A0A077ZCC1_TRITR Loading...

Peptide chain release factor RF3 (GTP-binding sub unit), Rhodoplastic

AlphaFold DB , UniProt , Accession A0A077ZCC1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 538 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
1M39.8Very low62.9Low235 Ų235105.5 Ų105.5100%1.15854%0.537SS*.  0135.20-82.1168.7160.500107.7
2P49.2Very low64.6Low108 Ų108102.2 Ų102.270%0.70152%0.521SS*.PPolyproline II helixtrans-61.4141.2166.626.1-30.6000109.2
3L50.7Low66.4Low89 Ų8998.7 Ų98.747%0.46651%0.511SS..PPolyproline II helixtrans-56.1139.5176.6-68.2166.3000110.2E7 R8L3-E7 VanDerWaalsContact CA-OE2 3.23Å; L3-E7 WeakPolarHBondContact CA-OE2 3.23Å; L3-E7 HydrophobicContact CB-CB 3.91Å; L3-E7 HydrophobicContact CD2-CB 3.85Å; L3-E7 HydrophobicContact CD2-CG 4.42Å; L3-E7 WeakPolarHBondContact CD2-OE2 3.47Å; L3-E7 HydrophobicContact CG-CB 4.39Å; L3-R8 HydrophobicContact CB-CG 3.68Å; L3-R8 HydrophobicContact CD1-CG 4.34Å; L3-R8 PolarHBondContact O-NE 2.88Å; L3-R8 VanDerWaalsContact O-NE 3.13Å
4T62.9Low68.1Low74 Ų7498.9 Ų98.945%0.45452%0.522SS..PPolyproline II helixtrans-60159.9170.868.90000110.1E6 E7 R8T4-E6 PolarHBondContact O-N 3.35Å; T4-E7 PolarHBondContact N-OE2 3.29Å; T4-E7 PolarHBondContact O-N 2.94Å; T4-E7 VanDerWaalsContact O-N 3.16Å; T4-E7 VanDerWaalsContact OG1-CG 3.27Å; T4-E7 WeakPolarHBondContact OG1-CG 3.43Å; T4-E7 PolarHBondContact OG1-N 3.26Å; T4-E7 VanDerWaalsContact OG1-N 3.16Å; T4-R8 WeakPolarHBondContact O-CG 3.35Å; T4-R8 PolarHBondContact O-N 2.72Å
5Q65.7Low69.8Low71 Ų7194.7 Ų94.733%0.33250%0.497SS..Hα-helixtrans-56-39.7177.5-173.3170.520.900111.3R8 I9Q5-R8 PolarHBondContact O-N 2.85Å; Q5-I9 HydrophobicContact CG-CD1 4.07Å; Q5-I9 VanDerWaalsContact O-CG1 3.22Å; Q5-I9 WeakPolarHBondContact O-CG1 3.21Å; Q5-I9 PolarHBondContact O-N 3.15Å
6E64Low71.3Confident98 Ų9892.1 Ų92.146%0.45848%0.483SS..Hα-helixtrans-60.7-50.2174.9-163.4-170.616800111.9T4 R8 I9 M10T4-E6 PolarHBondContact O-N 3.35Å; E6-R8 VanDerWaalsContact C-N 3.31Å; E6-R8 PolarHBondContact O-N 3.01Å; E6-I9 PolarHBondContact O-N 3.11Å; E6-I9 VanDerWaalsContact O-N 3.13Å; E6-M10 HydrophobicContact CG-CE 3.86Å; E6-M10 WeakPolarHBondContact O-CG 3.26Å; E6-M10 PolarHBondContact O-N 2.92Å; E6-M10 VanDerWaalsContact OE1-CE 3.25Å; E6-M10 WeakPolarHBondContact OE1-CE 3.21Å
7E69Low72.6Confident93 Ų9389.5 Ų89.544%0.43547%0.468SS..Hα-helixtrans-61.7-38.3178.6-73.4172.7152.400112.2L3 T4 M10 T11L3-E7 VanDerWaalsContact CA-OE2 3.23Å; L3-E7 WeakPolarHBondContact CA-OE2 3.23Å; L3-E7 HydrophobicContact CB-CB 3.91Å; L3-E7 HydrophobicContact CD2-CB 3.85Å; L3-E7 HydrophobicContact CD2-CG 4.42Å; L3-E7 WeakPolarHBondContact CD2-OE2 3.47Å; L3-E7 HydrophobicContact CG-CB 4.39Å; T4-E7 PolarHBondContact N-OE2 3.29Å; T4-E7 PolarHBondContact O-N 2.94Å; T4-E7 VanDerWaalsContact O-N 3.16Å; T4-E7 VanDerWaalsContact OG1-CG 3.27Å; T4-E7 WeakPolarHBondContact OG1-CG 3.43Å; T4-E7 PolarHBondContact OG1-N 3.26Å; T4-E7 VanDerWaalsContact OG1-N 3.16Å; E7-M10 PolarHBondContact O-N 2.8Å; E7-T11 WeakPolarHBondContact O-CG2 3.26Å; E7-T11 PolarHBondContact O-N 2.75Å
8R67.7Low73.8Confident141 Ų14187.2 Ų87.253%0.53245%0.454SS..Hα-helixtrans-64-44.5174.3-68.9-177.7-164.5-158.42.3111.2L3 T4 Q5 E6 M10 T11L3-R8 HydrophobicContact CB-CG 3.68Å; L3-R8 HydrophobicContact CD1-CG 4.34Å; L3-R8 PolarHBondContact O-NE 2.88Å; L3-R8 VanDerWaalsContact O-NE 3.13Å; T4-R8 WeakPolarHBondContact O-CG 3.35Å; T4-R8 PolarHBondContact O-N 2.72Å; Q5-R8 PolarHBondContact O-N 2.85Å; E6-R8 VanDerWaalsContact C-N 3.31Å; E6-R8 PolarHBondContact O-N 3.01Å; R8-M10 VanDerWaalsContact C-N 3.33Å; R8-M10 PolarHBondContact O-N 2.88Å; R8-T11 PolarHBondContact O-N 2.98Å; R8-T11 PolarHBondContact O-OG1 2.8Å
9I70.8Confident74.9Confident27 Ų2783.2 Ų83.214%0.13843%0.434CS..Hα-helixtrans-60.9-44.4177.8-70.4168.8000109.8Q5 E6 T11 L12 Q17 A20Q5-I9 HydrophobicContact CG-CD1 4.07Å; Q5-I9 VanDerWaalsContact O-CG1 3.22Å; Q5-I9 WeakPolarHBondContact O-CG1 3.21Å; Q5-I9 PolarHBondContact O-N 3.15Å; E6-I9 PolarHBondContact O-N 3.11Å; E6-I9 VanDerWaalsContact O-N 3.13Å; I9-T11 PolarHBondContact O-N 3.36Å; I9-T11 VanDerWaalsContact O-N 3.07Å; I9-L12 VanDerWaalsContact O-CB 3.26Å; I9-L12 WeakPolarHBondContact O-CB 3.1Å; I9-L12 PolarHBondContact O-N 2.81Å; I9-Q17 HydrophobicContact CG2-CB 4.05Å; I9-Q17 HydrophobicContact CG2-CG 3.89Å; I9-Q17 WeakPolarHBondContact O-CG 3.41Å; I9-A20 HydrophobicContact CD1-CB 4.2Å; I9-A20 HydrophobicContact CG1-CB 3.88Å
10M74.4Confident75.9Confident119 Ų11979.9 Ų79.959%0.58642%0.419SS*.Hα-helixtrans-60.8-21.9-179.7-67.5-157.1-157.200114.5E6 E7 R8 L12 Q17E6-M10 HydrophobicContact CG-CE 3.86Å; E6-M10 WeakPolarHBondContact O-CG 3.26Å; E6-M10 PolarHBondContact O-N 2.92Å; E6-M10 VanDerWaalsContact OE1-CE 3.25Å; E6-M10 WeakPolarHBondContact OE1-CE 3.21Å; E7-M10 PolarHBondContact O-N 2.8Å; R8-M10 VanDerWaalsContact C-N 3.33Å; R8-M10 PolarHBondContact O-N 2.88Å; M10-L12 VanDerWaalsContact C-N 3.3Å; M10-Q17 PolarHBondContact O-NE2 3.23Å
11T78.3Confident76.8Confident106 Ų10678.9 Ų78.965%0.6541%0.411SS*.THydrogen-bonded Turntrans-78-13.4174.769.90000114.2E7 R8 I9E7-T11 WeakPolarHBondContact O-CG2 3.26Å; E7-T11 PolarHBondContact O-N 2.75Å; R8-T11 PolarHBondContact O-N 2.98Å; R8-T11 PolarHBondContact O-OG1 2.8Å; I9-T11 PolarHBondContact O-N 3.36Å; I9-T11 VanDerWaalsContact O-N 3.07Å
12L82.5Confident79.5Confident65 Ų6568.3 Ų68.334%0.3436%0.359SS..SBendtrans-80.7160.1-179.5-61174.4000111.4I9 M10 L16 Q17 A20I9-L12 VanDerWaalsContact O-CB 3.26Å; I9-L12 WeakPolarHBondContact O-CB 3.1Å; I9-L12 PolarHBondContact O-N 2.81Å; M10-L12 VanDerWaalsContact C-N 3.3Å; L12-L16 HydrophobicContact CB-CB 3.82Å; L12-L16 HydrophobicContact CD1-CB 4.23Å; L12-L16 HydrophobicContact CD2-CB 4.47Å; L12-L16 HydrophobicContact CD2-CD1 4.39Å; L12-L16 HydrophobicContact CG-CB 4.41Å; L12-Q17 HydrophobicContact CB-CG 3.97Å; L12-Q17 PolarHBondContact O-NE2 2.7Å; L12-A20 HydrophobicContact CD1-CB 4.06Å
13S88.5Confident81.8Confident57 Ų5763.4 Ų63.440%0.39933%0.326SS..  trans-61.1155.1169.371.50000110.5Y15 L16 Q17S13-Y15 PolarHBondContact O-N 3.32Å; S13-Y15 VanDerWaalsContact O-N 3.1Å; S13-L16 PolarHBondContact O-N 3.16Å; S13-L16 WeakPolarHBondContact OG-CG 3.48Å; S13-L16 PolarHBondContact OG-N 3.03Å; S13-Q17 WeakPolarHBondContact O-CG 3.27Å; S13-Q17 PolarHBondContact O-N 3.07Å
14P90.5Very high83.9Confident102 Ų10259.3 Ų59.366%0.66231%0.305SS*.Hα-helixtrans-52.7-37.2179.8-28.735.4000113.7Q17 E18P14-Q17 WeakPolarHBondContact O-CB 3.39Å; P14-Q17 PolarHBondContact O-N 3.16Å; P14-E18 WeakPolarHBondContact O-CG 3.25Å; P14-E18 PolarHBondContact O-N 2.94Å; P14-E18 VanDerWaalsContact O-N 3.17Å
15Y92.9Very high85.5Confident36 Ų3655.8 Ų55.814%0.14128%0.283CS..Hα-helixtrans-63.3-49.3174.8171.4-103000112.4S13 Q17 E18 V19 A300 E302 G332 Y369 P370S13-Y15 PolarHBondContact O-N 3.32Å; S13-Y15 VanDerWaalsContact O-N 3.1Å; Y15-Q17 VanDerWaalsContact C-N 3.28Å; Y15-Q17 PolarHBondContact O-N 3.25Å; Y15-E18 WeakPolarHBondContact O-CB 3.37Å; Y15-E18 PolarHBondContact O-N 3.13Å; Y15-E18 VanDerWaalsContact O-N 3.14Å; Y15-V19 HydrophobicContact CD1-CG2 4.44Å; Y15-V19 HydrophobicContact CE1-CG2 3.96Å; Y15-V19 HydrophobicContact CE2-CG2 4.29Å; Y15-V19 WeakPolarHBondContact O-CG2 3.44Å; Y15-V19 PolarHBondContact O-N 2.9Å; Y15-A300 PolarHBondContact OH-O 2.52Å; Y15-E302 PolarHBondContact OH-O 3.21Å; Y15-E302 VanDerWaalsContact OH-O 3.08Å; Y15-G332 WeakPolarHBondContact OH-CA 3.46Å; Y15-G332 PolarHBondContact OH-N 3.31Å; Y15-Y369 AromaticContact CD2-CD1 3.86Å; Y15-Y369 HydrophobicContact CD2-CD1 3.86Å; Y15-Y369 AromaticContact CD2-CE1 3.96Å; Y15-Y369 HydrophobicContact CD2-CE1 3.96Å; Y15-Y369 HydrophobicContact CE2-CD1 4.01Å; Y15-P370 VanDerWaalsContact OH-CG 3.26Å; Y15-P370 WeakPolarHBondContact OH-CG 3.41Å
16L93.7Very high86.8Confident52 Ų5252.4 Ų52.427%0.27227%0.267SS..Hα-helixtrans-69.7-27.5-179.7-69.9179.5000112.4L12 S13 V19 A20L12-L16 HydrophobicContact CB-CB 3.82Å; L12-L16 HydrophobicContact CD1-CB 4.23Å; L12-L16 HydrophobicContact CD2-CB 4.47Å; L12-L16 HydrophobicContact CD2-CD1 4.39Å; L12-L16 HydrophobicContact CG-CB 4.41Å; S13-L16 PolarHBondContact O-N 3.16Å; S13-L16 WeakPolarHBondContact OG-CG 3.48Å; S13-L16 PolarHBondContact OG-N 3.03Å; L16-V19 PolarHBondContact O-N 3.01Å; L16-A20 VanDerWaalsContact O-CB 3.25Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 3.16Å
17Q93.1Very high88.2Confident49 Ų4947.7 Ų47.723%0.22925%0.245CC..Hα-helixtrans-61.2-46169-71.318012.100111I9 M10 L12 S13 P14 Y15 A20 K21I9-Q17 HydrophobicContact CG2-CB 4.05Å; I9-Q17 HydrophobicContact CG2-CG 3.89Å; I9-Q17 WeakPolarHBondContact O-CG 3.41Å; M10-Q17 PolarHBondContact O-NE2 3.23Å; L12-Q17 HydrophobicContact CB-CG 3.97Å; L12-Q17 PolarHBondContact O-NE2 2.7Å; S13-Q17 WeakPolarHBondContact O-CG 3.27Å; S13-Q17 PolarHBondContact O-N 3.07Å; P14-Q17 WeakPolarHBondContact O-CB 3.39Å; P14-Q17 PolarHBondContact O-N 3.16Å; Y15-Q17 VanDerWaalsContact C-N 3.28Å; Y15-Q17 PolarHBondContact O-N 3.25Å; Q17-A20 PolarHBondContact O-N 3.46Å; Q17-K21 VanDerWaalsContact O-CG 3.3Å; Q17-K21 WeakPolarHBondContact O-CG 3.25Å; Q17-K21 PolarHBondContact O-N 2.69Å
18E94.9Very high89.3Confident47 Ų4743.4 Ų43.422%0.2223%0.225CC..Hα-helixtrans-61.4-49176.3-69-57.8116.500110.6P14 Y15 A20 K21 R22 Y369P14-E18 WeakPolarHBondContact O-CG 3.25Å; P14-E18 PolarHBondContact O-N 2.94Å; P14-E18 VanDerWaalsContact O-N 3.17Å; Y15-E18 WeakPolarHBondContact O-CB 3.37Å; Y15-E18 PolarHBondContact O-N 3.13Å; Y15-E18 VanDerWaalsContact O-N 3.14Å; E18-A20 VanDerWaalsContact C-N 3.29Å; E18-A20 PolarHBondContact O-N 3.4Å; E18-K21 PolarHBondContact O-N 2.82Å; E18-K21 IonicContact OE1-NZ 2.8Å; E18-K21 PolarHBondContact OE1-NZ 2.94Å; E18-R22 WeakPolarHBondContact O-CD 3.4Å; E18-R22 PolarHBondContact O-NH1 2.88Å; E18-R22 IonicContact OE2-CZ 3.97Å; E18-R22 VanDerWaalsContact OE2-CZ 3.26Å; E18-R22 IonicContact OE2-NH1 3.47Å; E18-R22 PolarHBondContact OE2-NH1 2.96Å; E18-R22 IonicContact OE2-NH2 3.94Å; E18-R22 PolarHBondContact OE2-NH2 3.24Å; E18-Y369 HydrophobicContact CB-CD1 3.55Å; E18-Y369 HydrophobicContact CB-CD2 4.14Å; E18-Y369 HydrophobicContact CB-CE1 3.69Å; E18-Y369 HydrophobicContact CB-CE2 4.27Å; E18-Y369 HydrophobicContact CB-CG 3.77Å; E18-Y369 HydrophobicContact CG-CD1 4.23Å; E18-Y369 HydrophobicContact CG-CD2 4.45Å; E18-Y369 HydrophobicContact CG-CE1 3.86Å; E18-Y369 HydrophobicContact CG-CE2 4.11Å; E18-Y369 HydrophobicContact CG-CG 4.5Å
19V95Very high90.3Very high11 Ų1136.9 Ų36.97%0.06720%0.201CC..Hα-helixtrans-53.1-47.4174.9177.20000111.7Y15 L16 K21 R22 P288 A300 P370Y15-V19 HydrophobicContact CD1-CG2 4.44Å; Y15-V19 HydrophobicContact CE1-CG2 3.96Å; Y15-V19 HydrophobicContact CE2-CG2 4.29Å; Y15-V19 WeakPolarHBondContact O-CG2 3.44Å; Y15-V19 PolarHBondContact O-N 2.9Å; L16-V19 PolarHBondContact O-N 3.01Å; V19-K21 VanDerWaalsContact C-N 3.26Å; V19-K21 PolarHBondContact O-N 3.3Å; V19-R22 PolarHBondContact O-N 3.31Å; V19-P288 HydrophobicContact CG1-CB 4.42Å; V19-P288 HydrophobicContact CG1-CG 4.12Å; V19-P288 VanDerWaalsContact O-CD 3.24Å; V19-P288 WeakPolarHBondContact O-CD 3.28Å; V19-A300 HydrophobicContact CG1-CB 3.87Å; V19-P370 HydrophobicContact CG1-CB 4.39Å; V19-P370 HydrophobicContact CG2-CB 4.17Å; V19-P370 HydrophobicContact CG2-CG 3.9Å
20A94.4Very high91.2Very high17 Ų1737.5 Ų37.514%0.1420%0.204CC..Hα-helixtrans-67.2-21-175.100000114.4I9 L12 L16 Q17 E18 R23I9-A20 HydrophobicContact CD1-CB 4.2Å; I9-A20 HydrophobicContact CG1-CB 3.88Å; L12-A20 HydrophobicContact CD1-CB 4.06Å; L16-A20 VanDerWaalsContact O-CB 3.25Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 3.16Å; Q17-A20 PolarHBondContact O-N 3.46Å; E18-A20 VanDerWaalsContact C-N 3.29Å; E18-A20 PolarHBondContact O-N 3.4Å; A20-R23 PolarHBondContact O-NH1 3.46Å; A20-R23 PolarHBondContact O-NH2 2.86Å
21K94.8Very high91.6Very high59 Ų5933.6 Ų33.626%0.25719%0.187SC..Hα-helixtrans-80-21176.7-68.3170.2-169.7169.50113.5Q17 E18 V19 D90 C91 L92Q17-K21 VanDerWaalsContact O-CG 3.3Å; Q17-K21 WeakPolarHBondContact O-CG 3.25Å; Q17-K21 PolarHBondContact O-N 2.69Å; E18-K21 PolarHBondContact O-N 2.82Å; E18-K21 IonicContact OE1-NZ 2.8Å; E18-K21 PolarHBondContact OE1-NZ 2.94Å; V19-K21 VanDerWaalsContact C-N 3.26Å; V19-K21 PolarHBondContact O-N 3.3Å; K21-D90 WeakPolarHBondContact CG-O 3.22Å; K21-C91 CarbonylContact O-C 3.53Å; K21-C91 VanDerWaalsContact O-CA 3.28Å; K21-C91 WeakPolarHBondContact O-CA 3.24Å; K21-C91 WeakPolarHBondContact O-CB 3.45Å; K21-L92 PolarHBondContact O-N 3.44Å
22R96.6Very high91.9Very high13 Ų1334 Ų345%0.04919%0.185CC..EExtended strand (participates in β ladder)trans-78132.8-175-80.882.6-177.7139.2-3.1111.3E18 V19 L92 P288 D372E18-R22 WeakPolarHBondContact O-CD 3.4Å; E18-R22 PolarHBondContact O-NH1 2.88Å; E18-R22 IonicContact OE2-CZ 3.97Å; E18-R22 VanDerWaalsContact OE2-CZ 3.26Å; E18-R22 IonicContact OE2-NH1 3.47Å; E18-R22 PolarHBondContact OE2-NH1 2.96Å; E18-R22 IonicContact OE2-NH2 3.94Å; E18-R22 PolarHBondContact OE2-NH2 3.24Å; V19-R22 PolarHBondContact O-N 3.31Å; R22-L92 WeakPolarHBondContact CA-O 3.42Å; R22-P288 HydrophobicContact CB-CG 4.13Å; R22-D372 WeakPolarHBondContact CG-OD1 3.42Å; R22-D372 IonicContact CZ-OD2 2.72Å; R22-D372 IonicContact NE-OD1 3.36Å; R22-D372 PolarHBondContact NE-OD1 3.42Å; R22-D372 IonicContact NE-OD2 3.17Å; R22-D372 PolarHBondContact NE-OD2 3.48Å; R22-D372 IonicContact NH2-OD2 2.8Å
23R96.7Very high92.3Very high6 Ų630.9 Ų30.92%0.02317%0.169CC..EExtended strand (participates in β ladder)trans-125.2114.4169.2-63.3-66177-86.2-8.7108.6A20 C91 L92 V93 N94 L281 V282 A285 P286A20-R23 PolarHBondContact O-NH1 3.46Å; A20-R23 PolarHBondContact O-NH2 2.86Å; R23-C91 HydrophobicContact CG-CB 4.36Å; R23-L92 PolarHBondContact N-O 3.19Å; R23-V93 CarbonylContact O-C 3.56Å; R23-V93 WeakPolarHBondContact O-CA 3.37Å; R23-N94 PolarHBondContact O-N 3.09Å; R23-L281 HydrophobicContact CB-CD2 4.32Å; R23-V282 PolarHBondContact NE-O 3.16Å; R23-V282 VanDerWaalsContact NE-O 3.13Å; R23-A285 VanDerWaalsContact CD-O 3.26Å; R23-A285 WeakPolarHBondContact CD-O 3.15Å; R23-A285 PolarHBondContact NE-O 2.77Å; R23-P286 WeakPolarHBondContact CD-O 3.42Å
24T96Very high92.3Very high2 Ų228.7 Ų28.71%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-115.2116.6-176.3-44.50000110.1N94 L96 V115 D116 C117 R328 G371 I373T24-N94 CarbonylContact C-O 3.56Å; T24-N94 WeakPolarHBondContact CA-O 3.46Å; T24-N94 HydrophobicContact CG2-CB 3.62Å; T24-L96 HydrophobicContact CG2-CD1 3.69Å; T24-V115 HydrophobicContact CG2-CG1 4.33Å; T24-D116 WeakPolarHBondContact CB-OD2 3.14Å; T24-D116 PolarHBondContact O-N 3.5Å; T24-C117 PolarHBondContact O-N 3.4Å; T24-R328 PolarHBondContact OG1-NH1 3.34Å; T24-G371 PolarHBondContact OG1-O 2.89Å; T24-I373 HydrophobicContact CG2-CD1 4.5Å
25F95.8Very high92.2Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-139.1156.1-173.782.2-75.3000112.6I27 V42 V93 N94 L95 L96 C117 L119 L281F25-I27 HydrophobicContact CD2-CG1 4.34Å; F25-I27 HydrophobicContact CE2-CD1 4.22Å; F25-I27 HydrophobicContact CE2-CG1 3.69Å; F25-V42 HydrophobicContact CZ-CG1 4.4Å; F25-V93 HydrophobicContact CD1-CG1 3.83Å; F25-V93 HydrophobicContact CE1-CG1 3.4Å; F25-V93 VanDerWaalsContact CE1-CG1 3.4Å; F25-N94 PolarHBondContact N-O 3.44Å; F25-L95 HydrophobicContact CD2-CD1 4.39Å; F25-L95 HydrophobicContact CE1-CB 3.99Å; F25-L95 HydrophobicContact CE1-CD1 4.1Å; F25-L95 HydrophobicContact CE2-CD1 3.81Å; F25-L95 HydrophobicContact CZ-CB 4.26Å; F25-L95 HydrophobicContact CZ-CD1 3.65Å; F25-L95 HydrophobicContact CZ-CG 4.36Å; F25-L96 PolarHBondContact O-N 3.18Å; F25-C117 WeakPolarHBondContact CA-O 3.21Å; F25-C117 HydrophobicContact CB-CB 4.13Å; F25-C117 WeakPolarHBondContact CB-O 3.29Å; F25-L119 HydrophobicContact CD2-CB 3.95Å; F25-L119 HydrophobicContact CE2-CB 3.93Å; F25-L119 HydrophobicContact CE2-CD2 4.28Å; F25-L281 HydrophobicContact CB-CD1 4.47Å; F25-L281 HydrophobicContact CD1-CD1 3.98Å; F25-L281 HydrophobicContact CD1-CD2 4.12Å; F25-L281 HydrophobicContact CD2-CD1 3.67Å; F25-L281 HydrophobicContact CE1-CD1 4.06Å; F25-L281 HydrophobicContact CE1-CD2 4.35Å; F25-L281 HydrophobicContact CE2-CD1 3.72Å; F25-L281 HydrophobicContact CG-CD1 3.78Å; F25-L281 HydrophobicContact CZ-CD1 3.91Å
26A94.1Very high91.8Very high0 Ų025.8 Ų25.80%014%0.139CC..EExtended strand (participates in β ladder)trans-111.2151.4171.300000110.7L96 T98 L112 V115 C117 C118 L119A26-L96 VanDerWaalsContact CA-O 3.23Å; A26-L96 WeakPolarHBondContact CA-O 3.44Å; A26-L96 WeakPolarHBondContact CB-O 3.31Å; A26-T98 HydrophobicContact CB-CG2 3.96Å; A26-L112 HydrophobicContact CB-CD2 3.75Å; A26-V115 HydrophobicContact CB-CB 4.44Å; A26-V115 HydrophobicContact CB-CG1 3.83Å; A26-V115 HydrophobicContact CB-CG2 4.11Å; A26-C117 PolarHBondContact N-O 3.37Å; A26-C117 VanDerWaalsContact N-O 3.12Å; A26-C118 CarbonylContact O-C 3.58Å; A26-C118 WeakPolarHBondContact O-CA 3.38Å; A26-L119 PolarHBondContact O-N 3.22Å
27I92.6Very high91.5Very high0 Ų025.4 Ų25.40%014%0.139CC..EExtended strand (participates in β ladder)trans-97.7126168.5-56.6171.5000108F25 K35 I38 T39 L95 T98 L119 V121F25-I27 HydrophobicContact CD2-CG1 4.34Å; F25-I27 HydrophobicContact CE2-CD1 4.22Å; F25-I27 HydrophobicContact CE2-CG1 3.69Å; I27-K35 HydrophobicContact CB-CG 4.23Å; I27-K35 HydrophobicContact CG2-CD 4.47Å; I27-K35 HydrophobicContact CG2-CG 3.75Å; I27-I38 HydrophobicContact CD1-CG2 4.04Å; I27-I38 HydrophobicContact CG2-CG2 4.06Å; I27-T39 WeakPolarHBondContact CD1-OG1 3.3Å; I27-L95 HydrophobicContact CD1-CD1 3.55Å; I27-L95 HydrophobicContact CD1-CD2 4.16Å; I27-L95 HydrophobicContact CG1-CD1 3.59Å; I27-T98 PolarHBondContact O-OG1 2.78Å; I27-L119 WeakPolarHBondContact CA-O 3.42Å; I27-L119 HydrophobicContact CD1-CD2 4.4Å; I27-L119 HydrophobicContact CG1-CB 4.25Å; I27-L119 HydrophobicContact CG1-CD2 4.14Å; I27-V121 HydrophobicContact CG2-CG2 3.61Å
28I91.7Very high91.4Very high2 Ų223.1 Ų23.11%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-119.6135.8177.762.3175.7000109.6L112 C118 L119 M120 V121 L135 T139I28-L112 HydrophobicContact CG2-CD1 4.41Å; I28-L112 HydrophobicContact CG2-CD2 3.78Å; I28-C118 HydrophobicContact CD1-CB 4Å; I28-C118 HydrophobicContact CG1-CB 4.31Å; I28-L119 PolarHBondContact N-O 3.27Å; I28-M120 HydrophobicContact CD1-CB 4.26Å; I28-M120 HydrophobicContact CG1-CB 4Å; I28-M120 HydrophobicContact CG1-CG 4.36Å; I28-M120 WeakPolarHBondContact O-CA 3.35Å; I28-V121 PolarHBondContact O-N 2.95Å; I28-L135 HydrophobicContact CB-CB 4.38Å; I28-L135 HydrophobicContact CB-CD1 4Å; I28-L135 HydrophobicContact CD1-CB 4.35Å; I28-T139 HydrophobicContact CD1-CG2 3.97Å
29S90.2Very high91.1Very high5 Ų521.3 Ų21.34%0.03512%0.12CC..EExtended strand (participates in β ladder)trans-161.6164.6179.382.60000111.8K35 V121 L135S29-K35 WeakPolarHBondContact OG-CB 3.48Å; S29-V121 WeakPolarHBondContact CB-O 3.46Å; S29-L135 WeakPolarHBondContact O-CD1 3.36Å
30H88.2Confident90.7Very high40 Ų4022.9 Ų22.919%0.18513%0.127CC..  trans-65.8152.3158.7-164.379.1000110.7A33 E129 R131H30-A33 VanDerWaalsContact O-CB 3.27Å; H30-A33 WeakPolarHBondContact O-CB 3.44Å; H30-A33 PolarHBondContact O-N 3.06Å; H30-E129 HydrophobicContact CB-CB 3.95Å; H30-E129 VanDerWaalsContact CB-OE2 3.29Å; H30-E129 WeakPolarHBondContact CB-OE2 3.38Å; H30-E129 IonicContact CD2-OE1 3.44Å; H30-E129 PolarHBondContact CD2-OE1 3.16Å; H30-E129 IonicContact CD2-OE2 3.75Å; H30-E129 PolarHBondContact CD2-OE2 3.45Å; H30-E129 VanDerWaalsContact CG-CB 3.49Å; H30-E129 IonicContact CG-OE2 2.69Å; H30-E129 VanDerWaalsContact ND1-CB 3.31Å; H30-E129 WeakPolarHBondContact ND1-CB 3.25Å; H30-E129 IonicContact NE2-OE1 2.78Å; H30-E129 IonicContact NE2-OE2 3.54Å; H30-R131 HydrophobicContact CB-CB 4.35Å; H30-R131 VanDerWaalsContact ND1-CB 3.25Å; H30-R131 WeakPolarHBondContact ND1-CB 3.28Å
31P83.7Confident90.3Very high36 Ų3622.6 Ų22.623%0.23412%0.122CC..THydrogen-bonded Turntrans-43.8142.4164.9-3132.2000112.7A33 G100P31-A33 PolarHBondContact O-N 2.79Å; P31-G100 WeakPolarHBondContact CG-O 3.37Å
32D84.7Confident90.1Very high114 Ų11419.8 Ų19.861%0.6111%0.11SC*.THydrogen-bonded Turntrans60.71.3179.2-56.2-40.4000116.9G34 K152D32-G34 PolarHBondContact O-N 3.33Å; D32-K152 VanDerWaalsContact O-CE 3.26Å; D32-K152 WeakPolarHBondContact O-CE 3.42Å; D32-K152 PolarHBondContact O-NZ 3.2Å
33A90.9Very high89.6Confident1 Ų119.3 Ų19.31%0.00811%0.109CC..SBendtrans-65.2-10.617500000113.4H30 P31 V121 D123 N151H30-A33 VanDerWaalsContact O-CB 3.27Å; H30-A33 WeakPolarHBondContact O-CB 3.44Å; H30-A33 PolarHBondContact O-N 3.06Å; P31-A33 PolarHBondContact O-N 2.79Å; A33-V121 HydrophobicContact CB-CG1 4.5Å; A33-D123 HydrophobicContact CB-CB 4.4Å; A33-N151 PolarHBondContact O-ND2 2.95Å
34G89Confident88.9Confident11 Ų1119.5 Ų19.511%0.11311%0.11CC..SBendtrans10520.6174.700000114.8D32 T36 T37 I38D32-G34 PolarHBondContact O-N 3.33Å; G34-T36 PolarHBondContact O-N 3.03Å; G34-T37 WeakPolarHBondContact O-CB 3.43Å; G34-T37 PolarHBondContact O-N 3.5Å; G34-T37 VanDerWaalsContact O-N 3.13Å; G34-I38 PolarHBondContact O-N 3.13Å
35K88.4Confident88.2Confident11 Ų1120.5 Ų20.55%0.04811%0.114CC..Hα-helixtrans-45.9-56.2174.8-173.9179.470.677.10113I27 S29 T37 I38 T39 S78 D97 T98I27-K35 HydrophobicContact CB-CG 4.23Å; I27-K35 HydrophobicContact CG2-CD 4.47Å; I27-K35 HydrophobicContact CG2-CG 3.75Å; S29-K35 WeakPolarHBondContact OG-CB 3.48Å; K35-T37 VanDerWaalsContact C-N 3.29Å; K35-T37 PolarHBondContact O-N 2.91Å; K35-I38 WeakPolarHBondContact O-CG2 3.4Å; K35-I38 PolarHBondContact O-N 2.92Å; K35-T39 WeakPolarHBondContact O-CB 3.18Å; K35-T39 PolarHBondContact O-N 3.36Å; K35-T39 PolarHBondContact O-OG1 2.98Å; K35-S78 PolarHBondContact NZ-OG 2.86Å; K35-S78 VanDerWaalsContact NZ-OG 3.14Å; K35-D97 WeakPolarHBondContact CD-OD1 3.37Å; K35-D97 WeakPolarHBondContact CG-OD1 3.42Å; K35-D97 IonicContact NZ-OD1 3.84Å; K35-D97 PolarHBondContact NZ-OD1 2.98Å; K35-D97 IonicContact NZ-OD2 2.68Å; K35-D97 PolarHBondContact NZ-OD2 3.21Å; K35-T98 WeakPolarHBondContact CE-O 3.34Å; K35-T98 PolarHBondContact NZ-O 3.48Å
36T83.2Confident87.5Confident66 Ų6620.7 Ų20.741%0.40512%0.116SC..Hα-helixtrans-59.6-41.7-178.8-48.50000111.7G34 T39 E40G34-T36 PolarHBondContact O-N 3.03Å; T36-T39 WeakPolarHBondContact O-CB 3.22Å; T36-T39 PolarHBondContact O-N 3.27Å; T36-E40 WeakPolarHBondContact O-CG 3.26Å; T36-E40 PolarHBondContact O-N 3.3Å
37T87.8Confident86.5Confident44 Ų4429 Ų2927%0.2716%0.155SC..Hα-helixtrans-64.2-44.2178.1-48.40000111.5G34 K35 E40 K41 A268G34-T37 WeakPolarHBondContact O-CB 3.43Å; G34-T37 PolarHBondContact O-N 3.5Å; G34-T37 VanDerWaalsContact O-N 3.13Å; K35-T37 VanDerWaalsContact C-N 3.29Å; K35-T37 PolarHBondContact O-N 2.91Å; T37-E40 PolarHBondContact O-N 3.42Å; T37-K41 WeakPolarHBondContact O-CG 3.23Å; T37-K41 PolarHBondContact O-N 2.95Å; T37-K41 VanDerWaalsContact O-N 3.08Å; T37-A268 HydrophobicContact CG2-CB 3.8Å
38I91.2Very high84.8Confident0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-66.2-40.2178-165.575.1000110.9I27 G34 K35 E40 K41 V42 L119 V121 F149 A268 V274 M277I27-I38 HydrophobicContact CD1-CG2 4.04Å; I27-I38 HydrophobicContact CG2-CG2 4.06Å; G34-I38 PolarHBondContact O-N 3.13Å; K35-I38 WeakPolarHBondContact O-CG2 3.4Å; K35-I38 PolarHBondContact O-N 2.92Å; I38-E40 VanDerWaalsContact C-N 3.34Å; I38-E40 PolarHBondContact O-N 3.41Å; I38-K41 PolarHBondContact O-N 3.02Å; I38-K41 VanDerWaalsContact O-N 3.11Å; I38-V42 HydrophobicContact CG1-CG2 4.31Å; I38-V42 WeakPolarHBondContact O-CB 3.41Å; I38-V42 WeakPolarHBondContact O-CG2 3.29Å; I38-V42 PolarHBondContact O-N 3.39Å; I38-L119 HydrophobicContact CG1-CD2 4.25Å; I38-V121 HydrophobicContact CG2-CG2 3.87Å; I38-F149 HydrophobicContact CD1-CD1 4.04Å; I38-F149 HydrophobicContact CD1-CE1 3.81Å; I38-F149 HydrophobicContact CD1-CZ 4.24Å; I38-A268 HydrophobicContact CB-CB 4.14Å; I38-A268 HydrophobicContact CD1-CB 3.86Å; I38-V274 HydrophobicContact CD1-CB 4.21Å; I38-V274 HydrophobicContact CD1-CG1 3.81Å; I38-V274 HydrophobicContact CD1-CG2 3.54Å; I38-M277 HydrophobicContact CD1-CE 4.35Å; I38-M277 HydrophobicContact CG1-CE 4.37Å
39T88.7Confident83Confident9 Ų931 Ų316%0.05517%0.169CC..Hα-helixtrans-56.1-48.5174.5-63.60000110.8I27 K35 T36 K41 V42 L43 M84 L95 D97I27-T39 WeakPolarHBondContact CD1-OG1 3.3Å; K35-T39 WeakPolarHBondContact O-CB 3.18Å; K35-T39 PolarHBondContact O-N 3.36Å; K35-T39 PolarHBondContact O-OG1 2.98Å; T36-T39 WeakPolarHBondContact O-CB 3.22Å; T36-T39 PolarHBondContact O-N 3.27Å; T39-K41 VanDerWaalsContact C-N 3.33Å; T39-K41 PolarHBondContact O-N 3.45Å; T39-V42 PolarHBondContact O-N 2.92Å; T39-L43 HydrophobicContact CG2-CD1 4.29Å; T39-L43 VanDerWaalsContact O-CG 3.3Å; T39-L43 WeakPolarHBondContact O-CG 3.33Å; T39-L43 PolarHBondContact O-N 3.19Å; T39-L43 VanDerWaalsContact O-N 3.17Å; T39-M84 HydrophobicContact CG2-CE 3.64Å; T39-L95 HydrophobicContact CG2-CD2 3.94Å; T39-D97 HydrophobicContact CG2-CB 4.47Å; T39-D97 PolarHBondContact OG1-OD1 3.41Å
40E85.1Confident81.5Confident44 Ų4437.6 Ų37.621%0.20620%0.199CC..Hα-helixtrans-61-39.7176.4-69.6-174.2178.900112.6T36 T37 I38 L44 I49 V55T36-E40 WeakPolarHBondContact O-CG 3.26Å; T36-E40 PolarHBondContact O-N 3.3Å; T37-E40 PolarHBondContact O-N 3.42Å; I38-E40 VanDerWaalsContact C-N 3.34Å; I38-E40 PolarHBondContact O-N 3.41Å; E40-L44 PolarHBondContact O-N 2.96Å; E40-L44 VanDerWaalsContact O-N 3.15Å; E40-I49 VanDerWaalsContact O-CD1 3.3Å; E40-I49 WeakPolarHBondContact O-CD1 3.32Å; E40-V55 HydrophobicContact CB-CG2 4.39Å; E40-V55 HydrophobicContact CG-CG2 3.81Å
41K87.4Confident79.9Confident12 Ų1238.5 Ų38.55%0.05221%0.208CC..Hα-helixtrans-71.7-41.3179.8-63.9-36.3-176-174.70112.5T37 I38 T39 L43 L44 F45 A52 G207 A268 N271 V274T37-K41 WeakPolarHBondContact O-CG 3.23Å; T37-K41 PolarHBondContact O-N 2.95Å; T37-K41 VanDerWaalsContact O-N 3.08Å; I38-K41 PolarHBondContact O-N 3.02Å; I38-K41 VanDerWaalsContact O-N 3.11Å; T39-K41 VanDerWaalsContact C-N 3.33Å; T39-K41 PolarHBondContact O-N 3.45Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.41Å; K41-L44 WeakPolarHBondContact O-CA 3.15Å; K41-L44 VanDerWaalsContact O-CB 3.3Å; K41-L44 WeakPolarHBondContact O-CB 3.34Å; K41-L44 PolarHBondContact O-N 3.3Å; K41-F45 VanDerWaalsContact O-CD2 3.24Å; K41-F45 WeakPolarHBondContact O-CD2 3.39Å; K41-F45 PolarHBondContact O-N 3.06Å; K41-A52 HydrophobicContact CD-CB 4.06Å; K41-G207 PolarHBondContact NZ-O 3.4Å; K41-A268 WeakPolarHBondContact CE-O 3.13Å; K41-A268 VanDerWaalsContact CG-O 3.25Å; K41-A268 WeakPolarHBondContact CG-O 3.23Å; K41-N271 HydrophobicContact CD-CB 4.24Å; K41-N271 WeakPolarHBondContact CD-OD1 3.27Å; K41-V274 HydrophobicContact CB-CB 4.4Å; K41-V274 HydrophobicContact CB-CG1 3.92Å; K41-V274 HydrophobicContact CB-CG2 4.08Å; K41-V274 HydrophobicContact CG-CG2 4.42Å
42V89.3Confident78.3Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-57.5-43.3176.1166.50000110.5F25 I38 T39 L44 F45 G46 F86 L95 V274 M277 L278F25-V42 HydrophobicContact CZ-CG1 4.4Å; I38-V42 HydrophobicContact CG1-CG2 4.31Å; I38-V42 WeakPolarHBondContact O-CB 3.41Å; I38-V42 WeakPolarHBondContact O-CG2 3.29Å; I38-V42 PolarHBondContact O-N 3.39Å; T39-V42 PolarHBondContact O-N 2.92Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.18Å; V42-F45 PolarHBondContact O-N 2.8Å; V42-G46 PolarHBondContact O-N 3.46Å; V42-F86 HydrophobicContact CG1-CE1 3.83Å; V42-F86 HydrophobicContact CG1-CE2 4.04Å; V42-F86 HydrophobicContact CG1-CZ 3.23Å; V42-L95 HydrophobicContact CG1-CD2 4.39Å; V42-V274 HydrophobicContact CG2-CG1 3.87Å; V42-M277 HydrophobicContact CG2-CE 3.93Å; V42-L278 HydrophobicContact CG1-CD1 4.18Å; V42-L278 HydrophobicContact CG1-CD2 4.44Å
43L86Confident76.6Confident3 Ų333.8 Ų33.82%0.01619%0.191CC..Hα-helixtrans-65.5-32.9175.1-65.6168.4000113.3T39 K41 G46 A48 I49 M84 F86T39-L43 HydrophobicContact CG2-CD1 4.29Å; T39-L43 VanDerWaalsContact O-CG 3.3Å; T39-L43 WeakPolarHBondContact O-CG 3.33Å; T39-L43 PolarHBondContact O-N 3.19Å; T39-L43 VanDerWaalsContact O-N 3.17Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.41Å; L43-G46 PolarHBondContact O-N 2.85Å; L43-A48 HydrophobicContact CB-CB 4.25Å; L43-A48 HydrophobicContact CD2-CB 4.21Å; L43-A48 VanDerWaalsContact O-CB 3.24Å; L43-A48 WeakPolarHBondContact O-CB 3.28Å; L43-A48 PolarHBondContact O-N 2.94Å; L43-I49 HydrophobicContact CB-CD1 4.21Å; L43-I49 HydrophobicContact CB-CG1 4.21Å; L43-I49 PolarHBondContact O-N 3.44Å; L43-M84 HydrophobicContact CD1-CE 4.23Å; L43-M84 HydrophobicContact CD1-SD 3.45Å; L43-M84 WeakPolarHBondContact CD1-SD 3.12Å; L43-M84 HydrophobicContact CD2-CB 4.05Å; L43-M84 HydrophobicContact CD2-SD 3.98Å; L43-M84 HydrophobicContact CG-SD 4.28Å; L43-F86 HydrophobicContact CD2-CD1 3.73Å; L43-F86 HydrophobicContact CD2-CE1 4.1Å; L43-F86 HydrophobicContact CD2-CG 4.5Å
44L82.7Confident74.3Confident10 Ų1036 Ų365%0.05221%0.205CC..Hα-helixtrans-64.6-44174.8179.669.1000111E40 K41 V42 Q47 I49 A52 I210E40-L44 PolarHBondContact O-N 2.96Å; E40-L44 VanDerWaalsContact O-N 3.15Å; K41-L44 WeakPolarHBondContact O-CA 3.15Å; K41-L44 VanDerWaalsContact O-CB 3.3Å; K41-L44 WeakPolarHBondContact O-CB 3.34Å; K41-L44 PolarHBondContact O-N 3.3Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.18Å; L44-Q47 PolarHBondContact O-N 3.02Å; L44-Q47 VanDerWaalsContact O-N 3.12Å; L44-I49 HydrophobicContact CB-CD1 4.13Å; L44-I49 HydrophobicContact CB-CG1 3.92Å; L44-I49 HydrophobicContact CD1-CG1 4.16Å; L44-I49 WeakPolarHBondContact CD1-O 3.48Å; L44-A52 HydrophobicContact CD2-CB 3.88Å; L44-I210 HydrophobicContact CD2-CG1 4.11Å; L44-I210 HydrophobicContact CG-CD1 4.44Å; L44-I210 HydrophobicContact CG-CG1 4.2Å
45F82.2Confident72.2Confident23 Ų2338.9 Ų38.910%0.10122%0.22CC..Hα-helixtrans-67.8-34.9177.4-80.4-73.6000112.7K41 V42 Q47 Y88 I210 N271 V274 D275 L278K41-F45 VanDerWaalsContact O-CD2 3.24Å; K41-F45 WeakPolarHBondContact O-CD2 3.39Å; K41-F45 PolarHBondContact O-N 3.06Å; V42-F45 PolarHBondContact O-N 2.8Å; F45-Q47 PolarHBondContact O-N 2.97Å; F45-Y88 HydrophobicContact CB-CD2 4.46Å; F45-Y88 HydrophobicContact CB-CE2 4Å; F45-I210 HydrophobicContact CD1-CD1 4.05Å; F45-I210 HydrophobicContact CD1-CG1 4.38Å; F45-I210 HydrophobicContact CE1-CD1 4.12Å; F45-I210 HydrophobicContact CE1-CG1 4.02Å; F45-I210 HydrophobicContact CE1-CG2 3.87Å; F45-I210 HydrophobicContact CZ-CG1 4.33Å; F45-I210 HydrophobicContact CZ-CG2 4.37Å; F45-N271 VanDerWaalsContact CE2-OD1 3.22Å; F45-N271 WeakPolarHBondContact CE2-OD1 3.44Å; F45-V274 HydrophobicContact CD2-CB 4.22Å; F45-V274 HydrophobicContact CD2-CG1 4Å; F45-V274 HydrophobicContact CE2-CB 3.84Å; F45-V274 HydrophobicContact CE2-CG1 4.13Å; F45-D275 HydrophobicContact CD1-CB 4.12Å; F45-D275 HydrophobicContact CE1-CB 3.67Å; F45-D275 HydrophobicContact CE2-CB 4.46Å; F45-D275 HydrophobicContact CZ-CB 3.87Å; F45-L278 HydrophobicContact CB-CD2 3.88Å
46G79.4Confident69.7Low3 Ų346.1 Ų46.13%0.03125%0.251CS..THydrogen-bonded Turntrans-68.54.5170.200000115.2V42 L43 A48 P87V42-G46 PolarHBondContact O-N 3.46Å; L43-G46 PolarHBondContact O-N 2.85Å; G46-A48 PolarHBondContact O-N 2.62Å; G46-P87 WeakPolarHBondContact CA-O 3.39Å
47Q73.6Confident67.1Low175 Ų17546.1 Ų46.182%0.81826%0.264SS*.THydrogen-bonded Turntrans54.714.6-172.6-55.1-178.37.900114L44 F45 I49L44-Q47 PolarHBondContact O-N 3.02Å; L44-Q47 VanDerWaalsContact O-N 3.12Å; F45-Q47 PolarHBondContact O-N 2.97Å; Q47-I49 VanDerWaalsContact C-N 3.26Å; Q47-I49 PolarHBondContact O-N 2.8Å
48A57.3Low64.2Low27 Ų2752 Ų5222%0.22328%0.282CS..SBendtrans-69.8-29.5-179.700000110.5L43 G46 F86 A359L43-A48 HydrophobicContact CB-CB 4.25Å; L43-A48 HydrophobicContact CD2-CB 4.21Å; L43-A48 VanDerWaalsContact O-CB 3.24Å; L43-A48 WeakPolarHBondContact O-CB 3.28Å; L43-A48 PolarHBondContact O-N 2.94Å; G46-A48 PolarHBondContact O-N 2.62Å; A48-F86 HydrophobicContact CB-CB 3.95Å; A48-A359 HydrophobicContact CB-CB 3.6Å
49I55.1Low61.1Low17 Ų1755 Ų559%0.08731%0.312CS..SBendtrans-126.6145.9171.863.5176.2000110.7E40 L43 L44 Q47 V55E40-I49 VanDerWaalsContact O-CD1 3.3Å; E40-I49 WeakPolarHBondContact O-CD1 3.32Å; L43-I49 HydrophobicContact CB-CD1 4.21Å; L43-I49 HydrophobicContact CB-CG1 4.21Å; L43-I49 PolarHBondContact O-N 3.44Å; L44-I49 HydrophobicContact CB-CD1 4.13Å; L44-I49 HydrophobicContact CB-CG1 3.92Å; L44-I49 HydrophobicContact CD1-CG1 4.16Å; L44-I49 WeakPolarHBondContact CD1-O 3.48Å; Q47-I49 VanDerWaalsContact C-N 3.26Å; Q47-I49 PolarHBondContact O-N 2.8Å; I49-V55 HydrophobicContact CD1-CG2 3.82Å; I49-V55 HydrophobicContact CG2-CG2 4.3Å
50Q57.8Low58.3Low143 Ų14359.7 Ų59.767%0.66835%0.346SS*.SBendtrans-84.8-21.3-177.6-76.2-162.3-700114.8
51T54.2Low55.7Low60 Ų6065 Ų6537%0.36838%0.376SS..SBendtrans-148.8140.6178.7-41.50000109.5G53 T54 H208T51-G53 PolarHBondContact O-N 3.06Å; T51-T54 WeakPolarHBondContact CB-OG1 3.35Å; T51-T54 WeakPolarHBondContact O-CB 3.21Å; T51-T54 PolarHBondContact O-N 3.42Å; T51-T54 PolarHBondContact O-OG1 3.08Å; T51-H208 WeakPolarHBondContact CG2-O 3.42Å
52A51Low53.2Low17 Ų1772.7 Ų72.714%0.1441%0.412CS..THydrogen-bonded Turntrans-62.4135.8179.600000110.6K41 L44 H208K41-A52 HydrophobicContact CD-CB 4.06Å; L44-A52 HydrophobicContact CD2-CB 3.88Å; A52-H208 PolarHBondContact N-O 3.38Å
53G48.4Very low50.4Low34 Ų3481.3 Ų81.335%0.35145%0.452SS..THydrogen-bonded Turntrans87.4-4.9-171.500000115.2T51 V55T51-G53 PolarHBondContact O-N 3.06Å; G53-V55 VanDerWaalsContact C-N 3.31Å; G53-V55 PolarHBondContact O-N 3.39Å
54T42.8Very low47.9Very low48 Ų4884.4 Ų84.429%0.29448%0.477SS..THydrogen-bonded Turntrans-85.44.7178.6-36.40000113.8T51 K56 R58T51-T54 WeakPolarHBondContact CB-OG1 3.35Å; T51-T54 WeakPolarHBondContact O-CB 3.21Å; T51-T54 PolarHBondContact O-N 3.42Å; T51-T54 PolarHBondContact O-OG1 3.08Å; T54-K56 CarbonylContact O-C 3.55Å; T54-K56 PolarHBondContact O-N 3.35Å; T54-R58 HydrophobicContact CG2-CG 4.42Å
55V43.9Very low45.8Very low71 Ų7190.7 Ų90.743%0.4350%0.504SS..THydrogen-bonded Turntrans-58.6-13.9164.1-160.10000110.5E40 I49 G53 G57E40-V55 HydrophobicContact CB-CG2 4.39Å; E40-V55 HydrophobicContact CG-CG2 3.81Å; I49-V55 HydrophobicContact CD1-CG2 3.82Å; I49-V55 HydrophobicContact CG2-CG2 4.3Å; G53-V55 VanDerWaalsContact C-N 3.31Å; G53-V55 PolarHBondContact O-N 3.39Å; V55-G57 PolarHBondContact O-N 3.33Å; V55-G57 VanDerWaalsContact O-N 3.12Å
56K36.7Very low44.2Very low162 Ų16290.9 Ų90.970%0.70451%0.509SS*.SBendtrans-79.979.2164-62.6-178.8-175.51730111.4T54T54-K56 CarbonylContact O-C 3.55Å; T54-K56 PolarHBondContact O-N 3.35Å
57G29.4Very low42.8Very low66 Ų6694.8 Ų94.868%0.6853%0.528SS*.  trans55.289.5150.100000116.8V55 G59V55-G57 PolarHBondContact O-N 3.33Å; V55-G57 VanDerWaalsContact O-N 3.12Å; G57-G59 PolarHBondContact O-N 3.07Å; G57-G59 VanDerWaalsContact O-N 3.16Å
58R25.2Very low42.1Very low168 Ų16887.5 Ų87.563%0.63449%0.494SS*.  trans-65.2107155.2-94.5176.3161.9-176.5-14.9109.8T54T54-R58 HydrophobicContact CG2-CG 4.42Å
59G27.6Very low42.3Very low63 Ų6389.4 Ų89.465%0.64950%0.499SS*.SBendtrans76.3128149.500000118.1G57G57-G59 PolarHBondContact O-N 3.07Å; G57-G59 VanDerWaalsContact O-N 3.16Å
60S28.4Very low42.5Very low108 Ų10892.7 Ų92.776%0.75551%0.514SS*.SBendtrans83.997.8161.677.70000118.8Q62S60-Q62 VanDerWaalsContact C-N 3.33Å; S60-Q62 PolarHBondContact O-N 2.79Å
61N31.8Very low42.7Very low156 Ų15687.2 Ų87.283%0.83449%0.489SS*.  trans30.540139.9-78.4-0.5000121H63N61-H63 PolarHBondContact O-N 2.78Å
62Q33.5Very low43.2Very low173 Ų17386 Ų8681%0.80848%0.478SS*.  trans-92.286.7167.8-72.1-163.7-1.800111.2S60 A64S60-Q62 VanDerWaalsContact C-N 3.33Å; S60-Q62 PolarHBondContact O-N 2.79Å; Q62-A64 PolarHBondContact O-N 2.91Å
63H31.9Very low43.7Very low181 Ų18190.7 Ų90.784%0.83850%0.496SS*.  trans-55.595.9159.1-71.6-64.5000110.5N61N61-H63 PolarHBondContact O-N 2.78Å
64A32.7Very low44.4Very low67 Ų6796.5 Ų96.555%0.55451%0.514SS*.  trans1647114500000108.6Q62 S66Q62-A64 PolarHBondContact O-N 2.91Å; A64-S66 PolarHBondContact O-N 3.32Å
65K39.7Very low45.4Very low143 Ų143100 Ų10062%0.62252%0.522SS*.  trans-61.9118.9159.2-77.2178.4179.7168.30105.6
66S48Very low46Very low27 Ų2798.9 Ų98.919%0.18952%0.524CS..  trans-62.3141.7178.563.80000110.1A64 W68 M69 E70A64-S66 PolarHBondContact O-N 3.32Å; S66-W68 PolarHBondContact O-N 3.21Å; S66-W68 VanDerWaalsContact O-N 3.08Å; S66-W68 PolarHBondContact OG-NE1 3.17Å; S66-M69 PolarHBondContact O-N 3.24Å; S66-M69 VanDerWaalsContact OG-CE 3.26Å; S66-M69 WeakPolarHBondContact OG-CE 3.41Å; S66-M69 WeakPolarHBondContact OG-CG 3.16Å; S66-M69 PolarHBondContact OG-N 3.14Å; S66-E70 PolarHBondContact O-N 3.22Å
67D50.7Low47.3Very low84 Ų8492.4 Ų92.445%0.44950%0.497SS..Hα-helixtrans-54.2-29.7179.2-69.5-9.3000112.6E70 M71D67-E70 WeakPolarHBondContact O-CB 3.49Å; D67-E70 PolarHBondContact O-N 3.3Å; D67-M71 PolarHBondContact O-N 3.49Å
68W57.9Low48.9Very low23 Ų2390.1 Ų90.19%0.08747%0.471CS..Hα-helixtrans-77.7-32.3178.877.6-95000113S66 E70 M71 E72 I79 T80 R461S66-W68 PolarHBondContact O-N 3.21Å; S66-W68 VanDerWaalsContact O-N 3.08Å; S66-W68 PolarHBondContact OG-NE1 3.17Å; W68-E70 PolarHBondContact O-N 2.92Å; W68-M71 CarbonylContact O-C 3.55Å; W68-M71 WeakPolarHBondContact O-CA 3.42Å; W68-M71 VanDerWaalsContact O-CB 3.31Å; W68-M71 WeakPolarHBondContact O-CB 3.26Å; W68-M71 PolarHBondContact O-N 3.18Å; W68-E72 HydrophobicContact CE3-CG 3.99Å; W68-E72 HydrophobicContact CZ3-CG 4.02Å; W68-E72 VanDerWaalsContact CZ3-OE1 3.31Å; W68-E72 WeakPolarHBondContact CZ3-OE1 3.45Å; W68-E72 PolarHBondContact O-N 3.46Å; W68-I79 HydrophobicContact CZ3-CB 4.37Å; W68-T80 HydrophobicContact CH2-CG2 3.46Å; W68-T80 VanDerWaalsContact CH2-CG2 3.46Å; W68-T80 WeakPolarHBondContact CH2-OG1 3.26Å; W68-T80 HydrophobicContact CZ2-CG2 4.4Å; W68-T80 HydrophobicContact CZ3-CG2 3.59Å; W68-R461 HydrophobicContact CB-CG 4.38Å; W68-R461 HydrophobicContact CG-CG 4.26Å
69M61.6Low50.4Low67 Ų6782.4 Ų82.433%0.3344%0.442SS..Hα-helixtrans-67.2-27.4168.9-79.4-167.2-77.100111.3S66 K73S66-M69 PolarHBondContact O-N 3.24Å; S66-M69 VanDerWaalsContact OG-CE 3.26Å; S66-M69 WeakPolarHBondContact OG-CE 3.41Å; S66-M69 WeakPolarHBondContact OG-CG 3.16Å; S66-M69 PolarHBondContact OG-N 3.14Å; M69-K73 WeakPolarHBondContact O-CD 3.29Å; M69-K73 VanDerWaalsContact O-CG 3.29Å; M69-K73 WeakPolarHBondContact O-CG 3.29Å; M69-K73 PolarHBondContact O-N 2.75Å
70E59.4Low52.3Low85 Ų8580.8 Ų80.840%0.39742%0.419SS..Hα-helixtrans-71.4-38.9166.7-72.3-169.1168.900111.7S66 D67 W68 E72 K73 Q74S66-E70 PolarHBondContact O-N 3.22Å; D67-E70 WeakPolarHBondContact O-CB 3.49Å; D67-E70 PolarHBondContact O-N 3.3Å; W68-E70 PolarHBondContact O-N 2.92Å; E70-E72 PolarHBondContact O-N 3.13Å; E70-K73 CarbonylContact O-C 3.25Å; E70-K73 PolarHBondContact O-N 2.91Å; E70-K73 VanDerWaalsContact O-N 3.17Å; E70-Q74 WeakPolarHBondContact O-CB 3.48Å; E70-Q74 VanDerWaalsContact O-CG 3.25Å; E70-Q74 WeakPolarHBondContact O-CG 3.44Å; E70-Q74 PolarHBondContact O-N 3.21Å
71M62.6Low54.3Low29 Ų2975.7 Ų75.714%0.14338%0.384CS..Hα-helixtrans-60-43.7172.8-167.5-172.9-59.700112D67 W68 K73 Q74 R75 L453 V457D67-M71 PolarHBondContact O-N 3.49Å; W68-M71 CarbonylContact O-C 3.55Å; W68-M71 WeakPolarHBondContact O-CA 3.42Å; W68-M71 VanDerWaalsContact O-CB 3.31Å; W68-M71 WeakPolarHBondContact O-CB 3.26Å; W68-M71 PolarHBondContact O-N 3.18Å; M71-K73 VanDerWaalsContact C-N 3.31Å; M71-K73 PolarHBondContact O-N 2.84Å; M71-Q74 PolarHBondContact O-N 3.3Å; M71-R75 HydrophobicContact CG-CG 4.42Å; M71-R75 WeakPolarHBondContact O-CB 3.3Å; M71-R75 PolarHBondContact O-N 3.1Å; M71-L453 HydrophobicContact SD-CD1 4.44Å; M71-V457 HydrophobicContact SD-CG2 4.33Å
72E64.9Low56.5Low33 Ų3370.3 Ų70.315%0.15436%0.359CS..Hα-helixtrans-54.4-48171.8-75.6-169.8137.600111.1W68 E70 G76 I77 I79 T80W68-E72 HydrophobicContact CE3-CG 3.99Å; W68-E72 HydrophobicContact CZ3-CG 4.02Å; W68-E72 VanDerWaalsContact CZ3-OE1 3.31Å; W68-E72 WeakPolarHBondContact CZ3-OE1 3.45Å; W68-E72 PolarHBondContact O-N 3.46Å; E70-E72 PolarHBondContact O-N 3.13Å; E72-G76 CarbonylContact O-C 3.45Å; E72-G76 WeakPolarHBondContact O-CA 3.5Å; E72-G76 PolarHBondContact O-N 3.45Å; E72-I77 WeakPolarHBondContact CA-O 3.23Å; E72-I77 VanDerWaalsContact CB-O 3.23Å; E72-I77 WeakPolarHBondContact CB-O 3.25Å; E72-I77 WeakPolarHBondContact CG-O 3.49Å; E72-I77 PolarHBondContact O-N 2.89Å; E72-I79 HydrophobicContact CG-CB 3.91Å; E72-I79 HydrophobicContact CG-CD1 3.55Å; E72-I79 HydrophobicContact CG-CG1 3.73Å; E72-I79 WeakPolarHBondContact OE1-CA 3.25Å; E72-I79 WeakPolarHBondContact OE1-CB 3.35Å; E72-I79 PolarHBondContact OE1-N 3.41Å; E72-T80 PolarHBondContact OE1-N 3.27Å
73K61.9Low58.9Low116 Ų11662.6 Ų62.650%0.50432%0.323SS..Hα-helixtrans-68.5-40.8179.6-73.7167.9-172160.30113.2M69 E70 M71 G76M69-K73 WeakPolarHBondContact O-CD 3.29Å; M69-K73 VanDerWaalsContact O-CG 3.29Å; M69-K73 WeakPolarHBondContact O-CG 3.29Å; M69-K73 PolarHBondContact O-N 2.75Å; E70-K73 CarbonylContact O-C 3.25Å; E70-K73 PolarHBondContact O-N 2.91Å; E70-K73 VanDerWaalsContact O-N 3.17Å; M71-K73 VanDerWaalsContact C-N 3.31Å; M71-K73 PolarHBondContact O-N 2.84Å; K73-G76 PolarHBondContact O-N 3.38Å
74Q61.4Low61.6Low156 Ų15654.6 Ų54.673%0.72929%0.286SS*.Hα-helixtrans-67.5-39.2179.6-76.7176.16.100111.2E70 M71E70-Q74 WeakPolarHBondContact O-CB 3.48Å; E70-Q74 VanDerWaalsContact O-CG 3.25Å; E70-Q74 WeakPolarHBondContact O-CG 3.44Å; E70-Q74 PolarHBondContact O-N 3.21Å; M71-Q74 PolarHBondContact O-N 3.3Å
75R63.5Low64.4Low122 Ų12252.1 Ų52.146%0.4626%0.263SS..Hα-helixtrans-87.8-11.6178.7-65.8-166.8-174.8-156.912.1113.4M71 I77 D456M71-R75 HydrophobicContact CG-CG 4.42Å; M71-R75 WeakPolarHBondContact O-CB 3.3Å; M71-R75 PolarHBondContact O-N 3.1Å; R75-I77 VanDerWaalsContact C-N 3.32Å; R75-I77 HydrophobicContact CB-CD1 3.9Å; R75-I77 HydrophobicContact CB-CG1 3.8Å; R75-D456 IonicContact CZ-OD2 2.91Å; R75-D456 IonicContact NH1-OD2 2.68Å; R75-D456 IonicContact NH2-OD2 2.69Å; R75-D456 PolarHBondContact NH2-OD2 3.13Å
76G57.9Low66.7Low47 Ų4745.4 Ų45.449%0.48523%0.234SC..THydrogen-bonded Turntrans7222-17900000114.3E72 K73E72-G76 CarbonylContact O-C 3.45Å; E72-G76 WeakPolarHBondContact O-CA 3.5Å; E72-G76 PolarHBondContact O-N 3.45Å; K73-G76 PolarHBondContact O-N 3.38Å
77I63.3Low68.7Low27 Ų2747.9 Ų47.914%0.13825%0.25CC..  trans-120.3142.9-172.460.7179.6000111.8E72 R75 I79 H101 L453E72-I77 WeakPolarHBondContact CA-O 3.23Å; E72-I77 VanDerWaalsContact CB-O 3.23Å; E72-I77 WeakPolarHBondContact CB-O 3.25Å; E72-I77 WeakPolarHBondContact CG-O 3.49Å; E72-I77 PolarHBondContact O-N 2.89Å; R75-I77 VanDerWaalsContact C-N 3.32Å; R75-I77 HydrophobicContact CB-CD1 3.9Å; R75-I77 HydrophobicContact CB-CG1 3.8Å; I77-I79 HydrophobicContact CD1-CD1 4.38Å; I77-I79 HydrophobicContact CD1-CG1 4.14Å; I77-I79 HydrophobicContact CG1-CD1 4.47Å; I77-I79 HydrophobicContact CG1-CG1 4.12Å; I77-H101 HydrophobicContact CB-CB 4.44Å; I77-H101 HydrophobicContact CD1-CB 4.2Å; I77-L453 HydrophobicContact CD1-CD2 3.44Å; I77-L453 VanDerWaalsContact CD1-CD2 3.44Å
78S63.9Low70.7Confident18 Ų1844.9 Ų44.913%0.12623%0.232CC..  trans-84.7120.6165.3-560000109.2K35 P99 G100K35-S78 PolarHBondContact NZ-OG 2.86Å; K35-S78 VanDerWaalsContact NZ-OG 3.14Å; S78-P99 VanDerWaalsContact O-CA 3.31Å; S78-P99 WeakPolarHBondContact O-CA 3.06Å; S78-P99 WeakPolarHBondContact O-CB 3.34Å; S78-G100 PolarHBondContact O-N 3.42Å; S78-G100 VanDerWaalsContact O-N 3.09Å
79I56.6Low72.2Confident5 Ų549.8 Ų49.83%0.02626%0.256CS..  trans-97.6-32-179.9-66.5170.2000111W68 E72 I77 P99 F104 V457W68-I79 HydrophobicContact CZ3-CB 4.37Å; E72-I79 HydrophobicContact CG-CB 3.91Å; E72-I79 HydrophobicContact CG-CD1 3.55Å; E72-I79 HydrophobicContact CG-CG1 3.73Å; E72-I79 WeakPolarHBondContact OE1-CA 3.25Å; E72-I79 WeakPolarHBondContact OE1-CB 3.35Å; E72-I79 PolarHBondContact OE1-N 3.41Å; I77-I79 HydrophobicContact CD1-CD1 4.38Å; I77-I79 HydrophobicContact CD1-CG1 4.14Å; I77-I79 HydrophobicContact CG1-CD1 4.47Å; I77-I79 HydrophobicContact CG1-CG1 4.12Å; I79-P99 WeakPolarHBondContact O-CG 3.41Å; I79-F104 HydrophobicContact CB-CE2 4.38Å; I79-F104 HydrophobicContact CG1-CE2 4.12Å; I79-F104 HydrophobicContact CG2-CD1 4.27Å; I79-F104 HydrophobicContact CG2-CD2 4.32Å; I79-F104 HydrophobicContact CG2-CE1 3.79Å; I79-F104 HydrophobicContact CG2-CE2 3.85Å; I79-F104 HydrophobicContact CG2-CZ 3.59Å; I79-V457 HydrophobicContact CD1-CG2 3.84Å; I79-V457 HydrophobicContact CG2-CG1 4.26Å; I79-V457 HydrophobicContact CG2-CG2 4.15Å
80T66.9Low73.5Confident29 Ų2951.9 Ų51.918%0.17827%0.268CS..SBendtrans-113.5137.9-179.657.50000112.7W68 E72 S82W68-T80 HydrophobicContact CH2-CG2 3.46Å; W68-T80 VanDerWaalsContact CH2-CG2 3.46Å; W68-T80 WeakPolarHBondContact CH2-OG1 3.26Å; W68-T80 HydrophobicContact CZ2-CG2 4.4Å; W68-T80 HydrophobicContact CZ3-CG2 3.59Å; E72-T80 PolarHBondContact OE1-N 3.27Å; T80-S82 PolarHBondContact O-N 2.62Å
81T70.3Confident75.1Confident1 Ų148.4 Ų48.41%0.00625%0.253CS..  trans-59.9132.2164.8-47.10000111.1L96 D97 P99 D107 T111 K311T81-L96 HydrophobicContact CG2-CB 4.46Å; T81-D97 WeakPolarHBondContact CA-O 3.04Å; T81-D97 VanDerWaalsContact CG2-O 3.23Å; T81-D97 WeakPolarHBondContact CG2-O 3.37Å; T81-P99 WeakPolarHBondContact OG1-CD 3.37Å; T81-D107 PolarHBondContact N-OD2 2.91Å; T81-D107 PolarHBondContact OG1-OD1 2.98Å; T81-D107 PolarHBondContact OG1-OD2 3.16Å; T81-T111 HydrophobicContact CG2-CG2 3.52Å; T81-T111 WeakPolarHBondContact CG2-OG1 3.23Å; T81-T111 PolarHBondContact OG1-OG1 2.85Å; T81-K311 PolarHBondContact O-NZ 2.77Å; T81-K311 VanDerWaalsContact O-NZ 3.15Å; T81-K311 PolarHBondContact OG1-NZ 3.4Å
82S77.6Confident76.5Confident44 Ų4448.5 Ų48.531%0.30825%0.254SS..EExtended strand (participates in β ladder)trans-110.7144.9167.963.10000110.7T80 M84 L96 D97T80-S82 PolarHBondContact O-N 2.62Å; S82-M84 WeakPolarHBondContact OG-CE 3.44Å; S82-L96 CarbonylContact O-C 3.56Å; S82-L96 WeakPolarHBondContact O-CA 3.46Å; S82-D97 PolarHBondContact N-O 2.89Å; S82-D97 PolarHBondContact O-N 3.41Å; S82-D97 WeakPolarHBondContact OG-CB 3.3Å
83V84.8Confident77.9Confident11 Ų1147 Ų477%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-113.5129.2177.7174.30000107.3L95 L96 F310 F326 F357 I373V83-L95 WeakPolarHBondContact CA-O 3.27Å; V83-L96 HydrophobicContact CG2-CG 4.04Å; V83-F310 HydrophobicContact CG2-CZ 4.35Å; V83-F326 HydrophobicContact CB-CD1 4.26Å; V83-F326 HydrophobicContact CB-CE1 4.09Å; V83-F326 HydrophobicContact CG2-CD1 3.72Å; V83-F326 HydrophobicContact CG2-CE1 3.87Å; V83-F357 HydrophobicContact CB-CD2 4.31Å; V83-F357 HydrophobicContact CB-CG 4.49Å; V83-F357 HydrophobicContact CG1-CB 4.43Å; V83-F357 HydrophobicContact CG1-CD2 4.09Å; V83-F357 WeakPolarHBondContact O-CB 2.6Å; V83-I373 HydrophobicContact CG1-CB 3.73Å; V83-I373 HydrophobicContact CG1-CG1 4.07Å; V83-I373 HydrophobicContact CG1-CG2 3.78Å; V83-I373 HydrophobicContact CG2-CG2 4.16Å
84M88.6Confident79.5Confident13 Ų1341.5 Ų41.56%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-138.9132.3-178.7-68.5168.4-7200109.9T39 L43 S82 L95 D97 F357T39-M84 HydrophobicContact CG2-CE 3.64Å; L43-M84 HydrophobicContact CD1-CE 4.23Å; L43-M84 HydrophobicContact CD1-SD 3.45Å; L43-M84 WeakPolarHBondContact CD1-SD 3.12Å; L43-M84 HydrophobicContact CD2-CB 4.05Å; L43-M84 HydrophobicContact CD2-SD 3.98Å; L43-M84 HydrophobicContact CG-SD 4.28Å; S82-M84 WeakPolarHBondContact OG-CE 3.44Å; M84-L95 HydrophobicContact CE-CD2 4.01Å; M84-L95 HydrophobicContact CE-CG 4.23Å; M84-L95 PolarHBondContact N-O 3.32Å; M84-L95 PolarHBondContact O-N 2.88Å; M84-D97 HydrophobicContact CE-CB 4.26Å; M84-F357 CarbonylContact C-O 3.5Å; M84-F357 WeakPolarHBondContact CA-O 3.37Å
85Q90Very high81Confident14 Ų1434.1 Ų34.17%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-110.9137.3174.1-175.4172.580.500109.7L92 V93 N94 F357 M358 A359 D372Q85-L92 HydrophobicContact CG-CD1 3.71Å; Q85-L92 HydrophobicContact CG-CD2 4.21Å; Q85-L92 HydrophobicContact CG-CG 3.8Å; Q85-V93 VanDerWaalsContact CA-O 3.28Å; Q85-V93 WeakPolarHBondContact CA-O 3.36Å; Q85-N94 WeakPolarHBondContact CG-OD1 3.38Å; Q85-N94 PolarHBondContact NE2-OD1 3.38Å; Q85-F357 PolarHBondContact N-O 3.17Å; Q85-M358 HydrophobicContact CB-SD 3.86Å; Q85-M358 HydrophobicContact CG-CE 4.24Å; Q85-M358 HydrophobicContact CG-SD 3.88Å; Q85-A359 PolarHBondContact O-N 2.88Å; Q85-D372 PolarHBondContact NE2-OD1 2.75Å
86F89.9Confident82.3Confident2 Ų228.3 Ų28.31%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-153.5148.9174.860.1-87.8000111.1V42 L43 A48 V93 L95 L278V42-F86 HydrophobicContact CG1-CE1 3.83Å; V42-F86 HydrophobicContact CG1-CE2 4.04Å; V42-F86 HydrophobicContact CG1-CZ 3.23Å; L43-F86 HydrophobicContact CD2-CD1 3.73Å; L43-F86 HydrophobicContact CD2-CE1 4.1Å; L43-F86 HydrophobicContact CD2-CG 4.5Å; A48-F86 HydrophobicContact CB-CB 3.95Å; F86-V93 HydrophobicContact CD2-CB 4.16Å; F86-V93 HydrophobicContact CE1-CB 4.11Å; F86-V93 HydrophobicContact CE1-CG1 3.89Å; F86-V93 HydrophobicContact CE2-CB 3.7Å; F86-V93 HydrophobicContact CE2-CG1 3.98Å; F86-V93 HydrophobicContact CE2-CG2 4.07Å; F86-V93 HydrophobicContact CZ-CB 3.65Å; F86-V93 HydrophobicContact CZ-CG1 3.43Å; F86-V93 VanDerWaalsContact CZ-CG1 3.43Å; F86-V93 HydrophobicContact CZ-CG2 4.37Å; F86-V93 PolarHBondContact N-O 3.45Å; F86-V93 PolarHBondContact O-N 2.9Å; F86-L95 HydrophobicContact CE1-CB 4.06Å; F86-L278 HydrophobicContact CE2-CD2 4.5Å
87P90.1Very high83.6Confident80 Ų8026.5 Ų26.552%0.51915%0.146SC..EExtended strand (participates in β ladder)trans-76.3143.5172.132.2-33.7000110.8G46G46-P87 WeakPolarHBondContact CA-O 3.39Å
88Y91.8Very high84.4Confident21 Ų2125.2 Ų25.28%0.08214%0.14CC..EExtended strand (participates in β ladder)trans-148.8121.3168.8-172.5-101.2000109.5F45 D90 C91 L278 D279 V282F45-Y88 HydrophobicContact CB-CD2 4.46Å; F45-Y88 HydrophobicContact CB-CE2 4Å; Y88-D90 PolarHBondContact O-N 3.5Å; Y88-C91 PolarHBondContact N-O 3.1Å; Y88-C91 PolarHBondContact O-N 2.97Å; Y88-L278 HydrophobicContact CD1-CD2 3.9Å; Y88-L278 HydrophobicContact CD1-CG 3.65Å; Y88-L278 HydrophobicContact CD2-CD2 3.49Å; Y88-L278 VanDerWaalsContact CD2-CD2 3.49Å; Y88-L278 HydrophobicContact CD2-CG 4.21Å; Y88-L278 HydrophobicContact CE1-CB 4.06Å; Y88-L278 HydrophobicContact CE1-CD2 3.85Å; Y88-L278 HydrophobicContact CE1-CG 3.54Å; Y88-L278 HydrophobicContact CE2-CD2 3.46Å; Y88-L278 VanDerWaalsContact CE2-CD2 3.46Å; Y88-L278 HydrophobicContact CE2-CG 4.14Å; Y88-L278 HydrophobicContact CG-CD2 3.71Å; Y88-L278 HydrophobicContact CG-CG 3.97Å; Y88-D279 VanDerWaalsContact CE1-OD1 3.29Å; Y88-D279 WeakPolarHBondContact CE1-OD1 3.42Å; Y88-D279 PolarHBondContact OH-OD1 2.76Å; Y88-V282 HydrophobicContact CD1-CG1 3.77Å; Y88-V282 HydrophobicContact CD1-CG2 3.98Å; Y88-V282 HydrophobicContact CE1-CG2 4.2Å
89H89.8Confident85Confident126 Ų12624.5 Ų24.558%0.58313%0.134SC*.THydrogen-bonded Turntrans47.7-131.8-163.6-58.8-51.7000110.5C91 D279H89-C91 VanDerWaalsContact C-N 3.28Å; H89-C91 PolarHBondContact O-N 3.43Å; H89-D279 IonicContact CD2-OD1 2.85Å; H89-D279 IonicContact CE1-OD1 3.35Å; H89-D279 IonicContact NE2-OD1 3.82Å; H89-D279 PolarHBondContact NE2-OD1 3Å
90D87.5Confident85.5Confident110 Ų11024.6 Ų24.659%0.58814%0.137SC*.THydrogen-bonded Turntrans-88.18.1179.4-55.7-53.1000113.7K21 Y88K21-D90 WeakPolarHBondContact CG-O 3.22Å; Y88-D90 PolarHBondContact O-N 3.5Å
91C93.7Very high85.7Confident13 Ų1325.2 Ų25.29%0.08814%0.138CC..EExtended strand (participates in β ladder)trans-105.9151.3-178-72.40000111.9K21 R23 Y88 H89 V282K21-C91 CarbonylContact O-C 3.53Å; K21-C91 VanDerWaalsContact O-CA 3.28Å; K21-C91 WeakPolarHBondContact O-CA 3.24Å; K21-C91 WeakPolarHBondContact O-CB 3.45Å; R23-C91 HydrophobicContact CG-CB 4.36Å; Y88-C91 PolarHBondContact N-O 3.1Å; Y88-C91 PolarHBondContact O-N 2.97Å; H89-C91 VanDerWaalsContact C-N 3.28Å; H89-C91 PolarHBondContact O-N 3.43Å; C91-V282 HydrophobicContact CB-CB 4.14Å; C91-V282 HydrophobicContact CB-CG1 4.08Å
92L92.9Very high85.7Confident31 Ų3130.5 Ų30.516%0.16216%0.162CC..EExtended strand (participates in β ladder)trans-104.9113.1169-169.664.1000108.5K21 R22 R23 Q85K21-L92 PolarHBondContact O-N 3.44Å; R22-L92 WeakPolarHBondContact CA-O 3.42Å; R23-L92 PolarHBondContact N-O 3.19Å; Q85-L92 HydrophobicContact CG-CD1 3.71Å; Q85-L92 HydrophobicContact CG-CD2 4.21Å; Q85-L92 HydrophobicContact CG-CG 3.8Å
93V94.2Very high85.6Confident0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-98.8125.7-172-176.30000109.8R23 F25 Q85 F86 V282R23-V93 CarbonylContact O-C 3.56Å; R23-V93 WeakPolarHBondContact O-CA 3.37Å; F25-V93 HydrophobicContact CD1-CG1 3.83Å; F25-V93 HydrophobicContact CE1-CG1 3.4Å; F25-V93 VanDerWaalsContact CE1-CG1 3.4Å; Q85-V93 VanDerWaalsContact CA-O 3.28Å; Q85-V93 WeakPolarHBondContact CA-O 3.36Å; F86-V93 HydrophobicContact CD2-CB 4.16Å; F86-V93 HydrophobicContact CE1-CB 4.11Å; F86-V93 HydrophobicContact CE1-CG1 3.89Å; F86-V93 HydrophobicContact CE2-CB 3.7Å; F86-V93 HydrophobicContact CE2-CG1 3.98Å; F86-V93 HydrophobicContact CE2-CG2 4.07Å; F86-V93 HydrophobicContact CZ-CB 3.65Å; F86-V93 HydrophobicContact CZ-CG1 3.43Å; F86-V93 VanDerWaalsContact CZ-CG1 3.43Å; F86-V93 HydrophobicContact CZ-CG2 4.37Å; F86-V93 PolarHBondContact N-O 3.45Å; F86-V93 PolarHBondContact O-N 2.9Å; V93-V282 HydrophobicContact CG2-CG1 3.81Å
94N93.8Very high85.2Confident2 Ų229.3 Ų29.31%0.01115%0.152CC..EExtended strand (participates in β ladder)trans-105.9106.2173.6-67.8-57.1000108.8R23 T24 F25 Q85 G371 D372R23-N94 PolarHBondContact O-N 3.09Å; T24-N94 CarbonylContact C-O 3.56Å; T24-N94 WeakPolarHBondContact CA-O 3.46Å; T24-N94 HydrophobicContact CG2-CB 3.62Å; F25-N94 PolarHBondContact N-O 3.44Å; Q85-N94 WeakPolarHBondContact CG-OD1 3.38Å; Q85-N94 PolarHBondContact NE2-OD1 3.38Å; N94-G371 PolarHBondContact ND2-O 3.49Å; N94-D372 PolarHBondContact ND2-OD1 3.37Å
95L93.3Very high84.5Confident0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-96.3122.2177.116956.3000110.3F25 I27 T39 V42 V83 M84 F86F25-L95 HydrophobicContact CD2-CD1 4.39Å; F25-L95 HydrophobicContact CE1-CB 3.99Å; F25-L95 HydrophobicContact CE1-CD1 4.1Å; F25-L95 HydrophobicContact CE2-CD1 3.81Å; F25-L95 HydrophobicContact CZ-CB 4.26Å; F25-L95 HydrophobicContact CZ-CD1 3.65Å; F25-L95 HydrophobicContact CZ-CG 4.36Å; I27-L95 HydrophobicContact CD1-CD1 3.55Å; I27-L95 HydrophobicContact CD1-CD2 4.16Å; I27-L95 HydrophobicContact CG1-CD1 3.59Å; T39-L95 HydrophobicContact CG2-CD2 3.94Å; V42-L95 HydrophobicContact CG1-CD2 4.39Å; V83-L95 WeakPolarHBondContact CA-O 3.27Å; M84-L95 HydrophobicContact CE-CD2 4.01Å; M84-L95 HydrophobicContact CE-CG 4.23Å; M84-L95 PolarHBondContact N-O 3.32Å; M84-L95 PolarHBondContact O-N 2.88Å; F86-L95 HydrophobicContact CE1-CB 4.06Å
96L91.7Very high83.9Confident0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-107.898.4170.9-72.669.1000108.9T24 F25 A26 T81 S82 V83 T98 T111 A114 V115 F310 I373T24-L96 HydrophobicContact CG2-CD1 3.69Å; F25-L96 PolarHBondContact O-N 3.18Å; A26-L96 VanDerWaalsContact CA-O 3.23Å; A26-L96 WeakPolarHBondContact CA-O 3.44Å; A26-L96 WeakPolarHBondContact CB-O 3.31Å; T81-L96 HydrophobicContact CG2-CB 4.46Å; S82-L96 CarbonylContact O-C 3.56Å; S82-L96 WeakPolarHBondContact O-CA 3.46Å; V83-L96 HydrophobicContact CG2-CG 4.04Å; L96-T98 PolarHBondContact O-N 3.2Å; L96-T111 HydrophobicContact CB-CG2 3.59Å; L96-T111 HydrophobicContact CD2-CG2 3.82Å; L96-T111 HydrophobicContact CG-CG2 4.29Å; L96-A114 HydrophobicContact CD2-CB 3.94Å; L96-V115 HydrophobicContact CB-CG1 4.08Å; L96-V115 HydrophobicContact CD1-CG1 4.16Å; L96-V115 HydrophobicContact CD2-CG1 3.81Å; L96-V115 HydrophobicContact CG-CG1 4.22Å; L96-F310 HydrophobicContact CD2-CE1 4.49Å; L96-F310 HydrophobicContact CD2-CE2 3.82Å; L96-F310 HydrophobicContact CD2-CZ 3.65Å; L96-I373 HydrophobicContact CD1-CG1 4.03Å; L96-I373 HydrophobicContact CD2-CD1 4.48Å
97D85Confident83.4Confident9 Ų929.9 Ų29.95%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-78.3111.3-179.2-17636.8000110.2K35 T39 T81 S82 M84K35-D97 WeakPolarHBondContact CD-OD1 3.37Å; K35-D97 WeakPolarHBondContact CG-OD1 3.42Å; K35-D97 IonicContact NZ-OD1 3.84Å; K35-D97 PolarHBondContact NZ-OD1 2.98Å; K35-D97 IonicContact NZ-OD2 2.68Å; K35-D97 PolarHBondContact NZ-OD2 3.21Å; T39-D97 HydrophobicContact CG2-CB 4.47Å; T39-D97 PolarHBondContact OG1-OD1 3.41Å; T81-D97 WeakPolarHBondContact CA-O 3.04Å; T81-D97 VanDerWaalsContact CG2-O 3.23Å; T81-D97 WeakPolarHBondContact CG2-O 3.37Å; S82-D97 PolarHBondContact N-O 2.89Å; S82-D97 PolarHBondContact O-N 3.41Å; S82-D97 WeakPolarHBondContact OG-CB 3.3Å; M84-D97 HydrophobicContact CE-CB 4.26Å
98T80.8Confident83Confident1 Ų126.1 Ų26.11%0.00613%0.132CC..  trans-79.3156.2-17565.40000112.6A26 I27 K35 L96 G100 T108 T111A26-T98 HydrophobicContact CB-CG2 3.96Å; I27-T98 PolarHBondContact O-OG1 2.78Å; K35-T98 WeakPolarHBondContact CE-O 3.34Å; K35-T98 PolarHBondContact NZ-O 3.48Å; L96-T98 PolarHBondContact O-N 3.2Å; T98-G100 PolarHBondContact O-N 2.93Å; T98-T108 HydrophobicContact CG2-CG2 3.95Å; T98-T111 HydrophobicContact CG2-CG2 3.73Å
99P75.3Confident82.5Confident2 Ų226.5 Ų26.51%0.01313%0.133CC..  trans-60.8136.2171.5-25.935.9000111.6S78 I79 T81 F104 D107 T108S78-P99 VanDerWaalsContact O-CA 3.31Å; S78-P99 WeakPolarHBondContact O-CA 3.06Å; S78-P99 WeakPolarHBondContact O-CB 3.34Å; I79-P99 WeakPolarHBondContact O-CG 3.41Å; T81-P99 WeakPolarHBondContact OG1-CD 3.37Å; P99-F104 HydrophobicContact CB-CB 3.71Å; P99-F104 HydrophobicContact CG-CB 4.14Å; P99-D107 HydrophobicContact CG-CB 4.15Å; P99-D107 WeakPolarHBondContact CG-OD2 3.48Å; P99-T108 PolarHBondContact O-OG1 3.43Å
100G67.8Low82.3Confident8 Ų821 Ų218%0.08211%0.107CC..  trans-82.1-26.2-179.500000113.5P31 S78 T98P31-G100 WeakPolarHBondContact CG-O 3.37Å; S78-G100 PolarHBondContact O-N 3.42Å; S78-G100 VanDerWaalsContact O-N 3.09Å; T98-G100 PolarHBondContact O-N 2.93Å
101H71.5Confident82.3Confident42 Ų4215.7 Ų15.719%0.1948%0.079CC..SBendtrans-84.1145.4-173.1-168.8-71.9000112.3I77 D103 F104 R131 L453I77-H101 HydrophobicContact CB-CB 4.44Å; I77-H101 HydrophobicContact CD1-CB 4.2Å; H101-D103 IonicContact CE1-OD1 2.96Å; H101-D103 PolarHBondContact CE1-OD1 3.12Å; H101-D103 VanDerWaalsContact CE1-OD1 3.25Å; H101-D103 IonicContact CE1-OD2 3.91Å; H101-D103 WeakPolarHBondContact ND1-CB 3.47Å; H101-D103 PolarHBondContact ND1-N 3.06Å; H101-D103 IonicContact ND1-OD1 3.77Å; H101-D103 PolarHBondContact O-N 3.01Å; H101-F104 HydrophobicContact CB-CD2 4.11Å; H101-F104 PolarHBondContact O-N 3.03Å; H101-R131 PolarHBondContact O-NH2 3.25Å; H101-L453 HydrophobicContact CB-CD2 4.47Å; H101-L453 VanDerWaalsContact CD2-CD2 3.49Å; H101-L453 WeakPolarHBondContact CD2-CD2 3.45Å; H101-L453 WeakPolarHBondContact NE2-CD2 3.26Å
102E69Low82.1Confident111 Ų11115.2 Ų15.252%0.5198%0.076SC..G310 helixtrans-65.9-38.2-169.870.2-178.3154.500114.6F104 S105 R131 K134E102-F104 PolarHBondContact O-N 3Å; E102-S105 VanDerWaalsContact O-CB 3.31Å; E102-S105 WeakPolarHBondContact O-CB 2.97Å; E102-S105 PolarHBondContact O-N 2.87Å; E102-S105 PolarHBondContact O-OG 3.5Å; E102-R131 VanDerWaalsContact CA-NH1 3.28Å; E102-R131 PolarHBondContact O-NH1 3.16Å; E102-K134 IonicContact OE2-NZ 3.39Å
103D75.1Confident81.8Confident18 Ų1814 Ų1410%0.0967%0.07CC..G310 helixtrans-57.1-16.2176.6-63.621.2000115.1H101 G451 V452 L453 Q454H101-D103 IonicContact CE1-OD1 2.96Å; H101-D103 PolarHBondContact CE1-OD1 3.12Å; H101-D103 VanDerWaalsContact CE1-OD1 3.25Å; H101-D103 IonicContact CE1-OD2 3.91Å; H101-D103 WeakPolarHBondContact ND1-CB 3.47Å; H101-D103 PolarHBondContact ND1-N 3.06Å; H101-D103 IonicContact ND1-OD1 3.77Å; H101-D103 PolarHBondContact O-N 3.01Å; D103-G451 VanDerWaalsContact OD2-CA 3.31Å; D103-G451 WeakPolarHBondContact OD2-CA 3.43Å; D103-V452 PolarHBondContact OD2-N 3.29Å; D103-L453 HydrophobicContact CB-CB 4.14Å; D103-L453 WeakPolarHBondContact OD2-CA 3.49Å; D103-L453 WeakPolarHBondContact OD2-CB 3.45Å; D103-L453 PolarHBondContact OD2-N 3.47Å; D103-Q454 HydrophobicContact CB-CG 4.26Å; D103-Q454 WeakPolarHBondContact O-CG 3.41Å; D103-Q454 PolarHBondContact O-NE2 3.22Å; D103-Q454 PolarHBondContact O-OE1 3.25Å
104F77.3Confident81.7Confident12 Ų1214 Ų145%0.0537%0.07CC..G310 helixtrans-108.724.5177.1-57.5-80.9000112.2I79 P99 H101 E102 E106 D107 T108 L453 Q454 V457I79-F104 HydrophobicContact CB-CE2 4.38Å; I79-F104 HydrophobicContact CG1-CE2 4.12Å; I79-F104 HydrophobicContact CG2-CD1 4.27Å; I79-F104 HydrophobicContact CG2-CD2 4.32Å; I79-F104 HydrophobicContact CG2-CE1 3.79Å; I79-F104 HydrophobicContact CG2-CE2 3.85Å; I79-F104 HydrophobicContact CG2-CZ 3.59Å; P99-F104 HydrophobicContact CB-CB 3.71Å; P99-F104 HydrophobicContact CG-CB 4.14Å; H101-F104 HydrophobicContact CB-CD2 4.11Å; H101-F104 PolarHBondContact O-N 3.03Å; E102-F104 PolarHBondContact O-N 3Å; F104-E106 PolarHBondContact O-N 3.15Å; F104-D107 PolarHBondContact O-N 2.95Å; F104-T108 PolarHBondContact O-N 3.48Å; F104-T108 VanDerWaalsContact O-N 3.16Å; F104-T108 PolarHBondContact O-OG1 3.16Å; F104-L453 HydrophobicContact CE2-CD2 3.83Å; F104-L453 HydrophobicContact CE2-CG 3.96Å; F104-L453 HydrophobicContact CZ-CG 4.26Å; F104-Q454 HydrophobicContact CD1-CG 4.12Å; F104-Q454 HydrophobicContact CE1-CG 3.68Å; F104-Q454 HydrophobicContact CZ-CG 4.04Å; F104-V457 HydrophobicContact CZ-CB 4.29Å; F104-V457 HydrophobicContact CZ-CG2 3.76Å
105S73Confident81.7Confident12 Ų1214 Ų148%0.0847%0.069CC..Hα-helixtrans-51.3-38.4176.4540000113.4E102 T108 Y109E102-S105 VanDerWaalsContact O-CB 3.31Å; E102-S105 WeakPolarHBondContact O-CB 2.97Å; E102-S105 PolarHBondContact O-N 2.87Å; E102-S105 PolarHBondContact O-OG 3.5Å; S105-T108 CarbonylContact O-C 3.58Å; S105-T108 VanDerWaalsContact O-CB 3.32Å; S105-T108 WeakPolarHBondContact O-CB 3.35Å; S105-T108 PolarHBondContact O-N 3.48Å; S105-Y109 VanDerWaalsContact O-CD1 3.32Å; S105-Y109 WeakPolarHBondContact O-CD1 3.47Å; S105-Y109 VanDerWaalsContact O-CD2 3.31Å; S105-Y109 WeakPolarHBondContact O-CD2 3.26Å; S105-Y109 PolarHBondContact O-N 2.95Å
106E77.6Confident81.8Confident8 Ų814 Ų144%0.0377%0.069CC..Hα-helixtrans-62.1-44.8179.3179.1165.9-141.700112.6F104 T108 Y109 R110 N401 F402F104-E106 PolarHBondContact O-N 3.15Å; E106-T108 VanDerWaalsContact C-N 3.31Å; E106-T108 PolarHBondContact O-N 3.41Å; E106-Y109 PolarHBondContact O-N 2.88Å; E106-R110 WeakPolarHBondContact O-CB 3.07Å; E106-R110 WeakPolarHBondContact O-CG 3.26Å; E106-R110 PolarHBondContact O-N 3.41Å; E106-R110 IonicContact OE1-CZ 3.5Å; E106-R110 IonicContact OE1-NE 3.42Å; E106-R110 IonicContact OE1-NH2 3.54Å; E106-R110 PolarHBondContact OE1-NH2 2.94Å; E106-R110 IonicContact OE2-NH2 3.75Å; E106-N401 WeakPolarHBondContact OE1-CA 3Å; E106-N401 PolarHBondContact OE1-OD1 3.34Å; E106-F402 HydrophobicContact CB-CD2 3.99Å; E106-F402 HydrophobicContact CG-CD2 3.82Å; E106-F402 HydrophobicContact CG-CE2 4.39Å; E106-F402 PolarHBondContact OE1-N 3.09Å
107D80.4Confident82Confident22 Ų2214 Ų1412%0.1187%0.07CC..Hα-helixtrans-63.7-40174.8-169.830.8000110.3T81 P99 F104 T111 K311T81-D107 PolarHBondContact N-OD2 2.91Å; T81-D107 PolarHBondContact OG1-OD1 2.98Å; T81-D107 PolarHBondContact OG1-OD2 3.16Å; P99-D107 HydrophobicContact CG-CB 4.15Å; P99-D107 WeakPolarHBondContact CG-OD2 3.48Å; F104-D107 PolarHBondContact O-N 2.95Å; D107-T111 VanDerWaalsContact O-CB 3.28Å; D107-T111 WeakPolarHBondContact O-CB 3.4Å; D107-T111 PolarHBondContact O-N 2.89Å; D107-T111 PolarHBondContact O-OG1 2.79Å; D107-K311 WeakPolarHBondContact OD1-CD 3.42Å; D107-K311 IonicContact OD1-NZ 2.82Å; D107-K311 PolarHBondContact OD1-NZ 2.95Å; D107-K311 IonicContact OD2-NZ 3.83Å; D107-K311 PolarHBondContact OD2-NZ 3.33Å
108T81.4Confident82.5Confident0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-57.8-50.5172.5-53.70000111.4T98 P99 F104 S105 E106 R110 T111 L112 R131 L135T98-T108 HydrophobicContact CG2-CG2 3.95Å; P99-T108 PolarHBondContact O-OG1 3.43Å; F104-T108 PolarHBondContact O-N 3.48Å; F104-T108 VanDerWaalsContact O-N 3.16Å; F104-T108 PolarHBondContact O-OG1 3.16Å; S105-T108 CarbonylContact O-C 3.58Å; S105-T108 VanDerWaalsContact O-CB 3.32Å; S105-T108 WeakPolarHBondContact O-CB 3.35Å; S105-T108 PolarHBondContact O-N 3.48Å; E106-T108 VanDerWaalsContact C-N 3.31Å; E106-T108 PolarHBondContact O-N 3.41Å; T108-R110 PolarHBondContact O-N 3.17Å; T108-T111 WeakPolarHBondContact O-CB 3.24Å; T108-T111 PolarHBondContact O-N 2.85Å; T108-L112 HydrophobicContact CG2-CD1 4.24Å; T108-L112 HydrophobicContact CG2-CG 4.49Å; T108-L112 VanDerWaalsContact O-CG 3.3Å; T108-L112 WeakPolarHBondContact O-CG 3.48Å; T108-L112 PolarHBondContact O-N 3.33Å; T108-R131 PolarHBondContact OG1-NH2 2.98Å; T108-L135 HydrophobicContact CG2-CD2 3.38Å
109Y81.3Confident83.3Confident29 Ų2913.6 Ų13.611%0.1147%0.067CC..Hα-helixtrans-68.6-34.8-175.1-59-20.9000113.2S105 E106 L112 T113 L135 V138 R142 F402S105-Y109 VanDerWaalsContact O-CD1 3.32Å; S105-Y109 WeakPolarHBondContact O-CD1 3.47Å; S105-Y109 VanDerWaalsContact O-CD2 3.31Å; S105-Y109 WeakPolarHBondContact O-CD2 3.26Å; S105-Y109 PolarHBondContact O-N 2.95Å; E106-Y109 PolarHBondContact O-N 2.88Å; Y109-L112 PolarHBondContact O-N 2.98Å; Y109-T113 PolarHBondContact O-N 2.84Å; Y109-L135 HydrophobicContact CE1-CD2 4.26Å; Y109-V138 HydrophobicContact CD1-CB 3.93Å; Y109-V138 HydrophobicContact CD1-CG1 3.74Å; Y109-V138 HydrophobicContact CD1-CG2 3.53Å; Y109-V138 HydrophobicContact CD2-CG2 4.29Å; Y109-V138 HydrophobicContact CE1-CB 4.07Å; Y109-V138 HydrophobicContact CE1-CG1 4.39Å; Y109-V138 HydrophobicContact CE1-CG2 3.34Å; Y109-V138 HydrophobicContact CE2-CG2 4.1Å; Y109-V138 HydrophobicContact CG-CG1 4.07Å; Y109-V138 HydrophobicContact CG-CG2 4Å; Y109-R142 PolarHBondContact O-NH1 2.72Å; Y109-F402 HydrophobicContact CD2-CE1 4.37Å; Y109-F402 AromaticContact CD2-CE2 3.49Å; Y109-F402 HydrophobicContact CD2-CE2 3.49Å; Y109-F402 VanDerWaalsContact CD2-CE2 3.49Å; Y109-F402 AromaticContact CD2-CZ 3.4Å; Y109-F402 HydrophobicContact CD2-CZ 3.4Å; Y109-F402 VanDerWaalsContact CD2-CZ 3.4Å; Y109-F402 HydrophobicContact CE2-CE1 4.49Å; Y109-F402 HydrophobicContact CE2-CE2 4.27Å; Y109-F402 AromaticContact CE2-CZ 3.92Å; Y109-F402 HydrophobicContact CE2-CZ 3.92Å; Y109-F402 HydrophobicContact CG-CE2 4.42Å; Y109-F402 HydrophobicContact CG-CZ 4.45Å
110R85.2Confident84.3Confident10 Ų1013.5 Ų13.54%0.0387%0.067CC..Hα-helixtrans-67.6-42.3171-71.2173.8-176173.82.6111.2E106 T108 L112 T113 I399 P400E106-R110 WeakPolarHBondContact O-CB 3.07Å; E106-R110 WeakPolarHBondContact O-CG 3.26Å; E106-R110 PolarHBondContact O-N 3.41Å; E106-R110 IonicContact OE1-CZ 3.5Å; E106-R110 IonicContact OE1-NE 3.42Å; E106-R110 IonicContact OE1-NH2 3.54Å; E106-R110 PolarHBondContact OE1-NH2 2.94Å; E106-R110 IonicContact OE2-NH2 3.75Å; T108-R110 PolarHBondContact O-N 3.17Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-L112 PolarHBondContact O-N 2.92Å; R110-T113 VanDerWaalsContact O-CB 3.26Å; R110-T113 WeakPolarHBondContact O-CB 3.34Å; R110-T113 WeakPolarHBondContact O-CG2 3.48Å; R110-T113 PolarHBondContact O-N 3.38Å; R110-T113 PolarHBondContact O-OG1 2.74Å; R110-I399 HydrophobicContact CG-CG2 4.39Å; R110-P400 HydrophobicContact CG-CG 4.29Å; R110-P400 PolarHBondContact NE-O 2.68Å
111T88.5Confident85.6Confident0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-58.9-41.8174.3-59.70000111.3T81 L96 T98 D107 T108 T113 A114T81-T111 HydrophobicContact CG2-CG2 3.52Å; T81-T111 WeakPolarHBondContact CG2-OG1 3.23Å; T81-T111 PolarHBondContact OG1-OG1 2.85Å; L96-T111 HydrophobicContact CB-CG2 3.59Å; L96-T111 HydrophobicContact CD2-CG2 3.82Å; L96-T111 HydrophobicContact CG-CG2 4.29Å; T98-T111 HydrophobicContact CG2-CG2 3.73Å; D107-T111 VanDerWaalsContact O-CB 3.28Å; D107-T111 WeakPolarHBondContact O-CB 3.4Å; D107-T111 PolarHBondContact O-N 2.89Å; D107-T111 PolarHBondContact O-OG1 2.79Å; T108-T111 WeakPolarHBondContact O-CB 3.24Å; T108-T111 PolarHBondContact O-N 2.85Å; T111-T113 PolarHBondContact O-N 2.92Å; T111-T113 VanDerWaalsContact O-N 3.11Å; T111-A114 PolarHBondContact O-N 2.79Å
112L88.8Confident86.9Confident2 Ų211.2 Ų11.21%0.015%0.054CC..THydrogen-bonded Turntrans-64.3-11.8174.7-66.2176.8000113.8A26 I28 T108 Y109 R110 A114 V115 C118 V138 T139 R142A26-L112 HydrophobicContact CB-CD2 3.75Å; I28-L112 HydrophobicContact CG2-CD1 4.41Å; I28-L112 HydrophobicContact CG2-CD2 3.78Å; T108-L112 HydrophobicContact CG2-CD1 4.24Å; T108-L112 HydrophobicContact CG2-CG 4.49Å; T108-L112 VanDerWaalsContact O-CG 3.3Å; T108-L112 WeakPolarHBondContact O-CG 3.48Å; T108-L112 PolarHBondContact O-N 3.33Å; Y109-L112 PolarHBondContact O-N 2.98Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-L112 PolarHBondContact O-N 2.92Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-V115 HydrophobicContact CD2-CG2 4.25Å; L112-C118 WeakPolarHBondContact CD2-SG 3.44Å; L112-V138 HydrophobicContact CD1-CB 4.35Å; L112-V138 HydrophobicContact CD1-CG1 3.9Å; L112-T139 HydrophobicContact CD1-CG2 4.27Å; L112-R142 PolarHBondContact O-NH1 3.12Å; L112-R142 VanDerWaalsContact O-NH1 3.17Å
113T87Confident88.2Confident7 Ų76.1 Ų6.14%0.0433%0.031CC..THydrogen-bonded Turntrans-74.5-26.1172.4690000112.1Y109 R110 T111 R142 R291 I399Y109-T113 PolarHBondContact O-N 2.84Å; R110-T113 VanDerWaalsContact O-CB 3.26Å; R110-T113 WeakPolarHBondContact O-CB 3.34Å; R110-T113 WeakPolarHBondContact O-CG2 3.48Å; R110-T113 PolarHBondContact O-N 3.38Å; R110-T113 PolarHBondContact O-OG1 2.74Å; T111-T113 PolarHBondContact O-N 2.92Å; T111-T113 VanDerWaalsContact O-N 3.11Å; T113-R142 VanDerWaalsContact CG2-NH1 3.26Å; T113-R291 PolarHBondContact O-NH1 2.76Å; T113-I399 HydrophobicContact CG2-CG1 4.24Å
114A91.8Very high89.3Confident0 Ų05.3 Ų5.30%03%0.026CC..SBendtrans-96.7-4.2-16900000113.5L96 T111 L112 F310 R328L96-A114 HydrophobicContact CD2-CB 3.94Å; T111-A114 PolarHBondContact O-N 2.79Å; L112-A114 VanDerWaalsContact C-N 3.31Å; A114-F310 HydrophobicContact CB-CB 4.23Å; A114-F310 HydrophobicContact CB-CD1 3.53Å; A114-F310 HydrophobicContact CB-CD2 3.95Å; A114-F310 HydrophobicContact CB-CE1 3.76Å; A114-F310 HydrophobicContact CB-CE2 4.16Å; A114-F310 HydrophobicContact CB-CG 3.63Å; A114-F310 HydrophobicContact CB-CZ 4.06Å; A114-R328 HydrophobicContact CB-CB 4.17Å; A114-R328 PolarHBondContact O-NH1 3.2Å
115V94.5Very high90.2Very high0 Ų06.5 Ų6.50%04%0.038CC..  trans-105.7153.7-176.6-56.60000111.7T24 A26 L96 L112 C117 R291T24-V115 HydrophobicContact CG2-CG1 4.33Å; A26-V115 HydrophobicContact CB-CB 4.44Å; A26-V115 HydrophobicContact CB-CG1 3.83Å; A26-V115 HydrophobicContact CB-CG2 4.11Å; L96-V115 HydrophobicContact CB-CG1 4.08Å; L96-V115 HydrophobicContact CD1-CG1 4.16Å; L96-V115 HydrophobicContact CD2-CG1 3.81Å; L96-V115 HydrophobicContact CG-CG1 4.22Å; L112-V115 HydrophobicContact CD2-CG2 4.25Å; V115-C117 WeakPolarHBondContact CG2-O 3.2Å; V115-R291 VanDerWaalsContact C-NH2 3.34Å; V115-R291 PolarHBondContact O-NH2 3.11Å
116D95.2Very high91.3Very high0 Ų010.2 Ų10.20%05%0.053CC..SBendtrans-101.5-8.9177.6-49.3-64.1000111.4T24 P145 P286 M289 R291 R328T24-D116 WeakPolarHBondContact CB-OD2 3.14Å; T24-D116 PolarHBondContact O-N 3.5Å; D116-P145 WeakPolarHBondContact O-CD 3.49Å; D116-P286 HydrophobicContact CB-CG 4.02Å; D116-P286 WeakPolarHBondContact O-CG 3.29Å; D116-M289 HydrophobicContact CB-CE 4.16Å; D116-M289 HydrophobicContact CB-CG 4.41Å; D116-M289 WeakPolarHBondContact O-CE 3.28Å; D116-M289 PolarHBondContact OD1-N 2.68Å; D116-R291 IonicContact OD1-CZ 3.98Å; D116-R291 IonicContact OD1-NH2 3.56Å; D116-R291 PolarHBondContact OD1-NH2 3.04Å; D116-R328 VanDerWaalsContact CG-NH2 3.35Å; D116-R328 IonicContact OD1-NH2 3.65Å; D116-R328 PolarHBondContact OD1-NH2 3.42Å; D116-R328 IonicContact OD2-CZ 2.89Å; D116-R328 IonicContact OD2-NH1 3.26Å; D116-R328 PolarHBondContact OD2-NH1 2.89Å; D116-R328 IonicContact OD2-NH2 2.92Å; D116-R328 PolarHBondContact OD2-NH2 3.28Å
117C95.8Very high92.2Very high2 Ų29.9 Ų9.91%0.0145%0.052CC..EExtended strand (participates in β ladder)trans-156.2160.5-179.1-170.60000111.2T24 F25 A26 V115 P145 L147 A285T24-C117 PolarHBondContact O-N 3.4Å; F25-C117 WeakPolarHBondContact CA-O 3.21Å; F25-C117 HydrophobicContact CB-CB 4.13Å; F25-C117 WeakPolarHBondContact CB-O 3.29Å; A26-C117 PolarHBondContact N-O 3.37Å; A26-C117 VanDerWaalsContact N-O 3.12Å; V115-C117 WeakPolarHBondContact CG2-O 3.2Å; C117-P145 CarbonylContact C-O 3.42Å; C117-P145 WeakPolarHBondContact CA-O 3.34Å; C117-P145 PolarHBondContact SG-O 3.46Å; C117-L147 WeakPolarHBondContact SG-CD1 3.24Å; C117-A285 HydrophobicContact CB-CB 3.95Å
118C95.7Very high92.9Very high0 Ų09.2 Ų9.20%05%0.049CC..EExtended strand (participates in β ladder)trans-126.9142.9172.7-670000112A26 I28 L112 T139 P145 I146 L147A26-C118 CarbonylContact O-C 3.58Å; A26-C118 WeakPolarHBondContact O-CA 3.38Å; I28-C118 HydrophobicContact CD1-CB 4Å; I28-C118 HydrophobicContact CG1-CB 4.31Å; L112-C118 WeakPolarHBondContact CD2-SG 3.44Å; C118-T139 HydrophobicContact CB-CG2 4.36Å; C118-P145 PolarHBondContact N-O 2.86Å; C118-I146 HydrophobicContact CB-CG1 4.33Å; C118-I146 CarbonylContact O-C 3.44Å; C118-I146 WeakPolarHBondContact O-CA 3.3Å; C118-L147 PolarHBondContact O-N 3.34Å
119L96.5Very high93.5Very high0 Ų010.9 Ų10.90%06%0.056CC..EExtended strand (participates in β ladder)trans-99.9110.3164.1175.963.8000108.6F25 A26 I27 I28 I38 V121 L147 F149 M277F25-L119 HydrophobicContact CD2-CB 3.95Å; F25-L119 HydrophobicContact CE2-CB 3.93Å; F25-L119 HydrophobicContact CE2-CD2 4.28Å; A26-L119 PolarHBondContact O-N 3.22Å; I27-L119 WeakPolarHBondContact CA-O 3.42Å; I27-L119 HydrophobicContact CD1-CD2 4.4Å; I27-L119 HydrophobicContact CG1-CB 4.25Å; I27-L119 HydrophobicContact CG1-CD2 4.14Å; I28-L119 PolarHBondContact N-O 3.27Å; I38-L119 HydrophobicContact CG1-CD2 4.25Å; L119-V121 HydrophobicContact CD2-CG2 4.38Å; L119-V121 HydrophobicContact CG-CG2 4.21Å; L119-L147 CarbonylContact C-O 3.4Å; L119-L147 HydrophobicContact CD1-CB 4.21Å; L119-F149 HydrophobicContact CD1-CB 3.98Å; L119-M277 HydrophobicContact CD1-CE 4.41Å; L119-M277 HydrophobicContact CD1-CG 3.76Å; L119-M277 HydrophobicContact CD1-SD 3.63Å; L119-M277 HydrophobicContact CD2-CE 3.53Å; L119-M277 HydrophobicContact CD2-SD 3.66Å; L119-M277 HydrophobicContact CG-SD 4.25Å
120M96.3Very high93.8Very high1 Ų114.5 Ų14.51%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-87118.7173.4-177.1168.961.900110.5I28 I122 T132 I146 L147 T148 F149 L171I28-M120 HydrophobicContact CD1-CB 4.26Å; I28-M120 HydrophobicContact CG1-CB 4Å; I28-M120 HydrophobicContact CG1-CG 4.36Å; I28-M120 WeakPolarHBondContact O-CA 3.35Å; M120-I122 HydrophobicContact CE-CD1 3.96Å; M120-I122 HydrophobicContact CG-CD1 4.42Å; M120-I122 HydrophobicContact CG-CG1 4.15Å; M120-I122 HydrophobicContact SD-CD1 4.28Å; M120-T132 HydrophobicContact CG-CG2 4.25Å; M120-T132 HydrophobicContact SD-CG2 3.55Å; M120-T132 VanDerWaalsContact SD-CG2 3.55Å; M120-I146 HydrophobicContact CB-CG2 3.65Å; M120-I146 HydrophobicContact CE-CG2 4.35Å; M120-L147 PolarHBondContact N-O 3.45Å; M120-T148 HydrophobicContact CE-CG2 4.04Å; M120-T148 WeakPolarHBondContact CE-OG1 3.39Å; M120-T148 CarbonylContact O-C 3.48Å; M120-T148 WeakPolarHBondContact O-CA 3.34Å; M120-F149 PolarHBondContact O-N 3.22Å; M120-L171 HydrophobicContact CE-CD1 3.67Å; M120-L171 HydrophobicContact SD-CD1 3.62Å
121V96.4Very high93.7Very high0 Ų014.6 Ų14.60%08%0.078CC..EExtended strand (participates in β ladder)trans-103.9122.3178.3-175.40000109.1I27 I28 S29 A33 I38 L119 N151I27-V121 HydrophobicContact CG2-CG2 3.61Å; I28-V121 PolarHBondContact O-N 2.95Å; S29-V121 WeakPolarHBondContact CB-O 3.46Å; A33-V121 HydrophobicContact CB-CG1 4.5Å; I38-V121 HydrophobicContact CG2-CG2 3.87Å; L119-V121 HydrophobicContact CD2-CG2 4.38Å; L119-V121 HydrophobicContact CG-CG2 4.21Å; V121-N151 HydrophobicContact CG1-CB 3.88Å
122I97.5Very high93.8Very high2 Ų214.8 Ų14.81%0.018%0.079CC..EExtended strand (participates in β ladder)trans-115.6135.4178.8-64.7179.7000108.8M120 A124 G127 V128 T132 T148 F149 M150 N151 V167M120-I122 HydrophobicContact CE-CD1 3.96Å; M120-I122 HydrophobicContact CG-CD1 4.42Å; M120-I122 HydrophobicContact CG-CG1 4.15Å; M120-I122 HydrophobicContact SD-CD1 4.28Å; I122-A124 PolarHBondContact O-N 2.95Å; I122-G127 WeakPolarHBondContact CG2-O 3.41Å; I122-V128 HydrophobicContact CD1-CG2 4.42Å; I122-T132 HydrophobicContact CD1-CG2 4.49Å; I122-T132 HydrophobicContact CG1-CG2 4.45Å; I122-T148 HydrophobicContact CD1-CG2 4.02Å; I122-T148 HydrophobicContact CG1-CG2 4.49Å; I122-F149 PolarHBondContact N-O 3.2Å; I122-M150 HydrophobicContact CB-SD 3.88Å; I122-M150 HydrophobicContact CD1-CE 4.44Å; I122-M150 HydrophobicContact CD1-SD 4.41Å; I122-M150 HydrophobicContact CG2-SD 3.94Å; I122-N151 WeakPolarHBondContact O-CB 3.39Å; I122-N151 PolarHBondContact O-N 3.07Å; I122-V167 HydrophobicContact CD1-CG2 3.61Å
123D97.1Very high93.8Very high4 Ų418.5 Ų18.52%0.0219%0.093CC..EExtended strand (participates in β ladder)trans-74.5108.5167.9-174.3-15.9000108.5A33 A125 K126 G127 K152A33-D123 HydrophobicContact CB-CB 4.4Å; D123-A125 PolarHBondContact O-N 3.38Å; D123-A125 VanDerWaalsContact O-N 3.08Å; D123-A125 WeakPolarHBondContact OD1-CB 3.49Å; D123-A125 PolarHBondContact OD1-N 2.72Å; D123-K126 HydrophobicContact CB-CB 4.32Å; D123-K126 HydrophobicContact CB-CD 4.47Å; D123-K126 HydrophobicContact CB-CG 4.34Å; D123-K126 PolarHBondContact O-N 2.96Å; D123-G127 PolarHBondContact O-N 2.84Å; D123-K152 WeakPolarHBondContact OD2-CE 3.35Å; D123-K152 IonicContact OD2-NZ 3.9Å; D123-K152 PolarHBondContact OD2-NZ 2.95Å
124A97.7Very high93.6Very high0 Ų022.4 Ų22.40%011%0.109CC..THydrogen-bonded Turntrans-63.4-16.7-176.800000113.3I122 K126 M150 N151 L153 I157 R158 L163I122-A124 PolarHBondContact O-N 2.95Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-M150 HydrophobicContact CB-CB 4.34Å; A124-N151 VanDerWaalsContact CB-O 3.29Å; A124-N151 WeakPolarHBondContact CB-O 3.26Å; A124-N151 PolarHBondContact N-O 2.91Å; A124-L153 HydrophobicContact CB-CD2 4.23Å; A124-I157 HydrophobicContact CB-CB 3.92Å; A124-I157 HydrophobicContact CB-CD1 4.22Å; A124-I157 HydrophobicContact CB-CG2 3.57Å; A124-I157 WeakPolarHBondContact O-CB 3.37Å; A124-R158 PolarHBondContact O-N 2.89Å; A124-L163 HydrophobicContact CB-CD1 3.85Å; A124-L163 WeakPolarHBondContact O-CD1 3.24Å
125A96.6Very high93.4Very high38 Ų3822.6 Ų22.631%0.31411%0.11SC..THydrogen-bonded Turntrans-76.5-19.7172.700000113.5D123 D156D123-A125 PolarHBondContact O-N 3.38Å; D123-A125 VanDerWaalsContact O-N 3.08Å; D123-A125 WeakPolarHBondContact OD1-CB 3.49Å; D123-A125 PolarHBondContact OD1-N 2.72Å; A125-D156 WeakPolarHBondContact CB-O 3.38Å
126K96.2Very high93.1Very high90 Ų9022.8 Ų22.839%0.39111%0.111SC..THydrogen-bonded Turntrans-113.7-40.4-175.9-59.8-172-177.8177.80112.8D123 A124 E129 R158D123-K126 HydrophobicContact CB-CB 4.32Å; D123-K126 HydrophobicContact CB-CD 4.47Å; D123-K126 HydrophobicContact CB-CG 4.34Å; D123-K126 PolarHBondContact O-N 2.96Å; A124-K126 VanDerWaalsContact C-N 3.32Å; K126-E129 HydrophobicContact CB-CG 4.49Å; K126-E129 WeakPolarHBondContact CD-OE1 3.3Å; K126-E129 IonicContact NZ-OE1 3.57Å; K126-E129 PolarHBondContact NZ-OE1 2.94Å; K126-E129 IonicContact NZ-OE2 3.01Å; K126-R158 PolarHBondContact O-NH1 2.94Å
127G96Very high92.5Very high1 Ų128.7 Ų28.71%0.0114%0.139CC..  trans84.6-147.8-173.700000113I122 D123 E129 E166I122-G127 WeakPolarHBondContact CG2-O 3.41Å; D123-G127 PolarHBondContact O-N 2.84Å; G127-E129 PolarHBondContact O-N 3.03Å; G127-E166 WeakPolarHBondContact CA-OE2 3.42Å
128V95.7Very high91.7Very high8 Ų829.5 Ų29.55%0.04814%0.144CC..SBendtrans-74124.4-175.8-178.40000111.2I122 T132 R133 E166 V167 E170 L171I122-V128 HydrophobicContact CD1-CG2 4.42Å; V128-T132 HydrophobicContact CG1-CG2 4.3Å; V128-R133 HydrophobicContact CG1-CG 3.87Å; V128-E166 HydrophobicContact CB-CG 4.09Å; V128-E166 HydrophobicContact CG2-CG 3.95Å; V128-E166 PolarHBondContact N-OE2 3.08Å; V128-V167 HydrophobicContact CG2-CB 4.49Å; V128-V167 HydrophobicContact CG2-CG2 3.74Å; V128-E170 VanDerWaalsContact CB-OE2 3.32Å; V128-E170 WeakPolarHBondContact CB-OE2 3.25Å; V128-E170 HydrophobicContact CG1-CB 4.22Å; V128-E170 WeakPolarHBondContact CG1-OE2 2.81Å; V128-L171 HydrophobicContact CG1-CD1 4.25Å; V128-L171 HydrophobicContact CG1-CD2 3.65Å; V128-L171 HydrophobicContact CG1-CG 3.94Å; V128-L171 HydrophobicContact CG2-CD1 4.08Å; V128-L171 HydrophobicContact CG2-CG 4.15Å
129E93.6Very high91.2Very high34 Ų3429.6 Ų29.616%0.15914%0.144CC..  trans-114.9165.8179.4-66.6177.7110.600111.3H30 K126 G127 R131 T132 R133H30-E129 HydrophobicContact CB-CB 3.95Å; H30-E129 VanDerWaalsContact CB-OE2 3.29Å; H30-E129 WeakPolarHBondContact CB-OE2 3.38Å; H30-E129 IonicContact CD2-OE1 3.44Å; H30-E129 PolarHBondContact CD2-OE1 3.16Å; H30-E129 IonicContact CD2-OE2 3.75Å; H30-E129 PolarHBondContact CD2-OE2 3.45Å; H30-E129 VanDerWaalsContact CG-CB 3.49Å; H30-E129 IonicContact CG-OE2 2.69Å; H30-E129 VanDerWaalsContact ND1-CB 3.31Å; H30-E129 WeakPolarHBondContact ND1-CB 3.25Å; H30-E129 IonicContact NE2-OE1 2.78Å; H30-E129 IonicContact NE2-OE2 3.54Å; K126-E129 HydrophobicContact CB-CG 4.49Å; K126-E129 WeakPolarHBondContact CD-OE1 3.3Å; K126-E129 IonicContact NZ-OE1 3.57Å; K126-E129 PolarHBondContact NZ-OE1 2.94Å; K126-E129 IonicContact NZ-OE2 3.01Å; G127-E129 PolarHBondContact O-N 3.03Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.13Å; E129-R131 VanDerWaalsContact O-N 3.16Å; E129-T132 WeakPolarHBondContact O-CA 3.06Å; E129-T132 WeakPolarHBondContact O-CB 3.28Å; E129-T132 PolarHBondContact O-N 3.37Å; E129-R133 PolarHBondContact O-N 3.36Å
130D87.9Confident90.6Very high105 Ų10534.3 Ų34.356%0.56116%0.162SC*.Hα-helixtrans-54.2-41.4-172.9-72.6-36.3000114.3T132 R133 K134D130-T132 VanDerWaalsContact C-N 3.31Å; D130-T132 PolarHBondContact O-N 3.44Å; D130-R133 PolarHBondContact O-N 3.47Å; D130-R133 IonicContact OD1-CZ 2.82Å; D130-R133 IonicContact OD1-NH1 3.17Å; D130-R133 PolarHBondContact OD1-NH1 2.93Å; D130-K134 PolarHBondContact O-N 3.14Å; D130-K134 VanDerWaalsContact O-N 3.09Å
131R83.6Confident89.6Confident12 Ų1241.4 Ų41.45%0.04520%0.199CC..Hα-helixtrans-65.7-36.2177.4-174.257.7170.2-158.8-6.8111.7H30 H101 E102 T108 E129 R133 K134 L135H30-R131 HydrophobicContact CB-CB 4.35Å; H30-R131 VanDerWaalsContact ND1-CB 3.25Å; H30-R131 WeakPolarHBondContact ND1-CB 3.28Å; H101-R131 PolarHBondContact O-NH2 3.25Å; E102-R131 VanDerWaalsContact CA-NH1 3.28Å; E102-R131 PolarHBondContact O-NH1 3.16Å; T108-R131 PolarHBondContact OG1-NH2 2.98Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.13Å; E129-R131 VanDerWaalsContact O-N 3.16Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-K134 PolarHBondContact O-N 3.46Å; R131-L135 HydrophobicContact CG-CD1 3.75Å; R131-L135 HydrophobicContact CG-CG 4.26Å; R131-L135 WeakPolarHBondContact O-CB 3.49Å; R131-L135 WeakPolarHBondContact O-CG 3.5Å; R131-L135 PolarHBondContact O-N 2.97Å
132T89.5Confident88.8Confident4 Ų444.6 Ų44.63%0.02521%0.211CC..Hα-helixtrans-60.7-44.9175.4-50.50000110M120 I122 V128 E129 D130 L135 M136 L171M120-T132 HydrophobicContact CG-CG2 4.25Å; M120-T132 HydrophobicContact SD-CG2 3.55Å; M120-T132 VanDerWaalsContact SD-CG2 3.55Å; I122-T132 HydrophobicContact CD1-CG2 4.49Å; I122-T132 HydrophobicContact CG1-CG2 4.45Å; V128-T132 HydrophobicContact CG1-CG2 4.3Å; E129-T132 WeakPolarHBondContact O-CA 3.06Å; E129-T132 WeakPolarHBondContact O-CB 3.28Å; E129-T132 PolarHBondContact O-N 3.37Å; D130-T132 VanDerWaalsContact C-N 3.31Å; D130-T132 PolarHBondContact O-N 3.44Å; T132-L135 PolarHBondContact O-N 3.22Å; T132-M136 WeakPolarHBondContact O-CB 3.34Å; T132-M136 PolarHBondContact O-N 3.44Å; T132-L171 HydrophobicContact CG2-CD1 3.77Å; T132-L171 HydrophobicContact CG2-CD2 4.34Å
133R89.2Confident88.2Confident81 Ų8150 Ų5031%0.30624%0.24SC..Hα-helixtrans-59.9-49.4176.2-58.5-179.9-168.8118.5-0.4112.2V128 E129 D130 R131 L135 M136 E137 E170 L171V128-R133 HydrophobicContact CG1-CG 3.87Å; E129-R133 PolarHBondContact O-N 3.36Å; D130-R133 PolarHBondContact O-N 3.47Å; D130-R133 IonicContact OD1-CZ 2.82Å; D130-R133 IonicContact OD1-NH1 3.17Å; D130-R133 PolarHBondContact OD1-NH1 2.93Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 3.35Å; R133-M136 WeakPolarHBondContact O-CB 3.02Å; R133-M136 PolarHBondContact O-N 3.38Å; R133-E137 PolarHBondContact O-N 3Å; R133-E170 IonicContact CZ-OE1 3.38Å; R133-E170 IonicContact CZ-OE2 3.56Å; R133-E170 IonicContact NE-OE2 2.79Å; R133-E170 PolarHBondContact NE-OE2 3.34Å; R133-E170 IonicContact NH2-OE1 3.54Å; R133-E170 PolarHBondContact NH2-OE1 2.97Å; R133-E170 IonicContact NH2-OE2 3.24Å; R133-E170 PolarHBondContact NH2-OE2 3.33Å; R133-L171 HydrophobicContact CB-CD2 4.41Å; R133-L171 HydrophobicContact CG-CD2 3.99Å
134K83.7Confident88Confident89 Ų8950.1 Ų50.139%0.38724%0.241SC..Hα-helixtrans-61-41.2178.2-69.6178.9-177.9176.50112.8E102 D130 R131 M136 E137 V138E102-K134 IonicContact OE2-NZ 3.39Å; D130-K134 PolarHBondContact O-N 3.14Å; D130-K134 VanDerWaalsContact O-N 3.09Å; R131-K134 PolarHBondContact O-N 3.46Å; K134-M136 VanDerWaalsContact C-N 3.34Å; K134-E137 PolarHBondContact O-N 3.42Å; K134-V138 PolarHBondContact O-N 3.03Å
135L85.6Confident87.9Confident4 Ų450.1 Ų50.12%0.02124%0.241CC..Hα-helixtrans-68-38.1178.2-68.6168000111.2I28 S29 T108 Y109 R131 T132 R133 E137 V138 T139I28-L135 HydrophobicContact CB-CB 4.38Å; I28-L135 HydrophobicContact CB-CD1 4Å; I28-L135 HydrophobicContact CD1-CB 4.35Å; S29-L135 WeakPolarHBondContact O-CD1 3.36Å; T108-L135 HydrophobicContact CG2-CD2 3.38Å; Y109-L135 HydrophobicContact CE1-CD2 4.26Å; R131-L135 HydrophobicContact CG-CD1 3.75Å; R131-L135 HydrophobicContact CG-CG 4.26Å; R131-L135 WeakPolarHBondContact O-CB 3.49Å; R131-L135 WeakPolarHBondContact O-CG 3.5Å; R131-L135 PolarHBondContact O-N 2.97Å; T132-L135 PolarHBondContact O-N 3.22Å; R133-L135 PolarHBondContact O-N 3.35Å; L135-E137 PolarHBondContact O-N 2.97Å; L135-V138 PolarHBondContact O-N 3.49Å; L135-T139 PolarHBondContact O-N 3.44Å; L135-T139 VanDerWaalsContact O-N 3.1Å; L135-T139 PolarHBondContact O-OG1 2.66Å
136M88.4Confident87.9Confident4 Ų448.4 Ų48.42%0.0223%0.227CC..Hα-helixtrans-61.3-41.8175.8-172.268.9-167.400112.3T132 R133 K134 V138 T139 R140 I146 L171 I173T132-M136 WeakPolarHBondContact O-CB 3.34Å; T132-M136 PolarHBondContact O-N 3.44Å; R133-M136 WeakPolarHBondContact O-CB 3.02Å; R133-M136 PolarHBondContact O-N 3.38Å; K134-M136 VanDerWaalsContact C-N 3.34Å; M136-V138 VanDerWaalsContact C-N 3.26Å; M136-V138 PolarHBondContact O-N 3.36Å; M136-T139 VanDerWaalsContact CA-OG1 3.28Å; M136-T139 WeakPolarHBondContact CA-OG1 3.4Å; M136-T139 PolarHBondContact O-N 3.17Å; M136-T139 PolarHBondContact O-OG1 3.02Å; M136-R140 HydrophobicContact CE-CG 3.96Å; M136-R140 VanDerWaalsContact CE-NE 3.34Å; M136-R140 HydrophobicContact CG-CG 4.42Å; M136-R140 VanDerWaalsContact CG-NE 3.34Å; M136-R140 WeakPolarHBondContact O-CB 3.24Å; M136-R140 WeakPolarHBondContact O-CD 3.45Å; M136-R140 WeakPolarHBondContact O-CG 3.44Å; M136-R140 PolarHBondContact O-N 3.31Å; M136-I146 HydrophobicContact CE-CD1 3.64Å; M136-I146 HydrophobicContact SD-CD1 3.31Å; M136-I146 WeakPolarHBondContact SD-CD1 3.46Å; M136-L171 HydrophobicContact CB-CD2 4Å; M136-L171 HydrophobicContact CG-CB 4.04Å; M136-L171 HydrophobicContact CG-CD2 4.21Å; M136-L171 HydrophobicContact SD-CB 4.44Å; M136-I173 HydrophobicContact CE-CB 3.88Å; M136-I173 HydrophobicContact CE-CD1 3.87Å; M136-I173 HydrophobicContact CE-CG1 4.42Å; M136-I173 HydrophobicContact CE-CG2 4.02Å
137E83.1Confident87.9Confident123 Ų12344.1 Ų44.158%0.57521%0.208SC*.Hα-helixtrans-57.7-40.7175.9-72.6175.4178.300111.7R133 K134 L135 R140 L141R133-E137 PolarHBondContact O-N 3Å; K134-E137 PolarHBondContact O-N 3.42Å; L135-E137 PolarHBondContact O-N 2.97Å; E137-R140 PolarHBondContact O-N 3.39Å; E137-L141 WeakPolarHBondContact O-CG 3.4Å; E137-L141 PolarHBondContact O-N 3.15Å
138V80.2Confident88Confident19 Ų1944 Ų4412%0.11521%0.207CC..Hα-helixtrans-72.5-37.5180177.50000112.7Y109 L112 K134 L135 M136 R140Y109-V138 HydrophobicContact CD1-CB 3.93Å; Y109-V138 HydrophobicContact CD1-CG1 3.74Å; Y109-V138 HydrophobicContact CD1-CG2 3.53Å; Y109-V138 HydrophobicContact CD2-CG2 4.29Å; Y109-V138 HydrophobicContact CE1-CB 4.07Å; Y109-V138 HydrophobicContact CE1-CG1 4.39Å; Y109-V138 HydrophobicContact CE1-CG2 3.34Å; Y109-V138 HydrophobicContact CE2-CG2 4.1Å; Y109-V138 HydrophobicContact CG-CG1 4.07Å; Y109-V138 HydrophobicContact CG-CG2 4Å; L112-V138 HydrophobicContact CD1-CB 4.35Å; L112-V138 HydrophobicContact CD1-CG1 3.9Å; K134-V138 PolarHBondContact O-N 3.03Å; L135-V138 PolarHBondContact O-N 3.49Å; M136-V138 VanDerWaalsContact C-N 3.26Å; M136-V138 PolarHBondContact O-N 3.36Å; V138-R140 VanDerWaalsContact C-N 3.32Å
139T84.6Confident88.2Confident3 Ų343.7 Ų43.72%0.01821%0.205CC..Hα-helixtrans-67-34.2174.446.30000112.3I28 L112 C118 L135 M136 R142 D143 T144 I146I28-T139 HydrophobicContact CD1-CG2 3.97Å; L112-T139 HydrophobicContact CD1-CG2 4.27Å; C118-T139 HydrophobicContact CB-CG2 4.36Å; L135-T139 PolarHBondContact O-N 3.44Å; L135-T139 VanDerWaalsContact O-N 3.1Å; L135-T139 PolarHBondContact O-OG1 2.66Å; M136-T139 VanDerWaalsContact CA-OG1 3.28Å; M136-T139 WeakPolarHBondContact CA-OG1 3.4Å; M136-T139 PolarHBondContact O-N 3.17Å; M136-T139 PolarHBondContact O-OG1 3.02Å; T139-R142 PolarHBondContact O-N 3.38Å; T139-D143 PolarHBondContact O-N 3.01Å; T139-T144 PolarHBondContact O-N 2.85Å; T139-I146 HydrophobicContact CG2-CD1 4.29Å; T139-I146 WeakPolarHBondContact OG1-CD1 3.35Å
140R83.1Confident88.4Confident99 Ų9942 Ų4237%0.37420%0.198SC..Hα-helixtrans-67.4-38.3177.2-75162.4173.3-121.3-54.5113.6M136 E137 V138 R142 D143 L171 K172M136-R140 HydrophobicContact CE-CG 3.96Å; M136-R140 VanDerWaalsContact CE-NE 3.34Å; M136-R140 HydrophobicContact CG-CG 4.42Å; M136-R140 VanDerWaalsContact CG-NE 3.34Å; M136-R140 WeakPolarHBondContact O-CB 3.24Å; M136-R140 WeakPolarHBondContact O-CD 3.45Å; M136-R140 WeakPolarHBondContact O-CG 3.44Å; M136-R140 PolarHBondContact O-N 3.31Å; E137-R140 PolarHBondContact O-N 3.39Å; V138-R140 VanDerWaalsContact C-N 3.32Å; R140-R142 PolarHBondContact O-N 2.59Å; R140-D143 PolarHBondContact O-N 3.27Å; R140-D143 VanDerWaalsContact O-N 3.16Å; R140-L171 PolarHBondContact NE-O 3.38Å; R140-L171 PolarHBondContact NH1-O 2.71Å; R140-L171 PolarHBondContact NH2-O 3.18Å; R140-K172 VanDerWaalsContact NH2-CB 3.3Å; R140-K172 PolarHBondContact NH2-O 3.41Å
141L76.6Confident88.9Confident149 Ų14937.2 Ų37.278%0.7817%0.172SC*.THydrogen-bonded Turntrans-60.6-9.7177.4-72.5170.9000113.4E137E137-L141 WeakPolarHBondContact O-CG 3.4Å; E137-L141 PolarHBondContact O-N 3.15Å
142R78.7Confident89.5Confident67 Ų6737.7 Ų37.725%0.25317%0.174SC..THydrogen-bonded Turntrans-129.412.8-179.2-62.7-165.9-178124.511.3113.6Y109 L112 T113 T139 R140 T144 G398Y109-R142 PolarHBondContact O-NH1 2.72Å; L112-R142 PolarHBondContact O-NH1 3.12Å; L112-R142 VanDerWaalsContact O-NH1 3.17Å; T113-R142 VanDerWaalsContact CG2-NH1 3.26Å; T139-R142 PolarHBondContact O-N 3.38Å; R140-R142 PolarHBondContact O-N 2.59Å; R142-T144 PolarHBondContact O-N 2.99Å; R142-T144 PolarHBondContact O-OG1 3.17Å; R142-G398 PolarHBondContact NH2-O 2.88Å
143D85.1Confident89.8Confident115 Ų11537.5 Ų37.562%0.61517%0.173SC*.THydrogen-bonded Turntrans47.836.8-178.4-50.9-46.7000112.2T139 R140 P145T139-D143 PolarHBondContact O-N 3.01Å; R140-D143 PolarHBondContact O-N 3.27Å; R140-D143 VanDerWaalsContact O-N 3.16Å; D143-P145 VanDerWaalsContact O-CD 3.32Å; D143-P145 WeakPolarHBondContact O-CD 3.43Å
144T91.9Very high90Very high7 Ų735.7 Ų35.74%0.04317%0.169CC..  trans-77.7121.8-174.3-58.70000109.3T139 R142 I146T139-T144 PolarHBondContact O-N 2.85Å; R142-T144 PolarHBondContact O-N 2.99Å; R142-T144 PolarHBondContact O-OG1 3.17Å; T144-I146 WeakPolarHBondContact O-CG1 3.26Å
145P96.1Very high90.6Very high0 Ų037.4 Ų37.40%017%0.173CC..  trans-58.6140.2178.2-27.636.9000112.6D116 C117 C118 D143 F255 L256 P286D116-P145 WeakPolarHBondContact O-CD 3.49Å; C117-P145 CarbonylContact C-O 3.42Å; C117-P145 WeakPolarHBondContact CA-O 3.34Å; C117-P145 PolarHBondContact SG-O 3.46Å; C118-P145 PolarHBondContact N-O 2.86Å; D143-P145 VanDerWaalsContact O-CD 3.32Å; D143-P145 WeakPolarHBondContact O-CD 3.43Å; P145-F255 HydrophobicContact CB-CD2 4.31Å; P145-F255 HydrophobicContact CB-CE1 4.12Å; P145-F255 HydrophobicContact CB-CE2 3.79Å; P145-F255 HydrophobicContact CB-CZ 3.68Å; P145-F255 WeakPolarHBondContact CB-O 3.28Å; P145-L256 HydrophobicContact CG-CD2 4.34Å; P145-P286 HydrophobicContact CG-CG 4.28Å
146I96.5Very high91Very high2 Ų243.3 Ų43.31%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-126.9129.9-175-55.9176.1000110C118 M120 M136 T139 T144 I173 F255 T261 P262C118-I146 HydrophobicContact CB-CG1 4.33Å; C118-I146 CarbonylContact O-C 3.44Å; C118-I146 WeakPolarHBondContact O-CA 3.3Å; M120-I146 HydrophobicContact CB-CG2 3.65Å; M120-I146 HydrophobicContact CE-CG2 4.35Å; M136-I146 HydrophobicContact CE-CD1 3.64Å; M136-I146 HydrophobicContact SD-CD1 3.31Å; M136-I146 WeakPolarHBondContact SD-CD1 3.46Å; T139-I146 HydrophobicContact CG2-CD1 4.29Å; T139-I146 WeakPolarHBondContact OG1-CD1 3.35Å; T144-I146 WeakPolarHBondContact O-CG1 3.26Å; I146-I173 HydrophobicContact CB-CD1 4.5Å; I146-F255 WeakPolarHBondContact O-CE2 3.1Å; I146-T261 WeakPolarHBondContact O-CA 3.47Å; I146-T261 VanDerWaalsContact O-CB 3.27Å; I146-T261 WeakPolarHBondContact O-CB 3.12Å; I146-T261 PolarHBondContact O-OG1 3.24Å; I146-P262 WeakPolarHBondContact O-CD 3.39Å
147L97.5Very high91.3Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-99.8142.6163.2-61.189000108.9C117 C118 L119 M120 F255 P262 F264 L281C117-L147 WeakPolarHBondContact SG-CD1 3.24Å; C118-L147 PolarHBondContact O-N 3.34Å; L119-L147 CarbonylContact C-O 3.4Å; L119-L147 HydrophobicContact CD1-CB 4.21Å; M120-L147 PolarHBondContact N-O 3.45Å; L147-F255 HydrophobicContact CD1-CE2 3.94Å; L147-F255 HydrophobicContact CD1-CZ 3.69Å; L147-F255 HydrophobicContact CG-CE2 4.01Å; L147-F255 HydrophobicContact CG-CZ 4.11Å; L147-P262 HydrophobicContact CB-CG 4.15Å; L147-P262 HydrophobicContact CD2-CG 4.01Å; L147-P262 HydrophobicContact CG-CG 3.72Å; L147-F264 HydrophobicContact CD2-CE2 4.11Å; L147-L281 HydrophobicContact CD2-CB 4.07Å
148T98.2Very high92Very high0 Ų042.3 Ų42.30%020%0.197CC..EExtended strand (participates in β ladder)trans-110131.4178.5-59.90000110.8M120 I122 M150 T261 P262 V263 F264M120-T148 HydrophobicContact CE-CG2 4.04Å; M120-T148 WeakPolarHBondContact CE-OG1 3.39Å; M120-T148 CarbonylContact O-C 3.48Å; M120-T148 WeakPolarHBondContact O-CA 3.34Å; I122-T148 HydrophobicContact CD1-CG2 4.02Å; I122-T148 HydrophobicContact CG1-CG2 4.49Å; T148-M150 HydrophobicContact CG2-CE 4.17Å; T148-M150 HydrophobicContact CG2-SD 4.34Å; T148-T261 WeakPolarHBondContact CB-OG1 3.47Å; T148-T261 PolarHBondContact N-OG1 2.96Å; T148-T261 WeakPolarHBondContact OG1-CG2 3.47Å; T148-T261 PolarHBondContact OG1-OG1 2.96Å; T148-P262 PolarHBondContact N-O 2.93Å; T148-V263 HydrophobicContact CG2-CG1 4.32Å; T148-F264 PolarHBondContact O-N 2.8Å
149F98.5Very high92.7Very high0 Ų044.4 Ų44.40%021%0.208CC..EExtended strand (participates in β ladder)trans-118109.3171.9-173.9-102.2000110.6I38 L119 M120 I122 N151 F264 V274 M277I38-F149 HydrophobicContact CD1-CD1 4.04Å; I38-F149 HydrophobicContact CD1-CE1 3.81Å; I38-F149 HydrophobicContact CD1-CZ 4.24Å; L119-F149 HydrophobicContact CD1-CB 3.98Å; M120-F149 PolarHBondContact O-N 3.22Å; I122-F149 PolarHBondContact N-O 3.2Å; F149-N151 HydrophobicContact CD1-CB 3.83Å; F149-N151 HydrophobicContact CE1-CB 3.82Å; F149-N151 PolarHBondContact O-N 2.91Å; F149-F264 CarbonylContact C-O 3.55Å; F149-F264 WeakPolarHBondContact CA-O 3.42Å; F149-F264 HydrophobicContact CD2-CB 3.81Å; F149-F264 HydrophobicContact CE2-CB 4.47Å; F149-V274 HydrophobicContact CZ-CG2 4.38Å; F149-M277 HydrophobicContact CD2-CB 4.05Å; F149-M277 HydrophobicContact CD2-CG 4.24Å
150M98.3Very high93.3Very high0 Ų044.9 Ų44.90%021%0.211CC..EExtended strand (participates in β ladder)trans-76.6100.3171.9-62.9-61.2-169.800108.9I122 A124 T148 L163 L164 V167 V263 F264 F265 G266I122-M150 HydrophobicContact CB-SD 3.88Å; I122-M150 HydrophobicContact CD1-CE 4.44Å; I122-M150 HydrophobicContact CD1-SD 4.41Å; I122-M150 HydrophobicContact CG2-SD 3.94Å; A124-M150 HydrophobicContact CB-CB 4.34Å; T148-M150 HydrophobicContact CG2-CE 4.17Å; T148-M150 HydrophobicContact CG2-SD 4.34Å; M150-L163 HydrophobicContact CE-CB 4.1Å; M150-L164 HydrophobicContact CE-CD2 4.32Å; M150-V167 HydrophobicContact CE-CG2 3.85Å; M150-V263 HydrophobicContact CE-CG1 4.16Å; M150-V263 HydrophobicContact CG-CG1 3.76Å; M150-F264 PolarHBondContact N-O 2.86Å; M150-F265 HydrophobicContact CB-CD1 3.51Å; M150-F265 HydrophobicContact CB-CD2 4.44Å; M150-F265 HydrophobicContact CB-CE1 3.65Å; M150-F265 HydrophobicContact CB-CG 3.96Å; M150-F265 HydrophobicContact CB-CZ 4.23Å; M150-F265 HydrophobicContact CG-CD1 4.02Å; M150-F265 HydrophobicContact CG-CD2 4.41Å; M150-F265 HydrophobicContact CG-CE1 3.69Å; M150-F265 HydrophobicContact CG-CE2 4.16Å; M150-F265 HydrophobicContact CG-CG 4.4Å; M150-F265 HydrophobicContact CG-CZ 3.8Å; M150-G266 PolarHBondContact O-N 3.47Å
151N97.8Very high93.9Very high4 Ų442.6 Ų42.62%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-93.9166.6-171.1-166.721.2000112.2A33 V121 I122 A124 F149 G266 A268A33-N151 PolarHBondContact O-ND2 2.95Å; V121-N151 HydrophobicContact CG1-CB 3.88Å; I122-N151 WeakPolarHBondContact O-CB 3.39Å; I122-N151 PolarHBondContact O-N 3.07Å; A124-N151 VanDerWaalsContact CB-O 3.29Å; A124-N151 WeakPolarHBondContact CB-O 3.26Å; A124-N151 PolarHBondContact N-O 2.91Å; F149-N151 HydrophobicContact CD1-CB 3.83Å; F149-N151 HydrophobicContact CE1-CB 3.82Å; F149-N151 PolarHBondContact O-N 2.91Å; N151-G266 CarbonylContact C-O 3.59Å; N151-G266 WeakPolarHBondContact CA-O 3.49Å; N151-A268 WeakPolarHBondContact OD1-CB 3.45Å; N151-A268 PolarHBondContact OD1-N 2.78Å
152K96.6Very high94.8Very high22 Ų2240.6 Ų40.610%0.09619%0.192CC..  trans69.135.6173.8-47.8-169.8-168168.70115.1D32 D123 D154 R155 G266D32-K152 VanDerWaalsContact O-CE 3.26Å; D32-K152 WeakPolarHBondContact O-CE 3.42Å; D32-K152 PolarHBondContact O-NZ 3.2Å; D123-K152 WeakPolarHBondContact OD2-CE 3.35Å; D123-K152 IonicContact OD2-NZ 3.9Å; D123-K152 PolarHBondContact OD2-NZ 2.95Å; K152-D154 WeakPolarHBondContact CA-OD1 3.27Å; K152-D154 PolarHBondContact O-N 3.47Å; K152-R155 HydrophobicContact CB-CG 4.37Å; K152-R155 WeakPolarHBondContact O-CB 3.25Å; K152-R155 PolarHBondContact O-N 2.76Å; K152-G266 PolarHBondContact N-O 2.91Å
153L96.7Very high95.6Very high0 Ų037.4 Ų37.40%018%0.18CC..THydrogen-bonded Turntrans-62.7-10.4172.3-65.9-167.9000115.1A124 R155 I157 P181 G185 F188 F265 G266A124-L153 HydrophobicContact CB-CD2 4.23Å; L153-R155 PolarHBondContact O-N 2.78Å; L153-I157 HydrophobicContact CD2-CD1 3.41Å; L153-I157 VanDerWaalsContact CD2-CD1 3.41Å; L153-I157 HydrophobicContact CD2-CG1 4.16Å; L153-I157 HydrophobicContact CD2-CG2 3.95Å; L153-P181 HydrophobicContact CD1-CB 3.63Å; L153-G185 PolarHBondContact O-N 3.44Å; L153-F188 HydrophobicContact CB-CD1 4.03Å; L153-F188 HydrophobicContact CB-CD2 3.99Å; L153-F188 HydrophobicContact CB-CE1 3.93Å; L153-F188 HydrophobicContact CB-CE2 3.85Å; L153-F188 HydrophobicContact CB-CG 4.08Å; L153-F188 HydrophobicContact CB-CZ 3.84Å; L153-F188 HydrophobicContact CD1-CD2 4.15Å; L153-F188 HydrophobicContact CD1-CE1 4.49Å; L153-F188 HydrophobicContact CD1-CE2 3.38Å; L153-F188 HydrophobicContact CD1-CZ 3.6Å; L153-F188 HydrophobicContact CG-CE2 4.28Å; L153-F188 HydrophobicContact CG-CZ 4.39Å; L153-F188 WeakPolarHBondContact O-CB 3.19Å; L153-F265 HydrophobicContact CD1-CB 3.86Å; L153-F265 HydrophobicContact CD1-CD1 4.25Å; L153-F265 HydrophobicContact CD2-CD1 4.28Å; L153-G266 WeakPolarHBondContact CG-O 3.46Å; L153-G266 PolarHBondContact N-O 3Å
154D93.6Very high96.2Very high43 Ų4332.3 Ų32.323%0.2315%0.153CC..THydrogen-bonded Turntrans-69.7-3.316759.7-72.5000113.6K152 T267K152-D154 WeakPolarHBondContact CA-OD1 3.27Å; K152-D154 PolarHBondContact O-N 3.47Å; D154-T267 VanDerWaalsContact OD1-CB 3.31Å; D154-T267 WeakPolarHBondContact OD1-CB 3.36Å; D154-T267 PolarHBondContact OD1-OG1 3.02Å
155R94.4Very high96.4Very high124 Ų12436.2 Ų36.247%0.46817%0.173SC..SBendtrans-116166.1176.7-54.8-176.9-178.9-168.6-5.5110.7K152 L153 I157 G185K152-R155 HydrophobicContact CB-CG 4.37Å; K152-R155 WeakPolarHBondContact O-CB 3.25Å; K152-R155 PolarHBondContact O-N 2.76Å; L153-R155 PolarHBondContact O-N 2.78Å; R155-I157 PolarHBondContact O-N 3Å; R155-G185 VanDerWaalsContact O-CA 3.28Å; R155-G185 WeakPolarHBondContact O-CA 3.36Å; R155-G185 PolarHBondContact O-N 3.06Å
156D94.5Very high96.5Very high128 Ų12837.7 Ų37.768%0.68418%0.18SC*.  trans-67.3121.9169.5-57.2-30.2000107.8A125A125-D156 WeakPolarHBondContact CB-O 3.38Å
157I95.9Very high96.5Very high29 Ų2937.7 Ų37.715%0.14918%0.18CC..  trans-110.2168.6-177.161.8153.6000111.1A124 L153 R155 P160 C184A124-I157 HydrophobicContact CB-CB 3.92Å; A124-I157 HydrophobicContact CB-CD1 4.22Å; A124-I157 HydrophobicContact CB-CG2 3.57Å; A124-I157 WeakPolarHBondContact O-CB 3.37Å; L153-I157 HydrophobicContact CD2-CD1 3.41Å; L153-I157 VanDerWaalsContact CD2-CD1 3.41Å; L153-I157 HydrophobicContact CD2-CG1 4.16Å; L153-I157 HydrophobicContact CD2-CG2 3.95Å; R155-I157 PolarHBondContact O-N 3Å; I157-P160 HydrophobicContact CD1-CG 4.13Å; I157-C184 HydrophobicContact CD1-CB 4.3Å; I157-C184 HydrophobicContact CG1-CB 3.56Å
158R96.8Very high96.4Very high77 Ų7740.3 Ų40.329%0.29119%0.193SC..  trans-69.2165.1165.8-67.1175.661.4-173.1-6.6110.1A124 K126 L163 E166A124-R158 PolarHBondContact O-N 2.89Å; K126-R158 PolarHBondContact O-NH1 2.94Å; R158-L163 HydrophobicContact CB-CD1 4.28Å; R158-L163 HydrophobicContact CB-CD2 4.02Å; R158-L163 HydrophobicContact CB-CG 3.97Å; R158-E166 IonicContact CZ-OE1 2.68Å; R158-E166 IonicContact CZ-OE2 2.79Å; R158-E166 IonicContact NH1-OE1 3.47Å; R158-E166 PolarHBondContact NH1-OE1 2.77Å; R158-E166 IonicContact NH1-OE2 2.71Å; R158-E166 PolarHBondContact NH1-OE2 2.81Å; R158-E166 IonicContact NH2-OE1 3.93Å; R158-E166 PolarHBondContact NH2-OE1 2.87Å; R158-E166 IonicContact NH2-OE2 3.34Å
159D95.7Very high96.3Very high63 Ų6345 Ų4534%0.33722%0.218SC..  trans-56.5128.3174.5179.6-93.6000110.6M161 E162 L163D159-M161 VanDerWaalsContact C-N 3.29Å; D159-M161 PolarHBondContact O-N 2.75Å; D159-M161 WeakPolarHBondContact OD1-CA 3.38Å; D159-M161 VanDerWaalsContact OD1-CB 3.26Å; D159-M161 WeakPolarHBondContact OD1-CB 3.33Å; D159-M161 PolarHBondContact OD1-N 2.97Å; D159-E162 HydrophobicContact CB-CB 4.07Å; D159-E162 HydrophobicContact CB-CG 3.87Å; D159-E162 PolarHBondContact O-N 3.34Å; D159-E162 PolarHBondContact OD1-N 2.94Å; D159-L163 WeakPolarHBondContact O-CG 3.21Å; D159-L163 PolarHBondContact O-N 2.81Å
160P96.8Very high96.2Very high14 Ų1448.6 Ų48.69%0.09123%0.234CC..Hα-helixtrans-58.6-34.3-178.7-28.236.5000114.5I157 L163 L164 W180 P181 F265I157-P160 HydrophobicContact CD1-CG 4.13Å; P160-L163 PolarHBondContact O-N 2.87Å; P160-L164 WeakPolarHBondContact O-CG 3.44Å; P160-L164 PolarHBondContact O-N 3Å; P160-L164 VanDerWaalsContact O-N 3.13Å; P160-W180 HydrophobicContact CB-CH2 3.66Å; P160-W180 HydrophobicContact CB-CZ2 3.58Å; P160-W180 HydrophobicContact CB-CZ3 4.33Å; P160-W180 HydrophobicContact CG-CZ2 4.42Å; P160-P181 HydrophobicContact CB-CG 4.06Å; P160-P181 HydrophobicContact CG-CG 3.56Å; P160-F265 HydrophobicContact CB-CE1 3.93Å; P160-F265 HydrophobicContact CB-CZ 3.94Å; P160-F265 HydrophobicContact CG-CE1 4.47Å
161M95Very high96Very high50 Ų5048.6 Ų48.625%0.24624%0.235CC..Hα-helixtrans-71.3-44.2177.9-57.2178.2-172.800110.3D159 L163 L164 D165 W180 E239 L242 V243D159-M161 VanDerWaalsContact C-N 3.29Å; D159-M161 PolarHBondContact O-N 2.75Å; D159-M161 WeakPolarHBondContact OD1-CA 3.38Å; D159-M161 VanDerWaalsContact OD1-CB 3.26Å; D159-M161 WeakPolarHBondContact OD1-CB 3.33Å; D159-M161 PolarHBondContact OD1-N 2.97Å; M161-L163 PolarHBondContact O-N 3.28Å; M161-L164 WeakPolarHBondContact O-CB 3.42Å; M161-L164 PolarHBondContact O-N 2.88Å; M161-L164 VanDerWaalsContact O-N 3.09Å; M161-D165 PolarHBondContact O-N 3.43Å; M161-W180 HydrophobicContact CE-CZ2 4.2Å; M161-W180 HydrophobicContact CG-CH2 3.79Å; M161-W180 HydrophobicContact CG-CZ2 3.82Å; M161-E239 HydrophobicContact CE-CB 3.65Å; M161-E239 HydrophobicContact CE-CG 3.72Å; M161-L242 HydrophobicContact CE-CB 3.95Å; M161-L242 HydrophobicContact CE-CD1 3.96Å; M161-L242 HydrophobicContact SD-CD1 4.37Å; M161-V243 HydrophobicContact CE-CG2 4.09Å
162E95.7Very high95.9Very high107 Ų10755 Ų5550%0.526%0.262SS..Hα-helixtrans-58.3-35.7173.6-68.5-176.8179.900112.4D159 E166D159-E162 HydrophobicContact CB-CB 4.07Å; D159-E162 HydrophobicContact CB-CG 3.87Å; D159-E162 PolarHBondContact O-N 3.34Å; D159-E162 PolarHBondContact OD1-N 2.94Å; E162-E166 VanDerWaalsContact O-CB 3.3Å; E162-E166 WeakPolarHBondContact O-CB 3.41Å; E162-E166 PolarHBondContact O-N 3.27Å
163L97Very high95.8Very high0 Ų054.1 Ų54.10%026%0.258CS..Hα-helixtrans-66.9-39.8175.5-73.4171000112.3A124 M150 R158 D159 P160 M161 V167A124-L163 HydrophobicContact CB-CD1 3.85Å; A124-L163 WeakPolarHBondContact O-CD1 3.24Å; M150-L163 HydrophobicContact CE-CB 4.1Å; R158-L163 HydrophobicContact CB-CD1 4.28Å; R158-L163 HydrophobicContact CB-CD2 4.02Å; R158-L163 HydrophobicContact CB-CG 3.97Å; D159-L163 WeakPolarHBondContact O-CG 3.21Å; D159-L163 PolarHBondContact O-N 2.81Å; P160-L163 PolarHBondContact O-N 2.87Å; M161-L163 PolarHBondContact O-N 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.47Å; L163-V167 PolarHBondContact O-N 2.88Å
164L97.1Very high95.8Very high9 Ų954.8 Ų54.85%0.04727%0.266CS..Hα-helixtrans-63.7-50.4173.5-63.4-168.6000110.4M150 P160 M161 E166 V167 E168 C175 P177 W180 V263 F265M150-L164 HydrophobicContact CE-CD2 4.32Å; P160-L164 WeakPolarHBondContact O-CG 3.44Å; P160-L164 PolarHBondContact O-N 3Å; P160-L164 VanDerWaalsContact O-N 3.13Å; M161-L164 WeakPolarHBondContact O-CB 3.42Å; M161-L164 PolarHBondContact O-N 2.88Å; M161-L164 VanDerWaalsContact O-N 3.09Å; L164-E166 PolarHBondContact O-N 2.81Å; L164-V167 WeakPolarHBondContact O-CB 3.39Å; L164-V167 PolarHBondContact O-N 3.06Å; L164-E168 WeakPolarHBondContact O-CG 3.27Å; L164-E168 PolarHBondContact O-N 2.76Å; L164-C175 HydrophobicContact CB-CB 4.17Å; L164-C175 HydrophobicContact CD1-CB 4.32Å; L164-C175 HydrophobicContact CD2-CB 3.92Å; L164-C175 HydrophobicContact CG-CB 4.36Å; L164-P177 HydrophobicContact CD1-CG 3.48Å; L164-P177 VanDerWaalsContact CD1-CG 3.48Å; L164-W180 HydrophobicContact CD1-CH2 4.26Å; L164-W180 HydrophobicContact CD1-CZ3 3.87Å; L164-W180 HydrophobicContact CG-CZ3 4.46Å; L164-V263 HydrophobicContact CD2-CB 4.21Å; L164-V263 HydrophobicContact CD2-CG1 3.89Å; L164-V263 HydrophobicContact CD2-CG2 4Å; L164-F265 HydrophobicContact CD2-CZ 4.43Å
165D96.1Very high96Very high88 Ų8852.8 Ų52.847%0.47126%0.255SS..Hα-helixtrans-57.4-39.8179.4-74.3-8.4000111.3M161 E168 N169M161-D165 PolarHBondContact O-N 3.43Å; D165-E168 PolarHBondContact O-N 3.13Å; D165-N169 WeakPolarHBondContact O-CB 3.48Å; D165-N169 VanDerWaalsContact O-CG 3.25Å; D165-N169 PolarHBondContact O-N 3.02Å; D165-N169 PolarHBondContact O-ND2 3Å
166E97.1Very high96.2Very high32 Ų3246.9 Ų46.915%0.1523%0.233CC..Hα-helixtrans-65.1-44.3175.7-174.5-180-118.900112G127 V128 R158 E162 L164 N169 E170G127-E166 WeakPolarHBondContact CA-OE2 3.42Å; V128-E166 HydrophobicContact CB-CG 4.09Å; V128-E166 HydrophobicContact CG2-CG 3.95Å; V128-E166 PolarHBondContact N-OE2 3.08Å; R158-E166 IonicContact CZ-OE1 2.68Å; R158-E166 IonicContact CZ-OE2 2.79Å; R158-E166 IonicContact NH1-OE1 3.47Å; R158-E166 PolarHBondContact NH1-OE1 2.77Å; R158-E166 IonicContact NH1-OE2 2.71Å; R158-E166 PolarHBondContact NH1-OE2 2.81Å; R158-E166 IonicContact NH2-OE1 3.93Å; R158-E166 PolarHBondContact NH2-OE1 2.87Å; R158-E166 IonicContact NH2-OE2 3.34Å; E162-E166 VanDerWaalsContact O-CB 3.3Å; E162-E166 WeakPolarHBondContact O-CB 3.41Å; E162-E166 PolarHBondContact O-N 3.27Å; L164-E166 PolarHBondContact O-N 2.81Å; E166-N169 PolarHBondContact O-N 3.26Å; E166-E170 HydrophobicContact CG-CG 4.14Å; E166-E170 VanDerWaalsContact O-CB 3.27Å; E166-E170 WeakPolarHBondContact O-CB 3.16Å; E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 2.9Å
167V97.1Very high96.3Very high1 Ų140.8 Ų40.81%0.00620%0.2CC..Hα-helixtrans-59.9-47.9174.5167.50000110.6I122 V128 M150 L163 L164 N169 L171 I173 C175I122-V167 HydrophobicContact CD1-CG2 3.61Å; V128-V167 HydrophobicContact CG2-CB 4.49Å; V128-V167 HydrophobicContact CG2-CG2 3.74Å; M150-V167 HydrophobicContact CE-CG2 3.85Å; L163-V167 WeakPolarHBondContact O-CG2 3.47Å; L163-V167 PolarHBondContact O-N 2.88Å; L164-V167 WeakPolarHBondContact O-CB 3.39Å; L164-V167 PolarHBondContact O-N 3.06Å; V167-N169 PolarHBondContact O-N 3.31Å; V167-L171 HydrophobicContact CG1-CD1 4.22Å; V167-L171 WeakPolarHBondContact O-CA 3.39Å; V167-L171 WeakPolarHBondContact O-CB 3.3Å; V167-L171 PolarHBondContact O-N 3.24Å; V167-I173 HydrophobicContact CG1-CG2 3.97Å; V167-C175 WeakPolarHBondContact CG1-SG 3.32Å
168E96.6Very high96.4Very high55 Ų5539.4 Ų39.426%0.25719%0.193SC..Hα-helixtrans-62.6-44.8179.2-64.8-168.1161.500111.9L164 D165 K172 I173 C175 N248L164-E168 WeakPolarHBondContact O-CG 3.27Å; L164-E168 PolarHBondContact O-N 2.76Å; D165-E168 PolarHBondContact O-N 3.13Å; E168-K172 WeakPolarHBondContact O-CA 3.39Å; E168-K172 PolarHBondContact O-N 2.82Å; E168-I173 WeakPolarHBondContact CA-O 3.28Å; E168-I173 WeakPolarHBondContact CG-O 3.44Å; E168-C175 HydrophobicContact CG-CB 3.99Å; E168-C175 WeakPolarHBondContact OE1-CB 3.29Å; E168-C175 PolarHBondContact OE1-N 3.24Å; E168-N248 PolarHBondContact OE1-ND2 2.86Å
169N96.1Very high96.5Very high100 Ų10035.8 Ų35.854%0.53518%0.18SC..Hα-helixtrans-74-41.3-175.9-76.9-53.2000113.2D165 E166 V167 K172D165-N169 WeakPolarHBondContact O-CB 3.48Å; D165-N169 VanDerWaalsContact O-CG 3.25Å; D165-N169 PolarHBondContact O-N 3.02Å; D165-N169 PolarHBondContact O-ND2 3Å; E166-N169 PolarHBondContact O-N 3.26Å; V167-N169 PolarHBondContact O-N 3.31Å; N169-K172 VanDerWaalsContact O-CD 3.31Å; N169-K172 WeakPolarHBondContact O-CD 3.49Å; N169-K172 WeakPolarHBondContact O-CE 3.47Å; N169-K172 PolarHBondContact O-NZ 3.32Å
170E95.7Very high96.6Very high74 Ų7432.8 Ų32.835%0.34616%0.164SC..Hα-helixtrans-88.7-41.2-175.9-63.3-159.3161.700112.8V128 R133 E166V128-E170 VanDerWaalsContact CB-OE2 3.32Å; V128-E170 WeakPolarHBondContact CB-OE2 3.25Å; V128-E170 HydrophobicContact CG1-CB 4.22Å; V128-E170 WeakPolarHBondContact CG1-OE2 2.81Å; R133-E170 IonicContact CZ-OE1 3.38Å; R133-E170 IonicContact CZ-OE2 3.56Å; R133-E170 IonicContact NE-OE2 2.79Å; R133-E170 PolarHBondContact NE-OE2 3.34Å; R133-E170 IonicContact NH2-OE1 3.54Å; R133-E170 PolarHBondContact NH2-OE1 2.97Å; R133-E170 IonicContact NH2-OE2 3.24Å; R133-E170 PolarHBondContact NH2-OE2 3.33Å; E166-E170 HydrophobicContact CG-CG 4.14Å; E166-E170 VanDerWaalsContact O-CB 3.27Å; E166-E170 WeakPolarHBondContact O-CB 3.16Å; E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 2.9Å
171L94.9Very high96.7Very high1 Ų132.3 Ų32.31%0.00516%0.161CC..Hα-helixtrans-94.1-2.3-178.1-52.8-175.9000112.3M120 V128 T132 R133 M136 R140 V167 I173M120-L171 HydrophobicContact CE-CD1 3.67Å; M120-L171 HydrophobicContact SD-CD1 3.62Å; V128-L171 HydrophobicContact CG1-CD1 4.25Å; V128-L171 HydrophobicContact CG1-CD2 3.65Å; V128-L171 HydrophobicContact CG1-CG 3.94Å; V128-L171 HydrophobicContact CG2-CD1 4.08Å; V128-L171 HydrophobicContact CG2-CG 4.15Å; T132-L171 HydrophobicContact CG2-CD1 3.77Å; T132-L171 HydrophobicContact CG2-CD2 4.34Å; R133-L171 HydrophobicContact CB-CD2 4.41Å; R133-L171 HydrophobicContact CG-CD2 3.99Å; M136-L171 HydrophobicContact CB-CD2 4Å; M136-L171 HydrophobicContact CG-CB 4.04Å; M136-L171 HydrophobicContact CG-CD2 4.21Å; M136-L171 HydrophobicContact SD-CB 4.44Å; R140-L171 PolarHBondContact NE-O 3.38Å; R140-L171 PolarHBondContact NH1-O 2.71Å; R140-L171 PolarHBondContact NH2-O 3.18Å; V167-L171 HydrophobicContact CG1-CD1 4.22Å; V167-L171 WeakPolarHBondContact O-CA 3.39Å; V167-L171 WeakPolarHBondContact O-CB 3.3Å; V167-L171 PolarHBondContact O-N 3.24Å; L171-I173 VanDerWaalsContact C-N 3.26Å; L171-I173 HydrophobicContact CB-CG2 4.03Å; L171-I173 PolarHBondContact O-N 3.22Å
172K94.2Very high96.8Very high137 Ų13730 Ų3060%0.59615%0.149SC*.  trans49.241.8175.3-51-64.8-173.2-161.20113.5R140 E168 N169R140-K172 VanDerWaalsContact NH2-CB 3.3Å; R140-K172 PolarHBondContact NH2-O 3.41Å; E168-K172 WeakPolarHBondContact O-CA 3.39Å; E168-K172 PolarHBondContact O-N 2.82Å; N169-K172 VanDerWaalsContact O-CD 3.31Å; N169-K172 WeakPolarHBondContact O-CD 3.49Å; N169-K172 WeakPolarHBondContact O-CE 3.47Å; N169-K172 PolarHBondContact O-NZ 3.32Å
173I95.6Very high96.7Very high4 Ų425.9 Ų25.92%0.02114%0.135CC..  trans-131134.8178.6-175168.1000108.1M136 I146 V167 E168 L171 E259 T261M136-I173 HydrophobicContact CE-CB 3.88Å; M136-I173 HydrophobicContact CE-CD1 3.87Å; M136-I173 HydrophobicContact CE-CG1 4.42Å; M136-I173 HydrophobicContact CE-CG2 4.02Å; I146-I173 HydrophobicContact CB-CD1 4.5Å; V167-I173 HydrophobicContact CG1-CG2 3.97Å; E168-I173 WeakPolarHBondContact CA-O 3.28Å; E168-I173 WeakPolarHBondContact CG-O 3.44Å; L171-I173 VanDerWaalsContact C-N 3.26Å; L171-I173 HydrophobicContact CB-CG2 4.03Å; L171-I173 PolarHBondContact O-N 3.22Å; I173-E259 WeakPolarHBondContact CG1-O 3.42Å; I173-T261 HydrophobicContact CD1-CG2 3.98Å; I173-T261 HydrophobicContact CG1-CG2 4.09Å; I173-T261 HydrophobicContact CG2-CG2 4.08Å
174G96.6Very high96.6Very high15 Ų1527.7 Ų27.716%0.15515%0.147CC..EExtended strand (participates in β ladder)trans-67.6138.117900000111.5E259 I260 T261G174-E259 PolarHBondContact N-O 3.32Å; G174-I260 CarbonylContact O-C 3.59Å; G174-I260 WeakPolarHBondContact O-CA 3.27Å; G174-T261 PolarHBondContact O-N 2.67Å
175C97.8Very high96.4Very high0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-93.2128.1174.6-740000110.2L164 V167 E168 N248 V263L164-C175 HydrophobicContact CB-CB 4.17Å; L164-C175 HydrophobicContact CD1-CB 4.32Å; L164-C175 HydrophobicContact CD2-CB 3.92Å; L164-C175 HydrophobicContact CG-CB 4.36Å; V167-C175 WeakPolarHBondContact CG1-SG 3.32Å; E168-C175 HydrophobicContact CG-CB 3.99Å; E168-C175 WeakPolarHBondContact OE1-CB 3.29Å; E168-C175 PolarHBondContact OE1-N 3.24Å; C175-N248 PolarHBondContact N-ND2 3.47Å; C175-N248 WeakPolarHBondContact O-CB 3.49Å; C175-N248 PolarHBondContact O-N 2.87Å; C175-N248 PolarHBondContact O-ND2 2.82Å; C175-N248 VanDerWaalsContact O-ND2 3.14Å; C175-V263 HydrophobicContact CB-CG2 3.89Å
176A97.7Very high96.2Very high0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-117.394.6172.400000110I178 N248 F250 I260 T261 P262 V263A176-I178 PolarHBondContact O-N 2.79Å; A176-N248 WeakPolarHBondContact CA-O 3.43Å; A176-F250 HydrophobicContact CB-CB 4.1Å; A176-F250 HydrophobicContact CB-CD2 4.36Å; A176-I260 HydrophobicContact CB-CD1 4.12Å; A176-T261 PolarHBondContact N-O 2.76Å; A176-P262 CarbonylContact O-C 3.54Å; A176-P262 VanDerWaalsContact O-CA 3.28Å; A176-P262 WeakPolarHBondContact O-CA 3.26Å; A176-V263 PolarHBondContact O-N 2.94Å
177P98Very high96Very high1 Ų137.1 Ų37.11%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-63.1124.5-177.4-24.837.9000111.9L164 W180 L194 Y195 V243L164-P177 HydrophobicContact CD1-CG 3.48Å; L164-P177 VanDerWaalsContact CD1-CG 3.48Å; P177-W180 HydrophobicContact CB-CE3 4.17Å; P177-W180 HydrophobicContact CB-CZ3 4.34Å; P177-W180 HydrophobicContact CG-CZ3 4.28Å; P177-L194 HydrophobicContact CB-CD2 4.32Å; P177-Y195 WeakPolarHBondContact O-CE2 3.39Å; P177-V243 HydrophobicContact CB-CG1 4.19Å; P177-V243 HydrophobicContact CG-CG1 3.92Å
178I97.9Very high96Very high0 Ų037.6 Ų37.60%019%0.192CC..SBendtrans-96.1-43.3174.1-54.2-53.6000110.5A176 L194 Y195 F250 P262 V263 F264 W284A176-I178 PolarHBondContact O-N 2.79Å; I178-L194 PolarHBondContact O-N 2.76Å; I178-Y195 HydrophobicContact CD1-CD2 4.08Å; I178-Y195 HydrophobicContact CD1-CE2 3.51Å; I178-Y195 HydrophobicContact CG2-CD2 4.36Å; I178-F250 HydrophobicContact CD1-CB 3.82Å; I178-F250 HydrophobicContact CD1-CD2 4.13Å; I178-F250 HydrophobicContact CD1-CG 3.92Å; I178-P262 HydrophobicContact CD1-CB 3.85Å; I178-P262 HydrophobicContact CG1-CB 3.51Å; I178-V263 PolarHBondContact N-O 2.95Å; I178-F264 HydrophobicContact CB-CD1 4.13Å; I178-F264 HydrophobicContact CB-CE1 3.75Å; I178-F264 HydrophobicContact CB-CE2 4.34Å; I178-F264 HydrophobicContact CB-CZ 3.88Å; I178-F264 HydrophobicContact CG1-CE1 4.23Å; I178-F264 HydrophobicContact CG1-CE2 3.99Å; I178-F264 HydrophobicContact CG1-CZ 3.82Å; I178-F264 HydrophobicContact CG2-CD1 4.23Å; I178-F264 HydrophobicContact CG2-CE1 3.49Å; I178-F264 VanDerWaalsContact CG2-CE1 3.49Å; I178-F264 HydrophobicContact CG2-CZ 3.8Å; I178-W284 HydrophobicContact CD1-CH2 3.81Å; I178-W284 HydrophobicContact CD1-CZ3 4.05Å; I178-W284 HydrophobicContact CG1-CH2 3.91Å; I178-W284 HydrophobicContact CG1-CZ3 3.91Å; I178-W284 HydrophobicContact CG2-CH2 3.93Å
179T98Very high96Very high1 Ų138.7 Ų38.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-123.5145.1176.263.10000110V191 Y192 V263 F264 F265 H276T179-V191 HydrophobicContact CG2-CG2 4.28Å; T179-Y192 CarbonylContact C-O 3.37Å; T179-Y192 WeakPolarHBondContact CA-O 3.31Å; T179-V263 PolarHBondContact N-O 2.92Å; T179-F264 HydrophobicContact CG2-CD1 3.96Å; T179-F264 HydrophobicContact CG2-CE1 4.45Å; T179-F264 WeakPolarHBondContact OG1-CA 3.34Å; T179-F265 WeakPolarHBondContact O-CD2 3.42Å; T179-F265 PolarHBondContact OG1-N 2.75Å; T179-H276 HydrophobicContact CG2-CB 4.34Å
180W97.9Very high96Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-119.3136.7177.1-162.1-101.9000111.3P160 M161 L164 P177 V191 Y192 L194 L236 E239 L240 V243 F265P160-W180 HydrophobicContact CB-CH2 3.66Å; P160-W180 HydrophobicContact CB-CZ2 3.58Å; P160-W180 HydrophobicContact CB-CZ3 4.33Å; P160-W180 HydrophobicContact CG-CZ2 4.42Å; M161-W180 HydrophobicContact CE-CZ2 4.2Å; M161-W180 HydrophobicContact CG-CH2 3.79Å; M161-W180 HydrophobicContact CG-CZ2 3.82Å; L164-W180 HydrophobicContact CD1-CH2 4.26Å; L164-W180 HydrophobicContact CD1-CZ3 3.87Å; L164-W180 HydrophobicContact CG-CZ3 4.46Å; P177-W180 HydrophobicContact CB-CE3 4.17Å; P177-W180 HydrophobicContact CB-CZ3 4.34Å; P177-W180 HydrophobicContact CG-CZ3 4.28Å; W180-V191 CarbonylContact O-C 3.59Å; W180-V191 WeakPolarHBondContact O-CA 3.37Å; W180-V191 WeakPolarHBondContact O-CB 3.47Å; W180-Y192 PolarHBondContact N-O 2.8Å; W180-Y192 PolarHBondContact O-N 2.91Å; W180-L194 HydrophobicContact CB-CD1 3.93Å; W180-L236 HydrophobicContact CG-CD1 4.5Å; W180-E239 PolarHBondContact NE1-OE2 3.3Å; W180-L240 HydrophobicContact CB-CD2 3.84Å; W180-L240 HydrophobicContact CG-CD2 3.94Å; W180-V243 HydrophobicContact CD2-CG2 4.14Å; W180-V243 HydrophobicContact CE3-CG1 4.31Å; W180-V243 HydrophobicContact CE3-CG2 4Å; W180-V243 HydrophobicContact CH2-CG2 3.39Å; W180-V243 HydrophobicContact CZ2-CG2 3.53Å; W180-V243 HydrophobicContact CZ3-CG1 4.25Å; W180-V243 HydrophobicContact CZ3-CG2 3.65Å; W180-F265 HydrophobicContact CE3-CE2 4.25Å; W180-F265 HydrophobicContact CZ3-CE2 4.28Å; W180-F265 HydrophobicContact CZ3-CZ 4.41Å
181P97.8Very high96.1Very high4 Ų430.4 Ų30.43%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-71.9144.5-178.632.1-35.4000112.5L153 P160 F188 F265L153-P181 HydrophobicContact CD1-CB 3.63Å; P160-P181 HydrophobicContact CB-CG 4.06Å; P160-P181 HydrophobicContact CG-CG 3.56Å; P181-F188 HydrophobicContact CB-CE2 4.41Å; P181-F265 HydrophobicContact CB-CB 4.39Å; P181-F265 HydrophobicContact CB-CD1 4.16Å; P181-F265 HydrophobicContact CB-CG 4.46Å; P181-F265 HydrophobicContact CG-CD1 3.68Å; P181-F265 HydrophobicContact CG-CE1 3.96Å; P181-F265 HydrophobicContact CG-CG 4.14Å
182I97.5Very high96.2Very high2 Ų230.4 Ų30.41%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-108.9100170.9-51.5175.7000108.1K189 G190 T199 V228 L232 L236I182-K189 HydrophobicContact CB-CB 4.42Å; I182-K189 HydrophobicContact CG2-CB 4.19Å; I182-K189 PolarHBondContact O-N 2.67Å; I182-G190 PolarHBondContact N-O 2.82Å; I182-T199 HydrophobicContact CD1-CG2 3.41Å; I182-T199 VanDerWaalsContact CD1-CG2 3.41Å; I182-V228 HydrophobicContact CD1-CG1 4.34Å; I182-V228 HydrophobicContact CG2-CB 4.09Å; I182-V228 HydrophobicContact CG2-CG1 4.23Å; I182-V228 HydrophobicContact CG2-CG2 4.14Å; I182-L232 HydrophobicContact CG2-CB 4.15Å; I182-L236 HydrophobicContact CD1-CD2 3.69Å; I182-L236 HydrophobicContact CG1-CD1 4.05Å; I182-L236 HydrophobicContact CG1-CD2 3.87Å; I182-L236 HydrophobicContact CG1-CG 4.45Å
183G95.1Very high96.4Very high19 Ų1924.4 Ų24.420%0.19613%0.129CC..SBendtrans67.8-174.4-170.600000113F188G183-F188 WeakPolarHBondContact O-CD2 3.41Å
184C93.9Very high96.4Very high38 Ų3825.2 Ų25.226%0.25713%0.133SC..  trans-151171.2175.1630000111.4I157 K186 L187 F188I157-C184 HydrophobicContact CD1-CB 4.3Å; I157-C184 HydrophobicContact CG1-CB 3.56Å; C184-K186 PolarHBondContact O-N 3.27Å; C184-L187 CarbonylContact O-C 3.58Å; C184-L187 WeakPolarHBondContact O-CA 3.48Å; C184-L187 WeakPolarHBondContact O-CB 3.42Å; C184-L187 PolarHBondContact O-N 2.85Å; C184-F188 PolarHBondContact O-N 3.38Å; C184-F188 VanDerWaalsContact O-N 3.09Å
185G93.1Very high96.3Very high9 Ų929.9 Ų29.99%0.09315%0.147CC..G310 helixtrans59.7-127177.300000111.9L153 R155 L187 F188L153-G185 PolarHBondContact O-N 3.44Å; R155-G185 VanDerWaalsContact O-CA 3.28Å; R155-G185 WeakPolarHBondContact O-CA 3.36Å; R155-G185 PolarHBondContact O-N 3.06Å; G185-L187 PolarHBondContact O-N 3.09Å; G185-F188 WeakPolarHBondContact O-CB 3.26Å; G185-F188 PolarHBondContact O-N 2.67Å
186K91.5Very high96.2Very high207 Ų20734.6 Ų34.690%0.917%0.167SC*.G310 helixtrans-70.8-20.9175.6-65.6-179.8-1781730113.4C184C184-K186 PolarHBondContact O-N 3.27Å
187L94Very high96.1Very high112 Ų11238.1 Ų38.159%0.58619%0.186SC*.G310 helixtrans-93.3-0.2178.7-60.9178.1000112.2C184 G185 K189C184-L187 CarbonylContact O-C 3.58Å; C184-L187 WeakPolarHBondContact O-CA 3.48Å; C184-L187 WeakPolarHBondContact O-CB 3.42Å; C184-L187 PolarHBondContact O-N 2.85Å; G185-L187 PolarHBondContact O-N 3.09Å; L187-K189 WeakPolarHBondContact O-CG 3.3Å; L187-K189 PolarHBondContact O-N 3.46Å; L187-K189 VanDerWaalsContact O-N 3.15Å
188F96.2Very high96.1Very high10 Ų1039.2 Ų39.24%0.04419%0.191CC..  trans-62.6117.1177.7-175.2-129.5000110.9L153 P181 G183 C184 G185 G190 V191 Y202 T267 F272L153-F188 HydrophobicContact CB-CD1 4.03Å; L153-F188 HydrophobicContact CB-CD2 3.99Å; L153-F188 HydrophobicContact CB-CE1 3.93Å; L153-F188 HydrophobicContact CB-CE2 3.85Å; L153-F188 HydrophobicContact CB-CG 4.08Å; L153-F188 HydrophobicContact CB-CZ 3.84Å; L153-F188 HydrophobicContact CD1-CD2 4.15Å; L153-F188 HydrophobicContact CD1-CE1 4.49Å; L153-F188 HydrophobicContact CD1-CE2 3.38Å; L153-F188 HydrophobicContact CD1-CZ 3.6Å; L153-F188 HydrophobicContact CG-CE2 4.28Å; L153-F188 HydrophobicContact CG-CZ 4.39Å; L153-F188 WeakPolarHBondContact O-CB 3.19Å; P181-F188 HydrophobicContact CB-CE2 4.41Å; G183-F188 WeakPolarHBondContact O-CD2 3.41Å; C184-F188 PolarHBondContact O-N 3.38Å; C184-F188 VanDerWaalsContact O-N 3.09Å; G185-F188 WeakPolarHBondContact O-CB 3.26Å; G185-F188 PolarHBondContact O-N 2.67Å; F188-G190 WeakPolarHBondContact CE2-O 3.45Å; F188-V191 HydrophobicContact CE2-CG1 4.38Å; F188-V191 HydrophobicContact CZ-CG1 4.27Å; F188-Y202 AromaticContact CD1-CD1 3.26Å; F188-Y202 HydrophobicContact CD1-CD1 3.26Å; F188-Y202 AromaticContact CD1-CE1 3.61Å; F188-Y202 HydrophobicContact CD1-CE1 3.61Å; F188-Y202 AromaticContact CD1-CG 3.81Å; F188-Y202 HydrophobicContact CD1-CG 3.81Å; F188-Y202 AromaticContact CE1-CD1 3.69Å; F188-Y202 HydrophobicContact CE1-CD1 3.69Å; F188-Y202 HydrophobicContact CE1-CD2 4.27Å; F188-Y202 HydrophobicContact CE1-CE1 4.19Å; F188-Y202 AromaticContact CE1-CG 3.71Å; F188-Y202 HydrophobicContact CE1-CG 3.71Å; F188-Y202 HydrophobicContact CG-CD1 4.17Å; F188-T267 HydrophobicContact CD1-CG2 4.48Å; F188-T267 HydrophobicContact CE1-CG2 4Å; F188-F272 AromaticContact CE1-CD1 3.77Å; F188-F272 HydrophobicContact CE1-CD1 3.77Å; F188-F272 HydrophobicContact CE1-CE1 4.14Å; F188-F272 AromaticContact CZ-CD1 3.74Å; F188-F272 HydrophobicContact CZ-CD1 3.74Å; F188-F272 AromaticContact CZ-CE1 3.76Å; F188-F272 HydrophobicContact CZ-CE1 3.76Å
189K95.8Very high96Very high79 Ų7939.2 Ų39.234%0.34319%0.191SC..  trans-107.9-17-177.4-64.1-55.3-174.51730114.1I182 L187 L201 Y202 V228 L232I182-K189 HydrophobicContact CB-CB 4.42Å; I182-K189 HydrophobicContact CG2-CB 4.19Å; I182-K189 PolarHBondContact O-N 2.67Å; L187-K189 WeakPolarHBondContact O-CG 3.3Å; L187-K189 PolarHBondContact O-N 3.46Å; L187-K189 VanDerWaalsContact O-N 3.15Å; K189-L201 CarbonylContact O-C 3.57Å; K189-Y202 PolarHBondContact O-N 2.93Å; K189-V228 HydrophobicContact CB-CB 3.98Å; K189-V228 HydrophobicContact CB-CG1 3.83Å; K189-V228 HydrophobicContact CG-CB 4.01Å; K189-V228 HydrophobicContact CG-CG1 4.38Å; K189-L232 HydrophobicContact CG-CD1 3.75Å
190G96.8Very high96Very high0 Ų040.2 Ų40.20%020%0.195CC..EExtended strand (participates in β ladder)trans150-164.5-175.900000113.1I182 F188 Y200I182-G190 PolarHBondContact N-O 2.82Å; F188-G190 WeakPolarHBondContact CE2-O 3.45Å; G190-Y200 CarbonylContact C-O 3.56Å; G190-Y200 WeakPolarHBondContact CA-O 3.37Å
191V97.8Very high95.9Very high0 Ų041.4 Ų41.40%020%0.201CC..EExtended strand (participates in β ladder)trans-129146.9173.6-670000111.8T179 W180 F188 Y200 F265 F272T179-V191 HydrophobicContact CG2-CG2 4.28Å; W180-V191 CarbonylContact O-C 3.59Å; W180-V191 WeakPolarHBondContact O-CA 3.37Å; W180-V191 WeakPolarHBondContact O-CB 3.47Å; F188-V191 HydrophobicContact CE2-CG1 4.38Å; F188-V191 HydrophobicContact CZ-CG1 4.27Å; V191-Y200 PolarHBondContact N-O 2.94Å; V191-Y200 PolarHBondContact O-N 3.07Å; V191-F265 HydrophobicContact CG1-CB 4.07Å; V191-F265 VanDerWaalsContact CG1-O 3.31Å; V191-F265 WeakPolarHBondContact CG1-O 3.41Å; V191-F272 HydrophobicContact CB-CE1 4.38Å; V191-F272 HydrophobicContact CG1-CE1 4.06Å; V191-F272 HydrophobicContact CG2-CE1 3.89Å; V191-F272 HydrophobicContact CG2-CZ 4.1Å
192Y98Very high95.8Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-93.5125.7169.6-167-94.2000110.5T179 W180 L194 D197 T199 L219 L236 L240T179-Y192 CarbonylContact C-O 3.37Å; T179-Y192 WeakPolarHBondContact CA-O 3.31Å; W180-Y192 PolarHBondContact N-O 2.8Å; W180-Y192 PolarHBondContact O-N 2.91Å; Y192-L194 HydrophobicContact CD1-CD1 4.4Å; Y192-D197 WeakPolarHBondContact OH-CA 3.39Å; Y192-D197 VanDerWaalsContact OH-CG 3.24Å; Y192-D197 PolarHBondContact OH-OD1 2.82Å; Y192-T199 WeakPolarHBondContact CD2-OG1 3.44Å; Y192-L219 HydrophobicContact CD2-CD1 4.36Å; Y192-L219 HydrophobicContact CE2-CB 4.16Å; Y192-L219 HydrophobicContact CE2-CD1 4.02Å; Y192-L219 WeakPolarHBondContact OH-CB 3.26Å; Y192-L219 PolarHBondContact OH-N 3.13Å; Y192-L219 VanDerWaalsContact OH-N 3.16Å; Y192-L236 HydrophobicContact CD2-CD2 3.98Å; Y192-L236 HydrophobicContact CG-CD2 4.31Å; Y192-L240 HydrophobicContact CD1-CD1 3.43Å; Y192-L240 VanDerWaalsContact CD1-CD1 3.43Å; Y192-L240 HydrophobicContact CD1-CD2 4.41Å; Y192-L240 HydrophobicContact CD2-CD1 4.41Å; Y192-L240 HydrophobicContact CE1-CD1 3.83Å; Y192-L240 HydrophobicContact CG-CD1 3.77Å
193H97.4Very high95.5Very high12 Ų1246 Ų466%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-90.7111.1175.3-168-44.6000110.2Y195 K196 D197 E198 Y200H193-Y195 PolarHBondContact ND1-N 2.97Å; H193-Y195 PolarHBondContact O-N 3.17Å; H193-K196 HydrophobicContact CB-CB 4.16Å; H193-K196 PolarHBondContact ND1-N 2.65Å; H193-K196 PolarHBondContact O-N 2.88Å; H193-D197 PolarHBondContact O-N 3.47Å; H193-E198 PolarHBondContact N-O 3.45Å; H193-E198 PolarHBondContact O-N 3.06Å; H193-Y200 HydrophobicContact CB-CD2 4.28Å; H193-Y200 HydrophobicContact CB-CE2 3.88Å
194L95.7Very high95.2Very high21 Ų2149.6 Ų49.611%0.1124%0.243CC..THydrogen-bonded Turntrans-61.5-42.8-170.1-82.471.6000112.9P177 I178 W180 Y192 L240 V243P177-L194 HydrophobicContact CB-CD2 4.32Å; I178-L194 PolarHBondContact O-N 2.76Å; W180-L194 HydrophobicContact CB-CD1 3.93Å; Y192-L194 HydrophobicContact CD1-CD1 4.4Å; L194-L240 HydrophobicContact CD1-CD2 3.87Å; L194-L240 HydrophobicContact CD2-CD2 4.29Å; L194-L240 HydrophobicContact CG-CD2 3.98Å; L194-V243 HydrophobicContact CD2-CG1 4.09Å
195Y94.3Very high94.8Very high113 Ų11351 Ų5144%0.44326%0.263SS..THydrogen-bonded Turntrans-84.2-23.6-176-57.4-87.3000114.7P177 I178 H193 F250P177-Y195 WeakPolarHBondContact O-CE2 3.39Å; I178-Y195 HydrophobicContact CD1-CD2 4.08Å; I178-Y195 HydrophobicContact CD1-CE2 3.51Å; I178-Y195 HydrophobicContact CG2-CD2 4.36Å; H193-Y195 PolarHBondContact ND1-N 2.97Å; H193-Y195 PolarHBondContact O-N 3.17Å; Y195-F250 HydrophobicContact CE1-CB 4.31Å; Y195-F250 HydrophobicContact CE2-CB 4.21Å; Y195-F250 VanDerWaalsContact OH-CB 3.29Å; Y195-F250 WeakPolarHBondContact OH-CB 3.28Å; Y195-F250 PolarHBondContact OH-N 3.48Å
196K94.9Very high94.3Very high98 Ų9853.6 Ų53.643%0.42627%0.272SS..THydrogen-bonded Turntrans-91.7-13.2177.2-68.7-178.7-173.8172.60112.6H193 E198H193-K196 HydrophobicContact CB-CB 4.16Å; H193-K196 PolarHBondContact ND1-N 2.65Å; H193-K196 PolarHBondContact O-N 2.88Å; K196-E198 VanDerWaalsContact C-N 3.31Å; K196-E198 HydrophobicContact CB-CB 4.2Å; K196-E198 HydrophobicContact CB-CG 4.24Å; K196-E198 WeakPolarHBondContact O-CG 3.32Å
197D96.1Very high93.7Very high75 Ų7544.4 Ų44.440%0.40124%0.236SC..THydrogen-bonded Turntrans57.644.1-174.9-155.651.8000111.7Y192 H193 G218Y192-D197 WeakPolarHBondContact OH-CA 3.39Å; Y192-D197 VanDerWaalsContact OH-CG 3.24Å; Y192-D197 PolarHBondContact OH-OD1 2.82Å; H193-D197 PolarHBondContact O-N 3.47Å; D197-G218 PolarHBondContact O-N 2.97Å; D197-G218 WeakPolarHBondContact OD2-CA 3.43Å
198E97.5Very high93Very high23 Ų2344.4 Ų44.411%0.10723%0.233CC..EExtended strand (participates in β ladder)trans-136130.3-170.3-77.1178.4167.100112H193 K196 Y200 I215 K217H193-E198 PolarHBondContact N-O 3.45Å; H193-E198 PolarHBondContact O-N 3.06Å; K196-E198 VanDerWaalsContact C-N 3.31Å; K196-E198 HydrophobicContact CB-CB 4.2Å; K196-E198 HydrophobicContact CB-CG 4.24Å; K196-E198 WeakPolarHBondContact O-CG 3.32Å; E198-Y200 HydrophobicContact CB-CD2 4.4Å; E198-Y200 HydrophobicContact CB-CE2 3.7Å; E198-Y200 PolarHBondContact OE2-OH 2.82Å; E198-I215 HydrophobicContact CB-CG2 3.9Å; E198-I215 HydrophobicContact CG-CG2 3.81Å; E198-K217 HydrophobicContact CG-CD 4.48Å; E198-K217 HydrophobicContact CG-CG 4.13Å; E198-K217 VanDerWaalsContact OE1-CE 3.26Å; E198-K217 WeakPolarHBondContact OE1-CE 3.36Å; E198-K217 IonicContact OE1-NZ 2.72Å; E198-K217 PolarHBondContact OE1-NZ 3.18Å
199T97.9Very high92.2Very high0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-91.4125.5169.3-58.70000110.4I182 Y192 L201 I215 V216 L224I182-T199 HydrophobicContact CD1-CG2 3.41Å; I182-T199 VanDerWaalsContact CD1-CG2 3.41Å; Y192-T199 WeakPolarHBondContact CD2-OG1 3.44Å; T199-L201 HydrophobicContact CG2-CD2 3.9Å; T199-I215 CarbonylContact O-C 3.54Å; T199-I215 VanDerWaalsContact O-CA 3.25Å; T199-I215 WeakPolarHBondContact O-CA 3.38Å; T199-V216 PolarHBondContact N-O 3.3Å; T199-V216 PolarHBondContact O-N 3.38Å; T199-L224 HydrophobicContact CG2-CD1 3.67Å; T199-L224 VanDerWaalsContact OG1-CD1 3.29Å; T199-L224 WeakPolarHBondContact OG1-CD1 3.3Å
200Y97.2Very high91.5Very high23 Ų2347.3 Ų47.39%0.0925%0.254CS..EExtended strand (participates in β ladder)trans-100.6123.7173-67.3-103000109G190 V191 H193 E198 V213 I215 F272 H276G190-Y200 CarbonylContact C-O 3.56Å; G190-Y200 WeakPolarHBondContact CA-O 3.37Å; V191-Y200 PolarHBondContact N-O 2.94Å; V191-Y200 PolarHBondContact O-N 3.07Å; H193-Y200 HydrophobicContact CB-CD2 4.28Å; H193-Y200 HydrophobicContact CB-CE2 3.88Å; E198-Y200 HydrophobicContact CB-CD2 4.4Å; E198-Y200 HydrophobicContact CB-CE2 3.7Å; E198-Y200 PolarHBondContact OE2-OH 2.82Å; Y200-V213 HydrophobicContact CD1-CG1 4.26Å; Y200-V213 HydrophobicContact CE1-CG1 4.27Å; Y200-I215 HydrophobicContact CD1-CD1 4.25Å; Y200-I215 HydrophobicContact CD1-CG1 3.82Å; Y200-I215 HydrophobicContact CE1-CD1 3.63Å; Y200-I215 HydrophobicContact CE1-CG1 3.7Å; Y200-I215 HydrophobicContact CG-CG1 4.42Å; Y200-F272 WeakPolarHBondContact O-CZ 3.23Å; Y200-H276 AromaticContact CD1-CE1 3.54Å; Y200-H276 AromaticContact CD1-NE2 3.14Å; Y200-H276 WeakPolarHBondContact CD1-NE2 3.47Å; Y200-H276 AromaticContact CD2-CE1 3.74Å; Y200-H276 AromaticContact CD2-NE2 3.99Å; Y200-H276 AromaticContact CE1-NE2 3.42Å; Y200-H276 WeakPolarHBondContact CE1-NE2 3.48Å; Y200-H276 AromaticContact CG-CE1 3.33Å; Y200-H276 AromaticContact CG-NE2 3.46Å
201L96.1Very high90.9Very high25 Ų2548.3 Ų48.313%0.13126%0.259CS..EExtended strand (participates in β ladder)trans-94.9120.1-172.1-62.1173.1000112.9K189 T199 R214 V216 A227 V228K189-L201 CarbonylContact O-C 3.57Å; T199-L201 HydrophobicContact CG2-CD2 3.9Å; L201-R214 HydrophobicContact CB-CB 4.16Å; L201-R214 HydrophobicContact CD1-CB 4.3Å; L201-R214 PolarHBondContact N-O 3.01Å; L201-R214 PolarHBondContact O-NH2 3.42Å; L201-V216 HydrophobicContact CD1-CG2 4.14Å; L201-A227 HydrophobicContact CD1-CB 3.8Å; L201-A227 HydrophobicContact CD2-CB 4.02Å; L201-V228 HydrophobicContact CD2-CG1 3.71Å
202Y95Very high90.3Very high30 Ų3055.3 Ų55.312%0.11829%0.291CS..PPolyproline II helixtrans-76.5145.4175.9175.5-120.1000112.3F188 K189 Q211 R214 T267 F272F188-Y202 AromaticContact CD1-CD1 3.26Å; F188-Y202 HydrophobicContact CD1-CD1 3.26Å; F188-Y202 AromaticContact CD1-CE1 3.61Å; F188-Y202 HydrophobicContact CD1-CE1 3.61Å; F188-Y202 AromaticContact CD1-CG 3.81Å; F188-Y202 HydrophobicContact CD1-CG 3.81Å; F188-Y202 AromaticContact CE1-CD1 3.69Å; F188-Y202 HydrophobicContact CE1-CD1 3.69Å; F188-Y202 HydrophobicContact CE1-CD2 4.27Å; F188-Y202 HydrophobicContact CE1-CE1 4.19Å; F188-Y202 AromaticContact CE1-CG 3.71Å; F188-Y202 HydrophobicContact CE1-CG 3.71Å; F188-Y202 HydrophobicContact CG-CD1 4.17Å; K189-Y202 PolarHBondContact O-N 2.93Å; Y202-Q211 VanDerWaalsContact CE2-NE2 3.3Å; Y202-R214 PolarHBondContact O-NH2 2.9Å; Y202-T267 HydrophobicContact CD2-CG2 4.49Å; Y202-T267 HydrophobicContact CE2-CG2 3.87Å; Y202-F272 HydrophobicContact CD2-CB 3.54Å; Y202-F272 HydrophobicContact CD2-CD1 4.11Å; Y202-F272 AromaticContact CD2-CD2 3.76Å; Y202-F272 HydrophobicContact CD2-CD2 3.76Å; Y202-F272 AromaticContact CD2-CG 3.52Å; Y202-F272 HydrophobicContact CD2-CG 3.52Å; Y202-F272 HydrophobicContact CE2-CB 3.89Å; Y202-F272 HydrophobicContact CE2-CG 4.35Å; Y202-F272 HydrophobicContact CG-CD1 4.35Å; Y202-F272 HydrophobicContact CG-CD2 4.35Å; Y202-F272 HydrophobicContact CG-CG 4.15Å
203Q91Very high89.8Confident73 Ų7359.6 Ų59.634%0.34132%0.317SS..  trans-125.6124.4167.2-171.4172.74.900110.5K206 Q211Q203-K206 HydrophobicContact CB-CD 4.31Å; Q203-K206 HydrophobicContact CG-CD 4.27Å; Q203-Q211 VanDerWaalsContact N-OE1 3.1Å; Q203-Q211 PolarHBondContact O-NE2 2.85Å; Q203-Q211 PolarHBondContact O-OE1 2.89Å
204S88.6Confident89.6Confident94 Ų9463.4 Ų63.466%0.65733%0.331SS*.THydrogen-bonded Turntrans-67.8151.7176.460.80000112.1K206S204-K206 VanDerWaalsContact C-N 3.33Å; S204-K206 PolarHBondContact O-N 3.29Å
205G85.1Confident89.6Confident66 Ų6665.7 Ų65.768%0.6834%0.343SS*.THydrogen-bonded Turntrans83.6-4.4177.300000115.9H208G205-H208 PolarHBondContact O-CE1 2.92Å
206K83.3Confident89.7Confident64 Ų6461 Ų6128%0.27833%0.326SS..  trans-96.414.3-179.7-71.6-169.1168.8175.50115.3Q203 S204 H208 T209 Q211Q203-K206 HydrophobicContact CB-CD 4.31Å; Q203-K206 HydrophobicContact CG-CD 4.27Å; S204-K206 VanDerWaalsContact C-N 3.33Å; S204-K206 PolarHBondContact O-N 3.29Å; K206-H208 PolarHBondContact O-N 3.08Å; K206-T209 PolarHBondContact O-N 3.11Å; K206-T209 PolarHBondContact O-OG1 2.76Å; K206-Q211 HydrophobicContact CB-CG 3.85Å
207G80Confident89.7Confident14 Ų1462.8 Ų62.814%0.14433%0.334CS..THydrogen-bonded Turntrans-62.9-11.4-173.700000116.9K41 L269K41-G207 PolarHBondContact NZ-O 3.4Å; G207-L269 WeakPolarHBondContact CA-O 2.99Å
208H77.8Confident89.7Confident112 Ų11260 Ų6052%0.51932%0.322SS..THydrogen-bonded Turntrans-87-12.1179.254.5-78.6000113.6T51 A52 G205 K206T51-H208 WeakPolarHBondContact CG2-O 3.42Å; A52-H208 PolarHBondContact N-O 3.38Å; G205-H208 PolarHBondContact O-CE1 2.92Å; K206-H208 PolarHBondContact O-N 3.08Å
209T79.9Confident89.5Confident60 Ų6060 Ų6037%0.36832%0.323SS..SBendtrans-133.1161.2-177.751.10000111.1K206 Q211 N271K206-T209 PolarHBondContact O-N 3.11Å; K206-T209 PolarHBondContact O-OG1 2.76Å; T209-Q211 PolarHBondContact O-N 3.05Å; T209-N271 PolarHBondContact O-ND2 3.26Å
210I82.1Confident89.3Confident90 Ų9066.2 Ų66.246%0.46236%0.356SS..PPolyproline II helixtrans-65.2126.6166-60.9174.4000107.8L44 F45 N271L44-I210 HydrophobicContact CD2-CG1 4.11Å; L44-I210 HydrophobicContact CG-CD1 4.44Å; L44-I210 HydrophobicContact CG-CG1 4.2Å; F45-I210 HydrophobicContact CD1-CD1 4.05Å; F45-I210 HydrophobicContact CD1-CG1 4.38Å; F45-I210 HydrophobicContact CE1-CD1 4.12Å; F45-I210 HydrophobicContact CE1-CG1 4.02Å; F45-I210 HydrophobicContact CE1-CG2 3.87Å; F45-I210 HydrophobicContact CZ-CG1 4.33Å; F45-I210 HydrophobicContact CZ-CG2 4.37Å; I210-N271 WeakPolarHBondContact CA-ND2 3.45Å
211Q82.8Confident89.2Confident21 Ų2167.1 Ų67.110%0.09836%0.363CS..PPolyproline II helixtrans-75.1151.3-178.8-54.5-160.329.200110.4Y202 Q203 K206 T209 V213 G270Y202-Q211 VanDerWaalsContact CE2-NE2 3.3Å; Q203-Q211 VanDerWaalsContact N-OE1 3.1Å; Q203-Q211 PolarHBondContact O-NE2 2.85Å; Q203-Q211 PolarHBondContact O-OE1 2.89Å; K206-Q211 HydrophobicContact CB-CG 3.85Å; T209-Q211 PolarHBondContact O-N 3.05Å; Q211-V213 PolarHBondContact O-N 2.99Å; Q211-G270 PolarHBondContact NE2-O 2.79Å
212E85.5Confident89.1Confident147 Ų14770.5 Ų70.569%0.68739%0.386SS*.PPolyproline II helixtrans-67.3127.3169.4-174.5179.4-173.700109.5R214E212-R214 PolarHBondContact O-N 3.41Å
213V88.4Confident89.1Confident90 Ų9074 Ų7455%0.54541%0.407SS..PPolyproline II helixtrans-71.4116.8-178.4178.30000109.2Y200 Q211 I215Y200-V213 HydrophobicContact CD1-CG1 4.26Å; Y200-V213 HydrophobicContact CE1-CG1 4.27Å; Q211-V213 PolarHBondContact O-N 2.99Å; V213-I215 HydrophobicContact CG1-CD1 3.56Å; V213-I215 HydrophobicContact CG1-CG1 3.68Å
214R93.3Very high89.3Confident93 Ų9370.5 Ų70.535%0.35139%0.39SS..  trans-119.3115.4175.3-65.5175.6-60.615712.4108.3L201 Y202 E212L201-R214 HydrophobicContact CB-CB 4.16Å; L201-R214 HydrophobicContact CD1-CB 4.3Å; L201-R214 PolarHBondContact N-O 3.01Å; L201-R214 PolarHBondContact O-NH2 3.42Å; Y202-R214 PolarHBondContact O-NH2 2.9Å; E212-R214 PolarHBondContact O-N 3.41Å
215I95.5Very high89.7Confident69 Ų6967.6 Ų67.635%0.35437%0.368SS..EExtended strand (participates in β ladder)trans-117.4135.9-173.4-63.9164.1000110.1E198 T199 Y200 V213 K217E198-I215 HydrophobicContact CB-CG2 3.9Å; E198-I215 HydrophobicContact CG-CG2 3.81Å; T199-I215 CarbonylContact O-C 3.54Å; T199-I215 VanDerWaalsContact O-CA 3.25Å; T199-I215 WeakPolarHBondContact O-CA 3.38Å; Y200-I215 HydrophobicContact CD1-CD1 4.25Å; Y200-I215 HydrophobicContact CD1-CG1 3.82Å; Y200-I215 HydrophobicContact CE1-CD1 3.63Å; Y200-I215 HydrophobicContact CE1-CG1 3.7Å; Y200-I215 HydrophobicContact CG-CG1 4.42Å; V213-I215 HydrophobicContact CG1-CD1 3.56Å; V213-I215 HydrophobicContact CG1-CG1 3.68Å; I215-K217 HydrophobicContact CG2-CG 4.11Å
216V96Very high90.2Very high15 Ų1568.6 Ų68.69%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-113.1123.6163.8-179.20000107.9T199 L201 N221 D223 L224 A227T199-V216 PolarHBondContact N-O 3.3Å; T199-V216 PolarHBondContact O-N 3.38Å; L201-V216 HydrophobicContact CD1-CG2 4.14Å; V216-N221 HydrophobicContact CG1-CB 4.11Å; V216-D223 HydrophobicContact CG1-CB 3.95Å; V216-L224 HydrophobicContact CG1-CB 4.07Å; V216-A227 HydrophobicContact CG2-CB 4.41Å
217K95.9Very high90.8Very high135 Ų13567.6 Ų67.659%0.58737%0.373SS*.EExtended strand (participates in β ladder)trans-91.3132.7-178-53.4-157.5177.2-138.90110.8E198 I215 N221E198-K217 HydrophobicContact CG-CD 4.48Å; E198-K217 HydrophobicContact CG-CG 4.13Å; E198-K217 VanDerWaalsContact OE1-CE 3.26Å; E198-K217 WeakPolarHBondContact OE1-CE 3.36Å; E198-K217 IonicContact OE1-NZ 2.72Å; E198-K217 PolarHBondContact OE1-NZ 3.18Å; I215-K217 HydrophobicContact CG2-CG 4.11Å; K217-N221 WeakPolarHBondContact O-CB 3.42Å; K217-N221 PolarHBondContact O-ND2 3.32Å
218G94.6Very high91.5Very high15 Ų1567.3 Ų67.316%0.15537%0.368CS..  trans89.5131.5176.100000114.4D197 N220 N221D197-G218 PolarHBondContact O-N 2.97Å; D197-G218 WeakPolarHBondContact OD2-CA 3.43Å; G218-N220 VanDerWaalsContact C-N 3.27Å; G218-N220 PolarHBondContact O-N 2.92Å; G218-N221 VanDerWaalsContact O-CB 3.26Å; G218-N221 WeakPolarHBondContact O-CB 3.34Å; G218-N221 PolarHBondContact O-N 2.85Å
219L93.6Very high92.3Very high24 Ų2463.4 Ų63.413%0.12636%0.359CS..THydrogen-bonded Turntrans-62.2-31.2178.7-175.656.4000113.9Y192 L224 L236 R237 L240Y192-L219 HydrophobicContact CD2-CD1 4.36Å; Y192-L219 HydrophobicContact CE2-CB 4.16Å; Y192-L219 HydrophobicContact CE2-CD1 4.02Å; Y192-L219 WeakPolarHBondContact OH-CB 3.26Å; Y192-L219 PolarHBondContact OH-N 3.13Å; Y192-L219 VanDerWaalsContact OH-N 3.16Å; L219-L224 HydrophobicContact CD1-CD2 4.37Å; L219-L224 WeakPolarHBondContact O-CD2 3.44Å; L219-L236 HydrophobicContact CD1-CD2 3.94Å; L219-L236 HydrophobicContact CD1-CG 4.07Å; L219-R237 HydrophobicContact CD1-CG 3.87Å; L219-R237 HydrophobicContact CD2-CG 4.33Å; L219-R237 HydrophobicContact CG-CG 3.88Å; L219-R237 PolarHBondContact O-NE 3.4Å; L219-R237 PolarHBondContact O-NH2 2.9Å; L219-L240 HydrophobicContact CD1-CD1 3.68Å; L219-L240 HydrophobicContact CD2-CB 4.42Å; L219-L240 HydrophobicContact CD2-CD1 3.98Å; L219-L240 HydrophobicContact CG-CD1 4.47Å
220N94.2Very high93Very high131 Ų13167.8 Ų67.870%0.70138%0.375SS*.THydrogen-bonded Turntrans-100.314.7-178.2-63.3-36.9000112.6G218 P222G218-N220 VanDerWaalsContact C-N 3.27Å; G218-N220 PolarHBondContact O-N 2.92Å; N220-P222 WeakPolarHBondContact O-CD 3.44Å
221N93.6Very high93.7Very high42 Ų4270.2 Ų70.223%0.22539%0.389CS..  trans-75.1123.1178-174.7-19.8000110V216 K217 G218 D223 L224V216-N221 HydrophobicContact CG1-CB 4.11Å; K217-N221 WeakPolarHBondContact O-CB 3.42Å; K217-N221 PolarHBondContact O-ND2 3.32Å; G218-N221 VanDerWaalsContact O-CB 3.26Å; G218-N221 WeakPolarHBondContact O-CB 3.34Å; G218-N221 PolarHBondContact O-N 2.85Å; N221-D223 PolarHBondContact O-N 3.29Å; N221-D223 VanDerWaalsContact O-N 3.11Å; N221-D223 WeakPolarHBondContact OD1-CB 3.34Å; N221-D223 PolarHBondContact OD1-N 2.82Å; N221-L224 WeakPolarHBondContact O-CB 3.29Å; N221-L224 PolarHBondContact O-N 2.9Å
222P94.7Very high94.3Very high95 Ų9570.5 Ų70.562%0.61739%0.391SS*.Hα-helixtrans-57.7-24.3177.6-25.235.1000114.7N220 L224 D225 A226N220-P222 WeakPolarHBondContact O-CD 3.44Å; P222-L224 PolarHBondContact O-N 3.48Å; P222-D225 WeakPolarHBondContact CA-OD2 3.28Å; P222-D225 PolarHBondContact O-N 2.89Å; P222-A226 PolarHBondContact O-N 3.26Å; P222-A226 VanDerWaalsContact O-N 3.15Å
223D95.6Very high94.9Very high104 Ų10463.5 Ų63.556%0.55636%0.358SS*.Hα-helixtrans-64.3-23.4174.2-67.2-22.5000111.7V216 N221 A227V216-D223 HydrophobicContact CG1-CB 3.95Å; N221-D223 PolarHBondContact O-N 3.29Å; N221-D223 VanDerWaalsContact O-N 3.11Å; N221-D223 WeakPolarHBondContact OD1-CB 3.34Å; N221-D223 PolarHBondContact OD1-N 2.82Å; D223-A227 WeakPolarHBondContact O-CB 3.44Å; D223-A227 PolarHBondContact O-N 2.78Å
224L95.9Very high95.3Very high0 Ų063.4 Ų63.40%035%0.352CS..Hα-helixtrans-66.8-51.7174.2-179.757.3000109.8T199 V216 L219 N221 P222 A226 A227 V228 A233 L236T199-L224 HydrophobicContact CG2-CD1 3.67Å; T199-L224 VanDerWaalsContact OG1-CD1 3.29Å; T199-L224 WeakPolarHBondContact OG1-CD1 3.3Å; V216-L224 HydrophobicContact CG1-CB 4.07Å; L219-L224 HydrophobicContact CD1-CD2 4.37Å; L219-L224 WeakPolarHBondContact O-CD2 3.44Å; N221-L224 WeakPolarHBondContact O-CB 3.29Å; N221-L224 PolarHBondContact O-N 2.9Å; P222-L224 PolarHBondContact O-N 3.48Å; L224-A226 VanDerWaalsContact C-N 3.27Å; L224-A226 PolarHBondContact O-N 2.81Å; L224-A227 PolarHBondContact O-N 3.02Å; L224-V228 HydrophobicContact CD1-CG1 3.95Å; L224-V228 HydrophobicContact CD1-CG2 4.15Å; L224-V228 HydrophobicContact CG-CG2 4.37Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 3.04Å; L224-A233 HydrophobicContact CG-CB 4.43Å; L224-L236 HydrophobicContact CD2-CD2 4.14Å
225D96.8Very high95.4Very high33 Ų3363.2 Ų63.218%0.17636%0.355CS..Hα-helixtrans-56.8-43.3178.3-52.2-105.3000110.7P222 A227 G229 E230 A233 R237P222-D225 WeakPolarHBondContact CA-OD2 3.28Å; P222-D225 PolarHBondContact O-N 2.89Å; D225-A227 VanDerWaalsContact C-N 3.34Å; D225-A227 PolarHBondContact O-N 3.3Å; D225-G229 CarbonylContact O-C 3.55Å; D225-G229 WeakPolarHBondContact O-CA 3.48Å; D225-G229 PolarHBondContact O-N 3.08Å; D225-E230 HydrophobicContact CB-CG 4.36Å; D225-A233 HydrophobicContact CB-CB 4.33Å; D225-R237 IonicContact OD1-CZ 2.67Å; D225-R237 IonicContact OD1-NH1 2.76Å; D225-R237 PolarHBondContact OD1-NH1 2.88Å; D225-R237 IonicContact OD1-NH2 2.98Å; D225-R237 PolarHBondContact OD1-NH2 3.2Å; D225-R237 IonicContact OD2-CZ 3.11Å; D225-R237 IonicContact OD2-NH2 2.75Å; D225-R237 PolarHBondContact OD2-NH2 3.5Å
226A95.4Very high95.4Very high87 Ų8760 Ų6072%0.71934%0.339SS*.Hα-helixtrans-64.9-35.6175.800000113P222 L224P222-A226 PolarHBondContact O-N 3.26Å; P222-A226 VanDerWaalsContact O-N 3.15Å; L224-A226 VanDerWaalsContact C-N 3.27Å; L224-A226 PolarHBondContact O-N 2.81Å
227A94.5Very high95.5Very high43 Ų4361.1 Ų61.136%0.35534%0.341SS..Hα-helixtrans-79.9-39.8-176.600000113.7L201 V216 D223 L224 D225L201-A227 HydrophobicContact CD1-CB 3.8Å; L201-A227 HydrophobicContact CD2-CB 4.02Å; V216-A227 HydrophobicContact CG2-CB 4.41Å; D223-A227 WeakPolarHBondContact O-CB 3.44Å; D223-A227 PolarHBondContact O-N 2.78Å; L224-A227 PolarHBondContact O-N 3.02Å; D225-A227 VanDerWaalsContact C-N 3.34Å; D225-A227 PolarHBondContact O-N 3.3Å
228V95.5Very high95.4Very high7 Ų758.5 Ų58.54%0.04233%0.333CS..Hα-helixtrans-105.8-21.4-174.2-50.90000113.6I182 K189 L201 L224 L232 A233I182-V228 HydrophobicContact CD1-CG1 4.34Å; I182-V228 HydrophobicContact CG2-CB 4.09Å; I182-V228 HydrophobicContact CG2-CG1 4.23Å; I182-V228 HydrophobicContact CG2-CG2 4.14Å; K189-V228 HydrophobicContact CB-CB 3.98Å; K189-V228 HydrophobicContact CB-CG1 3.83Å; K189-V228 HydrophobicContact CG-CB 4.01Å; K189-V228 HydrophobicContact CG-CG1 4.38Å; L201-V228 HydrophobicContact CD2-CG1 3.71Å; L224-V228 HydrophobicContact CD1-CG1 3.95Å; L224-V228 HydrophobicContact CD1-CG2 4.15Å; L224-V228 HydrophobicContact CG-CG2 4.37Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 3.04Å; V228-L232 HydrophobicContact CG2-CB 4.23Å; V228-A233 HydrophobicContact CG2-CB 3.84Å
229G95.1Very high95.5Very high31 Ų3158.9 Ų58.932%0.3233%0.331SS..  trans100.4141.1-172.100000111.7D225 D231 L232 A233D225-G229 CarbonylContact O-C 3.55Å; D225-G229 WeakPolarHBondContact O-CA 3.48Å; D225-G229 PolarHBondContact O-N 3.08Å; G229-D231 VanDerWaalsContact C-N 3.34Å; G229-D231 PolarHBondContact O-N 2.84Å; G229-L232 PolarHBondContact O-N 3.03Å; G229-A233 WeakPolarHBondContact O-CB 3.42Å; G229-A233 PolarHBondContact O-N 3.37Å
230E94.6Very high95.5Very high151 Ų15157.8 Ų57.871%0.70633%0.325SS*.Hα-helixtrans-54.8-44.7-174.8-67.7178.8-172.400112.8D225 L232 A233 Q234D225-E230 HydrophobicContact CB-CG 4.36Å; E230-L232 PolarHBondContact O-N 3.06Å; E230-A233 PolarHBondContact O-N 3.5Å; E230-Q234 WeakPolarHBondContact O-CB 3.47Å; E230-Q234 PolarHBondContact O-N 2.91Å
231D96.2Very high95.4Very high142 Ų14258.8 Ų58.876%0.75933%0.326SS*.Hα-helixtrans-61.4-46.7-179.4-63.7-25.1000112.2G229 Q234 Q235G229-D231 VanDerWaalsContact C-N 3.34Å; G229-D231 PolarHBondContact O-N 2.84Å; D231-Q234 PolarHBondContact O-N 2.93Å; D231-Q235 WeakPolarHBondContact O-CB 3.24Å; D231-Q235 PolarHBondContact O-N 2.84Å
232L96Very high95.3Very high26 Ų2661.9 Ų61.914%0.13634%0.342CS..Hα-helixtrans-70.9-33.8179-73.3177.7000112I182 K189 V228 G229 E230 L236I182-L232 HydrophobicContact CG2-CB 4.15Å; K189-L232 HydrophobicContact CG-CD1 3.75Å; V228-L232 HydrophobicContact CG2-CB 4.23Å; G229-L232 PolarHBondContact O-N 3.03Å; E230-L232 PolarHBondContact O-N 3.06Å; L232-L236 WeakPolarHBondContact O-CB 3.15Å; L232-L236 PolarHBondContact O-N 3.05Å
233A96.6Very high95.2Very high0 Ų057.7 Ų57.70%031%0.314CS..Hα-helixtrans-66.8-41.1175.500000111.2L224 D225 V228 G229 E230 L236 R237L224-A233 HydrophobicContact CG-CB 4.43Å; D225-A233 HydrophobicContact CB-CB 4.33Å; V228-A233 HydrophobicContact CG2-CB 3.84Å; G229-A233 WeakPolarHBondContact O-CB 3.42Å; G229-A233 PolarHBondContact O-N 3.37Å; E230-A233 PolarHBondContact O-N 3.5Å; A233-L236 PolarHBondContact O-N 3.12Å; A233-R237 WeakPolarHBondContact O-CG 3.42Å; A233-R237 PolarHBondContact O-N 3.09Å; A233-R237 VanDerWaalsContact O-N 3.16Å
234Q96.9Very high94.9Very high89 Ų8957.9 Ų57.942%0.41631%0.311SS..Hα-helixtrans-67.8-45.5175.3-171.158.246.300111.7E230 D231 L236 R237 D238E230-Q234 WeakPolarHBondContact O-CB 3.47Å; E230-Q234 PolarHBondContact O-N 2.91Å; D231-Q234 PolarHBondContact O-N 2.93Å; Q234-L236 VanDerWaalsContact C-N 3.28Å; Q234-L236 PolarHBondContact O-N 2.88Å; Q234-R237 WeakPolarHBondContact O-CB 3.38Å; Q234-R237 PolarHBondContact O-N 2.95Å; Q234-D238 PolarHBondContact NE2-OD1 2.9Å; Q234-D238 PolarHBondContact O-N 2.81Å
235Q95.7Very high94.5Very high89 Ų8961.3 Ų61.342%0.41635%0.346SS..Hα-helixtrans-54.4-46.3174.5179.3-180-3.900111.3D231 R237 D238 E239D231-Q235 WeakPolarHBondContact O-CB 3.24Å; D231-Q235 PolarHBondContact O-N 2.84Å; Q235-R237 VanDerWaalsContact C-N 3.31Å; Q235-R237 PolarHBondContact O-N 2.77Å; Q235-D238 PolarHBondContact O-N 3.42Å; Q235-E239 HydrophobicContact CG-CG 4.28Å; Q235-E239 VanDerWaalsContact CG-OE1 3.26Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.34Å; Q235-E239 PolarHBondContact NE2-OE1 3.32Å; Q235-E239 WeakPolarHBondContact O-CB 3.12Å; Q235-E239 VanDerWaalsContact O-CG 3.29Å; Q235-E239 WeakPolarHBondContact O-CG 3.41Å; Q235-E239 PolarHBondContact O-N 2.87Å
236L96.6Very high94Very high2 Ų264.1 Ų64.11%0.0137%0.373CS..Hα-helixtrans-58.4-42176.8176.466.7000112.4W180 I182 Y192 L219 L224 L232 A233 Q234 L240W180-L236 HydrophobicContact CG-CD1 4.5Å; I182-L236 HydrophobicContact CD1-CD2 3.69Å; I182-L236 HydrophobicContact CG1-CD1 4.05Å; I182-L236 HydrophobicContact CG1-CD2 3.87Å; I182-L236 HydrophobicContact CG1-CG 4.45Å; Y192-L236 HydrophobicContact CD2-CD2 3.98Å; Y192-L236 HydrophobicContact CG-CD2 4.31Å; L219-L236 HydrophobicContact CD1-CD2 3.94Å; L219-L236 HydrophobicContact CD1-CG 4.07Å; L224-L236 HydrophobicContact CD2-CD2 4.14Å; L232-L236 WeakPolarHBondContact O-CB 3.15Å; L232-L236 PolarHBondContact O-N 3.05Å; A233-L236 PolarHBondContact O-N 3.12Å; Q234-L236 VanDerWaalsContact C-N 3.28Å; Q234-L236 PolarHBondContact O-N 2.88Å; L236-L240 HydrophobicContact CD1-CD1 3.75Å; L236-L240 HydrophobicContact CD1-CG 3.89Å; L236-L240 HydrophobicContact CG-CD1 3.87Å; L236-L240 HydrophobicContact CG-CG 4.33Å; L236-L240 VanDerWaalsContact O-CB 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.46Å; L236-L240 VanDerWaalsContact O-CG 3.23Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.27Å
237R96.8Very high93.7Very high38 Ų3861.4 Ų61.414%0.14335%0.349CS..Hα-helixtrans-62.9-47.7179.1-71.7169.3-171.2128.65111.2L219 D225 A233 Q234 Q235 L240 E241L219-R237 HydrophobicContact CD1-CG 3.87Å; L219-R237 HydrophobicContact CD2-CG 4.33Å; L219-R237 HydrophobicContact CG-CG 3.88Å; L219-R237 PolarHBondContact O-NE 3.4Å; L219-R237 PolarHBondContact O-NH2 2.9Å; D225-R237 IonicContact OD1-CZ 2.67Å; D225-R237 IonicContact OD1-NH1 2.76Å; D225-R237 PolarHBondContact OD1-NH1 2.88Å; D225-R237 IonicContact OD1-NH2 2.98Å; D225-R237 PolarHBondContact OD1-NH2 3.2Å; D225-R237 IonicContact OD2-CZ 3.11Å; D225-R237 IonicContact OD2-NH2 2.75Å; D225-R237 PolarHBondContact OD2-NH2 3.5Å; A233-R237 WeakPolarHBondContact O-CG 3.42Å; A233-R237 PolarHBondContact O-N 3.09Å; A233-R237 VanDerWaalsContact O-N 3.16Å; Q234-R237 WeakPolarHBondContact O-CB 3.38Å; Q234-R237 PolarHBondContact O-N 2.95Å; Q235-R237 VanDerWaalsContact C-N 3.31Å; Q235-R237 PolarHBondContact O-N 2.77Å; R237-L240 PolarHBondContact O-N 3.06Å; R237-E241 PolarHBondContact O-N 3.02Å
238D95.3Very high93.6Very high79 Ų7962.6 Ų62.642%0.42235%0.349SS..Hα-helixtrans-63.7-44.5-179.5-61-12.1000110.6Q234 Q235 E241 L242Q234-D238 PolarHBondContact NE2-OD1 2.9Å; Q234-D238 PolarHBondContact O-N 2.81Å; Q235-D238 PolarHBondContact O-N 3.42Å; D238-E241 PolarHBondContact O-N 3.45Å; D238-L242 PolarHBondContact O-N 2.98Å
239E95Very high93.6Very high23 Ų2369.9 Ų69.911%0.10738%0.383CS..Hα-helixtrans-64.2-43.6177.1-71.7176.1-178.200112.1M161 W180 Q235 E241 L242 V243M161-E239 HydrophobicContact CE-CB 3.65Å; M161-E239 HydrophobicContact CE-CG 3.72Å; W180-E239 PolarHBondContact NE1-OE2 3.3Å; Q235-E239 HydrophobicContact CG-CG 4.28Å; Q235-E239 VanDerWaalsContact CG-OE1 3.26Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.34Å; Q235-E239 PolarHBondContact NE2-OE1 3.32Å; Q235-E239 WeakPolarHBondContact O-CB 3.12Å; Q235-E239 VanDerWaalsContact O-CG 3.29Å; Q235-E239 WeakPolarHBondContact O-CG 3.41Å; Q235-E239 PolarHBondContact O-N 2.87Å; E239-E241 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 2.69Å; E239-L242 WeakPolarHBondContact O-CB 3.02Å; E239-L242 PolarHBondContact O-N 3.07Å; E239-V243 WeakPolarHBondContact O-CB 3.47Å; E239-V243 VanDerWaalsContact O-CG2 3.25Å; E239-V243 WeakPolarHBondContact O-CG2 3.34Å; E239-V243 PolarHBondContact O-N 2.82Å
240L94.4Very high93.7Very high1 Ų170.2 Ų70.21%0.00538%0.376CS..Hα-helixtrans-68.9-29.5179.5-74.2178.2000113.2W180 Y192 L194 L219 L236 R237 L242 K244W180-L240 HydrophobicContact CB-CD2 3.84Å; W180-L240 HydrophobicContact CG-CD2 3.94Å; Y192-L240 HydrophobicContact CD1-CD1 3.43Å; Y192-L240 VanDerWaalsContact CD1-CD1 3.43Å; Y192-L240 HydrophobicContact CD1-CD2 4.41Å; Y192-L240 HydrophobicContact CD2-CD1 4.41Å; Y192-L240 HydrophobicContact CE1-CD1 3.83Å; Y192-L240 HydrophobicContact CG-CD1 3.77Å; L194-L240 HydrophobicContact CD1-CD2 3.87Å; L194-L240 HydrophobicContact CD2-CD2 4.29Å; L194-L240 HydrophobicContact CG-CD2 3.98Å; L219-L240 HydrophobicContact CD1-CD1 3.68Å; L219-L240 HydrophobicContact CD2-CB 4.42Å; L219-L240 HydrophobicContact CD2-CD1 3.98Å; L219-L240 HydrophobicContact CG-CD1 4.47Å; L236-L240 HydrophobicContact CD1-CD1 3.75Å; L236-L240 HydrophobicContact CD1-CG 3.89Å; L236-L240 HydrophobicContact CG-CD1 3.87Å; L236-L240 HydrophobicContact CG-CG 4.33Å; L236-L240 VanDerWaalsContact O-CB 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.46Å; L236-L240 VanDerWaalsContact O-CG 3.23Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.27Å; R237-L240 PolarHBondContact O-N 3.06Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-K244 VanDerWaalsContact O-CB 3.27Å; L240-K244 WeakPolarHBondContact O-CB 3.3Å; L240-K244 VanDerWaalsContact O-CG 3.23Å; L240-K244 WeakPolarHBondContact O-CG 3.29Å; L240-K244 PolarHBondContact O-N 3.22Å
241E92.8Very high93.8Very high152 Ų15266.2 Ų66.271%0.7136%0.359SS*.Hα-helixtrans-61.6-45.1171.1-173.7175.9-17900110.5R237 D238 E239 G245R237-E241 PolarHBondContact O-N 3.02Å; D238-E241 PolarHBondContact O-N 3.45Å; E239-E241 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 2.69Å; E241-G245 PolarHBondContact O-N 2.87Å
242L91.7Very high93.7Very high108 Ų10863.7 Ų63.757%0.56534%0.342SS*.Hα-helixtrans-66.5-48.3176.4-66170.5000112M161 D238 E239 L240 K244 G245 A246M161-L242 HydrophobicContact CE-CB 3.95Å; M161-L242 HydrophobicContact CE-CD1 3.96Å; M161-L242 HydrophobicContact SD-CD1 4.37Å; D238-L242 PolarHBondContact O-N 2.98Å; E239-L242 WeakPolarHBondContact O-CB 3.02Å; E239-L242 PolarHBondContact O-N 3.07Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.48Å; L242-G245 PolarHBondContact O-N 3.48Å; L242-G245 VanDerWaalsContact O-N 3.1Å; L242-A246 WeakPolarHBondContact O-CB 3.37Å; L242-A246 PolarHBondContact O-N 2.86Å
243V91.2Very high93.7Very high6 Ų670 Ų704%0.03637%0.371CS..Hα-helixtrans-60.6-46.1-179.2171.90000110.8M161 P177 W180 L194 E239 G245 A246 S247M161-V243 HydrophobicContact CE-CG2 4.09Å; P177-V243 HydrophobicContact CB-CG1 4.19Å; P177-V243 HydrophobicContact CG-CG1 3.92Å; W180-V243 HydrophobicContact CD2-CG2 4.14Å; W180-V243 HydrophobicContact CE3-CG1 4.31Å; W180-V243 HydrophobicContact CE3-CG2 4Å; W180-V243 HydrophobicContact CH2-CG2 3.39Å; W180-V243 HydrophobicContact CZ2-CG2 3.53Å; W180-V243 HydrophobicContact CZ3-CG1 4.25Å; W180-V243 HydrophobicContact CZ3-CG2 3.65Å; L194-V243 HydrophobicContact CD2-CG1 4.09Å; E239-V243 WeakPolarHBondContact O-CB 3.47Å; E239-V243 VanDerWaalsContact O-CG2 3.25Å; E239-V243 WeakPolarHBondContact O-CG2 3.34Å; E239-V243 PolarHBondContact O-N 2.82Å; V243-G245 PolarHBondContact O-N 2.74Å; V243-A246 PolarHBondContact O-N 3.42Å; V243-S247 WeakPolarHBondContact CG1-OG 3.34Å; V243-S247 VanDerWaalsContact O-CB 3.26Å; V243-S247 WeakPolarHBondContact O-CB 3.37Å; V243-S247 PolarHBondContact O-N 2.86Å; V243-S247 PolarHBondContact O-OG 2.81Å
244K89.4Confident93.7Very high109 Ų10973.2 Ų73.247%0.47439%0.387SS..Hα-helixtrans-65.5-27.1177.4-72.5176.6179.1-177.80112.9L240 L242L240-K244 VanDerWaalsContact O-CB 3.27Å; L240-K244 WeakPolarHBondContact O-CB 3.3Å; L240-K244 VanDerWaalsContact O-CG 3.23Å; L240-K244 WeakPolarHBondContact O-CG 3.29Å; L240-K244 PolarHBondContact O-N 3.22Å; L242-K244 PolarHBondContact O-N 3.48Å
245G87.2Confident93.7Very high72 Ų7269 Ų6974%0.74237%0.368SS*.Hα-helixtrans-85-27.1178.800000114.8E241 L242 V243E241-G245 PolarHBondContact O-N 2.87Å; L242-G245 PolarHBondContact O-N 3.48Å; L242-G245 VanDerWaalsContact O-N 3.1Å; V243-G245 PolarHBondContact O-N 2.74Å
246A86.7Confident93.6Very high91 Ų9167.8 Ų67.875%0.75236%0.364SS*.Hα-helixtrans-118.7-27.3-169.600000115L242 V243L242-A246 WeakPolarHBondContact O-CB 3.37Å; L242-A246 PolarHBondContact O-N 2.86Å; V243-A246 PolarHBondContact O-N 3.42Å
247S89.4Confident93.5Very high31 Ų3169.8 Ų69.822%0.21738%0.381CS..SBendtrans-85163.8-179.173.60000112.5V243V243-S247 WeakPolarHBondContact CG1-OG 3.34Å; V243-S247 VanDerWaalsContact O-CB 3.26Å; V243-S247 WeakPolarHBondContact O-CB 3.37Å; V243-S247 PolarHBondContact O-N 2.86Å; V243-S247 PolarHBondContact O-OG 2.81Å
248N93.2Very high93.3Very high67 Ų6769 Ų6936%0.35838%0.384SS..PPolyproline II helixtrans-72.7136.7176.6-54.4-84.3000110.3E168 C175 A176E168-N248 PolarHBondContact OE1-ND2 2.86Å; C175-N248 PolarHBondContact N-ND2 3.47Å; C175-N248 WeakPolarHBondContact O-CB 3.49Å; C175-N248 PolarHBondContact O-N 2.87Å; C175-N248 PolarHBondContact O-ND2 2.82Å; C175-N248 VanDerWaalsContact O-ND2 3.14Å; A176-N248 WeakPolarHBondContact CA-O 3.43Å
249E94.9Very high93.2Very high161 Ų16170.8 Ų70.875%0.75239%0.39SS*.PPolyproline II helixtrans-69.8147.6164.7-66.5-171.1163.200109.8D251E249-D251 PolarHBondContact O-N 2.86Å
250F96.4Very high93.3Very high38 Ų3870 Ų7017%0.16739%0.386CS..  trans-70.8115.4177.2177.6-106.4000110.2A176 I178 Y195 K252 F255 I260 P262 W284A176-F250 HydrophobicContact CB-CB 4.1Å; A176-F250 HydrophobicContact CB-CD2 4.36Å; I178-F250 HydrophobicContact CD1-CB 3.82Å; I178-F250 HydrophobicContact CD1-CD2 4.13Å; I178-F250 HydrophobicContact CD1-CG 3.92Å; Y195-F250 HydrophobicContact CE1-CB 4.31Å; Y195-F250 HydrophobicContact CE2-CB 4.21Å; Y195-F250 VanDerWaalsContact OH-CB 3.29Å; Y195-F250 WeakPolarHBondContact OH-CB 3.28Å; Y195-F250 PolarHBondContact OH-N 3.48Å; F250-K252 HydrophobicContact CE1-CB 4.4Å; F250-F255 HydrophobicContact CE2-CB 3.84Å; F250-F255 HydrophobicContact CE2-CG 4.08Å; F250-F255 HydrophobicContact CZ-CB 4.32Å; F250-F255 HydrophobicContact CZ-CD1 4.46Å; F250-F255 HydrophobicContact CZ-CG 4.44Å; F250-I260 HydrophobicContact CD2-CD1 4.24Å; F250-P262 HydrophobicContact CD2-CB 3.92Å; F250-P262 HydrophobicContact CD2-CG 4.47Å; F250-P262 HydrophobicContact CE2-CB 3.89Å; F250-P262 HydrophobicContact CE2-CG 3.98Å; F250-W284 HydrophobicContact CD1-CZ2 4.44Å; F250-W284 AromaticContact CE1-CD1 3.98Å; F250-W284 AromaticContact CE1-CD2 3.63Å; F250-W284 HydrophobicContact CE1-CD2 3.63Å; F250-W284 AromaticContact CE1-CE2 3.6Å; F250-W284 HydrophobicContact CE1-CE3 4.11Å; F250-W284 AromaticContact CE1-CG 3.9Å; F250-W284 HydrophobicContact CE1-CG 3.9Å; F250-W284 HydrophobicContact CE1-CH2 4.49Å; F250-W284 HydrophobicContact CE1-CZ2 4.08Å; F250-W284 HydrophobicContact CE1-CZ3 4.5Å; F250-W284 AromaticContact CE1-NE1 3.83Å; F250-W284 HydrophobicContact CE2-CD2 4.31Å; F250-W284 HydrophobicContact CE2-CE3 4.07Å; F250-W284 HydrophobicContact CE2-CZ3 4.44Å; F250-W284 HydrophobicContact CZ-CB 4.08Å; F250-W284 AromaticContact CZ-CD2 3.42Å; F250-W284 HydrophobicContact CZ-CD2 3.42Å; F250-W284 VanDerWaalsContact CZ-CD2 3.42Å; F250-W284 AromaticContact CZ-CE2 3.93Å; F250-W284 AromaticContact CZ-CE3 3.63Å; F250-W284 HydrophobicContact CZ-CE3 3.63Å; F250-W284 AromaticContact CZ-CG 3.61Å; F250-W284 HydrophobicContact CZ-CG 3.61Å; F250-W284 HydrophobicContact CZ-CZ3 4.25Å
251D96.5Very high93.5Very high67 Ų6770 Ų7036%0.35839%0.386SS..  trans-114.7122.6171.4-173.2-60000109.9E249 E253 L254 F255 I260E249-D251 PolarHBondContact O-N 2.86Å; D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.16Å; D251-E253 WeakPolarHBondContact OD1-CA 3.31Å; D251-E253 WeakPolarHBondContact OD1-CB 3.18Å; D251-E253 PolarHBondContact OD1-N 3.12Å; D251-L254 HydrophobicContact CB-CB 4.08Å; D251-L254 HydrophobicContact CB-CD1 3.9Å; D251-L254 HydrophobicContact CB-CG 3.91Å; D251-L254 PolarHBondContact O-N 3.16Å; D251-L254 PolarHBondContact OD1-N 2.72Å; D251-L254 VanDerWaalsContact OD1-N 3.09Å; D251-F255 WeakPolarHBondContact O-CB 3.18Å; D251-F255 PolarHBondContact O-N 2.93Å; D251-I260 HydrophobicContact CB-CD1 4.18Å; D251-I260 VanDerWaalsContact N-CD1 3.27Å; D251-I260 VanDerWaalsContact O-CD1 3.3Å; D251-I260 WeakPolarHBondContact O-CD1 3.17Å
252K95.5Very high93.8Very high89 Ų8962.7 Ų62.739%0.38735%0.352SS..Hα-helixtrans-66.2-34.6-177.3-175.4169.7-177.7164.60112.5F250 F255 L256 E283F250-K252 HydrophobicContact CE1-CB 4.4Å; K252-F255 PolarHBondContact O-N 2.71Å; K252-L256 HydrophobicContact CG-CD1 4.2Å; K252-L256 HydrophobicContact CG-CG 4.42Å; K252-L256 WeakPolarHBondContact O-CB 3.32Å; K252-L256 VanDerWaalsContact O-CG 3.23Å; K252-L256 WeakPolarHBondContact O-CG 3.07Å; K252-L256 PolarHBondContact O-N 2.93Å; K252-E283 PolarHBondContact NZ-O 3.18Å; K252-E283 VanDerWaalsContact NZ-O 3.16Å
253E95.9Very high94.1Very high159 Ų15957.6 Ų57.674%0.74333%0.325SS*.Hα-helixtrans-69.1-44.9179.2-61.3-174.6175.400110.4D251 F255 L256 A257D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.16Å; D251-E253 WeakPolarHBondContact OD1-CA 3.31Å; D251-E253 WeakPolarHBondContact OD1-CB 3.18Å; D251-E253 PolarHBondContact OD1-N 3.12Å; E253-F255 VanDerWaalsContact C-N 3.32Å; E253-F255 PolarHBondContact O-N 2.82Å; E253-L256 PolarHBondContact O-N 2.87Å; E253-A257 PolarHBondContact O-N 3.44Å
254L96.2Very high94.4Very high67 Ų6757.3 Ų57.335%0.35132%0.323SS..Hα-helixtrans-63.7-37175.1-61.5-177.2000112.3D251 A257 G258 E259 I260D251-L254 HydrophobicContact CB-CB 4.08Å; D251-L254 HydrophobicContact CB-CD1 3.9Å; D251-L254 HydrophobicContact CB-CG 3.91Å; D251-L254 PolarHBondContact O-N 3.16Å; D251-L254 PolarHBondContact OD1-N 2.72Å; D251-L254 VanDerWaalsContact OD1-N 3.09Å; L254-A257 PolarHBondContact O-N 2.91Å; L254-G258 PolarHBondContact O-N 3.06Å; L254-E259 HydrophobicContact CB-CB 4.39Å; L254-E259 PolarHBondContact O-N 2.69Å; L254-I260 HydrophobicContact CB-CD1 3.99Å; L254-I260 HydrophobicContact CB-CG1 3.81Å; L254-I260 HydrophobicContact CB-CG2 4.11Å; L254-I260 HydrophobicContact CD1-CG2 4.27Å; L254-I260 PolarHBondContact O-N 2.68Å
255F96.6Very high94.8Very high0 Ų052.1 Ų52.10%030%0.301CS..Hα-helixtrans-63.4-45.6174.2163.3-109000111.6P145 I146 L147 F250 D251 K252 E253 A257 G258 I260 P262 W284P145-F255 HydrophobicContact CB-CD2 4.31Å; P145-F255 HydrophobicContact CB-CE1 4.12Å; P145-F255 HydrophobicContact CB-CE2 3.79Å; P145-F255 HydrophobicContact CB-CZ 3.68Å; P145-F255 WeakPolarHBondContact CB-O 3.28Å; I146-F255 WeakPolarHBondContact O-CE2 3.1Å; L147-F255 HydrophobicContact CD1-CE2 3.94Å; L147-F255 HydrophobicContact CD1-CZ 3.69Å; L147-F255 HydrophobicContact CG-CE2 4.01Å; L147-F255 HydrophobicContact CG-CZ 4.11Å; F250-F255 HydrophobicContact CE2-CB 3.84Å; F250-F255 HydrophobicContact CE2-CG 4.08Å; F250-F255 HydrophobicContact CZ-CB 4.32Å; F250-F255 HydrophobicContact CZ-CD1 4.46Å; F250-F255 HydrophobicContact CZ-CG 4.44Å; D251-F255 WeakPolarHBondContact O-CB 3.18Å; D251-F255 PolarHBondContact O-N 2.93Å; K252-F255 PolarHBondContact O-N 2.71Å; E253-F255 VanDerWaalsContact C-N 3.32Å; E253-F255 PolarHBondContact O-N 2.82Å; F255-A257 PolarHBondContact O-N 2.82Å; F255-G258 PolarHBondContact O-N 2.81Å; F255-I260 HydrophobicContact CB-CG1 4.07Å; F255-P262 VanDerWaalsContact CD2-CD 3.43Å; F255-P262 HydrophobicContact CD2-CG 4.14Å; F255-P262 HydrophobicContact CE2-CG 4.16Å; F255-W284 HydrophobicContact CD1-CB 4.18Å; F255-W284 HydrophobicContact CE1-CB 3.89Å; F255-W284 WeakPolarHBondContact CE1-O 3.39Å
256L94.9Very high95.3Very high64 Ų6448.7 Ų48.734%0.33527%0.266SS..Hα-helixtrans-67.4-25.1178-70.6176.9000113P145 K252 E253 G258 P286P145-L256 HydrophobicContact CG-CD2 4.34Å; K252-L256 HydrophobicContact CG-CD1 4.2Å; K252-L256 HydrophobicContact CG-CG 4.42Å; K252-L256 WeakPolarHBondContact O-CB 3.32Å; K252-L256 VanDerWaalsContact O-CG 3.23Å; K252-L256 WeakPolarHBondContact O-CG 3.07Å; K252-L256 PolarHBondContact O-N 2.93Å; E253-L256 PolarHBondContact O-N 2.87Å; L256-G258 VanDerWaalsContact C-N 3.28Å; L256-P286 HydrophobicContact CD2-CB 3.89Å; L256-P286 HydrophobicContact CD2-CG 4.11Å
257A93.2Very high95.8Very high44 Ų4444.4 Ų44.436%0.36423%0.23SC..THydrogen-bonded Turntrans-80.2-6.6170.700000113.5E253 L254 F255 E259E253-A257 PolarHBondContact O-N 3.44Å; L254-A257 PolarHBondContact O-N 2.91Å; F255-A257 PolarHBondContact O-N 2.82Å; A257-E259 VanDerWaalsContact C-N 3.3Å; A257-E259 HydrophobicContact CB-CG 4.07Å; A257-E259 PolarHBondContact O-N 3.21Å
258G92.8Very high95.9Very high20 Ų2042.9 Ų42.921%0.20622%0.219CC..THydrogen-bonded Turntrans73.917.1-17700000114.4L254 F255 L256L254-G258 PolarHBondContact O-N 3.06Å; F255-G258 PolarHBondContact O-N 2.81Å; L256-G258 VanDerWaalsContact C-N 3.28Å
259E94.2Very high95.8Very high118 Ų11844.7 Ų44.755%0.55123%0.228SC*.SBendtrans-87.2-30.5-178.1-65.3-173.8-156.700112.8I173 G174 L254 A257I173-E259 WeakPolarHBondContact CG1-O 3.42Å; G174-E259 PolarHBondContact N-O 3.32Å; L254-E259 HydrophobicContact CB-CB 4.39Å; L254-E259 PolarHBondContact O-N 2.69Å; A257-E259 VanDerWaalsContact C-N 3.3Å; A257-E259 HydrophobicContact CB-CG 4.07Å; A257-E259 PolarHBondContact O-N 3.21Å
260I96.8Very high95.6Very high6 Ų637.2 Ų37.23%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-125.8155.417370.6171.3000111.6G174 A176 F250 D251 L254 F255G174-I260 CarbonylContact O-C 3.59Å; G174-I260 WeakPolarHBondContact O-CA 3.27Å; A176-I260 HydrophobicContact CB-CD1 4.12Å; F250-I260 HydrophobicContact CD2-CD1 4.24Å; D251-I260 HydrophobicContact CB-CD1 4.18Å; D251-I260 VanDerWaalsContact N-CD1 3.27Å; D251-I260 VanDerWaalsContact O-CD1 3.3Å; D251-I260 WeakPolarHBondContact O-CD1 3.17Å; L254-I260 HydrophobicContact CB-CD1 3.99Å; L254-I260 HydrophobicContact CB-CG1 3.81Å; L254-I260 HydrophobicContact CB-CG2 4.11Å; L254-I260 HydrophobicContact CD1-CG2 4.27Å; L254-I260 PolarHBondContact O-N 2.68Å; F255-I260 HydrophobicContact CB-CG1 4.07Å
261T97.8Very high95.3Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-121.3126.7172.4174.90000110.7I146 T148 I173 G174 A176 V263I146-T261 WeakPolarHBondContact O-CA 3.47Å; I146-T261 VanDerWaalsContact O-CB 3.27Å; I146-T261 WeakPolarHBondContact O-CB 3.12Å; I146-T261 PolarHBondContact O-OG1 3.24Å; T148-T261 WeakPolarHBondContact CB-OG1 3.47Å; T148-T261 PolarHBondContact N-OG1 2.96Å; T148-T261 WeakPolarHBondContact OG1-CG2 3.47Å; T148-T261 PolarHBondContact OG1-OG1 2.96Å; I173-T261 HydrophobicContact CD1-CG2 3.98Å; I173-T261 HydrophobicContact CG1-CG2 4.09Å; I173-T261 HydrophobicContact CG2-CG2 4.08Å; G174-T261 PolarHBondContact O-N 2.67Å; A176-T261 PolarHBondContact N-O 2.76Å; T261-V263 HydrophobicContact CG2-CG2 4.31Å; T261-V263 PolarHBondContact O-N 2.84Å
262P98.2Very high95.3Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-66.5125.916827.5-33000109.7I146 L147 T148 A176 I178 F250 F255 F264 W284I146-P262 WeakPolarHBondContact O-CD 3.39Å; L147-P262 HydrophobicContact CB-CG 4.15Å; L147-P262 HydrophobicContact CD2-CG 4.01Å; L147-P262 HydrophobicContact CG-CG 3.72Å; T148-P262 PolarHBondContact N-O 2.93Å; A176-P262 CarbonylContact O-C 3.54Å; A176-P262 VanDerWaalsContact O-CA 3.28Å; A176-P262 WeakPolarHBondContact O-CA 3.26Å; I178-P262 HydrophobicContact CD1-CB 3.85Å; I178-P262 HydrophobicContact CG1-CB 3.51Å; F250-P262 HydrophobicContact CD2-CB 3.92Å; F250-P262 HydrophobicContact CD2-CG 4.47Å; F250-P262 HydrophobicContact CE2-CB 3.89Å; F250-P262 HydrophobicContact CE2-CG 3.98Å; F255-P262 VanDerWaalsContact CD2-CD 3.43Å; F255-P262 HydrophobicContact CD2-CG 4.14Å; F255-P262 HydrophobicContact CE2-CG 4.16Å; P262-F264 HydrophobicContact CB-CE2 3.96Å; P262-F264 HydrophobicContact CG-CE2 4.35Å; P262-W284 HydrophobicContact CB-CE3 4.24Å; P262-W284 HydrophobicContact CB-CZ3 3.84Å; P262-W284 HydrophobicContact CG-CE3 4.17Å; P262-W284 HydrophobicContact CG-CZ3 4.23Å
263V98.5Very high95.2Very high0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-103.3122.4-176.7-170.50000110.8T148 M150 L164 C175 A176 I178 T179 T261 F265T148-V263 HydrophobicContact CG2-CG1 4.32Å; M150-V263 HydrophobicContact CE-CG1 4.16Å; M150-V263 HydrophobicContact CG-CG1 3.76Å; L164-V263 HydrophobicContact CD2-CB 4.21Å; L164-V263 HydrophobicContact CD2-CG1 3.89Å; L164-V263 HydrophobicContact CD2-CG2 4Å; C175-V263 HydrophobicContact CB-CG2 3.89Å; A176-V263 PolarHBondContact O-N 2.94Å; I178-V263 PolarHBondContact N-O 2.95Å; T179-V263 PolarHBondContact N-O 2.92Å; T261-V263 HydrophobicContact CG2-CG2 4.31Å; T261-V263 PolarHBondContact O-N 2.84Å; V263-F265 HydrophobicContact CG1-CD2 4.12Å; V263-F265 HydrophobicContact CG1-CE2 3.67Å; V263-F265 HydrophobicContact CG1-CZ 4.34Å
264F98.5Very high95.1Very high1 Ų121.3 Ų21.30%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-111.7148.2175.8-66.3-91.4000110.6L147 T148 F149 M150 I178 T179 P262 H276 M277 W284L147-F264 HydrophobicContact CD2-CE2 4.11Å; T148-F264 PolarHBondContact O-N 2.8Å; F149-F264 CarbonylContact C-O 3.55Å; F149-F264 WeakPolarHBondContact CA-O 3.42Å; F149-F264 HydrophobicContact CD2-CB 3.81Å; F149-F264 HydrophobicContact CE2-CB 4.47Å; M150-F264 PolarHBondContact N-O 2.86Å; I178-F264 HydrophobicContact CB-CD1 4.13Å; I178-F264 HydrophobicContact CB-CE1 3.75Å; I178-F264 HydrophobicContact CB-CE2 4.34Å; I178-F264 HydrophobicContact CB-CZ 3.88Å; I178-F264 HydrophobicContact CG1-CE1 4.23Å; I178-F264 HydrophobicContact CG1-CE2 3.99Å; I178-F264 HydrophobicContact CG1-CZ 3.82Å; I178-F264 HydrophobicContact CG2-CD1 4.23Å; I178-F264 HydrophobicContact CG2-CE1 3.49Å; I178-F264 VanDerWaalsContact CG2-CE1 3.49Å; I178-F264 HydrophobicContact CG2-CZ 3.8Å; T179-F264 HydrophobicContact CG2-CD1 3.96Å; T179-F264 HydrophobicContact CG2-CE1 4.45Å; T179-F264 WeakPolarHBondContact OG1-CA 3.34Å; P262-F264 HydrophobicContact CB-CE2 3.96Å; P262-F264 HydrophobicContact CG-CE2 4.35Å; F264-H276 HydrophobicContact CD1-CB 4.15Å; F264-H276 HydrophobicContact CE1-CB 4.24Å; F264-H276 WeakPolarHBondContact CE1-O 3.39Å; F264-M277 HydrophobicContact CB-CB 4.15Å; F264-M277 HydrophobicContact CD1-CB 4.22Å; F264-M277 HydrophobicContact CD2-CB 4.22Å; F264-M277 HydrophobicContact CD2-CG 4.24Å; F264-M277 HydrophobicContact CG-CB 3.94Å; F264-M277 HydrophobicContact CG-CG 4.4Å; F264-W284 AromaticContact CE2-CZ3 3.98Å; F264-W284 HydrophobicContact CE2-CZ3 3.98Å; F264-W284 HydrophobicContact CZ-CH2 4Å; F264-W284 AromaticContact CZ-CZ3 3.55Å; F264-W284 HydrophobicContact CZ-CZ3 3.55Å
265F98.4Very high94.9Very high0 Ų019.7 Ų19.70%011%0.112CC..EExtended strand (participates in β ladder)trans-123.2134.3-176.6-83.9-93.7000109.1M150 L153 P160 L164 T179 W180 P181 V191 V263M150-F265 HydrophobicContact CB-CD1 3.51Å; M150-F265 HydrophobicContact CB-CD2 4.44Å; M150-F265 HydrophobicContact CB-CE1 3.65Å; M150-F265 HydrophobicContact CB-CG 3.96Å; M150-F265 HydrophobicContact CB-CZ 4.23Å; M150-F265 HydrophobicContact CG-CD1 4.02Å; M150-F265 HydrophobicContact CG-CD2 4.41Å; M150-F265 HydrophobicContact CG-CE1 3.69Å; M150-F265 HydrophobicContact CG-CE2 4.16Å; M150-F265 HydrophobicContact CG-CG 4.4Å; M150-F265 HydrophobicContact CG-CZ 3.8Å; L153-F265 HydrophobicContact CD1-CB 3.86Å; L153-F265 HydrophobicContact CD1-CD1 4.25Å; L153-F265 HydrophobicContact CD2-CD1 4.28Å; P160-F265 HydrophobicContact CB-CE1 3.93Å; P160-F265 HydrophobicContact CB-CZ 3.94Å; P160-F265 HydrophobicContact CG-CE1 4.47Å; L164-F265 HydrophobicContact CD2-CZ 4.43Å; T179-F265 WeakPolarHBondContact O-CD2 3.42Å; T179-F265 PolarHBondContact OG1-N 2.75Å; W180-F265 HydrophobicContact CE3-CE2 4.25Å; W180-F265 HydrophobicContact CZ3-CE2 4.28Å; W180-F265 HydrophobicContact CZ3-CZ 4.41Å; P181-F265 HydrophobicContact CB-CB 4.39Å; P181-F265 HydrophobicContact CB-CD1 4.16Å; P181-F265 HydrophobicContact CB-CG 4.46Å; P181-F265 HydrophobicContact CG-CD1 3.68Å; P181-F265 HydrophobicContact CG-CE1 3.96Å; P181-F265 HydrophobicContact CG-CG 4.14Å; V191-F265 HydrophobicContact CG1-CB 4.07Å; V191-F265 VanDerWaalsContact CG1-O 3.31Å; V191-F265 WeakPolarHBondContact CG1-O 3.41Å; V263-F265 HydrophobicContact CG1-CD2 4.12Å; V263-F265 HydrophobicContact CG1-CE2 3.67Å; V263-F265 HydrophobicContact CG1-CZ 4.34Å
266G97.3Very high94.8Very high0 Ų020.1 Ų20.10%011%0.114CC..  trans179.8-169.4-179.800000115.8M150 N151 K152 L153 F272M150-G266 PolarHBondContact O-N 3.47Å; N151-G266 CarbonylContact C-O 3.59Å; N151-G266 WeakPolarHBondContact CA-O 3.49Å; K152-G266 PolarHBondContact N-O 2.91Å; L153-G266 WeakPolarHBondContact CG-O 3.46Å; L153-G266 PolarHBondContact N-O 3Å; G266-F272 WeakPolarHBondContact CA-O 3.42Å
267T95.9Very high94.9Very high0 Ų017 Ų170%010%0.098CC..BIsolated β-bridgetrans-133.8109.7174.6171.50000109.4D154 F188 Y202 L269 G270 N271 F272D154-T267 VanDerWaalsContact OD1-CB 3.31Å; D154-T267 WeakPolarHBondContact OD1-CB 3.36Å; D154-T267 PolarHBondContact OD1-OG1 3.02Å; F188-T267 HydrophobicContact CD1-CG2 4.48Å; F188-T267 HydrophobicContact CE1-CG2 4Å; Y202-T267 HydrophobicContact CD2-CG2 4.49Å; Y202-T267 HydrophobicContact CE2-CG2 3.87Å; T267-L269 PolarHBondContact O-N 2.75Å; T267-L269 PolarHBondContact OG1-N 2.76Å; T267-G270 CarbonylContact O-C 3.6Å; T267-G270 PolarHBondContact O-N 2.78Å; T267-G270 PolarHBondContact OG1-N 2.84Å; T267-N271 PolarHBondContact O-N 3.04Å; T267-F272 HydrophobicContact CG2-CB 3.99Å; T267-F272 PolarHBondContact N-O 2.95Å; T267-F272 PolarHBondContact O-N 3.11Å
268A92.8Very high94.9Very high0 Ų015 Ų150%08%0.08CC..THydrogen-bonded Turntrans-60.9-36.3172.400000110.5T37 I38 K41 N151 N271T37-A268 HydrophobicContact CG2-CB 3.8Å; I38-A268 HydrophobicContact CB-CB 4.14Å; I38-A268 HydrophobicContact CD1-CB 3.86Å; K41-A268 WeakPolarHBondContact CE-O 3.13Å; K41-A268 VanDerWaalsContact CG-O 3.25Å; K41-A268 WeakPolarHBondContact CG-O 3.23Å; N151-A268 WeakPolarHBondContact OD1-CB 3.45Å; N151-A268 PolarHBondContact OD1-N 2.78Å; A268-N271 PolarHBondContact O-N 2.56Å
269L91.2Very high95Very high104 Ų10415.7 Ų15.755%0.5458%0.08SC..THydrogen-bonded Turntrans-64.6-43.8178.3-175.864.4000111.5G207 T267 N271G207-L269 WeakPolarHBondContact CA-O 2.99Å; T267-L269 PolarHBondContact O-N 2.75Å; T267-L269 PolarHBondContact OG1-N 2.76Å; L269-N271 PolarHBondContact O-N 2.95Å
270G90.6Very high95.1Very high4 Ų410.2 Ų10.24%0.0416%0.055CC..THydrogen-bonded Turntrans-76.7-2.1175.600000114.6Q211 T267Q211-G270 PolarHBondContact NE2-O 2.79Å; T267-G270 CarbonylContact O-C 3.6Å; T267-G270 PolarHBondContact O-N 2.78Å; T267-G270 PolarHBondContact OG1-N 2.84Å
271N90.2Very high95Very high3 Ų310 Ų102%0.0165%0.053CC..THydrogen-bonded Turntrans53.549.9-174.7-162.641.8000112.7K41 F45 T209 I210 T267 A268 L269K41-N271 HydrophobicContact CD-CB 4.24Å; K41-N271 WeakPolarHBondContact CD-OD1 3.27Å; F45-N271 VanDerWaalsContact CE2-OD1 3.22Å; F45-N271 WeakPolarHBondContact CE2-OD1 3.44Å; T209-N271 PolarHBondContact O-ND2 3.26Å; I210-N271 WeakPolarHBondContact CA-ND2 3.45Å; T267-N271 PolarHBondContact O-N 3.04Å; A268-N271 PolarHBondContact O-N 2.56Å; L269-N271 PolarHBondContact O-N 2.95Å
272F95Very high94.9Very high16 Ų1610.4 Ų10.47%0.076%0.056CC..BIsolated β-bridgetrans-136.8132.1-174.8-174.9-95.5000111.7F188 V191 Y200 Y202 G266 T267 V274F188-F272 AromaticContact CE1-CD1 3.77Å; F188-F272 HydrophobicContact CE1-CD1 3.77Å; F188-F272 HydrophobicContact CE1-CE1 4.14Å; F188-F272 AromaticContact CZ-CD1 3.74Å; F188-F272 HydrophobicContact CZ-CD1 3.74Å; F188-F272 AromaticContact CZ-CE1 3.76Å; F188-F272 HydrophobicContact CZ-CE1 3.76Å; V191-F272 HydrophobicContact CB-CE1 4.38Å; V191-F272 HydrophobicContact CG1-CE1 4.06Å; V191-F272 HydrophobicContact CG2-CE1 3.89Å; V191-F272 HydrophobicContact CG2-CZ 4.1Å; Y200-F272 WeakPolarHBondContact O-CZ 3.23Å; Y202-F272 HydrophobicContact CD2-CB 3.54Å; Y202-F272 HydrophobicContact CD2-CD1 4.11Å; Y202-F272 AromaticContact CD2-CD2 3.76Å; Y202-F272 HydrophobicContact CD2-CD2 3.76Å; Y202-F272 AromaticContact CD2-CG 3.52Å; Y202-F272 HydrophobicContact CD2-CG 3.52Å; Y202-F272 HydrophobicContact CE2-CB 3.89Å; Y202-F272 HydrophobicContact CE2-CG 4.35Å; Y202-F272 HydrophobicContact CG-CD1 4.35Å; Y202-F272 HydrophobicContact CG-CD2 4.35Å; Y202-F272 HydrophobicContact CG-CG 4.15Å; G266-F272 WeakPolarHBondContact CA-O 3.42Å; T267-F272 HydrophobicContact CG2-CB 3.99Å; T267-F272 PolarHBondContact N-O 2.95Å; T267-F272 PolarHBondContact O-N 3.11Å; F272-V274 PolarHBondContact O-N 3.37Å
273G94.4Very high94.7Very high1 Ų115 Ų151%0.018%0.078CC..SBendtrans81.7-6.5-177.300000114.5D275 H276 M277G273-D275 PolarHBondContact N-OD1 3.1Å; G273-H276 PolarHBondContact O-N 3.22Å; G273-M277 PolarHBondContact O-N 3.41Å; G273-M277 VanDerWaalsContact O-N 3.16Å
274V93.7Very high94.5Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-69.9-38.6178.4-177.40000111I38 K41 V42 F45 F149 F272 M277 L278I38-V274 HydrophobicContact CD1-CB 4.21Å; I38-V274 HydrophobicContact CD1-CG1 3.81Å; I38-V274 HydrophobicContact CD1-CG2 3.54Å; K41-V274 HydrophobicContact CB-CB 4.4Å; K41-V274 HydrophobicContact CB-CG1 3.92Å; K41-V274 HydrophobicContact CB-CG2 4.08Å; K41-V274 HydrophobicContact CG-CG2 4.42Å; V42-V274 HydrophobicContact CG2-CG1 3.87Å; F45-V274 HydrophobicContact CD2-CB 4.22Å; F45-V274 HydrophobicContact CD2-CG1 4Å; F45-V274 HydrophobicContact CE2-CB 3.84Å; F45-V274 HydrophobicContact CE2-CG1 4.13Å; F149-V274 HydrophobicContact CZ-CG2 4.38Å; F272-V274 PolarHBondContact O-N 3.37Å; V274-M277 HydrophobicContact CG1-CE 4.17Å; V274-M277 PolarHBondContact O-N 3.17Å; V274-L278 VanDerWaalsContact O-CB 3.27Å; V274-L278 WeakPolarHBondContact O-CB 3.35Å; V274-L278 PolarHBondContact O-N 3.48Å
275D92.1Very high94.3Very high32 Ų3216.4 Ų16.417%0.1718%0.084CC..Hα-helixtrans-59.8-47.9171.750.2-23.7000111.9F45 G273 M277 L278 D279F45-D275 HydrophobicContact CD1-CB 4.12Å; F45-D275 HydrophobicContact CE1-CB 3.67Å; F45-D275 HydrophobicContact CE2-CB 4.46Å; F45-D275 HydrophobicContact CZ-CB 3.87Å; G273-D275 PolarHBondContact N-OD1 3.1Å; D275-M277 VanDerWaalsContact C-N 3.32Å; D275-M277 PolarHBondContact O-N 2.91Å; D275-L278 PolarHBondContact O-N 3.49Å; D275-L278 VanDerWaalsContact O-N 3.12Å; D275-D279 WeakPolarHBondContact O-CB 3.27Å; D275-D279 PolarHBondContact O-N 3.37Å
276H94.8Very high94.2Very high9 Ų917.2 Ų17.24%0.0429%0.089CC..Hα-helixtrans-61.1-42.5178.3-54.6161.3000112.2T179 Y200 F264 G273 G280T179-H276 HydrophobicContact CG2-CB 4.34Å; Y200-H276 AromaticContact CD1-CE1 3.54Å; Y200-H276 AromaticContact CD1-NE2 3.14Å; Y200-H276 WeakPolarHBondContact CD1-NE2 3.47Å; Y200-H276 AromaticContact CD2-CE1 3.74Å; Y200-H276 AromaticContact CD2-NE2 3.99Å; Y200-H276 AromaticContact CE1-NE2 3.42Å; Y200-H276 WeakPolarHBondContact CE1-NE2 3.48Å; Y200-H276 AromaticContact CG-CE1 3.33Å; Y200-H276 AromaticContact CG-NE2 3.46Å; F264-H276 HydrophobicContact CD1-CB 4.15Å; F264-H276 HydrophobicContact CE1-CB 4.24Å; F264-H276 WeakPolarHBondContact CE1-O 3.39Å; G273-H276 PolarHBondContact O-N 3.22Å; H276-G280 PolarHBondContact O-N 2.76Å; H276-G280 VanDerWaalsContact O-N 3.08Å
277M96Very high94Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-63.4-43.5174.9176-79.2-60.800111.1I38 V42 L119 F149 F264 G273 V274 D275 G280 L281I38-M277 HydrophobicContact CD1-CE 4.35Å; I38-M277 HydrophobicContact CG1-CE 4.37Å; V42-M277 HydrophobicContact CG2-CE 3.93Å; L119-M277 HydrophobicContact CD1-CE 4.41Å; L119-M277 HydrophobicContact CD1-CG 3.76Å; L119-M277 HydrophobicContact CD1-SD 3.63Å; L119-M277 HydrophobicContact CD2-CE 3.53Å; L119-M277 HydrophobicContact CD2-SD 3.66Å; L119-M277 HydrophobicContact CG-SD 4.25Å; F149-M277 HydrophobicContact CD2-CB 4.05Å; F149-M277 HydrophobicContact CD2-CG 4.24Å; F264-M277 HydrophobicContact CB-CB 4.15Å; F264-M277 HydrophobicContact CD1-CB 4.22Å; F264-M277 HydrophobicContact CD2-CB 4.22Å; F264-M277 HydrophobicContact CD2-CG 4.24Å; F264-M277 HydrophobicContact CG-CB 3.94Å; F264-M277 HydrophobicContact CG-CG 4.4Å; G273-M277 PolarHBondContact O-N 3.41Å; G273-M277 VanDerWaalsContact O-N 3.16Å; V274-M277 HydrophobicContact CG1-CE 4.17Å; V274-M277 PolarHBondContact O-N 3.17Å; D275-M277 VanDerWaalsContact C-N 3.32Å; D275-M277 PolarHBondContact O-N 2.91Å; M277-G280 PolarHBondContact O-N 2.96Å; M277-L281 WeakPolarHBondContact O-CB 3.03Å; M277-L281 PolarHBondContact O-N 3.27Å; M277-L281 HydrophobicContact SD-CD1 4.27Å
278L94.7Very high94Very high0 Ų019.4 Ų19.40%011%0.106CC..Hα-helixtrans-68.7-36.5-178.9-169.559.9000112V42 F45 F86 Y88 V274 D275 L281 V282V42-L278 HydrophobicContact CG1-CD1 4.18Å; V42-L278 HydrophobicContact CG1-CD2 4.44Å; F45-L278 HydrophobicContact CB-CD2 3.88Å; F86-L278 HydrophobicContact CE2-CD2 4.5Å; Y88-L278 HydrophobicContact CD1-CD2 3.9Å; Y88-L278 HydrophobicContact CD1-CG 3.65Å; Y88-L278 HydrophobicContact CD2-CD2 3.49Å; Y88-L278 VanDerWaalsContact CD2-CD2 3.49Å; Y88-L278 HydrophobicContact CD2-CG 4.21Å; Y88-L278 HydrophobicContact CE1-CB 4.06Å; Y88-L278 HydrophobicContact CE1-CD2 3.85Å; Y88-L278 HydrophobicContact CE1-CG 3.54Å; Y88-L278 HydrophobicContact CE2-CD2 3.46Å; Y88-L278 VanDerWaalsContact CE2-CD2 3.46Å; Y88-L278 HydrophobicContact CE2-CG 4.14Å; Y88-L278 HydrophobicContact CG-CD2 3.71Å; Y88-L278 HydrophobicContact CG-CG 3.97Å; V274-L278 VanDerWaalsContact O-CB 3.27Å; V274-L278 WeakPolarHBondContact O-CB 3.35Å; V274-L278 PolarHBondContact O-N 3.48Å; D275-L278 PolarHBondContact O-N 3.49Å; D275-L278 VanDerWaalsContact O-N 3.12Å; L278-L281 WeakPolarHBondContact O-CB 3.49Å; L278-L281 PolarHBondContact O-N 2.94Å; L278-V282 WeakPolarHBondContact O-CG2 3.07Å; L278-V282 PolarHBondContact O-N 3.23Å
279D94.9Very high94Very high36 Ų3621.8 Ų21.819%0.19312%0.118CC..Hα-helixtrans-59-51.7171.1-71.4-13.5000110.6Y88 H89 D275 L281 V282 E283Y88-D279 VanDerWaalsContact CE1-OD1 3.29Å; Y88-D279 WeakPolarHBondContact CE1-OD1 3.42Å; Y88-D279 PolarHBondContact OH-OD1 2.76Å; H89-D279 IonicContact CD2-OD1 2.85Å; H89-D279 IonicContact CE1-OD1 3.35Å; H89-D279 IonicContact NE2-OD1 3.82Å; H89-D279 PolarHBondContact NE2-OD1 3Å; D275-D279 WeakPolarHBondContact O-CB 3.27Å; D275-D279 PolarHBondContact O-N 3.37Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.31Å; D279-V282 WeakPolarHBondContact O-CG2 3.48Å; D279-V282 PolarHBondContact O-N 3.19Å; D279-E283 WeakPolarHBondContact O-CB 3.32Å; D279-E283 PolarHBondContact O-N 2.67Å
280G94.9Very high94.1Very high3 Ų319.7 Ų19.73%0.03111%0.111CC..Hα-helixtrans-61.2-37.8175.900000112.8H276 M277 W284H276-G280 PolarHBondContact O-N 2.76Å; H276-G280 VanDerWaalsContact O-N 3.08Å; M277-G280 PolarHBondContact O-N 2.96Å; G280-W284 WeakPolarHBondContact O-CB 3.29Å; G280-W284 PolarHBondContact O-N 3.04Å
281L95.4Very high94.2Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-61.1-50.4176.2-173.6150.8000111.3R23 F25 L147 M277 L278 D279 E283 A285R23-L281 HydrophobicContact CB-CD2 4.32Å; F25-L281 HydrophobicContact CB-CD1 4.47Å; F25-L281 HydrophobicContact CD1-CD1 3.98Å; F25-L281 HydrophobicContact CD1-CD2 4.12Å; F25-L281 HydrophobicContact CD2-CD1 3.67Å; F25-L281 HydrophobicContact CE1-CD1 4.06Å; F25-L281 HydrophobicContact CE1-CD2 4.35Å; F25-L281 HydrophobicContact CE2-CD1 3.72Å; F25-L281 HydrophobicContact CG-CD1 3.78Å; F25-L281 HydrophobicContact CZ-CD1 3.91Å; L147-L281 HydrophobicContact CD2-CB 4.07Å; M277-L281 WeakPolarHBondContact O-CB 3.03Å; M277-L281 PolarHBondContact O-N 3.27Å; M277-L281 HydrophobicContact SD-CD1 4.27Å; L278-L281 WeakPolarHBondContact O-CB 3.49Å; L278-L281 PolarHBondContact O-N 2.94Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.31Å; L281-E283 VanDerWaalsContact C-N 3.33Å; L281-E283 PolarHBondContact O-N 2.66Å; L281-A285 HydrophobicContact CG-CB 4.39Å; L281-A285 WeakPolarHBondContact O-CB 3.24Å; L281-A285 PolarHBondContact O-N 3.19Å
282V94.4Very high94.4Very high10 Ų1026 Ų266%0.06114%0.138CC..Hα-helixtrans-70.8-31-177.3-63.30000113.1R23 Y88 C91 V93 L278 D279R23-V282 PolarHBondContact NE-O 3.16Å; R23-V282 VanDerWaalsContact NE-O 3.13Å; Y88-V282 HydrophobicContact CD1-CG1 3.77Å; Y88-V282 HydrophobicContact CD1-CG2 3.98Å; Y88-V282 HydrophobicContact CE1-CG2 4.2Å; C91-V282 HydrophobicContact CB-CB 4.14Å; C91-V282 HydrophobicContact CB-CG1 4.08Å; V93-V282 HydrophobicContact CG2-CG1 3.81Å; L278-V282 WeakPolarHBondContact O-CG2 3.07Å; L278-V282 PolarHBondContact O-N 3.23Å; D279-V282 WeakPolarHBondContact O-CG2 3.48Å; D279-V282 PolarHBondContact O-N 3.19Å
283E94.1Very high94.3Very high97 Ų9725.9 Ų25.945%0.45314%0.138SC..Hα-helixtrans-73.5-44.7178.9-167.6-174.2144.100112.3K252 D279 L281K252-E283 PolarHBondContact NZ-O 3.18Å; K252-E283 VanDerWaalsContact NZ-O 3.16Å; D279-E283 WeakPolarHBondContact O-CB 3.32Å; D279-E283 PolarHBondContact O-N 2.67Å; L281-E283 VanDerWaalsContact C-N 3.33Å; L281-E283 PolarHBondContact O-N 2.66Å
284W94.9Very high94.2Very high25 Ų2530.4 Ų30.410%0.09516%0.162CC..Hα-helixtrans-104.4-33.4-168.4-51.9-34.9000114.5I178 F250 F255 P262 F264 G280I178-W284 HydrophobicContact CD1-CH2 3.81Å; I178-W284 HydrophobicContact CD1-CZ3 4.05Å; I178-W284 HydrophobicContact CG1-CH2 3.91Å; I178-W284 HydrophobicContact CG1-CZ3 3.91Å; I178-W284 HydrophobicContact CG2-CH2 3.93Å; F250-W284 HydrophobicContact CD1-CZ2 4.44Å; F250-W284 AromaticContact CE1-CD1 3.98Å; F250-W284 AromaticContact CE1-CD2 3.63Å; F250-W284 HydrophobicContact CE1-CD2 3.63Å; F250-W284 AromaticContact CE1-CE2 3.6Å; F250-W284 HydrophobicContact CE1-CE3 4.11Å; F250-W284 AromaticContact CE1-CG 3.9Å; F250-W284 HydrophobicContact CE1-CG 3.9Å; F250-W284 HydrophobicContact CE1-CH2 4.49Å; F250-W284 HydrophobicContact CE1-CZ2 4.08Å; F250-W284 HydrophobicContact CE1-CZ3 4.5Å; F250-W284 AromaticContact CE1-NE1 3.83Å; F250-W284 HydrophobicContact CE2-CD2 4.31Å; F250-W284 HydrophobicContact CE2-CE3 4.07Å; F250-W284 HydrophobicContact CE2-CZ3 4.44Å; F250-W284 HydrophobicContact CZ-CB 4.08Å; F250-W284 AromaticContact CZ-CD2 3.42Å; F250-W284 HydrophobicContact CZ-CD2 3.42Å; F250-W284 VanDerWaalsContact CZ-CD2 3.42Å; F250-W284 AromaticContact CZ-CE2 3.93Å; F250-W284 AromaticContact CZ-CE3 3.63Å; F250-W284 HydrophobicContact CZ-CE3 3.63Å; F250-W284 AromaticContact CZ-CG 3.61Å; F250-W284 HydrophobicContact CZ-CG 3.61Å; F250-W284 HydrophobicContact CZ-CZ3 4.25Å; F255-W284 HydrophobicContact CD1-CB 4.18Å; F255-W284 HydrophobicContact CE1-CB 3.89Å; F255-W284 WeakPolarHBondContact CE1-O 3.39Å; P262-W284 HydrophobicContact CB-CE3 4.24Å; P262-W284 HydrophobicContact CB-CZ3 3.84Å; P262-W284 HydrophobicContact CG-CE3 4.17Å; P262-W284 HydrophobicContact CG-CZ3 4.23Å; F264-W284 AromaticContact CE2-CZ3 3.98Å; F264-W284 HydrophobicContact CE2-CZ3 3.98Å; F264-W284 HydrophobicContact CZ-CH2 4Å; F264-W284 AromaticContact CZ-CZ3 3.55Å; F264-W284 HydrophobicContact CZ-CZ3 3.55Å; G280-W284 WeakPolarHBondContact O-CB 3.29Å; G280-W284 PolarHBondContact O-N 3.04Å
285A95.1Very high94.2Very high5 Ų534.7 Ų34.74%0.04119%0.188CC..SBendtrans-59.6144.3-178.800000110.4R23 C117 L281R23-A285 VanDerWaalsContact CD-O 3.26Å; R23-A285 WeakPolarHBondContact CD-O 3.15Å; R23-A285 PolarHBondContact NE-O 2.77Å; C117-A285 HydrophobicContact CB-CB 3.95Å; L281-A285 HydrophobicContact CG-CB 4.39Å; L281-A285 WeakPolarHBondContact O-CB 3.24Å; L281-A285 PolarHBondContact O-N 3.19Å
286P94.9Very high94.4Very high17 Ų1736.4 Ų36.411%0.1119%0.193CC..PPolyproline II helixtrans-67.2152.2-175.427.8-35.3000111.5R23 D116 P145 L256 M289R23-P286 WeakPolarHBondContact CD-O 3.42Å; D116-P286 HydrophobicContact CB-CG 4.02Å; D116-P286 WeakPolarHBondContact O-CG 3.29Å; P145-P286 HydrophobicContact CG-CG 4.28Å; L256-P286 HydrophobicContact CD2-CB 3.89Å; L256-P286 HydrophobicContact CD2-CG 4.11Å; P286-M289 HydrophobicContact CB-CG 3.82Å; P286-M289 HydrophobicContact CB-SD 3.95Å; P286-M289 HydrophobicContact CG-CE 4.18Å; P286-M289 HydrophobicContact CG-CG 4.03Å; P286-M289 HydrophobicContact CG-SD 3.77Å
287A94.9Very high94.4Very high34 Ų3438.4 Ų38.428%0.28121%0.205SC..SBendtrans-64.1171.4157.600000109.5M289A287-M289 PolarHBondContact O-N 3.34Å
288P95.6Very high94.5Very high11 Ų1138.4 Ų38.47%0.07121%0.205CC..SBendtrans-47116.9178.7-3037.1000112.7V19 R22 A300 P370V19-P288 HydrophobicContact CG1-CB 4.42Å; V19-P288 HydrophobicContact CG1-CG 4.12Å; V19-P288 VanDerWaalsContact O-CD 3.24Å; V19-P288 WeakPolarHBondContact O-CD 3.28Å; R22-P288 HydrophobicContact CB-CG 4.13Å; P288-A300 HydrophobicContact CB-CB 3.88Å; P288-P370 HydrophobicContact CB-CB 3.99Å; P288-P370 VanDerWaalsContact CG-C 3.42Å; P288-P370 HydrophobicContact CG-CB 4.13Å; P288-P370 VanDerWaalsContact CG-O 3.26Å; P288-P370 WeakPolarHBondContact CG-O 3.31Å
289M92.4Very high94.6Very high50 Ų5042.3 Ų42.325%0.24622%0.224CC..PPolyproline II helixtrans-85.6155.3-176-67.7-166-63.600111.7D116 P286 A287D116-M289 HydrophobicContact CB-CE 4.16Å; D116-M289 HydrophobicContact CB-CG 4.41Å; D116-M289 WeakPolarHBondContact O-CE 3.28Å; D116-M289 PolarHBondContact OD1-N 2.68Å; P286-M289 HydrophobicContact CB-CG 3.82Å; P286-M289 HydrophobicContact CB-SD 3.95Å; P286-M289 HydrophobicContact CG-CE 4.18Å; P286-M289 HydrophobicContact CG-CG 4.03Å; P286-M289 HydrophobicContact CG-SD 3.77Å; A287-M289 PolarHBondContact O-N 3.34Å
290P93.1Very high94.6Very high60 Ų6040.8 Ų40.839%0.3922%0.216SC..PPolyproline II helixtrans-55.9147.6174.31.4-6.4000112.7T297 V298 E299P290-T297 HydrophobicContact CB-CG2 3.58Å; P290-V298 VanDerWaalsContact CA-O 3.29Å; P290-V298 WeakPolarHBondContact CA-O 3.38Å; P290-E299 WeakPolarHBondContact CB-OE1 2.92Å; P290-E299 WeakPolarHBondContact CB-OE2 3.49Å; P290-E299 WeakPolarHBondContact CG-OE1 3.36Å; P290-E299 VanDerWaalsContact CG-OE2 3.3Å; P290-E299 WeakPolarHBondContact CG-OE2 3.31Å
291R93.7Very high94.6Very high33 Ų3344 Ų4413%0.12524%0.238CC..EExtended strand (participates in β ladder)trans-123.8137.7-179.9-61.1-64.7175.2166.8-1.7111T113 V115 D116 V298 V330 F396T113-R291 PolarHBondContact O-NH1 2.76Å; V115-R291 VanDerWaalsContact C-NH2 3.34Å; V115-R291 PolarHBondContact O-NH2 3.11Å; D116-R291 IonicContact OD1-CZ 3.98Å; D116-R291 IonicContact OD1-NH2 3.56Å; D116-R291 PolarHBondContact OD1-NH2 3.04Å; R291-V298 PolarHBondContact N-O 3.36Å; R291-V298 PolarHBondContact O-N 3.48Å; R291-V330 HydrophobicContact CB-CG1 3.91Å; R291-V330 HydrophobicContact CG-CG1 3.81Å; R291-V330 HydrophobicContact CG-CG2 4.07Å; R291-F396 HydrophobicContact CB-CD1 3.77Å; R291-F396 HydrophobicContact CB-CE1 3.62Å
292Q92.4Very high94.6Very high107 Ų10746.2 Ų46.250%0.525%0.248SC..EExtended strand (participates in β ladder)trans-80.6142.4178.5-61.8-57.7-22.400111.3T297 T397Q292-T297 PolarHBondContact NE2-OG1 3.21Å; Q292-T297 PolarHBondContact OE1-OG1 3.06Å; Q292-T397 PolarHBondContact O-N 3.08Å; Q292-T397 PolarHBondContact O-OG1 2.9Å
293T94.1Very high94.6Very high13 Ų1352.3 Ų52.38%0.0828%0.281CS..BIsolated β-bridgetrans-120.2176.2168.873.30000109.5T295 R296 V298 M394 K395 F396T293-T295 PolarHBondContact O-N 3.35Å; T293-T295 PolarHBondContact OG1-N 3.43Å; T293-T295 PolarHBondContact OG1-OG1 2.98Å; T293-R296 WeakPolarHBondContact CB-O 3.46Å; T293-R296 PolarHBondContact N-O 2.69Å; T293-R296 PolarHBondContact OG1-N 3.32Å; T293-R296 PolarHBondContact OG1-O 3.47Å; T293-V298 HydrophobicContact CG2-CG2 3.69Å; T293-M394 HydrophobicContact CG2-CG 4.32Å; T293-M394 HydrophobicContact CG2-SD 3.97Å; T293-K395 CarbonylContact C-O 3.55Å; T293-K395 WeakPolarHBondContact CA-O 3.43Å; T293-K395 WeakPolarHBondContact CB-O 3.25Å; T293-F396 HydrophobicContact CG2-CD1 3.63Å; T293-F396 HydrophobicContact CG2-CE1 3.66Å; T293-F396 HydrophobicContact CG2-CG 4.16Å; T293-F396 HydrophobicContact CG2-CZ 4.25Å
294D92.6Very high94.8Very high96 Ų9653.6 Ų53.651%0.51329%0.285SS..SBendtrans-64-16.3171.361.9-21.1000114.2K395 T397D294-K395 PolarHBondContact N-O 2.61Å; D294-K395 PolarHBondContact OD1-N 2.68Å; D294-T397 HydrophobicContact CB-CG2 4.25Å
295T93.9Very high94.9Very high90 Ų9052.4 Ų52.455%0.55228%0.28SS*.SBendtrans-118.2-38.2-174.853.70000113.9T293 M394T293-T295 PolarHBondContact O-N 3.35Å; T293-T295 PolarHBondContact OG1-N 3.43Å; T293-T295 PolarHBondContact OG1-OG1 2.98Å; T295-M394 VanDerWaalsContact OG1-CB 3.31Å; T295-M394 WeakPolarHBondContact OG1-CB 3.45Å
296R94.9Very high95Very high69 Ų6952.2 Ų52.226%0.2628%0.278SS..  trans-159.8171.2-17765.2175.6-17493.7-9.1112.9T293 E302 E392 M394T293-R296 WeakPolarHBondContact CB-O 3.46Å; T293-R296 PolarHBondContact N-O 2.69Å; T293-R296 PolarHBondContact OG1-N 3.32Å; T293-R296 PolarHBondContact OG1-O 3.47Å; R296-E302 IonicContact CZ-OE1 3.49Å; R296-E302 IonicContact CZ-OE2 2.71Å; R296-E302 IonicContact NH1-OE1 3.84Å; R296-E302 PolarHBondContact NH1-OE1 3.22Å; R296-E302 IonicContact NH1-OE2 2.78Å; R296-E302 PolarHBondContact NH1-OE2 2.59Å; R296-E302 VanDerWaalsContact NH1-OE2 3.17Å; R296-E302 IonicContact NH2-OE1 2.7Å; R296-E302 IonicContact NH2-OE2 3.67Å; R296-E302 PolarHBondContact NH2-OE2 2.95Å; R296-E392 IonicContact CZ-OE1 3.85Å; R296-E392 IonicContact CZ-OE2 3.97Å; R296-E392 IonicContact NE-OE1 3.42Å; R296-E392 PolarHBondContact NE-OE1 3.01Å; R296-E392 IonicContact NE-OE2 3.04Å; R296-E392 IonicContact NH2-OE1 3.72Å; R296-E392 PolarHBondContact NH2-OE1 2.69Å; R296-E392 IonicContact NH2-OE2 3.48Å; R296-E392 PolarHBondContact NH2-OE2 3.16Å; R296-M394 HydrophobicContact CG-SD 4.46Å
297T95.9Very high95.2Very high51 Ų5151.4 Ų51.431%0.31327%0.273SS..EExtended strand (participates in β ladder)trans-79.6141.8163.5-47.20000110P290 Q292P290-T297 HydrophobicContact CB-CG2 3.58Å; Q292-T297 PolarHBondContact NE2-OG1 3.21Å; Q292-T297 PolarHBondContact OE1-OG1 3.06Å
298V97Very high95.3Very high0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-111.3126.9173.5-177.80000109.1P290 R291 T293 E302 T306 V330 M394 F396P290-V298 VanDerWaalsContact CA-O 3.29Å; P290-V298 WeakPolarHBondContact CA-O 3.38Å; R291-V298 PolarHBondContact N-O 3.36Å; R291-V298 PolarHBondContact O-N 3.48Å; T293-V298 HydrophobicContact CG2-CG2 3.69Å; V298-E302 WeakPolarHBondContact CA-OE1 3.31Å; V298-T306 HydrophobicContact CG1-CG2 4.31Å; V298-T306 WeakPolarHBondContact CG1-OG1 3.39Å; V298-V330 HydrophobicContact CB-CG1 4.16Å; V298-V330 HydrophobicContact CG1-CG1 3.88Å; V298-M394 HydrophobicContact CG2-CE 3.56Å; V298-M394 HydrophobicContact CG2-SD 3.73Å; V298-F396 HydrophobicContact CB-CE1 4.05Å; V298-F396 HydrophobicContact CB-CZ 4.21Å; V298-F396 HydrophobicContact CG1-CZ 4.41Å; V298-F396 HydrophobicContact CG2-CE1 3.97Å; V298-F396 HydrophobicContact CG2-CZ 4.03Å
299E96.5Very high95.2Very high81 Ų8149.5 Ų49.538%0.37926%0.257SS..  trans-98.5143.2-179.4-66.6-67.5164.900111.3P290 S301 E302 S331P290-E299 WeakPolarHBondContact CB-OE1 2.92Å; P290-E299 WeakPolarHBondContact CB-OE2 3.49Å; P290-E299 WeakPolarHBondContact CG-OE1 3.36Å; P290-E299 VanDerWaalsContact CG-OE2 3.3Å; P290-E299 WeakPolarHBondContact CG-OE2 3.31Å; E299-S301 PolarHBondContact O-N 2.95Å; E299-S301 VanDerWaalsContact O-N 3.16Å; E299-E302 HydrophobicContact CB-CG 4.24Å; E299-E302 PolarHBondContact N-OE1 3.2Å; E299-E302 WeakPolarHBondContact O-CB 3.5Å; E299-E302 WeakPolarHBondContact O-CG 3.18Å; E299-E302 PolarHBondContact O-N 3.49Å; E299-E302 VanDerWaalsContact O-N 3.13Å; E299-S331 VanDerWaalsContact O-CB 3.3Å; E299-S331 WeakPolarHBondContact O-CB 3.39Å
300A96.3Very high95.2Very high5 Ų547.1 Ų47.14%0.04125%0.246CC..THydrogen-bonded Turntrans-65.3-18.917800000113.5Y15 V19 P288 E302 V330 P370Y15-A300 PolarHBondContact OH-O 2.52Å; V19-A300 HydrophobicContact CG1-CB 3.87Å; P288-A300 HydrophobicContact CB-CB 3.88Å; A300-E302 VanDerWaalsContact C-N 3.27Å; A300-E302 PolarHBondContact O-N 2.82Å; A300-V330 VanDerWaalsContact CA-O 3.28Å; A300-V330 WeakPolarHBondContact CA-O 3.36Å; A300-P370 HydrophobicContact CB-CB 3.83Å; A300-P370 HydrophobicContact CB-CG 4.29Å
301S94.8Very high95Very high69 Ų6944.5 Ų44.548%0.48323%0.228SC..THydrogen-bonded Turntrans-76.9-8.7176.856.70000114.1E299E299-S301 PolarHBondContact O-N 2.95Å; E299-S301 VanDerWaalsContact O-N 3.16Å
302E95.6Very high94.7Very high47 Ų4743 Ų4322%0.2222%0.223CC..  trans-71.1141.7179.7-65.3176.6-139.600112.4Y15 R296 V298 E299 A300 G332Y15-E302 PolarHBondContact OH-O 3.21Å; Y15-E302 VanDerWaalsContact OH-O 3.08Å; R296-E302 IonicContact CZ-OE1 3.49Å; R296-E302 IonicContact CZ-OE2 2.71Å; R296-E302 IonicContact NH1-OE1 3.84Å; R296-E302 PolarHBondContact NH1-OE1 3.22Å; R296-E302 IonicContact NH1-OE2 2.78Å; R296-E302 PolarHBondContact NH1-OE2 2.59Å; R296-E302 VanDerWaalsContact NH1-OE2 3.17Å; R296-E302 IonicContact NH2-OE1 2.7Å; R296-E302 IonicContact NH2-OE2 3.67Å; R296-E302 PolarHBondContact NH2-OE2 2.95Å; V298-E302 WeakPolarHBondContact CA-OE1 3.31Å; E299-E302 HydrophobicContact CB-CG 4.24Å; E299-E302 PolarHBondContact N-OE1 3.2Å; E299-E302 WeakPolarHBondContact O-CB 3.5Å; E299-E302 WeakPolarHBondContact O-CG 3.18Å; E299-E302 PolarHBondContact O-N 3.49Å; E299-E302 VanDerWaalsContact O-N 3.13Å; A300-E302 VanDerWaalsContact C-N 3.27Å; A300-E302 PolarHBondContact O-N 2.82Å; E302-G332 WeakPolarHBondContact O-CA 3.48Å; E302-G332 PolarHBondContact O-N 3.18Å
303D94.5Very high94.3Very high139 Ų13938.8 Ų38.874%0.74320%0.203SC*.SBendtrans-73.1-28.8-178.5-61.4-40.9000113.4G332D303-G332 VanDerWaalsContact O-CA 3.27Å; D303-G332 WeakPolarHBondContact O-CA 3.31Å
304K96.7Very high93.5Very high123 Ų12338.4 Ų38.454%0.53520%0.201SC..SBendtrans-80.1134-174.8-73.1-174.3-178.9176.70111T306 S331 G332 Q390K304-T306 PolarHBondContact O-N 3.45Å; K304-S331 CarbonylContact O-C 3.57Å; K304-S331 PolarHBondContact O-OG 3.22Å; K304-G332 PolarHBondContact O-N 3.44Å; K304-Q390 VanDerWaalsContact CA-OE1 3.22Å
305F98Very high92.4Very high0 Ų034.8 Ų34.80%018%0.182CC..  trans-65.7129.7179.2-178.4-82.3000111.6M327 V329 S331 M338 L340 F388 T389 Q390F305-M327 HydrophobicContact CE1-CE 4.12Å; F305-M327 HydrophobicContact CE1-SD 4.31Å; F305-M327 HydrophobicContact CZ-CE 3.58Å; F305-M327 HydrophobicContact CZ-SD 4.24Å; F305-V329 HydrophobicContact CD2-CG1 4.22Å; F305-V329 HydrophobicContact CE2-CB 4.35Å; F305-V329 HydrophobicContact CE2-CG1 3.65Å; F305-V329 HydrophobicContact CE2-CG2 3.89Å; F305-V329 HydrophobicContact CZ-CG1 4.34Å; F305-V329 HydrophobicContact CZ-CG2 4.16Å; F305-S331 VanDerWaalsContact CA-O 3.25Å; F305-S331 WeakPolarHBondContact CA-O 3.34Å; F305-M338 HydrophobicContact CB-CE 3.63Å; F305-M338 HydrophobicContact CB-SD 4.44Å; F305-M338 HydrophobicContact CD2-CE 4.4Å; F305-M338 HydrophobicContact CD2-SD 4.15Å; F305-M338 HydrophobicContact CG-CE 3.95Å; F305-M338 HydrophobicContact CG-SD 4.12Å; F305-L340 HydrophobicContact CB-CD2 4.14Å; F305-L340 HydrophobicContact CD1-CD1 3.63Å; F305-L340 HydrophobicContact CD1-CD2 3.37Å; F305-L340 HydrophobicContact CD1-CG 4.16Å; F305-L340 HydrophobicContact CE1-CD1 3.4Å; F305-L340 HydrophobicContact CE1-CD2 4.07Å; F305-L340 HydrophobicContact CE1-CG 4.39Å; F305-L340 HydrophobicContact CG-CD1 4.5Å; F305-L340 HydrophobicContact CG-CD2 3.95Å; F305-L340 HydrophobicContact CZ-CD1 4.11Å; F305-F388 HydrophobicContact CE1-CB 4.36Å; F305-T389 CarbonylContact O-C 3.58Å; F305-T389 WeakPolarHBondContact O-CA 3.4Å; F305-Q390 HydrophobicContact CB-CG 3.96Å; F305-Q390 PolarHBondContact O-N 2.68Å
306T98.2Very high91Very high1 Ų132.3 Ų32.31%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-141147.6167.872.10000110.5V298 K304 V330 S331 F388 T389 M394V298-T306 HydrophobicContact CG1-CG2 4.31Å; V298-T306 WeakPolarHBondContact CG1-OG1 3.39Å; K304-T306 PolarHBondContact O-N 3.45Å; T306-V330 PolarHBondContact O-N 3.34Å; T306-S331 WeakPolarHBondContact CB-OG 3.47Å; T306-S331 VanDerWaalsContact CG2-OG 3.25Å; T306-S331 WeakPolarHBondContact CG2-OG 3.49Å; T306-S331 PolarHBondContact N-O 2.87Å; T306-S331 PolarHBondContact N-OG 3.11Å; T306-S331 PolarHBondContact O-N 3.32Å; T306-S331 PolarHBondContact OG1-N 2.86Å; T306-S331 PolarHBondContact OG1-OG 2.81Å; T306-F388 CarbonylContact C-O 3.58Å; T306-F388 VanDerWaalsContact CA-O 3.29Å; T306-F388 WeakPolarHBondContact CA-O 3.26Å; T306-T389 HydrophobicContact CG2-CG2 4.32Å; T306-M394 HydrophobicContact CG2-CE 3.27Å
307G97.5Very high89.4Confident0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-166164.5173.900000112.4R328 T387 F388G307-R328 CarbonylContact C-O 3.58Å; G307-R328 WeakPolarHBondContact CA-O 3.35Å; G307-T387 WeakPolarHBondContact O-CA 3.3Å; G307-F388 PolarHBondContact N-O 2.93Å; G307-F388 PolarHBondContact O-N 3.29Å
308F96.5Very high87.6Confident5 Ų533.3 Ų33.32%0.02218%0.178CC..EExtended strand (participates in β ladder)trans-134.2148.1178.464.9-88.1000112.3F310 M327 R328 V330 D386 F396 I399F308-F310 HydrophobicContact CD2-CB 4.18Å; F308-F310 HydrophobicContact CE2-CB 3.89Å; F308-M327 CarbonylContact O-C 3.59Å; F308-M327 VanDerWaalsContact O-CA 3.24Å; F308-M327 WeakPolarHBondContact O-CA 3.12Å; F308-M327 WeakPolarHBondContact O-CG 3.34Å; F308-R328 HydrophobicContact CD1-CB 4.31Å; F308-R328 HydrophobicContact CE1-CB 3.87Å; F308-R328 HydrophobicContact CE1-CG 3.77Å; F308-R328 HydrophobicContact CE2-CB 4.26Å; F308-R328 HydrophobicContact CZ-CB 3.85Å; F308-R328 HydrophobicContact CZ-CG 3.95Å; F308-R328 PolarHBondContact N-O 3.48Å; F308-R328 VanDerWaalsContact N-O 3.09Å; F308-R328 PolarHBondContact O-N 3.16Å; F308-V330 HydrophobicContact CD1-CG2 3.68Å; F308-V330 HydrophobicContact CE1-CG2 3.66Å; F308-D386 CarbonylContact C-O 3.56Å; F308-D386 VanDerWaalsContact CA-O 3.31Å; F308-D386 WeakPolarHBondContact CA-O 3.44Å; F308-F396 HydrophobicContact CB-CB 4Å; F308-F396 HydrophobicContact CB-CD2 3.69Å; F308-F396 HydrophobicContact CB-CG 4.09Å; F308-F396 HydrophobicContact CD1-CB 4.11Å; F308-F396 HydrophobicContact CD1-CD1 4.27Å; F308-F396 AromaticContact CD1-CD2 3.89Å; F308-F396 HydrophobicContact CD1-CD2 3.89Å; F308-F396 HydrophobicContact CD1-CE2 4.37Å; F308-F396 AromaticContact CD1-CG 3.81Å; F308-F396 HydrophobicContact CD1-CG 3.81Å; F308-F396 HydrophobicContact CG-CB 4.15Å; F308-F396 HydrophobicContact CG-CD2 4.22Å; F308-F396 HydrophobicContact CG-CG 4.24Å; F308-I399 HydrophobicContact CB-CD1 4.32Å; F308-I399 HydrophobicContact CD2-CD1 3.53Å; F308-I399 HydrophobicContact CD2-CG1 4.32Å; F308-I399 HydrophobicContact CE2-CD1 4.15Å; F308-I399 HydrophobicContact CE2-CG1 4.47Å; F308-I399 HydrophobicContact CG-CD1 4.17Å
309V94.9Very high85.5Confident0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-87.2116176.9176.90000109.5I312 A325 F326 M327 I382 G385 D386 F388V309-I312 HydrophobicContact CG1-CG1 4.1Å; V309-A325 HydrophobicContact CG1-CB 3.9Å; V309-A325 HydrophobicContact CG2-CB 4.29Å; V309-F326 WeakPolarHBondContact CA-O 3.19Å; V309-M327 HydrophobicContact CG2-CB 4.22Å; V309-M327 HydrophobicContact CG2-CG 4.48Å; V309-I382 HydrophobicContact CB-CG2 4.34Å; V309-I382 HydrophobicContact CG1-CG2 4.21Å; V309-I382 HydrophobicContact CG2-CG2 3.69Å; V309-G385 PolarHBondContact O-N 3.39Å; V309-D386 HydrophobicContact CB-CB 4.47Å; V309-D386 HydrophobicContact CG2-CB 4.38Å; V309-D386 PolarHBondContact N-O 2.92Å; V309-F388 HydrophobicContact CG2-CD2 4.31Å; V309-F388 HydrophobicContact CG2-CE2 3.83Å
310F91.7Very high83.6Confident0 Ų043.9 Ų43.90%022%0.224CC..EExtended strand (participates in β ladder)trans-101.3-19.717969-86.3000112.8V83 L96 A114 F308 F326 R328 I373V83-F310 HydrophobicContact CG2-CZ 4.35Å; L96-F310 HydrophobicContact CD2-CE1 4.49Å; L96-F310 HydrophobicContact CD2-CE2 3.82Å; L96-F310 HydrophobicContact CD2-CZ 3.65Å; A114-F310 HydrophobicContact CB-CB 4.23Å; A114-F310 HydrophobicContact CB-CD1 3.53Å; A114-F310 HydrophobicContact CB-CD2 3.95Å; A114-F310 HydrophobicContact CB-CE1 3.76Å; A114-F310 HydrophobicContact CB-CE2 4.16Å; A114-F310 HydrophobicContact CB-CG 3.63Å; A114-F310 HydrophobicContact CB-CZ 4.06Å; F308-F310 HydrophobicContact CD2-CB 4.18Å; F308-F310 HydrophobicContact CE2-CB 3.89Å; F310-F326 HydrophobicContact CD1-CB 4.35Å; F310-F326 VanDerWaalsContact CD1-O 3.29Å; F310-F326 WeakPolarHBondContact CD1-O 3.36Å; F310-F326 HydrophobicContact CE1-CB 3.67Å; F310-F326 HydrophobicContact CE2-CB 4.38Å; F310-F326 HydrophobicContact CZ-CB 3.69Å; F310-F326 PolarHBondContact N-O 2.7Å; F310-F326 VanDerWaalsContact N-O 3.07Å; F310-R328 HydrophobicContact CD1-CB 4.34Å; F310-I373 HydrophobicContact CE1-CD1 4.01Å; F310-I373 HydrophobicContact CE1-CG2 3.85Å; F310-I373 HydrophobicContact CZ-CD1 4.47Å; F310-I373 HydrophobicContact CZ-CG2 4.04Å
311K88.8Confident81.8Confident6 Ų649 Ų493%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-148.3148.7-177.1175.9171.3-177.6153.80111.7T81 D107 A325 F326T81-K311 PolarHBondContact O-NZ 2.77Å; T81-K311 VanDerWaalsContact O-NZ 3.15Å; T81-K311 PolarHBondContact OG1-NZ 3.4Å; D107-K311 WeakPolarHBondContact OD1-CD 3.42Å; D107-K311 IonicContact OD1-NZ 2.82Å; D107-K311 PolarHBondContact OD1-NZ 2.95Å; D107-K311 IonicContact OD2-NZ 3.83Å; D107-K311 PolarHBondContact OD2-NZ 3.33Å; K311-A325 CarbonylContact O-C 3.24Å; K311-F326 HydrophobicContact CB-CB 4.2Å; K311-F326 HydrophobicContact CB-CD2 4.26Å; K311-F326 HydrophobicContact CD-CD2 4.38Å; K311-F326 HydrophobicContact CG-CD2 4.04Å; K311-F326 PolarHBondContact O-N 2.78Å
312I88.2Confident80.7Confident2 Ų247.9 Ų47.91%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-125.9140.5167.3-63.1171.5000107.9V309 V324 A325 I382 I384 E431V309-I312 HydrophobicContact CG1-CG1 4.1Å; I312-V324 WeakPolarHBondContact CA-O 3.31Å; I312-A325 HydrophobicContact CG1-CB 4.09Å; I312-I382 VanDerWaalsContact CD1-O 3.24Å; I312-I382 WeakPolarHBondContact CD1-O 3.49Å; I312-I384 HydrophobicContact CB-CG1 4.44Å; I312-I384 HydrophobicContact CD1-CG1 3.98Å; I312-I384 HydrophobicContact CG1-CG1 3.92Å; I312-E431 HydrophobicContact CG2-CG 4.41Å; I312-E431 WeakPolarHBondContact O-CA 3.2Å; I312-E431 WeakPolarHBondContact O-CB 3.12Å; I312-E431 WeakPolarHBondContact O-CG 3.32Å
313Q83.6Confident80.1Confident18 Ų1847.5 Ų47.58%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-133.3127.5173.4-167.6174.1-900109.7M316 R323 V324 F326Q313-M316 HydrophobicContact CB-CG 4.09Å; Q313-M316 HydrophobicContact CB-SD 4.14Å; Q313-M316 HydrophobicContact CG-CG 3.69Å; Q313-M316 HydrophobicContact CG-SD 4.23Å; Q313-R323 CarbonylContact O-C 3.48Å; Q313-R323 WeakPolarHBondContact O-CA 3.42Å; Q313-V324 PolarHBondContact N-O 3.07Å; Q313-V324 PolarHBondContact O-N 2.89Å; Q313-F326 HydrophobicContact CB-CE2 3.84Å
314A77.6Confident79.7Confident4 Ų440.9 Ų40.93%0.03319%0.193CC..EExtended strand (participates in β ladder)trans-99.5165.2175.200000111.8M316 D322 R323 E431 R461A314-M316 PolarHBondContact O-N 3.15Å; A314-M316 VanDerWaalsContact O-N 3.09Å; A314-D322 CarbonylContact C-O 3.48Å; A314-R323 HydrophobicContact CB-CG 3.48Å; A314-R323 VanDerWaalsContact CB-CG 3.48Å; A314-E431 WeakPolarHBondContact CA-OE1 3.42Å; A314-E431 HydrophobicContact CB-CG 4.3Å; A314-E431 WeakPolarHBondContact CB-OE1 3.42Å; A314-E431 PolarHBondContact N-OE1 3.14Å; A314-E431 PolarHBondContact N-OE2 2.82Å; A314-R461 PolarHBondContact O-NH2 3.24Å
315N68.3Low79.5Confident20 Ų2035 Ų3511%0.10717%0.167CC..  trans54.132.5173.7-62.6-35.6000113.4D317 R321 D322 E465 Y466N315-D317 PolarHBondContact O-N 3.47Å; N315-R321 WeakPolarHBondContact OD1-CA 3.46Å; N315-R321 VanDerWaalsContact OD1-CB 3.28Å; N315-R321 WeakPolarHBondContact OD1-CB 3.4Å; N315-D322 PolarHBondContact N-O 3.49Å; N315-E465 HydrophobicContact CB-CG 4.14Å; N315-E465 WeakPolarHBondContact CB-OE2 3.39Å; N315-E465 WeakPolarHBondContact ND2-CB 3.34Å; N315-E465 PolarHBondContact ND2-OE2 2.84Å; N315-Y466 VanDerWaalsContact ND2-CZ 3.29Å; N315-Y466 PolarHBondContact ND2-OH 2.92Å
316M64.7Low79.3Confident39 Ų3935.1 Ų35.119%0.19217%0.168CC..SBendtrans-67.7-20.2172.5-84.2-160.610200112.5Q313 A314 D322 V324 F326 F357 R362Q313-M316 HydrophobicContact CB-CG 4.09Å; Q313-M316 HydrophobicContact CB-SD 4.14Å; Q313-M316 HydrophobicContact CG-CG 3.69Å; Q313-M316 HydrophobicContact CG-SD 4.23Å; A314-M316 PolarHBondContact O-N 3.15Å; A314-M316 VanDerWaalsContact O-N 3.09Å; M316-D322 PolarHBondContact N-O 3.09Å; M316-V324 HydrophobicContact SD-CB 4.04Å; M316-V324 HydrophobicContact SD-CG2 3.95Å; M316-F326 HydrophobicContact CE-CZ 4.09Å; M316-F326 HydrophobicContact SD-CE2 4.33Å; M316-F326 HydrophobicContact SD-CZ 4.04Å; M316-F357 HydrophobicContact CE-CE1 4.4Å; M316-R362 PolarHBondContact O-NH1 3.44Å; M316-R362 PolarHBondContact O-NH2 3.42Å
317D62.8Low79.2Confident49 Ų4935.1 Ų35.126%0.26217%0.167SC..SBendtrans-126117.4163.9-174.8-26000108.8N315 K319 H320 R321N315-D317 PolarHBondContact O-N 3.47Å; D317-K319 PolarHBondContact O-N 3.43Å; D317-K319 WeakPolarHBondContact OD1-CB 3.32Å; D317-K319 PolarHBondContact OD1-N 2.99Å; D317-H320 IonicContact OD2-CD2 2.76Å; D317-H320 PolarHBondContact OD2-CD2 3.48Å; D317-R321 WeakPolarHBondContact O-CA 3.48Å; D317-R321 PolarHBondContact O-N 2.83Å
318P57.2Low79.1Confident91 Ų9135.2 Ų35.259%0.59117%0.168SC*.THydrogen-bonded Turntrans-59.2-31.1178.6-22.832.3000114.3
319K53.8Low79.2Confident174 Ų17435 Ų3576%0.75717%0.167SC*.THydrogen-bonded Turntrans-75.8-41.1-175-68.2-179.3178.6174.60112D317D317-K319 PolarHBondContact O-N 3.43Å; D317-K319 WeakPolarHBondContact OD1-CB 3.32Å; D317-K319 PolarHBondContact OD1-N 2.99Å
320H55.9Low79.3Confident130 Ų13035.1 Ų35.160%0.60217%0.167SC*.THydrogen-bonded Turntrans-98.6-13.9-176.7-65.8-67.1000113.1D317 D322D317-H320 IonicContact OD2-CD2 2.76Å; D317-H320 PolarHBondContact OD2-CD2 3.48Å; H320-D322 HydrophobicContact CB-CB 4.49Å; H320-D322 VanDerWaalsContact CB-CG 3.49Å; H320-D322 WeakPolarHBondContact CB-OD1 3.39Å; H320-D322 WeakPolarHBondContact CB-OD2 3.32Å; H320-D322 PolarHBondContact O-N 2.9Å
321R59.3Low79.6Confident111 Ų11135.1 Ų35.142%0.41917%0.167SC..THydrogen-bonded Turntrans49.542.3-172.3-63.1-172-175.8-165.1-0.7110.9N315 D317 E465N315-R321 WeakPolarHBondContact OD1-CA 3.46Å; N315-R321 VanDerWaalsContact OD1-CB 3.28Å; N315-R321 WeakPolarHBondContact OD1-CB 3.4Å; D317-R321 WeakPolarHBondContact O-CA 3.48Å; D317-R321 PolarHBondContact O-N 2.83Å; R321-E465 VanDerWaalsContact CZ-O 3.32Å; R321-E465 PolarHBondContact NH2-O 3.31Å
322D71.5Confident80Confident46 Ų4634.8 Ų34.825%0.24617%0.166CC..  trans-71.4141.3-176.7-76.3-21.7000110.5A314 N315 M316 H320 H377A314-D322 CarbonylContact C-O 3.48Å; N315-D322 PolarHBondContact N-O 3.49Å; M316-D322 PolarHBondContact N-O 3.09Å; H320-D322 HydrophobicContact CB-CB 4.49Å; H320-D322 VanDerWaalsContact CB-CG 3.49Å; H320-D322 WeakPolarHBondContact CB-OD1 3.39Å; H320-D322 WeakPolarHBondContact CB-OD2 3.32Å; H320-D322 PolarHBondContact O-N 2.9Å; D322-H377 IonicContact OD2-CE1 3.51Å
323R81.4Confident80.4Confident39 Ų3937.2 Ų37.215%0.14718%0.177CC..EExtended strand (participates in β ladder)trans-108.1137.3170.3-69.3171.3-70.2-160-5.6108.2Q313 A314 N378 H379 Q427 E430Q313-R323 CarbonylContact O-C 3.48Å; Q313-R323 WeakPolarHBondContact O-CA 3.42Å; A314-R323 HydrophobicContact CB-CG 3.48Å; A314-R323 VanDerWaalsContact CB-CG 3.48Å; R323-N378 HydrophobicContact CB-CB 3.89Å; R323-N378 WeakPolarHBondContact CB-O 3.46Å; R323-N378 PolarHBondContact NE-O 3.24Å; R323-N378 PolarHBondContact O-N 3.09Å; R323-H379 PolarHBondContact NH2-O 3.19Å; R323-Q427 VanDerWaalsContact NH1-NE2 3.11Å; R323-E430 IonicContact NH1-OE2 2.67Å; R323-E430 PolarHBondContact NH1-OE2 3.36Å
324V87.9Confident81Confident1 Ų136.4 Ų36.41%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-121.9124.2177.6-173.60000108.6I312 Q313 M316 F326 L355 F357 G375 L376I312-V324 WeakPolarHBondContact CA-O 3.31Å; Q313-V324 PolarHBondContact N-O 3.07Å; Q313-V324 PolarHBondContact O-N 2.89Å; M316-V324 HydrophobicContact SD-CB 4.04Å; M316-V324 HydrophobicContact SD-CG2 3.95Å; V324-F326 HydrophobicContact CB-CE2 4.41Å; V324-F326 HydrophobicContact CG1-CE2 4.41Å; V324-L355 HydrophobicContact CG2-CD1 4.29Å; V324-F357 HydrophobicContact CG1-CZ 4.01Å; V324-G375 VanDerWaalsContact CG1-CA 3.4Å; V324-L376 CarbonylContact C-O 3.47Å; V324-L376 WeakPolarHBondContact CA-O 3.44Å
325A92Very high81.8Confident0 Ų040.9 Ų40.90%019%0.193CC..EExtended strand (participates in β ladder)trans-91.8119.3168.900000108.4V309 K311 I312 L376 N378 I382V309-A325 HydrophobicContact CG1-CB 3.9Å; V309-A325 HydrophobicContact CG2-CB 4.29Å; K311-A325 CarbonylContact O-C 3.24Å; I312-A325 HydrophobicContact CG1-CB 4.09Å; A325-L376 HydrophobicContact CB-CB 4.42Å; A325-L376 PolarHBondContact N-O 3.46Å; A325-L376 PolarHBondContact O-N 2.95Å; A325-N378 HydrophobicContact CB-CB 4.31Å; A325-I382 HydrophobicContact CB-CB 4.2Å; A325-I382 HydrophobicContact CB-CD1 4.17Å; A325-I382 HydrophobicContact CB-CG2 3.67Å
326F93.6Very high83.1Confident2 Ų244.6 Ų44.61%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-85.3116.3177.7-65.7-97.9000108.9V83 V309 F310 K311 Q313 M316 V324 F357 I373 L374V83-F326 HydrophobicContact CB-CD1 4.26Å; V83-F326 HydrophobicContact CB-CE1 4.09Å; V83-F326 HydrophobicContact CG2-CD1 3.72Å; V83-F326 HydrophobicContact CG2-CE1 3.87Å; V309-F326 WeakPolarHBondContact CA-O 3.19Å; F310-F326 HydrophobicContact CD1-CB 4.35Å; F310-F326 VanDerWaalsContact CD1-O 3.29Å; F310-F326 WeakPolarHBondContact CD1-O 3.36Å; F310-F326 HydrophobicContact CE1-CB 3.67Å; F310-F326 HydrophobicContact CE2-CB 4.38Å; F310-F326 HydrophobicContact CZ-CB 3.69Å; F310-F326 PolarHBondContact N-O 2.7Å; F310-F326 VanDerWaalsContact N-O 3.07Å; K311-F326 HydrophobicContact CB-CB 4.2Å; K311-F326 HydrophobicContact CB-CD2 4.26Å; K311-F326 HydrophobicContact CD-CD2 4.38Å; K311-F326 HydrophobicContact CG-CD2 4.04Å; K311-F326 PolarHBondContact O-N 2.78Å; Q313-F326 HydrophobicContact CB-CE2 3.84Å; M316-F326 HydrophobicContact CE-CZ 4.09Å; M316-F326 HydrophobicContact SD-CE2 4.33Å; M316-F326 HydrophobicContact SD-CZ 4.04Å; V324-F326 HydrophobicContact CB-CE2 4.41Å; V324-F326 HydrophobicContact CG1-CE2 4.41Å; F326-F357 HydrophobicContact CD1-CD2 4.39Å; F326-F357 AromaticContact CD1-CE2 3.63Å; F326-F357 HydrophobicContact CD1-CE2 3.63Å; F326-F357 AromaticContact CD1-CZ 3.8Å; F326-F357 HydrophobicContact CD1-CZ 3.8Å; F326-F357 HydrophobicContact CE1-CD1 4.3Å; F326-F357 HydrophobicContact CE1-CD2 4.01Å; F326-F357 AromaticContact CE1-CE1 3.67Å; F326-F357 HydrophobicContact CE1-CE1 3.67Å; F326-F357 AromaticContact CE1-CE2 3.34Å; F326-F357 HydrophobicContact CE1-CE2 3.34Å; F326-F357 HydrophobicContact CE1-CG 4.45Å; F326-F357 AromaticContact CE1-CZ 3.14Å; F326-F357 HydrophobicContact CE1-CZ 3.14Å; F326-F357 AromaticContact CZ-CE1 4Å; F326-F357 HydrophobicContact CZ-CE1 4Å; F326-F357 HydrophobicContact CZ-CE2 4.34Å; F326-F357 AromaticContact CZ-CZ 3.71Å; F326-F357 HydrophobicContact CZ-CZ 3.71Å; F326-I373 HydrophobicContact CB-CG2 4.22Å; F326-I373 HydrophobicContact CD1-CG2 4.06Å; F326-L374 CarbonylContact C-O 3.58Å; F326-L374 WeakPolarHBondContact CA-O 3.35Å
327M95.6Very high84.5Confident0 Ų044.5 Ų44.50%022%0.218CC..EExtended strand (participates in β ladder)trans-111.5127.6-178.2-176.7177.261.500109.8F305 F308 V309 I373 L374 L376 F388F305-M327 HydrophobicContact CE1-CE 4.12Å; F305-M327 HydrophobicContact CE1-SD 4.31Å; F305-M327 HydrophobicContact CZ-CE 3.58Å; F305-M327 HydrophobicContact CZ-SD 4.24Å; F308-M327 CarbonylContact O-C 3.59Å; F308-M327 VanDerWaalsContact O-CA 3.24Å; F308-M327 WeakPolarHBondContact O-CA 3.12Å; F308-M327 WeakPolarHBondContact O-CG 3.34Å; V309-M327 HydrophobicContact CG2-CB 4.22Å; V309-M327 HydrophobicContact CG2-CG 4.48Å; M327-I373 CarbonylContact O-C 3.58Å; M327-I373 WeakPolarHBondContact O-CA 3.38Å; M327-L374 HydrophobicContact CE-CB 4.12Å; M327-L374 HydrophobicContact CE-CD1 3.73Å; M327-L374 HydrophobicContact CE-CG 4.48Å; M327-L374 PolarHBondContact N-O 2.82Å; M327-L374 PolarHBondContact O-N 2.96Å; M327-L376 HydrophobicContact CB-CD1 4.34Å; M327-L376 HydrophobicContact CB-CG 4.45Å; M327-L376 HydrophobicContact CE-CD1 3.83Å; M327-L376 HydrophobicContact CE-CD2 4.16Å; M327-L376 HydrophobicContact CE-CG 4.23Å; M327-L376 HydrophobicContact SD-CD1 3.93Å; M327-F388 HydrophobicContact SD-CB 3.96Å; M327-F388 HydrophobicContact SD-CD2 3.73Å; M327-F388 HydrophobicContact SD-CG 4.03Å
328R96.7Very high86Confident2 Ų243.2 Ų43.21%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-81.7124.7167.9169.858-175.5-139.1-13.9109.1T24 A114 D116 G307 F308 F310 V330 G371 I373T24-R328 PolarHBondContact OG1-NH1 3.34Å; A114-R328 HydrophobicContact CB-CB 4.17Å; A114-R328 PolarHBondContact O-NH1 3.2Å; D116-R328 VanDerWaalsContact CG-NH2 3.35Å; D116-R328 IonicContact OD1-NH2 3.65Å; D116-R328 PolarHBondContact OD1-NH2 3.42Å; D116-R328 IonicContact OD2-CZ 2.89Å; D116-R328 IonicContact OD2-NH1 3.26Å; D116-R328 PolarHBondContact OD2-NH1 2.89Å; D116-R328 IonicContact OD2-NH2 2.92Å; D116-R328 PolarHBondContact OD2-NH2 3.28Å; G307-R328 CarbonylContact C-O 3.58Å; G307-R328 WeakPolarHBondContact CA-O 3.35Å; F308-R328 HydrophobicContact CD1-CB 4.31Å; F308-R328 HydrophobicContact CE1-CB 3.87Å; F308-R328 HydrophobicContact CE1-CG 3.77Å; F308-R328 HydrophobicContact CE2-CB 4.26Å; F308-R328 HydrophobicContact CZ-CB 3.85Å; F308-R328 HydrophobicContact CZ-CG 3.95Å; F308-R328 PolarHBondContact N-O 3.48Å; F308-R328 VanDerWaalsContact N-O 3.09Å; F308-R328 PolarHBondContact O-N 3.16Å; F310-R328 HydrophobicContact CD1-CB 4.34Å; R328-V330 HydrophobicContact CG-CG2 4.27Å; R328-G371 VanDerWaalsContact NH1-C 3.27Å; R328-G371 PolarHBondContact NH1-O 2.95Å; R328-I373 HydrophobicContact CB-CD1 4.03Å; R328-I373 HydrophobicContact CG-CD1 4.43Å
329V97.6Very high87.9Confident0 Ų044.9 Ų44.90%021%0.208CC..EExtended strand (participates in β ladder)trans-77.5127.4168.4-174.60000109F305 Y369 P370 G371 D372 L374F305-V329 HydrophobicContact CD2-CG1 4.22Å; F305-V329 HydrophobicContact CE2-CB 4.35Å; F305-V329 HydrophobicContact CE2-CG1 3.65Å; F305-V329 HydrophobicContact CE2-CG2 3.89Å; F305-V329 HydrophobicContact CZ-CG1 4.34Å; F305-V329 HydrophobicContact CZ-CG2 4.16Å; V329-Y369 WeakPolarHBondContact CB-O 3.32Å; V329-P370 HydrophobicContact CG1-CG 4.47Å; V329-G371 PolarHBondContact O-N 3.49Å; V329-D372 PolarHBondContact N-O 3.09Å; V329-L374 HydrophobicContact CG2-CD1 3.75Å; V329-L374 HydrophobicContact CG2-CG 3.92Å
330V97.7Very high89.9Confident3 Ų336.7 Ų36.72%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-106.8-43.4-177.5177.50000111.3R291 V298 A300 T306 F308 R328 P370 F396R291-V330 HydrophobicContact CB-CG1 3.91Å; R291-V330 HydrophobicContact CG-CG1 3.81Å; R291-V330 HydrophobicContact CG-CG2 4.07Å; V298-V330 HydrophobicContact CB-CG1 4.16Å; V298-V330 HydrophobicContact CG1-CG1 3.88Å; A300-V330 VanDerWaalsContact CA-O 3.28Å; A300-V330 WeakPolarHBondContact CA-O 3.36Å; T306-V330 PolarHBondContact O-N 3.34Å; F308-V330 HydrophobicContact CD1-CG2 3.68Å; F308-V330 HydrophobicContact CE1-CG2 3.66Å; R328-V330 HydrophobicContact CG-CG2 4.27Å; V330-P370 WeakPolarHBondContact O-CB 3.35Å; V330-F396 HydrophobicContact CB-CE1 4.24Å; V330-F396 HydrophobicContact CB-CZ 3.79Å; V330-F396 HydrophobicContact CG1-CE1 3.86Å; V330-F396 HydrophobicContact CG1-CZ 3.81Å; V330-F396 HydrophobicContact CG2-CE1 4.02Å; V330-F396 HydrophobicContact CG2-CE2 4.24Å; V330-F396 HydrophobicContact CG2-CZ 3.76Å
331S97.8Very high91.9Very high0 Ų033.8 Ų33.80%016%0.156CC..EExtended strand (participates in β ladder)trans-144.7166177.568.90000111.1E299 K304 F305 T306E299-S331 VanDerWaalsContact O-CB 3.3Å; E299-S331 WeakPolarHBondContact O-CB 3.39Å; K304-S331 CarbonylContact O-C 3.57Å; K304-S331 PolarHBondContact O-OG 3.22Å; F305-S331 VanDerWaalsContact CA-O 3.25Å; F305-S331 WeakPolarHBondContact CA-O 3.34Å; T306-S331 WeakPolarHBondContact CB-OG 3.47Å; T306-S331 VanDerWaalsContact CG2-OG 3.25Å; T306-S331 WeakPolarHBondContact CG2-OG 3.49Å; T306-S331 PolarHBondContact N-O 2.87Å; T306-S331 PolarHBondContact N-OG 3.11Å; T306-S331 PolarHBondContact O-N 3.32Å; T306-S331 PolarHBondContact OG1-N 2.86Å; T306-S331 PolarHBondContact OG1-OG 2.81Å
332G96.7Very high93.7Very high0 Ų028.7 Ų28.70%014%0.137CC..SBendtrans64.2177.5179.700000114.5Y15 E302 D303 K304 P370Y15-G332 WeakPolarHBondContact OH-CA 3.46Å; Y15-G332 PolarHBondContact OH-N 3.31Å; E302-G332 WeakPolarHBondContact O-CA 3.48Å; E302-G332 PolarHBondContact O-N 3.18Å; D303-G332 VanDerWaalsContact O-CA 3.27Å; D303-G332 WeakPolarHBondContact O-CA 3.31Å; K304-G332 PolarHBondContact O-N 3.44Å; G332-P370 WeakPolarHBondContact O-CD 3.37Å
333K96Very high94.9Very high53 Ų5327.3 Ų27.323%0.2313%0.13CC..  trans-101.8127.1-179.9-174.8-173.7173-1580110E335 E367 Y369K333-E335 HydrophobicContact CD-CG 4.05Å; K333-E335 WeakPolarHBondContact CE-OE1 3.34Å; K333-E335 HydrophobicContact CG-CG 4.16Å; K333-E335 IonicContact NZ-OE1 3.64Å; K333-E335 PolarHBondContact NZ-OE1 2.97Å; K333-E367 WeakPolarHBondContact CE-OE1 3.34Å; K333-E367 WeakPolarHBondContact CE-OE2 3.34Å; K333-E367 IonicContact NZ-OE1 3.89Å; K333-E367 PolarHBondContact NZ-OE1 3.36Å; K333-E367 IonicContact NZ-OE2 2.96Å; K333-E367 PolarHBondContact NZ-OE2 3.17Å; K333-Y369 HydrophobicContact CD-CE1 4.19Å; K333-Y369 HydrophobicContact CG-CD1 4.48Å; K333-Y369 HydrophobicContact CG-CE1 4.05Å
334Y96.6Very high95.4Very high0 Ų030.6 Ų30.60%014%0.143CC..EExtended strand (participates in β ladder)trans-72.8133.6163.2170.3-102.6000109.1M338 I351 A354 V365 E367 A368 L374Y334-M338 HydrophobicContact CD2-CG 3.88Å; Y334-M338 HydrophobicContact CD2-SD 3.47Å; Y334-M338 WeakPolarHBondContact CD2-SD 3.5Å; Y334-M338 HydrophobicContact CE2-CG 3.95Å; Y334-M338 HydrophobicContact CE2-SD 4.16Å; Y334-M338 HydrophobicContact CG-SD 4.24Å; Y334-I351 HydrophobicContact CE2-CB 3.97Å; Y334-I351 HydrophobicContact CE2-CG2 3.6Å; Y334-I351 PolarHBondContact OH-O 3.3Å; Y334-A354 HydrophobicContact CE1-CB 3.68Å; Y334-A354 HydrophobicContact CE2-CB 4.15Å; Y334-A354 VanDerWaalsContact CZ-CB 3.44Å; Y334-A354 VanDerWaalsContact OH-CB 3.28Å; Y334-A354 WeakPolarHBondContact OH-CB 3.46Å; Y334-V365 HydrophobicContact CD1-CG1 4.41Å; Y334-V365 HydrophobicContact CE1-CG1 4.07Å; Y334-E367 VanDerWaalsContact O-CA 3.24Å; Y334-E367 WeakPolarHBondContact O-CA 3.38Å; Y334-A368 HydrophobicContact CD1-CB 4.16Å; Y334-A368 HydrophobicContact CG-CB 4.47Å; Y334-A368 PolarHBondContact N-O 2.83Å; Y334-A368 PolarHBondContact O-N 3.01Å; Y334-L374 HydrophobicContact CD1-CD1 4.08Å; Y334-L374 HydrophobicContact CD1-CD2 4.45Å; Y334-L374 HydrophobicContact CD2-CD1 3.95Å; Y334-L374 HydrophobicContact CG-CD1 3.69Å
335E95.6Very high95.6Very high99 Ų9932.6 Ų32.646%0.46316%0.155SC..EExtended strand (participates in β ladder)trans-129.7140.1170-64.6-173.9152.400109.1K333 G337 M338K333-E335 HydrophobicContact CD-CG 4.05Å; K333-E335 WeakPolarHBondContact CE-OE1 3.34Å; K333-E335 HydrophobicContact CG-CG 4.16Å; K333-E335 IonicContact NZ-OE1 3.64Å; K333-E335 PolarHBondContact NZ-OE1 2.97Å; E335-G337 PolarHBondContact O-N 3.27Å; E335-M338 WeakPolarHBondContact O-CB 3.25Å; E335-M338 VanDerWaalsContact O-CG 3.24Å; E335-M338 WeakPolarHBondContact O-CG 3.35Å; E335-M338 PolarHBondContact O-N 3.42Å
336K94.6Very high95.7Very high97 Ų9734.8 Ų34.842%0.42217%0.173SC..THydrogen-bonded Turntrans-53.4130-179.8-175.4174.9-176.8174.40112.4M338 S352 E366K336-M338 VanDerWaalsContact C-N 3.25Å; K336-M338 PolarHBondContact O-N 2.82Å; K336-S352 WeakPolarHBondContact CE-O 3.25Å; K336-S352 WeakPolarHBondContact CG-O 3.32Å; K336-E366 VanDerWaalsContact CD-CD 3.46Å; K336-E366 VanDerWaalsContact CD-OE1 3.26Å; K336-E366 WeakPolarHBondContact CD-OE1 3.37Å; K336-E366 WeakPolarHBondContact CD-OE2 3.29Å; K336-E366 PolarHBondContact N-O 3.02Å; K336-E366 IonicContact NZ-OE1 3.52Å; K336-E366 PolarHBondContact NZ-OE1 2.75Å; K336-E366 IonicContact NZ-OE2 2.83Å
337G93.2Very high95.7Very high38 Ų3841.5 Ų41.539%0.39220%0.202SC..THydrogen-bonded Turntrans77.69.4-178.900000113.6E335 I351E335-G337 PolarHBondContact O-N 3.27Å; G337-I351 WeakPolarHBondContact CA-O 3.31Å; G337-I351 PolarHBondContact N-O 2.96Å
338M95.3Very high95.7Very high22 Ų2245 Ų4511%0.10822%0.222CC..EExtended strand (participates in β ladder)trans-63.6146.7174.774.5175.2-43.900111.5F305 Y334 E335 K336 L340 I351 Q390F305-M338 HydrophobicContact CB-CE 3.63Å; F305-M338 HydrophobicContact CB-SD 4.44Å; F305-M338 HydrophobicContact CD2-CE 4.4Å; F305-M338 HydrophobicContact CD2-SD 4.15Å; F305-M338 HydrophobicContact CG-CE 3.95Å; F305-M338 HydrophobicContact CG-SD 4.12Å; Y334-M338 HydrophobicContact CD2-CG 3.88Å; Y334-M338 HydrophobicContact CD2-SD 3.47Å; Y334-M338 WeakPolarHBondContact CD2-SD 3.5Å; Y334-M338 HydrophobicContact CE2-CG 3.95Å; Y334-M338 HydrophobicContact CE2-SD 4.16Å; Y334-M338 HydrophobicContact CG-SD 4.24Å; E335-M338 WeakPolarHBondContact O-CB 3.25Å; E335-M338 VanDerWaalsContact O-CG 3.24Å; E335-M338 WeakPolarHBondContact O-CG 3.35Å; E335-M338 PolarHBondContact O-N 3.42Å; K336-M338 VanDerWaalsContact C-N 3.25Å; K336-M338 PolarHBondContact O-N 2.82Å; M338-L340 HydrophobicContact CE-CD2 3.46Å; M338-L340 VanDerWaalsContact CE-CD2 3.46Å; M338-L340 HydrophobicContact CE-CG 4.23Å; M338-L340 HydrophobicContact CG-CD1 4.34Å; M338-L340 HydrophobicContact CG-CD2 4.31Å; M338-L340 HydrophobicContact CG-CG 4.02Å; M338-L340 HydrophobicContact SD-CD1 4.07Å; M338-L340 HydrophobicContact SD-CD2 3.86Å; M338-L340 HydrophobicContact SD-CG 4.04Å; M338-I351 PolarHBondContact O-N 2.8Å; M338-Q390 HydrophobicContact CE-CG 4.22Å
339K96.5Very high95.6Very high126 Ų12647.4 Ų47.455%0.54824%0.236SC..EExtended strand (participates in β ladder)trans-94.5119.8177.7-172.7178.5172.9-165.50109.4D348 V349 V350K339-D348 HydrophobicContact CD-CB 4.23Å; K339-D348 WeakPolarHBondContact CE-OD2 3.31Å; K339-D348 HydrophobicContact CG-CB 4.05Å; K339-D348 IonicContact NZ-OD2 3.18Å; K339-D348 PolarHBondContact NZ-OD2 3.4Å; K339-V349 WeakPolarHBondContact CA-O 3.31Å; K339-V350 HydrophobicContact CG-CG2 4.46Å
340L97.2Very high95.5Very high1 Ų151.6 Ų51.61%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-118.8144.1-179.9-65.3179.6000111.2F305 M338 D348 V349 I351 F388 T389 Q390F305-L340 HydrophobicContact CB-CD2 4.14Å; F305-L340 HydrophobicContact CD1-CD1 3.63Å; F305-L340 HydrophobicContact CD1-CD2 3.37Å; F305-L340 HydrophobicContact CD1-CG 4.16Å; F305-L340 HydrophobicContact CE1-CD1 3.4Å; F305-L340 HydrophobicContact CE1-CD2 4.07Å; F305-L340 HydrophobicContact CE1-CG 4.39Å; F305-L340 HydrophobicContact CG-CD1 4.5Å; F305-L340 HydrophobicContact CG-CD2 3.95Å; F305-L340 HydrophobicContact CZ-CD1 4.11Å; M338-L340 HydrophobicContact CE-CD2 3.46Å; M338-L340 VanDerWaalsContact CE-CD2 3.46Å; M338-L340 HydrophobicContact CE-CG 4.23Å; M338-L340 HydrophobicContact CG-CD1 4.34Å; M338-L340 HydrophobicContact CG-CD2 4.31Å; M338-L340 HydrophobicContact CG-CG 4.02Å; M338-L340 HydrophobicContact SD-CD1 4.07Å; M338-L340 HydrophobicContact SD-CD2 3.86Å; M338-L340 HydrophobicContact SD-CG 4.04Å; L340-D348 CarbonylContact O-C 3.37Å; L340-D348 WeakPolarHBondContact O-CA 3.22Å; L340-V349 PolarHBondContact N-O 3Å; L340-V349 PolarHBondContact O-N 3.09Å; L340-I351 HydrophobicContact CD1-CG1 4.02Å; L340-I351 HydrophobicContact CG-CG1 4.44Å; L340-F388 HydrophobicContact CB-CB 4.38Å; L340-F388 HydrophobicContact CB-CD1 4.11Å; L340-F388 HydrophobicContact CD1-CB 4.16Å; L340-T389 CarbonylContact C-O 3.59Å; L340-T389 WeakPolarHBondContact CA-O 3.32Å; L340-Q390 HydrophobicContact CD2-CG 4.03Å
341R97.5Very high95.3Very high69 Ų6952.2 Ų52.226%0.2626%0.264SS..EExtended strand (participates in β ladder)trans-84.4117.3171.9179.563.7136.3-155.16.2108.9V343 A346 D348 F388 T389 M393R341-V343 PolarHBondContact O-N 2.89Å; R341-A346 PolarHBondContact NH1-O 2.95Å; R341-A346 PolarHBondContact NH2-O 3.26Å; R341-D348 VanDerWaalsContact CD-OD1 3.29Å; R341-D348 WeakPolarHBondContact CD-OD1 3.42Å; R341-D348 IonicContact CZ-OD1 3.48Å; R341-D348 IonicContact NE-OD1 3.81Å; R341-D348 IonicContact NH1-OD1 3.5Å; R341-D348 PolarHBondContact NH1-OD1 3.26Å; R341-F388 VanDerWaalsContact O-CA 3.31Å; R341-F388 WeakPolarHBondContact O-CA 3.31Å; R341-T389 PolarHBondContact N-O 3.48Å; R341-T389 PolarHBondContact O-N 2.69Å; R341-M393 HydrophobicContact CG-SD 4.33Å
342Q96.9Very high94.9Very high5 Ų554.6 Ų54.62%0.02328%0.281CS..EExtended strand (participates in β ladder)trans-77.4107.6164-174.6-171.522.800107.7R344 T345 A346 K347 V349 T381 D386 F388Q342-R344 PolarHBondContact O-N 3.16Å; Q342-T345 HydrophobicContact CG-CG2 4.44Å; Q342-T345 PolarHBondContact O-N 2.71Å; Q342-T345 PolarHBondContact O-OG1 2.78Å; Q342-T345 VanDerWaalsContact OE1-CG2 3.28Å; Q342-T345 PolarHBondContact OE1-OG1 3.41Å; Q342-A346 PolarHBondContact O-N 2.95Å; Q342-K347 PolarHBondContact N-O 3.46Å; Q342-V349 HydrophobicContact CB-CG2 4.5Å; Q342-T381 PolarHBondContact NE2-O 3.23Å; Q342-D386 PolarHBondContact NE2-OD2 3.44Å; Q342-F388 HydrophobicContact CB-CD1 4.25Å; Q342-F388 HydrophobicContact CB-CE1 3.82Å; Q342-F388 HydrophobicContact CB-CZ 4.29Å; Q342-F388 HydrophobicContact CG-CE1 4.1Å; Q342-F388 HydrophobicContact CG-CZ 4.05Å
343V95.9Very high94.4Very high16 Ų1658.2 Ų58.210%0.09730%0.3CS..THydrogen-bonded Turntrans-62.4-46.5-167.2176.20000111.7R341 T345 A346 T387 T389 M393 M394R341-V343 PolarHBondContact O-N 2.89Å; V343-T345 VanDerWaalsContact C-N 3.31Å; V343-T345 PolarHBondContact O-N 3.13Å; V343-A346 PolarHBondContact O-N 3Å; V343-A346 VanDerWaalsContact O-N 3.12Å; V343-T387 HydrophobicContact CG2-CG2 4.16Å; V343-T387 WeakPolarHBondContact CG2-O 3.24Å; V343-T387 PolarHBondContact N-O 3.04Å; V343-T389 HydrophobicContact CG2-CG2 3.89Å; V343-M393 HydrophobicContact CG1-CE 3.88Å; V343-M393 HydrophobicContact CG1-SD 4.24Å; V343-M394 WeakPolarHBondContact CG1-O 3.21Å; V343-M394 WeakPolarHBondContact CG2-O 3.29Å
344R93.2Very high94.2Very high108 Ų10855.7 Ų55.741%0.40829%0.29SS..THydrogen-bonded Turntrans-56.5-40.7-178.7-177.5-178.155.780.54.8113.4Q342 T381 D386Q342-R344 PolarHBondContact O-N 3.16Å; R344-T381 PolarHBondContact NH2-O 3.26Å; R344-D386 WeakPolarHBondContact CB-OD1 3.49Å; R344-D386 WeakPolarHBondContact CD-OD1 3.46Å; R344-D386 IonicContact CZ-OD1 3.94Å; R344-D386 IonicContact CZ-OD2 3.36Å; R344-D386 IonicContact NE-OD1 3.72Å; R344-D386 PolarHBondContact NE-OD1 3.47Å; R344-D386 IonicContact NE-OD2 3.25Å; R344-D386 IonicContact NH2-OD1 3.87Å; R344-D386 PolarHBondContact NH2-OD1 3.36Å; R344-D386 IonicContact NH2-OD2 2.76Å; R344-D386 PolarHBondContact NH2-OD2 3.42Å
345T92.2Very high93.9Very high43 Ų4356.2 Ų56.226%0.26429%0.292SS..THydrogen-bonded Turntrans-93.5-7.7-177.8660000112.9Q342 V343 K347Q342-T345 HydrophobicContact CG-CG2 4.44Å; Q342-T345 PolarHBondContact O-N 2.71Å; Q342-T345 PolarHBondContact O-OG1 2.78Å; Q342-T345 VanDerWaalsContact OE1-CG2 3.28Å; Q342-T345 PolarHBondContact OE1-OG1 3.41Å; V343-T345 VanDerWaalsContact C-N 3.31Å; V343-T345 PolarHBondContact O-N 3.13Å; T345-K347 PolarHBondContact O-N 3.12Å; T345-K347 VanDerWaalsContact O-N 3.13Å; T345-K347 PolarHBondContact OG1-N 3.26Å
346A93.2Very high93.5Very high47 Ų4752.1 Ų52.139%0.38827%0.274SS..THydrogen-bonded Turntrans50.230.1-170.700000113.2R341 Q342 V343 M393R341-A346 PolarHBondContact NH1-O 2.95Å; R341-A346 PolarHBondContact NH2-O 3.26Å; Q342-A346 PolarHBondContact O-N 2.95Å; V343-A346 PolarHBondContact O-N 3Å; V343-A346 VanDerWaalsContact O-N 3.12Å; A346-M393 HydrophobicContact CB-CE 4.39Å
347K94.6Very high92.9Very high142 Ų14248 Ų4862%0.61726%0.256SS*.EExtended strand (participates in β ladder)trans-106.1144.8177-69-179.3-179.1178.90110.5Q342 T345Q342-K347 PolarHBondContact N-O 3.46Å; T345-K347 PolarHBondContact O-N 3.12Å; T345-K347 VanDerWaalsContact O-N 3.13Å; T345-K347 PolarHBondContact OG1-N 3.26Å
348D95.6Very high91.9Very high75 Ų7549.7 Ų49.740%0.40126%0.255SS..EExtended strand (participates in β ladder)trans-88.9137.4170.3-54.6-20.2000110K339 L340 R341K339-D348 HydrophobicContact CD-CB 4.23Å; K339-D348 WeakPolarHBondContact CE-OD2 3.31Å; K339-D348 HydrophobicContact CG-CB 4.05Å; K339-D348 IonicContact NZ-OD2 3.18Å; K339-D348 PolarHBondContact NZ-OD2 3.4Å; L340-D348 CarbonylContact O-C 3.37Å; L340-D348 WeakPolarHBondContact O-CA 3.22Å; R341-D348 VanDerWaalsContact CD-OD1 3.29Å; R341-D348 WeakPolarHBondContact CD-OD1 3.42Å; R341-D348 IonicContact CZ-OD1 3.48Å; R341-D348 IonicContact NE-OD1 3.81Å; R341-D348 IonicContact NH1-OD1 3.5Å; R341-D348 PolarHBondContact NH1-OD1 3.26Å
349V94.3Very high90.5Very high51 Ų5150.3 Ų50.331%0.30926%0.264SS..EExtended strand (participates in β ladder)trans-128.3137.4-179.5-171.90000108.4K339 L340 Q342 I351K339-V349 WeakPolarHBondContact CA-O 3.31Å; L340-V349 PolarHBondContact N-O 3Å; L340-V349 PolarHBondContact O-N 3.09Å; Q342-V349 HydrophobicContact CB-CG2 4.5Å; V349-I351 HydrophobicContact CB-CD1 4.39Å; V349-I351 HydrophobicContact CG1-CD1 3.88Å
350V95.1Very high88.9Confident89 Ų8946.9 Ų46.954%0.53926%0.264SS..EExtended strand (participates in β ladder)trans-90.6126.8172.7176.10000108.3K339K339-V350 HydrophobicContact CG-CG2 4.46Å
351I93.8Very high87.5Confident15 Ų1552.9 Ų52.98%0.07730%0.296CS..EExtended strand (participates in β ladder)trans-105.886.7-178.3-53-59000109.7Y334 G337 M338 L340 V349 A354 L376Y334-I351 HydrophobicContact CE2-CB 3.97Å; Y334-I351 HydrophobicContact CE2-CG2 3.6Å; Y334-I351 PolarHBondContact OH-O 3.3Å; G337-I351 WeakPolarHBondContact CA-O 3.31Å; G337-I351 PolarHBondContact N-O 2.96Å; M338-I351 PolarHBondContact O-N 2.8Å; L340-I351 HydrophobicContact CD1-CG1 4.02Å; L340-I351 HydrophobicContact CG-CG1 4.44Å; V349-I351 HydrophobicContact CB-CD1 4.39Å; V349-I351 HydrophobicContact CG1-CD1 3.88Å; I351-A354 HydrophobicContact CG2-CB 4.1Å; I351-L376 HydrophobicContact CD1-CD1 4.41Å; I351-L376 HydrophobicContact CG2-CD2 3.59Å
352S88.8Confident86.4Confident51 Ų5154.5 Ų54.536%0.35730%0.302SS..  trans-88.6-25.3-178.446.90000114.9K336K336-S352 WeakPolarHBondContact CE-O 3.25Å; K336-S352 WeakPolarHBondContact CG-O 3.32Å
353D87.5Confident85.7Confident75 Ų7556.7 Ų56.740%0.40132%0.318SS..  trans-128.247.7-166.2-56.7-67.2000111H377D353-H377 PolarHBondContact O-CD2 3.25Å
354A91.5Very high85.3Confident0 Ų061 Ų610%034%0.337CS..  trans-67.8144.617300000110.6Y334 I351 H364 V365 L374 G375 L376Y334-A354 HydrophobicContact CE1-CB 3.68Å; Y334-A354 HydrophobicContact CE2-CB 4.15Å; Y334-A354 VanDerWaalsContact CZ-CB 3.44Å; Y334-A354 VanDerWaalsContact OH-CB 3.28Å; Y334-A354 WeakPolarHBondContact OH-CB 3.46Å; I351-A354 HydrophobicContact CG2-CB 4.1Å; A354-H364 WeakPolarHBondContact O-CA 3.26Å; A354-V365 HydrophobicContact CB-CG1 3.83Å; A354-V365 PolarHBondContact O-N 3.24Å; A354-L374 HydrophobicContact CB-CD2 4.25Å; A354-G375 WeakPolarHBondContact CA-O 2.96Å; A354-L376 HydrophobicContact CB-CD2 4.13Å
355L90Very high85.2Confident12 Ų1256.8 Ų56.86%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-107.6143.8179.3-56.8173.9000110.4V324 F357 S363 G375V324-L355 HydrophobicContact CG2-CD1 4.29Å; L355-F357 HydrophobicContact CB-CZ 4.49Å; L355-S363 CarbonylContact C-O 3.56Å; L355-S363 WeakPolarHBondContact CA-O 3.49Å; L355-G375 PolarHBondContact N-O 3.28Å; L355-G375 PolarHBondContact O-N 2.86Å
356T87Confident85.1Confident13 Ų1359.9 Ų59.98%0.0834%0.335CS..EExtended strand (participates in β ladder)trans-111.9156159-1730000109.6M358 R362 S363 V365T356-M358 HydrophobicContact CG2-CG 4.13Å; T356-R362 WeakPolarHBondContact O-CA 3.36Å; T356-S363 VanDerWaalsContact CG2-OG 3.26Å; T356-S363 WeakPolarHBondContact CG2-OG 3.37Å; T356-S363 PolarHBondContact N-O 3.2Å; T356-S363 PolarHBondContact O-N 3.36Å; T356-S363 VanDerWaalsContact O-N 3.07Å; T356-V365 HydrophobicContact CG2-CB 4.03Å; T356-V365 HydrophobicContact CG2-CG2 4.47Å
357F82.5Confident85.2Confident10 Ų1062 Ų624%0.04434%0.337CS..EExtended strand (participates in β ladder)trans-11580-173.3-55.8-90000109.8V83 M84 Q85 M316 V324 F326 L355 D361 R362V83-F357 HydrophobicContact CB-CD2 4.31Å; V83-F357 HydrophobicContact CB-CG 4.49Å; V83-F357 HydrophobicContact CG1-CB 4.43Å; V83-F357 HydrophobicContact CG1-CD2 4.09Å; V83-F357 WeakPolarHBondContact O-CB 2.6Å; M84-F357 CarbonylContact C-O 3.5Å; M84-F357 WeakPolarHBondContact CA-O 3.37Å; Q85-F357 PolarHBondContact N-O 3.17Å; M316-F357 HydrophobicContact CE-CE1 4.4Å; V324-F357 HydrophobicContact CG1-CZ 4.01Å; F326-F357 HydrophobicContact CD1-CD2 4.39Å; F326-F357 AromaticContact CD1-CE2 3.63Å; F326-F357 HydrophobicContact CD1-CE2 3.63Å; F326-F357 AromaticContact CD1-CZ 3.8Å; F326-F357 HydrophobicContact CD1-CZ 3.8Å; F326-F357 HydrophobicContact CE1-CD1 4.3Å; F326-F357 HydrophobicContact CE1-CD2 4.01Å; F326-F357 AromaticContact CE1-CE1 3.67Å; F326-F357 HydrophobicContact CE1-CE1 3.67Å; F326-F357 AromaticContact CE1-CE2 3.34Å; F326-F357 HydrophobicContact CE1-CE2 3.34Å; F326-F357 HydrophobicContact CE1-CG 4.45Å; F326-F357 AromaticContact CE1-CZ 3.14Å; F326-F357 HydrophobicContact CE1-CZ 3.14Å; F326-F357 AromaticContact CZ-CE1 4Å; F326-F357 HydrophobicContact CZ-CE1 4Å; F326-F357 HydrophobicContact CZ-CE2 4.34Å; F326-F357 AromaticContact CZ-CZ 3.71Å; F326-F357 HydrophobicContact CZ-CZ 3.71Å; L355-F357 HydrophobicContact CB-CZ 4.49Å; F357-D361 CarbonylContact C-O 3.57Å; F357-D361 WeakPolarHBondContact CA-O 3.43Å; F357-R362 HydrophobicContact CD1-CG 3.87Å; F357-R362 HydrophobicContact CE1-CG 3.97Å
358M72.5Confident85.2Confident73 Ų7355.4 Ų55.436%0.3631%0.308SS..EExtended strand (participates in β ladder)trans-87118.1-178.3-73-69.4-160.900109.8Q85 T356 G360 D361Q85-M358 HydrophobicContact CB-SD 3.86Å; Q85-M358 HydrophobicContact CG-CE 4.24Å; Q85-M358 HydrophobicContact CG-SD 3.88Å; T356-M358 HydrophobicContact CG2-CG 4.13Å; M358-G360 PolarHBondContact O-N 3.49Å; M358-D361 PolarHBondContact N-O 3Å; M358-D361 PolarHBondContact O-N 3.36Å
359A65.3Low85.3Confident36 Ų3653.3 Ų53.330%0.29830%0.295SS..THydrogen-bonded Turntrans52.422.817400000116.3A48 Q85A48-A359 HydrophobicContact CB-CB 3.6Å; Q85-A359 PolarHBondContact O-N 2.88Å
360G61.8Low85.4Confident54 Ų5450.9 Ų50.956%0.55728%0.28SS*.THydrogen-bonded Turntrans95.8-12.1-175.100000115.2M358M358-G360 PolarHBondContact O-N 3.49Å
361D67.7Low85.4Confident127 Ų12746.6 Ų46.668%0.67926%0.255SS*.EExtended strand (participates in β ladder)trans-87.4146.9170.5-71.9-32.9000111F357 M358F357-D361 CarbonylContact C-O 3.57Å; F357-D361 WeakPolarHBondContact CA-O 3.43Å; M358-D361 PolarHBondContact N-O 3Å; M358-D361 PolarHBondContact O-N 3.36Å
362R76.2Confident85.5Confident102 Ų10246.3 Ų46.339%0.38525%0.253SS..EExtended strand (participates in β ladder)trans-99.8129.5173.7-58.4-175.6-157138.217.9109M316 T356 F357M316-R362 PolarHBondContact O-NH1 3.44Å; M316-R362 PolarHBondContact O-NH2 3.42Å; T356-R362 WeakPolarHBondContact O-CA 3.36Å; F357-R362 HydrophobicContact CD1-CG 3.87Å; F357-R362 HydrophobicContact CE1-CG 3.97Å
363S81.8Confident85.8Confident52 Ų5244 Ų4436%0.36424%0.237SC..EExtended strand (participates in β ladder)trans-132.7151.1173.7550000109.8L355 T356L355-S363 CarbonylContact C-O 3.56Å; L355-S363 WeakPolarHBondContact CA-O 3.49Å; T356-S363 VanDerWaalsContact CG2-OG 3.26Å; T356-S363 WeakPolarHBondContact CG2-OG 3.37Å; T356-S363 PolarHBondContact N-O 3.2Å; T356-S363 PolarHBondContact O-N 3.36Å; T356-S363 VanDerWaalsContact O-N 3.07Å
364H87.3Confident86.2Confident105 Ų10540.5 Ų40.549%0.48622%0.218SC..EExtended strand (participates in β ladder)trans-66.7136.4170.1-68.1-70000109.2A354A354-H364 WeakPolarHBondContact O-CA 3.26Å
365V90.3Very high86.2Confident21 Ų2140.5 Ų40.513%0.12722%0.218CC..  trans-106.2132.5176.964.60000109.3Y334 A354 T356 E367 A368 L374Y334-V365 HydrophobicContact CD1-CG1 4.41Å; Y334-V365 HydrophobicContact CE1-CG1 4.07Å; A354-V365 HydrophobicContact CB-CG1 3.83Å; A354-V365 PolarHBondContact O-N 3.24Å; T356-V365 HydrophobicContact CG2-CB 4.03Å; T356-V365 HydrophobicContact CG2-CG2 4.47Å; V365-E367 WeakPolarHBondContact CG2-O 3.23Å; V365-A368 HydrophobicContact CG2-CB 4.43Å; V365-L374 HydrophobicContact CG1-CD2 3.45Å; V365-L374 VanDerWaalsContact CG1-CD2 3.45Å
366E91.1Very high86.3Confident108 Ų10840.1 Ų40.151%0.50522%0.216SC..SBendtrans-85.3-37177.9-65.9-66.6145.300111K336K336-E366 VanDerWaalsContact CD-CD 3.46Å; K336-E366 VanDerWaalsContact CD-OE1 3.26Å; K336-E366 WeakPolarHBondContact CD-OE1 3.37Å; K336-E366 WeakPolarHBondContact CD-OE2 3.29Å; K336-E366 PolarHBondContact N-O 3.02Å; K336-E366 IonicContact NZ-OE1 3.52Å; K336-E366 PolarHBondContact NZ-OE1 2.75Å; K336-E366 IonicContact NZ-OE2 2.83Å
367E94.2Very high86.4Confident92 Ų9242.4 Ų42.443%0.4323%0.226SC..EExtended strand (participates in β ladder)trans-141.4140.6-177.8-55.2-174.6162.300111.3K333 Y334 V365 Y369K333-E367 WeakPolarHBondContact CE-OE1 3.34Å; K333-E367 WeakPolarHBondContact CE-OE2 3.34Å; K333-E367 IonicContact NZ-OE1 3.89Å; K333-E367 PolarHBondContact NZ-OE1 3.36Å; K333-E367 IonicContact NZ-OE2 2.96Å; K333-E367 PolarHBondContact NZ-OE2 3.17Å; Y334-E367 VanDerWaalsContact O-CA 3.24Å; Y334-E367 WeakPolarHBondContact O-CA 3.38Å; V365-E367 WeakPolarHBondContact CG2-O 3.23Å; E367-Y369 HydrophobicContact CB-CE2 4.36Å; E367-Y369 PolarHBondContact OE2-OH 3.43Å
368A95.4Very high86.7Confident2 Ų242.1 Ų42.12%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-143.2155.3173.500000111.3Y334 V365 D372 L374Y334-A368 HydrophobicContact CD1-CB 4.16Å; Y334-A368 HydrophobicContact CG-CB 4.47Å; Y334-A368 PolarHBondContact N-O 2.83Å; Y334-A368 PolarHBondContact O-N 3.01Å; V365-A368 HydrophobicContact CG2-CB 4.43Å; A368-D372 HydrophobicContact CB-CB 4.02Å; A368-L374 HydrophobicContact CB-CD1 4.21Å; A368-L374 HydrophobicContact CB-CD2 3.59Å; A368-L374 HydrophobicContact CB-CG 4.12Å
369Y96.9Very high87.1Confident31 Ų3145.9 Ų45.912%0.12224%0.241CC..  trans-126.4167.2-170.3-66.2-96000110.2Y15 E18 V329 K333 E367 G371 D372Y15-Y369 AromaticContact CD2-CD1 3.86Å; Y15-Y369 HydrophobicContact CD2-CD1 3.86Å; Y15-Y369 AromaticContact CD2-CE1 3.96Å; Y15-Y369 HydrophobicContact CD2-CE1 3.96Å; Y15-Y369 HydrophobicContact CE2-CD1 4.01Å; E18-Y369 HydrophobicContact CB-CD1 3.55Å; E18-Y369 HydrophobicContact CB-CD2 4.14Å; E18-Y369 HydrophobicContact CB-CE1 3.69Å; E18-Y369 HydrophobicContact CB-CE2 4.27Å; E18-Y369 HydrophobicContact CB-CG 3.77Å; E18-Y369 HydrophobicContact CG-CD1 4.23Å; E18-Y369 HydrophobicContact CG-CD2 4.45Å; E18-Y369 HydrophobicContact CG-CE1 3.86Å; E18-Y369 HydrophobicContact CG-CE2 4.11Å; E18-Y369 HydrophobicContact CG-CG 4.5Å; V329-Y369 WeakPolarHBondContact CB-O 3.32Å; K333-Y369 HydrophobicContact CD-CE1 4.19Å; K333-Y369 HydrophobicContact CG-CD1 4.48Å; K333-Y369 HydrophobicContact CG-CE1 4.05Å; E367-Y369 HydrophobicContact CB-CE2 4.36Å; E367-Y369 PolarHBondContact OE2-OH 3.43Å; Y369-G371 PolarHBondContact O-N 3.49Å; Y369-D372 PolarHBondContact N-OD2 3.39Å; Y369-D372 VanDerWaalsContact O-CB 3.28Å; Y369-D372 WeakPolarHBondContact O-CB 3.44Å; Y369-D372 PolarHBondContact O-N 2.83Å
370P97.5Very high87.8Confident0 Ų045.5 Ų45.50%024%0.241CC..THydrogen-bonded Turntrans-49.4135.7170.3-29.739000110.8Y15 V19 P288 A300 V329 V330 G332Y15-P370 VanDerWaalsContact OH-CG 3.26Å; Y15-P370 WeakPolarHBondContact OH-CG 3.41Å; V19-P370 HydrophobicContact CG1-CB 4.39Å; V19-P370 HydrophobicContact CG2-CB 4.17Å; V19-P370 HydrophobicContact CG2-CG 3.9Å; P288-P370 HydrophobicContact CB-CB 3.99Å; P288-P370 VanDerWaalsContact CG-C 3.42Å; P288-P370 HydrophobicContact CG-CB 4.13Å; P288-P370 VanDerWaalsContact CG-O 3.26Å; P288-P370 WeakPolarHBondContact CG-O 3.31Å; A300-P370 HydrophobicContact CB-CB 3.83Å; A300-P370 HydrophobicContact CB-CG 4.29Å; V329-P370 HydrophobicContact CG1-CG 4.47Å; V330-P370 WeakPolarHBondContact O-CB 3.35Å; G332-P370 WeakPolarHBondContact O-CD 3.37Å
371G95.4Very high89Confident0 Ų047 Ų470%024%0.239CC..THydrogen-bonded Turntrans105.6-40.6-168.400000113.1T24 N94 R328 V329 Y369T24-G371 PolarHBondContact OG1-O 2.89Å; N94-G371 PolarHBondContact ND2-O 3.49Å; R328-G371 VanDerWaalsContact NH1-C 3.27Å; R328-G371 PolarHBondContact NH1-O 2.95Å; V329-G371 PolarHBondContact O-N 3.49Å; Y369-G371 PolarHBondContact O-N 3.49Å
372D95.6Very high90.1Very high8 Ų841.5 Ų41.54%0.04321%0.21CC..  trans-74.1150.6-172.7-62.2-33.5000111.6R22 Q85 N94 V329 A368 Y369R22-D372 WeakPolarHBondContact CG-OD1 3.42Å; R22-D372 IonicContact CZ-OD2 2.72Å; R22-D372 IonicContact NE-OD1 3.36Å; R22-D372 PolarHBondContact NE-OD1 3.42Å; R22-D372 IonicContact NE-OD2 3.17Å; R22-D372 PolarHBondContact NE-OD2 3.48Å; R22-D372 IonicContact NH2-OD2 2.8Å; Q85-D372 PolarHBondContact NE2-OD1 2.75Å; N94-D372 PolarHBondContact ND2-OD1 3.37Å; V329-D372 PolarHBondContact N-O 3.09Å; A368-D372 HydrophobicContact CB-CB 4.02Å; Y369-D372 PolarHBondContact N-OD2 3.39Å; Y369-D372 VanDerWaalsContact O-CB 3.28Å; Y369-D372 WeakPolarHBondContact O-CB 3.44Å; Y369-D372 PolarHBondContact O-N 2.83Å
373I94.8Very high90.7Very high4 Ų439 Ų392%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-109.2113.4174.6-54-57.2000108.5T24 V83 L96 F310 F326 M327 R328T24-I373 HydrophobicContact CG2-CD1 4.5Å; V83-I373 HydrophobicContact CG1-CB 3.73Å; V83-I373 HydrophobicContact CG1-CG1 4.07Å; V83-I373 HydrophobicContact CG1-CG2 3.78Å; V83-I373 HydrophobicContact CG2-CG2 4.16Å; L96-I373 HydrophobicContact CD1-CG1 4.03Å; L96-I373 HydrophobicContact CD2-CD1 4.48Å; F310-I373 HydrophobicContact CE1-CD1 4.01Å; F310-I373 HydrophobicContact CE1-CG2 3.85Å; F310-I373 HydrophobicContact CZ-CD1 4.47Å; F310-I373 HydrophobicContact CZ-CG2 4.04Å; F326-I373 HydrophobicContact CB-CG2 4.22Å; F326-I373 HydrophobicContact CD1-CG2 4.06Å; M327-I373 CarbonylContact O-C 3.58Å; M327-I373 WeakPolarHBondContact O-CA 3.38Å; R328-I373 HydrophobicContact CB-CD1 4.03Å; R328-I373 HydrophobicContact CG-CD1 4.43Å
374L94.8Very high91Very high1 Ų136.9 Ų36.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-92.6137177.7-67.9-178.5000110.9F326 M327 V329 Y334 A354 V365 A368 L376F326-L374 CarbonylContact C-O 3.58Å; F326-L374 WeakPolarHBondContact CA-O 3.35Å; M327-L374 HydrophobicContact CE-CB 4.12Å; M327-L374 HydrophobicContact CE-CD1 3.73Å; M327-L374 HydrophobicContact CE-CG 4.48Å; M327-L374 PolarHBondContact N-O 2.82Å; M327-L374 PolarHBondContact O-N 2.96Å; V329-L374 HydrophobicContact CG2-CD1 3.75Å; V329-L374 HydrophobicContact CG2-CG 3.92Å; Y334-L374 HydrophobicContact CD1-CD1 4.08Å; Y334-L374 HydrophobicContact CD1-CD2 4.45Å; Y334-L374 HydrophobicContact CD2-CD1 3.95Å; Y334-L374 HydrophobicContact CG-CD1 3.69Å; A354-L374 HydrophobicContact CB-CD2 4.25Å; V365-L374 HydrophobicContact CG1-CD2 3.45Å; V365-L374 VanDerWaalsContact CG1-CD2 3.45Å; A368-L374 HydrophobicContact CB-CD1 4.21Å; A368-L374 HydrophobicContact CB-CD2 3.59Å; A368-L374 HydrophobicContact CB-CG 4.12Å; L374-L376 HydrophobicContact CB-CD2 4.39Å
375G92.9Very high91.1Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-93.9115.816600000110.5V324 A354 L355V324-G375 VanDerWaalsContact CG1-CA 3.4Å; A354-G375 WeakPolarHBondContact CA-O 2.96Å; L355-G375 PolarHBondContact N-O 3.28Å; L355-G375 PolarHBondContact O-N 2.86Å
376L92.5Very high91.3Very high3 Ų331.3 Ų31.32%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-101.7129.7175.8-54.3-173.4000110.3V324 A325 M327 I351 A354 L374 N378 I382 F388V324-L376 CarbonylContact C-O 3.47Å; V324-L376 WeakPolarHBondContact CA-O 3.44Å; A325-L376 HydrophobicContact CB-CB 4.42Å; A325-L376 PolarHBondContact N-O 3.46Å; A325-L376 PolarHBondContact O-N 2.95Å; M327-L376 HydrophobicContact CB-CD1 4.34Å; M327-L376 HydrophobicContact CB-CG 4.45Å; M327-L376 HydrophobicContact CE-CD1 3.83Å; M327-L376 HydrophobicContact CE-CD2 4.16Å; M327-L376 HydrophobicContact CE-CG 4.23Å; M327-L376 HydrophobicContact SD-CD1 3.93Å; I351-L376 HydrophobicContact CD1-CD1 4.41Å; I351-L376 HydrophobicContact CG2-CD2 3.59Å; A354-L376 HydrophobicContact CB-CD2 4.13Å; L374-L376 HydrophobicContact CB-CD2 4.39Å; L376-N378 PolarHBondContact O-N 2.7Å; L376-I382 HydrophobicContact CB-CD1 4.13Å; L376-I382 HydrophobicContact CD1-CD1 4.35Å; L376-F388 HydrophobicContact CD1-CE2 4.33Å; L376-F388 HydrophobicContact CD1-CZ 4.38Å
377H89.1Confident91.5Very high62 Ų6226.3 Ų26.329%0.28714%0.138SC..EExtended strand (participates in β ladder)trans-58.8125.6170.8-73.9-80.1000110.5D322 D353D322-H377 IonicContact OD2-CE1 3.51Å; D353-H377 PolarHBondContact O-CD2 3.25Å
378N86.8Confident91.7Very high3 Ų322 Ų222%0.01612%0.117CC..  trans-111.7111.7-176.2-173.87.9000111.5R323 A325 L376 G380 T381 I382R323-N378 HydrophobicContact CB-CB 3.89Å; R323-N378 WeakPolarHBondContact CB-O 3.46Å; R323-N378 PolarHBondContact NE-O 3.24Å; R323-N378 PolarHBondContact O-N 3.09Å; A325-N378 HydrophobicContact CB-CB 4.31Å; L376-N378 PolarHBondContact O-N 2.7Å; N378-G380 PolarHBondContact O-N 2.87Å; N378-G380 WeakPolarHBondContact OD1-CA 3.44Å; N378-G380 PolarHBondContact OD1-N 2.91Å; N378-T381 PolarHBondContact OD1-N 3.43Å; N378-I382 HydrophobicContact CB-CB 4.44Å; N378-I382 HydrophobicContact CB-CD1 4.47Å; N378-I382 PolarHBondContact ND2-O 3.05Å; N378-I382 PolarHBondContact OD1-N 2.98Å; N378-I382 VanDerWaalsContact OD1-N 3.09Å
379H81.7Confident91.8Very high152 Ų15221.9 Ų21.970%0.70412%0.117SC*.SBendtrans-8712.8175-60.9-66000113.7R323R323-H379 PolarHBondContact NH2-O 3.19Å
380G80.7Confident91.8Very high29 Ų2925.1 Ų25.130%0.29913%0.133SC..SBendtrans97.79.7-178.200000113.1N378N378-G380 PolarHBondContact O-N 2.87Å; N378-G380 WeakPolarHBondContact OD1-CA 3.44Å; N378-G380 PolarHBondContact OD1-N 2.91Å
381T86Confident91.5Very high85 Ų8527.2 Ų27.252%0.52116%0.155SC..  trans-97.9-21.4179.252.30000112.6Q342 R344 N378Q342-T381 PolarHBondContact NE2-O 3.23Å; R344-T381 PolarHBondContact NH2-O 3.26Å; N378-T381 PolarHBondContact OD1-N 3.43Å
382I90.8Very high91.5Very high11 Ų1130.2 Ų30.26%0.05617%0.169CC..  trans-95.1133.1-179.7-51.1179.4000108.9V309 I312 A325 L376 N378 D386 F388V309-I382 HydrophobicContact CB-CG2 4.34Å; V309-I382 HydrophobicContact CG1-CG2 4.21Å; V309-I382 HydrophobicContact CG2-CG2 3.69Å; I312-I382 VanDerWaalsContact CD1-O 3.24Å; I312-I382 WeakPolarHBondContact CD1-O 3.49Å; A325-I382 HydrophobicContact CB-CB 4.2Å; A325-I382 HydrophobicContact CB-CD1 4.17Å; A325-I382 HydrophobicContact CB-CG2 3.67Å; L376-I382 HydrophobicContact CB-CD1 4.13Å; L376-I382 HydrophobicContact CD1-CD1 4.35Å; N378-I382 HydrophobicContact CB-CB 4.44Å; N378-I382 HydrophobicContact CB-CD1 4.47Å; N378-I382 PolarHBondContact ND2-O 3.05Å; N378-I382 PolarHBondContact OD1-N 2.98Å; N378-I382 VanDerWaalsContact OD1-N 3.09Å; I382-D386 WeakPolarHBondContact CA-OD2 3.49Å; I382-D386 HydrophobicContact CG2-CB 4.29Å; I382-F388 HydrophobicContact CD1-CZ 4.04Å; I382-F388 HydrophobicContact CG1-CZ 4.12Å; I382-F388 HydrophobicContact CG2-CE2 4.19Å; I382-F388 HydrophobicContact CG2-CZ 4.3Å
383Q88.7Confident91.5Very high49 Ų4934.6 Ų34.623%0.22919%0.19CC..  trans-119.2158.2177.3-66.5-180-10.500110.3D386Q383-D386 PolarHBondContact N-OD2 2.87Å; Q383-D386 VanDerWaalsContact O-CB 3.25Å; Q383-D386 WeakPolarHBondContact O-CB 3.37Å; Q383-D386 PolarHBondContact O-N 3.43Å; Q383-D386 VanDerWaalsContact O-N 3.11Å
384I88.5Confident91.5Very high9 Ų934.4 Ų34.45%0.04619%0.189CC..THydrogen-bonded Turntrans-61.7136.9169.7-64.7173.5000108.3I312 D386 I399 E430 H538I312-I384 HydrophobicContact CB-CG1 4.44Å; I312-I384 HydrophobicContact CD1-CG1 3.98Å; I312-I384 HydrophobicContact CG1-CG1 3.92Å; I384-D386 VanDerWaalsContact C-N 3.34Å; I384-I399 HydrophobicContact CG2-CG2 3.92Å; I384-E430 WeakPolarHBondContact CD1-O 3.49Å; I384-H538 PolarHBondContact O-ND1 3.25Å
385G89.9Confident91.4Very high4 Ų437.2 Ų37.24%0.04120%0.201CC..THydrogen-bonded Turntrans89.2-10.2-172.100000114.8V309 T387V309-G385 PolarHBondContact O-N 3.39Å; G385-T387 PolarHBondContact O-N 3.48Å
386D93.5Very high91.4Very high4 Ų437.5 Ų37.52%0.02120%0.202CC..  trans-61.4128.5178.4-83.8-17.5000111.4F308 V309 Q342 R344 I382 Q383 I384 F388F308-D386 CarbonylContact C-O 3.56Å; F308-D386 VanDerWaalsContact CA-O 3.31Å; F308-D386 WeakPolarHBondContact CA-O 3.44Å; V309-D386 HydrophobicContact CB-CB 4.47Å; V309-D386 HydrophobicContact CG2-CB 4.38Å; V309-D386 PolarHBondContact N-O 2.92Å; Q342-D386 PolarHBondContact NE2-OD2 3.44Å; R344-D386 WeakPolarHBondContact CB-OD1 3.49Å; R344-D386 WeakPolarHBondContact CD-OD1 3.46Å; R344-D386 IonicContact CZ-OD1 3.94Å; R344-D386 IonicContact CZ-OD2 3.36Å; R344-D386 IonicContact NE-OD1 3.72Å; R344-D386 PolarHBondContact NE-OD1 3.47Å; R344-D386 IonicContact NE-OD2 3.25Å; R344-D386 IonicContact NH2-OD1 3.87Å; R344-D386 PolarHBondContact NH2-OD1 3.36Å; R344-D386 IonicContact NH2-OD2 2.76Å; R344-D386 PolarHBondContact NH2-OD2 3.42Å; I382-D386 WeakPolarHBondContact CA-OD2 3.49Å; I382-D386 HydrophobicContact CG2-CB 4.29Å; Q383-D386 PolarHBondContact N-OD2 2.87Å; Q383-D386 VanDerWaalsContact O-CB 3.25Å; Q383-D386 WeakPolarHBondContact O-CB 3.37Å; Q383-D386 PolarHBondContact O-N 3.43Å; Q383-D386 VanDerWaalsContact O-N 3.11Å; I384-D386 VanDerWaalsContact C-N 3.34Å; D386-F388 HydrophobicContact CB-CE2 4.1Å
387T97Very high91.2Very high3 Ų340.2 Ų40.22%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-100134.5174.8-61.50000110G307 V343 G385 T389 M394 F396G307-T387 WeakPolarHBondContact O-CA 3.3Å; V343-T387 HydrophobicContact CG2-CG2 4.16Å; V343-T387 WeakPolarHBondContact CG2-O 3.24Å; V343-T387 PolarHBondContact N-O 3.04Å; G385-T387 PolarHBondContact O-N 3.48Å; T387-T389 HydrophobicContact CG2-CG2 3.86Å; T387-M394 VanDerWaalsContact CG2-O 3.32Å; T387-M394 WeakPolarHBondContact CG2-O 3.43Å; T387-F396 HydrophobicContact CG2-CD2 3.55Å; T387-F396 HydrophobicContact CG2-CE2 3.77Å; T387-F396 PolarHBondContact OG1-N 2.71Å; T387-F396 VanDerWaalsContact OG1-N 3.11Å
388F97.9Very high90.8Very high1 Ų139 Ų390%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-114.3130.7174.4-70.7-95.6000109.8F305 T306 G307 V309 M327 L340 R341 Q342 L376 I382 D386F305-F388 HydrophobicContact CE1-CB 4.36Å; T306-F388 CarbonylContact C-O 3.58Å; T306-F388 VanDerWaalsContact CA-O 3.29Å; T306-F388 WeakPolarHBondContact CA-O 3.26Å; G307-F388 PolarHBondContact N-O 2.93Å; G307-F388 PolarHBondContact O-N 3.29Å; V309-F388 HydrophobicContact CG2-CD2 4.31Å; V309-F388 HydrophobicContact CG2-CE2 3.83Å; M327-F388 HydrophobicContact SD-CB 3.96Å; M327-F388 HydrophobicContact SD-CD2 3.73Å; M327-F388 HydrophobicContact SD-CG 4.03Å; L340-F388 HydrophobicContact CB-CB 4.38Å; L340-F388 HydrophobicContact CB-CD1 4.11Å; L340-F388 HydrophobicContact CD1-CB 4.16Å; R341-F388 VanDerWaalsContact O-CA 3.31Å; R341-F388 WeakPolarHBondContact O-CA 3.31Å; Q342-F388 HydrophobicContact CB-CD1 4.25Å; Q342-F388 HydrophobicContact CB-CE1 3.82Å; Q342-F388 HydrophobicContact CB-CZ 4.29Å; Q342-F388 HydrophobicContact CG-CE1 4.1Å; Q342-F388 HydrophobicContact CG-CZ 4.05Å; L376-F388 HydrophobicContact CD1-CE2 4.33Å; L376-F388 HydrophobicContact CD1-CZ 4.38Å; I382-F388 HydrophobicContact CD1-CZ 4.04Å; I382-F388 HydrophobicContact CG1-CZ 4.12Å; I382-F388 HydrophobicContact CG2-CE2 4.19Å; I382-F388 HydrophobicContact CG2-CZ 4.3Å; D386-F388 HydrophobicContact CB-CE2 4.1Å
389T97.9Very high90.5Very high1 Ų139.3 Ų39.31%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-138171.6-179.169.20000111.5F305 T306 L340 R341 V343 T387 G391 E392 M394F305-T389 CarbonylContact O-C 3.58Å; F305-T389 WeakPolarHBondContact O-CA 3.4Å; T306-T389 HydrophobicContact CG2-CG2 4.32Å; L340-T389 CarbonylContact C-O 3.59Å; L340-T389 WeakPolarHBondContact CA-O 3.32Å; R341-T389 PolarHBondContact N-O 3.48Å; R341-T389 PolarHBondContact O-N 2.69Å; V343-T389 HydrophobicContact CG2-CG2 3.89Å; T387-T389 HydrophobicContact CG2-CG2 3.86Å; T389-G391 PolarHBondContact O-N 3.05Å; T389-G391 PolarHBondContact OG1-N 3.32Å; T389-G391 VanDerWaalsContact OG1-N 3.16Å; T389-E392 WeakPolarHBondContact CB-O 3.32Å; T389-E392 WeakPolarHBondContact CG2-O 3.47Å; T389-E392 PolarHBondContact OG1-N 2.8Å; T389-E392 PolarHBondContact OG1-O 3.49Å; T389-M394 HydrophobicContact CG2-CE 3.99Å; T389-M394 HydrophobicContact CG2-CG 4.23Å
390Q96.1Very high90Very high98 Ų9833.4 Ų33.446%0.45820%0.2SC..SBendtrans-84.545.9164-68.7-178.6-63.500112.8K304 F305 M338 L340K304-Q390 VanDerWaalsContact CA-OE1 3.22Å; F305-Q390 HydrophobicContact CB-CG 3.96Å; F305-Q390 PolarHBondContact O-N 2.68Å; M338-Q390 HydrophobicContact CE-CG 4.22Å; L340-Q390 HydrophobicContact CD2-CG 4.03Å
391G92.2Very high89.5Confident44 Ų4432.7 Ų32.745%0.45419%0.19SC..SBendtrans101.3-9.1171.100000115.8T389T389-G391 PolarHBondContact O-N 3.05Å; T389-G391 PolarHBondContact OG1-N 3.32Å; T389-G391 VanDerWaalsContact OG1-N 3.16Å
392E95.1Very high88.7Confident63 Ų6332 Ų3229%0.29418%0.179SC..  trans-69.5132.8172.2-172170.7-169.700110.5R296 T389 M394R296-E392 IonicContact CZ-OE1 3.85Å; R296-E392 IonicContact CZ-OE2 3.97Å; R296-E392 IonicContact NE-OE1 3.42Å; R296-E392 PolarHBondContact NE-OE1 3.01Å; R296-E392 IonicContact NE-OE2 3.04Å; R296-E392 IonicContact NH2-OE1 3.72Å; R296-E392 PolarHBondContact NH2-OE1 2.69Å; R296-E392 IonicContact NH2-OE2 3.48Å; R296-E392 PolarHBondContact NH2-OE2 3.16Å; T389-E392 WeakPolarHBondContact CB-O 3.32Å; T389-E392 WeakPolarHBondContact CG2-O 3.47Å; T389-E392 PolarHBondContact OG1-N 2.8Å; T389-E392 PolarHBondContact OG1-O 3.49Å; E392-M394 VanDerWaalsContact CD-SD 3.58Å; E392-M394 HydrophobicContact CG-CB 4.49Å; E392-M394 HydrophobicContact CG-CE 4.48Å; E392-M394 HydrophobicContact CG-CG 4.12Å; E392-M394 HydrophobicContact CG-SD 4.07Å; E392-M394 PolarHBondContact O-N 3.14Å
393M94.9Very high87.8Confident101 Ų10132.4 Ų32.450%0.49819%0.185SC..  trans-94.385.9179.8-65.5-63.8-63.800109.3R341 V343 A346R341-M393 HydrophobicContact CG-SD 4.33Å; V343-M393 HydrophobicContact CG1-CE 3.88Å; V343-M393 HydrophobicContact CG1-SD 4.24Å; A346-M393 HydrophobicContact CB-CE 4.39Å
394M95.2Very high87.5Confident0 Ų030.2 Ų30.20%018%0.175CC..  trans-144.3162.4176.965.9-179.6177.600110T293 T295 R296 V298 T306 V343 T387 T389 E392T293-M394 HydrophobicContact CG2-CG 4.32Å; T293-M394 HydrophobicContact CG2-SD 3.97Å; T295-M394 VanDerWaalsContact OG1-CB 3.31Å; T295-M394 WeakPolarHBondContact OG1-CB 3.45Å; R296-M394 HydrophobicContact CG-SD 4.46Å; V298-M394 HydrophobicContact CG2-CE 3.56Å; V298-M394 HydrophobicContact CG2-SD 3.73Å; T306-M394 HydrophobicContact CG2-CE 3.27Å; V343-M394 WeakPolarHBondContact CG1-O 3.21Å; V343-M394 WeakPolarHBondContact CG2-O 3.29Å; T387-M394 VanDerWaalsContact CG2-O 3.32Å; T387-M394 WeakPolarHBondContact CG2-O 3.43Å; T389-M394 HydrophobicContact CG2-CE 3.99Å; T389-M394 HydrophobicContact CG2-CG 4.23Å; E392-M394 VanDerWaalsContact CD-SD 3.58Å; E392-M394 HydrophobicContact CG-CB 4.49Å; E392-M394 HydrophobicContact CG-CE 4.48Å; E392-M394 HydrophobicContact CG-CG 4.12Å; E392-M394 HydrophobicContact CG-SD 4.07Å; E392-M394 PolarHBondContact O-N 3.14Å
395K92.4Very high87.2Confident60 Ų6036.7 Ų36.726%0.26121%0.205SC..  trans-139.9124.3-171.3179-174.1164.6-164.20110.6T293 D294 T397 H538T293-K395 CarbonylContact C-O 3.55Å; T293-K395 WeakPolarHBondContact CA-O 3.43Å; T293-K395 WeakPolarHBondContact CB-O 3.25Å; D294-K395 PolarHBondContact N-O 2.61Å; D294-K395 PolarHBondContact OD1-N 2.68Å; K395-T397 PolarHBondContact O-N 3.29Å; K395-H538 WeakPolarHBondContact CE-O 3.31Å; K395-H538 WeakPolarHBondContact CE-OXT 3.43Å; K395-H538 PolarHBondContact NZ-O 3.07Å; K395-H538 PolarHBondContact NZ-OXT 2.99Å
396F93.1Very high87.2Confident5 Ų538.9 Ų38.92%0.02222%0.215CC..BIsolated β-bridgetrans-64.8134.9175.6-70.9-76.5000110.8R291 T293 V298 F308 V330 T387R291-F396 HydrophobicContact CB-CD1 3.77Å; R291-F396 HydrophobicContact CB-CE1 3.62Å; T293-F396 HydrophobicContact CG2-CD1 3.63Å; T293-F396 HydrophobicContact CG2-CE1 3.66Å; T293-F396 HydrophobicContact CG2-CG 4.16Å; T293-F396 HydrophobicContact CG2-CZ 4.25Å; V298-F396 HydrophobicContact CB-CE1 4.05Å; V298-F396 HydrophobicContact CB-CZ 4.21Å; V298-F396 HydrophobicContact CG1-CZ 4.41Å; V298-F396 HydrophobicContact CG2-CE1 3.97Å; V298-F396 HydrophobicContact CG2-CZ 4.03Å; F308-F396 HydrophobicContact CB-CB 4Å; F308-F396 HydrophobicContact CB-CD2 3.69Å; F308-F396 HydrophobicContact CB-CG 4.09Å; F308-F396 HydrophobicContact CD1-CB 4.11Å; F308-F396 HydrophobicContact CD1-CD1 4.27Å; F308-F396 AromaticContact CD1-CD2 3.89Å; F308-F396 HydrophobicContact CD1-CD2 3.89Å; F308-F396 HydrophobicContact CD1-CE2 4.37Å; F308-F396 AromaticContact CD1-CG 3.81Å; F308-F396 HydrophobicContact CD1-CG 3.81Å; F308-F396 HydrophobicContact CG-CB 4.15Å; F308-F396 HydrophobicContact CG-CD2 4.22Å; F308-F396 HydrophobicContact CG-CG 4.24Å; V330-F396 HydrophobicContact CB-CE1 4.24Å; V330-F396 HydrophobicContact CB-CZ 3.79Å; V330-F396 HydrophobicContact CG1-CE1 3.86Å; V330-F396 HydrophobicContact CG1-CZ 3.81Å; V330-F396 HydrophobicContact CG2-CE1 4.02Å; V330-F396 HydrophobicContact CG2-CE2 4.24Å; V330-F396 HydrophobicContact CG2-CZ 3.76Å; T387-F396 HydrophobicContact CG2-CD2 3.55Å; T387-F396 HydrophobicContact CG2-CE2 3.77Å; T387-F396 PolarHBondContact OG1-N 2.71Å; T387-F396 VanDerWaalsContact OG1-N 3.11Å
397T88.7Confident87.3Confident61 Ų6139 Ų3937%0.37422%0.216SC..  trans-103.4172.7-176.256.10000111.4Q292 D294 K395 I399Q292-T397 PolarHBondContact O-N 3.08Å; Q292-T397 PolarHBondContact O-OG1 2.9Å; D294-T397 HydrophobicContact CB-CG2 4.25Å; K395-T397 PolarHBondContact O-N 3.29Å; T397-I399 PolarHBondContact O-N 3.01Å
398G80.6Confident87.2Confident36 Ų3643.2 Ų43.237%0.37123%0.231SC..  trans80.211.6174.200000115.2R142 P400R142-G398 PolarHBondContact NH2-O 2.88Å; G398-P400 VanDerWaalsContact O-CD 3.31Å; G398-P400 WeakPolarHBondContact O-CD 3.35Å
399I79.5Confident87Confident10 Ų1046.8 Ų46.85%0.05125%0.245CC..  trans-86.7106.9173.7-58.9167.4000108.2R110 T113 F308 I384 T397R110-I399 HydrophobicContact CG-CG2 4.39Å; T113-I399 HydrophobicContact CG2-CG1 4.24Å; F308-I399 HydrophobicContact CB-CD1 4.32Å; F308-I399 HydrophobicContact CD2-CD1 3.53Å; F308-I399 HydrophobicContact CD2-CG1 4.32Å; F308-I399 HydrophobicContact CE2-CD1 4.15Å; F308-I399 HydrophobicContact CE2-CG1 4.47Å; F308-I399 HydrophobicContact CG-CD1 4.17Å; I384-I399 HydrophobicContact CG2-CG2 3.92Å; T397-I399 PolarHBondContact O-N 3.01Å
400P71.3Confident86.8Confident28 Ų2847 Ų4718%0.18225%0.246CC..  trans-78.6146.5-167.732.8-35.8000112.4R110 G398 F402R110-P400 HydrophobicContact CG-CG 4.29Å; R110-P400 PolarHBondContact NE-O 2.68Å; G398-P400 VanDerWaalsContact O-CD 3.31Å; G398-P400 WeakPolarHBondContact O-CD 3.35Å; P400-F402 HydrophobicContact CB-CD2 4.44Å; P400-F402 HydrophobicContact CB-CE2 3.56Å; P400-F402 HydrophobicContact CB-CZ 3.75Å; P400-F402 HydrophobicContact CG-CE2 3.88Å; P400-F402 HydrophobicContact CG-CZ 4.26Å
401N70.6Confident86.4Confident14 Ų1448.1 Ų48.18%0.07525%0.246CC..  trans-132.2119.7167.8-171.6-9.2000108.9E106 Q435 T535 R536 H538E106-N401 WeakPolarHBondContact OE1-CA 3Å; E106-N401 PolarHBondContact OE1-OD1 3.34Å; N401-Q435 PolarHBondContact OD1-NE2 3.38Å; N401-T535 WeakPolarHBondContact O-CA 3.28Å; N401-T535 WeakPolarHBondContact O-CB 3.4Å; N401-T535 VanDerWaalsContact O-CG2 3.27Å; N401-T535 WeakPolarHBondContact O-CG2 3.48Å; N401-R536 WeakPolarHBondContact CB-O 3.44Å; N401-H538 PolarHBondContact ND2-NE2 3.43Å; N401-H538 VanDerWaalsContact ND2-NE2 3.16Å
402F70.1Confident86.2Confident69 Ų6946.8 Ų46.830%0.30323%0.228SC..PPolyproline II helixtrans-97.7142.1-172-64.7-87.6000111.8E106 Y109 P400 Q435E106-F402 HydrophobicContact CB-CD2 3.99Å; E106-F402 HydrophobicContact CG-CD2 3.82Å; E106-F402 HydrophobicContact CG-CE2 4.39Å; E106-F402 PolarHBondContact OE1-N 3.09Å; Y109-F402 HydrophobicContact CD2-CE1 4.37Å; Y109-F402 AromaticContact CD2-CE2 3.49Å; Y109-F402 HydrophobicContact CD2-CE2 3.49Å; Y109-F402 VanDerWaalsContact CD2-CE2 3.49Å; Y109-F402 AromaticContact CD2-CZ 3.4Å; Y109-F402 HydrophobicContact CD2-CZ 3.4Å; Y109-F402 VanDerWaalsContact CD2-CZ 3.4Å; Y109-F402 HydrophobicContact CE2-CE1 4.49Å; Y109-F402 HydrophobicContact CE2-CE2 4.27Å; Y109-F402 AromaticContact CE2-CZ 3.92Å; Y109-F402 HydrophobicContact CE2-CZ 3.92Å; Y109-F402 HydrophobicContact CG-CE2 4.42Å; Y109-F402 HydrophobicContact CG-CZ 4.45Å; P400-F402 HydrophobicContact CB-CD2 4.44Å; P400-F402 HydrophobicContact CB-CE2 3.56Å; P400-F402 HydrophobicContact CB-CZ 3.75Å; P400-F402 HydrophobicContact CG-CE2 3.88Å; P400-F402 HydrophobicContact CG-CZ 4.26Å; F402-Q435 PolarHBondContact O-NE2 2.86Å
403A71.4Confident85.7Confident21 Ų2149.8 Ų49.817%0.17424%0.24CC..PPolyproline II helixtrans-66137.5167.100000110.4W482 Q534A403-W482 HydrophobicContact CB-CZ3 4.45Å; A403-Q534 WeakPolarHBondContact CB-O 3.43Å; A403-Q534 PolarHBondContact N-O 2.7Å
404P81.4Confident85.1Confident3 Ų347.9 Ų47.92%0.01923%0.232CC..PPolyproline II helixtrans-69.8147.5173.823.1-24.7000111F407 Q435 F437 G448 A449P404-F407 HydrophobicContact CB-CE1 4.28Å; P404-F407 HydrophobicContact CB-CZ 4.09Å; P404-F407 HydrophobicContact CG-CE1 3.69Å; P404-F407 HydrophobicContact CG-CZ 3.68Å; P404-F407 WeakPolarHBondContact O-CE2 3.3Å; P404-F407 VanDerWaalsContact O-CZ 3.27Å; P404-F407 WeakPolarHBondContact O-CZ 3.44Å; P404-Q435 VanDerWaalsContact CD-OE1 3.3Å; P404-Q435 HydrophobicContact CG-CB 4.3Å; P404-F437 HydrophobicContact CG-CE2 3.79Å; P404-F437 HydrophobicContact CG-CZ 4.07Å; P404-G448 VanDerWaalsContact CB-CA 3.47Å; P404-A449 VanDerWaalsContact CB-N 3.34Å
405E82.8Confident84.4Confident145 Ų14552.9 Ų52.968%0.67826%0.264SS*.SBendtrans-102.5-28.7179-61.3-169167.100111.9A449E405-A449 PolarHBondContact N-O 3.07Å
406L90.6Very high84Confident50 Ų5057.5 Ų57.526%0.26229%0.291SS..EExtended strand (participates in β ladder)trans-110132.8-178.3-58.7175.3000109.8G448 A449 V452 F455L406-G448 CarbonylContact O-C 3.43Å; L406-G448 VanDerWaalsContact O-CA 3.26Å; L406-G448 WeakPolarHBondContact O-CA 3.32Å; L406-A449 PolarHBondContact N-O 3.38Å; L406-A449 PolarHBondContact O-N 2.87Å; L406-V452 HydrophobicContact CD1-CG2 3.65Å; L406-F455 HydrophobicContact CB-CE2 3.83Å; L406-F455 HydrophobicContact CB-CZ 4.04Å; L406-F455 HydrophobicContact CD1-CE2 4.44Å
407F94.3Very high83.6Confident6 Ų659.5 Ų59.53%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-124.8139.7178.7-61.2-93.3000110.9P404 F437 I446 V447 V475 V477 A480P404-F407 HydrophobicContact CB-CE1 4.28Å; P404-F407 HydrophobicContact CB-CZ 4.09Å; P404-F407 HydrophobicContact CG-CE1 3.69Å; P404-F407 HydrophobicContact CG-CZ 3.68Å; P404-F407 WeakPolarHBondContact O-CE2 3.3Å; P404-F407 VanDerWaalsContact O-CZ 3.27Å; P404-F407 WeakPolarHBondContact O-CZ 3.44Å; F407-F437 HydrophobicContact CE1-CD2 4.31Å; F407-F437 AromaticContact CE1-CE2 3.92Å; F407-F437 HydrophobicContact CE1-CE2 3.92Å; F407-I446 HydrophobicContact CB-CG2 4.35Å; F407-I446 HydrophobicContact CD1-CG2 4.04Å; F407-V447 WeakPolarHBondContact CA-O 3.36Å; F407-V475 HydrophobicContact CB-CG1 3.76Å; F407-V477 HydrophobicContact CB-CB 3.77Å; F407-V477 HydrophobicContact CB-CG1 4.06Å; F407-V477 HydrophobicContact CD1-CB 4.26Å; F407-V477 HydrophobicContact CD1-CG1 3.63Å; F407-V477 HydrophobicContact CD2-CB 4.13Å; F407-V477 HydrophobicContact CD2-CG1 3.64Å; F407-V477 HydrophobicContact CE1-CG1 3.91Å; F407-V477 HydrophobicContact CE2-CG1 3.97Å; F407-V477 HydrophobicContact CG-CB 3.78Å; F407-V477 HydrophobicContact CG-CG1 3.47Å; F407-V477 VanDerWaalsContact CG-CG1 3.47Å; F407-V477 HydrophobicContact CZ-CG1 4.08Å; F407-A480 HydrophobicContact CE1-CB 3.96Å; F407-A480 HydrophobicContact CZ-CB 3.96Å
408R94.8Very high83.5Confident91 Ų9160.9 Ų60.934%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-138.8145.6172.9-65.6-66.2-177.1-93.90.2109.6I446 V447 F455 Y472R408-I446 WeakPolarHBondContact O-CA 3.3Å; R408-V447 HydrophobicContact CB-CG2 4.03Å; R408-V447 PolarHBondContact N-O 3.24Å; R408-V447 WeakPolarHBondContact O-CG2 3.49Å; R408-V447 PolarHBondContact O-N 2.97Å; R408-F455 HydrophobicContact CB-CE1 4.14Å; R408-F455 HydrophobicContact CB-CZ 4.18Å; R408-F455 HydrophobicContact CG-CD1 4.44Å; R408-F455 HydrophobicContact CG-CD2 4.17Å; R408-F455 HydrophobicContact CG-CE1 4.08Å; R408-F455 HydrophobicContact CG-CE2 3.76Å; R408-F455 HydrophobicContact CG-CG 4.5Å; R408-F455 HydrophobicContact CG-CZ 3.71Å; R408-Y472 HydrophobicContact CB-CD1 3.68Å; R408-Y472 HydrophobicContact CB-CE1 4.44Å; R408-Y472 HydrophobicContact CB-CG 4.12Å; R408-Y472 HydrophobicContact CG-CD1 4.43Å; R408-Y472 HydrophobicContact CG-CG 4.45Å
409R93.9Very high83.8Confident77 Ų7768 Ų6829%0.29132%0.323SS..EExtended strand (participates in β ladder)trans-82.2133.5165.2-179.1169.871.91802.8108.3D444 L445 Y472 E473 V475R409-D444 VanDerWaalsContact CD-CG 3.43Å; R409-D444 WeakPolarHBondContact CD-OD2 2.84Å; R409-D444 HydrophobicContact CG-CB 4.45Å; R409-D444 IonicContact CZ-OD2 3.02Å; R409-D444 IonicContact NE-OD2 2.76Å; R409-D444 IonicContact NH1-OD1 2.66Å; R409-D444 IonicContact NH1-OD2 2.75Å; R409-D444 PolarHBondContact NH1-OD2 2.79Å; R409-L445 WeakPolarHBondContact CA-O 3.28Å; R409-Y472 CarbonylContact O-C 3.59Å; R409-Y472 WeakPolarHBondContact O-CA 3.38Å; R409-E473 HydrophobicContact CB-CB 4.47Å; R409-E473 IonicContact CZ-OE2 3.03Å; R409-E473 VanDerWaalsContact CZ-OE2 3.26Å; R409-E473 PolarHBondContact N-O 2.89Å; R409-E473 IonicContact NE-OE2 3.95Å; R409-E473 PolarHBondContact NE-OE2 3.5Å; R409-E473 IonicContact NH2-OE2 3.8Å; R409-E473 PolarHBondContact NH2-OE2 3.06Å; R409-E473 PolarHBondContact O-N 3.4Å; R409-V475 HydrophobicContact CB-CB 4.16Å; R409-V475 HydrophobicContact CB-CG2 4.44Å
410I93Very high84.2Confident5 Ų571.9 Ų71.93%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-107.1129174.6-165.5172.3000110.2L421 L425 L445 V447 L462 A470 Y472I410-L421 HydrophobicContact CD1-CD1 4.11Å; I410-L425 HydrophobicContact CD1-CD1 4.44Å; I410-L425 HydrophobicContact CD1-CD2 3.94Å; I410-L425 HydrophobicContact CG2-CD1 3.52Å; I410-L425 HydrophobicContact CG2-CD2 4.41Å; I410-L445 HydrophobicContact CG2-CB 3.6Å; I410-L445 PolarHBondContact N-O 2.98Å; I410-V447 HydrophobicContact CG2-CG1 4.11Å; I410-L462 HydrophobicContact CD1-CD1 3.55Å; I410-A470 HydrophobicContact CD1-CB 3.67Å; I410-A470 HydrophobicContact CG1-CB 3.69Å; I410-Y472 HydrophobicContact CB-CD1 3.98Å; I410-Y472 HydrophobicContact CB-CE1 3.82Å; I410-Y472 HydrophobicContact CD1-CD1 4.45Å; I410-Y472 HydrophobicContact CD1-CE1 3.67Å; I410-Y472 HydrophobicContact CG1-CD1 4.08Å; I410-Y472 HydrophobicContact CG1-CE1 3.78Å
411R88.4Confident85Confident122 Ų12270.6 Ų70.646%0.4633%0.332SS..EExtended strand (participates in β ladder)trans-129.2153.4178.462.2175.6-80.4169.6-3.3111.1A470 V471 E473R411-A470 VanDerWaalsContact O-CA 3.29Å; R411-A470 WeakPolarHBondContact O-CA 3.4Å; R411-V471 HydrophobicContact CG-CG2 3.48Å; R411-V471 VanDerWaalsContact CG-CG2 3.48Å; R411-V471 PolarHBondContact N-O 3.38Å; R411-V471 PolarHBondContact O-N 2.95Å; R411-E473 WeakPolarHBondContact CD-OE1 3.48Å; R411-E473 HydrophobicContact CG-CG 4.5Å; R411-E473 IonicContact CZ-OE1 2.85Å; R411-E473 IonicContact NE-OE1 3.77Å; R411-E473 IonicContact NH1-OE1 3.26Å; R411-E473 PolarHBondContact NH1-OE1 3.47Å
412L88.5Confident85.7Confident16 Ų1673 Ų738%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-75.7145.6171.9-75.7171.3000111.7D414 K417 Q418 L421 V468L412-D414 WeakPolarHBondContact CB-O 3.46Å; L412-D414 WeakPolarHBondContact CD1-O 3.47Å; L412-K417 HydrophobicContact CD1-CB 4.25Å; L412-K417 HydrophobicContact CD2-CB 4.24Å; L412-Q418 VanDerWaalsContact CD1-CA 3.41Å; L412-Q418 HydrophobicContact CD1-CB 4.15Å; L412-L421 HydrophobicContact CD1-CB 4.22Å; L412-L421 HydrophobicContact CD1-CD2 4.3Å; L412-L421 HydrophobicContact CD2-CB 3.96Å; L412-L421 HydrophobicContact CD2-CD2 4.1Å; L412-L421 HydrophobicContact CD2-CG 4.42Å; L412-L421 HydrophobicContact CG-CB 4.2Å; L412-L421 HydrophobicContact CG-CD2 3.74Å; L412-V468 HydrophobicContact CD2-CG1 3.44Å; L412-V468 VanDerWaalsContact CD2-CG1 3.44Å
413K83.9Confident86.5Confident126 Ų12675 Ų7555%0.54835%0.353SS..SBendtrans-75.4-38.6158.7-65-170.8-169.6167.60111.6E469 V471K413-E469 HydrophobicContact CB-CB 4.45Å; K413-E469 HydrophobicContact CD-CB 4.08Å; K413-E469 HydrophobicContact CG-CB 4.4Å; K413-E469 PolarHBondContact N-O 2.97Å; K413-E469 IonicContact NZ-OE2 3.59Å; K413-E469 PolarHBondContact NZ-OE2 3.45Å; K413-V471 HydrophobicContact CD-CG1 4.28Å; K413-V471 VanDerWaalsContact CE-CG1 3.4Å; K413-V471 HydrophobicContact CG-CG1 3.98Å
414D82.5Confident87.2Confident60 Ų6074 Ų7432%0.32135%0.345SS..SBendtrans-109.8109.4178.2176.78000110.8L412 L416 K417L412-D414 WeakPolarHBondContact CB-O 3.46Å; L412-D414 WeakPolarHBondContact CD1-O 3.47Å; D414-L416 PolarHBondContact O-N 2.78Å; D414-L416 VanDerWaalsContact O-N 3.09Å; D414-L416 WeakPolarHBondContact OD1-CB 3.29Å; D414-L416 PolarHBondContact OD1-N 2.95Å; D414-K417 PolarHBondContact O-N 3Å
415P80Confident87.6Confident105 Ų10573.9 Ų73.968%0.68234%0.344SS*.G310 helixtrans-57.7-22.4-178.9-24.133.7000115K417P415-K417 PolarHBondContact O-N 3.39Å
416L84Confident87.6Confident158 Ų15868.5 Ų68.583%0.82732%0.322SS*.G310 helixtrans-68.7-14.7-176-64.3173.2000113.3D414D414-L416 PolarHBondContact O-N 2.78Å; D414-L416 VanDerWaalsContact O-N 3.09Å; D414-L416 WeakPolarHBondContact OD1-CB 3.29Å; D414-L416 PolarHBondContact OD1-N 2.95Å
417K86.4Confident87.3Confident47 Ų4766.7 Ų66.720%0.20431%0.311CS..G310 helixtrans-100.917-174.7-62.9-173.9178.2175.50114.8L412 D414 P415 K419 Q420 L421 N467 V468L412-K417 HydrophobicContact CD1-CB 4.25Å; L412-K417 HydrophobicContact CD2-CB 4.24Å; D414-K417 PolarHBondContact O-N 3Å; P415-K417 PolarHBondContact O-N 3.39Å; K417-K419 VanDerWaalsContact C-N 3.32Å; K417-K419 PolarHBondContact O-N 3.36Å; K417-Q420 HydrophobicContact CB-CB 4.47Å; K417-Q420 WeakPolarHBondContact O-CB 3.46Å; K417-Q420 PolarHBondContact O-N 2.88Å; K417-L421 PolarHBondContact O-N 3.31Å; K417-N467 VanDerWaalsContact CD-O 3.27Å; K417-N467 WeakPolarHBondContact CD-O 3.44Å; K417-N467 WeakPolarHBondContact CE-O 3.32Å; K417-N467 PolarHBondContact NZ-O 3.18Å; K417-V468 HydrophobicContact CB-CG2 4.34Å
418Q86Confident86.9Confident89 Ų8966.4 Ų66.442%0.41631%0.31SS..Hα-helixtrans-52.2-44.6-176.6-168.369.114.300113.6L412 Q420 L421 L422L412-Q418 VanDerWaalsContact CD1-CA 3.41Å; L412-Q418 HydrophobicContact CD1-CB 4.15Å; Q418-Q420 VanDerWaalsContact C-N 3.34Å; Q418-Q420 PolarHBondContact O-N 3.4Å; Q418-L421 PolarHBondContact O-N 3.28Å; Q418-L422 PolarHBondContact O-N 3.47Å
419K86.3Confident86.4Confident187 Ų18763.1 Ų63.181%0.81330%0.301SS*.Hα-helixtrans-65.6-35.8178.5-68.3-175.7178.6-179.70112.7K417 K423K417-K419 VanDerWaalsContact C-N 3.32Å; K417-K419 PolarHBondContact O-N 3.36Å; K419-K423 WeakPolarHBondContact O-CB 3.15Å; K419-K423 PolarHBondContact O-N 3.35Å
420Q87.9Confident85.7Confident90 Ų9061.6 Ų61.642%0.42130%0.297SS..Hα-helixtrans-72.6-39.4178.6-68175.7-14.800111.1K417 Q418 K423 G424 V468K417-Q420 HydrophobicContact CB-CB 4.47Å; K417-Q420 WeakPolarHBondContact O-CB 3.46Å; K417-Q420 PolarHBondContact O-N 2.88Å; Q418-Q420 VanDerWaalsContact C-N 3.34Å; Q418-Q420 PolarHBondContact O-N 3.4Å; Q420-K423 PolarHBondContact O-N 3.33Å; Q420-G424 PolarHBondContact O-N 3.22Å; Q420-V468 HydrophobicContact CB-CG2 3.63Å
421L87.7Confident85.1Confident1 Ų162.1 Ų62.11%0.00530%0.3CS..Hα-helixtrans-59.4-52.5173.3176.965.3000110.8I410 L412 K417 Q418 K423 G424 L425 L445 L462 V468 A470I410-L421 HydrophobicContact CD1-CD1 4.11Å; L412-L421 HydrophobicContact CD1-CB 4.22Å; L412-L421 HydrophobicContact CD1-CD2 4.3Å; L412-L421 HydrophobicContact CD2-CB 3.96Å; L412-L421 HydrophobicContact CD2-CD2 4.1Å; L412-L421 HydrophobicContact CD2-CG 4.42Å; L412-L421 HydrophobicContact CG-CB 4.2Å; L412-L421 HydrophobicContact CG-CD2 3.74Å; K417-L421 PolarHBondContact O-N 3.31Å; Q418-L421 PolarHBondContact O-N 3.28Å; L421-K423 VanDerWaalsContact C-N 3.32Å; L421-K423 PolarHBondContact O-N 2.89Å; L421-G424 PolarHBondContact O-N 3Å; L421-L425 HydrophobicContact CD1-CD1 3.74Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.34Å; L421-L425 HydrophobicContact CG-CD1 3.77Å; L421-L425 HydrophobicContact CG-CG 4.3Å; L421-L425 WeakPolarHBondContact O-CB 3.48Å; L421-L425 WeakPolarHBondContact O-CG 3.31Å; L421-L425 PolarHBondContact O-N 2.92Å; L421-L445 HydrophobicContact CD2-CD1 3.73Å; L421-L445 HydrophobicContact CG-CD1 4.16Å; L421-L462 HydrophobicContact CD1-CD1 3.75Å; L421-L462 HydrophobicContact CD1-CD2 4.14Å; L421-V468 HydrophobicContact CB-CG1 4.12Å; L421-V468 HydrophobicContact CD1-CG1 3.83Å; L421-A470 HydrophobicContact CD1-CB 4.19Å
422L86.1Confident84.6Confident65 Ų6556.9 Ų56.934%0.3428%0.284SS..Hα-helixtrans-59.3-45.9-179.3-178.564.3000111Q418 G424 L425 V426 L445Q418-L422 PolarHBondContact O-N 3.47Å; L422-G424 PolarHBondContact O-N 3.28Å; L422-L425 PolarHBondContact O-N 3.33Å; L422-V426 HydrophobicContact CD1-CG2 4.19Å; L422-V426 HydrophobicContact CG-CG2 4.5Å; L422-V426 WeakPolarHBondContact O-CB 3.08Å; L422-V426 VanDerWaalsContact O-CG2 3.28Å; L422-V426 WeakPolarHBondContact O-CG2 3.37Å; L422-V426 PolarHBondContact O-N 3.25Å; L422-L445 HydrophobicContact CD1-CD2 3.99Å
423K85.9Confident84Confident111 Ų11156.7 Ų56.748%0.48329%0.285SS..Hα-helixtrans-58.4-48.1176.1-178.1178.3177.1178.50111.8K419 Q420 L421 Q427K419-K423 WeakPolarHBondContact O-CB 3.15Å; K419-K423 PolarHBondContact O-N 3.35Å; Q420-K423 PolarHBondContact O-N 3.33Å; L421-K423 VanDerWaalsContact C-N 3.32Å; L421-K423 PolarHBondContact O-N 2.89Å; K423-Q427 WeakPolarHBondContact O-CB 3.17Å; K423-Q427 VanDerWaalsContact O-CG 3.3Å; K423-Q427 WeakPolarHBondContact O-CG 3.43Å; K423-Q427 PolarHBondContact O-N 2.98Å
424G87.4Confident84.2Confident0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-65.4-42.1-179.300000112.7Q420 L421 L422 Q427 L428 Y466Q420-G424 PolarHBondContact O-N 3.22Å; L421-G424 PolarHBondContact O-N 3Å; L422-G424 PolarHBondContact O-N 3.28Å; G424-Q427 PolarHBondContact O-N 2.89Å; G424-L428 WeakPolarHBondContact O-CB 3.45Å; G424-L428 WeakPolarHBondContact O-CG 3.41Å; G424-L428 PolarHBondContact O-N 2.78Å; G424-Y466 VanDerWaalsContact CA-CE1 3.48Å
425L88.6Confident84.5Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-64.3-45.3177-77.3175.4000112.6I410 L421 L422 Q427 L428 S429 V436 L445 V447 V458 L462I410-L425 HydrophobicContact CD1-CD1 4.44Å; I410-L425 HydrophobicContact CD1-CD2 3.94Å; I410-L425 HydrophobicContact CG2-CD1 3.52Å; I410-L425 HydrophobicContact CG2-CD2 4.41Å; L421-L425 HydrophobicContact CD1-CD1 3.74Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.34Å; L421-L425 HydrophobicContact CG-CD1 3.77Å; L421-L425 HydrophobicContact CG-CG 4.3Å; L421-L425 WeakPolarHBondContact O-CB 3.48Å; L421-L425 WeakPolarHBondContact O-CG 3.31Å; L421-L425 PolarHBondContact O-N 2.92Å; L422-L425 PolarHBondContact O-N 3.33Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 3.31Å; L425-L428 PolarHBondContact O-N 3.3Å; L425-S429 VanDerWaalsContact O-CB 3.26Å; L425-S429 WeakPolarHBondContact O-CB 3.35Å; L425-S429 PolarHBondContact O-N 3.36Å; L425-V436 HydrophobicContact CB-CG2 3.88Å; L425-V436 HydrophobicContact CD2-CG2 4.37Å; L425-V436 WeakPolarHBondContact O-CG2 3.39Å; L425-L445 HydrophobicContact CD1-CB 4.24Å; L425-L445 HydrophobicContact CD1-CD1 3.9Å; L425-V447 HydrophobicContact CD2-CG1 3.86Å; L425-V458 HydrophobicContact CD2-CG1 4.01Å; L425-L462 HydrophobicContact CD2-CD1 4.1Å; L425-L462 HydrophobicContact CG-CD1 4.49Å
426V84.1Confident85Confident33 Ų3344 Ų4420%0.222%0.216CC..Hα-helixtrans-60.1-45.6176.4171.50000110.1L422 S429 E430L422-V426 HydrophobicContact CD1-CG2 4.19Å; L422-V426 HydrophobicContact CG-CG2 4.5Å; L422-V426 WeakPolarHBondContact O-CB 3.08Å; L422-V426 VanDerWaalsContact O-CG2 3.28Å; L422-V426 WeakPolarHBondContact O-CG2 3.37Å; L422-V426 PolarHBondContact O-N 3.25Å; V426-S429 WeakPolarHBondContact O-CB 3.33Å; V426-S429 PolarHBondContact O-N 3.37Å; V426-S429 VanDerWaalsContact O-N 3.13Å; V426-E430 WeakPolarHBondContact O-CG 3.23Å; V426-E430 PolarHBondContact O-N 2.77Å
427Q84Confident85.4Confident11 Ų1136.4 Ų36.45%0.05118%0.177CC..Hα-helixtrans-64-44.5178.6-72.4-175.9-33.300112.6R323 K423 G424 L425 S429 E430 E431 Y466R323-Q427 VanDerWaalsContact NH1-NE2 3.11Å; K423-Q427 WeakPolarHBondContact O-CB 3.17Å; K423-Q427 VanDerWaalsContact O-CG 3.3Å; K423-Q427 WeakPolarHBondContact O-CG 3.43Å; K423-Q427 PolarHBondContact O-N 2.98Å; G424-Q427 PolarHBondContact O-N 2.89Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 3.31Å; Q427-S429 PolarHBondContact O-N 2.67Å; Q427-E430 PolarHBondContact O-N 2.79Å; Q427-E431 WeakPolarHBondContact O-CG 3.5Å; Q427-E431 PolarHBondContact O-N 3.42Å; Q427-Y466 WeakPolarHBondContact CB-OH 3.32Å; Q427-Y466 PolarHBondContact OE1-OH 2.89Å
428L84.9Confident85.7Confident0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-64.5-28.9174.7-68.8171000112.1G424 L425 A433 V458 R461 L462G424-L428 WeakPolarHBondContact O-CB 3.45Å; G424-L428 WeakPolarHBondContact O-CG 3.41Å; G424-L428 PolarHBondContact O-N 2.78Å; L425-L428 PolarHBondContact O-N 3.3Å; L428-A433 HydrophobicContact CB-CB 4.35Å; L428-A433 VanDerWaalsContact O-CB 3.29Å; L428-A433 WeakPolarHBondContact O-CB 3.19Å; L428-A433 PolarHBondContact O-N 2.79Å; L428-V458 HydrophobicContact CD1-CB 4.37Å; L428-V458 HydrophobicContact CD1-CG1 3.92Å; L428-V458 HydrophobicContact CD1-CG2 4.27Å; L428-R461 HydrophobicContact CD1-CB 4.29Å; L428-R461 HydrophobicContact CD2-CB 4.07Å; L428-R461 VanDerWaalsContact CD2-NH1 3.29Å; L428-L462 HydrophobicContact CD1-CD2 4.16Å; L428-L462 HydrophobicContact CD1-CG 4.03Å
429S84.5Confident86.1Confident22 Ų2233.8 Ų33.815%0.15416%0.164CC..Hα-helixtrans-74.5-39.5175.7-166.30000113.2L425 V426 Q427 E431 G432 V434 V436L425-S429 VanDerWaalsContact O-CB 3.26Å; L425-S429 WeakPolarHBondContact O-CB 3.35Å; L425-S429 PolarHBondContact O-N 3.36Å; V426-S429 WeakPolarHBondContact O-CB 3.33Å; V426-S429 PolarHBondContact O-N 3.37Å; V426-S429 VanDerWaalsContact O-N 3.13Å; Q427-S429 PolarHBondContact O-N 2.67Å; S429-E431 PolarHBondContact O-N 3.41Å; S429-G432 PolarHBondContact O-N 3.17Å; S429-V434 WeakPolarHBondContact CA-O 3.27Å; S429-V434 WeakPolarHBondContact CB-O 3.42Å; S429-V434 PolarHBondContact OG-O 3.19Å; S429-V436 PolarHBondContact OG-N 2.82Å
430E80.2Confident86.4Confident45 Ų4528.8 Ų28.821%0.2115%0.145CC..Hα-helixtrans-58.5-35.3172.2-71.8169.1176.800112R323 I384 V426 Q427 G432R323-E430 IonicContact NH1-OE2 2.67Å; R323-E430 PolarHBondContact NH1-OE2 3.36Å; I384-E430 WeakPolarHBondContact CD1-O 3.49Å; V426-E430 WeakPolarHBondContact O-CG 3.23Å; V426-E430 PolarHBondContact O-N 2.77Å; Q427-E430 PolarHBondContact O-N 2.79Å; E430-G432 PolarHBondContact O-N 2.91Å
431E79.3Confident86.5Confident16 Ų1627.4 Ų27.48%0.07515%0.145CC..THydrogen-bonded Turntrans-71.8-16.3174.7-65.3-177.9-13600113.8I312 A314 Q427 S429 R461I312-E431 HydrophobicContact CG2-CG 4.41Å; I312-E431 WeakPolarHBondContact O-CA 3.2Å; I312-E431 WeakPolarHBondContact O-CB 3.12Å; I312-E431 WeakPolarHBondContact O-CG 3.32Å; A314-E431 WeakPolarHBondContact CA-OE1 3.42Å; A314-E431 HydrophobicContact CB-CG 4.3Å; A314-E431 WeakPolarHBondContact CB-OE1 3.42Å; A314-E431 PolarHBondContact N-OE1 3.14Å; A314-E431 PolarHBondContact N-OE2 2.82Å; Q427-E431 WeakPolarHBondContact O-CG 3.5Å; Q427-E431 PolarHBondContact O-N 3.42Å; S429-E431 PolarHBondContact O-N 3.41Å; E431-R461 VanDerWaalsContact CD-NH1 3.34Å; E431-R461 IonicContact OE1-CZ 2.82Å; E431-R461 IonicContact OE1-NH1 2.75Å; E431-R461 PolarHBondContact OE1-NH1 3.16Å; E431-R461 IonicContact OE1-NH2 2.86Å; E431-R461 PolarHBondContact OE1-NH2 2.87Å; E431-R461 IonicContact OE2-CZ 3.47Å; E431-R461 IonicContact OE2-NH1 3.87Å; E431-R461 PolarHBondContact OE2-NH1 3.39Å; E431-R461 IonicContact OE2-NH2 3.74Å; E431-R461 PolarHBondContact OE2-NH2 3.01Å
432G77.7Confident86.6Confident13 Ų1330.6 Ų30.613%0.13416%0.162CC..THydrogen-bonded Turntrans80.616.7-171.200000114.3S429 E430 V434S429-G432 PolarHBondContact O-N 3.17Å; E430-G432 PolarHBondContact O-N 2.91Å; G432-V434 VanDerWaalsContact C-N 3.34Å
433A77.5Confident86.6Confident12 Ų1234.8 Ų34.810%0.09919%0.185CC..SBendtrans-66.9-38.2176.500000111.8L428 Q454 V458L428-A433 HydrophobicContact CB-CB 4.35Å; L428-A433 VanDerWaalsContact O-CB 3.29Å; L428-A433 WeakPolarHBondContact O-CB 3.19Å; L428-A433 PolarHBondContact O-N 2.79Å; A433-Q454 WeakPolarHBondContact O-CB 3.4Å; A433-Q454 WeakPolarHBondContact O-CG 3.46Å; A433-Q454 PolarHBondContact O-NE2 3.48Å; A433-V458 HydrophobicContact CB-CG2 4.34Å
434V87Confident86.7Confident3 Ų332 Ų322%0.01818%0.176CC..SBendtrans-152.7165.1172.1-74.10000108.9S429 G432 V447 G448 A449 Q454 V458S429-V434 WeakPolarHBondContact CA-O 3.27Å; S429-V434 WeakPolarHBondContact CB-O 3.42Å; S429-V434 PolarHBondContact OG-O 3.19Å; G432-V434 VanDerWaalsContact C-N 3.34Å; V434-V447 HydrophobicContact CG2-CG1 4.29Å; V434-G448 CarbonylContact C-O 3.6Å; V434-G448 WeakPolarHBondContact CA-O 3.48Å; V434-G448 WeakPolarHBondContact CB-O 3.35Å; V434-A449 HydrophobicContact CG1-CB 4.21Å; V434-Q454 HydrophobicContact CG1-CB 4.02Å; V434-V458 HydrophobicContact CB-CG2 4.23Å; V434-V458 HydrophobicContact CG1-CG2 3.61Å; V434-V458 HydrophobicContact CG2-CG2 3.62Å
435Q88.2Confident87Confident20 Ų2032.4 Ų32.49%0.09318%0.178CC..EExtended strand (participates in β ladder)trans-94.4143.2165.2-67-17823.600110.2N401 F402 P404 F437 V447 G448 W482N401-Q435 PolarHBondContact OD1-NE2 3.38Å; F402-Q435 PolarHBondContact O-NE2 2.86Å; P404-Q435 VanDerWaalsContact CD-OE1 3.3Å; P404-Q435 HydrophobicContact CG-CB 4.3Å; Q435-F437 HydrophobicContact CB-CE2 3.73Å; Q435-F437 HydrophobicContact CB-CZ 4.01Å; Q435-V447 CarbonylContact O-C 3.51Å; Q435-V447 VanDerWaalsContact O-CA 3.23Å; Q435-V447 WeakPolarHBondContact O-CA 3.21Å; Q435-G448 PolarHBondContact N-O 2.81Å; Q435-G448 PolarHBondContact O-N 3.47Å; Q435-W482 VanDerWaalsContact OE1-CZ2 3.28Å
436V91.3Very high87.2Confident0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-113.7127.7177.5174.70000108.6L425 S429 V447 D505 G506L425-V436 HydrophobicContact CB-CG2 3.88Å; L425-V436 HydrophobicContact CD2-CG2 4.37Å; L425-V436 WeakPolarHBondContact O-CG2 3.39Å; S429-V436 PolarHBondContact OG-N 2.82Å; V436-V447 HydrophobicContact CG2-CG1 4.26Å; V436-D505 CarbonylContact O-C 3.59Å; V436-D505 VanDerWaalsContact O-C 3.25Å; V436-D505 WeakPolarHBondContact O-CA 3.49Å; V436-G506 PolarHBondContact O-N 3.49Å
437F92.7Very high87.7Confident0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-119.5127.7174.8-58-82.8000109.3P404 F407 Q435 I446 A480 A503 L504 D505 A511 I513P404-F437 HydrophobicContact CG-CE2 3.79Å; P404-F437 HydrophobicContact CG-CZ 4.07Å; F407-F437 HydrophobicContact CE1-CD2 4.31Å; F407-F437 AromaticContact CE1-CE2 3.92Å; F407-F437 HydrophobicContact CE1-CE2 3.92Å; Q435-F437 HydrophobicContact CB-CE2 3.73Å; Q435-F437 HydrophobicContact CB-CZ 4.01Å; F437-I446 HydrophobicContact CB-CB 4.23Å; F437-I446 PolarHBondContact N-O 3.46Å; F437-I446 PolarHBondContact O-N 3.39Å; F437-A480 HydrophobicContact CE1-CB 3.91Å; F437-A480 HydrophobicContact CE2-CB 4.17Å; F437-A480 HydrophobicContact CZ-CB 3.64Å; F437-A503 HydrophobicContact CB-CB 3.91Å; F437-L504 CarbonylContact C-O 3.59Å; F437-L504 WeakPolarHBondContact CA-O 3.36Å; F437-D505 HydrophobicContact CD1-CB 4.17Å; F437-D505 HydrophobicContact CE1-CB 4.16Å; F437-A511 HydrophobicContact CD1-CB 3.93Å; F437-A511 HydrophobicContact CE1-CB 3.81Å; F437-I513 HydrophobicContact CB-CD1 4.06Å; F437-I513 HydrophobicContact CD1-CD1 3.76Å; F437-I513 HydrophobicContact CD2-CD1 4.38Å; F437-I513 HydrophobicContact CE1-CD1 4.28Å; F437-I513 HydrophobicContact CG-CD1 3.81Å
438R93.2Very high88.1Confident66 Ų6630.9 Ų30.925%0.24917%0.169CC..EExtended strand (participates in β ladder)trans-109.199.8177-71.6171.8-68.6154.4-0.3108.6I440 L445 A503 L504 D505 D508R438-I440 PolarHBondContact O-N 3.3Å; R438-L445 HydrophobicContact CG-CD2 3.65Å; R438-A503 CarbonylContact O-C 3.59Å; R438-A503 WeakPolarHBondContact O-CA 3.22Å; R438-A503 WeakPolarHBondContact O-CB 3.31Å; R438-L504 PolarHBondContact N-O 2.84Å; R438-L504 PolarHBondContact O-N 2.96Å; R438-D505 PolarHBondContact NH2-O 2.93Å; R438-D508 IonicContact CZ-OD1 2.77Å; R438-D508 IonicContact NH1-OD1 3.66Å; R438-D508 IonicContact NH2-OD1 2.83Å; R438-D508 PolarHBondContact NH2-OD1 2.88Å
439P93.9Very high88.3Confident15 Ų1531 Ų3110%0.09717%0.17CC..EExtended strand (participates in β ladder)trans-52.7141.7175.6-24.635.9000111S441 N442 D444 I446 L502P439-S441 VanDerWaalsContact C-N 3.35Å; P439-N442 WeakPolarHBondContact CB-OD1 3.36Å; P439-D444 WeakPolarHBondContact CD-O 3.38Å; P439-I446 HydrophobicContact CG-CD1 3.72Å; P439-I446 HydrophobicContact CG-CG1 4.25Å; P439-L502 CarbonylContact C-O 3.54Å; P439-L502 WeakPolarHBondContact CA-O 3.43Å
440I93.1Very high88.2Confident81 Ų8131.7 Ų31.742%0.41517%0.173SC..SBendtrans-74.4-33.8179.8-61.6176.1000110.4R438 N442 E499 L502 L504 L510R438-I440 PolarHBondContact O-N 3.3Å; I440-N442 VanDerWaalsContact C-N 3.33Å; I440-N442 PolarHBondContact O-N 3.47Å; I440-E499 HydrophobicContact CG2-CG 4.46Å; I440-L502 HydrophobicContact CD1-CB 3.86Å; I440-L502 HydrophobicContact CG1-CB 4.46Å; I440-L502 PolarHBondContact N-O 3.06Å; I440-L504 HydrophobicContact CG1-CG 4.5Å; I440-L510 HydrophobicContact CD1-CD1 3.6Å
441S89.9Confident88.3Confident61 Ų6129.8 Ų29.843%0.42717%0.166SC..SBendtrans-75.4-15.6-174.761.50000114.8P439P439-S441 VanDerWaalsContact C-N 3.35Å
442N88.6Confident88.6Confident68 Ų6833.2 Ų33.236%0.36419%0.187SC..SBendtrans-153179.9-176.467.245.1000111.9P439 I440 D444P439-N442 WeakPolarHBondContact CB-OD1 3.36Å; I440-N442 VanDerWaalsContact C-N 3.33Å; I440-N442 PolarHBondContact O-N 3.47Å; N442-D444 VanDerWaalsContact OD1-CB 3.24Å; N442-D444 WeakPolarHBondContact OD1-CB 3.19Å; N442-D444 PolarHBondContact OD1-N 3.45Å
443N85.8Confident89Confident153 Ų15332.8 Ų32.882%0.81818%0.182SC*.  trans-100.316.5-178.8-67.3-43.3000113.3
444D89.4Confident89.4Confident53 Ų5332.4 Ų32.428%0.28318%0.178SC..  trans-67.4152.4177.6-73.9-7.9000110.2R409 P439 N442R409-D444 VanDerWaalsContact CD-CG 3.43Å; R409-D444 WeakPolarHBondContact CD-OD2 2.84Å; R409-D444 HydrophobicContact CG-CB 4.45Å; R409-D444 IonicContact CZ-OD2 3.02Å; R409-D444 IonicContact NE-OD2 2.76Å; R409-D444 IonicContact NH1-OD1 2.66Å; R409-D444 IonicContact NH1-OD2 2.75Å; R409-D444 PolarHBondContact NH1-OD2 2.79Å; P439-D444 WeakPolarHBondContact CD-O 3.38Å; N442-D444 VanDerWaalsContact OD1-CB 3.24Å; N442-D444 WeakPolarHBondContact OD1-CB 3.19Å; N442-D444 PolarHBondContact OD1-N 3.45Å
445L92.3Very high89.5Confident9 Ų932.6 Ų32.65%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-115.5114.9172.7-68.7165.8000107.2R409 I410 L421 L422 L425 R438R409-L445 WeakPolarHBondContact CA-O 3.28Å; I410-L445 HydrophobicContact CG2-CB 3.6Å; I410-L445 PolarHBondContact N-O 2.98Å; L421-L445 HydrophobicContact CD2-CD1 3.73Å; L421-L445 HydrophobicContact CG-CD1 4.16Å; L422-L445 HydrophobicContact CD1-CD2 3.99Å; L425-L445 HydrophobicContact CD1-CB 4.24Å; L425-L445 HydrophobicContact CD1-CD1 3.9Å; R438-L445 HydrophobicContact CG-CD2 3.65Å
446I94Very high89.5Confident10 Ų1035 Ų355%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-102128.3177.6-58.5175000107.1F407 R408 F437 P439 V475 V477 I513F407-I446 HydrophobicContact CB-CG2 4.35Å; F407-I446 HydrophobicContact CD1-CG2 4.04Å; R408-I446 WeakPolarHBondContact O-CA 3.3Å; F437-I446 HydrophobicContact CB-CB 4.23Å; F437-I446 PolarHBondContact N-O 3.46Å; F437-I446 PolarHBondContact O-N 3.39Å; P439-I446 HydrophobicContact CG-CD1 3.72Å; P439-I446 HydrophobicContact CG-CG1 4.25Å; I446-V475 HydrophobicContact CD1-CG2 4.18Å; I446-V475 HydrophobicContact CG1-CG2 4.34Å; I446-V475 HydrophobicContact CG2-CG1 4.35Å; I446-V477 HydrophobicContact CD1-CG2 4.18Å; I446-I513 HydrophobicContact CD1-CG2 4.49Å
447V94Very high89.2Confident0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-105.2135.6170.6-69.90000109.8F407 R408 I410 L425 V434 Q435 V436 F455 Y472F407-V447 WeakPolarHBondContact CA-O 3.36Å; R408-V447 HydrophobicContact CB-CG2 4.03Å; R408-V447 PolarHBondContact N-O 3.24Å; R408-V447 WeakPolarHBondContact O-CG2 3.49Å; R408-V447 PolarHBondContact O-N 2.97Å; I410-V447 HydrophobicContact CG2-CG1 4.11Å; L425-V447 HydrophobicContact CD2-CG1 3.86Å; V434-V447 HydrophobicContact CG2-CG1 4.29Å; Q435-V447 CarbonylContact O-C 3.51Å; Q435-V447 VanDerWaalsContact O-CA 3.23Å; Q435-V447 WeakPolarHBondContact O-CA 3.21Å; V436-V447 HydrophobicContact CG2-CG1 4.26Å; V447-F455 HydrophobicContact CB-CE1 4.14Å; V447-F455 HydrophobicContact CG2-CD1 3.83Å; V447-F455 HydrophobicContact CG2-CE1 3.46Å; V447-F455 VanDerWaalsContact CG2-CE1 3.46Å; V447-Y472 HydrophobicContact CG2-CD1 4Å; V447-Y472 HydrophobicContact CG2-CE1 3.42Å; V447-Y472 VanDerWaalsContact CG2-CE1 3.42Å
448G92Very high89Confident1 Ų135.1 Ų35.11%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-108.5135.7172.900000110.6P404 L406 V434 Q435P404-G448 VanDerWaalsContact CB-CA 3.47Å; L406-G448 CarbonylContact O-C 3.43Å; L406-G448 VanDerWaalsContact O-CA 3.26Å; L406-G448 WeakPolarHBondContact O-CA 3.32Å; V434-G448 CarbonylContact C-O 3.6Å; V434-G448 WeakPolarHBondContact CA-O 3.48Å; V434-G448 WeakPolarHBondContact CB-O 3.35Å; Q435-G448 PolarHBondContact N-O 2.81Å; Q435-G448 PolarHBondContact O-N 3.47Å
449A89.6Confident88.8Confident2 Ų234 Ų342%0.01719%0.193CC..EExtended strand (participates in β ladder)trans-135.5155.6176.700000110.5P404 E405 L406 V434 G451 Q454 F455P404-A449 VanDerWaalsContact CB-N 3.34Å; E405-A449 PolarHBondContact N-O 3.07Å; L406-A449 PolarHBondContact N-O 3.38Å; L406-A449 PolarHBondContact O-N 2.87Å; V434-A449 HydrophobicContact CG1-CB 4.21Å; A449-G451 WeakPolarHBondContact CB-O 3.32Å; A449-Q454 HydrophobicContact CB-CB 3.92Å; A449-F455 HydrophobicContact CB-CD1 4.29Å; A449-F455 HydrophobicContact CB-CD2 4.46Å; A449-F455 HydrophobicContact CB-CE1 3.7Å; A449-F455 HydrophobicContact CB-CE2 3.92Å; A449-F455 HydrophobicContact CB-CZ 3.5Å
450V83.1Confident88.4Confident38 Ų3834.1 Ų34.123%0.2319%0.194CC..SBendtrans-79.9-36.4168.1179.70000109.6
451G83Confident88.1Confident5 Ų530.7 Ų30.75%0.05218%0.176CC..SBendtrans-134.4163.3-179.800000114.6D103 A449 Q454D103-G451 VanDerWaalsContact OD2-CA 3.31Å; D103-G451 WeakPolarHBondContact OD2-CA 3.43Å; A449-G451 WeakPolarHBondContact CB-O 3.32Å; G451-Q454 PolarHBondContact O-N 2.85Å
452V85.1Confident88Confident87 Ų8727.8 Ų27.853%0.52716%0.156SC..Hα-helixtrans-70.3-36.1-171.9-177.80000112.2D103 L406 Q454 F455D103-V452 PolarHBondContact OD2-N 3.29Å; L406-V452 HydrophobicContact CD1-CG2 3.65Å; V452-Q454 PolarHBondContact O-N 3.43Å; V452-F455 VanDerWaalsContact O-CB 3.32Å; V452-F455 WeakPolarHBondContact O-CB 3.35Å; V452-F455 PolarHBondContact O-N 2.95Å
453L85.1Confident88Confident4 Ų429.6 Ų29.62%0.02116%0.161CC..Hα-helixtrans-62.7-28.2179.9-178.953.9000112.6M71 I77 H101 D103 F104 F455 D456 V457M71-L453 HydrophobicContact SD-CD1 4.44Å; I77-L453 HydrophobicContact CD1-CD2 3.44Å; I77-L453 VanDerWaalsContact CD1-CD2 3.44Å; H101-L453 HydrophobicContact CB-CD2 4.47Å; H101-L453 VanDerWaalsContact CD2-CD2 3.49Å; H101-L453 WeakPolarHBondContact CD2-CD2 3.45Å; H101-L453 WeakPolarHBondContact NE2-CD2 3.26Å; D103-L453 HydrophobicContact CB-CB 4.14Å; D103-L453 WeakPolarHBondContact OD2-CA 3.49Å; D103-L453 WeakPolarHBondContact OD2-CB 3.45Å; D103-L453 PolarHBondContact OD2-N 3.47Å; F104-L453 HydrophobicContact CE2-CD2 3.83Å; F104-L453 HydrophobicContact CE2-CG 3.96Å; F104-L453 HydrophobicContact CZ-CG 4.26Å; L453-F455 PolarHBondContact O-N 3.19Å; L453-D456 HydrophobicContact CD1-CB 3.96Å; L453-D456 PolarHBondContact O-N 3.07Å; L453-D456 VanDerWaalsContact O-N 3.13Å; L453-V457 HydrophobicContact CD1-CG2 4.3Å; L453-V457 HydrophobicContact CG-CG2 4.34Å; L453-V457 WeakPolarHBondContact O-CG2 3.15Å; L453-V457 PolarHBondContact O-N 2.69Å
454Q86Confident87.8Confident5 Ų524.5 Ų24.52%0.02314%0.137CC..Hα-helixtrans-57.4-36.9173.9-73.5177.4-6300111.2D103 F104 A433 V434 A449 G451 V452 V457 V458D103-Q454 HydrophobicContact CB-CG 4.26Å; D103-Q454 WeakPolarHBondContact O-CG 3.41Å; D103-Q454 PolarHBondContact O-NE2 3.22Å; D103-Q454 PolarHBondContact O-OE1 3.25Å; F104-Q454 HydrophobicContact CD1-CG 4.12Å; F104-Q454 HydrophobicContact CE1-CG 3.68Å; F104-Q454 HydrophobicContact CZ-CG 4.04Å; A433-Q454 WeakPolarHBondContact O-CB 3.4Å; A433-Q454 WeakPolarHBondContact O-CG 3.46Å; A433-Q454 PolarHBondContact O-NE2 3.48Å; V434-Q454 HydrophobicContact CG1-CB 4.02Å; A449-Q454 HydrophobicContact CB-CB 3.92Å; G451-Q454 PolarHBondContact O-N 2.85Å; V452-Q454 PolarHBondContact O-N 3.43Å; Q454-V457 PolarHBondContact O-N 3.31Å; Q454-V458 WeakPolarHBondContact O-CB 3.26Å; Q454-V458 VanDerWaalsContact O-CG2 3.28Å; Q454-V458 WeakPolarHBondContact O-CG2 3.37Å; Q454-V458 PolarHBondContact O-N 3.13Å
455F90.1Very high87.5Confident7 Ų723.2 Ų23.23%0.03113%0.129CC..Hα-helixtrans-64.8-46.4175-64.4-49.6000112.1L406 R408 V447 A449 V452 L453 V457 V458 V459 Y472L406-F455 HydrophobicContact CB-CE2 3.83Å; L406-F455 HydrophobicContact CB-CZ 4.04Å; L406-F455 HydrophobicContact CD1-CE2 4.44Å; R408-F455 HydrophobicContact CB-CE1 4.14Å; R408-F455 HydrophobicContact CB-CZ 4.18Å; R408-F455 HydrophobicContact CG-CD1 4.44Å; R408-F455 HydrophobicContact CG-CD2 4.17Å; R408-F455 HydrophobicContact CG-CE1 4.08Å; R408-F455 HydrophobicContact CG-CE2 3.76Å; R408-F455 HydrophobicContact CG-CG 4.5Å; R408-F455 HydrophobicContact CG-CZ 3.71Å; V447-F455 HydrophobicContact CB-CE1 4.14Å; V447-F455 HydrophobicContact CG2-CD1 3.83Å; V447-F455 HydrophobicContact CG2-CE1 3.46Å; V447-F455 VanDerWaalsContact CG2-CE1 3.46Å; A449-F455 HydrophobicContact CB-CD1 4.29Å; A449-F455 HydrophobicContact CB-CD2 4.46Å; A449-F455 HydrophobicContact CB-CE1 3.7Å; A449-F455 HydrophobicContact CB-CE2 3.92Å; A449-F455 HydrophobicContact CB-CZ 3.5Å; V452-F455 VanDerWaalsContact O-CB 3.32Å; V452-F455 WeakPolarHBondContact O-CB 3.35Å; V452-F455 PolarHBondContact O-N 2.95Å; L453-F455 PolarHBondContact O-N 3.19Å; F455-V457 VanDerWaalsContact C-N 3.29Å; F455-V457 PolarHBondContact O-N 3.03Å; F455-V458 PolarHBondContact O-N 2.85Å; F455-V459 PolarHBondContact O-N 2.86Å; F455-Y472 HydrophobicContact CB-CD2 4.02Å; F455-Y472 HydrophobicContact CB-CE2 3.45Å; F455-Y472 VanDerWaalsContact CB-CE2 3.45Å; F455-Y472 HydrophobicContact CD1-CE1 4.01Å; F455-Y472 HydrophobicContact CD1-CE2 4.24Å; F455-Y472 AromaticContact CD1-CZ 3.81Å; F455-Y472 HydrophobicContact CG-CE2 4.17Å; F455-Y472 WeakPolarHBondContact O-CE2 3.31Å; F455-Y472 PolarHBondContact O-OH 3.27Å
456D87.6Confident87.2Confident70 Ų7023 Ų2337%0.37413%0.128SC..Hα-helixtrans-58.7-43.4177.3-73.4-9.6000111.3R75 L453 V459 S460R75-D456 IonicContact CZ-OD2 2.91Å; R75-D456 IonicContact NH1-OD2 2.68Å; R75-D456 IonicContact NH2-OD2 2.69Å; R75-D456 PolarHBondContact NH2-OD2 3.13Å; L453-D456 HydrophobicContact CD1-CB 3.96Å; L453-D456 PolarHBondContact O-N 3.07Å; L453-D456 VanDerWaalsContact O-N 3.13Å; D456-V459 PolarHBondContact O-N 3.22Å; D456-S460 WeakPolarHBondContact O-CB 3.24Å; D456-S460 PolarHBondContact O-N 2.91Å
457V84.5Confident86.9Confident3 Ų327.5 Ų27.52%0.01815%0.152CC..Hα-helixtrans-64.2-45.2177.7171.80000110.9M71 I79 F104 L453 Q454 F455 V459 S460 R461M71-V457 HydrophobicContact SD-CG2 4.33Å; I79-V457 HydrophobicContact CD1-CG2 3.84Å; I79-V457 HydrophobicContact CG2-CG1 4.26Å; I79-V457 HydrophobicContact CG2-CG2 4.15Å; F104-V457 HydrophobicContact CZ-CB 4.29Å; F104-V457 HydrophobicContact CZ-CG2 3.76Å; L453-V457 HydrophobicContact CD1-CG2 4.3Å; L453-V457 HydrophobicContact CG-CG2 4.34Å; L453-V457 WeakPolarHBondContact O-CG2 3.15Å; L453-V457 PolarHBondContact O-N 2.69Å; Q454-V457 PolarHBondContact O-N 3.31Å; F455-V457 VanDerWaalsContact C-N 3.29Å; F455-V457 PolarHBondContact O-N 3.03Å; V457-V459 PolarHBondContact O-N 3.01Å; V457-S460 PolarHBondContact O-N 3.15Å; V457-R461 HydrophobicContact CG1-CG 4.24Å; V457-R461 WeakPolarHBondContact O-CB 3.31Å; V457-R461 VanDerWaalsContact O-CG 3.3Å; V457-R461 WeakPolarHBondContact O-CG 3.44Å; V457-R461 PolarHBondContact O-N 2.8Å
458V88.9Confident86.7Confident0 Ų027.5 Ų27.50%015%0.152CC..Hα-helixtrans-61.4-44.7177.8166.40000111.6L425 L428 A433 V434 Q454 F455 R461 L462 Y472L425-V458 HydrophobicContact CD2-CG1 4.01Å; L428-V458 HydrophobicContact CD1-CB 4.37Å; L428-V458 HydrophobicContact CD1-CG1 3.92Å; L428-V458 HydrophobicContact CD1-CG2 4.27Å; A433-V458 HydrophobicContact CB-CG2 4.34Å; V434-V458 HydrophobicContact CB-CG2 4.23Å; V434-V458 HydrophobicContact CG1-CG2 3.61Å; V434-V458 HydrophobicContact CG2-CG2 3.62Å; Q454-V458 WeakPolarHBondContact O-CB 3.26Å; Q454-V458 VanDerWaalsContact O-CG2 3.28Å; Q454-V458 WeakPolarHBondContact O-CG2 3.37Å; Q454-V458 PolarHBondContact O-N 3.13Å; F455-V458 PolarHBondContact O-N 2.85Å; V458-R461 PolarHBondContact O-N 2.83Å; V458-L462 HydrophobicContact CG1-CD1 3.78Å; V458-L462 HydrophobicContact CG1-CG 4.22Å; V458-L462 VanDerWaalsContact O-CB 3.31Å; V458-L462 WeakPolarHBondContact O-CB 3.27Å; V458-L462 VanDerWaalsContact O-CG 3.22Å; V458-L462 WeakPolarHBondContact O-CG 3.32Å; V458-L462 PolarHBondContact O-N 2.85Å; V458-Y472 WeakPolarHBondContact CB-OH 3.47Å; V458-Y472 WeakPolarHBondContact CG1-OH 3.01Å
459V89.7Confident86.6Confident41 Ų4131.6 Ų31.625%0.24817%0.171CC..Hα-helixtrans-64.1-42.81771650000111.6F455 D456 V457 L462 K463 Y472F455-V459 PolarHBondContact O-N 2.86Å; D456-V459 PolarHBondContact O-N 3.22Å; V457-V459 PolarHBondContact O-N 3.01Å; V459-L462 PolarHBondContact O-N 3.44Å; V459-K463 WeakPolarHBondContact O-CB 3.27Å; V459-K463 PolarHBondContact O-N 2.9Å; V459-Y472 HydrophobicContact CB-CE2 4.33Å; V459-Y472 HydrophobicContact CG2-CD2 3.87Å; V459-Y472 HydrophobicContact CG2-CE2 3.16Å
460S85.8Confident86.6Confident18 Ų1831.7 Ų31.713%0.12617%0.172CC..Hα-helixtrans-61.4-43.9176.8179.90000111.8D456 V457 K463 S464D456-S460 WeakPolarHBondContact O-CB 3.24Å; D456-S460 PolarHBondContact O-N 2.91Å; V457-S460 PolarHBondContact O-N 3.15Å; S460-K463 PolarHBondContact O-N 2.78Å; S460-S464 WeakPolarHBondContact O-CB 3.29Å; S460-S464 PolarHBondContact O-N 2.87Å; S460-S464 PolarHBondContact O-OG 3.16Å
461R85Confident87.1Confident9 Ų932.3 Ų32.33%0.03418%0.176CC..Hα-helixtrans-70.1-41.4177.9-69.5-172.368.7-165.9-9.6112.4W68 A314 L428 E431 V457 V458 K463 S464 E465W68-R461 HydrophobicContact CB-CG 4.38Å; W68-R461 HydrophobicContact CG-CG 4.26Å; A314-R461 PolarHBondContact O-NH2 3.24Å; L428-R461 HydrophobicContact CD1-CB 4.29Å; L428-R461 HydrophobicContact CD2-CB 4.07Å; L428-R461 VanDerWaalsContact CD2-NH1 3.29Å; E431-R461 VanDerWaalsContact CD-NH1 3.34Å; E431-R461 IonicContact OE1-CZ 2.82Å; E431-R461 IonicContact OE1-NH1 2.75Å; E431-R461 PolarHBondContact OE1-NH1 3.16Å; E431-R461 IonicContact OE1-NH2 2.86Å; E431-R461 PolarHBondContact OE1-NH2 2.87Å; E431-R461 IonicContact OE2-CZ 3.47Å; E431-R461 IonicContact OE2-NH1 3.87Å; E431-R461 PolarHBondContact OE2-NH1 3.39Å; E431-R461 IonicContact OE2-NH2 3.74Å; E431-R461 PolarHBondContact OE2-NH2 3.01Å; V457-R461 HydrophobicContact CG1-CG 4.24Å; V457-R461 WeakPolarHBondContact O-CB 3.31Å; V457-R461 VanDerWaalsContact O-CG 3.3Å; V457-R461 WeakPolarHBondContact O-CG 3.44Å; V457-R461 PolarHBondContact O-N 2.8Å; V458-R461 PolarHBondContact O-N 2.83Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 3.35Å; R461-S464 PolarHBondContact O-N 3.1Å; R461-E465 WeakPolarHBondContact CG-OE1 3.49Å; R461-E465 IonicContact CZ-OE1 2.65Å; R461-E465 IonicContact CZ-OE2 2.87Å; R461-E465 IonicContact NE-OE1 3.51Å; R461-E465 PolarHBondContact NE-OE1 3.16Å; R461-E465 IonicContact NE-OE2 3.52Å; R461-E465 PolarHBondContact NE-OE2 2.82Å; R461-E465 IonicContact NH2-OE1 3.58Å; R461-E465 IonicContact NH2-OE2 3.7Å; R461-E465 PolarHBondContact NH2-OE2 3.19Å; R461-E465 WeakPolarHBondContact O-CA 3.48Å; R461-E465 VanDerWaalsContact O-CB 3.23Å; R461-E465 WeakPolarHBondContact O-CB 3.28Å; R461-E465 PolarHBondContact O-N 2.79Å
462L88.2Confident87.6Confident0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-56.5-44172.3-76.5173.2000111.3I410 L421 L425 L428 V458 V459 Y466 N467 V468 A470I410-L462 HydrophobicContact CD1-CD1 3.55Å; L421-L462 HydrophobicContact CD1-CD1 3.75Å; L421-L462 HydrophobicContact CD1-CD2 4.14Å; L425-L462 HydrophobicContact CD2-CD1 4.1Å; L425-L462 HydrophobicContact CG-CD1 4.49Å; L428-L462 HydrophobicContact CD1-CD2 4.16Å; L428-L462 HydrophobicContact CD1-CG 4.03Å; V458-L462 HydrophobicContact CG1-CD1 3.78Å; V458-L462 HydrophobicContact CG1-CG 4.22Å; V458-L462 VanDerWaalsContact O-CB 3.31Å; V458-L462 WeakPolarHBondContact O-CB 3.27Å; V458-L462 VanDerWaalsContact O-CG 3.22Å; V458-L462 WeakPolarHBondContact O-CG 3.32Å; V458-L462 PolarHBondContact O-N 2.85Å; V459-L462 PolarHBondContact O-N 3.44Å; L462-Y466 HydrophobicContact CD2-CD2 4.25Å; L462-Y466 CarbonylContact O-C 3.42Å; L462-Y466 WeakPolarHBondContact O-CA 3.39Å; L462-Y466 WeakPolarHBondContact O-CB 3.23Å; L462-Y466 PolarHBondContact O-N 3.35Å; L462-N467 PolarHBondContact O-N 2.7Å; L462-V468 CarbonylContact C-O 3.5Å; L462-V468 VanDerWaalsContact C-O 3.24Å; L462-V468 HydrophobicContact CB-CB 4.25Å; L462-V468 HydrophobicContact CB-CG1 4.38Å; L462-V468 PolarHBondContact O-N 3.17Å; L462-A470 HydrophobicContact CD1-CB 4.1Å
463K88.5Confident87.9Confident107 Ų10733.2 Ų33.247%0.46517%0.171SC..Hα-helixtrans-67.3-51.5178.3-172.9178.9179.3-1750112.1V459 S460 R461 N467 V468 E469V459-K463 WeakPolarHBondContact O-CB 3.27Å; V459-K463 PolarHBondContact O-N 2.9Å; S460-K463 PolarHBondContact O-N 2.78Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 3.35Å; K463-N467 WeakPolarHBondContact O-CA 3.42Å; K463-N467 PolarHBondContact O-N 3.13Å; K463-N467 VanDerWaalsContact O-N 3.16Å; K463-V468 VanDerWaalsContact CA-O 3.29Å; K463-V468 WeakPolarHBondContact CA-O 3.46Å; K463-V468 PolarHBondContact N-O 2.83Å; K463-V468 VanDerWaalsContact N-O 3.17Å; K463-E469 HydrophobicContact CG-CG 4.38Å
464S83.1Confident88.3Confident46 Ų4638.1 Ų38.132%0.32221%0.206SC..Hα-helixtrans-76-41.7-172.954.90000113.5S460 R461S460-S464 WeakPolarHBondContact O-CB 3.29Å; S460-S464 PolarHBondContact O-N 2.87Å; S460-S464 PolarHBondContact O-OG 3.16Å; R461-S464 PolarHBondContact O-N 3.1Å
465E82.9Confident88.6Confident25 Ų2539.8 Ų39.812%0.11722%0.216CC..Hα-helixtrans-92.7-31.9-172.6-59.7167.9-165.400112.4N315 R321 R461N315-E465 HydrophobicContact CB-CG 4.14Å; N315-E465 WeakPolarHBondContact CB-OE2 3.39Å; N315-E465 WeakPolarHBondContact ND2-CB 3.34Å; N315-E465 PolarHBondContact ND2-OE2 2.84Å; R321-E465 VanDerWaalsContact CZ-O 3.32Å; R321-E465 PolarHBondContact NH2-O 3.31Å; R461-E465 WeakPolarHBondContact CG-OE1 3.49Å; R461-E465 IonicContact CZ-OE1 2.65Å; R461-E465 IonicContact CZ-OE2 2.87Å; R461-E465 IonicContact NE-OE1 3.51Å; R461-E465 PolarHBondContact NE-OE1 3.16Å; R461-E465 IonicContact NE-OE2 3.52Å; R461-E465 PolarHBondContact NE-OE2 2.82Å; R461-E465 IonicContact NH2-OE1 3.58Å; R461-E465 IonicContact NH2-OE2 3.7Å; R461-E465 PolarHBondContact NH2-OE2 3.19Å; R461-E465 WeakPolarHBondContact O-CA 3.48Å; R461-E465 VanDerWaalsContact O-CB 3.23Å; R461-E465 WeakPolarHBondContact O-CB 3.28Å; R461-E465 PolarHBondContact O-N 2.79Å
466Y85.4Confident88.7Confident4 Ų445.5 Ų45.52%0.01625%0.247CC..Hα-helixtrans-112.5-4.7-175.2-56.6-90.8000113.6N315 G424 Q427 L462 V468N315-Y466 VanDerWaalsContact ND2-CZ 3.29Å; N315-Y466 PolarHBondContact ND2-OH 2.92Å; G424-Y466 VanDerWaalsContact CA-CE1 3.48Å; Q427-Y466 WeakPolarHBondContact CB-OH 3.32Å; Q427-Y466 PolarHBondContact OE1-OH 2.89Å; L462-Y466 HydrophobicContact CD2-CD2 4.25Å; L462-Y466 CarbonylContact O-C 3.42Å; L462-Y466 WeakPolarHBondContact O-CA 3.39Å; L462-Y466 WeakPolarHBondContact O-CB 3.23Å; L462-Y466 PolarHBondContact O-N 3.35Å; Y466-V468 PolarHBondContact O-N 2.98Å
467N87Confident88.9Confident106 Ų10643.1 Ų43.157%0.56724%0.235SC*.  trans5536.8-172.6-167.716.9000111.7K417 L462 K463K417-N467 VanDerWaalsContact CD-O 3.27Å; K417-N467 WeakPolarHBondContact CD-O 3.44Å; K417-N467 WeakPolarHBondContact CE-O 3.32Å; K417-N467 PolarHBondContact NZ-O 3.18Å; L462-N467 PolarHBondContact O-N 2.7Å; K463-N467 WeakPolarHBondContact O-CA 3.42Å; K463-N467 PolarHBondContact O-N 3.13Å; K463-N467 VanDerWaalsContact O-N 3.16Å
468V89.2Confident89.3Confident0 Ų045 Ų450%025%0.25CS..  trans-111115-177.81700000109.5L412 K417 Q420 L421 L462 K463 Y466 A470L412-V468 HydrophobicContact CD2-CG1 3.44Å; L412-V468 VanDerWaalsContact CD2-CG1 3.44Å; K417-V468 HydrophobicContact CB-CG2 4.34Å; Q420-V468 HydrophobicContact CB-CG2 3.63Å; L421-V468 HydrophobicContact CB-CG1 4.12Å; L421-V468 HydrophobicContact CD1-CG1 3.83Å; L462-V468 CarbonylContact C-O 3.5Å; L462-V468 VanDerWaalsContact C-O 3.24Å; L462-V468 HydrophobicContact CB-CB 4.25Å; L462-V468 HydrophobicContact CB-CG1 4.38Å; L462-V468 PolarHBondContact O-N 3.17Å; K463-V468 VanDerWaalsContact CA-O 3.29Å; K463-V468 WeakPolarHBondContact CA-O 3.46Å; K463-V468 PolarHBondContact N-O 2.83Å; K463-V468 VanDerWaalsContact N-O 3.17Å; Y466-V468 PolarHBondContact O-N 2.98Å; V468-A470 HydrophobicContact CG1-CB 4.38Å; V468-A470 PolarHBondContact O-N 3.36Å
469E91Very high89.4Confident86 Ų8645.5 Ų45.540%0.40225%0.254SS..  trans-89.4107.2168-70.5-162.2-158.900110.3K413 K463K413-E469 HydrophobicContact CB-CB 4.45Å; K413-E469 HydrophobicContact CD-CB 4.08Å; K413-E469 HydrophobicContact CG-CB 4.4Å; K413-E469 PolarHBondContact N-O 2.97Å; K413-E469 IonicContact NZ-OE2 3.59Å; K413-E469 PolarHBondContact NZ-OE2 3.45Å; K463-E469 HydrophobicContact CG-CG 4.38Å
470A90.2Very high89.5Confident5 Ų543.6 Ų43.64%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-110.3154.8175.600000111.1I410 R411 L421 L462 V468I410-A470 HydrophobicContact CD1-CB 3.67Å; I410-A470 HydrophobicContact CG1-CB 3.69Å; R411-A470 VanDerWaalsContact O-CA 3.29Å; R411-A470 WeakPolarHBondContact O-CA 3.4Å; L421-A470 HydrophobicContact CD1-CB 4.19Å; L462-A470 HydrophobicContact CD1-CB 4.1Å; V468-A470 HydrophobicContact CG1-CB 4.38Å; V468-A470 PolarHBondContact O-N 3.36Å
471V92.1Very high89.8Confident51 Ų5143.8 Ų43.831%0.30924%0.24SC..EExtended strand (participates in β ladder)trans-128.9148.6171.9-64.10000109.7R411 K413R411-V471 HydrophobicContact CG-CG2 3.48Å; R411-V471 VanDerWaalsContact CG-CG2 3.48Å; R411-V471 PolarHBondContact N-O 3.38Å; R411-V471 PolarHBondContact O-N 2.95Å; K413-V471 HydrophobicContact CD-CG1 4.28Å; K413-V471 VanDerWaalsContact CE-CG1 3.4Å; K413-V471 HydrophobicContact CG-CG1 3.98Å
472Y93.2Very high90.1Very high56 Ų5643.7 Ų43.722%0.2224%0.24CC..EExtended strand (participates in β ladder)trans-92.7141.6175-66.9-61.8000111.5R408 R409 I410 V447 F455 V458 V459R408-Y472 HydrophobicContact CB-CD1 3.68Å; R408-Y472 HydrophobicContact CB-CE1 4.44Å; R408-Y472 HydrophobicContact CB-CG 4.12Å; R408-Y472 HydrophobicContact CG-CD1 4.43Å; R408-Y472 HydrophobicContact CG-CG 4.45Å; R409-Y472 CarbonylContact O-C 3.59Å; R409-Y472 WeakPolarHBondContact O-CA 3.38Å; I410-Y472 HydrophobicContact CB-CD1 3.98Å; I410-Y472 HydrophobicContact CB-CE1 3.82Å; I410-Y472 HydrophobicContact CD1-CD1 4.45Å; I410-Y472 HydrophobicContact CD1-CE1 3.67Å; I410-Y472 HydrophobicContact CG1-CD1 4.08Å; I410-Y472 HydrophobicContact CG1-CE1 3.78Å; V447-Y472 HydrophobicContact CG2-CD1 4Å; V447-Y472 HydrophobicContact CG2-CE1 3.42Å; V447-Y472 VanDerWaalsContact CG2-CE1 3.42Å; F455-Y472 HydrophobicContact CB-CD2 4.02Å; F455-Y472 HydrophobicContact CB-CE2 3.45Å; F455-Y472 VanDerWaalsContact CB-CE2 3.45Å; F455-Y472 HydrophobicContact CD1-CE1 4.01Å; F455-Y472 HydrophobicContact CD1-CE2 4.24Å; F455-Y472 AromaticContact CD1-CZ 3.81Å; F455-Y472 HydrophobicContact CG-CE2 4.17Å; F455-Y472 WeakPolarHBondContact O-CE2 3.31Å; F455-Y472 PolarHBondContact O-OH 3.27Å; V458-Y472 WeakPolarHBondContact CB-OH 3.47Å; V458-Y472 WeakPolarHBondContact CG1-OH 3.01Å; V459-Y472 HydrophobicContact CB-CE2 4.33Å; V459-Y472 HydrophobicContact CG2-CD2 3.87Å; V459-Y472 HydrophobicContact CG2-CE2 3.16Å
473E92.8Very high90.3Very high54 Ų5444 Ų4425%0.25224%0.242SC..EExtended strand (participates in β ladder)trans-122.2155.2169.2-68.3176.4159.900109.3R409 R411R409-E473 HydrophobicContact CB-CB 4.47Å; R409-E473 IonicContact CZ-OE2 3.03Å; R409-E473 VanDerWaalsContact CZ-OE2 3.26Å; R409-E473 PolarHBondContact N-O 2.89Å; R409-E473 IonicContact NE-OE2 3.95Å; R409-E473 PolarHBondContact NE-OE2 3.5Å; R409-E473 IonicContact NH2-OE2 3.8Å; R409-E473 PolarHBondContact NH2-OE2 3.06Å; R409-E473 PolarHBondContact O-N 3.4Å; R411-E473 WeakPolarHBondContact CD-OE1 3.48Å; R411-E473 HydrophobicContact CG-CG 4.5Å; R411-E473 IonicContact CZ-OE1 2.85Å; R411-E473 IonicContact NE-OE1 3.77Å; R411-E473 IonicContact NH1-OE1 3.26Å; R411-E473 PolarHBondContact NH1-OE1 3.47Å
474S92.1Very high90.5Very high108 Ų10844.3 Ų44.376%0.75525%0.245SC*.EExtended strand (participates in β ladder)trans-62.7144.4170.847.80000110.4
475V93.1Very high90.9Very high40 Ų4043.4 Ų43.424%0.24224%0.238CC..  trans-135142.3176.370.40000108.4F407 R409 I446 V477F407-V475 HydrophobicContact CB-CG1 3.76Å; R409-V475 HydrophobicContact CB-CB 4.16Å; R409-V475 HydrophobicContact CB-CG2 4.44Å; I446-V475 HydrophobicContact CD1-CG2 4.18Å; I446-V475 HydrophobicContact CG1-CG2 4.34Å; I446-V475 HydrophobicContact CG2-CG1 4.35Å; V475-V477 HydrophobicContact CG1-CB 4.23Å; V475-V477 HydrophobicContact CG1-CG2 3.94Å; V475-V477 HydrophobicContact CG2-CG2 3.93Å; V475-V477 PolarHBondContact O-N 3.41Å
476N91.4Very high91.3Very high126 Ų12647.7 Ų47.767%0.67428%0.278SS*.  trans-82.769.1-178.8-169.421.3000110.8T515N476-T515 WeakPolarHBondContact O-CG2 3.38Å
477V93.5Very high91.6Very high21 Ų2150.6 Ų50.613%0.12729%0.294CS..  trans-126.7123.5177179.90000108.6F407 I446 V475 I513F407-V477 HydrophobicContact CB-CB 3.77Å; F407-V477 HydrophobicContact CB-CG1 4.06Å; F407-V477 HydrophobicContact CD1-CB 4.26Å; F407-V477 HydrophobicContact CD1-CG1 3.63Å; F407-V477 HydrophobicContact CD2-CB 4.13Å; F407-V477 HydrophobicContact CD2-CG1 3.64Å; F407-V477 HydrophobicContact CE1-CG1 3.91Å; F407-V477 HydrophobicContact CE2-CG1 3.97Å; F407-V477 HydrophobicContact CG-CB 3.78Å; F407-V477 HydrophobicContact CG-CG1 3.47Å; F407-V477 VanDerWaalsContact CG-CG1 3.47Å; F407-V477 HydrophobicContact CZ-CG1 4.08Å; I446-V477 HydrophobicContact CD1-CG2 4.18Å; V475-V477 HydrophobicContact CG1-CB 4.23Å; V475-V477 HydrophobicContact CG1-CG2 3.94Å; V475-V477 HydrophobicContact CG2-CG2 3.93Å; V475-V477 PolarHBondContact O-N 3.41Å; V477-I513 HydrophobicContact CB-CG2 4.02Å; V477-I513 HydrophobicContact CG1-CG2 3.46Å; V477-I513 VanDerWaalsContact CG1-CG2 3.46Å; V477-I513 HydrophobicContact CG2-CG2 3.34Å
478A91.7Very high91.9Very high41 Ų4148.9 Ų48.934%0.33929%0.294SS..  trans-91.8-39.7175.100000111.7A514A478-A514 PolarHBondContact N-O 2.97Å
479T91.7Very high92.1Very high12 Ų1257.5 Ų57.57%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-162.3163.4177.7-156.90000112.1R481 A514 M517 L520T479-R481 PolarHBondContact OG1-NH1 2.98Å; T479-A514 HydrophobicContact CG2-CB 4.13Å; T479-A514 PolarHBondContact N-O 3.03Å; T479-A514 PolarHBondContact O-N 2.84Å; T479-M517 HydrophobicContact CG2-SD 4.04Å; T479-L520 HydrophobicContact CG2-CD2 3.88Å
480A91.9Very high92.1Very high1 Ų157.1 Ų57.11%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-116.1140.8172.100000110.1F407 F437 Y512 I513F407-A480 HydrophobicContact CE1-CB 3.96Å; F407-A480 HydrophobicContact CZ-CB 3.96Å; F437-A480 HydrophobicContact CE1-CB 3.91Å; F437-A480 HydrophobicContact CE2-CB 4.17Å; F437-A480 HydrophobicContact CZ-CB 3.64Å; A480-Y512 CarbonylContact C-O 3.59Å; A480-Y512 WeakPolarHBondContact CA-O 3.43Å; A480-I513 HydrophobicContact CB-CD1 3.72Å
481R91.6Very high92.4Very high21 Ų2158.4 Ų58.48%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-132.5127.2173.9-66-66.7177.3-98.96.2109.7T479 A511 Y512 L520 F532 H533T479-R481 PolarHBondContact OG1-NH1 2.98Å; R481-A511 CarbonylContact O-C 3.57Å; R481-A511 WeakPolarHBondContact O-CA 3.39Å; R481-Y512 PolarHBondContact N-O 3.23Å; R481-Y512 PolarHBondContact O-N 3.13Å; R481-L520 HydrophobicContact CG-CD1 3.9Å; R481-L520 HydrophobicContact CG-CD2 4Å; R481-F532 HydrophobicContact CB-CB 4.03Å; R481-F532 HydrophobicContact CB-CD1 4.01Å; R481-F532 HydrophobicContact CG-CB 4.35Å; R481-H533 WeakPolarHBondContact CA-O 3.24Å; R481-H533 VanDerWaalsContact CD-O 3.24Å; R481-H533 WeakPolarHBondContact CD-O 3.37Å
482W91.1Very high92.5Very high7 Ų761 Ų613%0.02734%0.343CS..EExtended strand (participates in β ladder)trans-68.7137.9171.4-66.9-88.3000109.4A403 Q435 D505 F532 H533 R536A403-W482 HydrophobicContact CB-CZ3 4.45Å; Q435-W482 VanDerWaalsContact OE1-CZ2 3.28Å; W482-D505 PolarHBondContact NE1-OD2 2.94Å; W482-F532 CarbonylContact O-C 3.55Å; W482-F532 WeakPolarHBondContact O-CA 2.97Å; W482-H533 PolarHBondContact N-O 3.07Å; W482-H533 VanDerWaalsContact N-O 3.16Å; W482-H533 PolarHBondContact O-N 3.42Å; W482-R536 HydrophobicContact CD2-CB 4.38Å; W482-R536 HydrophobicContact CE3-CB 4.41Å
483V93.3Very high92.5Very high7 Ų763 Ų634%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-119.7127.6-172.5-73.50000111.4F491 F494 L502 L510 V530 Q531 F532V483-F491 HydrophobicContact CB-CE2 4.41Å; V483-F491 HydrophobicContact CG2-CE2 4.31Å; V483-F491 HydrophobicContact CG2-CZ 4.46Å; V483-F494 HydrophobicContact CB-CE1 4.25Å; V483-F494 HydrophobicContact CG1-CE1 4.32Å; V483-F494 HydrophobicContact CG1-CZ 4.14Å; V483-F494 HydrophobicContact CG2-CE1 4.02Å; V483-L502 HydrophobicContact CG2-CD2 4.33Å; V483-L510 HydrophobicContact CG2-CB 4.12Å; V483-L510 HydrophobicContact CG2-CD2 3.89Å; V483-L510 HydrophobicContact CG2-CG 3.82Å; V483-L510 WeakPolarHBondContact CG2-O 3.45Å; V483-L510 PolarHBondContact N-O 2.65Å; V483-L510 VanDerWaalsContact N-O 3.1Å; V483-V530 HydrophobicContact CB-CG1 3.98Å; V483-V530 HydrophobicContact CG1-CG1 4.11Å; V483-Q531 VanDerWaalsContact CA-O 3.31Å; V483-Q531 WeakPolarHBondContact CA-O 3.44Å; V483-F532 HydrophobicContact CG1-CD1 3.52Å; V483-F532 HydrophobicContact CG1-CE1 3.61Å; V483-F532 HydrophobicContact CG1-CG 4.05Å; V483-F532 HydrophobicContact CG1-CZ 4.21Å
484E91.4Very high92.6Very high113 Ų11360.4 Ų60.453%0.52834%0.342SS..EExtended strand (participates in β ladder)trans-133.9150.1177.8-63.3-172.3-176.700109.7Q531E484-Q531 PolarHBondContact N-O 2.79Å; E484-Q531 VanDerWaalsContact N-O 3.16Å; E484-Q531 PolarHBondContact O-N 3.03Å
485C92.2Very high92.7Very high27 Ų2758.2 Ų58.218%0.18232%0.319CS..  trans-152.8130.8179-174.50000109.6D487 F491 D529 V530C485-D487 VanDerWaalsContact C-N 3.33Å; C485-D487 PolarHBondContact SG-O 2.78Å; C485-F491 HydrophobicContact CB-CB 3.77Å; C485-F491 HydrophobicContact CB-CD2 3.58Å; C485-F491 HydrophobicContact CB-CE2 4.28Å; C485-F491 HydrophobicContact CB-CG 3.74Å; C485-D529 PolarHBondContact SG-O 2.76Å; C485-V530 HydrophobicContact CB-CG2 4.11Å
486A91Very high92.7Very high115 Ų11564.5 Ų64.595%0.9534%0.338SS*.SBendtrans-71.6-28.5178.500000112.6
487D92.7Very high92.9Very high65 Ų6564.6 Ų64.635%0.34833%0.332SS..  trans-93.2106178.8-174.1-28000110.9C485 K489 K490 F491C485-D487 VanDerWaalsContact C-N 3.33Å; C485-D487 PolarHBondContact SG-O 2.78Å; D487-K489 VanDerWaalsContact C-N 3.29Å; D487-K489 PolarHBondContact O-N 3.39Å; D487-K489 PolarHBondContact OD1-N 2.93Å; D487-K490 HydrophobicContact CB-CB 4.16Å; D487-K490 HydrophobicContact CB-CD 4.14Å; D487-K490 HydrophobicContact CB-CG 4.16Å; D487-K490 PolarHBondContact O-N 2.89Å; D487-K490 PolarHBondContact OD1-N 3.47Å; D487-F491 WeakPolarHBondContact O-CB 3.46Å; D487-F491 PolarHBondContact O-N 2.75Å
488A92.6Very high92.9Very high70 Ų7064.4 Ų64.458%0.57933%0.33SS*.Hα-helixtrans-57.6-36.3-179.400000113.7F491 E492A488-F491 PolarHBondContact O-N 2.82Å; A488-E492 WeakPolarHBondContact O-CG 3.46Å; A488-E492 PolarHBondContact O-N 2.87Å
489K93.4Very high92.9Very high181 Ų18167.3 Ų67.379%0.78734%0.337SS*.Hα-helixtrans-70.6-44.7-177.8-72.3-176.6-178.8176.70111.2D487 F491 E492 E493D487-K489 VanDerWaalsContact C-N 3.29Å; D487-K489 PolarHBondContact O-N 3.39Å; D487-K489 PolarHBondContact OD1-N 2.93Å; K489-F491 VanDerWaalsContact C-N 3.27Å; K489-F491 PolarHBondContact O-N 3.13Å; K489-E492 PolarHBondContact O-N 3.24Å; K489-E493 PolarHBondContact O-N 3.26Å; K489-E493 VanDerWaalsContact O-N 3.11Å
490K92.1Very high93Very high79 Ų7970.3 Ų70.334%0.34336%0.359SS..Hα-helixtrans-64-37.1175.6-65.3-174.5-175.5-174.60111D487 E493 F494 D529D487-K490 HydrophobicContact CB-CB 4.16Å; D487-K490 HydrophobicContact CB-CD 4.14Å; D487-K490 HydrophobicContact CB-CG 4.16Å; D487-K490 PolarHBondContact O-N 2.89Å; D487-K490 PolarHBondContact OD1-N 3.47Å; K490-E493 PolarHBondContact O-N 2.99Å; K490-F494 WeakPolarHBondContact O-CB 3.26Å; K490-F494 PolarHBondContact O-N 2.77Å; K490-D529 HydrophobicContact CD-CB 3.78Å; K490-D529 VanDerWaalsContact CD-CG 3.46Å; K490-D529 WeakPolarHBondContact CD-OD2 3.42Å; K490-D529 WeakPolarHBondContact CE-OD2 3.46Å; K490-D529 IonicContact NZ-OD1 2.76Å; K490-D529 PolarHBondContact NZ-OD1 2.91Å; K490-D529 IonicContact NZ-OD2 3.57Å; K490-D529 PolarHBondContact NZ-OD2 2.85Å
491F95.1Very high93.1Very high31 Ų3172.3 Ų72.314%0.13637%0.368CS..Hα-helixtrans-66.9-41.7178-161.9-142.2000112.8V483 C485 D487 A488 K489 E493 F494 K495 L510 V530V483-F491 HydrophobicContact CB-CE2 4.41Å; V483-F491 HydrophobicContact CG2-CE2 4.31Å; V483-F491 HydrophobicContact CG2-CZ 4.46Å; C485-F491 HydrophobicContact CB-CB 3.77Å; C485-F491 HydrophobicContact CB-CD2 3.58Å; C485-F491 HydrophobicContact CB-CE2 4.28Å; C485-F491 HydrophobicContact CB-CG 3.74Å; D487-F491 WeakPolarHBondContact O-CB 3.46Å; D487-F491 PolarHBondContact O-N 2.75Å; A488-F491 PolarHBondContact O-N 2.82Å; K489-F491 VanDerWaalsContact C-N 3.27Å; K489-F491 PolarHBondContact O-N 3.13Å; F491-E493 VanDerWaalsContact C-N 3.33Å; F491-E493 PolarHBondContact O-N 3.42Å; F491-F494 AromaticContact CD2-CD1 3.95Å; F491-F494 HydrophobicContact CD2-CD1 3.95Å; F491-F494 AromaticContact CE2-CD1 3.94Å; F491-F494 HydrophobicContact CE2-CD1 3.94Å; F491-F494 HydrophobicContact CE2-CE1 4.25Å; F491-F494 WeakPolarHBondContact O-CB 3.41Å; F491-F494 PolarHBondContact O-N 2.97Å; F491-K495 WeakPolarHBondContact O-CG 3.4Å; F491-K495 PolarHBondContact O-N 3.12Å; F491-L510 HydrophobicContact CE1-CD2 4.37Å; F491-L510 HydrophobicContact CE2-CD2 4.18Å; F491-L510 HydrophobicContact CZ-CD2 3.65Å; F491-V530 HydrophobicContact CD2-CG2 4.41Å; F491-V530 HydrophobicContact CE2-CG1 4.5Å
492E94.6Very high93.3Very high107 Ų10771.4 Ų71.450%0.537%0.365SS..Hα-helixtrans-64.5-36.9174.3-72.3-54129.800112.4A488 K489 K495 R496A488-E492 WeakPolarHBondContact O-CG 3.46Å; A488-E492 PolarHBondContact O-N 2.87Å; K489-E492 PolarHBondContact O-N 3.24Å; E492-K495 PolarHBondContact O-N 3.3Å; E492-K495 IonicContact OE1-NZ 3.16Å; E492-K495 PolarHBondContact OE1-NZ 2.99Å; E492-R496 WeakPolarHBondContact O-CB 3.43Å; E492-R496 PolarHBondContact O-N 2.89Å
493E93.8Very high93.5Very high97 Ų9771.1 Ų71.145%0.45336%0.363SS..Hα-helixtrans-62.7-47.1172.3-179.1172.6-170.100111.9K489 K490 F491 K495 R496 K497K489-E493 PolarHBondContact O-N 3.26Å; K489-E493 VanDerWaalsContact O-N 3.11Å; K490-E493 PolarHBondContact O-N 2.99Å; F491-E493 VanDerWaalsContact C-N 3.33Å; F491-E493 PolarHBondContact O-N 3.42Å; E493-K495 VanDerWaalsContact C-N 3.33Å; E493-K495 PolarHBondContact O-N 3.34Å; E493-R496 PolarHBondContact O-N 3.16Å; E493-K497 HydrophobicContact CG-CG 4.34Å; E493-K497 WeakPolarHBondContact O-CB 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.35Å; E493-K497 PolarHBondContact O-N 2.89Å
494F94.9Very high93.4Very high0 Ų073.4 Ų73.40%038%0.375CS..Hα-helixtrans-56.2-47.8174.7166.6-100.1000111.3V483 K490 F491 R496 K497 N498 L502 Y512 Y527 V530 F532V483-F494 HydrophobicContact CB-CE1 4.25Å; V483-F494 HydrophobicContact CG1-CE1 4.32Å; V483-F494 HydrophobicContact CG1-CZ 4.14Å; V483-F494 HydrophobicContact CG2-CE1 4.02Å; K490-F494 WeakPolarHBondContact O-CB 3.26Å; K490-F494 PolarHBondContact O-N 2.77Å; F491-F494 AromaticContact CD2-CD1 3.95Å; F491-F494 HydrophobicContact CD2-CD1 3.95Å; F491-F494 AromaticContact CE2-CD1 3.94Å; F491-F494 HydrophobicContact CE2-CD1 3.94Å; F491-F494 HydrophobicContact CE2-CE1 4.25Å; F491-F494 WeakPolarHBondContact O-CB 3.41Å; F491-F494 PolarHBondContact O-N 2.97Å; F494-R496 PolarHBondContact O-N 3.42Å; F494-K497 PolarHBondContact O-N 2.97Å; F494-N498 VanDerWaalsContact CD2-ND2 3.26Å; F494-N498 WeakPolarHBondContact CD2-ND2 3.39Å; F494-N498 HydrophobicContact CE2-CB 4.28Å; F494-N498 WeakPolarHBondContact O-CB 3.2Å; F494-N498 PolarHBondContact O-N 3.47Å; F494-N498 PolarHBondContact O-ND2 3.46Å; F494-L502 HydrophobicContact CE1-CD1 4.39Å; F494-L502 HydrophobicContact CE1-CD2 3.83Å; F494-L502 HydrophobicContact CZ-CD2 4.1Å; F494-Y512 HydrophobicContact CE2-CD2 4.18Å; F494-Y512 HydrophobicContact CE2-CE2 4.44Å; F494-Y512 AromaticContact CZ-CD2 3.72Å; F494-Y512 HydrophobicContact CZ-CD2 3.72Å; F494-Y512 HydrophobicContact CZ-CE2 4.41Å; F494-Y512 HydrophobicContact CZ-CG 4.48Å; F494-Y527 HydrophobicContact CB-CD1 3.94Å; F494-Y527 HydrophobicContact CB-CE1 4.13Å; F494-Y527 HydrophobicContact CB-CG 4.36Å; F494-Y527 HydrophobicContact CD2-CD1 4.07Å; F494-Y527 AromaticContact CD2-CD2 3.61Å; F494-Y527 HydrophobicContact CD2-CD2 3.61Å; F494-Y527 HydrophobicContact CD2-CE1 4.42Å; F494-Y527 HydrophobicContact CD2-CE2 4Å; F494-Y527 AromaticContact CD2-CG 3.66Å; F494-Y527 HydrophobicContact CD2-CG 3.66Å; F494-Y527 HydrophobicContact CE2-CD2 4.17Å; F494-Y527 HydrophobicContact CE2-CG 4.5Å; F494-Y527 HydrophobicContact CG-CG 4.46Å; F494-V530 HydrophobicContact CB-CG2 4.1Å; F494-V530 HydrophobicContact CD1-CG1 4.43Å; F494-V530 HydrophobicContact CD1-CG2 4.41Å; F494-V530 HydrophobicContact CD2-CG2 4.32Å; F494-V530 HydrophobicContact CE1-CG1 4.32Å; F494-V530 HydrophobicContact CG-CG2 4.02Å; F494-V530 HydrophobicContact CZ-CG1 4.41Å; F494-F532 HydrophobicContact CE2-CE1 4.38Å; F494-F532 AromaticContact CE2-CZ 3.83Å; F494-F532 HydrophobicContact CE2-CZ 3.83Å; F494-F532 HydrophobicContact CZ-CE1 4.22Å; F494-F532 HydrophobicContact CZ-CZ 4.03Å
495K94.8Very high93.3Very high62 Ų6268.6 Ų68.627%0.2735%0.353SS..Hα-helixtrans-57.1-50.2178.1-74.2177.5-166.4169.80112.1F491 E492 E493 K497 N498 E499 L502 L510F491-K495 WeakPolarHBondContact O-CG 3.4Å; F491-K495 PolarHBondContact O-N 3.12Å; E492-K495 PolarHBondContact O-N 3.3Å; E492-K495 IonicContact OE1-NZ 3.16Å; E492-K495 PolarHBondContact OE1-NZ 2.99Å; E493-K495 VanDerWaalsContact C-N 3.33Å; E493-K495 PolarHBondContact O-N 3.34Å; K495-K497 PolarHBondContact O-N 3.49Å; K495-N498 PolarHBondContact O-N 3.2Å; K495-E499 WeakPolarHBondContact O-CA 3.47Å; K495-E499 PolarHBondContact O-N 2.77Å; K495-L502 HydrophobicContact CB-CD1 4.1Å; K495-L502 HydrophobicContact CG-CD1 4.05Å; K495-L510 HydrophobicContact CD-CD2 4.27Å; K495-L510 HydrophobicContact CG-CD2 3.95Å
496R93.1Very high92.6Very high171 Ų17168.3 Ų68.365%0.64535%0.354SS*.Hα-helixtrans-63.9-38.7-179.3-175-177.362.5172.9-2.8112.7E492 E493 F494E492-R496 WeakPolarHBondContact O-CB 3.43Å; E492-R496 PolarHBondContact O-N 2.89Å; E493-R496 PolarHBondContact O-N 3.16Å; F494-R496 PolarHBondContact O-N 3.42Å
497K93.8Very high92Very high128 Ų12864.2 Ų64.256%0.55732%0.323SS*.Hα-helixtrans-79.9-23-176.9-71.1-66.1-171.4178.80113.6E493 F494 K495 Y527E493-K497 HydrophobicContact CG-CG 4.34Å; E493-K497 WeakPolarHBondContact O-CB 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.35Å; E493-K497 PolarHBondContact O-N 2.89Å; F494-K497 PolarHBondContact O-N 2.97Å; K495-K497 PolarHBondContact O-N 3.49Å; K497-Y527 WeakPolarHBondContact CB-OH 3.39Å
498N93.9Very high91.6Very high17 Ų1766.1 Ų66.19%0.09133%0.334CS..SBendtrans-118.518.8-176.5-58.8-82.7000112.8F494 K495 S500 Q501 L502 Y512 Y527F494-N498 VanDerWaalsContact CD2-ND2 3.26Å; F494-N498 WeakPolarHBondContact CD2-ND2 3.39Å; F494-N498 HydrophobicContact CE2-CB 4.28Å; F494-N498 WeakPolarHBondContact O-CB 3.2Å; F494-N498 PolarHBondContact O-N 3.47Å; F494-N498 PolarHBondContact O-ND2 3.46Å; K495-N498 PolarHBondContact O-N 3.2Å; N498-S500 PolarHBondContact O-N 3.21Å; N498-Q501 WeakPolarHBondContact O-CA 3.17Å; N498-Q501 PolarHBondContact O-N 3.31Å; N498-Q501 PolarHBondContact O-OE1 2.69Å; N498-L502 WeakPolarHBondContact O-CG 3.17Å; N498-L502 PolarHBondContact O-N 3.18Å; N498-Y512 HydrophobicContact CB-CD2 4.45Å; N498-Y512 HydrophobicContact CB-CE2 3.96Å; N498-Y527 VanDerWaalsContact ND2-CE2 3.27Å; N498-Y527 WeakPolarHBondContact ND2-CE2 3.43Å
499E92.9Very high91.4Very high102 Ų10264.8 Ų64.848%0.47732%0.317SS..G310 helixtrans-50.2-38.8-175-174.5177-170.600113.1I440 K495 Q501 L502I440-E499 HydrophobicContact CG2-CG 4.46Å; K495-E499 WeakPolarHBondContact O-CA 3.47Å; K495-E499 PolarHBondContact O-N 2.77Å; E499-Q501 PolarHBondContact O-N 2.83Å; E499-L502 PolarHBondContact O-N 3.32Å
500S92.3Very high91.4Very high76 Ų7657.5 Ų57.553%0.53129%0.286SS..G310 helixtrans-67.8-16.3177.958.20000115.1N498N498-S500 PolarHBondContact O-N 3.21Å
501Q94.4Very high91.5Very high43 Ų4353.8 Ų53.820%0.20127%0.27CS..G310 helixtrans-105.91.5177.1-69.468.836.500111.8N498 E499 Y512 I513N498-Q501 WeakPolarHBondContact O-CA 3.17Å; N498-Q501 PolarHBondContact O-N 3.31Å; N498-Q501 PolarHBondContact O-OE1 2.69Å; E499-Q501 PolarHBondContact O-N 2.83Å; Q501-Y512 HydrophobicContact CB-CD2 3.94Å; Q501-Y512 HydrophobicContact CB-CE1 4.48Å; Q501-Y512 HydrophobicContact CB-CE2 3.48Å; Q501-Y512 VanDerWaalsContact CB-CE2 3.48Å; Q501-Y512 HydrophobicContact CG-CE2 4.11Å; Q501-I513 PolarHBondContact O-N 3Å
502L96.2Very high91.5Very high2 Ų252.4 Ų52.41%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-98.8138.1-178.1-68.6176.6000111.6P439 I440 V483 F494 K495 N498 E499 L510 A511 Y512P439-L502 CarbonylContact C-O 3.54Å; P439-L502 WeakPolarHBondContact CA-O 3.43Å; I440-L502 HydrophobicContact CD1-CB 3.86Å; I440-L502 HydrophobicContact CG1-CB 4.46Å; I440-L502 PolarHBondContact N-O 3.06Å; V483-L502 HydrophobicContact CG2-CD2 4.33Å; F494-L502 HydrophobicContact CE1-CD1 4.39Å; F494-L502 HydrophobicContact CE1-CD2 3.83Å; F494-L502 HydrophobicContact CZ-CD2 4.1Å; K495-L502 HydrophobicContact CB-CD1 4.1Å; K495-L502 HydrophobicContact CG-CD1 4.05Å; N498-L502 WeakPolarHBondContact O-CG 3.17Å; N498-L502 PolarHBondContact O-N 3.18Å; E499-L502 PolarHBondContact O-N 3.32Å; L502-L510 HydrophobicContact CB-CD1 4.09Å; L502-L510 HydrophobicContact CD1-CD1 4.42Å; L502-L510 HydrophobicContact CD1-CD2 4.24Å; L502-L510 HydrophobicContact CD2-CD1 4.31Å; L502-L510 HydrophobicContact CD2-CD2 4.23Å; L502-L510 HydrophobicContact CD2-CG 4.12Å; L502-A511 WeakPolarHBondContact CA-O 3.32Å; L502-Y512 HydrophobicContact CD2-CD2 4.11Å
503A94.8Very high91.5Very high0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans-137.2152.8175.700000111F437 R438 A511 I513F437-A503 HydrophobicContact CB-CB 3.91Å; R438-A503 CarbonylContact O-C 3.59Å; R438-A503 WeakPolarHBondContact O-CA 3.22Å; R438-A503 WeakPolarHBondContact O-CB 3.31Å; A503-A511 PolarHBondContact N-O 2.94Å; A503-A511 PolarHBondContact O-N 3.03Å; A503-I513 HydrophobicContact CB-CD1 4.11Å; A503-I513 HydrophobicContact CB-CG1 3.59Å
504L92.3Very high91.4Very high55 Ų5543.2 Ų43.229%0.28822%0.222SC..EExtended strand (participates in β ladder)trans-92.7130.1168-64.7-179.6000109.7F437 R438 I440 N509 L510F437-L504 CarbonylContact C-O 3.59Å; F437-L504 WeakPolarHBondContact CA-O 3.36Å; R438-L504 PolarHBondContact N-O 2.84Å; R438-L504 PolarHBondContact O-N 2.96Å; I440-L504 HydrophobicContact CG1-CG 4.5Å; L504-N509 WeakPolarHBondContact CA-O 3.45Å; L504-L510 HydrophobicContact CD2-CD1 4.08Å
505D87.8Confident91.4Very high13 Ų1345.8 Ų45.87%0.0724%0.237CC..  trans-72.6-177.4173.477.44.3000112.4V436 F437 R438 W482 G507 D508 N509V436-D505 CarbonylContact O-C 3.59Å; V436-D505 VanDerWaalsContact O-C 3.25Å; V436-D505 WeakPolarHBondContact O-CA 3.49Å; F437-D505 HydrophobicContact CD1-CB 4.17Å; F437-D505 HydrophobicContact CE1-CB 4.16Å; R438-D505 PolarHBondContact NH2-O 2.93Å; W482-D505 PolarHBondContact NE1-OD2 2.94Å; D505-G507 PolarHBondContact O-N 2.83Å; D505-G507 VanDerWaalsContact OD1-C 3.24Å; D505-G507 VanDerWaalsContact OD1-CA 3.31Å; D505-G507 WeakPolarHBondContact OD1-CA 3.43Å; D505-G507 PolarHBondContact OD1-N 2.97Å; D505-D508 PolarHBondContact O-N 2.86Å; D505-D508 VanDerWaalsContact O-N 3.15Å; D505-D508 PolarHBondContact OD1-N 2.91Å; D505-D508 VanDerWaalsContact OD1-N 3.13Å; D505-N509 PolarHBondContact N-O 3.31Å; D505-N509 WeakPolarHBondContact OD1-CB 3.46Å; D505-N509 PolarHBondContact OD1-N 2.82Å; D505-N509 PolarHBondContact OD1-ND2 2.75Å; D505-N509 PolarHBondContact OD2-ND2 3.04Å
506G78.6Confident91.3Very high20 Ų2045 Ų4521%0.20624%0.24CC..THydrogen-bonded Turntrans-61-21.9177.200000114.1V436V436-G506 PolarHBondContact O-N 3.49Å
507G78.4Confident91.2Very high29 Ų2941.3 Ų41.330%0.29923%0.231SC..THydrogen-bonded Turntrans-103.919.5176.600000114.1D505 N509D505-G507 PolarHBondContact O-N 2.83Å; D505-G507 VanDerWaalsContact OD1-C 3.24Å; D505-G507 VanDerWaalsContact OD1-CA 3.31Å; D505-G507 WeakPolarHBondContact OD1-CA 3.43Å; D505-G507 PolarHBondContact OD1-N 2.97Å; G507-N509 VanDerWaalsContact C-N 3.29Å; G507-N509 PolarHBondContact O-N 3.19Å; G507-N509 PolarHBondContact O-ND2 3.38Å
508D84.6Confident91.1Very high106 Ų10639.2 Ų39.257%0.56723%0.228SC*.SBendtrans62.326-178.5-64.7-50.2000115.2R438 D505R438-D508 IonicContact CZ-OD1 2.77Å; R438-D508 IonicContact NH1-OD1 3.66Å; R438-D508 IonicContact NH2-OD1 2.83Å; R438-D508 PolarHBondContact NH2-OD1 2.88Å; D505-D508 PolarHBondContact O-N 2.86Å; D505-D508 VanDerWaalsContact O-N 3.15Å; D505-D508 PolarHBondContact OD1-N 2.91Å; D505-D508 VanDerWaalsContact OD1-N 3.13Å
509N87.5Confident91.1Very high42 Ų4240.2 Ų40.223%0.22523%0.234CC..  trans-94.2144.5177.8-49.3-88.3000110.3L504 D505 G507 A511 R536L504-N509 WeakPolarHBondContact CA-O 3.45Å; D505-N509 PolarHBondContact N-O 3.31Å; D505-N509 WeakPolarHBondContact OD1-CB 3.46Å; D505-N509 PolarHBondContact OD1-N 2.82Å; D505-N509 PolarHBondContact OD1-ND2 2.75Å; D505-N509 PolarHBondContact OD2-ND2 3.04Å; G507-N509 VanDerWaalsContact C-N 3.29Å; G507-N509 PolarHBondContact O-N 3.19Å; G507-N509 PolarHBondContact O-ND2 3.38Å; N509-A511 PolarHBondContact O-N 2.75Å; N509-R536 VanDerWaalsContact CG-CZ 3.48Å; N509-R536 PolarHBondContact ND2-NH1 3.4Å; N509-R536 PolarHBondContact OD1-NH1 2.82Å; N509-R536 PolarHBondContact OD1-NH2 3.36Å
510L93.5Very high91.2Very high28 Ų2835.6 Ų35.615%0.14721%0.212CC..EExtended strand (participates in β ladder)trans-78.7124.4-176-165.568.5000110.8I440 V483 F491 K495 L502 L504I440-L510 HydrophobicContact CD1-CD1 3.6Å; V483-L510 HydrophobicContact CG2-CB 4.12Å; V483-L510 HydrophobicContact CG2-CD2 3.89Å; V483-L510 HydrophobicContact CG2-CG 3.82Å; V483-L510 WeakPolarHBondContact CG2-O 3.45Å; V483-L510 PolarHBondContact N-O 2.65Å; V483-L510 VanDerWaalsContact N-O 3.1Å; F491-L510 HydrophobicContact CE1-CD2 4.37Å; F491-L510 HydrophobicContact CE2-CD2 4.18Å; F491-L510 HydrophobicContact CZ-CD2 3.65Å; K495-L510 HydrophobicContact CD-CD2 4.27Å; K495-L510 HydrophobicContact CG-CD2 3.95Å; L502-L510 HydrophobicContact CB-CD1 4.09Å; L502-L510 HydrophobicContact CD1-CD1 4.42Å; L502-L510 HydrophobicContact CD1-CD2 4.24Å; L502-L510 HydrophobicContact CD2-CD1 4.31Å; L502-L510 HydrophobicContact CD2-CD2 4.23Å; L502-L510 HydrophobicContact CD2-CG 4.12Å; L504-L510 HydrophobicContact CD2-CD1 4.08Å
511A93.7Very high91.2Very high0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-122.2139.717500000110.6F437 R481 L502 A503 N509 I513F437-A511 HydrophobicContact CD1-CB 3.93Å; F437-A511 HydrophobicContact CE1-CB 3.81Å; R481-A511 CarbonylContact O-C 3.57Å; R481-A511 WeakPolarHBondContact O-CA 3.39Å; L502-A511 WeakPolarHBondContact CA-O 3.32Å; A503-A511 PolarHBondContact N-O 2.94Å; A503-A511 PolarHBondContact O-N 3.03Å; N509-A511 PolarHBondContact O-N 2.75Å; A511-I513 HydrophobicContact CB-CD1 4.43Å
512Y94.9Very high91.2Very high2 Ų240 Ų401%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-88.6118.1168.2-174.4-88.4000109.7A480 R481 F494 N498 Q501 L502 A514 N519 L520 A523 F532A480-Y512 CarbonylContact C-O 3.59Å; A480-Y512 WeakPolarHBondContact CA-O 3.43Å; R481-Y512 PolarHBondContact N-O 3.23Å; R481-Y512 PolarHBondContact O-N 3.13Å; F494-Y512 HydrophobicContact CE2-CD2 4.18Å; F494-Y512 HydrophobicContact CE2-CE2 4.44Å; F494-Y512 AromaticContact CZ-CD2 3.72Å; F494-Y512 HydrophobicContact CZ-CD2 3.72Å; F494-Y512 HydrophobicContact CZ-CE2 4.41Å; F494-Y512 HydrophobicContact CZ-CG 4.48Å; N498-Y512 HydrophobicContact CB-CD2 4.45Å; N498-Y512 HydrophobicContact CB-CE2 3.96Å; Q501-Y512 HydrophobicContact CB-CD2 3.94Å; Q501-Y512 HydrophobicContact CB-CE1 4.48Å; Q501-Y512 HydrophobicContact CB-CE2 3.48Å; Q501-Y512 VanDerWaalsContact CB-CE2 3.48Å; Q501-Y512 HydrophobicContact CG-CE2 4.11Å; L502-Y512 HydrophobicContact CD2-CD2 4.11Å; Y512-A514 HydrophobicContact CD1-CB 4.08Å; Y512-A514 HydrophobicContact CE1-CB 3.8Å; Y512-N519 WeakPolarHBondContact CE1-OD1 3.41Å; Y512-N519 VanDerWaalsContact OH-CG 3.3Å; Y512-N519 PolarHBondContact OH-ND2 3.02Å; Y512-N519 PolarHBondContact OH-OD1 3.46Å; Y512-L520 HydrophobicContact CD1-CD1 4.17Å; Y512-L520 HydrophobicContact CE1-CD1 4.42Å; Y512-A523 HydrophobicContact CE1-CB 4.24Å; Y512-A523 HydrophobicContact CE2-CB 4.16Å; Y512-F532 HydrophobicContact CD1-CE1 4.15Å; Y512-F532 HydrophobicContact CD2-CE1 4.33Å; Y512-F532 AromaticContact CG-CE1 3.89Å; Y512-F532 HydrophobicContact CG-CE1 3.89Å
513I94.3Very high91.1Very high12 Ų1240.1 Ų40.16%0.06222%0.222CC..EExtended strand (participates in β ladder)trans-9696.6-179.9-55.4-56.9000108.3F437 I446 V477 A480 Q501 A503 A511F437-I513 HydrophobicContact CB-CD1 4.06Å; F437-I513 HydrophobicContact CD1-CD1 3.76Å; F437-I513 HydrophobicContact CD2-CD1 4.38Å; F437-I513 HydrophobicContact CE1-CD1 4.28Å; F437-I513 HydrophobicContact CG-CD1 3.81Å; I446-I513 HydrophobicContact CD1-CG2 4.49Å; V477-I513 HydrophobicContact CB-CG2 4.02Å; V477-I513 HydrophobicContact CG1-CG2 3.46Å; V477-I513 VanDerWaalsContact CG1-CG2 3.46Å; V477-I513 HydrophobicContact CG2-CG2 3.34Å; A480-I513 HydrophobicContact CB-CD1 3.72Å; Q501-I513 PolarHBondContact O-N 3Å; A503-I513 HydrophobicContact CB-CD1 4.11Å; A503-I513 HydrophobicContact CB-CG1 3.59Å; A511-I513 HydrophobicContact CB-CD1 4.43Å
514A93.5Very high91.1Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-80.1130.6-177.300000111A478 T479 Y512 S516 L520A478-A514 PolarHBondContact N-O 2.97Å; T479-A514 HydrophobicContact CG2-CB 4.13Å; T479-A514 PolarHBondContact N-O 3.03Å; T479-A514 PolarHBondContact O-N 2.84Å; Y512-A514 HydrophobicContact CD1-CB 4.08Å; Y512-A514 HydrophobicContact CE1-CB 3.8Å; A514-S516 VanDerWaalsContact C-N 3.32Å; A514-L520 HydrophobicContact CB-CB 3.85Å
515T93.4Very high91.2Very high54 Ų5447.9 Ų47.933%0.33126%0.257SS..SBendtrans-76.6-22.1174.960.60000112.6N476N476-T515 WeakPolarHBondContact O-CG2 3.38Å
516S92.6Very high91.5Very high46 Ų4655.7 Ų55.732%0.32229%0.285SS..SBendtrans-156.2161.6175.275.30000111.1A514 V518 N519 L520A514-S516 VanDerWaalsContact C-N 3.32Å; S516-V518 PolarHBondContact O-N 3.41Å; S516-V518 PolarHBondContact OG-N 2.86Å; S516-N519 WeakPolarHBondContact O-CB 3.43Å; S516-N519 PolarHBondContact O-N 3.47Å; S516-N519 VanDerWaalsContact O-N 3.13Å; S516-N519 PolarHBondContact OG-N 3.47Å; S516-L520 PolarHBondContact O-N 3.29Å
517M91.3Very high92.2Very high92 Ų9256.7 Ų56.745%0.45328%0.283SS..Hα-helixtrans-64.7-20.5173.8-66.5-55.7-68.600113.3T479 L520 R521T479-M517 HydrophobicContact CG2-SD 4.04Å; M517-L520 HydrophobicContact CE-CD2 4.19Å; M517-L520 HydrophobicContact SD-CD2 4.42Å; M517-R521 WeakPolarHBondContact O-CG 3.46Å; M517-R521 PolarHBondContact O-N 2.97Å; M517-R521 PolarHBondContact O-NE 3.11Å; M517-R521 VanDerWaalsContact O-NE 3.12Å
518V92.8Very high92.9Very high84 Ų8460 Ų6051%0.50930%0.299SS..Hα-helixtrans-76.6-42.8172.9178.60000110.1S516 L520 R521 L522S516-V518 PolarHBondContact O-N 3.41Å; S516-V518 PolarHBondContact OG-N 2.86Å; V518-L520 VanDerWaalsContact C-N 3.3Å; V518-L520 PolarHBondContact O-N 2.9Å; V518-R521 PolarHBondContact O-N 3.34Å; V518-L522 HydrophobicContact CG1-CD1 4.06Å; V518-L522 HydrophobicContact CG1-CG 4.43Å; V518-L522 WeakPolarHBondContact O-CG 3.26Å; V518-L522 PolarHBondContact O-N 3Å
519N93.6Very high93.4Very high38 Ų3858.8 Ų58.820%0.20329%0.293CS..Hα-helixtrans-59.7-41.5174.5171.2-101.6000111.6Y512 S516 A523Y512-N519 WeakPolarHBondContact CE1-OD1 3.41Å; Y512-N519 VanDerWaalsContact OH-CG 3.3Å; Y512-N519 PolarHBondContact OH-ND2 3.02Å; Y512-N519 PolarHBondContact OH-OD1 3.46Å; S516-N519 WeakPolarHBondContact O-CB 3.43Å; S516-N519 PolarHBondContact O-N 3.47Å; S516-N519 VanDerWaalsContact O-N 3.13Å; S516-N519 PolarHBondContact OG-N 3.47Å; N519-A523 PolarHBondContact O-N 3.31Å; N519-A523 VanDerWaalsContact O-N 3.1Å
520L93.7Very high93.7Very high5 Ų557.1 Ų57.13%0.02628%0.284CS..Hα-helixtrans-61.4-50.1174.5179.360.4000112.1T479 R481 Y512 A514 S516 M517 V518 L522 A523 Q524 F532T479-L520 HydrophobicContact CG2-CD2 3.88Å; R481-L520 HydrophobicContact CG-CD1 3.9Å; R481-L520 HydrophobicContact CG-CD2 4Å; Y512-L520 HydrophobicContact CD1-CD1 4.17Å; Y512-L520 HydrophobicContact CE1-CD1 4.42Å; A514-L520 HydrophobicContact CB-CB 3.85Å; S516-L520 PolarHBondContact O-N 3.29Å; M517-L520 HydrophobicContact CE-CD2 4.19Å; M517-L520 HydrophobicContact SD-CD2 4.42Å; V518-L520 VanDerWaalsContact C-N 3.3Å; V518-L520 PolarHBondContact O-N 2.9Å; L520-L522 PolarHBondContact O-N 3.43Å; L520-A523 WeakPolarHBondContact O-CB 3.27Å; L520-A523 PolarHBondContact O-N 3.1Å; L520-A523 VanDerWaalsContact O-N 3.13Å; L520-Q524 HydrophobicContact CD1-CG 4.37Å; L520-Q524 WeakPolarHBondContact O-CG 3.36Å; L520-Q524 PolarHBondContact O-N 3.21Å; L520-F532 HydrophobicContact CD1-CD1 3.77Å; L520-F532 HydrophobicContact CD1-CE1 4.18Å; L520-F532 HydrophobicContact CD1-CG 4.49Å
521R94.2Very high93.6Very high139 Ų13961.5 Ų61.553%0.52530%0.304SS..Hα-helixtrans-59.7-44-179.9-80.7-178.9-88.3178.3-10.8112.4M517 V518 A523 Q524 E525M517-R521 WeakPolarHBondContact O-CG 3.46Å; M517-R521 PolarHBondContact O-N 2.97Å; M517-R521 PolarHBondContact O-NE 3.11Å; M517-R521 VanDerWaalsContact O-NE 3.12Å; V518-R521 PolarHBondContact O-N 3.34Å; R521-A523 VanDerWaalsContact C-N 3.29Å; R521-A523 PolarHBondContact O-N 2.93Å; R521-Q524 PolarHBondContact O-N 3.38Å; R521-E525 WeakPolarHBondContact O-CG 3.49Å; R521-E525 PolarHBondContact O-N 3.38Å
522L94.2Very high93.5Very high74 Ų7462.7 Ų62.739%0.38731%0.309SS..Hα-helixtrans-62.6-36.1176.1-72.1172.1000112.5V518 L520 R526V518-L522 HydrophobicContact CG1-CD1 4.06Å; V518-L522 HydrophobicContact CG1-CG 4.43Å; V518-L522 WeakPolarHBondContact O-CG 3.26Å; V518-L522 PolarHBondContact O-N 3Å; L520-L522 PolarHBondContact O-N 3.43Å; L522-R526 WeakPolarHBondContact O-CB 3.34Å; L522-R526 WeakPolarHBondContact O-CG 3.33Å; L522-R526 PolarHBondContact O-N 3.41Å
523A93.8Very high93.2Very high4 Ų465.6 Ų65.63%0.03332%0.322CS..Hα-helixtrans-66.7-44.1174.600000111.1Y512 N519 L520 R521 E525 R526 Y527 F532Y512-A523 HydrophobicContact CE1-CB 4.24Å; Y512-A523 HydrophobicContact CE2-CB 4.16Å; N519-A523 PolarHBondContact O-N 3.31Å; N519-A523 VanDerWaalsContact O-N 3.1Å; L520-A523 WeakPolarHBondContact O-CB 3.27Å; L520-A523 PolarHBondContact O-N 3.1Å; L520-A523 VanDerWaalsContact O-N 3.13Å; R521-A523 VanDerWaalsContact C-N 3.29Å; R521-A523 PolarHBondContact O-N 2.93Å; A523-E525 PolarHBondContact O-N 3.05Å; A523-R526 PolarHBondContact O-N 3.02Å; A523-Y527 WeakPolarHBondContact O-CD2 3.22Å; A523-Y527 PolarHBondContact O-N 3.05Å; A523-F532 HydrophobicContact CB-CE1 4.34Å; A523-F532 HydrophobicContact CB-CZ 4.1Å
524Q94.5Very high92.4Very high75 Ų7570.9 Ų70.935%0.3535%0.347SS..Hα-helixtrans-62.3-41.9176.5-70.5175.2-44.100112.4L520 R521 Y527 F532L520-Q524 HydrophobicContact CD1-CG 4.37Å; L520-Q524 WeakPolarHBondContact O-CG 3.36Å; L520-Q524 PolarHBondContact O-N 3.21Å; R521-Q524 PolarHBondContact O-N 3.38Å; Q524-Y527 CarbonylContact O-C 3.48Å; Q524-F532 HydrophobicContact CB-CE2 4.48Å; Q524-F532 HydrophobicContact CG-CB 4.33Å; Q524-F532 HydrophobicContact CG-CD1 4.34Å; Q524-F532 HydrophobicContact CG-CD2 3.57Å; Q524-F532 HydrophobicContact CG-CE2 3.84Å; Q524-F532 HydrophobicContact CG-CG 3.84Å; Q524-F532 HydrophobicContact CG-CZ 4.33Å
525E93.4Very high91.3Very high143 Ų14374.3 Ų74.367%0.66837%0.368SS*.Hα-helixtrans-67.6-38.4177.6-74173.3-172.500112.8R521 A523R521-E525 WeakPolarHBondContact O-CG 3.49Å; R521-E525 PolarHBondContact O-N 3.38Å; A523-E525 PolarHBondContact O-N 3.05Å
526R94.1Very high90Very high177 Ų17774.3 Ų74.367%0.66836%0.362SS*.Hα-helixtrans-74.9-27.4179.6-75.2174.9-179.1-175.80.8113.2L522 A523 P528L522-R526 WeakPolarHBondContact O-CB 3.34Å; L522-R526 WeakPolarHBondContact O-CG 3.33Å; L522-R526 PolarHBondContact O-N 3.41Å; A523-R526 PolarHBondContact O-N 3.02Å; R526-P528 VanDerWaalsContact C-CD 3.46Å
527Y95Very high88.2Confident41 Ų4179.1 Ų79.116%0.16138%0.379CS..  trans-128.865.1-175.1-57.9-79.5000110.8F494 K497 N498 A523 Q524 D529 V530F494-Y527 HydrophobicContact CB-CD1 3.94Å; F494-Y527 HydrophobicContact CB-CE1 4.13Å; F494-Y527 HydrophobicContact CB-CG 4.36Å; F494-Y527 HydrophobicContact CD2-CD1 4.07Å; F494-Y527 AromaticContact CD2-CD2 3.61Å; F494-Y527 HydrophobicContact CD2-CD2 3.61Å; F494-Y527 HydrophobicContact CD2-CE1 4.42Å; F494-Y527 HydrophobicContact CD2-CE2 4Å; F494-Y527 AromaticContact CD2-CG 3.66Å; F494-Y527 HydrophobicContact CD2-CG 3.66Å; F494-Y527 HydrophobicContact CE2-CD2 4.17Å; F494-Y527 HydrophobicContact CE2-CG 4.5Å; F494-Y527 HydrophobicContact CG-CG 4.46Å; K497-Y527 WeakPolarHBondContact CB-OH 3.39Å; N498-Y527 VanDerWaalsContact ND2-CE2 3.27Å; N498-Y527 WeakPolarHBondContact ND2-CE2 3.43Å; A523-Y527 WeakPolarHBondContact O-CD2 3.22Å; A523-Y527 PolarHBondContact O-N 3.05Å; Q524-Y527 CarbonylContact O-C 3.48Å; Y527-D529 PolarHBondContact O-N 3.09Å; Y527-D529 VanDerWaalsContact O-N 3.16Å; Y527-V530 PolarHBondContact O-N 2.66Å
528P92.7Very high86.2Confident99 Ų9977.2 Ų77.264%0.64337%0.369SS*.THydrogen-bonded Turntrans-65.1-20.2-175.327.5-36.2000113.6R526 V530R526-P528 VanDerWaalsContact C-CD 3.46Å; P528-V530 VanDerWaalsContact C-N 3.29Å
529D93.6Very high85.9Confident79 Ų7976.9 Ų76.942%0.42236%0.362SS..THydrogen-bonded Turntrans-78.6-11.7175.2-57.2-88.1000113.6C485 K490 Y527C485-D529 PolarHBondContact SG-O 2.76Å; K490-D529 HydrophobicContact CD-CB 3.78Å; K490-D529 VanDerWaalsContact CD-CG 3.46Å; K490-D529 WeakPolarHBondContact CD-OD2 3.42Å; K490-D529 WeakPolarHBondContact CE-OD2 3.46Å; K490-D529 IonicContact NZ-OD1 2.76Å; K490-D529 PolarHBondContact NZ-OD1 2.91Å; K490-D529 IonicContact NZ-OD2 3.57Å; K490-D529 PolarHBondContact NZ-OD2 2.85Å; Y527-D529 PolarHBondContact O-N 3.09Å; Y527-D529 VanDerWaalsContact O-N 3.16Å
530V94Very high85.5Confident8 Ų878.9 Ų78.95%0.04837%0.37CS..SBendtrans-94.9123.8176.6-178.60000108.3V483 C485 F491 F494 Y527 P528 F532V483-V530 HydrophobicContact CB-CG1 3.98Å; V483-V530 HydrophobicContact CG1-CG1 4.11Å; C485-V530 HydrophobicContact CB-CG2 4.11Å; F491-V530 HydrophobicContact CD2-CG2 4.41Å; F491-V530 HydrophobicContact CE2-CG1 4.5Å; F494-V530 HydrophobicContact CB-CG2 4.1Å; F494-V530 HydrophobicContact CD1-CG1 4.43Å; F494-V530 HydrophobicContact CD1-CG2 4.41Å; F494-V530 HydrophobicContact CD2-CG2 4.32Å; F494-V530 HydrophobicContact CE1-CG1 4.32Å; F494-V530 HydrophobicContact CG-CG2 4.02Å; F494-V530 HydrophobicContact CZ-CG1 4.41Å; Y527-V530 PolarHBondContact O-N 2.66Å; P528-V530 VanDerWaalsContact C-N 3.29Å; V530-F532 HydrophobicContact CB-CE2 3.92Å; V530-F532 HydrophobicContact CG1-CD2 4.25Å; V530-F532 HydrophobicContact CG1-CE2 3.78Å; V530-F532 HydrophobicContact CG1-CZ 4.14Å; V530-F532 VanDerWaalsContact O-CD2 3.26Å; V530-F532 WeakPolarHBondContact O-CD2 3.19Å; V530-F532 WeakPolarHBondContact O-CE2 3.48Å
531Q92.7Very high85.1Confident119 Ų11983 Ų8356%0.55639%0.39SS*.EExtended strand (participates in β ladder)trans-86.2136.6175.9-60.6-173.50.900109.7V483 E484 H533V483-Q531 VanDerWaalsContact CA-O 3.31Å; V483-Q531 WeakPolarHBondContact CA-O 3.44Å; E484-Q531 PolarHBondContact N-O 2.79Å; E484-Q531 VanDerWaalsContact N-O 3.16Å; E484-Q531 PolarHBondContact O-N 3.03Å; Q531-H533 VanDerWaalsContact CB-NE2 3.33Å; Q531-H533 WeakPolarHBondContact CB-NE2 3.18Å; Q531-H533 PolarHBondContact OE1-CE1 3.25Å; Q531-H533 PolarHBondContact OE1-NE2 2.99Å
532F92.1Very high84.5Confident25 Ų2579.7 Ų79.711%0.1138%0.382CS..EExtended strand (participates in β ladder)trans-118.5103.7-179.5-69.7-105.8000108.8R481 W482 V483 F494 Y512 L520 A523 Q524 V530R481-F532 HydrophobicContact CB-CB 4.03Å; R481-F532 HydrophobicContact CB-CD1 4.01Å; R481-F532 HydrophobicContact CG-CB 4.35Å; W482-F532 CarbonylContact O-C 3.55Å; W482-F532 WeakPolarHBondContact O-CA 2.97Å; V483-F532 HydrophobicContact CG1-CD1 3.52Å; V483-F532 HydrophobicContact CG1-CE1 3.61Å; V483-F532 HydrophobicContact CG1-CG 4.05Å; V483-F532 HydrophobicContact CG1-CZ 4.21Å; F494-F532 HydrophobicContact CE2-CE1 4.38Å; F494-F532 AromaticContact CE2-CZ 3.83Å; F494-F532 HydrophobicContact CE2-CZ 3.83Å; F494-F532 HydrophobicContact CZ-CE1 4.22Å; F494-F532 HydrophobicContact CZ-CZ 4.03Å; Y512-F532 HydrophobicContact CD1-CE1 4.15Å; Y512-F532 HydrophobicContact CD2-CE1 4.33Å; Y512-F532 AromaticContact CG-CE1 3.89Å; Y512-F532 HydrophobicContact CG-CE1 3.89Å; L520-F532 HydrophobicContact CD1-CD1 3.77Å; L520-F532 HydrophobicContact CD1-CE1 4.18Å; L520-F532 HydrophobicContact CD1-CG 4.49Å; A523-F532 HydrophobicContact CB-CE1 4.34Å; A523-F532 HydrophobicContact CB-CZ 4.1Å; Q524-F532 HydrophobicContact CB-CE2 4.48Å; Q524-F532 HydrophobicContact CG-CB 4.33Å; Q524-F532 HydrophobicContact CG-CD1 4.34Å; Q524-F532 HydrophobicContact CG-CD2 3.57Å; Q524-F532 HydrophobicContact CG-CE2 3.84Å; Q524-F532 HydrophobicContact CG-CG 3.84Å; Q524-F532 HydrophobicContact CG-CZ 4.33Å; V530-F532 HydrophobicContact CB-CE2 3.92Å; V530-F532 HydrophobicContact CG1-CD2 4.25Å; V530-F532 HydrophobicContact CG1-CE2 3.78Å; V530-F532 HydrophobicContact CG1-CZ 4.14Å; V530-F532 VanDerWaalsContact O-CD2 3.26Å; V530-F532 WeakPolarHBondContact O-CD2 3.19Å; V530-F532 WeakPolarHBondContact O-CE2 3.48Å
533H86.8Confident83.9Confident63 Ų6380.1 Ų80.129%0.29238%0.381SS..EExtended strand (participates in β ladder)trans-92.2134.3-174.6-57.8-89.4000111.3R481 W482 Q531 T535R481-H533 WeakPolarHBondContact CA-O 3.24Å; R481-H533 VanDerWaalsContact CD-O 3.24Å; R481-H533 WeakPolarHBondContact CD-O 3.37Å; W482-H533 PolarHBondContact N-O 3.07Å; W482-H533 VanDerWaalsContact N-O 3.16Å; W482-H533 PolarHBondContact O-N 3.42Å; Q531-H533 VanDerWaalsContact CB-NE2 3.33Å; Q531-H533 WeakPolarHBondContact CB-NE2 3.18Å; Q531-H533 PolarHBondContact OE1-CE1 3.25Å; Q531-H533 PolarHBondContact OE1-NE2 2.99Å; H533-T535 WeakPolarHBondContact CB-O 3.37Å
534Q78.8Confident83.3Confident124 Ų12485.1 Ų85.158%0.57940%0.404SS*.SBendtrans-79.9-28.4174.2-54.3-161.2-3.100112.4A403A403-Q534 WeakPolarHBondContact CB-O 3.43Å; A403-Q534 PolarHBondContact N-O 2.7Å
535T68.8Low82.4Confident72 Ų7285.9 Ų85.944%0.44241%0.408SS..SBendtrans-129.5157.5-18053.60000107.3N401 H533N401-T535 WeakPolarHBondContact O-CA 3.28Å; N401-T535 WeakPolarHBondContact O-CB 3.4Å; N401-T535 VanDerWaalsContact O-CG2 3.27Å; N401-T535 WeakPolarHBondContact O-CG2 3.48Å; H533-T535 WeakPolarHBondContact CB-O 3.37Å
536R66.5Low81.6Confident54 Ų5481.5 Ų81.520%0.20439%0.388CS..  trans-114.8118.6170.1-171.8-175.4179.4-176.18.9108N401 W482 N509 H538N401-R536 WeakPolarHBondContact CB-O 3.44Å; W482-R536 HydrophobicContact CD2-CB 4.38Å; W482-R536 HydrophobicContact CE3-CB 4.41Å; N509-R536 VanDerWaalsContact CG-CZ 3.48Å; N509-R536 PolarHBondContact ND2-NH1 3.4Å; N509-R536 PolarHBondContact OD1-NH1 2.82Å; N509-R536 PolarHBondContact OD1-NH2 3.36Å; R536-H538 PolarHBondContact O-N 3.45Å; R536-H538 VanDerWaalsContact O-N 3.14Å
537E55.1Low80.6Confident147 Ų14773.5 Ų73.569%0.68737%0.365SS*.  trans-74.3104.5160.4-70.2-169.8160.600106.5
538H50.7Low79.3Confident51 Ų5176.5 Ų76.524%0.23638%0.384CS..  trans-51.20168.6-86.2-65.4000109.7I384 K395 N401 R536I384-H538 PolarHBondContact O-ND1 3.25Å; K395-H538 WeakPolarHBondContact CE-O 3.31Å; K395-H538 WeakPolarHBondContact CE-OXT 3.43Å; K395-H538 PolarHBondContact NZ-O 3.07Å; K395-H538 PolarHBondContact NZ-OXT 2.99Å; N401-H538 PolarHBondContact ND2-NE2 3.43Å; N401-H538 VanDerWaalsContact ND2-NE2 3.16Å; R536-H538 PolarHBondContact O-N 3.45Å; R536-H538 VanDerWaalsContact O-N 3.14Å

Retrieved 538 of 538 residues in 260.7 ms (Link to these results)

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