CB 4.14Å; F312-L316 WeakPolarHBondContact CE2-O 3.5Å; F312-A318 HydrophobicContact CE1-CB 4.18Å; F312-A318 HydrophobicContact CZ-CB 3.63Å; F312-G361 VanDerWaalsContact CD2-CA 3.45Å; F312-G361 CarbonylContact O-C 3.55Å; F312-G361 VanDerWaalsContact O-CA 3.24Å; F312-G361 WeakPolarHBondContact O-CA 3.39Å; F312-M362 WeakPolarHBondContact O-CG 3.47Å; F312-M362 PolarHBondContact O-N 3.45Å; F312-V393 HydrophobicContact CE1-CG1 4.33Å; F312-F395 HydrophobicContact CB-CE1 3.75Å; F312-F395 HydrophobicContact CB-CZ 3.89Å; F312-F395 HydrophobicContact CD1-CE1 4.27Å; F312-F395 HydrophobicContact CD2-CE1 4.46Å; F312-F395 AromaticContact CG-CE1 3.93Å; F312-F395 HydrophobicContact CG-CE1 3.93Å; F312-F395 HydrophobicContact CG-CZ 4.42Å
313K95.7Very high96.3Very high150 Ų15051.6 Ų51.665%0.65226%0.261SS*.  trans-51.9131.8-175.1-69.4-176.3177.2-1780112.1S315 L316K313-S315 PolarHBondContact O-N 2.92Å; K313-S315 VanDerWaalsContact O-N 3.15Å; K313-L316 HydrophobicContact CB-CD1 4.16Å; K313-L316 HydrophobicContact CB-CG 4.09Å; K313-L316 PolarHBondContact O-N 3.36Å
314P96.2Very high96.4Very high88 Ų8853.5 Ų53.557%0.57127%0.266SS*.THydrogen-bonded Turntrans-58.3-28-178.8-26.533.8000115.3L316 M362P314-L316 VanDerWaalsContact C-N 3.27Å; P314-L316 PolarHBondContact O-N 2.94Å; P314-M362 HydrophobicContact CG-CB 4.12Å; P314-M362 HydrophobicContact CG-CG 3.85Å
315S96.1Very high96.5Very high102 Ų10253.3 Ų53.371%0.71327%0.265SS*.THydrogen-bonded Turntrans-71.2-19.5177.8560000113.8K313K313-S315 PolarHBondContact O-N 2.92Å; K313-S315 VanDerWaalsContact O-N 3.15Å
316L96.3Very high96.6Very high45 Ų4550.2 Ų50.224%0.23625%0.253CS..  trans-86.8147.4178.3-57.2179.8000110.2F312 K313 P314 A360 G361 P394 F395F312-L316 HydrophobicContact CD2-CB 3.93Å; F312-L316 HydrophobicContact CE2-CB 4.14Å; F312-L316 WeakPolarHBondContact CE2-O 3.5Å; K313-L316 HydrophobicContact CB-CD1 4.16Å; K313-L316 HydrophobicContact CB-CG 4.09Å; K313-L316 PolarHBondContact O-N 3.36Å; P314-L316 VanDerWaalsContact C-N 3.27Å; P314-L316 PolarHBondContact O-N 2.94Å; L316-A360 WeakPolarHBondContact O-CA 2.87Å; L316-G361 PolarHBondContact O-N 3.31Å; L316-P394 HydrophobicContact CB-CG 4.23Å; L316-P394 HydrophobicContact CD2-CG 4.22Å; L316-F395 HydrophobicContact CD1-CB 4.29Å; L316-F395 HydrophobicContact CD1-CD1 3.95Å; L316-F395 HydrophobicContact CD1-CG 4.41Å
317L97.3Very high96.5Very high77 Ų7750.4 Ų50.440%0.40325%0.254SS..EExtended strand (participates in β ladder)trans-117.8117177.7-61.8179.3000109.3A360 P394L317-A360 HydrophobicContact CD2-CB 3.69Å; L317-P394 WeakPolarHBondContact O-CD 3.44Å
318A97.5Very high96.3Very high0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-73.4147.2165.300000110.2F288 F312 I321 R358 M359 E392 V393F288-A318 HydrophobicContact CE2-CB 4.08Å; F288-A318 HydrophobicContact CZ-CB 3.51Å; F312-A318 HydrophobicContact CE1-CB 4.18Å; F312-A318 HydrophobicContact CZ-CB 3.63Å; A318-I321 HydrophobicContact CB-CD1 3.93Å; A318-I321 HydrophobicContact CB-CG1 4.33Å; A318-R358 CarbonylContact O-C 3.44Å; A318-R358 WeakPolarHBondContact O-CA 3.3Å; A318-M359 PolarHBondContact N-O 3.08Å; A318-M359 PolarHBondContact O-N 3.12Å; A318-E392 CarbonylContact C-O 3.53Å; A318-E392 VanDerWaalsContact CA-O 3.28Å; A318-E392 WeakPolarHBondContact CA-O 3.44Å; A318-V393 HydrophobicContact CB-CG1 3.79Å
319Q97.4Very high96Very high101 Ų10157 Ų5747%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-131.5169.7-177.8-57.4-172.815.700111.1I321 E392Q319-I321 PolarHBondContact O-N 2.78Å; Q319-I321 VanDerWaalsContact O-N 3.17Å; Q319-E392 PolarHBondContact N-O 3.41Å; Q319-E392 PolarHBondContact O-N 3.39Å
320K96Very high95.8Very high140 Ų14055 Ų5561%0.60928%0.281SS*.EExtended strand (participates in β ladder)trans50.542.4176.9-58.8178.1-171.8156.60112.5E322 E392K320-E322 PolarHBondContact O-N 2.92Å; K320-E392 IonicContact NZ-OE2 2.71Å; K320-E392 PolarHBondContact NZ-OE2 2.81Å
321I98.1Very high95.6Very high2 Ų255.6 Ų55.61%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-80.8122.7-176.7-56166000108.5F288 A318 Q319 K355 I356 M359 M389 N390 F391F288-I321 HydrophobicContact CE1-CD1 4.33Å; F288-I321 HydrophobicContact CZ-CD1 3.9Å; F288-I321 HydrophobicContact CZ-CG1 4.26Å; A318-I321 HydrophobicContact CB-CD1 3.93Å; A318-I321 HydrophobicContact CB-CG1 4.33Å; Q319-I321 PolarHBondContact O-N 2.78Å; Q319-I321 VanDerWaalsContact O-N 3.17Å; I321-K355 CarbonylContact O-C 3.59Å; I321-K355 WeakPolarHBondContact O-CA 3.42Å; I321-I356 HydrophobicContact CB-CB 4.11Å; I321-I356 WeakPolarHBondContact CB-O 3.23Å; I321-I356 HydrophobicContact CG2-CB 4.39Å; I321-I356 PolarHBondContact N-O 3.41Å; I321-I356 PolarHBondContact O-N 2.91Å; I321-M359 HydrophobicContact CD1-CB 3.38Å; I321-M389 HydrophobicContact CG2-CE 3.43Å; I321-M389 VanDerWaalsContact CG2-CE 3.43Å; I321-N390 CarbonylContact C-O 3.53Å; I321-N390 VanDerWaalsContact CA-O 3.27Å; I321-N390 WeakPolarHBondContact CA-O 3.45Å; I321-F391 HydrophobicContact CG1-CB 4.25Å
322E97.9Very high95.5Very high51 Ų5154.5 Ų54.524%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-138111.9178.7178.2164.1176.200109.5K320 V353 W354 K355 M389 N390K320-E322 PolarHBondContact O-N 2.92Å; E322-V353 HydrophobicContact CG-CG1 3.83Å; E322-V353 WeakPolarHBondContact OE1-CG1 3.04Å; E322-W354 CarbonylContact C-O 3.55Å; E322-W354 WeakPolarHBondContact CA-O 3.33Å; E322-K355 HydrophobicContact CB-CG 4.47Å; E322-K355 HydrophobicContact CG-CG 4.19Å; E322-K355 WeakPolarHBondContact OE1-CE 3.3Å; E322-K355 IonicContact OE1-NZ 2.69Å; E322-K355 PolarHBondContact OE1-NZ 2.8Å; E322-K355 WeakPolarHBondContact OE2-CE 3.28Å; E322-K355 IonicContact OE2-NZ 2.76Å; E322-K355 PolarHBondContact OE2-NZ 2.82Å; E322-M389 CarbonylContact O-C 3.59Å; E322-M389 WeakPolarHBondContact O-CA 3.28Å; E322-N390 HydrophobicContact CB-CB 4.31Å; E322-N390 PolarHBondContact N-O 3.25Å; E322-N390 PolarHBondContact O-N 2.92Å
323V97.9Very high95.4Very high0 Ų054.6 Ų54.60%029%0.29CS..EExtended strand (participates in β ladder)trans-98.9125.9175.3-172.90000108I308 I325 W354 I387 S388 M389I308-V323 HydrophobicContact CD1-CG2 4.39Å; I308-V323 HydrophobicContact CG2-CG2 4.14Å; V323-I325 HydrophobicContact CG1-CG1 4.07Å; V323-W354 HydrophobicContact CB-CB 4.32Å; V323-W354 HydrophobicContact CB-CE3 4.01Å; V323-W354 HydrophobicContact CG2-CE3 3.85Å; V323-W354 HydrophobicContact CG2-CZ3 4.38Å; V323-W354 PolarHBondContact N-O 3.22Å; V323-W354 PolarHBondContact O-N 2.98Å; V323-I387 HydrophobicContact CG1-CG2 3.65Å; V323-S388 WeakPolarHBondContact CA-O 3.27Å; V323-M389 HydrophobicContact CG2-CE 4.4Å; V323-M389 HydrophobicContact CG2-CG 4.07Å; V323-M389 HydrophobicContact CG2-SD 4.46Å
324R97.8Very high95.5Very high78 Ų7849.1 Ų49.129%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-106117.8175.7-178.9-169.3-177.281.22.9108.8E349 A351 I387 S388R324-E349 IonicContact CZ-OE2 3.1Å; R324-E349 IonicContact NH1-OE2 3.79Å; R324-E349 PolarHBondContact NH1-OE2 3.41Å; R324-E349 PolarHBondContact NH2-O 3.24Å; R324-E349 IonicContact NH2-OE2 3.49Å; R324-A351 HydrophobicContact CG-CB 3.91Å; R324-I387 WeakPolarHBondContact O-CA 3.43Å; R324-I387 VanDerWaalsContact O-CG2 3.31Å; R324-I387 WeakPolarHBondContact O-CG2 3.44Å; R324-S388 WeakPolarHBondContact CB-OG 3.41Å; R324-S388 PolarHBondContact N-O 3.3Å; R324-S388 PolarHBondContact O-N 2.78Å; R324-S388 VanDerWaalsContact O-N 3.1Å
325I97.1Very high95.4Very high4 Ų451.1 Ų51.12%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-111.2106.4-179.3-53.2167.7000107.2V304 V306 V323 A351 I352 I367 I387V304-I325 HydrophobicContact CG1-CG2 3.84Å; V306-I325 HydrophobicContact CB-CD1 4.12Å; V306-I325 HydrophobicContact CG2-CD1 3.66Å; V306-I325 HydrophobicContact CG2-CG1 4.07Å; V306-I325 HydrophobicContact CG2-CG2 4.37Å; V323-I325 HydrophobicContact CG1-CG1 4.07Å; I325-A351 CarbonylContact O-C 3.5Å; I325-A351 VanDerWaalsContact O-CA 3.26Å; I325-A351 WeakPolarHBondContact O-CA 3.48Å; I325-I352 HydrophobicContact CB-CB 4.24Å; I325-I352 PolarHBondContact N-O 3.43Å; I325-I352 PolarHBondContact O-N 2.99Å; I325-I367 HydrophobicContact CD1-CD1 4.35Å; I325-I367 HydrophobicContact CD1-CG2 3.81Å; I325-I387 HydrophobicContact CG1-CD1 4.36Å; I325-I387 HydrophobicContact CG1-CG2 4.25Å; I325-I387 HydrophobicContact CG2-CD1 4.14Å
326P96.1Very high95.4Very high14 Ų1448.6 Ų48.69%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-61.1145.4178.6-25.437.2000112.1W382 P385 P386P326-W382 HydrophobicContact CB-CZ2 4.34Å; P326-W382 WeakPolarHBondContact O-CH2 3.26Å; P326-P385 HydrophobicContact CB-CB 3.99Å; P326-P385 HydrophobicContact CB-CG 3.9Å; P326-P385 HydrophobicContact CG-CB 3.87Å; P326-P385 HydrophobicContact CG-CG 4.36Å; P326-P385 WeakPolarHBondContact CG-O 3.48Å; P326-P386 WeakPolarHBondContact CG-O 3.49Å
327T94.5Very high95.4Very high5 Ų551.9 Ų51.93%0.03127%0.268CS..  trans-118.7156.3172.266.20000109.8Y345 N350 I352 I371T327-Y345 HydrophobicContact CG2-CD2 4.39Å; T327-Y345 HydrophobicContact CG2-CE2 4.23Å; T327-Y345 WeakPolarHBondContact OG1-CE2 3.49Å; T327-N350 PolarHBondContact N-O 2.85Å; T327-N350 PolarHBondContact OG1-O 3.44Å; T327-I352 HydrophobicContact CG2-CD1 4.2Å; T327-I352 HydrophobicContact CG2-CG1 3.9Å; T327-I371 HydrophobicContact CG2-CD1 3.7Å; T327-I371 HydrophobicContact CG2-CG1 4.4Å
328P92.6Very high95.2Very high3 Ų350 Ų502%0.01926%0.261CS..  trans-58.7156.5173.2-26.337000113.2L302 N330 T331 L373 W382L302-P328 HydrophobicContact CD2-CG 3.98Å; P328-N330 VanDerWaalsContact C-N 3.28Å; P328-N330 WeakPolarHBondContact CB-OD1 3.33Å; P328-N330 PolarHBondContact O-N 3.29Å; P328-T331 WeakPolarHBondContact O-CB 3.46Å; P328-T331 PolarHBondContact O-N 3.39Å; P328-T331 PolarHBondContact O-OG1 2.98Å; P328-L373 HydrophobicContact CB-CD2 3.77Å; P328-L373 HydrophobicContact CG-CD1 4.48Å; P328-L373 HydrophobicContact CG-CD2 3.65Å; P328-W382 HydrophobicContact CB-CD2 4.22Å; P328-W382 HydrophobicContact CB-CG 4.45Å; P328-W382 HydrophobicContact CG-CD2 3.74Å; P328-W382 HydrophobicContact CG-CE3 3.66Å; P328-W382 HydrophobicContact CG-CG 4.37Å; P328-W382 HydrophobicContact CG-CH2 4.05Å; P328-W382 HydrophobicContact CG-CZ2 4.09Å; P328-W382 HydrophobicContact CG-CZ3 3.83Å
329L89.5Confident94.5Very high145 Ų14557.9 Ų57.976%0.75930%0.299SS*.THydrogen-bonded Turntrans-69.8-26.1178.2-65178000112.9T331 N350L329-T331 VanDerWaalsContact C-N 3.25Å; L329-T331 PolarHBondContact O-N 3.21Å; L329-N350 HydrophobicContact CD2-CB 4.25Å; L329-N350 VanDerWaalsContact CD2-ND2 3.31Å; L329-N350 WeakPolarHBondContact CD2-ND2 3.41Å
330N90.7Very high94.2Very high38 Ų3856.5 Ų56.520%0.20329%0.292CS..THydrogen-bonded Turntrans-89.222.2178.564.1-31.5000112.8P328 S332 L373 L374 T376P328-N330 VanDerWaalsContact C-N 3.28Å; P328-N330 WeakPolarHBondContact CB-OD1 3.33Å; P328-N330 PolarHBondContact O-N 3.29Å; N330-S332 PolarHBondContact O-N 3.1Å; N330-L373 WeakPolarHBondContact O-CA 3.5Å; N330-L374 HydrophobicContact CB-CB 4.45Å; N330-L374 PolarHBondContact ND2-O 3.49Å; N330-L374 PolarHBondContact O-N 2.77Å; N330-T376 HydrophobicContact CB-CG2 3.88Å
331T93.4Very high94.1Very high19 Ų1952 Ų5212%0.11729%0.285CS..EExtended strand (participates in β ladder)trans-67119.5176.7-700000111.3P328 L329 V334 Y345 I371 E372P328-T331 WeakPolarHBondContact O-CB 3.46Å; P328-T331 PolarHBondContact O-N 3.39Å; P328-T331 PolarHBondContact O-OG1 2.98Å; L329-T331 VanDerWaalsContact C-N 3.25Å; L329-T331 PolarHBondContact O-N 3.21Å; T331-V334 HydrophobicContact CG2-CG2 3.51Å; T331-Y345 HydrophobicContact CG2-CE1 4.29Å; T331-Y345 HydrophobicContact CG2-CE2 4.35Å; T331-I371 HydrophobicContact CG2-CG2 3.72Å; T331-I371 WeakPolarHBondContact OG1-CG2 3.5Å; T331-E372 WeakPolarHBondContact CA-O 3.18Å
332S92.5Very high94Very high67 Ų6759.5 Ų59.547%0.46932%0.318SS..EExtended strand (participates in β ladder)trans-91.6-36173.750.50000112.9N330 E372N330-S332 PolarHBondContact O-N 3.1Å; S332-E372 PolarHBondContact N-O 3.47Å; S332-E372 VanDerWaalsContact OG-CB 3.29Å; S332-E372 WeakPolarHBondContact OG-CB 3.31Å; S332-E372 PolarHBondContact OG-O 2.76Å
333G93.2Very high94Very high18 Ų1858.3 Ų58.319%0.18632%0.316CS..EExtended strand (participates in β ladder)trans-150.9149.7-172.900000112I371 E372G333-I371 WeakPolarHBondContact O-CA 3.23Å; G333-E372 PolarHBondContact O-N 2.86Å
334V96.6Very high93.9Very high34 Ų3465 Ų6521%0.20635%0.346CS..EExtended strand (participates in β ladder)trans-138.5117.7176.5-172.90000110.2T331 V336 Y345 I352 E370 I371T331-V334 HydrophobicContact CG2-CG2 3.51Å; V334-V336 HydrophobicContact CG1-CG2 3.64Å; V334-Y345 HydrophobicContact CB-CD1 4.31Å; V334-Y345 HydrophobicContact CB-CG 4.05Å; V334-Y345 HydrophobicContact CG2-CD1 3.79Å; V334-Y345 HydrophobicContact CG2-CD2 3.76Å; V334-Y345 HydrophobicContact CG2-CE1 4.09Å; V334-Y345 HydrophobicContact CG2-CE2 4.08Å; V334-Y345 HydrophobicContact CG2-CG 3.61Å; V334-I352 HydrophobicContact CG1-CD1 3.66Å; V334-I352 HydrophobicContact CG1-CG1 3.97Å; V334-E370 CarbonylContact C-O 3.6Å; V334-E370 WeakPolarHBondContact CA-O 3.41Å; V334-I371 HydrophobicContact CG1-CG1 4.22Å; V334-I371 HydrophobicContact CG2-CG1 4.36Å; V334-I371 HydrophobicContact CG2-CG2 4.44Å
335Q96Very high93.9Very high130 Ų13064.1 Ų64.161%0.60734%0.343SS*.EExtended strand (participates in β ladder)trans-98.8127170.1-67-89.3-19.600108.2A369 E370Q335-A369 CarbonylContact O-C 3.54Å; Q335-A369 WeakPolarHBondContact O-CA 3.45Å; Q335-E370 HydrophobicContact CB-CB 4.23Å; Q335-E370 PolarHBondContact N-O 2.81Å; Q335-E370 PolarHBondContact O-N 2.88Å
336V95.7Very high93.8Very high49 Ų4966.9 Ų66.930%0.29735%0.354SS..EExtended strand (participates in β ladder)trans-125128.4-176.8-176.80000111.3V334 C338 A343 I352 I367 A369V334-V336 HydrophobicContact CG1-CG2 3.64Å; V336-C338 HydrophobicContact CG1-CB 4.31Å; V336-A343 HydrophobicContact CG1-CB 3.62Å; V336-I352 HydrophobicContact CG2-CD1 4.31Å; V336-I352 HydrophobicContact CG2-CG2 4.37Å; V336-I367 HydrophobicContact CG1-CD1 3.64Å; V336-I367 HydrophobicContact CG1-CG1 3.83Å; V336-A369 HydrophobicContact CG2-CB 4.24Å
337I94.8Very high93.6Very high115 Ų11569.1 Ų69.159%0.5937%0.374SS*.EExtended strand (participates in β ladder)trans-108.3111.1172.3-55.6174000108.1S368I337-S368 PolarHBondContact N-O 3.14Å; I337-S368 PolarHBondContact O-N 3.43Å
338C93.1Very high93.5Very high38 Ų3874.3 Ų74.326%0.25741%0.411SS..EExtended strand (participates in β ladder)trans-132.3110.6-176.2172.10000110.3V336 K340 A343 W354 I367V336-C338 HydrophobicContact CG1-CB 4.31Å; C338-K340 PolarHBondContact SG-O 2.91Å; C338-A343 HydrophobicContact CB-CB 3.92Å; C338-W354 PolarHBondContact SG-NE1 2.9Å; C338-I367 HydrophobicContact CB-CG1 4.42Å
339M84.8Confident93.5Very high164 Ų16477.2 Ų77.281%0.80842%0.424SS*.SBendtrans-82.7-24.5-179.1-63.1-60.7-71.700113.4
340K90.6Very high93.7Very high73 Ų7372.7 Ų72.732%0.31740%0.401SS..SBendtrans-137.3127.6-176.6-170.2-171.8-172.5174.60111.1C338 W354 I356 M359 S365C338-K340 PolarHBondContact SG-O 2.91Å; K340-W354 PolarHBondContact O-NE1 3.41Å; K340-I356 HydrophobicContact CD-CG2 4.43Å; K340-M359 HydrophobicContact CD-CE 4.37Å; K340-S365 WeakPolarHBondContact CD-OG 3.41Å
341G93.8Very high94Very high46 Ų4670.9 Ų70.947%0.47439%0.391SS..SBendtrans83.7-163.5-175.900000111.7K355G341-K355 CarbonylContact C-O 3.53Å; G341-K355 VanDerWaalsContact CA-O 3.25Å; G341-K355 WeakPolarHBondContact CA-O 3.26Å
342K96.4Very high94.2Very high159 Ų15970 Ų7069%0.69139%0.386SS*.EExtended strand (participates in β ladder)trans-125.5124.5-178.5-174.9174.9-176.6173.10109.2K355K342-K355 PolarHBondContact N-O 3.44Å; K342-K355 PolarHBondContact O-N 2.79Å
343A97Very high94.5Very high25 Ų2567 Ų6721%0.20737%0.365CS..EExtended strand (participates in β ladder)trans-111.5138.6174.700000110.2V336 C338 I352 V353 W354 I367V336-A343 HydrophobicContact CG1-CB 3.62Å; C338-A343 HydrophobicContact CB-CB 3.92Å; A343-I352 HydrophobicContact CB-CG2 4.44Å; A343-V353 WeakPolarHBondContact CA-O 3.32Å; A343-W354 HydrophobicContact CB-CB 4.28Å; A343-W354 HydrophobicContact CB-CG 4.39Å; A343-I367 HydrophobicContact CB-CD1 3.46Å; A343-I367 VanDerWaalsContact CB-CD1 3.46Å
344K96.1Very high94.7Very high142 Ų14266.2 Ų66.262%0.61736%0.356SS*.EExtended strand (participates in β ladder)trans-143.4134.7177.2-178174.6178.9-179.70110V353K344-V353 PolarHBondContact N-O 3.48Å; K344-V353 PolarHBondContact O-N 2.81Å
345Y96.8Very high94.8Very high58 Ų5869 Ų6923%0.22737%0.366CS..EExtended strand (participates in β ladder)trans-73.5132.1166.9175.3-125.1000110.6T327 T331 V334 A347 I352T327-Y345 HydrophobicContact CG2-CD2 4.39Å; T327-Y345 HydrophobicContact CG2-CE2 4.23Å; T327-Y345 WeakPolarHBondContact OG1-CE2 3.49Å; T331-Y345 HydrophobicContact CG2-CE1 4.29Å; T331-Y345 HydrophobicContact CG2-CE2 4.35Å; V334-Y345 HydrophobicContact CB-CD1 4.31Å; V334-Y345 HydrophobicContact CB-CG 4.05Å; V334-Y345 HydrophobicContact CG2-CD1 3.79Å; V334-Y345 HydrophobicContact CG2-CD2 3.76Å; V334-Y345 HydrophobicContact CG2-CE1 4.09Å; V334-Y345 HydrophobicContact CG2-CE2 4.08Å; V334-Y345 HydrophobicContact CG2-CG 3.61Å; Y345-A347 HydrophobicContact CE1-CB 3.96Å; Y345-I352 HydrophobicContact CD2-CG1 4.38Å
346K95.6Very high94.8Very high62 Ų6263.1 Ų63.127%0.2734%0.338SS..EExtended strand (participates in β ladder)trans-118.3102.2175.3-68.7-170.3179.8178.50109.9S348 E349 N350 A351 V353K346-S348 PolarHBondContact O-N 2.96Å; K346-E349 HydrophobicContact CB-CB 4.02Å; K346-E349 VanDerWaalsContact CD-CD 3.43Å; K346-E349 HydrophobicContact CD-CG 4.37Å; K346-E349 WeakPolarHBondContact CD-OE1 3.49Å; K346-E349 WeakPolarHBondContact CD-OE2 3.25Å; K346-E349 IonicContact NZ-OE1 2.74Å; K346-E349 PolarHBondContact NZ-OE1 2.98Å; K346-E349 IonicContact NZ-OE2 3.2Å; K346-E349 PolarHBondContact NZ-OE2 2.52Å; K346-E349 CarbonylContact O-C 3.51Å; K346-E349 PolarHBondContact O-N 3.22Å; K346-E349 VanDerWaalsContact O-N 3.12Å; K346-N350 PolarHBondContact O-N 2.76Å; K346-N350 VanDerWaalsContact O-N 3.08Å; K346-A351 PolarHBondContact N-O 3.45Å; K346-A351 PolarHBondContact O-N 2.85Å; K346-V353 HydrophobicContact CD-CG2 3.72Å; K346-V353 HydrophobicContact CG-CG2 4.12Å
347A92Very high94.8Very high62 Ų6269.7 Ų69.751%0.51236%0.363SS..G310 helixtrans-60.3-41.9-177.500000113.4Y345 E349 N350Y345-A347 HydrophobicContact CE1-CB 3.96Å; A347-E349 PolarHBondContact O-N 3.18Å; A347-N350 PolarHBondContact O-N 2.91Å; A347-N350 VanDerWaalsContact O-N 3.12Å; A347-N350 PolarHBondContact O-OD1 3.32Å
348S92.8Very high94.9Very high113 Ų11372.1 Ų72.179%0.7936%0.364SS*.G310 helixtrans-61.1-19.8177.758.40000114.1K346K346-S348 PolarHBondContact O-N 2.96Å
349E92.5Very high95.1Very high65 Ų6570.4 Ų70.430%0.30435%0.352SS..G310 helixtrans-109.5-6-176.9-76.5179.8-139.100112.2R324 K346 A347 A351R324-E349 IonicContact CZ-OE2 3.1Å; R324-E349 IonicContact NH1-OE2 3.79Å; R324-E349 PolarHBondContact NH1-OE2 3.41Å; R324-E349 PolarHBondContact NH2-O 3.24Å; R324-E349 IonicContact NH2-OE2 3.49Å; K346-E349 HydrophobicContact CB-CB 4.02Å; K346-E349 VanDerWaalsContact CD-CD 3.43Å; K346-E349 HydrophobicContact CD-CG 4.37Å; K346-E349 WeakPolarHBondContact CD-OE1 3.49Å; K346-E349 WeakPolarHBondContact CD-OE2 3.25Å; K346-E349 IonicContact NZ-OE1 2.74Å; K346-E349 PolarHBondContact NZ-OE1 2.98Å; K346-E349 IonicContact NZ-OE2 3.2Å; K346-E349 PolarHBondContact NZ-OE2 2.52Å; K346-E349 CarbonylContact O-C 3.51Å; K346-E349 PolarHBondContact O-N 3.22Å; K346-E349 VanDerWaalsContact O-N 3.12Å; A347-E349 PolarHBondContact O-N 3.18Å; E349-A351 HydrophobicContact CB-CB 4.46Å; E349-A351 PolarHBondContact O-N 3.33Å
350N93.9Very high95.7Very high50 Ų5063.7 Ų63.727%0.26732%0.323SS..THydrogen-bonded Turntrans43.951.6-170.6-58.7-71.1000111.6T327 L329 K346 A347T327-N350 PolarHBondContact N-O 2.85Å; T327-N350 PolarHBondContact OG1-O 3.44Å; L329-N350 HydrophobicContact CD2-CB 4.25Å; L329-N350 VanDerWaalsContact CD2-ND2 3.31Å; L329-N350 WeakPolarHBondContact CD2-ND2 3.41Å; K346-N350 PolarHBondContact O-N 2.76Å; K346-N350 VanDerWaalsContact O-N 3.08Å; A347-N350 PolarHBondContact O-N 2.91Å; A347-N350 VanDerWaalsContact O-N 3.12Å; A347-N350 PolarHBondContact O-OD1 3.32Å
351A96.6Very high96Very high0 Ų060.2 Ų60.20%031%0.308CS..EExtended strand (participates in β ladder)trans-152.9147.3-175.600000113R324 I325 K346 E349R324-A351 HydrophobicContact CG-CB 3.91Å; I325-A351 CarbonylContact O-C 3.5Å; I325-A351 VanDerWaalsContact O-CA 3.26Å; I325-A351 WeakPolarHBondContact O-CA 3.48Å; K346-A351 PolarHBondContact N-O 3.45Å; K346-A351 PolarHBondContact O-N 2.85Å; E349-A351 HydrophobicContact CB-CB 4.46Å; E349-A351 PolarHBondContact O-N 3.33Å
352I97.6Very high96.1Very high0 Ų063.7 Ų63.70%031%0.313CS..EExtended strand (participates in β ladder)trans-86.5124.9162.5-58165.8000107.6I325 T327 V334 V336 A343 Y345 I367 A369 I371I325-I352 HydrophobicContact CB-CB 4.24Å; I325-I352 PolarHBondContact N-O 3.43Å; I325-I352 PolarHBondContact O-N 2.99Å; T327-I352 HydrophobicContact CG2-CD1 4.2Å; T327-I352 HydrophobicContact CG2-CG1 3.9Å; V334-I352 HydrophobicContact CG1-CD1 3.66Å; V334-I352 HydrophobicContact CG1-CG1 3.97Å; V336-I352 HydrophobicContact CG2-CD1 4.31Å; V336-I352 HydrophobicContact CG2-CG2 4.37Å; A343-I352 HydrophobicContact CB-CG2 4.44Å; Y345-I352 HydrophobicContact CD2-CG1 4.38Å; I352-I367 HydrophobicContact CG2-CD1 4.1Å; I352-A369 HydrophobicContact CD1-CB 3.46Å; I352-A369 VanDerWaalsContact CD1-CB 3.46Å; I352-I371 HydrophobicContact CD1-CD1 4.3Å; I352-I371 HydrophobicContact CD1-CG1 4.43Å
353V97.8Very high96.1Very high5 Ų561.7 Ų61.73%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-107.1113177.4-178.90000108.8E322 A343 K344 K346 K355E322-V353 HydrophobicContact CG-CG1 3.83Å; E322-V353 WeakPolarHBondContact OE1-CG1 3.04Å; A343-V353 WeakPolarHBondContact CA-O 3.32Å; K344-V353 PolarHBondContact N-O 3.48Å; K344-V353 PolarHBondContact O-N 2.81Å; K346-V353 HydrophobicContact CD-CG2 3.72Å; K346-V353 HydrophobicContact CG-CG2 4.12Å; V353-K355 HydrophobicContact CG1-CD 4.48Å; V353-K355 HydrophobicContact CG1-CG 4.03Å
354W98.2Very high96.1Very high0 Ų065.2 Ų65.20%032%0.317CS..EExtended strand (participates in β ladder)trans-107.2111.8-179.9178.735.3000110.9I308 E322 V323 C338 K340 A343 I356 I367I308-W354 HydrophobicContact CB-CZ3 4.47Å; I308-W354 HydrophobicContact CD1-CE3 4.43Å; I308-W354 HydrophobicContact CD1-CH2 3.69Å; I308-W354 HydrophobicContact CD1-CZ2 4.48Å; I308-W354 HydrophobicContact CD1-CZ3 3.66Å; I308-W354 HydrophobicContact CG1-CH2 3.7Å; I308-W354 HydrophobicContact CG1-CZ3 3.74Å; I308-W354 HydrophobicContact CG2-CZ3 3.97Å; E322-W354 CarbonylContact C-O 3.55Å; E322-W354 WeakPolarHBondContact CA-O 3.33Å; V323-W354 HydrophobicContact CB-CB 4.32Å; V323-W354 HydrophobicContact CB-CE3 4.01Å; V323-W354 HydrophobicContact CG2-CE3 3.85Å; V323-W354 HydrophobicContact CG2-CZ3 4.38Å; V323-W354 PolarHBondContact N-O 3.22Å; V323-W354 PolarHBondContact O-N 2.98Å; C338-W354 PolarHBondContact SG-NE1 2.9Å; K340-W354 PolarHBondContact O-NE1 3.41Å; A343-W354 HydrophobicContact CB-CB 4.28Å; A343-W354 HydrophobicContact CB-CG 4.39Å; W354-I356 HydrophobicContact CD2-CD1 4.34Å; W354-I356 HydrophobicContact CD2-CG1 4.46Å; W354-I356 HydrophobicContact CH2-CD1 3.94Å; W354-I356 HydrophobicContact CZ2-CD1 3.48Å; W354-I356 VanDerWaalsContact CZ2-CD1 3.48Å; W354-I356 HydrophobicContact CZ2-CG1 4.13Å; W354-I367 HydrophobicContact CB-CD1 3.98Å; W354-I367 HydrophobicContact CD2-CB 4.14Å; W354-I367 HydrophobicContact CD2-CD1 4.33Å; W354-I367 HydrophobicContact CD2-CG2 4Å; W354-I367 HydrophobicContact CE3-CB 4.12Å; W354-I367 HydrophobicContact CE3-CG2 3.53Å; W354-I367 HydrophobicContact CG-CD1 3.99Å; W354-I367 HydrophobicContact CH2-CB 4.42Å; W354-I367 HydrophobicContact CH2-CG2 4.32Å; W354-I367 HydrophobicContact CZ2-CB 4.44Å; W354-I367 HydrophobicContact CZ3-CB 4.27Å; W354-I367 HydrophobicContact CZ3-CG2 3.71Å
355K98.1Very high96.1Very high94 Ų9459 Ų5941%0.40929%0.291SS..EExtended strand (participates in β ladder)trans-107.5128.3-176.9-58.4-168.1-175.7-129.90111.4I321 E322 G341 K342 V353I321-K355 CarbonylContact O-C 3.59Å; I321-K355 WeakPolarHBondContact O-CA 3.42Å; E322-K355 HydrophobicContact CB-CG 4.47Å; E322-K355 HydrophobicContact CG-CG 4.19Å; E322-K355 WeakPolarHBondContact OE1-CE 3.3Å; E322-K355 IonicContact OE1-NZ 2.69Å; E322-K355 PolarHBondContact OE1-NZ 2.8Å; E322-K355 WeakPolarHBondContact OE2-CE 3.28Å; E322-K355 IonicContact OE2-NZ 2.76Å; E322-K355 PolarHBondContact OE2-NZ 2.82Å; G341-K355 CarbonylContact C-O 3.53Å; G341-K355 VanDerWaalsContact CA-O 3.25Å; G341-K355 WeakPolarHBondContact CA-O 3.26Å; K342-K355 PolarHBondContact N-O 3.44Å; K342-K355 PolarHBondContact O-N 2.79Å; V353-K355 HydrophobicContact CG1-CD 4.48Å; V353-K355 HydrophobicContact CG1-CG 4.03Å
356I97.6Very high96.1Very high6 Ų660.1 Ų60.13%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-121.4119.2174.2-53174.3000107.9I308 I321 K340 W354 R358 M359I308-I356 HydrophobicContact CD1-CD1 3.52Å; I321-I356 HydrophobicContact CB-CB 4.11Å; I321-I356 WeakPolarHBondContact CB-O 3.23Å; I321-I356 HydrophobicContact CG2-CB 4.39Å; I321-I356 PolarHBondContact N-O 3.41Å; I321-I356 PolarHBondContact O-N 2.91Å; K340-I356 HydrophobicContact CD-CG2 4.43Å; W354-I356 HydrophobicContact CD2-CD1 4.34Å; W354-I356 HydrophobicContact CD2-CG1 4.46Å; W354-I356 HydrophobicContact CH2-CD1 3.94Å; W354-I356 HydrophobicContact CZ2-CD1 3.48Å; W354-I356 VanDerWaalsContact CZ2-CD1 3.48Å; W354-I356 HydrophobicContact CZ2-CG1 4.13Å; I356-R358 VanDerWaalsContact C-N 3.33Å; I356-R358 WeakPolarHBondContact CG2-O 3.32Å; I356-R358 PolarHBondContact O-N 3.49Å; I356-M359 HydrophobicContact CD1-CE 3.82Å
357K95.6Very high96.2Very high187 Ų18757.2 Ų57.281%0.81329%0.286SS*.EExtended strand (participates in β ladder)trans-58.4-45.3-176.7-174.2177.1-179.2176.60112
358R96.1Very high96.4Very high165 Ų16556.1 Ų56.162%0.62328%0.275SS*.EExtended strand (participates in β ladder)trans-152.4147.9179.559.7-177.8172.8-170.4-0.9112.6A318 I356A318-R358 CarbonylContact O-C 3.44Å; A318-R358 WeakPolarHBondContact O-CA 3.3Å; I356-R358 VanDerWaalsContact C-N 3.33Å; I356-R358 WeakPolarHBondContact CG2-O 3.32Å; I356-R358 PolarHBondContact O-N 3.49Å
359M96.9Very high96.6Very high2 Ų251 Ų511%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-142.3127.7174-179.4175.1-80.400110.3F288 I308 A318 I321 K340 I356 K363 S365F288-M359 HydrophobicContact CE1-SD 3.84Å; I308-M359 HydrophobicContact CD1-CE 3.73Å; I308-M359 HydrophobicContact CD1-SD 4.31Å; I308-M359 HydrophobicContact CG1-CE 4.07Å; A318-M359 PolarHBondContact N-O 3.08Å; A318-M359 PolarHBondContact O-N 3.12Å; I321-M359 HydrophobicContact CD1-CB 3.38Å; K340-M359 HydrophobicContact CD-CE 4.37Å; I356-M359 HydrophobicContact CD1-CE 3.82Å; M359-K363 HydrophobicContact CG-CB 4.23Å; M359-S365 VanDerWaalsContact CE-CB 3.49Å; M359-S365 WeakPolarHBondContact CE-OG 3.28Å
360A97.5Very high96.8Very high24 Ų2451.9 Ų51.920%0.19824%0.243CC..EExtended strand (participates in β ladder)trans-70.8159.3172.100000111.7S310 L316 L317 K363S310-A360 PolarHBondContact OG-O 2.83Å; L316-A360 WeakPolarHBondContact O-CA 2.87Å; L317-A360 HydrophobicContact CD2-CB 3.69Å; A360-K363 HydrophobicContact CB-CG 4.04Å
361G96.7Very high96.9Very high0 Ų049.5 Ų49.50%023%0.231CC..THydrogen-bonded Turntrans-64.4155.717300000112.7F312 L316 K363F312-G361 VanDerWaalsContact CD2-CA 3.45Å; F312-G361 CarbonylContact O-C 3.55Å; F312-G361 VanDerWaalsContact O-CA 3.24Å; F312-G361 WeakPolarHBondContact O-CA 3.39Å; L316-G361 PolarHBondContact O-N 3.31Å; G361-K363 VanDerWaalsContact C-N 3.25Å; G361-K363 PolarHBondContact O-N 2.83Å
362M96.9Very high96.8Very high118 Ų11854.3 Ų54.358%0.58125%0.253SS*.THydrogen-bonded Turntrans55.138.9-178.8-53.2-58.8-75.100113.3S310 F312 P314S310-M362 VanDerWaalsContact O-CA 3.25Å; S310-M362 WeakPolarHBondContact O-CA 3.37Å; S310-M362 PolarHBondContact O-N 2.81Å; S310-M362 VanDerWaalsContact O-N 3.09Å; S310-M362 PolarHBondContact OG-N 3.01Å; F312-M362 WeakPolarHBondContact O-CG 3.47Å; F312-M362 PolarHBondContact O-N 3.45Å; P314-M362 HydrophobicContact CG-CB 4.12Å; P314-M362 HydrophobicContact CG-CG 3.85Å
363K96.4Very high96.6Very high118 Ų11855.5 Ų55.551%0.51326%0.259SS..  trans-119.8155.3175.5-65-59.5179.5-173.40110.5K309 S310 M359 A360 G361K309-K363 WeakPolarHBondContact CA-O 3.38Å; S310-K363 PolarHBondContact N-O 3.06Å; S310-K363 PolarHBondContact OG-N 2.81Å; S310-K363 PolarHBondContact OG-O 3.12Å; S310-K363 VanDerWaalsContact OG-O 3.11Å; M359-K363 HydrophobicContact CG-CB 4.23Å; A360-K363 HydrophobicContact CB-CG 4.04Å; G361-K363 VanDerWaalsContact C-N 3.25Å; G361-K363 PolarHBondContact O-N 2.83Å
364E95.9Very high96.1Very high98 Ų9860.1 Ų60.146%0.45828%0.283SS..EExtended strand (participates in β ladder)trans-118.7146.4176.5-174.1163.4162.800109.7V307 I308 K309V307-E364 HydrophobicContact CG1-CG 3.68Å; V307-E364 WeakPolarHBondContact CG1-OE1 3.38Å; I308-E364 WeakPolarHBondContact O-CA 3.23Å; K309-E364 VanDerWaalsContact CE-OE2 3.22Å; K309-E364 WeakPolarHBondContact CE-OE2 3.32Å; K309-E364 HydrophobicContact CG-CB 4.49Å; K309-E364 HydrophobicContact CG-CG 4.05Å; K309-E364 IonicContact NZ-OE1 2.88Å; K309-E364 PolarHBondContact NZ-OE1 2.75Å; K309-E364 IonicContact NZ-OE2 3.45Å; K309-E364 PolarHBondContact NZ-OE2 2.81Å
365S96.6Very high95.3Very high11 Ų1164.9 Ų64.98%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-146.3150.7167.2-61.90000109.3I308 K340 M359I308-S365 WeakPolarHBondContact CG1-O 3.48Å; I308-S365 PolarHBondContact N-O 3.21Å; I308-S365 PolarHBondContact O-N 2.84Å; K340-S365 WeakPolarHBondContact CD-OG 3.41Å; M359-S365 VanDerWaalsContact CE-CB 3.49Å; M359-S365 WeakPolarHBondContact CE-OG 3.28Å
366Q96.3Very high94.3Very high82 Ų8263.7 Ų63.738%0.38332%0.315SS..EExtended strand (participates in β ladder)trans-133.8153.8-17866.9179.52.700111.2V306 V307V306-Q366 VanDerWaalsContact O-CA 3.3Å; V306-Q366 WeakPolarHBondContact O-CA 3.34Å; V307-Q366 HydrophobicContact CG2-CB 4.07Å
367I97.3Very high92.9Very high2 Ų271.7 Ų71.71%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-130.9139.2169.5-178.9175.4000107.8K305 V306 I325 V336 C338 A343 I352 W354K305-I367 WeakPolarHBondContact CA-O 3.29Å; V306-I367 HydrophobicContact CB-CG2 3.78Å; V306-I367 PolarHBondContact N-O 2.89Å; V306-I367 PolarHBondContact O-N 2.65Å; I325-I367 HydrophobicContact CD1-CD1 4.35Å; I325-I367 HydrophobicContact CD1-CG2 3.81Å; V336-I367 HydrophobicContact CG1-CD1 3.64Å; V336-I367 HydrophobicContact CG1-CG1 3.83Å; C338-I367 HydrophobicContact CB-CG1 4.42Å; A343-I367 HydrophobicContact CB-CD1 3.46Å; A343-I367 VanDerWaalsContact CB-CD1 3.46Å; I352-I367 HydrophobicContact CG2-CD1 4.1Å; W354-I367 HydrophobicContact CB-CD1 3.98Å; W354-I367 HydrophobicContact CD2-CB 4.14Å; W354-I367 HydrophobicContact CD2-CD1 4.33Å; W354-I367 HydrophobicContact CD2-CG2 4Å; W354-I367 HydrophobicContact CE3-CB 4.12Å; W354-I367 HydrophobicContact CE3-CG2 3.53Å; W354-I367 HydrophobicContact CG-CD1 3.99Å; W354-I367 HydrophobicContact CH2-CB 4.42Å; W354-I367 HydrophobicContact CH2-CG2 4.32Å; W354-I367 HydrophobicContact CZ2-CB 4.44Å; W354-I367 HydrophobicContact CZ3-CB 4.27Å; W354-I367 HydrophobicContact CZ3-CG2 3.71Å
368S97.4Very high91.6Very high39 Ų3968.7 Ų68.727%0.27335%0.351SS..EExtended strand (participates in β ladder)trans-119.3141.1170.2-59.20000108.6V304 I337V304-S368 CarbonylContact O-C 3.58Å; V304-S368 WeakPolarHBondContact O-CA 3.47Å; I337-S368 PolarHBondContact N-O 3.14Å; I337-S368 PolarHBondContact O-N 3.43Å
369A97.1Very high90.2Very high5 Ų571 Ų714%0.04137%0.365CS..EExtended strand (participates in β ladder)trans-139.3140.4176.200000110.7V304 Q335 V336 I352V304-A369 PolarHBondContact N-O 3.29Å; V304-A369 PolarHBondContact O-N 2.74Å; Q335-A369 CarbonylContact O-C 3.54Å; Q335-A369 WeakPolarHBondContact O-CA 3.45Å; V336-A369 HydrophobicContact CG2-CB 4.24Å; I352-A369 HydrophobicContact CD1-CB 3.46Å; I352-A369 VanDerWaalsContact CD1-CB 3.46Å
370E96.9Very high88.9Confident84 Ų8480.1 Ų80.139%0.39341%0.405SS..EExtended strand (participates in β ladder)trans-107.8125.3166.7-51.8-165.5149.200108.1K301 E303 V334 Q335K301-E370 WeakPolarHBondContact CE-OE2 3.35Å; K301-E370 IonicContact NZ-OE1 2.82Å; K301-E370 PolarHBondContact NZ-OE1 3.2Å; K301-E370 IonicContact NZ-OE2 2.96Å; K301-E370 PolarHBondContact NZ-OE2 2.69Å; E303-E370 HydrophobicContact CG-CG 4.43Å; V334-E370 CarbonylContact C-O 3.6Å; V334-E370 WeakPolarHBondContact CA-O 3.41Å; Q335-E370 HydrophobicContact CB-CB 4.23Å; Q335-E370 PolarHBondContact N-O 2.81Å; Q335-E370 PolarHBondContact O-N 2.88Å
371I96.1Very high87.8Confident0 Ų087.9 Ų87.90%043%0.434CS..EExtended strand (participates in β ladder)trans-115.7117.4-176.4-59.7163.9000107K301 L302 V304 T327 T331 G333 V334 I352 L373K301-I371 CarbonylContact C-O 3.5Å; K301-I371 WeakPolarHBondContact CA-O 3.11Å; L302-I371 HydrophobicContact CB-CB 4.2Å; L302-I371 HydrophobicContact CD2-CD1 4.12Å; L302-I371 PolarHBondContact N-O 2.91Å; L302-I371 PolarHBondContact O-N 2.77Å; V304-I371 HydrophobicContact CG2-CD1 3.81Å; T327-I371 HydrophobicContact CG2-CD1 3.7Å; T327-I371 HydrophobicContact CG2-CG1 4.4Å; T331-I371 HydrophobicContact CG2-CG2 3.72Å; T331-I371 WeakPolarHBondContact OG1-CG2 3.5Å; G333-I371 WeakPolarHBondContact O-CA 3.23Å; V334-I371 HydrophobicContact CG1-CG1 4.22Å; V334-I371 HydrophobicContact CG2-CG1 4.36Å; V334-I371 HydrophobicContact CG2-CG2 4.44Å; I352-I371 HydrophobicContact CD1-CD1 4.3Å; I352-I371 HydrophobicContact CD1-CG1 4.43Å; I371-L373 HydrophobicContact CG2-CD2 3.82Å
372E94.6Very high87.1Confident100 Ų10091.2 Ų91.247%0.46745%0.447SS..EExtended strand (participates in β ladder)trans-83.4137.6172.9-65.1174.1-172.200109.5T300 T331 S332 G333T300-E372 WeakPolarHBondContact O-CA 3.46Å; T331-E372 WeakPolarHBondContact CA-O 3.18Å; S332-E372 PolarHBondContact N-O 3.47Å; S332-E372 VanDerWaalsContact OG-CB 3.29Å; S332-E372 WeakPolarHBondContact OG-CB 3.31Å; S332-E372 PolarHBondContact OG-O 2.76Å; G333-E372 PolarHBondContact O-N 2.86Å
373L91.7Very high86.2Confident26 Ų2689.7 Ų89.714%0.13645%0.453CS..EExtended strand (participates in β ladder)trans-120.3135.8-176.2-55.2179.7000109.7T300 L302 P328 N330 I371T300-L373 PolarHBondContact O-N 3.01Å; L302-L373 HydrophobicContact CB-CD1 4.16Å; P328-L373 HydrophobicContact CB-CD2 3.77Å; P328-L373 HydrophobicContact CG-CD1 4.48Å; P328-L373 HydrophobicContact CG-CD2 3.65Å; N330-L373 WeakPolarHBondContact O-CA 3.5Å; I371-L373 HydrophobicContact CG2-CD2 3.82Å
374L88.7Confident85.8Confident101 Ų10187.9 Ų87.953%0.52944%0.443SS..  trans-72.2133.3165.9-65.9172.8000109.3N330 T376N330-L374 HydrophobicContact CB-CB 4.45Å; N330-L374 PolarHBondContact ND2-O 3.49Å; N330-L374 PolarHBondContact O-N 2.77Å; L374-T376 PolarHBondContact O-N 2.92Å
375P80.6Confident85.6Confident100 Ų10085.9 Ų85.965%0.64944%0.438SS*.  trans-55.1125.9173.4-22.230.9000110.6T300T300-P375 HydrophobicContact CG2-CG 4.07Å
376T76.5Confident85.5Confident70 Ų7087.3 Ų87.343%0.42945%0.447SS..  trans-110.6147.1171.3510000109.7N330 L374 D378N330-T376 HydrophobicContact CB-CG2 3.88Å; L374-T376 PolarHBondContact O-N 2.92Å; T376-D378 PolarHBondContact O-N 2.81Å
377N68.8Low85.6Confident174 Ų17483.5 Ų83.593%0.9343%0.43SS*.  trans-77.32174.2-72.5-22.2000112.5K379N377-K379 PolarHBondContact O-N 2.86Å
378D68.2Low85.6Confident124 Ų12484.6 Ų84.666%0.66344%0.437SS*.  trans-73.6121.8-177-71.4-41.9000111.6T376 K380T376-D378 PolarHBondContact O-N 2.81Å; D378-K380 PolarHBondContact O-N 2.87Å
379K66.1Low85.6Confident213 Ų21382.8 Ų82.893%0.92643%0.425SS*.  trans-74.5-10.1171.7-64.8-175.8-178.9-179.90113.1N377N377-K379 PolarHBondContact O-N 2.86Å
380K70.9Confident85.6Confident193 Ų19386.3 Ų86.384%0.83944%0.442SS*.SBendtrans-81.6120.6-178.1-74.1-174.6178.5178.20109.9D378D378-K380 PolarHBondContact O-N 2.87Å
381K73.8Confident85.7Confident188 Ų18882.7 Ų82.782%0.81743%0.425SS*.PPolyproline II helixtrans-58.7139170.9-68.4-172.6178.1-175.50109.7A383K381-A383 PolarHBondContact O-N 2.83Å
382W82.1Confident85.8Confident70 Ų7085.4 Ų85.427%0.26544%0.438SS..PPolyproline II helixtrans-57.5122.6177174.950.8000110L302 P326 P328 R384 P385L302-W382 HydrophobicContact CD2-CE3 4.32Å; L302-W382 HydrophobicContact CD2-CH2 4.49Å; L302-W382 HydrophobicContact CD2-CZ3 3.72Å; P326-W382 HydrophobicContact CB-CZ2 4.34Å; P326-W382 WeakPolarHBondContact O-CH2 3.26Å; P328-W382 HydrophobicContact CB-CD2 4.22Å; P328-W382 HydrophobicContact CB-CG 4.45Å; P328-W382 HydrophobicContact CG-CD2 3.74Å; P328-W382 HydrophobicContact CG-CE3 3.66Å; P328-W382 HydrophobicContact CG-CG 4.37Å; P328-W382 HydrophobicContact CG-CH2 4.05Å; P328-W382 HydrophobicContact CG-CZ2 4.09Å; P328-W382 HydrophobicContact CG-CZ3 3.83Å; W382-R384 VanDerWaalsContact C-N 3.34Å; W382-R384 HydrophobicContact CD2-CG 4.15Å; W382-R384 HydrophobicContact CE3-CB 4.42Å; W382-R384 HydrophobicContact CE3-CG 3.55Å; W382-R384 HydrophobicContact CH2-CG 4.5Å; W382-R384 HydrophobicContact CZ3-CB 4.38Å; W382-R384 HydrophobicContact CZ3-CG 3.75Å; W382-R384 PolarHBondContact O-N 3.09Å; W382-P385 HydrophobicContact CZ2-CG 4.39Å
383A78.3Confident85.9Confident86 Ų8680.7 Ų80.771%0.71142%0.416SS*.  trans-73.792173.500000108K381 P385K381-A383 PolarHBondContact O-N 2.83Å; A383-P385 WeakPolarHBondContact O-CD 3.48Å; A383-P385 VanDerWaalsContact O-N 3.08Å
384R87.2Confident86.1Confident80 Ų8082.7 Ų82.730%0.30243%0.431SS..  trans-58.3106-176.4-63.6178.2-174.71762.4110.4E296 W382 C436E296-R384 IonicContact OE1-CZ 3.7Å; E296-R384 IonicContact OE1-NE 2.72Å; E296-R384 IonicContact OE1-NH2 3.71Å; E296-R384 PolarHBondContact OE1-NH2 3.41Å; W382-R384 VanDerWaalsContact C-N 3.34Å; W382-R384 HydrophobicContact CD2-CG 4.15Å; W382-R384 HydrophobicContact CE3-CB 4.42Å; W382-R384 HydrophobicContact CE3-CG 3.55Å; W382-R384 HydrophobicContact CH2-CG 4.5Å; W382-R384 HydrophobicContact CZ3-CB 4.38Å; W382-R384 HydrophobicContact CZ3-CG 3.75Å; W382-R384 PolarHBondContact O-N 3.09Å; R384-C436 WeakPolarHBondContact CB-O 3.31Å; R384-C436 VanDerWaalsContact CD-O 3.28Å; R384-C436 WeakPolarHBondContact CD-O 3.42Å; R384-C436 VanDerWaalsContact CD-OXT 3.3Å; R384-C436 WeakPolarHBondContact CD-OXT 3.18Å; R384-C436 PolarHBondContact NH1-OXT 2.78Å
385P91.9Very high86.5Confident55 Ų5579.2 Ų79.236%0.35741%0.411SS..PPolyproline II helixtrans-67.3147.9176.6-12.228.7000108.8P326 W382 A383 C436P326-P385 HydrophobicContact CB-CB 3.99Å; P326-P385 HydrophobicContact CB-CG 3.9Å; P326-P385 HydrophobicContact CG-CB 3.87Å; P326-P385 HydrophobicContact CG-CG 4.36Å; P326-P385 WeakPolarHBondContact CG-O 3.48Å; W382-P385 HydrophobicContact CZ2-CG 4.39Å; A383-P385 WeakPolarHBondContact O-CD 3.48Å; A383-P385 VanDerWaalsContact O-N 3.08Å; P385-C436 PolarHBondContact O-SG 2.82Å
386P95.4Very high87.2Confident41 Ų4174.8 Ų74.827%0.26638%0.383SS..PPolyproline II helixtrans-63.8148.2-177.926.7-33.9000111.7P326 S388 E433 T434P326-P386 WeakPolarHBondContact CG-O 3.49Å; P386-S388 PolarHBondContact O-N 2.89Å; P386-E433 HydrophobicContact CB-CB 3.98Å; P386-E433 HydrophobicContact CB-CG 4.41Å; P386-E433 HydrophobicContact CG-CB 4.25Å; P386-E433 HydrophobicContact CG-CG 4.27Å; P386-E433 WeakPolarHBondContact CG-OE2 3.46Å; P386-T434 CarbonylContact C-O 3.52Å; P386-T434 WeakPolarHBondContact CA-O 3.37Å; P386-T434 WeakPolarHBondContact CB-O 3.48Å
387I97.1Very high88.1Confident3 Ų371.4 Ų71.42%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-71.2126.8168.2-58-169.6000107.9V290 P292 V306 V323 R324 I325 E433 T434V290-I387 HydrophobicContact CG1-CG2 4.15Å; P292-I387 HydrophobicContact CB-CD1 3.69Å; V306-I387 HydrophobicContact CG1-CD1 4.28Å; V306-I387 HydrophobicContact CG2-CD1 3.52Å; V323-I387 HydrophobicContact CG1-CG2 3.65Å; R324-I387 WeakPolarHBondContact O-CA 3.43Å; R324-I387 VanDerWaalsContact O-CG2 3.31Å; R324-I387 WeakPolarHBondContact O-CG2 3.44Å; I325-I387 HydrophobicContact CG1-CD1 4.36Å; I325-I387 HydrophobicContact CG1-CG2 4.25Å; I325-I387 HydrophobicContact CG2-CD1 4.14Å; I387-E433 CarbonylContact O-C 3.57Å; I387-E433 WeakPolarHBondContact O-CA 3.11Å; I387-T434 PolarHBondContact N-O 2.77Å; I387-T434 PolarHBondContact O-N 2.86Å
388S97.4Very high89.4Confident24 Ų2463.4 Ų63.417%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-107.8149176.464.80000111.8V323 R324 P386 Y432V323-S388 WeakPolarHBondContact CA-O 3.27Å; R324-S388 WeakPolarHBondContact CB-OG 3.41Å; R324-S388 PolarHBondContact N-O 3.3Å; R324-S388 PolarHBondContact O-N 2.78Å; R324-S388 VanDerWaalsContact O-N 3.1Å; P386-S388 PolarHBondContact O-N 2.89Å; S388-Y432 WeakPolarHBondContact CA-O 3.39Å
389M97.4Very high90.5Very high2 Ų258.1 Ų58.11%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-130.9125.9-179.4-172.8178.1-17600110.8F288 V290 I308 I321 E322 V323 F391 S429 Y432F288-M389 HydrophobicContact CB-CE 3.95Å; F288-M389 HydrophobicContact CB-SD 3.67Å; F288-M389 HydrophobicContact CD1-CE 3.5Å; F288-M389 VanDerWaalsContact CD1-CE 3.5Å; F288-M389 HydrophobicContact CD1-SD 4.36Å; F288-M389 HydrophobicContact CD2-CE 3.63Å; F288-M389 HydrophobicContact CD2-SD 4.13Å; F288-M389 HydrophobicContact CE1-CE 3.76Å; F288-M389 HydrophobicContact CE2-CE 3.92Å; F288-M389 HydrophobicContact CG-CE 3.4Å; F288-M389 VanDerWaalsContact CG-CE 3.4Å; F288-M389 HydrophobicContact CG-SD 3.82Å; F288-M389 HydrophobicContact CZ-CE 3.95Å; V290-M389 HydrophobicContact CG2-CB 4.42Å; V290-M389 HydrophobicContact CG2-SD 3.79Å; I308-M389 HydrophobicContact CD1-CE 4.32Å; I321-M389 HydrophobicContact CG2-CE 3.43Å; I321-M389 VanDerWaalsContact CG2-CE 3.43Å; E322-M389 CarbonylContact O-C 3.59Å; E322-M389 WeakPolarHBondContact O-CA 3.28Å; V323-M389 HydrophobicContact CG2-CE 4.4Å; V323-M389 HydrophobicContact CG2-CG 4.07Å; V323-M389 HydrophobicContact CG2-SD 4.46Å; M389-F391 HydrophobicContact CE-CD1 4.41Å; M389-F391 HydrophobicContact CG-CD1 4.06Å; M389-F391 HydrophobicContact SD-CD1 4.28Å; M389-S429 VanDerWaalsContact O-CB 3.26Å; M389-S429 WeakPolarHBondContact O-CB 3.28Å; M389-Y432 HydrophobicContact CB-CD1 4.05Å; M389-Y432 PolarHBondContact N-O 3Å; M389-Y432 WeakPolarHBondContact O-CB 3.46Å
390N98.1Very high91.8Very high78 Ų7848.1 Ų48.142%0.41725%0.252SS..EExtended strand (participates in β ladder)trans-102.7140169.2-68.7-55.2000111I321 E322 S429I321-N390 CarbonylContact C-O 3.53Å; I321-N390 VanDerWaalsContact CA-O 3.27Å; I321-N390 WeakPolarHBondContact CA-O 3.45Å; E322-N390 HydrophobicContact CB-CB 4.31Å; E322-N390 PolarHBondContact N-O 3.25Å; E322-N390 PolarHBondContact O-N 2.92Å; N390-S429 VanDerWaalsContact CA-OG 3.23Å; N390-S429 WeakPolarHBondContact CA-OG 3.29Å; N390-S429 PolarHBondContact OD1-OG 3.33Å
391F97.9Very high92.8Very high8 Ų843.6 Ų43.64%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-161.3164.9177.859.8-98.7000112.2P287 F288 I321 M389 V393 R428 S429 Y432P287-F391 HydrophobicContact CB-CE2 4.08Å; P287-F391 HydrophobicContact CB-CZ 4.27Å; P287-F391 HydrophobicContact CG-CE2 3.79Å; P287-F391 HydrophobicContact CG-CZ 3.95Å; F288-F391 HydrophobicContact CD2-CB 4.31Å; F288-F391 AromaticContact CD2-CD1 3.57Å; F288-F391 HydrophobicContact CD2-CD1 3.57Å; F288-F391 HydrophobicContact CD2-CD2 4.14Å; F288-F391 AromaticContact CD2-CE1 3.82Å; F288-F391 HydrophobicContact CD2-CE1 3.82Å; F288-F391 HydrophobicContact CD2-CE2 4.37Å; F288-F391 AromaticContact CD2-CG 3.74Å; F288-F391 HydrophobicContact CD2-CG 3.74Å; F288-F391 HydrophobicContact CD2-CZ 4.21Å; F288-F391 HydrophobicContact CE2-CB 3.7Å; F288-F391 AromaticContact CE2-CD1 3.86Å; F288-F391 HydrophobicContact CE2-CD1 3.86Å; F288-F391 AromaticContact CE2-CD2 3.86Å; F288-F391 HydrophobicContact CE2-CD2 3.86Å; F288-F391 HydrophobicContact CE2-CE1 4.45Å; F288-F391 HydrophobicContact CE2-CE2 4.47Å; F288-F391 AromaticContact CE2-CG 3.52Å; F288-F391 HydrophobicContact CE2-CG 3.52Å; F288-F391 HydrophobicContact CZ-CB 4.49Å; I321-F391 HydrophobicContact CG1-CB 4.25Å; M389-F391 HydrophobicContact CE-CD1 4.41Å; M389-F391 HydrophobicContact CG-CD1 4.06Å; M389-F391 HydrophobicContact SD-CD1 4.28Å; F391-V393 HydrophobicContact CD2-CG1 3.99Å; F391-V393 HydrophobicContact CE2-CG1 4.4Å; F391-V393 HydrophobicContact CE2-CG2 4.39Å; F391-R428 WeakPolarHBondContact O-CA 3.3Å; F391-S429 PolarHBondContact N-OG 2.86Å; F391-S429 PolarHBondContact O-N 3.42Å; F391-Y432 HydrophobicContact CE1-CD1 4.11Å; F391-Y432 AromaticContact CE1-CD2 3.72Å; F391-Y432 HydrophobicContact CE1-CD2 3.72Å; F391-Y432 HydrophobicContact CE1-CE1 4.22Å; F391-Y432 AromaticContact CE1-CE2 3.84Å; F391-Y432 HydrophobicContact CE1-CE2 3.84Å; F391-Y432 AromaticContact CE1-CG 3.84Å; F391-Y432 HydrophobicContact CE1-CG 3.84Å; F391-Y432 AromaticContact CZ-CD2 3.91Å; F391-Y432 HydrophobicContact CZ-CD2 3.91Å; F391-Y432 AromaticContact CZ-CE2 3.84Å; F391-Y432 HydrophobicContact CZ-CE2 3.84Å; F391-Y432 HydrophobicContact CZ-CG 4.48Å
392E98.1Very high93.7Very high58 Ų5836.2 Ų36.227%0.27120%0.203SC..EExtended strand (participates in β ladder)trans-129.2133.7168.4-166.3179.4130.200109.3A318 Q319 K320 I426 G427A318-E392 CarbonylContact C-O 3.53Å; A318-E392 VanDerWaalsContact CA-O 3.28Å; A318-E392 WeakPolarHBondContact CA-O 3.44Å; Q319-E392 PolarHBondContact N-O 3.41Å; Q319-E392 PolarHBondContact O-N 3.39Å; K320-E392 IonicContact NZ-OE2 2.71Å; K320-E392 PolarHBondContact NZ-OE2 2.81Å; E392-I426 HydrophobicContact CG-CG2 3.77Å; E392-G427 CarbonylContact C-O 3.58Å; E392-G427 WeakPolarHBondContact CA-O 3.46Å
393V97.7Very high94.1Very high1 Ų138.3 Ų38.31%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-129.6139.4179-66.70000111.1P287 F288 F312 A318 F391 F395 P397 G427P287-V393 HydrophobicContact CB-CG1 4.09Å; P287-V393 HydrophobicContact CG-CG2 4.24Å; F288-V393 HydrophobicContact CE2-CG1 4.25Å; F312-V393 HydrophobicContact CE1-CG1 4.33Å; A318-V393 HydrophobicContact CB-CG1 3.79Å; F391-V393 HydrophobicContact CD2-CG1 3.99Å; F391-V393 HydrophobicContact CE2-CG1 4.4Å; F391-V393 HydrophobicContact CE2-CG2 4.39Å; V393-F395 HydrophobicContact CB-CD1 3.69Å; V393-F395 HydrophobicContact CB-CE1 3.49Å; V393-F395 VanDerWaalsContact CB-CE1 3.49Å; V393-F395 HydrophobicContact CB-CZ 4.41Å; V393-F395 HydrophobicContact CG1-CE1 4Å; V393-F395 HydrophobicContact CG2-CD1 3.75Å; V393-F395 HydrophobicContact CG2-CE1 3.49Å; V393-F395 VanDerWaalsContact CG2-CE1 3.49Å; V393-F395 HydrophobicContact CG2-CG 4.44Å; V393-F395 HydrophobicContact CG2-CZ 3.98Å; V393-F395 PolarHBondContact O-N 2.88Å; V393-P397 HydrophobicContact CG2-CG 4.46Å; V393-G427 WeakPolarHBondContact CG2-O 3.36Å; V393-G427 PolarHBondContact N-O 2.84Å; V393-G427 PolarHBondContact O-N 2.84Å
394P96.6Very high94.7Very high67 Ų6738.4 Ų38.444%0.43519%0.193SC..SBendtrans-85.846.9-174.636.4-38.3000112.5L316 L317 Y425L316-P394 HydrophobicContact CB-CG 4.23Å; L316-P394 HydrophobicContact CD2-CG 4.22Å; L317-P394 WeakPolarHBondContact O-CD 3.44Å; P394-Y425 CarbonylContact C-O 3.57Å; P394-Y425 VanDerWaalsContact C-O 3.32Å
395F96.1Very high95Very high28 Ų2835.4 Ų35.412%0.12318%0.183CC..SBendtrans-152.3168.7174.870.8-86.6000110.1I285 P287 F312 L316 V393 P397 Y425 G427I285-F395 HydrophobicContact CB-CE2 4.28Å; I285-F395 HydrophobicContact CG2-CE2 4.01Å; I285-F395 HydrophobicContact CG2-CZ 4.31Å; P287-F395 HydrophobicContact CB-CZ 4.08Å; P287-F395 HydrophobicContact CG-CZ 3.9Å; F312-F395 HydrophobicContact CB-CE1 3.75Å; F312-F395 HydrophobicContact CB-CZ 3.89Å; F312-F395 HydrophobicContact CD1-CE1 4.27Å; F312-F395 HydrophobicContact CD2-CE1 4.46Å; F312-F395 AromaticContact CG-CE1 3.93Å; F312-F395 HydrophobicContact CG-CE1 3.93Å; F312-F395 HydrophobicContact CG-CZ 4.42Å; L316-F395 HydrophobicContact CD1-CB 4.29Å; L316-F395 HydrophobicContact CD1-CD1 3.95Å; L316-F395 HydrophobicContact CD1-CG 4.41Å; V393-F395 HydrophobicContact CB-CD1 3.69Å; V393-F395 HydrophobicContact CB-CE1 3.49Å; V393-F395 VanDerWaalsContact CB-CE1 3.49Å; V393-F395 HydrophobicContact CB-CZ 4.41Å; V393-F395 HydrophobicContact CG1-CE1 4Å; V393-F395 HydrophobicContact CG2-CD1 3.75Å; V393-F395 HydrophobicContact CG2-CE1 3.49Å; V393-F395 VanDerWaalsContact CG2-CE1 3.49Å; V393-F395 HydrophobicContact CG2-CG 4.44Å; V393-F395 HydrophobicContact CG2-CZ 3.98Å; V393-F395 PolarHBondContact O-N 2.88Å; F395-P397 HydrophobicContact CE2-CG 4.25Å; F395-P397 VanDerWaalsContact O-CD 3.23Å; F395-P397 WeakPolarHBondContact O-CD 3.37Å; F395-Y425 PolarHBondContact N-O 2.81Å; F395-G427 WeakPolarHBondContact O-CA 3.04Å; F395-G427 PolarHBondContact O-N 2.78Å
396A96.2Very high95.1Very high7 Ų738 Ų386%0.05819%0.188CC..  trans-91.4108.8171.800000110.5V177 E179 S398 G399 Y425V177-A396 HydrophobicContact CG1-CB 4.29Å; E179-A396 HydrophobicContact CG-CB 4.42Å; E179-A396 VanDerWaalsContact OE2-CA 3.24Å; E179-A396 WeakPolarHBondContact OE2-CA 3.25Å; E179-A396 WeakPolarHBondContact OE2-CB 3.24Å; A396-S398 PolarHBondContact O-N 2.85Å; A396-G399 PolarHBondContact O-N 2.81Å; A396-Y425 HydrophobicContact CB-CD1 3.88Å
397P95.4Very high95.1Very high0 Ų036.1 Ų36.10%018%0.177CC..THydrogen-bonded Turntrans-50.1-28.7173.2-33.139000116.6E179 V181 V196 I285 P287 V393 F395 G399E179-P397 WeakPolarHBondContact OE2-CD 3.48Å; V181-P397 HydrophobicContact CG2-CB 3.44Å; V181-P397 VanDerWaalsContact CG2-CB 3.44Å; V181-P397 HydrophobicContact CG2-CG 3.3Å; V196-P397 HydrophobicContact CG2-CB 4.01Å; I285-P397 WeakPolarHBondContact CB-O 3.44Å; I285-P397 PolarHBondContact N-O 3.38Å; P287-P397 HydrophobicContact CG-CG 4.32Å; V393-P397 HydrophobicContact CG2-CG 4.46Å; F395-P397 HydrophobicContact CE2-CG 4.25Å; F395-P397 VanDerWaalsContact O-CD 3.23Å; F395-P397 WeakPolarHBondContact O-CD 3.37Å; P397-G399 PolarHBondContact O-N 2.85Å
398S94.6Very high95.1Very high5 Ų541.9 Ų41.94%0.03520%0.202CC..THydrogen-bonded Turntrans-74.3-13.9174.872.50000114E179 I242 A396 L400E179-S398 VanDerWaalsContact CD-OG 3.26Å; E179-S398 VanDerWaalsContact OE1-CB 3.27Å; E179-S398 WeakPolarHBondContact OE1-CB 3.34Å; E179-S398 PolarHBondContact OE1-OG 2.74Å; E179-S398 PolarHBondContact OE2-N 2.81Å; E179-S398 PolarHBondContact OE2-OG 2.9Å; I242-S398 WeakPolarHBondContact CD1-OG 3.48Å; A396-S398 PolarHBondContact O-N 2.85Å; S398-L400 VanDerWaalsContact C-N 3.29Å; S398-L400 WeakPolarHBondContact OG-CB 3.4Å; S398-L400 PolarHBondContact OG-N 2.85Å
399G92.1Very high95Very high14 Ų1441 Ų4114%0.14420%0.195CC..  trans77.68.5-169.400000114.5N217 A396 P397 K401N217-G399 PolarHBondContact ND2-O 2.98Å; A396-G399 PolarHBondContact O-N 2.81Å; P397-G399 PolarHBondContact O-N 2.85Å; G399-K401 PolarHBondContact O-N 2.84Å
400L93.2Very high94.7Very high2 Ų244.8 Ų44.81%0.0122%0.222CC..  trans-55.9131.5173.3-169.7143.7000110.7V177 M216 N217 I242 Y278 S398 Y425V177-L400 HydrophobicContact CG1-CD2 3.89Å; V177-L400 HydrophobicContact CG2-CD2 3.99Å; M216-L400 HydrophobicContact SD-CD1 4.06Å; N217-L400 WeakPolarHBondContact OD1-CA 3.37Å; I242-L400 HydrophobicContact CD1-CB 3.86Å; I242-L400 HydrophobicContact CD1-CD1 4.13Å; I242-L400 HydrophobicContact CD1-CG 4.43Å; Y278-L400 HydrophobicContact CD1-CD1 4.44Å; Y278-L400 HydrophobicContact CD2-CD1 4.45Å; Y278-L400 HydrophobicContact CE1-CD1 3.87Å; Y278-L400 HydrophobicContact CE2-CD1 3.87Å; S398-L400 VanDerWaalsContact C-N 3.29Å; S398-L400 WeakPolarHBondContact OG-CB 3.4Å; S398-L400 PolarHBondContact OG-N 2.85Å; L400-Y425 HydrophobicContact CD2-CE1 4.42Å; L400-Y425 VanDerWaalsContact O-CE1 3.3Å; L400-Y425 WeakPolarHBondContact O-CE1 3.22Å
401K92.4Very high94.4Very high99 Ų9948 Ų4843%0.4323%0.232SC..  trans-133.2133172.9-66.9178.1-169.5165.20109.4M216 N217 G399 R403M216-K401 WeakPolarHBondContact CA-O 3.48Å; N217-K401 PolarHBondContact N-O 2.82Å; N217-K401 VanDerWaalsContact N-O 3.16Å; N217-K401 PolarHBondContact OD1-N 2.77Å; N217-K401 PolarHBondContact OD1-O 2.88Å; G399-K401 PolarHBondContact O-N 2.84Å; K401-R403 PolarHBondContact O-N 2.82Å
402V92Very high94Very high32 Ų3251.7 Ų51.719%0.19425%0.251CS..EExtended strand (participates in β ladder)trans-69.1115.7167.9-176.10000107.9V177 F214 V423 Y425V177-V402 HydrophobicContact CG2-CG2 4.23Å; F214-V402 HydrophobicContact CD2-CG1 4.15Å; F214-V402 HydrophobicContact CE2-CB 4.18Å; F214-V402 HydrophobicContact CE2-CG1 3.65Å; F214-V402 HydrophobicContact CE2-CG2 3.63Å; F214-V402 HydrophobicContact CZ-CG2 4.02Å; V402-V423 HydrophobicContact CB-CG2 4.48Å; V402-V423 HydrophobicContact CG2-CG2 3.86Å; V402-Y425 PolarHBondContact N-OH 3.15Å
403R90.4Very high93.7Very high115 Ų11555.9 Ų55.943%0.43428%0.276SS..EExtended strand (participates in β ladder)trans-81.3-43.3176.3-72.8-17767.1-175.60.6111.1G215 M216 N217 Q225 K401G215-R403 PolarHBondContact O-N 3.23Å; M216-R403 WeakPolarHBondContact O-CD 3.45Å; N217-R403 HydrophobicContact CB-CG 4.32Å; Q225-R403 VanDerWaalsContact OE1-NH2 3.13Å; K401-R403 PolarHBondContact O-N 2.82Å
404Y91.1Very high93.5Very high88 Ų8856.6 Ų56.635%0.34528%0.279SS..EExtended strand (participates in β ladder)trans-156.9155.4177.160.1-99.4000110.9K213 G215 K406K213-Y404 HydrophobicContact CB-CE2 4.46Å; G215-Y404 PolarHBondContact N-O 3.22Å; G215-Y404 PolarHBondContact O-N 3.36Å; Y404-K406 HydrophobicContact CD2-CG 4.01Å
405L93.6Very high93.3Very high17 Ų1755.3 Ų55.39%0.08927%0.271CS..EExtended strand (participates in β ladder)trans-134.8112.8164.7176.166.2000107.4L173 L175 M202 K213 F214 K421L173-L405 HydrophobicContact CB-CD2 4.32Å; L173-L405 HydrophobicContact CD1-CD2 3.77Å; L173-L405 HydrophobicContact CD1-CG 4.39Å; L175-L405 HydrophobicContact CD1-CD2 3.29Å; L175-L405 HydrophobicContact CD2-CD2 3.91Å; L175-L405 HydrophobicContact CG-CD2 4.24Å; M202-L405 HydrophobicContact CE-CD2 4.34Å; K213-L405 CarbonylContact O-C 3.58Å; K213-L405 WeakPolarHBondContact O-CA 3.37Å; F214-L405 HydrophobicContact CB-CD1 4.2Å; F214-L405 HydrophobicContact CD2-CD1 4.39Å; L405-K421 HydrophobicContact CD2-CD 4.5Å; L405-K421 HydrophobicContact CD2-CG 4.5Å; L405-K421 PolarHBondContact O-NZ 2.86Å
406K94.8Very high93Very high108 Ų10856.3 Ų56.347%0.4728%0.278SS..EExtended strand (participates in β ladder)trans-101.5147177.7-56.5-170.8178.2-173.30110.7C212 K213 Y404 D416C212-K406 CarbonylContact C-O 3.6Å; C212-K406 WeakPolarHBondContact CA-O 3.41Å; K213-K406 HydrophobicContact CB-CB 4.25Å; K213-K406 PolarHBondContact N-O 2.95Å; K213-K406 PolarHBondContact O-N 3.22Å; Y404-K406 HydrophobicContact CD2-CG 4.01Å; K406-D416 VanDerWaalsContact C-OD1 3.28Å; K406-D416 WeakPolarHBondContact CA-OD1 3.41Å; K406-D416 WeakPolarHBondContact CB-OD2 3.37Å; K406-D416 WeakPolarHBondContact CG-OD2 3.39Å
407V96Very high92.7Very high3 Ų364.4 Ų64.42%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-140.4130.5-177.4-170.80000107.4L173 L206 P210 Y414 S415 D416 V419L173-V407 HydrophobicContact CD1-CG2 3.39Å; L206-V407 HydrophobicContact CD1-CG1 4.01Å; P210-V407 HydrophobicContact CB-CG1 3.92Å; V407-Y414 HydrophobicContact CG1-CE2 4.09Å; V407-S415 CarbonylContact O-C 3.51Å; V407-D416 PolarHBondContact N-OD1 3.17Å; V407-D416 PolarHBondContact O-N 2.83Å; V407-V419 HydrophobicContact CB-CG2 4.2Å; V407-V419 HydrophobicContact CG1-CG2 4.03Å; V407-V419 HydrophobicContact CG2-CG1 4.36Å
408F95.6Very high92.6Very high124 Ų12468.6 Ų68.654%0.54434%0.336SS..EExtended strand (participates in β ladder)trans-142.2125.2179-178.9-104.4000109.9P210 E211P210-F408 CarbonylContact C-O 3.32Å; P210-F408 WeakPolarHBondContact CA-O 3.4Å; E211-F408 PolarHBondContact N-O 2.63Å; E211-F408 PolarHBondContact O-N 2.92Å
409E95.3Very high92.7Very high4 Ų468.8 Ų68.82%0.01934%0.337CS..BIsolated β-bridgetrans-124.8102.8174.3174.353.4-106.100109.6M209 P210 K411 L412 N413 Y414M209-E409 VanDerWaalsContact CA-OE2 3.28Å; M209-E409 WeakPolarHBondContact CA-OE2 3.18Å; M209-E409 PolarHBondContact N-OE2 2.84Å; P210-E409 WeakPolarHBondContact CA-OE2 3.17Å; P210-E409 HydrophobicContact CB-CB 4.21Å; E409-K411 WeakPolarHBondContact OE1-CB 3.3Å; E409-K411 PolarHBondContact OE1-N 2.71Å; E409-L412 HydrophobicContact CG-CB 3.72Å; E409-L412 HydrophobicContact CG-CD1 4.36Å; E409-L412 HydrophobicContact CG-CG 4.11Å; E409-N413 WeakPolarHBondContact O-CA 3.44Å; E409-N413 PolarHBondContact O-N 3.45Å; E409-Y414 HydrophobicContact CB-CD1 3.71Å; E409-Y414 HydrophobicContact CB-CD2 4.21Å; E409-Y414 HydrophobicContact CB-CE1 3.39Å; E409-Y414 HydrophobicContact CB-CE2 3.92Å; E409-Y414 HydrophobicContact CB-CG 4.09Å; E409-Y414 VanDerWaalsContact CB-CZ 3.48Å; E409-Y414 HydrophobicContact CG-CD1 3.86Å; E409-Y414 HydrophobicContact CG-CE1 3.46Å; E409-Y414 VanDerWaalsContact CG-CE1 3.46Å; E409-Y414 PolarHBondContact N-O 2.97Å; E409-Y414 PolarHBondContact O-N 2.94Å
410S91.1Very high92.9Very high83 Ų8371.7 Ų71.758%0.5835%0.349SS*.THydrogen-bonded Turntrans-72.4-34.1-176.951.10000113.4
411K91.4Very high93Very high146 Ų14675.1 Ų75.164%0.63536%0.363SS*.THydrogen-bonded Turntrans-73.3-37.1-175.2-64.5-176.2179.2-178.50111.9E164 E409E164-K411 IonicContact OE1-NZ 2.64Å; E164-K411 PolarHBondContact OE1-NZ 3.3Å; E409-K411 WeakPolarHBondContact OE1-CB 3.3Å; E409-K411 PolarHBondContact OE1-N 2.71Å
412L91.2Very high93.2Very high84 Ų8477.7 Ų77.744%0.4437%0.371SS..THydrogen-bonded Turntrans-100.93.5179.8-56.9177.3000113E409 Y414E409-L412 HydrophobicContact CG-CB 3.72Å; E409-L412 HydrophobicContact CG-CD1 4.36Å; E409-L412 HydrophobicContact CG-CG 4.11Å; L412-Y414 VanDerWaalsContact C-N 3.35Å; L412-Y414 HydrophobicContact CB-CD1 3.97Å; L412-Y414 HydrophobicContact CB-CE1 4.28Å; L412-Y414 HydrophobicContact CD1-CE1 4.35Å; L412-Y414 PolarHBondContact O-N 3.11Å
413N90.5Very high93.5Very high146 Ų14679.5 Ų79.578%0.78138%0.382SS*.THydrogen-bonded Turntrans51.546.5175.5-163.136.4000114.1E409E409-N413 WeakPolarHBondContact O-CA 3.44Å; E409-N413 PolarHBondContact O-N 3.45Å
414Y94.1Very high93.7Very high17 Ų1780.2 Ų80.27%0.06738%0.384CS..BIsolated β-bridgetrans-122151.7170.979.9-102.9000111.3S207 V407 E409 L412 D418 V419S207-Y414 PolarHBondContact N-OH 2.86Å; S207-Y414 VanDerWaalsContact O-CE1 3.28Å; S207-Y414 WeakPolarHBondContact O-CE1 3.46Å; S207-Y414 PolarHBondContact O-OH 2.9Å; V407-Y414 HydrophobicContact CG1-CE2 4.09Å; E409-Y414 HydrophobicContact CB-CD1 3.71Å; E409-Y414 HydrophobicContact CB-CD2 4.21Å; E409-Y414 HydrophobicContact CB-CE1 3.39Å; E409-Y414 HydrophobicContact CB-CE2 3.92Å; E409-Y414 HydrophobicContact CB-CG 4.09Å; E409-Y414 VanDerWaalsContact CB-CZ 3.48Å; E409-Y414 HydrophobicContact CG-CD1 3.86Å; E409-Y414 HydrophobicContact CG-CE1 3.46Å; E409-Y414 VanDerWaalsContact CG-CE1 3.46Å; E409-Y414 PolarHBondContact N-O 2.97Å; E409-Y414 PolarHBondContact O-N 2.94Å; L412-Y414 VanDerWaalsContact C-N 3.35Å; L412-Y414 HydrophobicContact CB-CD1 3.97Å; L412-Y414 HydrophobicContact CB-CE1 4.28Å; L412-Y414 HydrophobicContact CD1-CE1 4.35Å; L412-Y414 PolarHBondContact O-N 3.11Å; Y414-D418 HydrophobicContact CD2-CB 4.39Å; Y414-V419 HydrophobicContact CD2-CG2 3.84Å; Y414-V419 HydrophobicContact CE2-CG2 3.71Å
415S93.1Very high94Very high40 Ų4078.7 Ų78.728%0.2838%0.378SS..  trans-134.6-167.8-168.572.90000111.8V407 H417 D418V407-S415 CarbonylContact O-C 3.51Å; S415-H417 PolarHBondContact O-N 3.18Å; S415-H417 VanDerWaalsContact O-N 3.14Å; S415-D418 PolarHBondContact N-OD2 2.86Å; S415-D418 PolarHBondContact O-N 2.7Å; S415-D418 PolarHBondContact OG-OD2 2.84Å
416D89.1Confident94.2Very high48 Ų4879.5 Ų79.526%0.25738%0.382SS..G310 helixtrans-54-31.8-179.8-84.8-28.5000115.3K406 V407 D418 K421K406-D416 VanDerWaalsContact C-OD1 3.28Å; K406-D416 WeakPolarHBondContact CA-OD1 3.41Å; K406-D416 WeakPolarHBondContact CB-OD2 3.37Å; K406-D416 WeakPolarHBondContact CG-OD2 3.39Å; V407-D416 PolarHBondContact N-OD1 3.17Å; V407-D416 PolarHBondContact O-N 2.83Å; D416-D418 VanDerWaalsContact C-N 3.31Å; D416-K421 VanDerWaalsContact CG-NZ 3.29Å; D416-K421 IonicContact OD1-NZ 3.71Å; D416-K421 PolarHBondContact OD1-NZ 3.19Å
417H89.8Confident94.4Very high178 Ų17874.3 Ų74.382%0.82436%0.36SS*.G310 helixtrans-77.7-20-177.8-62.5-73000112.8S415S415-H417 PolarHBondContact O-N 3.18Å; S415-H417 VanDerWaalsContact O-N 3.14Å
418D93.9Very high94.4Very high87 Ų8779.7 Ų79.747%0.46538%0.38SS..G310 helixtrans-94.42-176.5-50.9-63.4000112.5Y414 S415 D416Y414-D418 HydrophobicContact CD2-CB 4.39Å; S415-D418 PolarHBondContact N-OD2 2.86Å; S415-D418 PolarHBondContact O-N 2.7Å; S415-D418 PolarHBondContact OG-OD2 2.84Å; D416-D418 VanDerWaalsContact C-N 3.31Å
419V95.9Very high94.5Very high10 Ų1074.6 Ų74.66%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-121.2122.9-174.9-177.10000110.4N171 L173 L206 V407 Y414 K421N171-V419 HydrophobicContact CB-CB 4.49Å; N171-V419 HydrophobicContact CB-CG1 4.48Å; N171-V419 HydrophobicContact CB-CG2 3.93Å; N171-V419 WeakPolarHBondContact O-CA 3.47Å; L173-V419 HydrophobicContact CB-CG1 4.49Å; L173-V419 HydrophobicContact CD1-CG1 4.01Å; L173-V419 HydrophobicContact CG-CG1 3.95Å; L206-V419 HydrophobicContact CD2-CG1 3.77Å; L206-V419 HydrophobicContact CD2-CG2 4.16Å; V407-V419 HydrophobicContact CB-CG2 4.2Å; V407-V419 HydrophobicContact CG1-CG2 4.03Å; V407-V419 HydrophobicContact CG2-CG1 4.36Å; Y414-V419 HydrophobicContact CD2-CG2 3.84Å; Y414-V419 HydrophobicContact CE2-CG2 3.71Å; V419-K421 HydrophobicContact CG1-CG 4.17Å
420I96.6Very high94.5Very high75 Ų7575.6 Ų75.639%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-80.1127.6173.8-55.6176.4000108.7N171 E172 L173N171-I420 PolarHBondContact O-N 3.07Å; E172-I420 CarbonylContact C-O 3.47Å; E172-I420 WeakPolarHBondContact CA-O 3.06Å; E172-I420 HydrophobicContact CG-CB 4.28Å; L173-I420 PolarHBondContact N-O 3.3Å
421K95.9Very high94.6Very high73 Ų7376.8 Ų76.832%0.31737%0.37SS..EExtended strand (participates in β ladder)trans-122129.4-174.6-60.1165.4-165.8175.30110.4L173 L405 D416 V419L173-K421 HydrophobicContact CB-CG 4.43Å; L173-K421 CarbonylContact O-C 3.59Å; L173-K421 WeakPolarHBondContact O-CA 3.31Å; L405-K421 HydrophobicContact CD2-CD 4.5Å; L405-K421 HydrophobicContact CD2-CG 4.5Å; L405-K421 PolarHBondContact O-NZ 2.86Å; D416-K421 VanDerWaalsContact CG-NZ 3.29Å; D416-K421 IonicContact OD1-NZ 3.71Å; D416-K421 PolarHBondContact OD1-NZ 3.19Å; V419-K421 HydrophobicContact CG1-CG 4.17Å
422W96.6Very high94.9Very high153 Ų15370 Ų7058%0.5834%0.34SS*.EExtended strand (participates in β ladder)trans-120.2142.3176.3-62.890000110L173 F174 L175L173-W422 PolarHBondContact O-N 3.44Å; F174-W422 HydrophobicContact CD1-CB 3.66Å; F174-W422 AromaticContact CD1-CD1 3.52Å; F174-W422 AromaticContact CD1-CG 3.71Å; F174-W422 HydrophobicContact CD1-CG 3.71Å; F174-W422 HydrophobicContact CE1-CB 4.21Å; F174-W422 AromaticContact CE1-CD1 3.2Å; F174-W422 HydrophobicContact CE1-CD2 4.48Å; F174-W422 AromaticContact CE1-CG 3.73Å; F174-W422 HydrophobicContact CE1-CG 3.73Å; F174-W422 AromaticContact CE1-NE1 3.68Å; F174-W422 HydrophobicContact CG-CB 4.41Å; F174-W422 AromaticContact CZ-CD1 3.87Å; L175-W422 PolarHBondContact N-O 3.02Å
423V96.4Very high95.2Very high71 Ų7169.1 Ų69.143%0.4333%0.334SS..EExtended strand (participates in β ladder)trans-133.2134.217163.40000109.7L175 V402 Y425L175-V423 HydrophobicContact CB-CB 4.44Å; L175-V423 HydrophobicContact CB-CG2 4.28Å; L175-V423 CarbonylContact O-C 3.48Å; L175-V423 VanDerWaalsContact O-CA 3.29Å; L175-V423 WeakPolarHBondContact O-CA 3.18Å; V402-V423 HydrophobicContact CB-CG2 4.48Å; V402-V423 HydrophobicContact CG2-CG2 3.86Å; V423-Y425 HydrophobicContact CG1-CE2 4.13Å; V423-Y425 HydrophobicContact CG2-CD2 4.36Å; V423-Y425 HydrophobicContact CG2-CE1 4.47Å; V423-Y425 HydrophobicContact CG2-CE2 3.69Å
424R96.1Very high95.4Very high129 Ų12962.2 Ų62.249%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-128.9146.8169.164.6177.1-176.3171.81.5110.7L175 D176 V177L175-R424 PolarHBondContact O-N 3.2Å; D176-R424 HydrophobicContact CB-CG 4.32Å; D176-R424 WeakPolarHBondContact OD1-CD 3.48Å; D176-R424 WeakPolarHBondContact OD1-CG 3.42Å; D176-R424 IonicContact OD1-CZ 2.65Å; D176-R424 IonicContact OD1-NE 3.69Å; D176-R424 PolarHBondContact OD1-NE 3.05Å; D176-R424 IonicContact OD1-NH2 3.43Å; D176-R424 IonicContact OD2-CZ 2.75Å; D176-R424 VanDerWaalsContact OD2-CZ 3.29Å; D176-R424 IonicContact OD2-NE 3.92Å; D176-R424 PolarHBondContact OD2-NE 2.96Å; D176-R424 VanDerWaalsContact OD2-NE 3.14Å; D176-R424 IonicContact OD2-NH2 3.7Å; D176-R424 PolarHBondContact OD2-NH2 3.22Å; V177-R424 PolarHBondContact N-O 2.85Å
425Y97.6Very high95.4Very high56 Ų5667.6 Ų67.622%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-117.7125.3179.2-59.8-93.3000108.8V177 P394 F395 A396 L400 V402 V423V177-Y425 HydrophobicContact CB-CD1 3.58Å; V177-Y425 HydrophobicContact CB-CE1 4Å; V177-Y425 HydrophobicContact CB-CG 4.37Å; V177-Y425 HydrophobicContact CG1-CD1 3.88Å; V177-Y425 HydrophobicContact CG1-CE1 4.3Å; V177-Y425 HydrophobicContact CG2-CD1 3.85Å; V177-Y425 HydrophobicContact CG2-CE1 3.72Å; P394-Y425 CarbonylContact C-O 3.57Å; P394-Y425 VanDerWaalsContact C-O 3.32Å; F395-Y425 PolarHBondContact N-O 2.81Å; A396-Y425 HydrophobicContact CB-CD1 3.88Å; L400-Y425 HydrophobicContact CD2-CE1 4.42Å; L400-Y425 VanDerWaalsContact O-CE1 3.3Å; L400-Y425 WeakPolarHBondContact O-CE1 3.22Å; V402-Y425 PolarHBondContact N-OH 3.15Å; V423-Y425 HydrophobicContact CG1-CE2 4.13Å; V423-Y425 HydrophobicContact CG2-CD2 4.36Å; V423-Y425 HydrophobicContact CG2-CE1 4.47Å; V423-Y425 HydrophobicContact CG2-CE2 3.69Å
426I97.7Very high95Very high34 Ų3467.4 Ų67.417%0.17432%0.315CS..EExtended strand (participates in β ladder)trans-134109.9-178.8-52.4177.6000108.7V177 L178 E179 E392V177-I426 PolarHBondContact O-N 3.34Å; L178-I426 WeakPolarHBondContact CA-O 3.36Å; L178-I426 HydrophobicContact CD2-CB 3.8Å; L178-I426 HydrophobicContact CD2-CD1 3.89Å; L178-I426 HydrophobicContact CD2-CG1 4.14Å; E179-I426 PolarHBondContact N-O 3.41Å; E392-I426 HydrophobicContact CG-CG2 3.77Å
427G97.7Very high95.2Very high0 Ų068.4 Ų68.40%032%0.318CS..EExtended strand (participates in β ladder)trans-91.7137.4168.300000109.7E179 E392 V393 F395E179-G427 CarbonylContact O-C 3.55Å; E179-G427 WeakPolarHBondContact O-CA 3.34Å; E392-G427 CarbonylContact C-O 3.58Å; E392-G427 WeakPolarHBondContact CA-O 3.46Å; V393-G427 WeakPolarHBondContact CG2-O 3.36Å; V393-G427 PolarHBondContact N-O 2.84Å; V393-G427 PolarHBondContact O-N 2.84Å; F395-G427 WeakPolarHBondContact O-CA 3.04Å; F395-G427 PolarHBondContact O-N 2.78Å
428R97.6Very high95.5Very high116 Ų11662.6 Ų62.644%0.43829%0.291SS..EExtended strand (participates in β ladder)trans-134.8160.4173.957.7177.9179.4-174.53.8110.2E179 S180 V181 F391E179-R428 VanDerWaalsContact O-CG 3.28Å; E179-R428 WeakPolarHBondContact O-CG 3.41Å; E179-R428 PolarHBondContact O-N 3Å; S180-R428 CarbonylContact C-O 3.5Å; S180-R428 WeakPolarHBondContact CA-O 3.37Å; V181-R428 PolarHBondContact N-O 3.17Å; F391-R428 WeakPolarHBondContact O-CA 3.3Å
429S96.5Very high95.6Very high16 Ų1661.2 Ų61.211%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-61.9137.6164.853.30000110.4M389 N390 F391M389-S429 VanDerWaalsContact O-CB 3.26Å; M389-S429 WeakPolarHBondContact O-CB 3.28Å; N390-S429 VanDerWaalsContact CA-OG 3.23Å; N390-S429 WeakPolarHBondContact CA-OG 3.29Å; N390-S429 PolarHBondContact OD1-OG 3.33Å; F391-S429 PolarHBondContact N-OG 2.86Å; F391-S429 PolarHBondContact O-N 3.42Å
430G95Very high95.6Very high25 Ų2564.2 Ų64.226%0.25830%0.295SS..EExtended strand (participates in β ladder)trans-96.6-118.2154.800000108.5S180 V181 N182 Y432S180-G430 WeakPolarHBondContact OG-CA 3.48Å; S180-G430 PolarHBondContact OG-N 2.88Å; V181-G430 PolarHBondContact O-N 2.85Å; N182-G430 WeakPolarHBondContact OD1-CA 3.41Å; G430-Y432 PolarHBondContact O-N 2.88Å
431I94.5Very high95.5Very high109 Ų10963.6 Ų63.656%0.55929%0.289SS*.EExtended strand (participates in β ladder)trans-82.196.8167.3-57.1173.3000107.6N182 L183 E433N182-I431 CarbonylContact C-O 3.54Å; N182-I431 VanDerWaalsContact CA-O 3.25Å; N182-I431 WeakPolarHBondContact CA-O 3.4Å; N182-I431 PolarHBondContact OD1-N 2.76Å; L183-I431 PolarHBondContact N-O 2.61Å; L183-I431 VanDerWaalsContact O-O 3.05Å; I431-E433 HydrophobicContact CG2-CG 3.99Å
432Y97.1Very high95.5Very high4 Ų462.9 Ų62.92%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-115.291.9-177.8-155.1-82.5000110.5V181 L183 F288 S388 M389 F391 G430V181-Y432 HydrophobicContact CB-CD2 4.24Å; V181-Y432 HydrophobicContact CB-CE2 4.28Å; V181-Y432 HydrophobicContact CG1-CD2 4.1Å; V181-Y432 HydrophobicContact CG1-CE2 3.81Å; L183-Y432 HydrophobicContact CB-CD1 4.45Å; L183-Y432 HydrophobicContact CB-CD2 3.61Å; L183-Y432 HydrophobicContact CB-CE1 4.49Å; L183-Y432 HydrophobicContact CB-CE2 3.64Å; L183-Y432 HydrophobicContact CB-CG 4.05Å; L183-Y432 HydrophobicContact CD2-CD1 4.11Å; L183-Y432 HydrophobicContact CD2-CD2 4.33Å; L183-Y432 HydrophobicContact CD2-CE1 3.49Å; L183-Y432 VanDerWaalsContact CD2-CE1 3.49Å; L183-Y432 HydrophobicContact CD2-CE2 3.75Å; L183-Y432 WeakPolarHBondContact CD2-OH 3.39Å; L183-Y432 HydrophobicContact CG-CE2 4.31Å; F288-Y432 HydrophobicContact CB-CE1 4.41Å; F288-Y432 PolarHBondContact N-OH 2.98Å; F288-Y432 PolarHBondContact O-OH 3.31Å; S388-Y432 WeakPolarHBondContact CA-O 3.39Å; M389-Y432 HydrophobicContact CB-CD1 4.05Å; M389-Y432 PolarHBondContact N-O 3Å; M389-Y432 WeakPolarHBondContact O-CB 3.46Å; F391-Y432 HydrophobicContact CE1-CD1 4.11Å; F391-Y432 AromaticContact CE1-CD2 3.72Å; F391-Y432 HydrophobicContact CE1-CD2 3.72Å; F391-Y432 HydrophobicContact CE1-CE1 4.22Å; F391-Y432 AromaticContact CE1-CE2 3.84Å; F391-Y432 HydrophobicContact CE1-CE2 3.84Å; F391-Y432 AromaticContact CE1-CG 3.84Å; F391-Y432 HydrophobicContact CE1-CG 3.84Å; F391-Y432 AromaticContact CZ-CD2 3.91Å; F391-Y432 HydrophobicContact CZ-CD2 3.91Å; F391-Y432 AromaticContact CZ-CE2 3.84Å; F391-Y432 HydrophobicContact CZ-CE2 3.84Å; F391-Y432 HydrophobicContact CZ-CG 4.48Å; G430-Y432 PolarHBondContact O-N 2.88Å
433E96.9Very high95.4Very high64 Ų6456.5 Ų56.530%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-127.3141-164.8-72.7-173.8171.800112.5L183 L184 M185 P386 I387 I431L183-E433 PolarHBondContact O-N 3.3Å; L184-E433 CarbonylContact C-O 3.58Å; L184-E433 WeakPolarHBondContact CA-O 3.17Å; L184-E433 HydrophobicContact CD1-CB 4.31Å; M185-E433 PolarHBondContact N-O 3.27Å; P386-E433 HydrophobicContact CB-CB 3.98Å; P386-E433 HydrophobicContact CB-CG 4.41Å; P386-E433 HydrophobicContact CG-CB 4.25Å; P386-E433 HydrophobicContact CG-CG 4.27Å; P386-E433 WeakPolarHBondContact CG-OE2 3.46Å; I387-E433 CarbonylContact O-C 3.57Å; I387-E433 WeakPolarHBondContact O-CA 3.11Å; I431-E433 HydrophobicContact CG2-CG 3.99Å
434T95.9Very high95.4Very high1 Ų155.4 Ų55.41%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-127.5122.6174.1-54.90000109.3M185 P292 P386 I387M185-T434 HydrophobicContact CB-CG2 4.09Å; M185-T434 HydrophobicContact CE-CG2 3.59Å; M185-T434 WeakPolarHBondContact CE-OG1 3.27Å; M185-T434 HydrophobicContact CG-CG2 4.43Å; M185-T434 WeakPolarHBondContact O-CA 3.4Å; P292-T434 HydrophobicContact CG-CG2 3.85Å; P386-T434 CarbonylContact C-O 3.52Å; P386-T434 WeakPolarHBondContact CA-O 3.37Å; P386-T434 WeakPolarHBondContact CB-O 3.48Å; I387-T434 PolarHBondContact N-O 2.77Å; I387-T434 PolarHBondContact O-N 2.86Å
435R93.1Very high95.3Very high131 Ų13149.3 Ų49.349%0.49423%0.234SC..  trans-67151.3176.8-66.7-179.5177.3175.3-1.2110.5L184 M185 P187 P292L184-R435 HydrophobicContact CD1-CG 4.17Å; M185-R435 PolarHBondContact O-N 2.96Å; P187-R435 VanDerWaalsContact CA-O 3.25Å; P187-R435 WeakPolarHBondContact CA-O 3.25Å; P187-R435 HydrophobicContact CG-CB 3.98Å; P187-R435 WeakPolarHBondContact CG-O 3.1Å; P292-R435 WeakPolarHBondContact CG-O 3.38Å
436C84.1Confident95.1Very high35 Ų3548.6 Ų48.624%0.23624%0.236CC..  trans-138.10-178.355.20000113P292 V294 R384 P385P292-C436 HydrophobicContact CB-CB 3.86Å; P292-C436 HydrophobicContact CG-CB 4.08Å; V294-C436 HydrophobicContact CG2-CB 3.96Å; R384-C436 WeakPolarHBondContact CB-O 3.31Å; R384-C436 VanDerWaalsContact CD-O 3.28Å; R384-C436 WeakPolarHBondContact CD-O 3.42Å; R384-C436 VanDerWaalsContact CD-OXT 3.3Å; R384-C436 WeakPolarHBondContact CD-OXT 3.18Å; R384-C436 PolarHBondContact NH1-OXT 2.78Å; P385-C436 PolarHBondContact O-SG 2.82Å

Retrieved 436 of 436 residues in 2205.3 ms (Link to these results)

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