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Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.

AlphaFold DB , UniProt , Accession G4VNT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 980 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
1M57.4Low83.3Confident68 Ų6868.3 Ų68.334%0.33533%0.332SS..  0137.90-72.4-174.5-175.300111.9N3 K127 I128 P129 Y192 V250M1-N3 VanDerWaalsContact CB-OD1 3.25Å; M1-N3 WeakPolarHBondContact CB-OD1 3.44Å; M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 PolarHBondContact O-OD1 3.09Å; M1-K127 PolarHBondContact N-O 3.49Å; M1-I128 HydrophobicContact CE-CB 4.3Å; M1-I128 HydrophobicContact CE-CG1 4.23Å; M1-I128 HydrophobicContact CE-CG2 3.93Å; M1-P129 HydrophobicContact CE-CG 4.23Å; M1-Y192 HydrophobicContact CE-CE1 4.43Å; M1-Y192 HydrophobicContact CE-CE2 3.72Å; M1-Y192 WeakPolarHBondContact CE-OH 3.49Å; M1-V250 HydrophobicContact CE-CG1 3.82Å
2N57.5Low84.3Confident103 Ų10370.8 Ų70.855%0.55134%0.34SS*.  trans-86.486.9168.9-172.94.8000109K4 I5N2-K4 PolarHBondContact O-N 3.24Å; N2-I5 PolarHBondContact O-N 2.94Å
3N66Low85.3Confident87 Ų8768.6 Ų68.647%0.46533%0.329SS..THydrogen-bonded Turntrans-64.915.1-175.2-63.93.5000114.8M1 L251M1-N3 VanDerWaalsContact CB-OD1 3.25Å; M1-N3 WeakPolarHBondContact CB-OD1 3.44Å; M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 PolarHBondContact O-OD1 3.09Å; N3-L251 WeakPolarHBondContact CA-O 3.36Å
4K76.6Confident86.2Confident185 Ų18563.7 Ų63.780%0.80431%0.306SS*.THydrogen-bonded Turntrans-1234.8-178.8-65.2-173.2177.4-177.90113.3N2 T6N2-K4 PolarHBondContact O-N 3.24Å; K4-T6 PolarHBondContact O-N 3.38Å
5I91.8Very high87Confident10 Ų1062.1 Ų62.15%0.05130%0.297CS..  trans-65130.5178.1-161.8167.5000110N2 E9 L10 L251 Q252N2-I5 PolarHBondContact O-N 2.94Å; I5-E9 HydrophobicContact CD1-CG 4.19Å; I5-E9 HydrophobicContact CG1-CB 3.86Å; I5-E9 HydrophobicContact CG1-CG 3.78Å; I5-L10 HydrophobicContact CD1-CB 3.99Å; I5-L10 HydrophobicContact CD1-CD1 4.17Å; I5-L10 HydrophobicContact CG1-CB 4.2Å; I5-L251 HydrophobicContact CG2-CB 3.62Å; I5-L251 HydrophobicContact CG2-CD1 4.29Å; I5-Q252 WeakPolarHBondContact O-CG 3.49Å; I5-Q252 PolarHBondContact O-NE2 2.84Å
6T93.8Very high87.7Confident65 Ų6563.7 Ų63.740%0.39930%0.304SS..  trans-86.5161.917562.90000109.8K4 K8 E9 L10 D261K4-T6 PolarHBondContact O-N 3.38Å; T6-K8 PolarHBondContact O-N 2.85Å; T6-E9 PolarHBondContact O-N 3.45Å; T6-E9 WeakPolarHBondContact OG1-CB 3.42Å; T6-E9 PolarHBondContact OG1-N 3.47Å; T6-L10 WeakPolarHBondContact O-CB 3.48Å; T6-L10 PolarHBondContact O-N 3.49Å; T6-D261 WeakPolarHBondContact CA-OD2 3.43Å; T6-D261 WeakPolarHBondContact CB-OD2 3.45Å
7A94.1Very high88.3Confident6 Ų660.7 Ų60.75%0.0529%0.289CS..Hα-helixtrans-53.3-44173.800000111.9E9 L10 R11 F244 L248 D261 L262A7-E9 PolarHBondContact O-N 3.39Å; A7-L10 PolarHBondContact O-N 2.7Å; A7-R11 PolarHBondContact O-N 3.27Å; A7-R11 VanDerWaalsContact O-N 3.09Å; A7-F244 HydrophobicContact CB-CE1 4.19Å; A7-F244 HydrophobicContact CB-CZ 3.81Å; A7-F244 VanDerWaalsContact O-CZ 3.28Å; A7-F244 WeakPolarHBondContact O-CZ 3.28Å; A7-L248 HydrophobicContact CB-CD1 4.35Å; A7-L248 HydrophobicContact CB-CD2 3.7Å; A7-D261 PolarHBondContact N-OD1 3.33Å; A7-D261 PolarHBondContact N-OD2 3.41Å; A7-L262 HydrophobicContact CB-CD2 3.58Å; A7-L262 HydrophobicContact CB-CG 3.87Å
8K93.2Very high88.9Confident132 Ų13257.4 Ų57.457%0.57427%0.274SS*.Hα-helixtrans-62.3-44.3179.2-174.9168.6-179.8163.40112.4T6 K12 D359T6-K8 PolarHBondContact O-N 2.85Å; K8-K12 WeakPolarHBondContact O-CB 3.47Å; K8-K12 PolarHBondContact O-N 3.13Å; K8-K12 VanDerWaalsContact O-N 3.1Å; K8-D359 IonicContact NZ-OD2 2.76Å; K8-D359 PolarHBondContact NZ-OD2 3.38Å
9E94.7Very high89.3Confident73 Ų7360.6 Ų60.634%0.34129%0.288SS..Hα-helixtrans-68.4-40.7179.6-177.758.7-158.800111.7I5 T6 A7 R11 K12 Q13I5-E9 HydrophobicContact CD1-CG 4.19Å; I5-E9 HydrophobicContact CG1-CB 3.86Å; I5-E9 HydrophobicContact CG1-CG 3.78Å; T6-E9 PolarHBondContact O-N 3.45Å; T6-E9 WeakPolarHBondContact OG1-CB 3.42Å; T6-E9 PolarHBondContact OG1-N 3.47Å; A7-E9 PolarHBondContact O-N 3.39Å; E9-R11 PolarHBondContact O-N 2.93Å; E9-K12 WeakPolarHBondContact O-CB 3.17Å; E9-K12 PolarHBondContact O-N 3.27Å; E9-Q13 WeakPolarHBondContact O-CG 3.5Å; E9-Q13 PolarHBondContact O-N 3.19Å; E9-Q13 PolarHBondContact OE1-NE2 3.04Å
10L95.6Very high89.7Confident0 Ų062 Ų620%030%0.304CS..Hα-helixtrans-57.7-49.8175.6175.264.3000111.9I5 T6 A7 K12 Q13 F14 W126 F244 V247 L248 L251I5-L10 HydrophobicContact CD1-CB 3.99Å; I5-L10 HydrophobicContact CD1-CD1 4.17Å; I5-L10 HydrophobicContact CG1-CB 4.2Å; T6-L10 WeakPolarHBondContact O-CB 3.48Å; T6-L10 PolarHBondContact O-N 3.49Å; A7-L10 PolarHBondContact O-N 2.7Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 2.74Å; L10-Q13 PolarHBondContact O-N 3.02Å; L10-F14 PolarHBondContact O-N 3.29Å; L10-W126 HydrophobicContact CD1-CD2 4Å; L10-W126 HydrophobicContact CD1-CE3 4.39Å; L10-W126 HydrophobicContact CD1-CH2 3.72Å; L10-W126 HydrophobicContact CD1-CZ2 3.24Å; L10-W126 HydrophobicContact CD1-CZ3 4.28Å; L10-W126 HydrophobicContact CG-CZ2 4.31Å; L10-F244 HydrophobicContact CB-CE2 4.18Å; L10-F244 HydrophobicContact CD2-CD2 3.86Å; L10-F244 HydrophobicContact CD2-CE2 3.54Å; L10-F244 HydrophobicContact CD2-CZ 4.47Å; L10-F244 HydrophobicContact CG-CD2 4.39Å; L10-F244 HydrophobicContact CG-CE2 3.87Å; L10-V247 HydrophobicContact CD2-CG1 3.95Å; L10-L248 HydrophobicContact CB-CD1 4.46Å; L10-L248 HydrophobicContact CD2-CB 3.76Å; L10-L248 HydrophobicContact CD2-CD1 3.79Å; L10-L248 HydrophobicContact CD2-CG 4.37Å; L10-L251 HydrophobicContact CD1-CD1 3.39Å; L10-L251 HydrophobicContact CD2-CD1 4.43Å; L10-L251 HydrophobicContact CG-CD1 4.49Å
11R95.8Very high90.1Very high22 Ų2261 Ų618%0.08330%0.299CS..Hα-helixtrans-61.1-41.5178.4-168.3-177-59.797.5-6.6111.4A7 E9 F14 F15 E99 L101 F244A7-R11 PolarHBondContact O-N 3.27Å; A7-R11 VanDerWaalsContact O-N 3.09Å; E9-R11 PolarHBondContact O-N 2.93Å; R11-F14 PolarHBondContact O-N 3.22Å; R11-F15 HydrophobicContact CG-CE1 4.07Å; R11-F15 HydrophobicContact CG-CE2 4.05Å; R11-F15 HydrophobicContact CG-CZ 3.73Å; R11-F15 WeakPolarHBondContact O-CG 3.42Å; R11-F15 PolarHBondContact O-N 3.11Å; R11-F15 VanDerWaalsContact O-N 3.08Å; R11-E99 IonicContact CZ-OE1 3.09Å; R11-E99 IonicContact CZ-OE2 2.69Å; R11-E99 IonicContact NE-OE2 2.7Å; R11-E99 PolarHBondContact NE-OE2 2.95Å; R11-E99 VanDerWaalsContact NH2-CD 3.25Å; R11-E99 IonicContact NH2-OE1 3.5Å; R11-E99 PolarHBondContact NH2-OE1 3.47Å; R11-E99 IonicContact NH2-OE2 3.33Å; R11-E99 PolarHBondContact NH2-OE2 3.14Å; R11-L101 HydrophobicContact CG-CD2 4.29Å; R11-F244 HydrophobicContact CB-CE2 4.06Å; R11-F244 HydrophobicContact CB-CZ 4.3Å
12K95.7Very high92Very high99 Ų9960.2 Ų60.243%0.4331%0.308SS..Hα-helixtrans-61.1-46.6176.9-175.8173.4179.8-80.30111.9K8 E9 L10 F14 F15 E16K8-K12 WeakPolarHBondContact O-CB 3.47Å; K8-K12 PolarHBondContact O-N 3.13Å; K8-K12 VanDerWaalsContact O-N 3.1Å; E9-K12 WeakPolarHBondContact O-CB 3.17Å; E9-K12 PolarHBondContact O-N 3.27Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 2.74Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-F14 PolarHBondContact O-N 3.38Å; K12-F15 PolarHBondContact O-N 3.39Å; K12-F15 VanDerWaalsContact O-N 3.17Å; K12-E16 VanDerWaalsContact CE-OE1 3.27Å; K12-E16 WeakPolarHBondContact CE-OE1 3.22Å; K12-E16 HydrophobicContact CG-CG 4.43Å; K12-E16 IonicContact NZ-OE1 3.64Å; K12-E16 PolarHBondContact NZ-OE1 3.33Å; K12-E16 IonicContact NZ-OE2 2.76Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 3.46Å
13Q96.9Very high93.9Very high42 Ų4255.7 Ų55.720%0.19628%0.283CS..Hα-helixtrans-63.6-38.4178.2-72.2-17819.200112.5E9 L10 F15 F17 W126E9-Q13 WeakPolarHBondContact O-CG 3.5Å; E9-Q13 PolarHBondContact O-N 3.19Å; E9-Q13 PolarHBondContact OE1-NE2 3.04Å; L10-Q13 PolarHBondContact O-N 3.02Å; Q13-F15 VanDerWaalsContact C-N 3.33Å; Q13-F15 PolarHBondContact O-N 2.87Å; Q13-F17 VanDerWaalsContact O-CB 3.28Å; Q13-F17 WeakPolarHBondContact O-CB 3.47Å; Q13-F17 PolarHBondContact O-N 2.96Å; Q13-W126 VanDerWaalsContact OE1-CD1 3.28Å
14F97.9Very high95.4Very high0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-59.7-44.7173-179.7-93.8000111.3L10 R11 K12 F17 F18 L101 L121 W126 M242L10-F14 PolarHBondContact O-N 3.29Å; R11-F14 PolarHBondContact O-N 3.22Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-F14 PolarHBondContact O-N 3.38Å; F14-F17 PolarHBondContact O-N 2.9Å; F14-F18 HydrophobicContact CD1-CD2 4.33Å; F14-F18 HydrophobicContact CD2-CD2 4.05Å; F14-F18 AromaticContact CD2-CE2 3.86Å; F14-F18 HydrophobicContact CD2-CE2 3.86Å; F14-F18 AromaticContact CE1-CD2 3.95Å; F14-F18 HydrophobicContact CE1-CD2 3.95Å; F14-F18 HydrophobicContact CE1-CE2 4.35Å; F14-F18 AromaticContact CE2-CD2 3.69Å; F14-F18 HydrophobicContact CE2-CD2 3.69Å; F14-F18 AromaticContact CE2-CE2 3.29Å; F14-F18 HydrophobicContact CE2-CE2 3.29Å; F14-F18 HydrophobicContact CE2-CZ 4.4Å; F14-F18 HydrophobicContact CG-CD2 4.34Å; F14-F18 AromaticContact CZ-CD2 3.59Å; F14-F18 HydrophobicContact CZ-CD2 3.59Å; F14-F18 AromaticContact CZ-CE2 3.54Å; F14-F18 HydrophobicContact CZ-CE2 3.54Å; F14-F18 WeakPolarHBondContact O-CD2 3.4Å; F14-F18 PolarHBondContact O-N 3.46Å; F14-L101 HydrophobicContact CB-CD1 4.07Å; F14-L101 HydrophobicContact CD1-CB 4.14Å; F14-L101 HydrophobicContact CD1-CD1 4.24Å; F14-L101 HydrophobicContact CD1-CD2 4.08Å; F14-L101 HydrophobicContact CD1-CG 4.39Å; F14-L101 HydrophobicContact CD2-CB 4.17Å; F14-L101 HydrophobicContact CD2-CD1 3.95Å; F14-L101 HydrophobicContact CE1-CB 3.91Å; F14-L101 HydrophobicContact CE1-CD2 4.45Å; F14-L101 HydrophobicContact CE2-CB 3.89Å; F14-L101 HydrophobicContact CE2-CD1 4.49Å; F14-L101 HydrophobicContact CG-CB 4.32Å; F14-L101 HydrophobicContact CG-CD1 3.84Å; F14-L101 HydrophobicContact CG-CD2 4.49Å; F14-L101 HydrophobicContact CG-CG 4.45Å; F14-L101 HydrophobicContact CZ-CB 3.8Å; F14-L121 HydrophobicContact CD2-CD2 3.76Å; F14-L121 HydrophobicContact CE2-CD2 4.19Å; F14-W126 HydrophobicContact CB-CZ2 4.16Å; F14-W126 HydrophobicContact CD2-CH2 4.28Å; F14-M242 HydrophobicContact CE2-CE 4.47Å
15F97.7Very high96.3Very high39 Ų3950.8 Ų50.817%0.17126%0.262CS..Hα-helixtrans-64.2-50178.5-70.3-2.5000112.4R11 K12 Q13 F17 F18 E19 Y25 Y70R11-F15 HydrophobicContact CG-CE1 4.07Å; R11-F15 HydrophobicContact CG-CE2 4.05Å; R11-F15 HydrophobicContact CG-CZ 3.73Å; R11-F15 WeakPolarHBondContact O-CG 3.42Å; R11-F15 PolarHBondContact O-N 3.11Å; R11-F15 VanDerWaalsContact O-N 3.08Å; K12-F15 PolarHBondContact O-N 3.39Å; K12-F15 VanDerWaalsContact O-N 3.17Å; Q13-F15 VanDerWaalsContact C-N 3.33Å; Q13-F15 PolarHBondContact O-N 2.87Å; F15-F17 VanDerWaalsContact C-N 3.26Å; F15-F17 PolarHBondContact O-N 2.72Å; F15-F18 PolarHBondContact O-N 2.96Å; F15-E19 VanDerWaalsContact O-CB 3.23Å; F15-E19 WeakPolarHBondContact O-CB 3.38Å; F15-E19 PolarHBondContact O-N 3.41Å; F15-Y25 HydrophobicContact CD2-CE2 4.32Å; F15-Y25 HydrophobicContact CE2-CD2 4.39Å; F15-Y25 AromaticContact CE2-CE2 3.76Å; F15-Y25 HydrophobicContact CE2-CE2 3.76Å; F15-Y25 AromaticContact CZ-CE2 3.88Å; F15-Y25 HydrophobicContact CZ-CE2 3.88Å; F15-Y70 VanDerWaalsContact CA-CE2 3.46Å; F15-Y70 HydrophobicContact CB-CD2 4.25Å; F15-Y70 HydrophobicContact CB-CE2 3.48Å; F15-Y70 VanDerWaalsContact CB-CE2 3.48Å; F15-Y70 AromaticContact CD1-CD2 3.56Å; F15-Y70 HydrophobicContact CD1-CD2 3.56Å; F15-Y70 AromaticContact CD1-CE2 3.53Å; F15-Y70 HydrophobicContact CD1-CE2 3.53Å; F15-Y70 HydrophobicContact CD2-CE2 4.33Å; F15-Y70 HydrophobicContact CE1-CD2 4.21Å; F15-Y70 HydrophobicContact CE1-CE2 4.38Å; F15-Y70 HydrophobicContact CG-CD2 4.08Å; F15-Y70 AromaticContact CG-CE2 3.53Å; F15-Y70 HydrophobicContact CG-CE2 3.53Å
16E98Very high96.4Very high88 Ų8851.8 Ų51.841%0.41127%0.269SS..Hα-helixtrans-60.5-37.5178.7-70.9173.3164.200111.8K12 S20K12-E16 VanDerWaalsContact CE-OE1 3.27Å; K12-E16 WeakPolarHBondContact CE-OE1 3.22Å; K12-E16 HydrophobicContact CG-CG 4.43Å; K12-E16 IonicContact NZ-OE1 3.64Å; K12-E16 PolarHBondContact NZ-OE1 3.33Å; K12-E16 IonicContact NZ-OE2 2.76Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 3.46Å; E16-S20 WeakPolarHBondContact O-CB 3.49Å; E16-S20 PolarHBondContact O-N 3.45Å
17F98.5Very high96.4Very high13 Ų1352.1 Ų52.16%0.05727%0.266CS..Hα-helixtrans-62.8-53.3177.5-178.7-100.6000111.8Q13 F14 F15 S20 K21 W117 E120 L121 V125Q13-F17 VanDerWaalsContact O-CB 3.28Å; Q13-F17 WeakPolarHBondContact O-CB 3.47Å; Q13-F17 PolarHBondContact O-N 2.96Å; F14-F17 PolarHBondContact O-N 2.9Å; F15-F17 VanDerWaalsContact C-N 3.26Å; F15-F17 PolarHBondContact O-N 2.72Å; F17-S20 WeakPolarHBondContact O-CB 3.49Å; F17-S20 PolarHBondContact O-N 3.05Å; F17-S20 PolarHBondContact O-OG 3.49Å; F17-K21 WeakPolarHBondContact O-CG 3.42Å; F17-K21 PolarHBondContact O-N 2.85Å; F17-W117 HydrophobicContact CE1-CB 4.08Å; F17-W117 HydrophobicContact CZ-CB 4.23Å; F17-W117 WeakPolarHBondContact CZ-O 3.48Å; F17-E120 HydrophobicContact CE2-CB 4.38Å; F17-E120 HydrophobicContact CE2-CG 3.87Å; F17-E120 HydrophobicContact CZ-CB 4.07Å; F17-E120 HydrophobicContact CZ-CG 4.03Å; F17-L121 HydrophobicContact CB-CD1 4.03Å; F17-L121 HydrophobicContact CD1-CB 4.13Å; F17-L121 HydrophobicContact CD1-CD1 4.03Å; F17-L121 HydrophobicContact CD1-CD2 4.26Å; F17-L121 HydrophobicContact CD1-CG 4.37Å; F17-L121 HydrophobicContact CD2-CD1 4.23Å; F17-L121 HydrophobicContact CE1-CB 3.85Å; F17-L121 HydrophobicContact CE2-CB 4.45Å; F17-L121 HydrophobicContact CG-CD1 3.83Å; F17-L121 HydrophobicContact CZ-CB 4.02Å; F17-V125 HydrophobicContact CD2-CG2 3.85Å; F17-V125 HydrophobicContact CE2-CG2 3.98Å
18F98.3Very high96.4Very high1 Ų152.2 Ų52.20%0.00427%0.266CS..Hα-helixtrans-74.3-29.4-178.1-78.9-70.9000113.5F14 F15 S20 K21 G22 H23 Y70 N103 W117 L121 W215F14-F18 HydrophobicContact CD1-CD2 4.33Å; F14-F18 HydrophobicContact CD2-CD2 4.05Å; F14-F18 AromaticContact CD2-CE2 3.86Å; F14-F18 HydrophobicContact CD2-CE2 3.86Å; F14-F18 AromaticContact CE1-CD2 3.95Å; F14-F18 HydrophobicContact CE1-CD2 3.95Å; F14-F18 HydrophobicContact CE1-CE2 4.35Å; F14-F18 AromaticContact CE2-CD2 3.69Å; F14-F18 HydrophobicContact CE2-CD2 3.69Å; F14-F18 AromaticContact CE2-CE2 3.29Å; F14-F18 HydrophobicContact CE2-CE2 3.29Å; F14-F18 HydrophobicContact CE2-CZ 4.4Å; F14-F18 HydrophobicContact CG-CD2 4.34Å; F14-F18 AromaticContact CZ-CD2 3.59Å; F14-F18 HydrophobicContact CZ-CD2 3.59Å; F14-F18 AromaticContact CZ-CE2 3.54Å; F14-F18 HydrophobicContact CZ-CE2 3.54Å; F14-F18 WeakPolarHBondContact O-CD2 3.4Å; F14-F18 PolarHBondContact O-N 3.46Å; F15-F18 PolarHBondContact O-N 2.96Å; F18-S20 VanDerWaalsContact C-N 3.28Å; F18-S20 PolarHBondContact O-N 3.43Å; F18-K21 PolarHBondContact O-N 3.33Å; F18-K21 VanDerWaalsContact O-N 3.09Å; F18-G22 PolarHBondContact O-N 3.07Å; F18-H23 HydrophobicContact CB-CB 4.24Å; F18-H23 AromaticContact CD1-CE1 3.74Å; F18-H23 AromaticContact CD1-ND1 3.91Å; F18-H23 AromaticContact CD1-NE2 3.94Å; F18-H23 WeakPolarHBondContact O-CB 3.5Å; F18-H23 PolarHBondContact O-N 3.33Å; F18-H23 VanDerWaalsContact O-N 3.13Å; F18-H23 PolarHBondContact O-ND1 2.71Å; F18-Y70 HydrophobicContact CB-CD1 4.08Å; F18-Y70 HydrophobicContact CB-CD2 4.44Å; F18-Y70 HydrophobicContact CB-CG 3.85Å; F18-N103 HydrophobicContact CD1-CB 3.63Å; F18-N103 HydrophobicContact CD2-CB 4.2Å; F18-N103 HydrophobicContact CE1-CB 3.56Å; F18-N103 WeakPolarHBondContact CE1-ND2 3.43Å; F18-N103 HydrophobicContact CE2-CB 4.14Å; F18-N103 HydrophobicContact CG-CB 3.96Å; F18-N103 HydrophobicContact CZ-CB 3.83Å; F18-N103 WeakPolarHBondContact CZ-OD1 3.35Å; F18-W117 HydrophobicContact CE1-CE3 4.44Å; F18-L121 HydrophobicContact CE2-CD2 4.05Å; F18-W215 HydrophobicContact CE2-CH2 4.31Å; F18-W215 HydrophobicContact CE2-CZ2 4.4Å; F18-W215 HydrophobicContact CZ-CH2 4.02Å; F18-W215 HydrophobicContact CZ-CZ2 4.09Å
19E97.6Very high96.3Very high119 Ų11947.7 Ų47.756%0.55625%0.25SS*.Hα-helixtrans-57.5-44167.4-172.2172.6-15400110.7F15 K21 G22 Y70F15-E19 VanDerWaalsContact O-CB 3.23Å; F15-E19 WeakPolarHBondContact O-CB 3.38Å; F15-E19 PolarHBondContact O-N 3.41Å; E19-K21 PolarHBondContact O-N 3.36Å; E19-K21 VanDerWaalsContact O-N 3.16Å; E19-G22 PolarHBondContact O-N 3.47Å; E19-Y70 HydrophobicContact CB-CE1 4.08Å
20S97.7Very high96.1Very high87 Ų8746 Ų4661%0.60825%0.247SC*.Hα-helixtrans-64-19.1176.784.30000114.3E16 F17 F18E16-S20 WeakPolarHBondContact O-CB 3.49Å; E16-S20 PolarHBondContact O-N 3.45Å; F17-S20 WeakPolarHBondContact O-CB 3.49Å; F17-S20 PolarHBondContact O-N 3.05Å; F17-S20 PolarHBondContact O-OG 3.49Å; F18-S20 VanDerWaalsContact C-N 3.28Å; F18-S20 PolarHBondContact O-N 3.43Å
21K97.6Very high96Very high43 Ų4346 Ų4619%0.18725%0.247CC..THydrogen-bonded Turntrans-94.77.5175.5-53.9-60.2176.8171.30113.2F17 F18 E19 R68 W117 E120F17-K21 WeakPolarHBondContact O-CG 3.42Å; F17-K21 PolarHBondContact O-N 2.85Å; F18-K21 PolarHBondContact O-N 3.33Å; F18-K21 VanDerWaalsContact O-N 3.09Å; E19-K21 PolarHBondContact O-N 3.36Å; E19-K21 VanDerWaalsContact O-N 3.16Å; K21-R68 PolarHBondContact O-NH1 3.45Å; K21-W117 HydrophobicContact CB-CH2 4.39Å; K21-W117 HydrophobicContact CB-CZ2 4.3Å; K21-W117 HydrophobicContact CD-CD2 4.44Å; K21-W117 HydrophobicContact CD-CZ2 4.47Å; K21-W117 HydrophobicContact CG-CD2 4.24Å; K21-W117 HydrophobicContact CG-CG 4.5Å; K21-E120 IonicContact NZ-OE1 3.72Å; K21-E120 PolarHBondContact NZ-OE1 3.47Å; K21-E120 IonicContact NZ-OE2 2.77Å; K21-E120 PolarHBondContact NZ-OE2 3.28Å
22G96.6Very high95.4Very high51 Ų5146.8 Ų46.853%0.52625%0.253SS..THydrogen-bonded Turntrans81.918.5175.700000114.4F18 E19F18-G22 PolarHBondContact O-N 3.07Å; E19-G22 PolarHBondContact O-N 3.47Å
23H97.9Very high94.5Very high7 Ų743.1 Ų43.13%0.03224%0.239CC..PPolyproline II helixtrans-78148.1170.9-61.661.9000110.5F18 R68 S69 Y70 Y109 W117F18-H23 HydrophobicContact CB-CB 4.24Å; F18-H23 AromaticContact CD1-CE1 3.74Å; F18-H23 AromaticContact CD1-ND1 3.91Å; F18-H23 AromaticContact CD1-NE2 3.94Å; F18-H23 WeakPolarHBondContact O-CB 3.5Å; F18-H23 PolarHBondContact O-N 3.33Å; F18-H23 VanDerWaalsContact O-N 3.13Å; F18-H23 PolarHBondContact O-ND1 2.71Å; H23-R68 HydrophobicContact CB-CB 4.08Å; H23-S69 PolarHBondContact CD2-O 2.96Å; H23-Y70 HydrophobicContact CB-CD1 3.53Å; H23-Y70 HydrophobicContact CB-CE1 4.36Å; H23-Y70 HydrophobicContact CB-CG 4.33Å; H23-Y70 WeakPolarHBondContact O-CE1 3.36Å; H23-Y109 AromaticContact CE1-CE1 3.86Å; H23-Y109 AromaticContact NE2-CE1 3.41Å; H23-Y109 WeakPolarHBondContact NE2-CE1 3.42Å; H23-Y109 AromaticContact NE2-CZ 3.58Å; H23-Y109 PolarHBondContact NE2-OH 2.86Å; H23-W117 AromaticContact CE1-CE3 3.98Å; H23-W117 AromaticContact CE1-CZ3 3.43Å; H23-W117 VanDerWaalsContact CE1-CZ3 3.43Å; H23-W117 WeakPolarHBondContact CE1-CZ3 3.42Å
24V96.9Very high93Very high75 Ų7545.6 Ų45.646%0.45525%0.25SS..EExtended strand (participates in β ladder)trans-95.9131.4176.9-1800000109.9V26 L66 R68 S69 Y70V24-V26 PolarHBondContact O-N 2.98Å; V24-L66 HydrophobicContact CB-CD2 4.06Å; V24-L66 HydrophobicContact CG1-CD2 4.19Å; V24-L66 HydrophobicContact CG2-CD2 4.46Å; V24-R68 PolarHBondContact N-O 2.98Å; V24-S69 CarbonylContact O-C 3.48Å; V24-S69 WeakPolarHBondContact O-CA 3.47Å; V24-S69 WeakPolarHBondContact O-CB 3.45Å; V24-Y70 PolarHBondContact O-N 3.27Å
25Y96.3Very high91.3Very high95 Ų9552.6 Ų52.637%0.37329%0.287SS..EExtended strand (participates in β ladder)trans-65.6127.1172.4178.3-106.3000110.5F15 H27 Y70 N71F15-Y25 HydrophobicContact CD2-CE2 4.32Å; F15-Y25 HydrophobicContact CE2-CD2 4.39Å; F15-Y25 AromaticContact CE2-CE2 3.76Å; F15-Y25 HydrophobicContact CE2-CE2 3.76Å; F15-Y25 AromaticContact CZ-CE2 3.88Å; F15-Y25 HydrophobicContact CZ-CE2 3.88Å; Y25-H27 HydrophobicContact CE1-CB 4.21Å; Y25-H27 PolarHBondContact OH-ND1 3.37Å; Y25-Y70 WeakPolarHBondContact CA-O 3.21Å; Y25-Y70 HydrophobicContact CD2-CD2 4.21Å; Y25-Y70 AromaticContact CD2-CE2 3.7Å; Y25-Y70 HydrophobicContact CD2-CE2 3.7Å; Y25-Y70 HydrophobicContact CG-CE2 4.36Å; Y25-Y70 VanDerWaalsContact N-CE1 3.34Å; Y25-N71 HydrophobicContact CE2-CB 4.35Å
26V94Very high89.8Confident31 Ų3151.8 Ų51.819%0.18829%0.285CS..  trans-122.3118.1174.1176.70000108.3V24 Y49 L66 Y70 N71V24-V26 PolarHBondContact O-N 2.98Å; V26-Y49 WeakPolarHBondContact CB-OH 3.29Å; V26-Y49 HydrophobicContact CG1-CE1 4.27Å; V26-L66 HydrophobicContact CG2-CD1 3.85Å; V26-L66 HydrophobicContact CG2-CD2 4.29Å; V26-Y70 PolarHBondContact N-O 2.95Å; V26-N71 WeakPolarHBondContact O-CB 3.4Å; V26-N71 PolarHBondContact O-ND2 3.02Å
27H93.4Very high88.2Confident72 Ų7253.6 Ų53.633%0.33330%0.304SS..PPolyproline II helixtrans-57.8145.6-178-170.369.5000112.1Y25 S29 E363Y25-H27 HydrophobicContact CE1-CB 4.21Å; Y25-H27 PolarHBondContact OH-ND1 3.37Å; H27-S29 PolarHBondContact O-N 2.77Å; H27-E363 IonicContact CD2-OE1 3.83Å; H27-E363 IonicContact CE1-OE1 3.82Å; H27-E363 IonicContact NE2-OE1 2.93Å; H27-E363 PolarHBondContact NE2-OE1 3.42Å; H27-E363 IonicContact NE2-OE2 3.53Å
28S94.2Very high86.7Confident8 Ų856.4 Ų56.46%0.05632%0.323CS..PPolyproline II helixtrans-54.5130.4-178.1-164.90000111.8S72 Q73 K74S28-S72 VanDerWaalsContact CB-O 3.32Å; S28-S72 WeakPolarHBondContact CB-O 3.42Å; S28-S72 PolarHBondContact OG-O 2.76Å; S28-S72 VanDerWaalsContact OG-O 3.14Å; S28-Q73 WeakPolarHBondContact OG-CA 3.48Å; S28-Q73 PolarHBondContact OG-NE2 3.23Å; S28-Q73 PolarHBondContact OG-OE1 2.97Å; S28-K74 PolarHBondContact OG-N 2.68Å
29S91.4Very high85.6Confident36 Ų3657.1 Ų57.125%0.25233%0.326SS..PPolyproline II helixtrans-73.3162.5173.567.60000111.5H27 Q73 K74H27-S29 PolarHBondContact O-N 2.77Å; S29-Q73 PolarHBondContact O-NE2 3.21Å; S29-Q73 PolarHBondContact OG-NE2 3.04Å; S29-Q73 PolarHBondContact OG-OE1 3.37Å; S29-K74 WeakPolarHBondContact O-CE 3.41Å
30S91Very high84.9Confident39 Ų3954.6 Ų54.627%0.27332%0.316SS..PPolyproline II helixtrans-58142172.5175.60000111.1I32 D311S30-I32 PolarHBondContact O-N 2.99Å; S30-I32 VanDerWaalsContact O-N 3.08Å; S30-I32 PolarHBondContact OG-N 2.99Å; S30-D311 WeakPolarHBondContact OG-CB 3.38Å
31T91.5Very high84.4Confident0 Ų050.8 Ų50.80%029%0.289CS..SBendtrans-60.6-12.8168.852.70000113P33 F41 A42 K74 I76 I307 D311T31-P33 WeakPolarHBondContact O-CD 3.31Å; T31-F41 CarbonylContact O-C 3.48Å; T31-F41 WeakPolarHBondContact O-CA 3.46Å; T31-F41 WeakPolarHBondContact O-CB 3.48Å; T31-A42 PolarHBondContact O-N 3.02Å; T31-K74 HydrophobicContact CG2-CB 3.54Å; T31-I76 HydrophobicContact CG2-CD1 3.81Å; T31-I76 HydrophobicContact CG2-CG1 3.86Å; T31-I307 HydrophobicContact CG2-CG2 3.59Å; T31-D311 WeakPolarHBondContact CB-OD2 3.49Å; T31-D311 WeakPolarHBondContact CG2-OD2 3.26Å; T31-D311 PolarHBondContact N-OD2 3.42Å; T31-D311 PolarHBondContact OG1-OD2 3.34Å
32I84.4Confident84.1Confident38 Ų3848.9 Ų48.920%0.19528%0.281CS..SBendtrans-100.7104.7176-66.9176.5000107.6S30 H34S30-I32 PolarHBondContact O-N 2.99Å; S30-I32 VanDerWaalsContact O-N 3.08Å; S30-I32 PolarHBondContact OG-N 2.99Å; I32-H34 PolarHBondContact O-N 3.22Å
33P77Confident83.8Confident22 Ų2247.1 Ų47.114%0.14326%0.259CS..  trans-58.7132.4-178.9-27.335.4000111.5T31 D36 L39T31-P33 WeakPolarHBondContact O-CD 3.31Å; P33-D36 HydrophobicContact CB-CB 3.8Å; P33-L39 HydrophobicContact CG-CB 4.1Å
34H65.9Low83.6Confident94 Ų9446.9 Ų46.944%0.43526%0.259SS..SBendtrans-85.1124.7176.3-170.9-80.2000109.7I32 D36 E690I32-H34 PolarHBondContact O-N 3.22Å; H34-D36 PolarHBondContact O-N 3.08Å; H34-D36 VanDerWaalsContact O-N 3.13Å; H34-E690 WeakPolarHBondContact NE2-CG 3.36Å
35N61Low83.4Confident146 Ų14643.3 Ų43.378%0.78124%0.237SC*.SBendtrans53.925.5-178.6-70.1-16.7000115.8
36D67.2Low83.3Confident23 Ų2338.8 Ų38.812%0.12322%0.219CC..  trans-113.4103170.4-164.5-24.9000110.6P33 H34 T38 K50P33-D36 HydrophobicContact CB-CB 3.8Å; H34-D36 PolarHBondContact O-N 3.08Å; H34-D36 VanDerWaalsContact O-N 3.13Å; D36-T38 VanDerWaalsContact C-N 3.26Å; D36-T38 PolarHBondContact O-N 3.02Å; D36-T38 VanDerWaalsContact OD1-CB 3.3Å; D36-T38 WeakPolarHBondContact OD1-CB 3.49Å; D36-T38 PolarHBondContact OD1-N 2.91Å; D36-T38 PolarHBondContact OD1-OG1 3.33Å; D36-T38 PolarHBondContact OD2-OG1 3.46Å; D36-K50 IonicContact OD1-NZ 2.99Å; D36-K50 WeakPolarHBondContact OD2-CD 3.38Å; D36-K50 IonicContact OD2-NZ 2.97Å; D36-K50 PolarHBondContact OD2-NZ 2.85Å
37P64.5Low83.1Confident125 Ų12538 Ų3881%0.81221%0.214SC*.THydrogen-bonded Turntrans-77.7-10.2178.632.4-35.2000113.2L39P37-L39 VanDerWaalsContact C-N 3.34Å
38T66.7Low82.9Confident72 Ų7236.2 Ų36.244%0.44221%0.206SC..THydrogen-bonded Turntrans-80.2-15.8-17569.40000112.9D36 K50D36-T38 VanDerWaalsContact C-N 3.26Å; D36-T38 PolarHBondContact O-N 3.02Å; D36-T38 VanDerWaalsContact OD1-CB 3.3Å; D36-T38 WeakPolarHBondContact OD1-CB 3.49Å; D36-T38 PolarHBondContact OD1-N 2.91Å; D36-T38 PolarHBondContact OD1-OG1 3.33Å; D36-T38 PolarHBondContact OD2-OG1 3.46Å; T38-K50 PolarHBondContact OG1-NZ 3.5Å
39L75.5Confident82.9Confident16 Ų1635.9 Ų35.98%0.08420%0.203CC..  trans-127.6138.1-177-64.9174.7000111.9P33 P37 N47 R320P33-L39 HydrophobicContact CG-CB 4.1Å; P37-L39 VanDerWaalsContact C-N 3.34Å; L39-N47 HydrophobicContact CD1-CB 4.44Å; L39-N47 WeakPolarHBondContact CD1-ND2 3.34Å; L39-R320 PolarHBondContact O-NH2 3.24Å
40L81.7Confident82.8Confident66 Ų6635 Ų3535%0.34620%0.195SC..SBendtrans-74.9-41.7172.2-66.9-178.5000111.5R320 V323L40-R320 HydrophobicContact CB-CB 4.19Å; L40-R320 HydrophobicContact CD2-CB 4.34Å; L40-R320 VanDerWaalsContact O-CZ 3.23Å; L40-R320 PolarHBondContact O-NE 2.96Å; L40-R320 PolarHBondContact O-NH1 3.14Å; L40-V323 HydrophobicContact CD1-CG2 4.04Å
41F88.8Confident82.5Confident8 Ų835.4 Ų35.44%0.03520%0.197CC..SBendtrans-137.9159.5176.2-58.3-79.8000110.3T31 N43 I76 R320 V323 I324T31-F41 CarbonylContact O-C 3.48Å; T31-F41 WeakPolarHBondContact O-CA 3.46Å; T31-F41 WeakPolarHBondContact O-CB 3.48Å; F41-N43 PolarHBondContact O-N 3.22Å; F41-I76 HydrophobicContact CB-CB 3.81Å; F41-I76 HydrophobicContact CB-CG2 4.24Å; F41-I76 HydrophobicContact CD1-CB 4.41Å; F41-I76 HydrophobicContact CD1-CD1 3.89Å; F41-I76 HydrophobicContact CD1-CG2 4.46Å; F41-I76 HydrophobicContact CD2-CB 4.43Å; F41-I76 HydrophobicContact CD2-CG2 3.92Å; F41-I76 HydrophobicContact CE1-CD1 4.25Å; F41-I76 HydrophobicContact CE2-CG2 4.4Å; F41-I76 HydrophobicContact CG-CB 3.98Å; F41-I76 HydrophobicContact CG-CD1 4.33Å; F41-I76 HydrophobicContact CG-CG2 3.95Å; F41-R320 HydrophobicContact CE1-CB 4.03Å; F41-R320 HydrophobicContact CE2-CB 4.04Å; F41-R320 HydrophobicContact CZ-CB 3.67Å; F41-R320 WeakPolarHBondContact CZ-O 3.43Å; F41-V323 HydrophobicContact CE2-CB 3.76Å; F41-V323 HydrophobicContact CE2-CG1 3.81Å; F41-V323 HydrophobicContact CE2-CG2 4.17Å; F41-V323 HydrophobicContact CZ-CB 4.18Å; F41-V323 HydrophobicContact CZ-CG1 4.4Å; F41-I324 HydrophobicContact CE1-CD1 4.25Å; F41-I324 HydrophobicContact CE1-CG1 4.22Å; F41-I324 HydrophobicContact CZ-CD1 4.33Å; F41-I324 HydrophobicContact CZ-CG1 3.89Å
42A90.8Very high82.6Confident2 Ų236.3 Ų36.32%0.01720%0.201CC..  trans-63.5114.9165.700000108.5T31 N47 C75 I76T31-A42 PolarHBondContact O-N 3.02Å; A42-N47 VanDerWaalsContact CA-OD1 3.3Å; A42-N47 WeakPolarHBondContact CA-OD1 3.45Å; A42-N47 HydrophobicContact CB-CB 4.47Å; A42-C75 CarbonylContact O-C 3.6Å; A42-C75 WeakPolarHBondContact O-CA 3.33Å; A42-I76 PolarHBondContact O-N 3.46Å
43N90.6Very high82.9Confident14 Ų1434.5 Ų34.58%0.07519%0.192CC..  trans-103.1-10.9-176.865.2-2.6000112.7F41 N47 R77 M178F41-N43 PolarHBondContact O-N 3.22Å; N43-N47 PolarHBondContact N-OD1 2.96Å; N43-N47 PolarHBondContact OD1-ND2 3.41Å; N43-N47 PolarHBondContact OD1-OD1 2.97Å; N43-R77 HydrophobicContact CB-CG 4.48Å; N43-M178 PolarHBondContact ND2-O 3.32Å; N43-M178 VanDerWaalsContact ND2-O 3.1Å
44A92.6Very high83.3Confident2 Ų235.1 Ų35.12%0.01719%0.193CC..SBendtrans-149.8154.7-179.900000111.9M46 N47 M100 W176A44-M46 HydrophobicContact CB-CG 4.03Å; A44-M46 PolarHBondContact O-N 3.34Å; A44-N47 PolarHBondContact N-OD1 3.32Å; A44-N47 VanDerWaalsContact O-CG 3.27Å; A44-N47 PolarHBondContact O-N 2.92Å; A44-N47 PolarHBondContact O-OD1 3.48Å; A44-M100 HydrophobicContact CB-CE 4.3Å; A44-M100 HydrophobicContact CB-SD 4.24Å; A44-W176 HydrophobicContact CB-CH2 3.96Å; A44-W176 HydrophobicContact CB-CZ2 3.64Å
45G93.5Very high84.2Confident0 Ų031.6 Ų31.60%018%0.182CC..G310 helixtrans-55.5-37.9179.400000114N47 Q48 M100G45-N47 VanDerWaalsContact C-N 3.27Å; G45-N47 PolarHBondContact O-N 2.88Å; G45-Q48 PolarHBondContact O-NE2 3.45Å; G45-M100 PolarHBondContact N-SD 3.42Å
46M93.7Very high85.2Confident0 Ų026.9 Ų26.90%016%0.159CC..G310 helixtrans-64.8-20-178.574.390.27200115.3A44 Q48 Y49 K50 F53 W176 M178 P183 I220 D239A44-M46 HydrophobicContact CB-CG 4.03Å; A44-M46 PolarHBondContact O-N 3.34Å; M46-Q48 PolarHBondContact O-N 3.01Å; M46-Q48 VanDerWaalsContact O-N 3.17Å; M46-Y49 PolarHBondContact O-N 2.74Å; M46-K50 PolarHBondContact O-N 2.67Å; M46-F53 HydrophobicContact CB-CE2 3.79Å; M46-F53 HydrophobicContact CB-CZ 4.34Å; M46-F53 HydrophobicContact CE-CD2 4.01Å; M46-F53 HydrophobicContact CE-CE2 3.99Å; M46-W176 HydrophobicContact CE-CH2 4.13Å; M46-W176 HydrophobicContact CE-CZ3 3.68Å; M46-W176 HydrophobicContact CG-CH2 3.55Å; M46-W176 HydrophobicContact CG-CZ2 4.45Å; M46-W176 HydrophobicContact CG-CZ3 4.01Å; M46-W176 HydrophobicContact SD-CH2 3.85Å; M46-W176 HydrophobicContact SD-CZ3 4.02Å; M46-M178 HydrophobicContact CE-CE 3.52Å; M46-M178 HydrophobicContact SD-CB 4.22Å; M46-M178 HydrophobicContact SD-CE 3.44Å; M46-M178 WeakPolarHBondContact SD-CE 3.23Å; M46-M178 HydrophobicContact SD-SD 3.95Å; M46-P183 HydrophobicContact CE-CB 4.03Å; M46-I220 HydrophobicContact CE-CD1 3.54Å; M46-D239 HydrophobicContact CB-CB 4.28Å; M46-D239 VanDerWaalsContact CB-CG 3.47Å; M46-D239 WeakPolarHBondContact CB-OD1 3.46Å; M46-D239 WeakPolarHBondContact CB-OD2 3.06Å; M46-D239 WeakPolarHBondContact CG-OD2 3.37Å
47N90.8Very high86Confident16 Ų1626.9 Ų26.99%0.08616%0.159CC..G310 helixtrans-58.4-36.3-173.1-61.9143.4000112.2L39 A42 N43 A44 G45 Y49 K50L39-N47 HydrophobicContact CD1-CB 4.44Å; L39-N47 WeakPolarHBondContact CD1-ND2 3.34Å; A42-N47 VanDerWaalsContact CA-OD1 3.3Å; A42-N47 WeakPolarHBondContact CA-OD1 3.45Å; A42-N47 HydrophobicContact CB-CB 4.47Å; N43-N47 PolarHBondContact N-OD1 2.96Å; N43-N47 PolarHBondContact OD1-ND2 3.41Å; N43-N47 PolarHBondContact OD1-OD1 2.97Å; A44-N47 PolarHBondContact N-OD1 3.32Å; A44-N47 VanDerWaalsContact O-CG 3.27Å; A44-N47 PolarHBondContact O-N 2.92Å; A44-N47 PolarHBondContact O-OD1 3.48Å; G45-N47 VanDerWaalsContact C-N 3.27Å; G45-N47 PolarHBondContact O-N 2.88Å; N47-Y49 PolarHBondContact O-N 3.24Å; N47-K50 WeakPolarHBondContact O-CB 3.49Å; N47-K50 PolarHBondContact O-N 3Å
48Q89.1Confident86.6Confident34 Ų3424 Ų2416%0.15914%0.137CC..G310 helixtrans-68-20.5178.775.2-165.9-70.900113.7G45 M46 N71G45-Q48 PolarHBondContact O-NE2 3.45Å; M46-Q48 PolarHBondContact O-N 3.01Å; M46-Q48 VanDerWaalsContact O-N 3.17Å; Q48-N71 PolarHBondContact NE2-ND2 3.47Å; Q48-N71 VanDerWaalsContact NE2-ND2 3.15Å; Q48-N71 PolarHBondContact OE1-ND2 2.96Å
49Y93.1Very high87Confident0 Ų023.6 Ų23.60%014%0.136CC..G310 helixtrans-104.95.3-177.6-52.7-69000113V26 M46 N47 P51 I52 F53 L63 L66 S69 N71 W104 F106V26-Y49 WeakPolarHBondContact CB-OH 3.29Å; V26-Y49 HydrophobicContact CG1-CE1 4.27Å; M46-Y49 PolarHBondContact O-N 2.74Å; N47-Y49 PolarHBondContact O-N 3.24Å; Y49-P51 VanDerWaalsContact C-CD 3.45Å; Y49-P51 VanDerWaalsContact C-N 3.29Å; Y49-I52 HydrophobicContact CD1-CD1 3.89Å; Y49-I52 WeakPolarHBondContact O-CA 3.4Å; Y49-I52 WeakPolarHBondContact O-CB 3.37Å; Y49-I52 PolarHBondContact O-N 2.83Å; Y49-F53 WeakPolarHBondContact O-CD2 3.32Å; Y49-F53 PolarHBondContact O-N 3.26Å; Y49-F53 VanDerWaalsContact O-N 3.11Å; Y49-L63 HydrophobicContact CD1-CD1 3.97Å; Y49-L63 HydrophobicContact CE1-CD1 4.26Å; Y49-L66 HydrophobicContact CE1-CD1 4.28Å; Y49-S69 VanDerWaalsContact CZ-OG 3.29Å; Y49-S69 PolarHBondContact OH-OG 3.45Å; Y49-N71 PolarHBondContact OH-ND2 3.26Å; Y49-W104 AromaticContact CD2-CD2 3.77Å; Y49-W104 HydrophobicContact CD2-CD2 3.77Å; Y49-W104 AromaticContact CD2-CE2 3.98Å; Y49-W104 HydrophobicContact CD2-CE3 4.24Å; Y49-W104 AromaticContact CD2-CG 3.92Å; Y49-W104 HydrophobicContact CD2-CG 3.92Å; Y49-W104 AromaticContact CE2-CD2 3.34Å; Y49-W104 HydrophobicContact CE2-CD2 3.34Å; Y49-W104 AromaticContact CE2-CE2 3.71Å; Y49-W104 AromaticContact CE2-CE3 3.36Å; Y49-W104 HydrophobicContact CE2-CE3 3.36Å; Y49-W104 AromaticContact CE2-CG 3.93Å; Y49-W104 HydrophobicContact CE2-CG 3.93Å; Y49-W104 HydrophobicContact CE2-CH2 4.12Å; Y49-W104 HydrophobicContact CE2-CZ2 4.13Å; Y49-W104 AromaticContact CE2-CZ3 3.74Å; Y49-W104 HydrophobicContact CE2-CZ3 3.74Å; Y49-W104 AromaticContact CZ-CE3 3.84Å; Y49-F106 HydrophobicContact CD1-CE1 4.21Å; Y49-F106 HydrophobicContact CD1-CE2 4.24Å; Y49-F106 AromaticContact CD1-CZ 3.48Å; Y49-F106 HydrophobicContact CD1-CZ 3.48Å; Y49-F106 VanDerWaalsContact CD1-CZ 3.48Å; Y49-F106 HydrophobicContact CD2-CZ 4.08Å; Y49-F106 HydrophobicContact CE1-CE2 4.47Å; Y49-F106 AromaticContact CE1-CZ 3.98Å; Y49-F106 HydrophobicContact CE1-CZ 3.98Å; Y49-F106 AromaticContact CG-CE1 3.91Å; Y49-F106 HydrophobicContact CG-CE1 3.91Å; Y49-F106 AromaticContact CG-CZ 3.53Å; Y49-F106 HydrophobicContact CG-CZ 3.53Å
50K88.6Confident87Confident18 Ų1827.8 Ų27.88%0.07816%0.159CC..Hα-helixtrans-48.4-43.1178.5-177.3174.3176.5177.90113.1D36 T38 M46 N47 I52 F53 Q54 M178D36-K50 IonicContact OD1-NZ 2.99Å; D36-K50 WeakPolarHBondContact OD2-CD 3.38Å; D36-K50 IonicContact OD2-NZ 2.97Å; D36-K50 PolarHBondContact OD2-NZ 2.85Å; T38-K50 PolarHBondContact OG1-NZ 3.5Å; M46-K50 PolarHBondContact O-N 2.67Å; N47-K50 WeakPolarHBondContact O-CB 3.49Å; N47-K50 PolarHBondContact O-N 3Å; K50-I52 VanDerWaalsContact C-N 3.28Å; K50-I52 PolarHBondContact O-N 2.87Å; K50-F53 PolarHBondContact O-N 2.93Å; K50-Q54 HydrophobicContact CG-CG 4.34Å; K50-Q54 WeakPolarHBondContact O-CB 3.49Å; K50-Q54 WeakPolarHBondContact O-CG 3.4Å; K50-Q54 PolarHBondContact O-N 3.01Å; K50-M178 HydrophobicContact CD-CE 4.41Å; K50-M178 HydrophobicContact CD-SD 4Å
51P86.7Confident86.8Confident48 Ų4825.8 Ų25.831%0.31215%0.15SC..Hα-helixtrans-62.1-30.1175.2-24.936.4000114.7Y49 G55 T56 V57Y49-P51 VanDerWaalsContact C-CD 3.45Å; Y49-P51 VanDerWaalsContact C-N 3.29Å; P51-G55 PolarHBondContact O-N 3.4Å; P51-G55 VanDerWaalsContact O-N 3.12Å; P51-T56 WeakPolarHBondContact CA-OG1 3.45Å; P51-T56 PolarHBondContact O-N 3.27Å; P51-T56 PolarHBondContact O-OG1 2.93Å; P51-V57 HydrophobicContact CB-CB 3.92Å; P51-V57 PolarHBondContact O-N 3.47Å
52I91.6Very high86.4Confident18 Ų1833.3 Ų33.39%0.09219%0.185CC..Hα-helixtrans-71.8-51.2175.3-51.3179.3000109.8Y49 K50 Q54 G55 V57 L63 L66 F106Y49-I52 HydrophobicContact CD1-CD1 3.89Å; Y49-I52 WeakPolarHBondContact O-CA 3.4Å; Y49-I52 WeakPolarHBondContact O-CB 3.37Å; Y49-I52 PolarHBondContact O-N 2.83Å; K50-I52 VanDerWaalsContact C-N 3.28Å; K50-I52 PolarHBondContact O-N 2.87Å; I52-Q54 PolarHBondContact O-N 3.03Å; I52-G55 PolarHBondContact O-N 3.33Å; I52-V57 HydrophobicContact CB-CG1 4.47Å; I52-V57 HydrophobicContact CG1-CB 4.42Å; I52-V57 HydrophobicContact CG1-CG1 4.22Å; I52-V57 HydrophobicContact CG1-CG2 4.5Å; I52-L63 HydrophobicContact CD1-CD1 3.83Å; I52-L63 HydrophobicContact CD1-CG 3.76Å; I52-L63 VanDerWaalsContact CD1-O 3.27Å; I52-L63 WeakPolarHBondContact CD1-O 3.4Å; I52-L63 HydrophobicContact CG1-CD1 4.39Å; I52-L63 HydrophobicContact CG1-CD2 4.32Å; I52-L63 HydrophobicContact CG1-CG 3.86Å; I52-L66 HydrophobicContact CD1-CB 4.43Å; I52-L66 HydrophobicContact CD1-CD1 4.44Å; I52-F106 HydrophobicContact CB-CD1 4.09Å; I52-F106 HydrophobicContact CB-CE1 4.33Å; I52-F106 HydrophobicContact CD1-CD1 4.19Å; I52-F106 HydrophobicContact CD1-CD2 4.1Å; I52-F106 HydrophobicContact CD1-CE1 3.99Å; I52-F106 HydrophobicContact CD1-CE2 3.9Å; I52-F106 HydrophobicContact CD1-CG 4.25Å; I52-F106 HydrophobicContact CD1-CZ 3.85Å; I52-F106 HydrophobicContact CG2-CB 3.81Å; I52-F106 HydrophobicContact CG2-CD1 3.56Å; I52-F106 HydrophobicContact CG2-CD2 4.43Å; I52-F106 HydrophobicContact CG2-CE1 4.27Å; I52-F106 HydrophobicContact CG2-CG 3.67Å
53F91.4Very high86.2Confident0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-58.6-37.5179.6-60.6-49.7000112.1M46 Y49 K50 G55 W104 F106 P183 I220 L233 H237M46-F53 HydrophobicContact CB-CE2 3.79Å; M46-F53 HydrophobicContact CB-CZ 4.34Å; M46-F53 HydrophobicContact CE-CD2 4.01Å; M46-F53 HydrophobicContact CE-CE2 3.99Å; Y49-F53 WeakPolarHBondContact O-CD2 3.32Å; Y49-F53 PolarHBondContact O-N 3.26Å; Y49-F53 VanDerWaalsContact O-N 3.11Å; K50-F53 PolarHBondContact O-N 2.93Å; F53-G55 VanDerWaalsContact C-N 3.34Å; F53-W104 AromaticContact CZ-CD1 3.86Å; F53-F106 HydrophobicContact CD1-CD1 4.15Å; F53-F106 HydrophobicContact CD1-CE1 4.27Å; F53-F106 AromaticContact CE1-CD1 3.68Å; F53-F106 HydrophobicContact CE1-CD1 3.68Å; F53-F106 AromaticContact CE1-CE1 3.53Å; F53-F106 HydrophobicContact CE1-CE1 3.53Å; F53-F106 HydrophobicContact CZ-CD1 4.33Å; F53-F106 AromaticContact CZ-CE1 3.7Å; F53-F106 HydrophobicContact CZ-CE1 3.7Å; F53-P183 HydrophobicContact CB-CB 3.92Å; F53-P183 HydrophobicContact CB-CG 3.59Å; F53-P183 HydrophobicContact CD2-CG 4.45Å; F53-P183 HydrophobicContact CG-CB 4.43Å; F53-P183 HydrophobicContact CG-CG 4.42Å; F53-I220 HydrophobicContact CD1-CD1 4.28Å; F53-I220 HydrophobicContact CD1-CG2 4.43Å; F53-I220 HydrophobicContact CD2-CD1 4.27Å; F53-I220 HydrophobicContact CE1-CD1 4.04Å; F53-I220 HydrophobicContact CE2-CD1 4.06Å; F53-I220 HydrophobicContact CG-CD1 4.4Å; F53-I220 HydrophobicContact CZ-CD1 3.93Å; F53-L233 WeakPolarHBondContact O-CD2 3.49Å; F53-H237 HydrophobicContact CD1-CB 3.63Å; F53-H237 AromaticContact CD1-CD2 3.92Å; F53-H237 AromaticContact CD1-CG 3.55Å; F53-H237 AromaticContact CD1-ND1 3.86Å; F53-H237 HydrophobicContact CE1-CB 3.7Å
54Q85.9Confident86Confident36 Ų3636.2 Ų36.217%0.16821%0.206CC..THydrogen-bonded Turntrans-84.3-5.7178.4-65.1-175.9-43.500113.5K50 I52 T56 P183 N223 V471K50-Q54 HydrophobicContact CG-CG 4.34Å; K50-Q54 WeakPolarHBondContact O-CB 3.49Å; K50-Q54 WeakPolarHBondContact O-CG 3.4Å; K50-Q54 PolarHBondContact O-N 3.01Å; I52-Q54 PolarHBondContact O-N 3.03Å; Q54-T56 HydrophobicContact CB-CG2 4.12Å; Q54-T56 PolarHBondContact O-N 2.97Å; Q54-P183 HydrophobicContact CG-CG 3.66Å; Q54-N223 PolarHBondContact NE2-OD1 2.96Å; Q54-V471 HydrophobicContact CB-CG2 4.02Å; Q54-V471 HydrophobicContact CG-CG2 4.5Å; Q54-V471 VanDerWaalsContact O-CG1 3.29Å; Q54-V471 WeakPolarHBondContact O-CG1 3.36Å
55G84.5Confident85.9Confident20 Ų2043.8 Ų43.821%0.20623%0.234CC..THydrogen-bonded Turntrans66.419.5-178.900000115P51 I52 F53 K478P51-G55 PolarHBondContact O-N 3.4Å; P51-G55 VanDerWaalsContact O-N 3.12Å; I52-G55 PolarHBondContact O-N 3.33Å; F53-G55 VanDerWaalsContact C-N 3.34Å; G55-K478 PolarHBondContact O-NZ 3.27Å
56T82.5Confident85.8Confident47 Ų4744.8 Ų44.829%0.28824%0.24SC..  trans-94.9-11.8179.757.50000113.2P51 Q54 V471 L474P51-T56 WeakPolarHBondContact CA-OG1 3.45Å; P51-T56 PolarHBondContact O-N 3.27Å; P51-T56 PolarHBondContact O-OG1 2.93Å; Q54-T56 HydrophobicContact CB-CG2 4.12Å; Q54-T56 PolarHBondContact O-N 2.97Å; T56-V471 HydrophobicContact CG2-CG2 4.25Å; T56-L474 HydrophobicContact CG2-CD1 3.84Å
57V83.7Confident85.9Confident22 Ų2250.8 Ų50.813%0.13327%0.266CS..SBendtrans-59.4142.8173.467.90000111.4P51 I52 P59 S61 L63P51-V57 HydrophobicContact CB-CB 3.92Å; P51-V57 PolarHBondContact O-N 3.47Å; I52-V57 HydrophobicContact CB-CG1 4.47Å; I52-V57 HydrophobicContact CG1-CB 4.42Å; I52-V57 HydrophobicContact CG1-CG1 4.22Å; I52-V57 HydrophobicContact CG1-CG2 4.5Å; V57-P59 WeakPolarHBondContact O-CD 3.31Å; V57-S61 WeakPolarHBondContact CG2-OG 3.29Å; V57-L63 HydrophobicContact CG2-CB 4.06Å; V57-L63 HydrophobicContact CG2-CD2 3.97Å; V57-L63 HydrophobicContact CG2-CG 4.1Å
58D76.1Confident86.2Confident64 Ų6452.9 Ų52.934%0.34227%0.272SS..  trans-64.5118.6170.4179.1-10.2000109.1N60 S61D58-N60 PolarHBondContact O-N 3.45Å; D58-N60 VanDerWaalsContact O-N 3.13Å; D58-N60 WeakPolarHBondContact OD1-CB 3.38Å; D58-N60 PolarHBondContact OD1-N 3.36Å; D58-S61 WeakPolarHBondContact O-CB 3.43Å; D58-S61 PolarHBondContact O-N 2.94Å; D58-S61 PolarHBondContact O-OG 2.98Å
59P76Confident86.6Confident65 Ų6551.3 Ų51.342%0.42227%0.265SS..THydrogen-bonded Turntrans-61.9-20-17926.7-35.9000113.6V57V57-P59 WeakPolarHBondContact O-CD 3.31Å
60N75.3Confident86.9Confident104 Ų10451.8 Ų51.856%0.55627%0.267SS*.THydrogen-bonded Turntrans-87.4-12.5177.4-63.7-48.4000113.2D58 R65D58-N60 PolarHBondContact O-N 3.45Å; D58-N60 VanDerWaalsContact O-N 3.13Å; D58-N60 WeakPolarHBondContact OD1-CB 3.38Å; D58-N60 PolarHBondContact OD1-N 3.36Å; N60-R65 PolarHBondContact O-NE 2.99Å; N60-R65 PolarHBondContact O-NH2 3.32Å
61S77.5Confident87.3Confident24 Ų2450.9 Ų50.917%0.16826%0.263CS..SBendtrans-70.9157.4175.871.20000112.1V57 D58 L63 G64 R65V57-S61 WeakPolarHBondContact CG2-OG 3.29Å; D58-S61 WeakPolarHBondContact O-CB 3.43Å; D58-S61 PolarHBondContact O-N 2.94Å; D58-S61 PolarHBondContact O-OG 2.98Å; S61-L63 PolarHBondContact O-N 2.98Å; S61-G64 PolarHBondContact O-N 3.19Å; S61-G64 VanDerWaalsContact O-N 3.11Å; S61-G64 PolarHBondContact OG-N 3.27Å; S61-R65 PolarHBondContact O-N 3.43Å
62E81.7Confident87.8Confident166 Ų16648.9 Ų48.978%0.77625%0.25SC*.THydrogen-bonded Turntrans-55.1-44.1173.4-174.7176.8-174.500111.3G64 R65E62-G64 VanDerWaalsContact C-N 3.33Å; E62-G64 PolarHBondContact O-N 3.45Å; E62-R65 PolarHBondContact O-N 3.23Å
63L86.3Confident88Confident51 Ų5148 Ų4827%0.26725%0.246SC..G310 helixtrans-60.1-40.4176.5-16871.6000112.1Y49 I52 V57 S61 R65 L66Y49-L63 HydrophobicContact CD1-CD1 3.97Å; Y49-L63 HydrophobicContact CE1-CD1 4.26Å; I52-L63 HydrophobicContact CD1-CD1 3.83Å; I52-L63 HydrophobicContact CD1-CG 3.76Å; I52-L63 VanDerWaalsContact CD1-O 3.27Å; I52-L63 WeakPolarHBondContact CD1-O 3.4Å; I52-L63 HydrophobicContact CG1-CD1 4.39Å; I52-L63 HydrophobicContact CG1-CD2 4.32Å; I52-L63 HydrophobicContact CG1-CG 3.86Å; V57-L63 HydrophobicContact CG2-CB 4.06Å; V57-L63 HydrophobicContact CG2-CD2 3.97Å; V57-L63 HydrophobicContact CG2-CG 4.1Å; S61-L63 PolarHBondContact O-N 2.98Å; L63-R65 VanDerWaalsContact C-N 3.27Å; L63-R65 PolarHBondContact O-N 3.01Å; L63-L66 HydrophobicContact CD1-CD1 3.94Å; L63-L66 PolarHBondContact O-N 2.95Å
64G85.9Confident88.3Confident25 Ų2548.1 Ų48.126%0.25825%0.246SC..G310 helixtrans-69.7-17.9179.500000114.9S61 E62S61-G64 PolarHBondContact O-N 3.19Å; S61-G64 VanDerWaalsContact O-N 3.11Å; S61-G64 PolarHBondContact OG-N 3.27Å; E62-G64 VanDerWaalsContact C-N 3.33Å; E62-G64 PolarHBondContact O-N 3.45Å
65R89.5Confident88.8Confident162 Ų16246.4 Ų46.461%0.61124%0.238SC*.G310 helixtrans-92.7-8.9177.6-63.3177.8-162.9161.17.5113.5N60 S61 E62 L63 K67N60-R65 PolarHBondContact O-NE 2.99Å; N60-R65 PolarHBondContact O-NH2 3.32Å; S61-R65 PolarHBondContact O-N 3.43Å; E62-R65 PolarHBondContact O-N 3.23Å; L63-R65 VanDerWaalsContact C-N 3.27Å; L63-R65 PolarHBondContact O-N 3.01Å; R65-K67 PolarHBondContact O-N 3.32Å
66L92.8Very high89.3Confident21 Ų2145.6 Ų45.611%0.1123%0.229CC..  trans-65.8131.9179.2-70.5173.9000111.1V24 V26 Y49 I52 L63 F106V24-L66 HydrophobicContact CB-CD2 4.06Å; V24-L66 HydrophobicContact CG1-CD2 4.19Å; V24-L66 HydrophobicContact CG2-CD2 4.46Å; V26-L66 HydrophobicContact CG2-CD1 3.85Å; V26-L66 HydrophobicContact CG2-CD2 4.29Å; Y49-L66 HydrophobicContact CE1-CD1 4.28Å; I52-L66 HydrophobicContact CD1-CB 4.43Å; I52-L66 HydrophobicContact CD1-CD1 4.44Å; L63-L66 HydrophobicContact CD1-CD1 3.94Å; L63-L66 PolarHBondContact O-N 2.95Å; L66-F106 HydrophobicContact CB-CD2 3.89Å; L66-F106 HydrophobicContact CB-CE2 3.95Å; L66-F106 HydrophobicContact CD1-CE2 4.49Å; L66-F106 WeakPolarHBondContact O-CD2 3.36Å
67K95.3Very high89.6Confident125 Ų12545.7 Ų45.754%0.54322%0.224SC..SBendtrans-105.6-34.1169.9-70.3-64.6-175.7-179.20112.6R65 F106R65-K67 PolarHBondContact O-N 3.32Å; K67-F106 PolarHBondContact O-N 2.97Å
68R97.4Very high89.3Confident61 Ų6144.7 Ų44.723%0.2322%0.218CC..EExtended strand (participates in β ladder)trans-144.4137.4-178.8-61.1-178.2-169-178.2-0.4108.9K21 H23 V24 W104 D108 Y109K21-R68 PolarHBondContact O-NH1 3.45Å; H23-R68 HydrophobicContact CB-CB 4.08Å; V24-R68 PolarHBondContact N-O 2.98Å; R68-W104 VanDerWaalsContact CA-O 3.3Å; R68-W104 WeakPolarHBondContact CA-O 3.31Å; R68-D108 WeakPolarHBondContact CG-OD2 3.41Å; R68-D108 IonicContact CZ-OD1 3.72Å; R68-D108 IonicContact CZ-OD2 3.26Å; R68-D108 VanDerWaalsContact CZ-OD2 3.3Å; R68-D108 IonicContact NE-OD1 2.66Å; R68-D108 IonicContact NE-OD2 3.61Å; R68-D108 PolarHBondContact NE-OD2 2.9Å; R68-D108 IonicContact NH2-OD1 2.75Å; R68-D108 PolarHBondContact NH2-OD1 3.43Å; R68-D108 IonicContact NH2-OD2 3.33Å; R68-D108 PolarHBondContact NH2-OD2 2.89Å; R68-D108 VanDerWaalsContact NH2-OD2 3.1Å; R68-Y109 HydrophobicContact CG-CD1 4.27Å; R68-Y109 HydrophobicContact CG-CE1 4.07Å
69S97.6Very high88.8Confident0 Ų042.9 Ų42.90%021%0.214CC..EExtended strand (participates in β ladder)trans-141.1158.3173.561.80000112.6H23 V24 Y49 N103 W104 F106H23-S69 PolarHBondContact CD2-O 2.96Å; V24-S69 CarbonylContact O-C 3.48Å; V24-S69 WeakPolarHBondContact O-CA 3.47Å; V24-S69 WeakPolarHBondContact O-CB 3.45Å; Y49-S69 VanDerWaalsContact CZ-OG 3.29Å; Y49-S69 PolarHBondContact OH-OG 3.45Å; S69-N103 CarbonylContact O-C 3.53Å; S69-N103 VanDerWaalsContact O-CA 3.27Å; S69-N103 WeakPolarHBondContact O-CA 3.41Å; S69-W104 PolarHBondContact N-O 3.31Å; S69-W104 VanDerWaalsContact N-O 3.15Å; S69-W104 PolarHBondContact O-N 3.36Å; S69-F106 WeakPolarHBondContact OG-CE2 3.42Å
70Y98.1Very high88.1Confident10 Ų1042.9 Ų42.94%0.03923%0.226CC..EExtended strand (participates in β ladder)trans-142.7149.117273.4-85.2000110.8F15 F18 E19 H23 V24 Y25 V26 G102F15-Y70 VanDerWaalsContact CA-CE2 3.46Å; F15-Y70 HydrophobicContact CB-CD2 4.25Å; F15-Y70 HydrophobicContact CB-CE2 3.48Å; F15-Y70 VanDerWaalsContact CB-CE2 3.48Å; F15-Y70 AromaticContact CD1-CD2 3.56Å; F15-Y70 HydrophobicContact CD1-CD2 3.56Å; F15-Y70 AromaticContact CD1-CE2 3.53Å; F15-Y70 HydrophobicContact CD1-CE2 3.53Å; F15-Y70 HydrophobicContact CD2-CE2 4.33Å; F15-Y70 HydrophobicContact CE1-CD2 4.21Å; F15-Y70 HydrophobicContact CE1-CE2 4.38Å; F15-Y70 HydrophobicContact CG-CD2 4.08Å; F15-Y70 AromaticContact CG-CE2 3.53Å; F15-Y70 HydrophobicContact CG-CE2 3.53Å; F18-Y70 HydrophobicContact CB-CD1 4.08Å; F18-Y70 HydrophobicContact CB-CD2 4.44Å; F18-Y70 HydrophobicContact CB-CG 3.85Å; E19-Y70 HydrophobicContact CB-CE1 4.08Å; H23-Y70 HydrophobicContact CB-CD1 3.53Å; H23-Y70 HydrophobicContact CB-CE1 4.36Å; H23-Y70 HydrophobicContact CB-CG 4.33Å; H23-Y70 WeakPolarHBondContact O-CE1 3.36Å; V24-Y70 PolarHBondContact O-N 3.27Å; Y25-Y70 WeakPolarHBondContact CA-O 3.21Å; Y25-Y70 HydrophobicContact CD2-CD2 4.21Å; Y25-Y70 AromaticContact CD2-CE2 3.7Å; Y25-Y70 HydrophobicContact CD2-CE2 3.7Å; Y25-Y70 HydrophobicContact CG-CE2 4.36Å; Y25-Y70 VanDerWaalsContact N-CE1 3.34Å; V26-Y70 PolarHBondContact N-O 2.95Å; Y70-G102 VanDerWaalsContact CA-O 3.27Å; Y70-G102 WeakPolarHBondContact CA-O 3.41Å
71N97.2Very high87.5Confident0 Ų044.3 Ų44.30%023%0.227CC..EExtended strand (participates in β ladder)trans-165.6-176.4171.670.322000113.4Y25 V26 Q48 Y49 Q73 G102 W104Y25-N71 HydrophobicContact CE2-CB 4.35Å; V26-N71 WeakPolarHBondContact O-CB 3.4Å; V26-N71 PolarHBondContact O-ND2 3.02Å; Q48-N71 PolarHBondContact NE2-ND2 3.47Å; Q48-N71 VanDerWaalsContact NE2-ND2 3.15Å; Q48-N71 PolarHBondContact OE1-ND2 2.96Å; Y49-N71 PolarHBondContact OH-ND2 3.26Å; N71-Q73 PolarHBondContact OD1-N 2.78Å; N71-G102 PolarHBondContact N-O 2.9Å; N71-G102 VanDerWaalsContact N-O 3.1Å; N71-G102 PolarHBondContact O-N 3.37Å; N71-G102 VanDerWaalsContact O-N 3.08Å; N71-W104 HydrophobicContact CB-CZ3 4.46Å; N71-W104 WeakPolarHBondContact OD1-CH2 3.25Å; N71-W104 VanDerWaalsContact OD1-CZ3 3.31Å; N71-W104 WeakPolarHBondContact OD1-CZ3 3.27Å
72S97.3Very high86.9Confident5 Ų545.4 Ų45.44%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-108104.5159.9-174.90000108.4S28 E99S28-S72 VanDerWaalsContact CB-O 3.32Å; S28-S72 WeakPolarHBondContact CB-O 3.42Å; S28-S72 PolarHBondContact OG-O 2.76Å; S28-S72 VanDerWaalsContact OG-O 3.14Å; S72-E99 WeakPolarHBondContact OG-CB 3.33Å; S72-E99 PolarHBondContact OG-OE2 2.88Å
73Q96.9Very high86.7Confident1 Ų139.8 Ų39.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-86133.2180-18056.552.700110.9S28 S29 N71 C75 M100S28-Q73 WeakPolarHBondContact OG-CA 3.48Å; S28-Q73 PolarHBondContact OG-NE2 3.23Å; S28-Q73 PolarHBondContact OG-OE1 2.97Å; S29-Q73 PolarHBondContact O-NE2 3.21Å; S29-Q73 PolarHBondContact OG-NE2 3.04Å; S29-Q73 PolarHBondContact OG-OE1 3.37Å; N71-Q73 PolarHBondContact OD1-N 2.78Å; Q73-C75 PolarHBondContact O-N 2.72Å; Q73-M100 PolarHBondContact N-O 3.38Å; Q73-M100 PolarHBondContact O-N 2.93Å
74K96.9Very high86.7Confident1 Ų138.4 Ų38.40%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-69117.3168.8-68.1176.1-72.7-170.20108.9S28 S29 T31 F97 I307 D311 F361 E363S28-K74 PolarHBondContact OG-N 2.68Å; S29-K74 WeakPolarHBondContact O-CE 3.41Å; T31-K74 HydrophobicContact CG2-CB 3.54Å; K74-F97 HydrophobicContact CB-CE2 3.81Å; K74-F97 HydrophobicContact CG-CE2 3.97Å; K74-F97 HydrophobicContact CG-CZ 4.32Å; K74-I307 HydrophobicContact CB-CG2 4.45Å; K74-I307 HydrophobicContact CD-CD1 3.99Å; K74-I307 HydrophobicContact CD-CG2 3.88Å; K74-I307 HydrophobicContact CG-CG2 4.41Å; K74-D311 IonicContact NZ-OD1 3.55Å; K74-D311 PolarHBondContact NZ-OD1 3.26Å; K74-D311 IonicContact NZ-OD2 2.74Å; K74-F361 HydrophobicContact CD-CB 4.22Å; K74-F361 HydrophobicContact CD-CD1 3.59Å; K74-F361 HydrophobicContact CD-CD2 4.25Å; K74-F361 HydrophobicContact CD-CE1 4.03Å; K74-F361 HydrophobicContact CD-CG 3.73Å; K74-F361 HydrophobicContact CG-CD1 3.56Å; K74-F361 HydrophobicContact CG-CD2 4.11Å; K74-F361 HydrophobicContact CG-CE1 3.44Å; K74-F361 VanDerWaalsContact CG-CE1 3.44Å; K74-F361 HydrophobicContact CG-CE2 3.99Å; K74-F361 HydrophobicContact CG-CG 3.92Å; K74-F361 HydrophobicContact CG-CZ 3.66Å; K74-E363 IonicContact NZ-OE2 3.94Å; K74-E363 PolarHBondContact NZ-OE2 3.02Å
75C95.9Very high86.6Confident0 Ų037.2 Ų37.20%019%0.186CC..EExtended strand (participates in β ladder)trans-120.7137.5179.3-69.60000110.9A42 Q73 F97 F98A42-C75 CarbonylContact O-C 3.6Å; A42-C75 WeakPolarHBondContact O-CA 3.33Å; Q73-C75 PolarHBondContact O-N 2.72Å; C75-F97 WeakPolarHBondContact O-CA 3.4Å; C75-F97 WeakPolarHBondContact O-CD2 3.34Å; C75-F98 HydrophobicContact CB-CD1 4.36Å; C75-F98 HydrophobicContact CB-CD2 4.4Å; C75-F98 HydrophobicContact CB-CE1 3.9Å; C75-F98 HydrophobicContact CB-CE2 3.97Å; C75-F98 HydrophobicContact CB-CZ 3.68Å; C75-F98 PolarHBondContact N-O 3.32Å; C75-F98 PolarHBondContact O-N 3.3Å; C75-F98 VanDerWaalsContact O-N 3.13Å
76I94.5Very high86Confident4 Ų432 Ų322%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-118.9123172.3-62.1178.3000109.4T31 F41 A42 A78 T96 F97 V304 A308T31-I76 HydrophobicContact CG2-CD1 3.81Å; T31-I76 HydrophobicContact CG2-CG1 3.86Å; F41-I76 HydrophobicContact CB-CB 3.81Å; F41-I76 HydrophobicContact CB-CG2 4.24Å; F41-I76 HydrophobicContact CD1-CB 4.41Å; F41-I76 HydrophobicContact CD1-CD1 3.89Å; F41-I76 HydrophobicContact CD1-CG2 4.46Å; F41-I76 HydrophobicContact CD2-CB 4.43Å; F41-I76 HydrophobicContact CD2-CG2 3.92Å; F41-I76 HydrophobicContact CE1-CD1 4.25Å; F41-I76 HydrophobicContact CE2-CG2 4.4Å; F41-I76 HydrophobicContact CG-CB 3.98Å; F41-I76 HydrophobicContact CG-CD1 4.33Å; F41-I76 HydrophobicContact CG-CG2 3.95Å; A42-I76 PolarHBondContact O-N 3.46Å; I76-A78 HydrophobicContact CG2-CB 4.03Å; I76-T96 CarbonylContact C-O 3.57Å; I76-T96 VanDerWaalsContact CA-O 3.24Å; I76-T96 WeakPolarHBondContact CA-O 3.31Å; I76-F97 HydrophobicContact CG1-CD2 4.34Å; I76-V304 HydrophobicContact CD1-CG2 3.69Å; I76-V304 HydrophobicContact CG1-CG2 3.91Å; I76-V304 HydrophobicContact CG2-CG2 4.1Å; I76-A308 HydrophobicContact CD1-CB 3.9Å
77R90.8Very high85.7Confident49 Ų4934.2 Ų34.219%0.18518%0.182CC..  trans-113.672.9172.5-75.9-177.7-175.9-177.21.6110.1N43 H82 D84 T96 F98N43-R77 HydrophobicContact CB-CG 4.48Å; R77-H82 HydrophobicContact CG-CB 4.08Å; R77-D84 HydrophobicContact CB-CB 4.42Å; R77-D84 WeakPolarHBondContact CD-OD2 3.29Å; R77-D84 PolarHBondContact O-N 3.32Å; R77-T96 PolarHBondContact N-O 2.73Å; R77-F98 HydrophobicContact CB-CE1 4.27Å; R77-F98 HydrophobicContact CG-CE1 3.76Å; R77-F98 HydrophobicContact CG-CZ 4.33Å
78A76Confident85.4Confident1 Ų128.3 Ų28.31%0.00816%0.156CC..SBendtrans-137.4107.9173.200000108.6I76 N83 L85 V323 I327I76-A78 HydrophobicContact CG2-CB 4.03Å; A78-N83 WeakPolarHBondContact CA-OD1 3.43Å; A78-L85 HydrophobicContact CB-CB 4.39Å; A78-V323 HydrophobicContact CB-CG1 3.6Å; A78-V323 VanDerWaalsContact O-CG1 3.27Å; A78-V323 WeakPolarHBondContact O-CG1 3.1Å; A78-I327 HydrophobicContact CB-CD1 3.82Å
79G65.6Low84.8Confident25 Ų2525.4 Ų25.426%0.25815%0.145SC..SBendtrans85.7160.9-17200000114.8N83G79-N83 PolarHBondContact N-OD1 2.97Å
80G62.3Low84.3Confident66 Ų6630.6 Ų30.668%0.6817%0.165SC*.SBendtrans81-159.7-174.400000113.2
81K62.3Low83.9Confident133 Ų13331.4 Ų31.458%0.57817%0.17SC*.SBendtrans-63.7-38.2-179.5-176.3-176.5177.4-172.40112.8
82H64.8Low83.6Confident48 Ų4832.5 Ų32.522%0.22218%0.176CC..SBendtrans-106.5102.7178-59.6-71.4000108.8R77R77-H82 HydrophobicContact CG-CB 4.08Å
83N77.8Confident83.2Confident48 Ų4833.8 Ų33.826%0.25718%0.181SC..  trans-136.2103.6-173.8175.540.6000110.7A78 G79 L85A78-N83 WeakPolarHBondContact CA-OD1 3.43Å; G79-N83 PolarHBondContact N-OD1 2.97Å; N83-L85 VanDerWaalsContact OD1-CB 3.32Å; N83-L85 WeakPolarHBondContact OD1-CB 3.36Å; N83-L85 PolarHBondContact OD1-N 3.11Å
84D85.3Confident82.9Confident21 Ų2135.4 Ų35.411%0.11219%0.188CC..  trans-99.42.9-175.9-56.4-15.9000111.4R77 D86 D87 V88 H94R77-D84 HydrophobicContact CB-CB 4.42Å; R77-D84 WeakPolarHBondContact CD-OD2 3.29Å; R77-D84 PolarHBondContact O-N 3.32Å; D84-D86 PolarHBondContact O-N 3.13Å; D84-D87 PolarHBondContact O-N 2.85Å; D84-D87 VanDerWaalsContact O-N 3.12Å; D84-V88 WeakPolarHBondContact O-CG2 3.35Å; D84-V88 PolarHBondContact O-N 3.25Å; D84-V88 VanDerWaalsContact O-N 3.08Å; D84-H94 HydrophobicContact CB-CB 4.28Å; D84-H94 IonicContact OD2-CD2 2.72Å
85L84.3Confident82.8Confident0 Ų035.6 Ų35.60%019%0.189CC..THydrogen-bonded Turntrans-57-38.4-173.2178.856.9000112.1A78 N83 D87 T96 R326 I327 R330A78-L85 HydrophobicContact CB-CB 4.39Å; N83-L85 VanDerWaalsContact OD1-CB 3.32Å; N83-L85 WeakPolarHBondContact OD1-CB 3.36Å; N83-L85 PolarHBondContact OD1-N 3.11Å; L85-D87 VanDerWaalsContact C-N 3.35Å; L85-T96 HydrophobicContact CB-CG2 4.46Å; L85-T96 HydrophobicContact CD1-CG2 3.64Å; L85-R326 HydrophobicContact CD2-CG 4.05Å; L85-I327 HydrophobicContact CD1-CG1 4.01Å; L85-I327 HydrophobicContact CD2-CG1 4.36Å; L85-R330 PolarHBondContact O-NH1 3.33Å; L85-R330 PolarHBondContact O-NH2 3.18Å
86D78.1Confident82.7Confident54 Ų5435.6 Ų35.629%0.28919%0.189SC..THydrogen-bonded Turntrans-77.6-23.5-176.3-62.4-40.1000112.6D84 R90 R326 R330 D427D84-D86 PolarHBondContact O-N 3.13Å; D86-R90 WeakPolarHBondContact O-CD 3.43Å; D86-R90 PolarHBondContact O-NE 3.41Å; D86-R326 IonicContact OD1-NH2 3.11Å; D86-R326 PolarHBondContact OD1-NH2 3.47Å; D86-R326 IonicContact OD2-NH2 2.83Å; D86-R326 PolarHBondContact OD2-NH2 3.46Å; D86-R330 IonicContact OD1-NH1 3.49Å; D86-D427 WeakPolarHBondContact OD1-CB 3.46Å
87D85.6Confident82.8Confident67 Ų6735.4 Ų35.436%0.35819%0.188SC..THydrogen-bonded Turntrans-84.5-29178.1-57.5-57000112.8D84 L85 G89 R90 D91 H94D84-D87 PolarHBondContact O-N 2.85Å; D84-D87 VanDerWaalsContact O-N 3.12Å; L85-D87 VanDerWaalsContact C-N 3.35Å; D87-G89 PolarHBondContact O-N 3.36Å; D87-G89 VanDerWaalsContact O-N 3.13Å; D87-R90 WeakPolarHBondContact O-CB 3.12Å; D87-R90 PolarHBondContact O-N 3.3Å; D87-D91 PolarHBondContact O-N 2.94Å; D87-H94 HydrophobicContact CB-CB 4.09Å
88V88.9Confident83Confident0 Ų034.2 Ų34.20%018%0.184CC..THydrogen-bonded Turntrans-52.4120.3179.2171.40000112D84 R90 T96 V297 D300 R330D84-V88 WeakPolarHBondContact O-CG2 3.35Å; D84-V88 PolarHBondContact O-N 3.25Å; D84-V88 VanDerWaalsContact O-N 3.08Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-T96 HydrophobicContact CB-CG2 4.36Å; V88-T96 HydrophobicContact CG2-CG2 3.63Å; V88-V297 WeakPolarHBondContact O-CG2 3.39Å; V88-D300 HydrophobicContact CG1-CB 3.82Å; V88-D300 WeakPolarHBondContact CG1-OD2 3.46Å; V88-R330 PolarHBondContact O-NH2 2.66Å
89G85Confident84.1Confident0 Ų034.1 Ų34.10%018%0.184CC..THydrogen-bonded Turntrans88.1-19.1-17900000115D87 M293 R296D87-G89 PolarHBondContact O-N 3.36Å; D87-G89 VanDerWaalsContact O-N 3.13Å; G89-M293 WeakPolarHBondContact O-CG 3.46Å; G89-R296 PolarHBondContact O-NE 3.03Å; G89-R296 PolarHBondContact O-NH2 3.05Å
90R86.9Confident85.6Confident110 Ų11033.6 Ų33.642%0.41518%0.175SC..THydrogen-bonded Turntrans-78-41.1173.9-62.9-175.5176.4-144.9-10.5111D86 D87 V88 E434D86-R90 WeakPolarHBondContact O-CD 3.43Å; D86-R90 PolarHBondContact O-NE 3.41Å; D87-R90 WeakPolarHBondContact O-CB 3.12Å; D87-R90 PolarHBondContact O-N 3.3Å; V88-R90 VanDerWaalsContact C-N 3.31Å; R90-E434 IonicContact CZ-OE2 2.73Å; R90-E434 IonicContact NH1-OE1 3.45Å; R90-E434 IonicContact NH1-OE2 3.63Å; R90-E434 IonicContact NH2-OE1 3.98Å; R90-E434 IonicContact NH2-OE2 3.43Å; R90-E434 PolarHBondContact NH2-OE2 3.01Å
91D88.7Confident87.3Confident27 Ų2730.5 Ų30.514%0.14414%0.143CC..SBendtrans-104.8-167.7170.867.553.8000112.6D87 Y93 H94D87-D91 PolarHBondContact O-N 2.94Å; D91-Y93 HydrophobicContact CB-CD1 4.4Å; D91-Y93 HydrophobicContact CB-CE1 4.19Å; D91-Y93 PolarHBondContact OD1-N 3.27Å; D91-H94 IonicContact OD1-CG 2.95Å; D91-H94 PolarHBondContact OD1-N 3.03Å; D91-H94 IonicContact OD1-ND1 3.39Å; D91-H94 IonicContact OD2-CE1 2.87Å; D91-H94 IonicContact OD2-CG 3.08Å; D91-H94 IonicContact OD2-ND1 2.81Å; D91-H94 PolarHBondContact OD2-ND1 3.36Å
92V91.2Very high89Confident22 Ų2224.1 Ų24.113%0.13312%0.115CC..SBendtrans-117.25-172.1-59.50000114N257 V283V92-N257 WeakPolarHBondContact O-CB 3.41Å; V92-N257 PolarHBondContact O-N 2.91Å; V92-V283 HydrophobicContact CG1-CG1 3.67Å
93Y89.2Confident90.5Very high33 Ų3322 Ų2213%0.12911%0.105CC..SBendtrans-143.1-10.8-169.462.4-98.6000116.2D91 P209 L212 N257D91-Y93 HydrophobicContact CB-CD1 4.4Å; D91-Y93 HydrophobicContact CB-CE1 4.19Å; D91-Y93 PolarHBondContact OD1-N 3.27Å; Y93-P209 HydrophobicContact CE1-CB 4.19Å; Y93-L212 HydrophobicContact CD1-CD2 4.28Å; Y93-L212 HydrophobicContact CD2-CD2 4.26Å; Y93-L212 HydrophobicContact CG-CD2 3.89Å; Y93-N257 WeakPolarHBondContact CA-ND2 3.49Å; Y93-N257 PolarHBondContact O-ND2 3.32Å
94H91.1Very high91.5Very high34 Ų3419.7 Ų19.716%0.1579%0.093CC..  trans-87.7145.7169.7-72.6108.1000111.9D84 D87 D91 Y258D84-H94 HydrophobicContact CB-CB 4.28Å; D84-H94 IonicContact OD2-CD2 2.72Å; D87-H94 HydrophobicContact CB-CB 4.09Å; D91-H94 IonicContact OD1-CG 2.95Å; D91-H94 PolarHBondContact OD1-N 3.03Å; D91-H94 IonicContact OD1-ND1 3.39Å; D91-H94 IonicContact OD2-CE1 2.87Å; D91-H94 IonicContact OD2-CG 3.08Å; D91-H94 IonicContact OD2-ND1 2.81Å; D91-H94 PolarHBondContact OD2-ND1 3.36Å; H94-Y258 PolarHBondContact O-OH 2.61Å
95H94.3Very high92.1Very high6 Ų618.7 Ų18.73%0.0289%0.088CC..  trans-141.5146.9-177.7-61.2-61.7000110.4F97 F98 N257 Y258 F263 D300H95-F97 WeakPolarHBondContact CB-O 3.43Å; H95-F98 HydrophobicContact CB-CB 4.22Å; H95-N257 VanDerWaalsContact NE2-CB 3.28Å; H95-N257 WeakPolarHBondContact NE2-CB 3.4Å; H95-N257 PolarHBondContact NE2-ND2 3.13Å; H95-Y258 AromaticContact CE1-CE1 3.73Å; H95-Y258 AromaticContact CE1-CE2 3.89Å; H95-Y258 AromaticContact CE1-CZ 3.54Å; H95-Y258 AromaticContact ND1-CE1 3.82Å; H95-Y258 AromaticContact ND1-CZ 3.65Å; H95-Y258 PolarHBondContact ND1-OH 2.86Å; H95-F263 AromaticContact CE1-CE2 3.81Å; H95-F263 AromaticContact CE1-CZ 3.4Å; H95-F263 WeakPolarHBondContact CE1-CZ 3.41Å; H95-F263 AromaticContact ND1-CZ 3.64Å; H95-D300 VanDerWaalsContact CA-OD1 3.24Å; H95-D300 WeakPolarHBondContact CA-OD1 3.47Å; H95-D300 WeakPolarHBondContact CB-OD1 3.42Å; H95-D300 IonicContact CG-OD1 3.6Å; H95-D300 IonicContact ND1-OD1 2.74Å
96T94.1Very high92.7Very high0 Ų019.1 Ų19.10%09%0.089CC..SBendtrans-75.7-35.1171.958.60000111.2I76 R77 L85 V88 D300 V304I76-T96 CarbonylContact C-O 3.57Å; I76-T96 VanDerWaalsContact CA-O 3.24Å; I76-T96 WeakPolarHBondContact CA-O 3.31Å; R77-T96 PolarHBondContact N-O 2.73Å; L85-T96 HydrophobicContact CB-CG2 4.46Å; L85-T96 HydrophobicContact CD1-CG2 3.64Å; V88-T96 HydrophobicContact CB-CG2 4.36Å; V88-T96 HydrophobicContact CG2-CG2 3.63Å; T96-D300 WeakPolarHBondContact CB-OD2 3.34Å; T96-D300 WeakPolarHBondContact CG2-OD2 3.01Å; T96-D300 PolarHBondContact N-OD1 3.48Å; T96-D300 PolarHBondContact N-OD2 3.33Å; T96-D300 PolarHBondContact OG1-OD2 2.86Å; T96-V304 WeakPolarHBondContact OG1-CB 3.29Å; T96-V304 VanDerWaalsContact OG1-CG1 3.25Å; T96-V304 WeakPolarHBondContact OG1-CG1 3.28Å
97F95.9Very high93.4Very high0 Ų018.4 Ų18.40%010%0.095CC..EExtended strand (participates in β ladder)trans-122.3130.8172165-98.7000109.7K74 C75 I76 H95 E99 R303 V304 I307 L357 F361K74-F97 HydrophobicContact CB-CE2 3.81Å; K74-F97 HydrophobicContact CG-CE2 3.97Å; K74-F97 HydrophobicContact CG-CZ 4.32Å; C75-F97 WeakPolarHBondContact O-CA 3.4Å; C75-F97 WeakPolarHBondContact O-CD2 3.34Å; I76-F97 HydrophobicContact CG1-CD2 4.34Å; H95-F97 WeakPolarHBondContact CB-O 3.43Å; F97-E99 HydrophobicContact CZ-CG 4.33Å; F97-R303 HydrophobicContact CD1-CB 4.03Å; F97-V304 HydrophobicContact CB-CB 3.51Å; F97-V304 HydrophobicContact CB-CG2 3.85Å; F97-I307 HydrophobicContact CD1-CG1 4.33Å; F97-I307 HydrophobicContact CD2-CB 4.29Å; F97-I307 HydrophobicContact CD2-CG1 4.2Å; F97-I307 HydrophobicContact CD2-CG2 4.03Å; F97-I307 HydrophobicContact CE1-CD1 4.46Å; F97-I307 HydrophobicContact CE1-CG1 3.96Å; F97-I307 HydrophobicContact CE2-CB 4.22Å; F97-I307 HydrophobicContact CE2-CD1 4.24Å; F97-I307 HydrophobicContact CE2-CG1 3.83Å; F97-I307 HydrophobicContact CE2-CG2 3.81Å; F97-I307 HydrophobicContact CG-CG1 4.44Å; F97-I307 HydrophobicContact CZ-CD1 3.91Å; F97-I307 HydrophobicContact CZ-CG1 3.7Å; F97-I307 HydrophobicContact CZ-CG2 4.5Å; F97-L357 HydrophobicContact CE1-CD1 3.71Å; F97-L357 HydrophobicContact CZ-CD1 4.33Å; F97-F361 HydrophobicContact CZ-CE2 4.14Å
98F96.4Very high93.9Very high23 Ų2318.7 Ų18.710%0.10110%0.096CC..EExtended strand (participates in β ladder)trans-145161.4174.364.9-82.2000110.2C75 R77 H95 M100 E245C75-F98 HydrophobicContact CB-CD1 4.36Å; C75-F98 HydrophobicContact CB-CD2 4.4Å; C75-F98 HydrophobicContact CB-CE1 3.9Å; C75-F98 HydrophobicContact CB-CE2 3.97Å; C75-F98 HydrophobicContact CB-CZ 3.68Å; C75-F98 PolarHBondContact N-O 3.32Å; C75-F98 PolarHBondContact O-N 3.3Å; C75-F98 VanDerWaalsContact O-N 3.13Å; R77-F98 HydrophobicContact CB-CE1 4.27Å; R77-F98 HydrophobicContact CG-CE1 3.76Å; R77-F98 HydrophobicContact CG-CZ 4.33Å; H95-F98 HydrophobicContact CB-CB 4.22Å; F98-M100 HydrophobicContact CE2-CB 4.12Å; F98-M100 HydrophobicContact CE2-CE 3.69Å; F98-M100 HydrophobicContact CZ-CE 3.94Å; F98-E245 WeakPolarHBondContact CB-OE2 3.36Å
99E97.5Very high94.2Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-91.3122.9173.6-74.2-177.6-107.800109.6R11 S72 F97 F244 E245 F361R11-E99 IonicContact CZ-OE1 3.09Å; R11-E99 IonicContact CZ-OE2 2.69Å; R11-E99 IonicContact NE-OE2 2.7Å; R11-E99 PolarHBondContact NE-OE2 2.95Å; R11-E99 VanDerWaalsContact NH2-CD 3.25Å; R11-E99 IonicContact NH2-OE1 3.5Å; R11-E99 PolarHBondContact NH2-OE1 3.47Å; R11-E99 IonicContact NH2-OE2 3.33Å; R11-E99 PolarHBondContact NH2-OE2 3.14Å; S72-E99 WeakPolarHBondContact OG-CB 3.33Å; S72-E99 PolarHBondContact OG-OE2 2.88Å; F97-E99 HydrophobicContact CZ-CG 4.33Å; E99-F244 HydrophobicContact CB-CB 3.61Å; E99-F244 HydrophobicContact CB-CD1 3.87Å; E99-F244 HydrophobicContact CB-CG 4.04Å; E99-F244 HydrophobicContact CG-CD1 4.33Å; E99-F244 VanDerWaalsContact O-CB 3.23Å; E99-F244 WeakPolarHBondContact O-CB 3.31Å; E99-F244 PolarHBondContact O-N 2.79Å; E99-E245 PolarHBondContact N-OE1 3.25Å; E99-E245 PolarHBondContact N-OE2 3.29Å; E99-E245 VanDerWaalsContact N-OE2 3.13Å; E99-F361 HydrophobicContact CG-CE2 3.77Å; E99-F361 HydrophobicContact CG-CZ 3.71Å; E99-F361 WeakPolarHBondContact OE2-CZ 3.06Å
100M97.4Very high94.8Very high14 Ų1420.5 Ų20.57%0.06910%0.104CC..EExtended strand (participates in β ladder)trans-97.7102.6170.9-171.3174.4-70.300108.6A44 G45 Q73 F98 G102A44-M100 HydrophobicContact CB-CE 4.3Å; A44-M100 HydrophobicContact CB-SD 4.24Å; G45-M100 PolarHBondContact N-SD 3.42Å; Q73-M100 PolarHBondContact N-O 3.38Å; Q73-M100 PolarHBondContact O-N 2.93Å; F98-M100 HydrophobicContact CE2-CB 4.12Å; F98-M100 HydrophobicContact CE2-CE 3.69Å; F98-M100 HydrophobicContact CZ-CE 3.94Å; M100-G102 PolarHBondContact O-N 3.27Å
101L98.2Very high95.3Very high0 Ų015.6 Ų15.60%09%0.086CC..EExtended strand (participates in β ladder)trans-69.8126.1168.2-63.5-177000107.9R11 F14 M242 F244R11-L101 HydrophobicContact CG-CD2 4.29Å; F14-L101 HydrophobicContact CB-CD1 4.07Å; F14-L101 HydrophobicContact CD1-CB 4.14Å; F14-L101 HydrophobicContact CD1-CD1 4.24Å; F14-L101 HydrophobicContact CD1-CD2 4.08Å; F14-L101 HydrophobicContact CD1-CG 4.39Å; F14-L101 HydrophobicContact CD2-CB 4.17Å; F14-L101 HydrophobicContact CD2-CD1 3.95Å; F14-L101 HydrophobicContact CE1-CB 3.91Å; F14-L101 HydrophobicContact CE1-CD2 4.45Å; F14-L101 HydrophobicContact CE2-CB 3.89Å; F14-L101 HydrophobicContact CE2-CD1 4.49Å; F14-L101 HydrophobicContact CG-CB 4.32Å; F14-L101 HydrophobicContact CG-CD1 3.84Å; F14-L101 HydrophobicContact CG-CD2 4.49Å; F14-L101 HydrophobicContact CG-CG 4.45Å; F14-L101 HydrophobicContact CZ-CB 3.8Å; L101-M242 HydrophobicContact CB-CB 4.14Å; L101-M242 HydrophobicContact CD1-SD 4.12Å; L101-M242 PolarHBondContact N-O 3.17Å; L101-M242 PolarHBondContact O-N 2.86Å; L101-F244 HydrophobicContact CD1-CB 4.47Å; L101-F244 HydrophobicContact CD1-CD2 3.7Å; L101-F244 HydrophobicContact CD1-CE2 4.48Å; L101-F244 HydrophobicContact CD2-CD2 4.35Å; L101-F244 HydrophobicContact CG-CB 4.1Å; L101-F244 HydrophobicContact CG-CD2 4.05Å; L101-F244 HydrophobicContact CG-CG 4.44Å
102G97.5Very high95.8Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-143.9153.1-175.800000112.8Y70 N71 M100 W104 T240Y70-G102 VanDerWaalsContact CA-O 3.27Å; Y70-G102 WeakPolarHBondContact CA-O 3.41Å; N71-G102 PolarHBondContact N-O 2.9Å; N71-G102 VanDerWaalsContact N-O 3.1Å; N71-G102 PolarHBondContact O-N 3.37Å; N71-G102 VanDerWaalsContact O-N 3.08Å; M100-G102 PolarHBondContact O-N 3.27Å; G102-W104 VanDerWaalsContact C-CZ3 3.47Å; G102-W104 VanDerWaalsContact CA-CH2 3.45Å; G102-W104 VanDerWaalsContact O-CZ3 3.23Å; G102-W104 WeakPolarHBondContact O-CZ3 3.41Å; G102-T240 WeakPolarHBondContact CA-O 3.13Å
103N98.1Very high96.1Very high3 Ų322 Ų222%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-133.7133.2171.266.8-84.5000108.9F18 S69 Y109 T240F18-N103 HydrophobicContact CD1-CB 3.63Å; F18-N103 HydrophobicContact CD2-CB 4.2Å; F18-N103 HydrophobicContact CE1-CB 3.56Å; F18-N103 WeakPolarHBondContact CE1-ND2 3.43Å; F18-N103 HydrophobicContact CE2-CB 4.14Å; F18-N103 HydrophobicContact CG-CB 3.96Å; F18-N103 HydrophobicContact CZ-CB 3.83Å; F18-N103 WeakPolarHBondContact CZ-OD1 3.35Å; S69-N103 CarbonylContact O-C 3.53Å; S69-N103 VanDerWaalsContact O-CA 3.27Å; S69-N103 WeakPolarHBondContact O-CA 3.41Å; N103-Y109 PolarHBondContact ND2-OH 3.48Å; N103-T240 VanDerWaalsContact CG-OG1 3.27Å; N103-T240 PolarHBondContact N-OG1 3.04Å; N103-T240 PolarHBondContact O-N 3.12Å; N103-T240 PolarHBondContact O-OG1 3.02Å; N103-T240 WeakPolarHBondContact OD1-CG2 3.32Å; N103-T240 PolarHBondContact OD1-OG1 2.86Å
104W98.1Very high96.5Very high0 Ų020.6 Ų20.60%011%0.107CC..EExtended strand (participates in β ladder)trans-119.8147.7-173.4-61.5-84.1000112Y49 F53 R68 S69 N71 G102 F106 I238 D239Y49-W104 AromaticContact CD2-CD2 3.77Å; Y49-W104 HydrophobicContact CD2-CD2 3.77Å; Y49-W104 AromaticContact CD2-CE2 3.98Å; Y49-W104 HydrophobicContact CD2-CE3 4.24Å; Y49-W104 AromaticContact CD2-CG 3.92Å; Y49-W104 HydrophobicContact CD2-CG 3.92Å; Y49-W104 AromaticContact CE2-CD2 3.34Å; Y49-W104 HydrophobicContact CE2-CD2 3.34Å; Y49-W104 AromaticContact CE2-CE2 3.71Å; Y49-W104 AromaticContact CE2-CE3 3.36Å; Y49-W104 HydrophobicContact CE2-CE3 3.36Å; Y49-W104 AromaticContact CE2-CG 3.93Å; Y49-W104 HydrophobicContact CE2-CG 3.93Å; Y49-W104 HydrophobicContact CE2-CH2 4.12Å; Y49-W104 HydrophobicContact CE2-CZ2 4.13Å; Y49-W104 AromaticContact CE2-CZ3 3.74Å; Y49-W104 HydrophobicContact CE2-CZ3 3.74Å; Y49-W104 AromaticContact CZ-CE3 3.84Å; F53-W104 AromaticContact CZ-CD1 3.86Å; R68-W104 VanDerWaalsContact CA-O 3.3Å; R68-W104 WeakPolarHBondContact CA-O 3.31Å; S69-W104 PolarHBondContact N-O 3.31Å; S69-W104 VanDerWaalsContact N-O 3.15Å; S69-W104 PolarHBondContact O-N 3.36Å; N71-W104 HydrophobicContact CB-CZ3 4.46Å; N71-W104 WeakPolarHBondContact OD1-CH2 3.25Å; N71-W104 VanDerWaalsContact OD1-CZ3 3.31Å; N71-W104 WeakPolarHBondContact OD1-CZ3 3.27Å; G102-W104 VanDerWaalsContact C-CZ3 3.47Å; G102-W104 VanDerWaalsContact CA-CH2 3.45Å; G102-W104 VanDerWaalsContact O-CZ3 3.23Å; G102-W104 WeakPolarHBondContact O-CZ3 3.41Å; W104-F106 HydrophobicContact CB-CE1 3.85Å; W104-F106 HydrophobicContact CB-CE2 4.13Å; W104-F106 HydrophobicContact CB-CZ 3.5Å; W104-F106 HydrophobicContact CG-CZ 4.22Å; W104-I238 VanDerWaalsContact CA-O 3.26Å; W104-I238 WeakPolarHBondContact CA-O 3.15Å; W104-D239 PolarHBondContact NE1-OD1 3.13Å
105S97.6Very high96.8Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-120.1129170.2-178.90000109.8D108 Y109 H237 I238S105-D108 PolarHBondContact OG-N 3.47Å; S105-Y109 VanDerWaalsContact CB-CE1 3.45Å; S105-Y109 WeakPolarHBondContact CB-O 3.2Å; S105-Y109 PolarHBondContact OG-N 3.03Å; S105-Y109 PolarHBondContact OG-O 3.06Å; S105-H237 VanDerWaalsContact O-CA 3.3Å; S105-H237 WeakPolarHBondContact O-CA 3.31Å; S105-H237 WeakPolarHBondContact O-CB 3.45Å; S105-I238 PolarHBondContact N-O 2.67Å; S105-I238 PolarHBondContact O-N 3Å; S105-I238 VanDerWaalsContact O-N 3.09Å
106F96.2Very high97Very high8 Ų822.1 Ų22.14%0.03511%0.114CC..EExtended strand (participates in β ladder)trans-110.977.1179.9-51.8-61.2000111.4Y49 I52 F53 L66 K67 S69 W104 H237Y49-F106 HydrophobicContact CD1-CE1 4.21Å; Y49-F106 HydrophobicContact CD1-CE2 4.24Å; Y49-F106 AromaticContact CD1-CZ 3.48Å; Y49-F106 HydrophobicContact CD1-CZ 3.48Å; Y49-F106 VanDerWaalsContact CD1-CZ 3.48Å; Y49-F106 HydrophobicContact CD2-CZ 4.08Å; Y49-F106 HydrophobicContact CE1-CE2 4.47Å; Y49-F106 AromaticContact CE1-CZ 3.98Å; Y49-F106 HydrophobicContact CE1-CZ 3.98Å; Y49-F106 AromaticContact CG-CE1 3.91Å; Y49-F106 HydrophobicContact CG-CE1 3.91Å; Y49-F106 AromaticContact CG-CZ 3.53Å; Y49-F106 HydrophobicContact CG-CZ 3.53Å; I52-F106 HydrophobicContact CB-CD1 4.09Å; I52-F106 HydrophobicContact CB-CE1 4.33Å; I52-F106 HydrophobicContact CD1-CD1 4.19Å; I52-F106 HydrophobicContact CD1-CD2 4.1Å; I52-F106 HydrophobicContact CD1-CE1 3.99Å; I52-F106 HydrophobicContact CD1-CE2 3.9Å; I52-F106 HydrophobicContact CD1-CG 4.25Å; I52-F106 HydrophobicContact CD1-CZ 3.85Å; I52-F106 HydrophobicContact CG2-CB 3.81Å; I52-F106 HydrophobicContact CG2-CD1 3.56Å; I52-F106 HydrophobicContact CG2-CD2 4.43Å; I52-F106 HydrophobicContact CG2-CE1 4.27Å; I52-F106 HydrophobicContact CG2-CG 3.67Å; F53-F106 HydrophobicContact CD1-CD1 4.15Å; F53-F106 HydrophobicContact CD1-CE1 4.27Å; F53-F106 AromaticContact CE1-CD1 3.68Å; F53-F106 HydrophobicContact CE1-CD1 3.68Å; F53-F106 AromaticContact CE1-CE1 3.53Å; F53-F106 HydrophobicContact CE1-CE1 3.53Å; F53-F106 HydrophobicContact CZ-CD1 4.33Å; F53-F106 AromaticContact CZ-CE1 3.7Å; F53-F106 HydrophobicContact CZ-CE1 3.7Å; L66-F106 HydrophobicContact CB-CD2 3.89Å; L66-F106 HydrophobicContact CB-CE2 3.95Å; L66-F106 HydrophobicContact CD1-CE2 4.49Å; L66-F106 WeakPolarHBondContact O-CD2 3.36Å; K67-F106 PolarHBondContact O-N 2.97Å; S69-F106 WeakPolarHBondContact OG-CE2 3.42Å; W104-F106 HydrophobicContact CB-CE1 3.85Å; W104-F106 HydrophobicContact CB-CE2 4.13Å; W104-F106 HydrophobicContact CB-CZ 3.5Å; W104-F106 HydrophobicContact CG-CZ 4.22Å; F106-H237 WeakPolarHBondContact CA-ND1 3.43Å
107G93.5Very high97.2Very high39 Ų3923.8 Ų23.840%0.40212%0.12SC..SBendtrans67.836.5-178.500000113.3K236 H237G107-K236 WeakPolarHBondContact CA-O 3.48Å; G107-K236 PolarHBondContact N-O 3.32Å; G107-H237 PolarHBondContact N-ND1 3.13Å
108D95.5Very high97.3Very high74 Ų7423.8 Ų23.840%0.39612%0.121SC..SBendtrans-119.9-92.8-177.3-174.7-11.4000110.8R68 S105R68-D108 WeakPolarHBondContact CG-OD2 3.41Å; R68-D108 IonicContact CZ-OD1 3.72Å; R68-D108 IonicContact CZ-OD2 3.26Å; R68-D108 VanDerWaalsContact CZ-OD2 3.3Å; R68-D108 IonicContact NE-OD1 2.66Å; R68-D108 IonicContact NE-OD2 3.61Å; R68-D108 PolarHBondContact NE-OD2 2.9Å; R68-D108 IonicContact NH2-OD1 2.75Å; R68-D108 PolarHBondContact NH2-OD1 3.43Å; R68-D108 IonicContact NH2-OD2 3.33Å; R68-D108 PolarHBondContact NH2-OD2 2.89Å; R68-D108 VanDerWaalsContact NH2-OD2 3.1Å; S105-D108 PolarHBondContact OG-N 3.47Å
109Y96.8Very high97.3Very high8 Ų824.3 Ų24.33%0.03112%0.122CC..  trans-91.6163.617373.8-91.7000111.6H23 R68 N103 S105 E113 A114 W117 I238H23-Y109 AromaticContact CE1-CE1 3.86Å; H23-Y109 AromaticContact NE2-CE1 3.41Å; H23-Y109 WeakPolarHBondContact NE2-CE1 3.42Å; H23-Y109 AromaticContact NE2-CZ 3.58Å; H23-Y109 PolarHBondContact NE2-OH 2.86Å; R68-Y109 HydrophobicContact CG-CD1 4.27Å; R68-Y109 HydrophobicContact CG-CE1 4.07Å; N103-Y109 PolarHBondContact ND2-OH 3.48Å; S105-Y109 VanDerWaalsContact CB-CE1 3.45Å; S105-Y109 WeakPolarHBondContact CB-O 3.2Å; S105-Y109 PolarHBondContact OG-N 3.03Å; S105-Y109 PolarHBondContact OG-O 3.06Å; Y109-E113 HydrophobicContact CD2-CB 3.74Å; Y109-E113 HydrophobicContact CG-CB 4.09Å; Y109-A114 HydrophobicContact CE2-CB 4.14Å; Y109-W117 HydrophobicContact CD1-CH2 4.01Å; Y109-W117 AromaticContact CD1-CZ3 3.75Å; Y109-W117 HydrophobicContact CD1-CZ3 3.75Å; Y109-W117 AromaticContact CD2-CZ3 3.94Å; Y109-W117 HydrophobicContact CD2-CZ3 3.94Å; Y109-W117 HydrophobicContact CE1-CH2 4.24Å; Y109-W117 AromaticContact CE1-CZ3 3.56Å; Y109-W117 HydrophobicContact CE1-CZ3 3.56Å; Y109-W117 HydrophobicContact CE2-CE3 4.18Å; Y109-W117 AromaticContact CE2-CZ3 3.75Å; Y109-W117 HydrophobicContact CE2-CZ3 3.75Å; Y109-W117 HydrophobicContact CG-CH2 4.17Å; Y109-W117 AromaticContact CG-CZ3 3.94Å; Y109-W117 HydrophobicContact CG-CZ3 3.94Å; Y109-W117 AromaticContact CZ-CZ3 3.56Å; Y109-I238 HydrophobicContact CD2-CG1 4.1Å; Y109-I238 HydrophobicContact CE2-CB 4.06Å; Y109-I238 HydrophobicContact CE2-CG1 3.84Å; Y109-I238 HydrophobicContact CE2-CG2 4.11Å
110F97.1Very high97.4Very high29 Ų2926.7 Ų26.713%0.12713%0.133CC..  trans-133.5-137-178.6-163.3-128.6000112.1K112 E113 A114 F219 K236 H237 I238F110-K112 PolarHBondContact O-N 2.83Å; F110-E113 PolarHBondContact N-OE2 2.87Å; F110-A114 VanDerWaalsContact O-CB 3.25Å; F110-A114 WeakPolarHBondContact O-CB 3.47Å; F110-A114 PolarHBondContact O-N 2.86Å; F110-A114 VanDerWaalsContact O-N 3.17Å; F110-F219 HydrophobicContact CE2-CB 3.85Å; F110-F219 HydrophobicContact CZ-CB 3.68Å; F110-F219 HydrophobicContact CZ-CG 4.47Å; F110-K236 HydrophobicContact CD1-CD 4.12Å; F110-K236 HydrophobicContact CD2-CB 3.85Å; F110-K236 HydrophobicContact CE1-CD 3.75Å; F110-K236 HydrophobicContact CE2-CB 3.76Å; F110-K236 HydrophobicContact CE2-CD 4.26Å; F110-K236 HydrophobicContact CE2-CG 4.4Å; F110-K236 HydrophobicContact CG-CB 4.38Å; F110-K236 HydrophobicContact CZ-CB 4.18Å; F110-K236 HydrophobicContact CZ-CD 3.82Å; F110-K236 HydrophobicContact CZ-CG 4.33Å; F110-H237 WeakPolarHBondContact CE2-O 3.32Å; F110-I238 HydrophobicContact CD2-CD1 3.58Å; F110-I238 HydrophobicContact CD2-CG1 4.12Å; F110-I238 HydrophobicContact CE2-CD1 4.05Å; F110-I238 HydrophobicContact CG-CD1 4.3Å
111K97.6Very high97.4Very high8 Ų826 Ų264%0.03513%0.13CC..Hα-helixtrans-59.3-45-169.7-73.3168.4178.8178.20113.9A114 C115 D149 E151 I155 F219K111-A114 PolarHBondContact O-N 2.91Å; K111-C115 WeakPolarHBondContact O-CB 3.49Å; K111-C115 PolarHBondContact O-N 2.89Å; K111-C115 PolarHBondContact O-SG 3.06Å; K111-D149 WeakPolarHBondContact CE-OD2 3.39Å; K111-D149 IonicContact NZ-OD1 3.9Å; K111-D149 PolarHBondContact NZ-OD1 3.44Å; K111-D149 IonicContact NZ-OD2 2.67Å; K111-D149 PolarHBondContact NZ-OD2 2.98Å; K111-E151 HydrophobicContact CD-CB 4.36Å; K111-E151 VanDerWaalsContact CD-CD 3.5Å; K111-E151 HydrophobicContact CD-CG 3.94Å; K111-E151 VanDerWaalsContact CD-OE2 3.29Å; K111-E151 WeakPolarHBondContact CD-OE2 3.42Å; K111-E151 IonicContact NZ-OE2 2.87Å; K111-E151 PolarHBondContact NZ-OE2 3.02Å; K111-I155 HydrophobicContact CB-CD1 3.63Å; K111-F219 HydrophobicContact CB-CD1 4.46Å; K111-F219 HydrophobicContact CB-CE1 4.2Å; K111-F219 HydrophobicContact CD-CD2 4.24Å; K111-F219 HydrophobicContact CD-CE2 4.39Å; K111-F219 HydrophobicContact CD-CG 4.29Å; K111-F219 HydrophobicContact CG-CB 4.44Å; K111-F219 HydrophobicContact CG-CD1 3.48Å; K111-F219 VanDerWaalsContact CG-CD1 3.48Å; K111-F219 HydrophobicContact CG-CD2 4Å; K111-F219 HydrophobicContact CG-CE1 3.58Å; K111-F219 HydrophobicContact CG-CE2 4.08Å; K111-F219 HydrophobicContact CG-CG 3.7Å; K111-F219 HydrophobicContact CG-CZ 3.87Å
112K97.6Very high97.3Very high114 Ų11426 Ų2650%0.49613%0.13SC..Hα-helixtrans-59.4-57.9-172.9-177.6-178.7173.5-175.40111.2F110 A114 C115 E116 I155F110-K112 PolarHBondContact O-N 2.83Å; K112-A114 VanDerWaalsContact C-N 3.31Å; K112-A114 PolarHBondContact O-N 2.98Å; K112-C115 PolarHBondContact O-N 3.04Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 HydrophobicContact CG-CG 4.49Å; K112-E116 IonicContact NZ-OE1 3.06Å; K112-E116 WeakPolarHBondContact O-CB 3.49Å; K112-E116 WeakPolarHBondContact O-CG 3.38Å; K112-E116 PolarHBondContact O-N 3.13Å; K112-I155 HydrophobicContact CB-CD1 4.29Å
113E97.8Very high97.2Very high68 Ų6827 Ų2732%0.31814%0.136SC..Hα-helixtrans-66.3-35.1-179.5-60.682.3176.700111.5Y109 F110 E116 W117Y109-E113 HydrophobicContact CD2-CB 3.74Å; Y109-E113 HydrophobicContact CG-CB 4.09Å; F110-E113 PolarHBondContact N-OE2 2.87Å; E113-E116 PolarHBondContact O-N 3.15Å; E113-W117 HydrophobicContact CB-CD2 4.27Å; E113-W117 HydrophobicContact CB-CE3 4.26Å; E113-W117 HydrophobicContact CB-CH2 3.99Å; E113-W117 HydrophobicContact CB-CZ2 3.99Å; E113-W117 HydrophobicContact CB-CZ3 4.11Å; E113-W117 HydrophobicContact CG-CH2 4.48Å; E113-W117 HydrophobicContact CG-CZ2 4.3Å; E113-W117 WeakPolarHBondContact O-CB 3.43Å; E113-W117 VanDerWaalsContact O-CG 3.24Å; E113-W117 PolarHBondContact O-N 2.86Å
114A97.8Very high97.1Very high4 Ų432.3 Ų32.33%0.03316%0.16CC..Hα-helixtrans-60.1-47.517600000112.1Y109 F110 K111 K112 A118 L217 I238Y109-A114 HydrophobicContact CE2-CB 4.14Å; F110-A114 VanDerWaalsContact O-CB 3.25Å; F110-A114 WeakPolarHBondContact O-CB 3.47Å; F110-A114 PolarHBondContact O-N 2.86Å; F110-A114 VanDerWaalsContact O-N 3.17Å; K111-A114 PolarHBondContact O-N 2.91Å; K112-A114 VanDerWaalsContact C-N 3.31Å; K112-A114 PolarHBondContact O-N 2.98Å; A114-A118 VanDerWaalsContact O-CB 3.25Å; A114-A118 WeakPolarHBondContact O-CB 3.41Å; A114-A118 PolarHBondContact O-N 3.21Å; A114-A118 VanDerWaalsContact O-N 3.1Å; A114-L217 HydrophobicContact CB-CD2 4.4Å; A114-I238 HydrophobicContact CB-CD1 4.01Å; A114-I238 HydrophobicContact CB-CG1 4.27Å; A114-I238 HydrophobicContact CB-CG2 4.08Å
115C98.3Very high96.9Very high0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-69.2-43.7177.6-66.40000112.1K111 K112 A118 W119 I155 W156 I159K111-C115 WeakPolarHBondContact O-CB 3.49Å; K111-C115 PolarHBondContact O-N 2.89Å; K111-C115 PolarHBondContact O-SG 3.06Å; K112-C115 PolarHBondContact O-N 3.04Å; C115-A118 PolarHBondContact O-N 2.93Å; C115-W119 WeakPolarHBondContact O-CB 3.18Å; C115-W119 PolarHBondContact O-N 3.09Å; C115-I155 HydrophobicContact CB-CG2 3.57Å; C115-W156 HydrophobicContact CB-CD2 4.31Å; C115-W156 HydrophobicContact CB-CE3 4.4Å; C115-W156 HydrophobicContact CB-CH2 4.07Å; C115-W156 HydrophobicContact CB-CZ2 3.98Å; C115-W156 HydrophobicContact CB-CZ3 4.29Å; C115-I159 HydrophobicContact CB-CD1 3.68Å
116E98Very high96.9Very high73 Ų7335.5 Ų35.534%0.34118%0.179SC..Hα-helixtrans-60.9-48.2179.5-75.8174.8169.200111.7K112 E113 W119 E120 I159K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 HydrophobicContact CG-CG 4.49Å; K112-E116 IonicContact NZ-OE1 3.06Å; K112-E116 WeakPolarHBondContact O-CB 3.49Å; K112-E116 WeakPolarHBondContact O-CG 3.38Å; K112-E116 PolarHBondContact O-N 3.13Å; E113-E116 PolarHBondContact O-N 3.15Å; E116-W119 PolarHBondContact O-N 2.84Å; E116-E120 WeakPolarHBondContact O-CB 3.18Å; E116-E120 PolarHBondContact O-N 2.89Å; E116-I159 HydrophobicContact CG-CD1 4.08Å; E116-I159 HydrophobicContact CG-CG1 4.14Å
117W98.2Very high96.8Very high34 Ų3441 Ų4113%0.12920%0.203CC..Hα-helixtrans-70.5-32.5179.1-64.3-20.6000112.8F17 F18 K21 H23 Y109 E113 W119 L121F17-W117 HydrophobicContact CE1-CB 4.08Å; F17-W117 HydrophobicContact CZ-CB 4.23Å; F17-W117 WeakPolarHBondContact CZ-O 3.48Å; F18-W117 HydrophobicContact CE1-CE3 4.44Å; K21-W117 HydrophobicContact CB-CH2 4.39Å; K21-W117 HydrophobicContact CB-CZ2 4.3Å; K21-W117 HydrophobicContact CD-CD2 4.44Å; K21-W117 HydrophobicContact CD-CZ2 4.47Å; K21-W117 HydrophobicContact CG-CD2 4.24Å; K21-W117 HydrophobicContact CG-CG 4.5Å; H23-W117 AromaticContact CE1-CE3 3.98Å; H23-W117 AromaticContact CE1-CZ3 3.43Å; H23-W117 VanDerWaalsContact CE1-CZ3 3.43Å; H23-W117 WeakPolarHBondContact CE1-CZ3 3.42Å; Y109-W117 HydrophobicContact CD1-CH2 4.01Å; Y109-W117 AromaticContact CD1-CZ3 3.75Å; Y109-W117 HydrophobicContact CD1-CZ3 3.75Å; Y109-W117 AromaticContact CD2-CZ3 3.94Å; Y109-W117 HydrophobicContact CD2-CZ3 3.94Å; Y109-W117 HydrophobicContact CE1-CH2 4.24Å; Y109-W117 AromaticContact CE1-CZ3 3.56Å; Y109-W117 HydrophobicContact CE1-CZ3 3.56Å; Y109-W117 HydrophobicContact CE2-CE3 4.18Å; Y109-W117 AromaticContact CE2-CZ3 3.75Å; Y109-W117 HydrophobicContact CE2-CZ3 3.75Å; Y109-W117 HydrophobicContact CG-CH2 4.17Å; Y109-W117 AromaticContact CG-CZ3 3.94Å; Y109-W117 HydrophobicContact CG-CZ3 3.94Å; Y109-W117 AromaticContact CZ-CZ3 3.56Å; E113-W117 HydrophobicContact CB-CD2 4.27Å; E113-W117 HydrophobicContact CB-CE3 4.26Å; E113-W117 HydrophobicContact CB-CH2 3.99Å; E113-W117 HydrophobicContact CB-CZ2 3.99Å; E113-W117 HydrophobicContact CB-CZ3 4.11Å; E113-W117 HydrophobicContact CG-CH2 4.48Å; E113-W117 HydrophobicContact CG-CZ2 4.3Å; E113-W117 WeakPolarHBondContact O-CB 3.43Å; E113-W117 VanDerWaalsContact O-CG 3.24Å; E113-W117 PolarHBondContact O-N 2.86Å; W117-W119 VanDerWaalsContact C-N 3.34Å; W117-L121 WeakPolarHBondContact O-CB 3.11Å; W117-L121 PolarHBondContact O-N 3.27Å
118A97.9Very high96.9Very high1 Ų139.3 Ų39.31%0.00819%0.185CC..Hα-helixtrans-63-44.8173.100000111.3A114 C115 L122 W156 I190 W215 L217A114-A118 VanDerWaalsContact O-CB 3.25Å; A114-A118 WeakPolarHBondContact O-CB 3.41Å; A114-A118 PolarHBondContact O-N 3.21Å; A114-A118 VanDerWaalsContact O-N 3.1Å; C115-A118 PolarHBondContact O-N 2.93Å; A118-L122 VanDerWaalsContact O-CG 3.29Å; A118-L122 WeakPolarHBondContact O-CG 3.47Å; A118-L122 PolarHBondContact O-N 3.33Å; A118-L122 VanDerWaalsContact O-N 3.13Å; A118-W156 HydrophobicContact CB-CH2 4.38Å; A118-I190 HydrophobicContact CB-CD1 4.03Å; A118-W215 HydrophobicContact CB-CD2 4.39Å; A118-W215 HydrophobicContact CB-CE3 3.76Å; A118-W215 HydrophobicContact CB-CH2 3.75Å; A118-W215 HydrophobicContact CB-CZ2 4.35Å; A118-W215 HydrophobicContact CB-CZ3 3.43Å; A118-W215 VanDerWaalsContact CB-CZ3 3.43Å; A118-L217 HydrophobicContact CB-CD2 4Å
119W97.7Very high96.8Very high34 Ų3437.4 Ų37.413%0.12918%0.176CC..Hα-helixtrans-63.5-46.2176.5-169.8-106.7000112.7C115 E116 W117 L121 L122 T123 L133 W156 I159 L161C115-W119 WeakPolarHBondContact O-CB 3.18Å; C115-W119 PolarHBondContact O-N 3.09Å; E116-W119 PolarHBondContact O-N 2.84Å; W117-W119 VanDerWaalsContact C-N 3.34Å; W119-L121 PolarHBondContact O-N 2.97Å; W119-L122 PolarHBondContact O-N 2.78Å; W119-T123 HydrophobicContact CD2-CG2 3.81Å; W119-T123 HydrophobicContact CE3-CG2 3.96Å; W119-T123 HydrophobicContact CG-CG2 4.46Å; W119-T123 HydrophobicContact CH2-CG2 3.99Å; W119-T123 HydrophobicContact CZ2-CG2 3.83Å; W119-T123 HydrophobicContact CZ3-CG2 4.04Å; W119-T123 WeakPolarHBondContact O-CB 3.14Å; W119-T123 PolarHBondContact O-N 2.83Å; W119-T123 PolarHBondContact O-OG1 2.85Å; W119-L133 HydrophobicContact CE3-CD1 4.28Å; W119-L133 HydrophobicContact CH2-CD1 4.26Å; W119-L133 HydrophobicContact CZ3-CB 4.18Å; W119-L133 HydrophobicContact CZ3-CD1 3.68Å; W119-W156 HydrophobicContact CB-CZ3 4.22Å; W119-W156 HydrophobicContact CE3-CZ3 4.07Å; W119-I159 HydrophobicContact CB-CG2 3.82Å; W119-I159 HydrophobicContact CD2-CG2 3.8Å; W119-I159 HydrophobicContact CG-CG2 3.34Å; W119-L161 HydrophobicContact CD2-CD1 3.91Å; W119-L161 HydrophobicContact CE3-CD1 3.56Å; W119-L161 HydrophobicContact CE3-CG 4.41Å; W119-L161 HydrophobicContact CH2-CD1 3.38Å; W119-L161 HydrophobicContact CH2-CD2 4.33Å; W119-L161 HydrophobicContact CH2-CG 3.64Å; W119-L161 HydrophobicContact CZ2-CD1 3.74Å; W119-L161 HydrophobicContact CZ2-CG 4.36Å; W119-L161 HydrophobicContact CZ3-CD1 3.3Å; W119-L161 HydrophobicContact CZ3-CD2 3.92Å; W119-L161 HydrophobicContact CZ3-CG 3.69Å
120E97.7Very high96.6Very high50 Ų5039.7 Ų39.723%0.23419%0.193CC..Iπ-helixtrans-57.5-48.4177.9-175.3-173.8164.400111F17 K21 E116 E124 V125F17-E120 HydrophobicContact CE2-CB 4.38Å; F17-E120 HydrophobicContact CE2-CG 3.87Å; F17-E120 HydrophobicContact CZ-CB 4.07Å; F17-E120 HydrophobicContact CZ-CG 4.03Å; K21-E120 IonicContact NZ-OE1 3.72Å; K21-E120 PolarHBondContact NZ-OE1 3.47Å; K21-E120 IonicContact NZ-OE2 2.77Å; K21-E120 PolarHBondContact NZ-OE2 3.28Å; E116-E120 WeakPolarHBondContact O-CB 3.18Å; E116-E120 PolarHBondContact O-N 2.89Å; E120-E124 HydrophobicContact CG-CB 4.39Å; E120-E124 WeakPolarHBondContact O-CA 3.37Å; E120-E124 VanDerWaalsContact O-CB 3.22Å; E120-E124 WeakPolarHBondContact O-CB 3.31Å; E120-E124 PolarHBondContact O-N 3.06Å; E120-V125 PolarHBondContact O-N 3.29Å
121L97.5Very high96.5Very high0 Ų043.3 Ų43.30%021%0.211CC..Iπ-helixtrans-61.7-49.1179.2-179.561.6000111.9F14 F17 F18 W117 W119 V125 W126 W215 M242F14-L121 HydrophobicContact CD2-CD2 3.76Å; F14-L121 HydrophobicContact CE2-CD2 4.19Å; F17-L121 HydrophobicContact CB-CD1 4.03Å; F17-L121 HydrophobicContact CD1-CB 4.13Å; F17-L121 HydrophobicContact CD1-CD1 4.03Å; F17-L121 HydrophobicContact CD1-CD2 4.26Å; F17-L121 HydrophobicContact CD1-CG 4.37Å; F17-L121 HydrophobicContact CD2-CD1 4.23Å; F17-L121 HydrophobicContact CE1-CB 3.85Å; F17-L121 HydrophobicContact CE2-CB 4.45Å; F17-L121 HydrophobicContact CG-CD1 3.83Å; F17-L121 HydrophobicContact CZ-CB 4.02Å; F18-L121 HydrophobicContact CE2-CD2 4.05Å; W117-L121 WeakPolarHBondContact O-CB 3.11Å; W117-L121 PolarHBondContact O-N 3.27Å; W119-L121 PolarHBondContact O-N 2.97Å; L121-V125 HydrophobicContact CD1-CB 4.06Å; L121-V125 HydrophobicContact CD1-CG1 4.18Å; L121-V125 HydrophobicContact CD1-CG2 4.35Å; L121-V125 WeakPolarHBondContact O-CB 3.32Å; L121-V125 PolarHBondContact O-N 3.06Å; L121-W126 HydrophobicContact CD1-CD2 4.21Å; L121-W126 HydrophobicContact CD1-CH2 4.39Å; L121-W126 HydrophobicContact CD1-CZ2 3.94Å; L121-W126 HydrophobicContact CD2-CH2 3.86Å; L121-W126 HydrophobicContact CD2-CZ2 4.17Å; L121-W126 HydrophobicContact CD2-CZ3 4.13Å; L121-W126 HydrophobicContact CG-CD2 4.27Å; L121-W126 HydrophobicContact CG-CE3 4.21Å; L121-W126 HydrophobicContact CG-CH2 4.13Å; L121-W126 HydrophobicContact CG-CZ2 4.18Å; L121-W126 HydrophobicContact CG-CZ3 4.13Å; L121-W126 PolarHBondContact O-N 3.47Å; L121-W215 HydrophobicContact CB-CZ3 4.4Å; L121-W215 HydrophobicContact CD2-CH2 3.78Å; L121-W215 HydrophobicContact CD2-CZ3 4.01Å; L121-M242 HydrophobicContact CD2-CE 4.15Å
122L96.8Very high96.4Very high0 Ų045 Ų450%022%0.217CC..Iπ-helixtrans-68.5-47.7-176.2-64.7176.7000112A118 W119 W126 K127 I128 L133 I190 I214 W215 M242A118-L122 VanDerWaalsContact O-CG 3.29Å; A118-L122 WeakPolarHBondContact O-CG 3.47Å; A118-L122 PolarHBondContact O-N 3.33Å; A118-L122 VanDerWaalsContact O-N 3.13Å; W119-L122 PolarHBondContact O-N 2.78Å; L122-W126 HydrophobicContact CD2-CE3 3.91Å; L122-W126 HydrophobicContact CD2-CZ3 3.98Å; L122-K127 PolarHBondContact O-N 3.3Å; L122-I128 HydrophobicContact CB-CD1 4.41Å; L122-I128 HydrophobicContact CD2-CD1 3.87Å; L122-I128 VanDerWaalsContact O-CB 3.31Å; L122-I128 WeakPolarHBondContact O-CB 3.42Å; L122-I128 PolarHBondContact O-N 3.04Å; L122-L133 HydrophobicContact CB-CD1 4.37Å; L122-L133 HydrophobicContact CD1-CD1 4.4Å; L122-I190 HydrophobicContact CD1-CD1 3.87Å; L122-I190 HydrophobicContact CD1-CG2 3.86Å; L122-I214 HydrophobicContact CD1-CD1 4.12Å; L122-I214 HydrophobicContact CD2-CD1 3.98Å; L122-W215 HydrophobicContact CD1-CE3 4.05Å; L122-W215 HydrophobicContact CD1-CZ3 4.48Å; L122-W215 HydrophobicContact CD2-CE3 4.23Å; L122-W215 HydrophobicContact CD2-CZ3 4.41Å; L122-W215 HydrophobicContact CG-CE3 4.1Å; L122-W215 HydrophobicContact CG-CZ3 4.13Å; L122-M242 HydrophobicContact CD2-CE 4.25Å
123T95.7Very high96.3Very high21 Ų2139.5 Ų39.513%0.12919%0.193CC..Iπ-helixtrans-96.1-33.9-168.666.50000113.5W119 K127 L133W119-T123 HydrophobicContact CD2-CG2 3.81Å; W119-T123 HydrophobicContact CE3-CG2 3.96Å; W119-T123 HydrophobicContact CG-CG2 4.46Å; W119-T123 HydrophobicContact CH2-CG2 3.99Å; W119-T123 HydrophobicContact CZ2-CG2 3.83Å; W119-T123 HydrophobicContact CZ3-CG2 4.04Å; W119-T123 WeakPolarHBondContact O-CB 3.14Å; W119-T123 PolarHBondContact O-N 2.83Å; W119-T123 PolarHBondContact O-OG1 2.85Å; T123-K127 WeakPolarHBondContact O-CA 3.46Å; T123-K127 WeakPolarHBondContact O-CD 3.45Å; T123-L133 HydrophobicContact CG2-CD1 3.77Å
124E95.5Very high96.3Very high113 Ų11336.4 Ų36.453%0.52818%0.178SC..Iπ-helixtrans-95.9-40.5-177.4-55.3-170-175.600112.8E120 K127E120-E124 HydrophobicContact CG-CB 4.39Å; E120-E124 WeakPolarHBondContact O-CA 3.37Å; E120-E124 VanDerWaalsContact O-CB 3.22Å; E120-E124 WeakPolarHBondContact O-CB 3.31Å; E120-E124 PolarHBondContact O-N 3.06Å; E124-K127 WeakPolarHBondContact O-CD 3.19Å; E124-K127 WeakPolarHBondContact O-CE 3.47Å; E124-K127 PolarHBondContact O-NZ 2.68Å
125V95.1Very high96.3Very high59 Ų5936.2 Ų36.236%0.35818%0.177SC..Iπ-helixtrans-84.3-58.6-179.8-177.50000110.4F17 E120 L121 K127F17-V125 HydrophobicContact CD2-CG2 3.85Å; F17-V125 HydrophobicContact CE2-CG2 3.98Å; E120-V125 PolarHBondContact O-N 3.29Å; L121-V125 HydrophobicContact CD1-CB 4.06Å; L121-V125 HydrophobicContact CD1-CG1 4.18Å; L121-V125 HydrophobicContact CD1-CG2 4.35Å; L121-V125 WeakPolarHBondContact O-CB 3.32Å; L121-V125 PolarHBondContact O-N 3.06Å; V125-K127 VanDerWaalsContact C-N 3.34Å
126W95.8Very high96.3Very high9 Ų936.2 Ų36.23%0.03418%0.177CC..SBendtrans-83.7-9.4-177.4-67.2-20.3000114.6L10 Q13 F14 L121 L122 I128 M242 V247 L251L10-W126 HydrophobicContact CD1-CD2 4Å; L10-W126 HydrophobicContact CD1-CE3 4.39Å; L10-W126 HydrophobicContact CD1-CH2 3.72Å; L10-W126 HydrophobicContact CD1-CZ2 3.24Å; L10-W126 HydrophobicContact CD1-CZ3 4.28Å; L10-W126 HydrophobicContact CG-CZ2 4.31Å; Q13-W126 VanDerWaalsContact OE1-CD1 3.28Å; F14-W126 HydrophobicContact CB-CZ2 4.16Å; F14-W126 HydrophobicContact CD2-CH2 4.28Å; L121-W126 HydrophobicContact CD1-CD2 4.21Å; L121-W126 HydrophobicContact CD1-CH2 4.39Å; L121-W126 HydrophobicContact CD1-CZ2 3.94Å; L121-W126 HydrophobicContact CD2-CH2 3.86Å; L121-W126 HydrophobicContact CD2-CZ2 4.17Å; L121-W126 HydrophobicContact CD2-CZ3 4.13Å; L121-W126 HydrophobicContact CG-CD2 4.27Å; L121-W126 HydrophobicContact CG-CE3 4.21Å; L121-W126 HydrophobicContact CG-CH2 4.13Å; L121-W126 HydrophobicContact CG-CZ2 4.18Å; L121-W126 HydrophobicContact CG-CZ3 4.13Å; L121-W126 PolarHBondContact O-N 3.47Å; L122-W126 HydrophobicContact CD2-CE3 3.91Å; L122-W126 HydrophobicContact CD2-CZ3 3.98Å; W126-I128 HydrophobicContact CB-CG1 4.29Å; W126-I128 HydrophobicContact CE3-CD1 4.48Å; W126-I128 PolarHBondContact O-N 3.28Å; W126-M242 HydrophobicContact CH2-CE 3.99Å; W126-M242 HydrophobicContact CH2-SD 3.58Å; W126-M242 VanDerWaalsContact CH2-SD 3.58Å; W126-M242 HydrophobicContact CZ3-CE 3.73Å; W126-M242 HydrophobicContact CZ3-SD 3.6Å; W126-V247 HydrophobicContact CE3-CG2 3.98Å; W126-V247 HydrophobicContact CZ3-CG2 3.64Å; W126-L251 HydrophobicContact CB-CD1 4.32Å; W126-L251 HydrophobicContact CB-CD2 3.92Å; W126-L251 HydrophobicContact CD2-CD1 3.93Å; W126-L251 HydrophobicContact CE3-CD1 4.07Å; W126-L251 HydrophobicContact CG-CD1 4.04Å
127K95Very high96.3Very high123 Ų12334.1 Ų34.154%0.53517%0.166SC..  trans54.241.6177.6-53.8-58.3-168.4-1650112M1 L122 T123 E124 V125M1-K127 PolarHBondContact N-O 3.49Å; L122-K127 PolarHBondContact O-N 3.3Å; T123-K127 WeakPolarHBondContact O-CA 3.46Å; T123-K127 WeakPolarHBondContact O-CD 3.45Å; E124-K127 WeakPolarHBondContact O-CD 3.19Å; E124-K127 WeakPolarHBondContact O-CE 3.47Å; E124-K127 PolarHBondContact O-NZ 2.68Å; V125-K127 VanDerWaalsContact C-N 3.34Å
128I94.6Very high96.3Very high3 Ų332.7 Ų32.72%0.01516%0.161CC..  trans-69.5129.6166.4-62.4179.3000107.1M1 L122 W126 S130 L133 Y192 V247 V250 L251M1-I128 HydrophobicContact CE-CB 4.3Å; M1-I128 HydrophobicContact CE-CG1 4.23Å; M1-I128 HydrophobicContact CE-CG2 3.93Å; L122-I128 HydrophobicContact CB-CD1 4.41Å; L122-I128 HydrophobicContact CD2-CD1 3.87Å; L122-I128 VanDerWaalsContact O-CB 3.31Å; L122-I128 WeakPolarHBondContact O-CB 3.42Å; L122-I128 PolarHBondContact O-N 3.04Å; W126-I128 HydrophobicContact CB-CG1 4.29Å; W126-I128 HydrophobicContact CE3-CD1 4.48Å; W126-I128 PolarHBondContact O-N 3.28Å; I128-S130 PolarHBondContact O-N 3.41Å; I128-L133 HydrophobicContact CG2-CD1 4.35Å; I128-L133 HydrophobicContact CG2-CD2 4.04Å; I128-L133 HydrophobicContact CG2-CG 4.26Å; I128-Y192 HydrophobicContact CG2-CD2 3.7Å; I128-Y192 HydrophobicContact CG2-CE2 3.65Å; I128-V247 HydrophobicContact CD1-CG2 4.47Å; I128-V250 HydrophobicContact CD1-CG1 4.32Å; I128-L251 HydrophobicContact CD1-CD2 4.07Å; I128-L251 HydrophobicContact CG1-CD2 3.72Å
129P93.8Very high96.2Very high35 Ų3534.2 Ų34.223%0.22718%0.176CC..  trans-62120.4-179.8-16.729000110.8M1 E131 R132M1-P129 HydrophobicContact CE-CG 4.23Å; P129-E131 VanDerWaalsContact C-N 3.26Å; P129-E131 VanDerWaalsContact CB-CD 3.43Å; P129-E131 WeakPolarHBondContact CB-OE1 3.49Å; P129-E131 WeakPolarHBondContact CB-OE2 3.31Å; P129-E131 PolarHBondContact O-N 3.01Å; P129-R132 HydrophobicContact CB-CG 4.32Å; P129-R132 PolarHBondContact O-N 3.36Å; P129-R132 VanDerWaalsContact O-N 3.16Å
130S93.9Very high96.1Very high55 Ų5533.4 Ų33.439%0.38518%0.179SC..G310 helixtrans-64.2-30.8-173.248.80000112.9I128 R132 L133I128-S130 PolarHBondContact O-N 3.41Å; S130-R132 PolarHBondContact O-N 2.87Å; S130-L133 PolarHBondContact O-N 3.22Å; S130-L133 VanDerWaalsContact O-N 3.14Å
131E93.8Very high95.8Very high105 Ų10532.5 Ų32.549%0.49118%0.176SC..G310 helixtrans-68.6-10.7178.374.4-74.2177.500113.6P129 H165P129-E131 VanDerWaalsContact C-N 3.26Å; P129-E131 VanDerWaalsContact CB-CD 3.43Å; P129-E131 WeakPolarHBondContact CB-OE1 3.49Å; P129-E131 WeakPolarHBondContact CB-OE2 3.31Å; P129-E131 PolarHBondContact O-N 3.01Å; E131-H165 PolarHBondContact O-CE1 3.3Å
132R95.2Very high95.3Very high43 Ų4340.5 Ų40.516%0.16222%0.217CC..G310 helixtrans-99.8-1.6175.8-62.1-178.3175.5-133-9.9112.8P129 S130 Y192 D193 R194 M195 D197P129-R132 HydrophobicContact CB-CG 4.32Å; P129-R132 PolarHBondContact O-N 3.36Å; P129-R132 VanDerWaalsContact O-N 3.16Å; S130-R132 PolarHBondContact O-N 2.87Å; R132-Y192 HydrophobicContact CB-CD2 3.93Å; R132-Y192 HydrophobicContact CB-CE2 3.56Å; R132-Y192 WeakPolarHBondContact CD-OH 3.25Å; R132-Y192 HydrophobicContact CG-CE2 4.37Å; R132-Y192 WeakPolarHBondContact O-CA 3.35Å; R132-D193 PolarHBondContact O-N 3.23Å; R132-R194 PolarHBondContact NH1-O 3.14Å; R132-M195 PolarHBondContact NH1-O 3.41Å; R132-M195 PolarHBondContact NH2-O 2.93Å; R132-M195 VanDerWaalsContact NH2-O 3.13Å; R132-D197 IonicContact NH2-OD2 3.85Å
133L96.9Very high94.7Very high0 Ų045.2 Ų45.20%025%0.25CC..EExtended strand (participates in β ladder)trans-94.5133.4-179.9-64.9173.9000110.4W119 L122 T123 I128 S130 H165 I190 H191 Y192 I214W119-L133 HydrophobicContact CE3-CD1 4.28Å; W119-L133 HydrophobicContact CH2-CD1 4.26Å; W119-L133 HydrophobicContact CZ3-CB 4.18Å; W119-L133 HydrophobicContact CZ3-CD1 3.68Å; L122-L133 HydrophobicContact CB-CD1 4.37Å; L122-L133 HydrophobicContact CD1-CD1 4.4Å; T123-L133 HydrophobicContact CG2-CD1 3.77Å; I128-L133 HydrophobicContact CG2-CD1 4.35Å; I128-L133 HydrophobicContact CG2-CD2 4.04Å; I128-L133 HydrophobicContact CG2-CG 4.26Å; S130-L133 PolarHBondContact O-N 3.22Å; S130-L133 VanDerWaalsContact O-N 3.14Å; L133-H165 PolarHBondContact O-ND1 2.93Å; L133-I190 HydrophobicContact CD2-CG2 4.08Å; L133-H191 WeakPolarHBondContact CA-O 3.34Å; L133-Y192 HydrophobicContact CD2-CD2 4Å; L133-I214 HydrophobicContact CD2-CD1 4.17Å
134Y98Very high94.1Very high2 Ų248 Ų481%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-120.7145.4170.6-64.6-101.2000107.5H165 L167 I190 H191 D193 R198 A200 A201 V204Y134-H165 HydrophobicContact CD1-CB 4.13Å; Y134-H165 AromaticContact CD1-CG 3.92Å; Y134-H165 AromaticContact CD1-ND1 3.93Å; Y134-H165 HydrophobicContact CE1-CB 4.5Å; Y134-H165 AromaticContact CE1-CD2 3.92Å; Y134-H165 AromaticContact CE1-CE1 3.78Å; Y134-H165 AromaticContact CE1-CG 3.83Å; Y134-H165 AromaticContact CE1-ND1 3.75Å; Y134-H165 AromaticContact CE1-NE2 3.92Å; Y134-H165 AromaticContact CZ-CE1 3.57Å; Y134-H165 AromaticContact CZ-ND1 3.85Å; Y134-H165 AromaticContact CZ-NE2 3.97Å; Y134-L167 HydrophobicContact CD1-CD1 4.46Å; Y134-I190 WeakPolarHBondContact O-CA 3.32Å; Y134-H191 PolarHBondContact N-O 3.26Å; Y134-H191 PolarHBondContact O-N 3.01Å; Y134-D193 HydrophobicContact CE2-CB 4.22Å; Y134-R198 PolarHBondContact OH-O 3.16Å; Y134-A200 HydrophobicContact CE2-CB 3.87Å; Y134-A200 PolarHBondContact OH-N 3.07Å; Y134-A201 HydrophobicContact CD1-CB 4.32Å; Y134-A201 HydrophobicContact CE1-CB 4.04Å; Y134-V204 HydrophobicContact CD1-CG2 4.28Å; Y134-V204 HydrophobicContact CG-CG2 4.01Å
135V98Very high93.6Very high0 Ų045.6 Ų45.60%027%0.27CS..EExtended strand (participates in β ladder)trans-127.9148.2177-58.40000110.5W156 L161 H165 V166 L167 E189 I190V135-W156 HydrophobicContact CB-CD2 4.28Å; V135-W156 HydrophobicContact CB-CG 4.43Å; V135-W156 HydrophobicContact CG1-CD2 4.14Å; V135-W156 HydrophobicContact CG1-CE3 4.25Å; V135-W156 HydrophobicContact CG1-CH2 4.26Å; V135-W156 HydrophobicContact CG1-CZ2 4.12Å; V135-W156 HydrophobicContact CG1-CZ3 4.32Å; V135-W156 HydrophobicContact CG2-CB 4.02Å; V135-W156 HydrophobicContact CG2-CD2 3.92Å; V135-W156 HydrophobicContact CG2-CG 3.66Å; V135-L161 HydrophobicContact CB-CD2 4.12Å; V135-L161 HydrophobicContact CG1-CD2 3.53Å; V135-L161 HydrophobicContact CG2-CD2 3.48Å; V135-L161 VanDerWaalsContact CG2-CD2 3.48Å; V135-H165 PolarHBondContact N-O 2.92Å; V135-V166 HydrophobicContact CG2-CB 4.22Å; V135-V166 HydrophobicContact CG2-CG1 4.16Å; V135-V166 HydrophobicContact CG2-CG2 3.79Å; V135-V166 CarbonylContact O-C 3.58Å; V135-V166 WeakPolarHBondContact O-CA 3.05Å; V135-L167 PolarHBondContact O-N 3.29Å; V135-E189 CarbonylContact C-O 3.54Å; V135-E189 WeakPolarHBondContact CA-O 3.31Å; V135-I190 HydrophobicContact CG1-CB 4.46Å; V135-I190 HydrophobicContact CG1-CG1 4.09Å; V135-I190 HydrophobicContact CG1-CG2 4.24Å
136T97.9Very high93.5Very high0 Ų043.7 Ų43.70%026%0.257CS..EExtended strand (participates in β ladder)trans-111.9159.4178.865.80000111.4L167 F169 N174 S188 E189 V204T136-L167 CarbonylContact C-O 3.49Å; T136-L167 WeakPolarHBondContact CA-O 3.34Å; T136-F169 HydrophobicContact CG2-CD2 3.65Å; T136-F169 HydrophobicContact CG2-CE2 3.52Å; T136-N174 VanDerWaalsContact CB-OD1 3.31Å; T136-N174 WeakPolarHBondContact CB-OD1 3.39Å; T136-N174 PolarHBondContact OG1-ND2 2.97Å; T136-N174 PolarHBondContact OG1-OD1 3.45Å; T136-S188 VanDerWaalsContact O-CA 3.23Å; T136-S188 WeakPolarHBondContact O-CA 3.28Å; T136-S188 WeakPolarHBondContact O-CB 3.34Å; T136-S188 PolarHBondContact O-OG 2.94Å; T136-E189 PolarHBondContact N-O 3.38Å; T136-E189 VanDerWaalsContact OG1-CB 3.26Å; T136-E189 WeakPolarHBondContact OG1-CB 3.21Å; T136-E189 PolarHBondContact OG1-N 3.45Å; T136-E189 PolarHBondContact OG1-O 3.17Å; T136-E189 PolarHBondContact OG1-OE2 2.87Å; T136-V204 HydrophobicContact CG2-CG1 3.62Å
137Y97.9Very high93.4Very high29 Ų2948.2 Ų48.211%0.11429%0.288CS..EExtended strand (participates in β ladder)trans-143.1154.617172.3-81.1000110.7G139 D149 R153 V166 L167 P168 F169 N174Y137-G139 PolarHBondContact O-N 3.22Å; Y137-G139 VanDerWaalsContact O-N 3.11Å; Y137-D149 WeakPolarHBondContact CD2-O 3.14Å; Y137-R153 HydrophobicContact CD1-CB 4.07Å; Y137-R153 HydrophobicContact CD1-CG 4.34Å; Y137-R153 HydrophobicContact CD2-CB 4.11Å; Y137-R153 HydrophobicContact CE1-CB 4.13Å; Y137-R153 HydrophobicContact CE1-CG 4Å; Y137-R153 HydrophobicContact CE2-CB 4.17Å; Y137-R153 HydrophobicContact CG-CB 4.05Å; Y137-V166 HydrophobicContact CD1-CG1 3.92Å; Y137-V166 HydrophobicContact CE1-CG1 4.23Å; Y137-L167 WeakPolarHBondContact CD1-O 3.48Å; Y137-L167 PolarHBondContact N-O 2.81Å; Y137-P168 HydrophobicContact CE1-CB 3.82Å; Y137-P168 HydrophobicContact CE1-CG 4.34Å; Y137-P168 HydrophobicContact CE2-CB 4.16Å; Y137-P168 WeakPolarHBondContact O-CA 3.38Å; Y137-F169 PolarHBondContact O-N 2.82Å; Y137-F169 VanDerWaalsContact O-N 3.08Å; Y137-N174 PolarHBondContact N-OD1 3.46Å; Y137-N174 PolarHBondContact O-OD1 2.78Å; Y137-N174 VanDerWaalsContact O-OD1 3.09Å
138F97.7Very high93.4Very high4 Ų444.3 Ų44.32%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-64113.3178.8-177-119.7000111.7G140 D141 L146 P147 A148 D149 M171 N174 F175 P186F138-G140 VanDerWaalsContact CE1-CA 3.42Å; F138-G140 VanDerWaalsContact CZ-C 3.43Å; F138-G140 PolarHBondContact O-N 3.15Å; F138-D141 HydrophobicContact CZ-CB 4.09Å; F138-L146 HydrophobicContact CE1-CB 3.84Å; F138-L146 HydrophobicContact CZ-CB 4.02Å; F138-L146 HydrophobicContact CZ-CD1 4.24Å; F138-P147 WeakPolarHBondContact CD1-O 3.44Å; F138-P147 WeakPolarHBondContact CE1-O 3.48Å; F138-A148 CarbonylContact O-C 3.5Å; F138-A148 WeakPolarHBondContact O-CA 3.39Å; F138-D149 HydrophobicContact CB-CB 3.97Å; F138-D149 PolarHBondContact O-N 3.15Å; F138-M171 HydrophobicContact CE2-CB 4.18Å; F138-N174 HydrophobicContact CB-CB 3.95Å; F138-N174 WeakPolarHBondContact CB-O 3.29Å; F138-N174 HydrophobicContact CD2-CB 4.16Å; F138-N174 WeakPolarHBondContact CD2-O 3.4Å; F138-F175 HydrophobicContact CD2-CB 4.25Å; F138-F175 HydrophobicContact CE1-CD2 4.45Å; F138-F175 HydrophobicContact CE2-CB 4.01Å; F138-F175 HydrophobicContact CE2-CD2 4.25Å; F138-F175 HydrophobicContact CZ-CD2 4.13Å; F138-P186 HydrophobicContact CB-CB 3.69Å; F138-P186 HydrophobicContact CD1-CB 3.9Å; F138-P186 HydrophobicContact CG-CB 3.91Å
139G96.3Very high93.5Very high33 Ų3344.6 Ų44.634%0.3428%0.28SS..  trans-77.20.1179.100000114.6Y137 A148 F169Y137-G139 PolarHBondContact O-N 3.22Å; Y137-G139 VanDerWaalsContact O-N 3.11Å; G139-A148 WeakPolarHBondContact O-CB 3.28Å; G139-F169 WeakPolarHBondContact CA-O 3.42Å; G139-F169 PolarHBondContact N-O 2.94Å
140G94.4Very high93.6Very high18 Ų1848 Ų4819%0.18629%0.293CS..  trans94.1164.2-179.900000113.5F138F138-G140 VanDerWaalsContact CE1-CA 3.42Å; F138-G140 VanDerWaalsContact CZ-C 3.43Å; F138-G140 PolarHBondContact O-N 3.15Å
141D92.7Very high93.8Very high30 Ų3049.9 Ų49.916%0.1630%0.296CS..BIsolated β-bridgetrans-147.2105.9169.2172.938.3000110.4F138 S143 N144 G145 L146 M171F138-D141 HydrophobicContact CZ-CB 4.09Å; D141-S143 VanDerWaalsContact CG-OG 3.23Å; D141-S143 PolarHBondContact O-N 3.24Å; D141-S143 PolarHBondContact OD1-N 3.03Å; D141-S143 VanDerWaalsContact OD1-N 3.16Å; D141-S143 PolarHBondContact OD1-OG 3.43Å; D141-S143 PolarHBondContact OD2-OG 3.31Å; D141-N144 PolarHBondContact O-N 2.97Å; D141-N144 VanDerWaalsContact OD2-CB 3.26Å; D141-N144 WeakPolarHBondContact OD2-CB 3.48Å; D141-N144 PolarHBondContact OD2-N 2.92Å; D141-N144 VanDerWaalsContact OD2-N 3.12Å; D141-N144 PolarHBondContact OD2-ND2 2.98Å; D141-G145 PolarHBondContact O-N 3.42Å; D141-L146 CarbonylContact C-O 3.24Å; D141-L146 PolarHBondContact N-O 2.69Å; D141-L146 PolarHBondContact O-N 3.08Å; D141-M171 HydrophobicContact CB-CB 4.3Å
142I87.1Confident93.9Very high168 Ų16844.9 Ų44.986%0.86227%0.273SS*.G310 helixtrans-63.2-31.5-178-61.6171.1000110.7N144 G145I142-N144 PolarHBondContact O-N 2.99Å; I142-G145 PolarHBondContact O-N 2.99Å
143S84.4Confident94.1Very high100 Ų10045.6 Ų45.670%0.69928%0.275SS*.G310 helixtrans-68.6-33.3-17571.60000113.2D141D141-S143 VanDerWaalsContact CG-OG 3.23Å; D141-S143 PolarHBondContact O-N 3.24Å; D141-S143 PolarHBondContact OD1-N 3.03Å; D141-S143 VanDerWaalsContact OD1-N 3.16Å; D141-S143 PolarHBondContact OD1-OG 3.43Å; D141-S143 PolarHBondContact OD2-OG 3.31Å
144N82Confident94.1Very high78 Ų7849.5 Ų49.542%0.41730%0.296SS..G310 helixtrans-97.26.2173-71.6-81.2000113.8D141 I142 L146D141-N144 PolarHBondContact O-N 2.97Å; D141-N144 VanDerWaalsContact OD2-CB 3.26Å; D141-N144 WeakPolarHBondContact OD2-CB 3.48Å; D141-N144 PolarHBondContact OD2-N 2.92Å; D141-N144 VanDerWaalsContact OD2-N 3.12Å; D141-N144 PolarHBondContact OD2-ND2 2.98Å; I142-N144 PolarHBondContact O-N 2.99Å; N144-L146 VanDerWaalsContact C-N 3.35Å; N144-L146 HydrophobicContact CB-CD1 4.11Å; N144-L146 HydrophobicContact CB-CG 4.23Å
145G86.1Confident94.1Very high64 Ų6450.3 Ų50.366%0.6630%0.3SS*.THydrogen-bonded Turntrans69.928.1179.700000114.2D141 I142D141-G145 PolarHBondContact O-N 3.42Å; I142-G145 PolarHBondContact O-N 2.99Å
146L91.5Very high94.1Very high18 Ų1850.3 Ų50.39%0.09430%0.3CS..BIsolated β-bridgetrans-103.6120.6-177.3-64.1171.8000110.8F138 D141 N144 F175 F222 L230F138-L146 HydrophobicContact CE1-CB 3.84Å; F138-L146 HydrophobicContact CZ-CB 4.02Å; F138-L146 HydrophobicContact CZ-CD1 4.24Å; D141-L146 CarbonylContact C-O 3.24Å; D141-L146 PolarHBondContact N-O 2.69Å; D141-L146 PolarHBondContact O-N 3.08Å; N144-L146 VanDerWaalsContact C-N 3.35Å; N144-L146 HydrophobicContact CB-CD1 4.11Å; N144-L146 HydrophobicContact CB-CG 4.23Å; L146-F175 HydrophobicContact CD1-CD2 3.94Å; L146-F175 HydrophobicContact CD1-CE2 3.49Å; L146-F175 VanDerWaalsContact CD1-CE2 3.49Å; L146-F175 HydrophobicContact CD1-CZ 4Å; L146-F222 HydrophobicContact CD2-CE2 3.93Å; L146-F222 HydrophobicContact CD2-CZ 4.01Å; L146-L230 HydrophobicContact CD1-CD1 3.82Å; L146-L230 HydrophobicContact CD2-CD1 4.15Å; L146-L230 HydrophobicContact CG-CD1 4.35Å
147P93.5Very high94.1Very high105 Ų10553 Ų5368%0.68231%0.314SS*.PPolyproline II helixtrans-74.1163.9176.531.9-35.3000112.1F138F138-P147 WeakPolarHBondContact CD1-O 3.44Å; F138-P147 WeakPolarHBondContact CE1-O 3.48Å
148A96.2Very high94Very high40 Ų4055.9 Ų55.933%0.33134%0.339SS..PPolyproline II helixtrans-63.7144.3170.500000111.4F138 G139 E150F138-A148 CarbonylContact O-C 3.5Å; F138-A148 WeakPolarHBondContact O-CA 3.39Å; G139-A148 WeakPolarHBondContact O-CB 3.28Å; A148-E150 VanDerWaalsContact C-N 3.26Å; A148-E150 HydrophobicContact CB-CG 4.3Å; A148-E150 PolarHBondContact O-N 3.45Å
149D96.3Very high93.9Very high10 Ų1057.5 Ų57.55%0.05335%0.347CS..  trans-83.767.5176.2-162.9-17000111.3K111 Y137 F138 E151 A152 R153 F219K111-D149 WeakPolarHBondContact CE-OD2 3.39Å; K111-D149 IonicContact NZ-OD1 3.9Å; K111-D149 PolarHBondContact NZ-OD1 3.44Å; K111-D149 IonicContact NZ-OD2 2.67Å; K111-D149 PolarHBondContact NZ-OD2 2.98Å; Y137-D149 WeakPolarHBondContact CD2-O 3.14Å; F138-D149 HydrophobicContact CB-CB 3.97Å; F138-D149 PolarHBondContact O-N 3.15Å; D149-E151 PolarHBondContact O-N 3.45Å; D149-A152 HydrophobicContact CB-CB 4.44Å; D149-A152 PolarHBondContact O-N 3.25Å; D149-A152 PolarHBondContact OD1-N 2.96Å; D149-A152 VanDerWaalsContact OD1-N 3.08Å; D149-R153 PolarHBondContact O-N 3.17Å; D149-F219 WeakPolarHBondContact OD2-CD2 3.11Å
150E96.7Very high93.7Very high107 Ų10758.6 Ų58.650%0.536%0.358SS..Hα-helixtrans-64.3-25.2178-60.7-161.5119.300112.8A148 R153 D154A148-E150 VanDerWaalsContact C-N 3.26Å; A148-E150 HydrophobicContact CB-CG 4.3Å; A148-E150 PolarHBondContact O-N 3.45Å; E150-R153 WeakPolarHBondContact O-CB 3.45Å; E150-R153 PolarHBondContact O-N 3.29Å; E150-R153 IonicContact OE1-CZ 3.62Å; E150-R153 IonicContact OE1-NH1 2.81Å; E150-R153 PolarHBondContact OE1-NH1 3.5Å; E150-R153 IonicContact OE1-NH2 3.61Å; E150-D154 WeakPolarHBondContact O-CB 3.46Å; E150-D154 PolarHBondContact O-N 3.48Å
151E97.1Very high93.7Very high94 Ų9458 Ų5844%0.43935%0.351SS..Hα-helixtrans-61.6-47.7175.6-177.9-174.7-171.300110.9K111 D149 D154 I155K111-E151 HydrophobicContact CD-CB 4.36Å; K111-E151 VanDerWaalsContact CD-CD 3.5Å; K111-E151 HydrophobicContact CD-CG 3.94Å; K111-E151 VanDerWaalsContact CD-OE2 3.29Å; K111-E151 WeakPolarHBondContact CD-OE2 3.42Å; K111-E151 IonicContact NZ-OE2 2.87Å; K111-E151 PolarHBondContact NZ-OE2 3.02Å; D149-E151 PolarHBondContact O-N 3.45Å; E151-D154 PolarHBondContact O-N 3.14Å; E151-I155 HydrophobicContact CG-CD1 4Å; E151-I155 WeakPolarHBondContact O-CD1 3.31Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.27Å; E151-I155 PolarHBondContact O-N 2.68Å
152A97.1Very high93.7Very high0 Ų059.4 Ų59.40%036%0.362CS..Hα-helixtrans-63.1-42.317700000112D149 D154 I155 W156 F219D149-A152 HydrophobicContact CB-CB 4.44Å; D149-A152 PolarHBondContact O-N 3.25Å; D149-A152 PolarHBondContact OD1-N 2.96Å; D149-A152 VanDerWaalsContact OD1-N 3.08Å; A152-D154 PolarHBondContact O-N 2.72Å; A152-I155 PolarHBondContact O-N 3.35Å; A152-W156 PolarHBondContact O-N 2.92Å; A152-W156 VanDerWaalsContact O-N 3.09Å; A152-F219 HydrophobicContact CB-CE2 3.81Å; A152-F219 HydrophobicContact CB-CZ 4.25Å
153R97.8Very high94Very high57 Ų5759.2 Ų59.222%0.21536%0.355CS..Hα-helixtrans-55.6-50.7174.9178.6-161.369.4-152.4-4.6111.3Y137 D149 E150 I155 W156 I157 V166Y137-R153 HydrophobicContact CD1-CB 4.07Å; Y137-R153 HydrophobicContact CD1-CG 4.34Å; Y137-R153 HydrophobicContact CD2-CB 4.11Å; Y137-R153 HydrophobicContact CE1-CB 4.13Å; Y137-R153 HydrophobicContact CE1-CG 4Å; Y137-R153 HydrophobicContact CE2-CB 4.17Å; Y137-R153 HydrophobicContact CG-CB 4.05Å; D149-R153 PolarHBondContact O-N 3.17Å; E150-R153 WeakPolarHBondContact O-CB 3.45Å; E150-R153 PolarHBondContact O-N 3.29Å; E150-R153 IonicContact OE1-CZ 3.62Å; E150-R153 IonicContact OE1-NH1 2.81Å; E150-R153 PolarHBondContact OE1-NH1 3.5Å; E150-R153 IonicContact OE1-NH2 3.61Å; R153-I155 VanDerWaalsContact C-N 3.33Å; R153-I155 PolarHBondContact O-N 3.03Å; R153-W156 PolarHBondContact O-N 3.01Å; R153-I157 HydrophobicContact CG-CD1 3.94Å; R153-I157 WeakPolarHBondContact O-CG1 3.34Å; R153-I157 PolarHBondContact O-N 3.31Å; R153-I157 VanDerWaalsContact O-N 3.09Å; R153-V166 HydrophobicContact CB-CG1 4.34Å; R153-V166 HydrophobicContact CG-CG1 3.9Å
154D97.9Very high94.5Very high82 Ų8259 Ų5944%0.43935%0.346SS..Hα-helixtrans-68.6-34.5-175.1-67.1-11.6000111.6E150 E151 A152 S158E150-D154 WeakPolarHBondContact O-CB 3.46Å; E150-D154 PolarHBondContact O-N 3.48Å; E151-D154 PolarHBondContact O-N 3.14Å; A152-D154 PolarHBondContact O-N 2.72Å; D154-S158 WeakPolarHBondContact O-CB 3.4Å; D154-S158 PolarHBondContact O-N 2.82Å
155I98Very high95.2Very high19 Ų1956.3 Ų56.310%0.09733%0.33CS..Hα-helixtrans-60.6-51.2172.3-70.1162.2000110.6K111 K112 C115 E151 A152 R153 I157 S158 I159K111-I155 HydrophobicContact CB-CD1 3.63Å; K112-I155 HydrophobicContact CB-CD1 4.29Å; C115-I155 HydrophobicContact CB-CG2 3.57Å; E151-I155 HydrophobicContact CG-CD1 4Å; E151-I155 WeakPolarHBondContact O-CD1 3.31Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.27Å; E151-I155 PolarHBondContact O-N 2.68Å; A152-I155 PolarHBondContact O-N 3.35Å; R153-I155 VanDerWaalsContact C-N 3.33Å; R153-I155 PolarHBondContact O-N 3.03Å; I155-I157 VanDerWaalsContact C-N 3.35Å; I155-I157 PolarHBondContact O-N 3.49Å; I155-S158 WeakPolarHBondContact O-CB 3.38Å; I155-S158 PolarHBondContact O-N 3.2Å; I155-S158 PolarHBondContact O-OG 3.05Å; I155-I159 HydrophobicContact CG2-CD1 3.85Å; I155-I159 HydrophobicContact CG2-CG1 4.5Å; I155-I159 WeakPolarHBondContact O-CG1 3.46Å; I155-I159 PolarHBondContact O-N 3.44Å
156W97.9Very high95.7Very high0 Ų053.7 Ų53.70%030%0.302CS..Hα-helixtrans-60.6-41.7179.7-76.5123.1000113.3C115 A118 W119 V135 A152 R153 S158 I159 G160 L161 V166 S188 I190 L217C115-W156 HydrophobicContact CB-CD2 4.31Å; C115-W156 HydrophobicContact CB-CE3 4.4Å; C115-W156 HydrophobicContact CB-CH2 4.07Å; C115-W156 HydrophobicContact CB-CZ2 3.98Å; C115-W156 HydrophobicContact CB-CZ3 4.29Å; A118-W156 HydrophobicContact CB-CH2 4.38Å; W119-W156 HydrophobicContact CB-CZ3 4.22Å; W119-W156 HydrophobicContact CE3-CZ3 4.07Å; V135-W156 HydrophobicContact CB-CD2 4.28Å; V135-W156 HydrophobicContact CB-CG 4.43Å; V135-W156 HydrophobicContact CG1-CD2 4.14Å; V135-W156 HydrophobicContact CG1-CE3 4.25Å; V135-W156 HydrophobicContact CG1-CH2 4.26Å; V135-W156 HydrophobicContact CG1-CZ2 4.12Å; V135-W156 HydrophobicContact CG1-CZ3 4.32Å; V135-W156 HydrophobicContact CG2-CB 4.02Å; V135-W156 HydrophobicContact CG2-CD2 3.92Å; V135-W156 HydrophobicContact CG2-CG 3.66Å; A152-W156 PolarHBondContact O-N 2.92Å; A152-W156 VanDerWaalsContact O-N 3.09Å; R153-W156 PolarHBondContact O-N 3.01Å; W156-S158 VanDerWaalsContact C-N 3.29Å; W156-S158 PolarHBondContact O-N 3.47Å; W156-I159 HydrophobicContact CE3-CD1 3.91Å; W156-I159 HydrophobicContact CZ3-CD1 4.17Å; W156-I159 PolarHBondContact O-N 2.76Å; W156-G160 PolarHBondContact O-N 3.07Å; W156-L161 HydrophobicContact CE3-CD1 3.82Å; W156-L161 HydrophobicContact CE3-CD2 4.21Å; W156-L161 HydrophobicContact CZ3-CD1 4.38Å; W156-L161 PolarHBondContact O-N 2.84Å; W156-V166 HydrophobicContact CB-CG1 4.39Å; W156-V166 HydrophobicContact CB-CG2 4.06Å; W156-S188 PolarHBondContact NE1-OG 2.86Å; W156-I190 HydrophobicContact CH2-CD1 3.75Å; W156-I190 HydrophobicContact CH2-CG1 4.29Å; W156-I190 HydrophobicContact CZ2-CD1 4.11Å; W156-I190 HydrophobicContact CZ2-CG1 4.25Å; W156-L217 HydrophobicContact CH2-CD2 4.5Å; W156-L217 HydrophobicContact CZ2-CD2 4.03Å
157I97.1Very high96Very high56 Ų5654.2 Ų54.229%0.28730%0.304SS..Hα-helixtrans-62.4-39.6174.5-66.4169000110.4R153 I155 I159 G160 K163 V166R153-I157 HydrophobicContact CG-CD1 3.94Å; R153-I157 WeakPolarHBondContact O-CG1 3.34Å; R153-I157 PolarHBondContact O-N 3.31Å; R153-I157 VanDerWaalsContact O-N 3.09Å; I155-I157 VanDerWaalsContact C-N 3.35Å; I155-I157 PolarHBondContact O-N 3.49Å; I157-I159 VanDerWaalsContact C-N 3.34Å; I157-I159 PolarHBondContact O-N 3.39Å; I157-G160 PolarHBondContact O-N 2.8Å; I157-K163 HydrophobicContact CD1-CG 4.18Å; I157-K163 HydrophobicContact CG1-CG 4.4Å; I157-V166 HydrophobicContact CG1-CG2 4.22Å
158S97.1Very high96.2Very high91 Ų9152.7 Ų52.764%0.63630%0.295SS*.Hα-helixtrans-68.7-30179.378.90000113.9D154 I155 W156 G160D154-S158 WeakPolarHBondContact O-CB 3.4Å; D154-S158 PolarHBondContact O-N 2.82Å; I155-S158 WeakPolarHBondContact O-CB 3.38Å; I155-S158 PolarHBondContact O-N 3.2Å; I155-S158 PolarHBondContact O-OG 3.05Å; W156-S158 VanDerWaalsContact C-N 3.29Å; W156-S158 PolarHBondContact O-N 3.47Å; S158-G160 PolarHBondContact O-N 3.35Å
159I95.8Very high96.2Very high37 Ų3752.8 Ų52.819%0.1929%0.288CS..Hα-helixtrans-68.6-26.5173.8-69.9166.9000111C115 E116 W119 I155 W156 I157 L161C115-I159 HydrophobicContact CB-CD1 3.68Å; E116-I159 HydrophobicContact CG-CD1 4.08Å; E116-I159 HydrophobicContact CG-CG1 4.14Å; W119-I159 HydrophobicContact CB-CG2 3.82Å; W119-I159 HydrophobicContact CD2-CG2 3.8Å; W119-I159 HydrophobicContact CG-CG2 3.34Å; I155-I159 HydrophobicContact CG2-CD1 3.85Å; I155-I159 HydrophobicContact CG2-CG1 4.5Å; I155-I159 WeakPolarHBondContact O-CG1 3.46Å; I155-I159 PolarHBondContact O-N 3.44Å; W156-I159 HydrophobicContact CE3-CD1 3.91Å; W156-I159 HydrophobicContact CZ3-CD1 4.17Å; W156-I159 PolarHBondContact O-N 2.76Å; I157-I159 VanDerWaalsContact C-N 3.34Å; I157-I159 PolarHBondContact O-N 3.39Å; I159-L161 HydrophobicContact CG2-CD1 4.18Å
160G91.4Very high96.1Very high56 Ų5653.7 Ų53.758%0.57730%0.3SS*.THydrogen-bonded Turntrans120.611.717300000115W156 I157 S158W156-G160 PolarHBondContact O-N 3.07Å; I157-G160 PolarHBondContact O-N 2.8Å; S158-G160 PolarHBondContact O-N 3.35Å
161L93.3Very high95.8Very high6 Ų650.7 Ų50.73%0.03129%0.286CS..  trans-68.9140.2174.1-80.774.6000111W119 V135 W156 I159 V166W119-L161 HydrophobicContact CD2-CD1 3.91Å; W119-L161 HydrophobicContact CE3-CD1 3.56Å; W119-L161 HydrophobicContact CE3-CG 4.41Å; W119-L161 HydrophobicContact CH2-CD1 3.38Å; W119-L161 HydrophobicContact CH2-CD2 4.33Å; W119-L161 HydrophobicContact CH2-CG 3.64Å; W119-L161 HydrophobicContact CZ2-CD1 3.74Å; W119-L161 HydrophobicContact CZ2-CG 4.36Å; W119-L161 HydrophobicContact CZ3-CD1 3.3Å; W119-L161 HydrophobicContact CZ3-CD2 3.92Å; W119-L161 HydrophobicContact CZ3-CG 3.69Å; V135-L161 HydrophobicContact CB-CD2 4.12Å; V135-L161 HydrophobicContact CG1-CD2 3.53Å; V135-L161 HydrophobicContact CG2-CD2 3.48Å; V135-L161 VanDerWaalsContact CG2-CD2 3.48Å; W156-L161 HydrophobicContact CE3-CD1 3.82Å; W156-L161 HydrophobicContact CE3-CD2 4.21Å; W156-L161 HydrophobicContact CZ3-CD1 4.38Å; W156-L161 PolarHBondContact O-N 2.84Å; I159-L161 HydrophobicContact CG2-CD1 4.18Å; L161-V166 HydrophobicContact CB-CG2 4.02Å; L161-V166 HydrophobicContact CD2-CG2 4.49Å
162P93.2Very high95.5Very high59 Ų5955 Ų5538%0.38330%0.304SS..  trans-56.7143.6169.1-23.334.3000111.6D164 H165P162-D164 VanDerWaalsContact C-N 3.25Å; P162-D164 WeakPolarHBondContact CB-OD1 3.46Å; P162-D164 PolarHBondContact O-N 2.89Å; P162-H165 HydrophobicContact CB-CB 4.33Å; P162-H165 WeakPolarHBondContact O-CA 3.17Å; P162-H165 WeakPolarHBondContact O-CB 3.49Å; P162-H165 PolarHBondContact O-N 2.96Å
163K94.7Very high95.3Very high164 Ų16457.3 Ų57.371%0.71331%0.314SS*.G310 helixtrans-62.7-33.8-176.4-69.8-174.2177.3-176.50113.1I157 H165 V166I157-K163 HydrophobicContact CD1-CG 4.18Å; I157-K163 HydrophobicContact CG1-CG 4.4Å; K163-H165 PolarHBondContact O-N 3.29Å; K163-V166 PolarHBondContact O-N 3.03Å
164D94.3Very high95.2Very high96 Ų9654.6 Ų54.651%0.51330%0.304SS..G310 helixtrans-70.2-11174.150-20.5000113.4P162P162-D164 VanDerWaalsContact C-N 3.25Å; P162-D164 WeakPolarHBondContact CB-OD1 3.46Å; P162-D164 PolarHBondContact O-N 2.89Å
165H96.2Very high95Very high21 Ų2151.1 Ų51.110%0.09729%0.285CS..G310 helixtrans-97.1-0.4172.3-71.8-132.3000113.2E131 L133 Y134 V135 P162 K163E131-H165 PolarHBondContact O-CE1 3.3Å; L133-H165 PolarHBondContact O-ND1 2.93Å; Y134-H165 HydrophobicContact CD1-CB 4.13Å; Y134-H165 AromaticContact CD1-CG 3.92Å; Y134-H165 AromaticContact CD1-ND1 3.93Å; Y134-H165 HydrophobicContact CE1-CB 4.5Å; Y134-H165 AromaticContact CE1-CD2 3.92Å; Y134-H165 AromaticContact CE1-CE1 3.78Å; Y134-H165 AromaticContact CE1-CG 3.83Å; Y134-H165 AromaticContact CE1-ND1 3.75Å; Y134-H165 AromaticContact CE1-NE2 3.92Å; Y134-H165 AromaticContact CZ-CE1 3.57Å; Y134-H165 AromaticContact CZ-ND1 3.85Å; Y134-H165 AromaticContact CZ-NE2 3.97Å; V135-H165 PolarHBondContact N-O 2.92Å; P162-H165 HydrophobicContact CB-CB 4.33Å; P162-H165 WeakPolarHBondContact O-CA 3.17Å; P162-H165 WeakPolarHBondContact O-CB 3.49Å; P162-H165 PolarHBondContact O-N 2.96Å; K163-H165 PolarHBondContact O-N 3.29Å
166V97.7Very high94.8Very high10 Ų1051.7 Ų51.76%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-113.599.4-179.5-175.30000109.7V135 Y137 R153 W156 I157 L161 K163V135-V166 HydrophobicContact CG2-CB 4.22Å; V135-V166 HydrophobicContact CG2-CG1 4.16Å; V135-V166 HydrophobicContact CG2-CG2 3.79Å; V135-V166 CarbonylContact O-C 3.58Å; V135-V166 WeakPolarHBondContact O-CA 3.05Å; Y137-V166 HydrophobicContact CD1-CG1 3.92Å; Y137-V166 HydrophobicContact CE1-CG1 4.23Å; R153-V166 HydrophobicContact CB-CG1 4.34Å; R153-V166 HydrophobicContact CG-CG1 3.9Å; W156-V166 HydrophobicContact CB-CG1 4.39Å; W156-V166 HydrophobicContact CB-CG2 4.06Å; I157-V166 HydrophobicContact CG1-CG2 4.22Å; L161-V166 HydrophobicContact CB-CG2 4.02Å; L161-V166 HydrophobicContact CD2-CG2 4.49Å; K163-V166 PolarHBondContact O-N 3.03Å
167L97.6Very high94.4Very high28 Ų2853 Ų5315%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-110.3134.6-162.5-57174.6000113.2Y134 V135 T136 Y137 F169 A201 V204Y134-L167 HydrophobicContact CD1-CD1 4.46Å; V135-L167 PolarHBondContact O-N 3.29Å; T136-L167 CarbonylContact C-O 3.49Å; T136-L167 WeakPolarHBondContact CA-O 3.34Å; Y137-L167 WeakPolarHBondContact CD1-O 3.48Å; Y137-L167 PolarHBondContact N-O 2.81Å; L167-F169 HydrophobicContact CB-CD2 4.4Å; L167-F169 HydrophobicContact CB-CE2 3.74Å; L167-F169 HydrophobicContact CD1-CE2 4.44Å; L167-A201 HydrophobicContact CD1-CB 3.92Å; L167-A201 HydrophobicContact CD2-CB 4.01Å; L167-V204 HydrophobicContact CD1-CB 3.78Å; L167-V204 HydrophobicContact CD1-CG1 4.09Å; L167-V204 HydrophobicContact CD1-CG2 3.74Å
168P97.1Very high93.6Very high74 Ų7450.4 Ų50.448%0.48128%0.279SS..EExtended strand (participates in β ladder)trans-82.4135.317529-29.7000112.7Y137Y137-P168 HydrophobicContact CE1-CB 3.82Å; Y137-P168 HydrophobicContact CE1-CG 4.34Å; Y137-P168 HydrophobicContact CE2-CB 4.16Å; Y137-P168 WeakPolarHBondContact O-CA 3.38Å
169F96.4Very high92.5Very high41 Ų4146.8 Ų46.818%0.1826%0.256CS..EExtended strand (participates in β ladder)trans-133.3163165.9-64.6-99.2000113.2T136 Y137 G139 L167 E173 N174 V204 N205T136-F169 HydrophobicContact CG2-CD2 3.65Å; T136-F169 HydrophobicContact CG2-CE2 3.52Å; Y137-F169 PolarHBondContact O-N 2.82Å; Y137-F169 VanDerWaalsContact O-N 3.08Å; G139-F169 WeakPolarHBondContact CA-O 3.42Å; G139-F169 PolarHBondContact N-O 2.94Å; L167-F169 HydrophobicContact CB-CD2 4.4Å; L167-F169 HydrophobicContact CB-CE2 3.74Å; L167-F169 HydrophobicContact CD1-CE2 4.44Å; F169-E173 HydrophobicContact CB-CB 3.78Å; F169-E173 HydrophobicContact CB-CG 4.31Å; F169-E173 HydrophobicContact CD1-CB 4.48Å; F169-E173 HydrophobicContact CD1-CG 4.18Å; F169-E173 HydrophobicContact CG-CB 4.29Å; F169-E173 HydrophobicContact CG-CG 4.49Å; F169-N174 WeakPolarHBondContact CB-OD1 3.39Å; F169-V204 HydrophobicContact CE2-CG1 3.9Å; F169-V204 HydrophobicContact CZ-CB 4.27Å; F169-V204 HydrophobicContact CZ-CG1 3.96Å; F169-V204 WeakPolarHBondContact CZ-O 3.43Å; F169-N205 HydrophobicContact CD1-CB 4.16Å; F169-N205 HydrophobicContact CE1-CB 3.71Å; F169-N205 HydrophobicContact CZ-CB 3.95Å
170G94.2Very high91.5Very high30 Ų3053.5 Ų53.531%0.30929%0.286SS..  trans-79.2-166.4-175.700000114K172 E173 N174G170-K172 PolarHBondContact O-N 2.82Å; G170-E173 PolarHBondContact O-N 3.45Å; G170-N174 PolarHBondContact O-N 3.04Å
171M91Very high91Very high44 Ų4453 Ų5322%0.21727%0.272CS..Hα-helixtrans-63.4-25.9-179.7-166.4178.8-17300114.1F138 D141 F175F138-M171 HydrophobicContact CE2-CB 4.18Å; D141-M171 HydrophobicContact CB-CB 4.3Å; M171-F175 HydrophobicContact CB-CB 4.27Å; M171-F175 HydrophobicContact CE-CD1 3.81Å; M171-F175 HydrophobicContact CE-CE1 4.01Å; M171-F175 HydrophobicContact CE-CG 4.29Å; M171-F175 HydrophobicContact CG-CB 3.62Å; M171-F175 HydrophobicContact CG-CD1 4.23Å; M171-F175 HydrophobicContact CG-CG 3.98Å; M171-F175 WeakPolarHBondContact O-CB 3.4Å; M171-F175 PolarHBondContact O-N 3.21Å
172K90.1Very high90.7Very high185 Ų18552.9 Ų52.980%0.80427%0.272SS*.Hα-helixtrans-68.9-39.7-179177.9-178.9164.8-124.40111.9G170G170-K172 PolarHBondContact O-N 2.82Å
173E92.2Very high90.6Very high47 Ų4750 Ų5022%0.2225%0.254CS..Hα-helixtrans-96.4-50.6-178.1-6270.6-150.800111.6F169 G170 N205F169-E173 HydrophobicContact CB-CB 3.78Å; F169-E173 HydrophobicContact CB-CG 4.31Å; F169-E173 HydrophobicContact CD1-CB 4.48Å; F169-E173 HydrophobicContact CD1-CG 4.18Å; F169-E173 HydrophobicContact CG-CB 4.29Å; F169-E173 HydrophobicContact CG-CG 4.49Å; G170-E173 PolarHBondContact O-N 3.45Å; E173-N205 HydrophobicContact CG-CB 4.11Å
174N96.1Very high90.6Very high0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-105.424.9-170.6-75.3136.6000115.7T136 Y137 F138 F169 G170 P186 C187T136-N174 VanDerWaalsContact CB-OD1 3.31Å; T136-N174 WeakPolarHBondContact CB-OD1 3.39Å; T136-N174 PolarHBondContact OG1-ND2 2.97Å; T136-N174 PolarHBondContact OG1-OD1 3.45Å; Y137-N174 PolarHBondContact N-OD1 3.46Å; Y137-N174 PolarHBondContact O-OD1 2.78Å; Y137-N174 VanDerWaalsContact O-OD1 3.09Å; F138-N174 HydrophobicContact CB-CB 3.95Å; F138-N174 WeakPolarHBondContact CB-O 3.29Å; F138-N174 HydrophobicContact CD2-CB 4.16Å; F138-N174 WeakPolarHBondContact CD2-O 3.4Å; F169-N174 WeakPolarHBondContact CB-OD1 3.39Å; G170-N174 PolarHBondContact O-N 3.04Å; N174-P186 WeakPolarHBondContact O-CA 3.18Å; N174-C187 VanDerWaalsContact C-SG 3.6Å; N174-C187 VanDerWaalsContact CA-SG 3.58Å; N174-C187 PolarHBondContact ND2-O 2.64Å; N174-C187 PolarHBondContact O-N 2.86Å
175F94.6Very high90.6Very high10 Ų1037.7 Ų37.74%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-129.4107.3168.1-165.5-85.4000110.1F138 L146 M171 E177 C184 F222 L230F138-F175 HydrophobicContact CD2-CB 4.25Å; F138-F175 HydrophobicContact CE1-CD2 4.45Å; F138-F175 HydrophobicContact CE2-CB 4.01Å; F138-F175 HydrophobicContact CE2-CD2 4.25Å; F138-F175 HydrophobicContact CZ-CD2 4.13Å; L146-F175 HydrophobicContact CD1-CD2 3.94Å; L146-F175 HydrophobicContact CD1-CE2 3.49Å; L146-F175 VanDerWaalsContact CD1-CE2 3.49Å; L146-F175 HydrophobicContact CD1-CZ 4Å; M171-F175 HydrophobicContact CB-CB 4.27Å; M171-F175 HydrophobicContact CE-CD1 3.81Å; M171-F175 HydrophobicContact CE-CE1 4.01Å; M171-F175 HydrophobicContact CE-CG 4.29Å; M171-F175 HydrophobicContact CG-CB 3.62Å; M171-F175 HydrophobicContact CG-CD1 4.23Å; M171-F175 HydrophobicContact CG-CG 3.98Å; M171-F175 WeakPolarHBondContact O-CB 3.4Å; M171-F175 PolarHBondContact O-N 3.21Å; F175-E177 HydrophobicContact CD1-CG 3.83Å; F175-E177 HydrophobicContact CE1-CG 3.85Å; F175-C184 HydrophobicContact CE1-CB 4.27Å; F175-F222 HydrophobicContact CE2-CD2 4.34Å; F175-F222 HydrophobicContact CZ-CD2 4.3Å; F175-L230 HydrophobicContact CE1-CD1 4.44Å; F175-L230 HydrophobicContact CE1-CD2 4.5Å; F175-L230 HydrophobicContact CZ-CD1 3.82Å; F175-L230 HydrophobicContact CZ-CD2 4.27Å
176W93.7Very high90.7Very high30 Ų3037 Ų3711%0.11419%0.193CC..EExtended strand (participates in β ladder)trans-91.6136.2-170.2-170.196.9000112.2A44 M46 M178 C184 G185 C187 V218A44-W176 HydrophobicContact CB-CH2 3.96Å; A44-W176 HydrophobicContact CB-CZ2 3.64Å; M46-W176 HydrophobicContact CE-CH2 4.13Å; M46-W176 HydrophobicContact CE-CZ3 3.68Å; M46-W176 HydrophobicContact CG-CH2 3.55Å; M46-W176 HydrophobicContact CG-CZ2 4.45Å; M46-W176 HydrophobicContact CG-CZ3 4.01Å; M46-W176 HydrophobicContact SD-CH2 3.85Å; M46-W176 HydrophobicContact SD-CZ3 4.02Å; W176-M178 HydrophobicContact CH2-CB 3.41Å; W176-M178 VanDerWaalsContact CH2-CB 3.41Å; W176-M178 HydrophobicContact CZ2-CB 4.34Å; W176-M178 HydrophobicContact CZ3-CB 3.73Å; W176-M178 VanDerWaalsContact CZ3-N 3.35Å; W176-C184 WeakPolarHBondContact O-CA 3.15Å; W176-C184 WeakPolarHBondContact O-CB 3.45Å; W176-G185 PolarHBondContact N-O 3.43Å; W176-G185 PolarHBondContact O-N 3.39Å; W176-C187 HydrophobicContact CB-CB 4.3Å; W176-V218 HydrophobicContact CB-CB 4.37Å; W176-V218 HydrophobicContact CB-CG1 3.75Å; W176-V218 HydrophobicContact CB-CG2 3.66Å; W176-V218 HydrophobicContact CD2-CG1 4.38Å; W176-V218 HydrophobicContact CD2-CG2 4.04Å; W176-V218 HydrophobicContact CE3-CG1 4.2Å; W176-V218 HydrophobicContact CG-CG1 4.24Å; W176-V218 HydrophobicContact CG-CG2 3.61Å
177E89.3Confident90.7Very high27 Ų2736.5 Ų36.513%0.12619%0.19CC..EExtended strand (participates in β ladder)trans-145.8130.1179.7-55.8177.848.300110.7F175 G179 C184 R224F175-E177 HydrophobicContact CD1-CG 3.83Å; F175-E177 HydrophobicContact CE1-CG 3.85Å; E177-G179 VanDerWaalsContact C-N 3.32Å; E177-G179 PolarHBondContact O-N 2.95Å; E177-C184 HydrophobicContact CB-CB 4.37Å; E177-C184 HydrophobicContact CG-CB 3.87Å; E177-R224 WeakPolarHBondContact OE1-CD 3.48Å; E177-R224 IonicContact OE1-CZ 2.8Å; E177-R224 IonicContact OE1-NE 3.44Å; E177-R224 PolarHBondContact OE1-NE 2.93Å; E177-R224 IonicContact OE1-NH2 2.8Å; E177-R224 PolarHBondContact OE1-NH2 3.43Å; E177-R224 IonicContact OE2-CZ 2.69Å; E177-R224 IonicContact OE2-NE 3.67Å; E177-R224 IonicContact OE2-NH2 2.64Å; E177-R224 PolarHBondContact OE2-NH2 3.37Å
178M79Confident90.7Very high3 Ų335.1 Ų35.12%0.01518%0.183CC..SBendtrans-70.4-26.6-177.882.8-175.98000114.3N43 M46 K50 W176 P183N43-M178 PolarHBondContact ND2-O 3.32Å; N43-M178 VanDerWaalsContact ND2-O 3.1Å; M46-M178 HydrophobicContact CE-CE 3.52Å; M46-M178 HydrophobicContact SD-CB 4.22Å; M46-M178 HydrophobicContact SD-CE 3.44Å; M46-M178 WeakPolarHBondContact SD-CE 3.23Å; M46-M178 HydrophobicContact SD-SD 3.95Å; K50-M178 HydrophobicContact CD-CE 4.41Å; K50-M178 HydrophobicContact CD-SD 4Å; W176-M178 HydrophobicContact CH2-CB 3.41Å; W176-M178 VanDerWaalsContact CH2-CB 3.41Å; W176-M178 HydrophobicContact CZ2-CB 4.34Å; W176-M178 HydrophobicContact CZ3-CB 3.73Å; W176-M178 VanDerWaalsContact CZ3-N 3.35Å; M178-P183 HydrophobicContact CE-CB 4.14Å; M178-P183 HydrophobicContact CE-CG 4.07Å; M178-P183 WeakPolarHBondContact CE-O 3.36Å
179G75.3Confident90.7Very high14 Ų1432.3 Ų32.314%0.14416%0.163CC..SBendtrans-173.4-163-167.600000111E177 T181E177-G179 VanDerWaalsContact C-N 3.32Å; E177-G179 PolarHBondContact O-N 2.95Å; G179-T181 VanDerWaalsContact C-N 3.32Å
180E74.8Confident90.8Very high178 Ų17830.3 Ų30.383%0.83216%0.155SC*.SBendtrans-72.3-25.2179.6-65.1-175.7170.700113.4R224E180-R224 VanDerWaalsContact O-CD 3.25Å; E180-R224 WeakPolarHBondContact O-CD 3.45Å
181T80.2Confident91Very high45 Ų4529 Ų2928%0.27614%0.14SC..SBendtrans-137.7159.1177.361.50000111G179 R224 E226G179-T181 VanDerWaalsContact C-N 3.32Å; T181-R224 CarbonylContact C-O 3.52Å; T181-R224 VanDerWaalsContact CA-O 3.3Å; T181-R224 WeakPolarHBondContact CA-O 3.4Å; T181-R224 WeakPolarHBondContact CB-O 3.27Å; T181-E226 HydrophobicContact CG2-CB 4.41Å
182G86.6Confident91.2Very high4 Ų427.2 Ų27.24%0.04113%0.131CC..EExtended strand (participates in β ladder)trans116.3-175.717400000114.8N223 R224G182-N223 VanDerWaalsContact CA-OD1 3.31Å; G182-N223 WeakPolarHBondContact CA-OD1 3.38Å; G182-R224 PolarHBondContact N-O 3.34Å; G182-R224 PolarHBondContact O-N 2.78Å
183P91.8Very high91.5Very high0 Ų018.5 Ų18.50%09%0.093CC..EExtended strand (participates in β ladder)trans-56.8134.2179.6-24.427000113.6M46 F53 Q54 M178 I220 F222 N223 L233M46-P183 HydrophobicContact CE-CB 4.03Å; F53-P183 HydrophobicContact CB-CB 3.92Å; F53-P183 HydrophobicContact CB-CG 3.59Å; F53-P183 HydrophobicContact CD2-CG 4.45Å; F53-P183 HydrophobicContact CG-CB 4.43Å; F53-P183 HydrophobicContact CG-CG 4.42Å; Q54-P183 HydrophobicContact CG-CG 3.66Å; M178-P183 HydrophobicContact CE-CB 4.14Å; M178-P183 HydrophobicContact CE-CG 4.07Å; M178-P183 WeakPolarHBondContact CE-O 3.36Å; P183-I220 HydrophobicContact CB-CG2 3.92Å; P183-F222 CarbonylContact C-O 3.53Å; P183-F222 WeakPolarHBondContact CA-O 3.39Å; P183-N223 WeakPolarHBondContact CD-OD1 3.12Å; P183-L233 HydrophobicContact CB-CD1 4.22Å
184C94Very high91.5Very high1 Ų117.6 Ų17.61%0.0079%0.088CC..EExtended strand (participates in β ladder)trans-154.5171.5-176.660.10000112F175 W176 E177 Q221 F222 L230F175-C184 HydrophobicContact CE1-CB 4.27Å; W176-C184 WeakPolarHBondContact O-CA 3.15Å; W176-C184 WeakPolarHBondContact O-CB 3.45Å; E177-C184 HydrophobicContact CB-CB 4.37Å; E177-C184 HydrophobicContact CG-CB 3.87Å; C184-Q221 PolarHBondContact O-N 3.28Å; C184-F222 PolarHBondContact N-O 3.03Å; C184-F222 PolarHBondContact O-N 3.37Å; C184-F222 VanDerWaalsContact O-O 3.07Å; C184-L230 VanDerWaalsContact SG-CD2 3.52Å
185G95.5Very high91.3Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans176.4172.9176.400000114.4W176W176-G185 PolarHBondContact N-O 3.43Å; W176-G185 PolarHBondContact O-N 3.39Å
186P97.1Very high91.1Very high5 Ų522.6 Ų22.63%0.03212%0.115CC..EExtended strand (participates in β ladder)trans-61.6154.4169.528.7-33.1000110.1F138 N174 F219 Q221F138-P186 HydrophobicContact CB-CB 3.69Å; F138-P186 HydrophobicContact CD1-CB 3.9Å; F138-P186 HydrophobicContact CG-CB 3.91Å; N174-P186 WeakPolarHBondContact O-CA 3.18Å; P186-F219 HydrophobicContact CG-CB 4.3Å; P186-F219 HydrophobicContact CG-CD2 4.42Å; P186-F219 WeakPolarHBondContact O-CB 3.42Å; P186-F219 WeakPolarHBondContact O-CD2 3.49Å; P186-F219 PolarHBondContact O-N 2.96Å; P186-Q221 VanDerWaalsContact CD-NE2 3.28Å; P186-Q221 VanDerWaalsContact CG-NE2 3.33Å
187C97.6Very high91Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-138.5168.817873.30000112.7N174 W176 N216 L217 V218N174-C187 VanDerWaalsContact C-SG 3.6Å; N174-C187 VanDerWaalsContact CA-SG 3.58Å; N174-C187 PolarHBondContact ND2-O 2.64Å; N174-C187 PolarHBondContact O-N 2.86Å; W176-C187 HydrophobicContact CB-CB 4.3Å; C187-N216 WeakPolarHBondContact CB-OD1 3.37Å; C187-N216 PolarHBondContact SG-OD1 2.95Å; C187-L217 CarbonylContact C-O 3.39Å; C187-L217 WeakPolarHBondContact CA-O 3.44Å; C187-L217 VanDerWaalsContact CB-O 3.29Å; C187-L217 WeakPolarHBondContact CB-O 3.46Å; C187-V218 HydrophobicContact CB-CB 4.24Å; C187-V218 HydrophobicContact CB-CG1 4.44Å; C187-V218 HydrophobicContact CB-CG2 3.9Å
188S98.1Very high91.1Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-129.1119.7174.4-178.90000108.7T136 W156 L217T136-S188 VanDerWaalsContact O-CA 3.23Å; T136-S188 WeakPolarHBondContact O-CA 3.28Å; T136-S188 WeakPolarHBondContact O-CB 3.34Å; T136-S188 PolarHBondContact O-OG 2.94Å; W156-S188 PolarHBondContact NE1-OG 2.86Å; S188-L217 PolarHBondContact N-O 3.36Å; S188-L217 WeakPolarHBondContact O-CB 3.42Å; S188-L217 PolarHBondContact O-N 3.35Å
189E97.8Very high91.8Very high14 Ų1436.2 Ų36.27%0.06518%0.184CC..EExtended strand (participates in β ladder)trans-98.4145.4179.7-56.7165.2152.300109.7V135 T136 H191 N205 E213 W215 N216V135-E189 CarbonylContact C-O 3.54Å; V135-E189 WeakPolarHBondContact CA-O 3.31Å; T136-E189 PolarHBondContact N-O 3.38Å; T136-E189 VanDerWaalsContact OG1-CB 3.26Å; T136-E189 WeakPolarHBondContact OG1-CB 3.21Å; T136-E189 PolarHBondContact OG1-N 3.45Å; T136-E189 PolarHBondContact OG1-O 3.17Å; T136-E189 PolarHBondContact OG1-OE2 2.87Å; E189-H191 IonicContact OE2-CE1 2.8Å; E189-H191 PolarHBondContact OE2-CE1 3.37Å; E189-H191 IonicContact OE2-NE2 3.48Å; E189-N205 PolarHBondContact OE2-ND2 3.36Å; E189-N205 PolarHBondContact OE2-OD1 3.34Å; E189-E213 HydrophobicContact CB-CG 4.19Å; E189-W215 CarbonylContact C-O 3.59Å; E189-W215 WeakPolarHBondContact CA-O 3.28Å; E189-N216 HydrophobicContact CG-CB 4.49Å
190I98Very high92.8Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-111.5121.3176.2-50.8-179000108A118 L122 L133 Y134 V135 W156 I214 W215 L217A118-I190 HydrophobicContact CB-CD1 4.03Å; L122-I190 HydrophobicContact CD1-CD1 3.87Å; L122-I190 HydrophobicContact CD1-CG2 3.86Å; L133-I190 HydrophobicContact CD2-CG2 4.08Å; Y134-I190 WeakPolarHBondContact O-CA 3.32Å; V135-I190 HydrophobicContact CG1-CB 4.46Å; V135-I190 HydrophobicContact CG1-CG1 4.09Å; V135-I190 HydrophobicContact CG1-CG2 4.24Å; W156-I190 HydrophobicContact CH2-CD1 3.75Å; W156-I190 HydrophobicContact CH2-CG1 4.29Å; W156-I190 HydrophobicContact CZ2-CD1 4.11Å; W156-I190 HydrophobicContact CZ2-CG1 4.25Å; I190-I214 HydrophobicContact CB-CG1 4.38Å; I190-I214 HydrophobicContact CG2-CD1 4.31Å; I190-I214 HydrophobicContact CG2-CG1 4.23Å; I190-I214 VanDerWaalsContact O-CG1 3.29Å; I190-I214 WeakPolarHBondContact O-CG1 3.48Å; I190-I214 PolarHBondContact O-N 2.84Å; I190-W215 HydrophobicContact CB-CB 4.24Å; I190-W215 HydrophobicContact CD1-CB 4.23Å; I190-W215 HydrophobicContact CD1-CD2 4.49Å; I190-W215 HydrophobicContact CD1-CE3 4.11Å; I190-W215 HydrophobicContact CG1-CB 4.39Å; I190-W215 PolarHBondContact N-O 3.48Å; I190-W215 PolarHBondContact O-N 3.47Å; I190-L217 HydrophobicContact CD1-CD1 3.72Å; I190-L217 HydrophobicContact CG1-CD1 3.92Å
191H97.6Very high93.7Very high2 Ų228 Ų281%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-110147.9178.8-59.575.3000111.3L133 Y134 E189 N205 V211 L212L133-H191 WeakPolarHBondContact CA-O 3.34Å; Y134-H191 PolarHBondContact N-O 3.26Å; Y134-H191 PolarHBondContact O-N 3.01Å; E189-H191 IonicContact OE2-CE1 2.8Å; E189-H191 PolarHBondContact OE2-CE1 3.37Å; E189-H191 IonicContact OE2-NE2 3.48Å; H191-N205 PolarHBondContact CE1-OD1 3.01Å; H191-N205 VanDerWaalsContact CE1-OD1 3.3Å; H191-N205 PolarHBondContact NE2-OD1 3.43Å; H191-V211 HydrophobicContact CB-CG1 4.21Å; H191-L212 CarbonylContact C-O 3.59Å; H191-L212 WeakPolarHBondContact CA-O 3.41Å
192Y96.1Very high94.4Very high7 Ų732.3 Ų32.33%0.02716%0.162CC..EExtended strand (participates in β ladder)trans-121.7123.7176.8177.1-100.5000111M1 I128 R132 L133 R194 V211 L212 V250M1-Y192 HydrophobicContact CE-CE1 4.43Å; M1-Y192 HydrophobicContact CE-CE2 3.72Å; M1-Y192 WeakPolarHBondContact CE-OH 3.49Å; I128-Y192 HydrophobicContact CG2-CD2 3.7Å; I128-Y192 HydrophobicContact CG2-CE2 3.65Å; R132-Y192 HydrophobicContact CB-CD2 3.93Å; R132-Y192 HydrophobicContact CB-CE2 3.56Å; R132-Y192 WeakPolarHBondContact CD-OH 3.25Å; R132-Y192 HydrophobicContact CG-CE2 4.37Å; R132-Y192 WeakPolarHBondContact O-CA 3.35Å; L133-Y192 HydrophobicContact CD2-CD2 4Å; Y192-R194 HydrophobicContact CD1-CG 4.14Å; Y192-R194 HydrophobicContact CE1-CB 4.46Å; Y192-R194 HydrophobicContact CE1-CG 4.08Å; Y192-V211 WeakPolarHBondContact O-CA 3.34Å; Y192-L212 PolarHBondContact N-O 2.87Å; Y192-L212 PolarHBondContact O-N 2.9Å; Y192-V250 HydrophobicContact CD1-CB 4.25Å; Y192-V250 HydrophobicContact CD1-CG1 3.67Å; Y192-V250 HydrophobicContact CD1-CG2 3.52Å; Y192-V250 HydrophobicContact CD2-CG1 4.31Å; Y192-V250 HydrophobicContact CE1-CB 4.37Å; Y192-V250 HydrophobicContact CE1-CG1 3.59Å; Y192-V250 HydrophobicContact CE1-CG2 4.03Å; Y192-V250 HydrophobicContact CE2-CG1 4.25Å; Y192-V250 HydrophobicContact CG-CG1 4.03Å; Y192-V250 HydrophobicContact CG-CG2 4.18Å
193D95.9Very high94.9Very high1 Ų133.4 Ų33.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-83.8112171.3-179.823000111R132 Y134 M195 G196 R198 A200R132-D193 PolarHBondContact O-N 3.23Å; Y134-D193 HydrophobicContact CE2-CB 4.22Å; D193-M195 VanDerWaalsContact C-N 3.32Å; D193-M195 PolarHBondContact O-N 2.85Å; D193-M195 PolarHBondContact OD1-N 3.08Å; D193-M195 VanDerWaalsContact OD1-N 3.12Å; D193-G196 WeakPolarHBondContact OD2-CA 3.35Å; D193-G196 PolarHBondContact OD2-N 2.88Å; D193-R198 IonicContact OD1-CZ 3.51Å; D193-R198 IonicContact OD1-NE 3.34Å; D193-R198 PolarHBondContact OD1-NE 3Å; D193-R198 IonicContact OD1-NH2 2.82Å; D193-R198 PolarHBondContact OD1-NH2 3.44Å; D193-R198 WeakPolarHBondContact OD2-CG 3.45Å; D193-R198 IonicContact OD2-NE 3.11Å; D193-R198 PolarHBondContact OD2-NE 3.38Å; D193-R198 VanDerWaalsContact OD2-NE 3.11Å; D193-R198 IonicContact OD2-NH2 3.99Å; D193-A200 HydrophobicContact CB-CB 4.05Å
194R93Very high95Very high28 Ų2833.4 Ų33.411%0.10617%0.167CC..SBendtrans-65.8-34.9178.7-68.1-169.2175.9-75.4-0.3112.9R132 Y192 D210 L212 S249 K254R132-R194 PolarHBondContact NH1-O 3.14Å; Y192-R194 HydrophobicContact CD1-CG 4.14Å; Y192-R194 HydrophobicContact CE1-CB 4.46Å; Y192-R194 HydrophobicContact CE1-CG 4.08Å; R194-D210 HydrophobicContact CB-CB 4.38Å; R194-D210 WeakPolarHBondContact CB-O 3.32Å; R194-D210 PolarHBondContact N-O 2.74Å; R194-L212 HydrophobicContact CG-CD1 4.31Å; R194-S249 PolarHBondContact NH1-O 2.55Å; R194-S249 PolarHBondContact NH2-OG 2.98Å; R194-K254 PolarHBondContact NH1-O 3.38Å; R194-K254 PolarHBondContact NH2-O 3.09Å
195M92Very high95Very high106 Ų10635 Ų3552%0.52218%0.175SC..SBendtrans-70.7-51.6-178.7-62.4-60.6-69.700109.4R132 D193 D210R132-M195 PolarHBondContact NH1-O 3.41Å; R132-M195 PolarHBondContact NH2-O 2.93Å; R132-M195 VanDerWaalsContact NH2-O 3.13Å; D193-M195 VanDerWaalsContact C-N 3.32Å; D193-M195 PolarHBondContact O-N 2.85Å; D193-M195 PolarHBondContact OD1-N 3.08Å; D193-M195 VanDerWaalsContact OD1-N 3.12Å; M195-D210 HydrophobicContact CG-CB 4.17Å
196G90.6Very high94.8Very high9 Ų940.8 Ų40.89%0.09320%0.202CC..  trans65.4-173.6-171.900000112.2D193 R198D193-G196 WeakPolarHBondContact OD2-CA 3.35Å; D193-G196 PolarHBondContact OD2-N 2.88Å; G196-R198 PolarHBondContact O-N 3.08Å
197D90Very high94.1Very high156 Ų15647.1 Ų47.183%0.83424%0.235SC*.SBendtrans54.226.7179.5-54.5-44.5000113.8R132R132-D197 IonicContact NH2-OD2 3.85Å
198R92.9Very high93.7Very high98 Ų9849.1 Ų49.137%0.3725%0.246SC..SBendtrans-150.9160.7178.368.1-178.9179.5169.90110.9Y134 D193 G196Y134-R198 PolarHBondContact OH-O 3.16Å; D193-R198 IonicContact OD1-CZ 3.51Å; D193-R198 IonicContact OD1-NE 3.34Å; D193-R198 PolarHBondContact OD1-NE 3Å; D193-R198 IonicContact OD1-NH2 2.82Å; D193-R198 PolarHBondContact OD1-NH2 3.44Å; D193-R198 WeakPolarHBondContact OD2-CG 3.45Å; D193-R198 IonicContact OD2-NE 3.11Å; D193-R198 PolarHBondContact OD2-NE 3.38Å; D193-R198 VanDerWaalsContact OD2-NE 3.11Å; D193-R198 IonicContact OD2-NH2 3.99Å; G196-R198 PolarHBondContact O-N 3.08Å
199D93.2Very high93Very high93 Ų9351.6 Ų51.650%0.49726%0.262SS..  trans-81.2117163.7177.82.6000109.4A201 H202D199-A201 WeakPolarHBondContact OD1-CB 3.38Å; D199-A201 PolarHBondContact OD1-N 3.49Å; D199-H202 PolarHBondContact O-CE1 3.31Å
200A95.2Very high92.6Very high0 Ų051.8 Ų51.80%026%0.264CS..  trans-109.98.8-178.900000112.8Y134 D193 H202 L203 V204 V211Y134-A200 HydrophobicContact CE2-CB 3.87Å; Y134-A200 PolarHBondContact OH-N 3.07Å; D193-A200 HydrophobicContact CB-CB 4.05Å; A200-H202 PolarHBondContact O-N 3.32Å; A200-H202 VanDerWaalsContact O-N 3.15Å; A200-L203 HydrophobicContact CB-CD1 4.49Å; A200-L203 WeakPolarHBondContact O-CB 3.17Å; A200-L203 PolarHBondContact O-N 3.07Å; A200-V204 PolarHBondContact O-N 3.45Å; A200-V211 HydrophobicContact CB-CG2 4.13Å
201A95.2Very high92.4Very high19 Ų1952.2 Ų52.216%0.15727%0.266CS..G310 helixtrans-55.2-37.7-176.500000112.9Y134 L167 D199 L203 V204Y134-A201 HydrophobicContact CD1-CB 4.32Å; Y134-A201 HydrophobicContact CE1-CB 4.04Å; L167-A201 HydrophobicContact CD1-CB 3.92Å; L167-A201 HydrophobicContact CD2-CB 4.01Å; D199-A201 WeakPolarHBondContact OD1-CB 3.38Å; D199-A201 PolarHBondContact OD1-N 3.49Å; A201-L203 PolarHBondContact O-N 2.7Å; A201-V204 PolarHBondContact O-N 2.96Å
202H95.2Very high92.2Very high135 Ų13552.4 Ų52.463%0.62527%0.267SS*.G310 helixtrans-71.3-9.4178.269.9-79.6000114.7D199 A200 Q206D199-H202 PolarHBondContact O-CE1 3.31Å; A200-H202 PolarHBondContact O-N 3.32Å; A200-H202 VanDerWaalsContact O-N 3.15Å; H202-Q206 WeakPolarHBondContact O-CG 3.47Å
203L95.3Very high92.2Very high27 Ų2754.6 Ų54.614%0.14128%0.278CS..G310 helixtrans-102.4-12178.1-59.7175.7000112.4A200 A201 N205 Q206 D208 V211A200-L203 HydrophobicContact CB-CD1 4.49Å; A200-L203 WeakPolarHBondContact O-CB 3.17Å; A200-L203 PolarHBondContact O-N 3.07Å; A201-L203 PolarHBondContact O-N 2.7Å; L203-N205 PolarHBondContact O-N 2.81Å; L203-Q206 WeakPolarHBondContact O-CB 3.44Å; L203-Q206 PolarHBondContact O-N 3.13Å; L203-D208 HydrophobicContact CB-CB 4.34Å; L203-V211 HydrophobicContact CB-CB 4.34Å; L203-V211 HydrophobicContact CB-CG2 3.78Å; L203-V211 HydrophobicContact CD1-CG2 4.05Å
204V95.5Very high92.2Very high1 Ų154.6 Ų54.61%0.00628%0.278CS..THydrogen-bonded Turntrans-62.8131.8177176.10000109.6Y134 T136 L167 F169 A200 A201 Q206 V211Y134-V204 HydrophobicContact CD1-CG2 4.28Å; Y134-V204 HydrophobicContact CG-CG2 4.01Å; T136-V204 HydrophobicContact CG2-CG1 3.62Å; L167-V204 HydrophobicContact CD1-CB 3.78Å; L167-V204 HydrophobicContact CD1-CG1 4.09Å; L167-V204 HydrophobicContact CD1-CG2 3.74Å; F169-V204 HydrophobicContact CE2-CG1 3.9Å; F169-V204 HydrophobicContact CZ-CB 4.27Å; F169-V204 HydrophobicContact CZ-CG1 3.96Å; F169-V204 WeakPolarHBondContact CZ-O 3.43Å; A200-V204 PolarHBondContact O-N 3.45Å; A201-V204 PolarHBondContact O-N 2.96Å; V204-Q206 PolarHBondContact O-N 3.29Å; V204-V211 HydrophobicContact CG2-CG1 4.13Å
205N92.5Very high92.4Very high34 Ų3453.3 Ų53.318%0.18227%0.273CS..THydrogen-bonded Turntrans55.531-175.1-69.7-20.2000114.4F169 E173 E189 H191 L203F169-N205 HydrophobicContact CD1-CB 4.16Å; F169-N205 HydrophobicContact CE1-CB 3.71Å; F169-N205 HydrophobicContact CZ-CB 3.95Å; E173-N205 HydrophobicContact CG-CB 4.11Å; E189-N205 PolarHBondContact OE2-ND2 3.36Å; E189-N205 PolarHBondContact OE2-OD1 3.34Å; H191-N205 PolarHBondContact CE1-OD1 3.01Å; H191-N205 VanDerWaalsContact CE1-OD1 3.3Å; H191-N205 PolarHBondContact NE2-OD1 3.43Å; L203-N205 PolarHBondContact O-N 2.81Å
206Q91.5Very high92.7Very high122 Ų12249 Ų4957%0.5725%0.252SS*.THydrogen-bonded Turntrans-110.818.1173.5-58-54.8-61.100113.6H202 L203 V204 D208H202-Q206 WeakPolarHBondContact O-CG 3.47Å; L203-Q206 WeakPolarHBondContact O-CB 3.44Å; L203-Q206 PolarHBondContact O-N 3.13Å; V204-Q206 PolarHBondContact O-N 3.29Å; Q206-D208 PolarHBondContact O-N 3.01Å; Q206-D208 VanDerWaalsContact O-N 3.16Å
207D83.3Confident93.1Very high137 Ų13748.6 Ų48.673%0.73325%0.248SC*.THydrogen-bonded Turntrans56.526.4-178.4-56.8-41000114.5
208D88.1Confident93.4Very high42 Ų4241.2 Ų41.223%0.22521%0.209CC..  trans-73.4126176.6-171.8-69.2000110.7L203 Q206 D210 V211L203-D208 HydrophobicContact CB-CB 4.34Å; Q206-D208 PolarHBondContact O-N 3.01Å; Q206-D208 VanDerWaalsContact O-N 3.16Å; D208-D210 PolarHBondContact O-N 3.26Å; D208-D210 WeakPolarHBondContact OD1-CA 3.31Å; D208-D210 WeakPolarHBondContact OD1-CB 3.46Å; D208-D210 PolarHBondContact OD1-N 2.92Å; D208-V211 HydrophobicContact CB-CB 4.39Å; D208-V211 CarbonylContact O-C 3.51Å; D208-V211 PolarHBondContact O-N 2.94Å; D208-V211 VanDerWaalsContact O-N 3.12Å; D208-V211 PolarHBondContact OD1-N 2.94Å
209P84Confident93.7Very high52 Ų5236.6 Ų36.634%0.33819%0.191SC..THydrogen-bonded Turntrans-67.2-17.6-175.727.9-35.9000114.2Y93Y93-P209 HydrophobicContact CE1-CB 4.19Å
210D90.3Very high93.8Very high18 Ų1832.1 Ų32.110%0.09617%0.167CC..THydrogen-bonded Turntrans-95.3-6.7177.8-64.1-46.2000112.6R194 M195 D208 R255R194-D210 HydrophobicContact CB-CB 4.38Å; R194-D210 WeakPolarHBondContact CB-O 3.32Å; R194-D210 PolarHBondContact N-O 2.74Å; M195-D210 HydrophobicContact CG-CB 4.17Å; D208-D210 PolarHBondContact O-N 3.26Å; D208-D210 WeakPolarHBondContact OD1-CA 3.31Å; D208-D210 WeakPolarHBondContact OD1-CB 3.46Å; D208-D210 PolarHBondContact OD1-N 2.92Å; D210-R255 IonicContact OD1-CZ 3.47Å; D210-R255 IonicContact OD1-NE 2.81Å; D210-R255 PolarHBondContact OD1-NE 3.37Å; D210-R255 IonicContact OD1-NH2 3.29Å; D210-R255 PolarHBondContact OD1-NH2 2.94Å; D210-R255 IonicContact OD2-CZ 3.66Å; D210-R255 IonicContact OD2-NE 3.79Å; D210-R255 IonicContact OD2-NH2 2.75Å; D210-R255 PolarHBondContact OD2-NH2 3.11Å
211V93.9Very high93.8Very high9 Ų933.9 Ų33.96%0.05518%0.175CC..EExtended strand (participates in β ladder)trans-119.791.8173.8-175.20000109.9H191 Y192 A200 L203 V204 D208H191-V211 HydrophobicContact CB-CG1 4.21Å; Y192-V211 WeakPolarHBondContact O-CA 3.34Å; A200-V211 HydrophobicContact CB-CG2 4.13Å; L203-V211 HydrophobicContact CB-CB 4.34Å; L203-V211 HydrophobicContact CB-CG2 3.78Å; L203-V211 HydrophobicContact CD1-CG2 4.05Å; V204-V211 HydrophobicContact CG2-CG1 4.13Å; D208-V211 HydrophobicContact CB-CB 4.39Å; D208-V211 CarbonylContact O-C 3.51Å; D208-V211 PolarHBondContact O-N 2.94Å; D208-V211 VanDerWaalsContact O-N 3.12Å; D208-V211 PolarHBondContact OD1-N 2.94Å
212L93Very high93.8Very high6 Ų634.9 Ų34.93%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-100.3129.2-169.7-79145.1000112.5Y93 H191 Y192 R194 I214Y93-L212 HydrophobicContact CD1-CD2 4.28Å; Y93-L212 HydrophobicContact CD2-CD2 4.26Å; Y93-L212 HydrophobicContact CG-CD2 3.89Å; H191-L212 CarbonylContact C-O 3.59Å; H191-L212 WeakPolarHBondContact CA-O 3.41Å; Y192-L212 PolarHBondContact N-O 2.87Å; Y192-L212 PolarHBondContact O-N 2.9Å; R194-L212 HydrophobicContact CG-CD1 4.31Å; L212-I214 PolarHBondContact O-N 3.24Å
213E95.2Very high93.6Very high53 Ų5328.8 Ų28.825%0.24815%0.148CC..EExtended strand (participates in β ladder)trans-65.8116.6162-177.9-147.6164.300109.4E189 R246E189-E213 HydrophobicContact CB-CG 4.19Å; E213-R246 WeakPolarHBondContact O-CD 3.48Å; E213-R246 PolarHBondContact O-NH1 3.27Å; E213-R246 IonicContact OE2-NH1 3.26Å; E213-R246 PolarHBondContact OE2-NH1 3.44Å
214I96.4Very high93.3Very high2 Ų228.6 Ų28.61%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-104.4-26.6-178.756.9168.2000112.9L122 L133 I190 L212 M242 G243 V250L122-I214 HydrophobicContact CD1-CD1 4.12Å; L122-I214 HydrophobicContact CD2-CD1 3.98Å; L133-I214 HydrophobicContact CD2-CD1 4.17Å; I190-I214 HydrophobicContact CB-CG1 4.38Å; I190-I214 HydrophobicContact CG2-CD1 4.31Å; I190-I214 HydrophobicContact CG2-CG1 4.23Å; I190-I214 VanDerWaalsContact O-CG1 3.29Å; I190-I214 WeakPolarHBondContact O-CG1 3.48Å; I190-I214 PolarHBondContact O-N 2.84Å; L212-I214 PolarHBondContact O-N 3.24Å; I214-M242 WeakPolarHBondContact O-CA 3.31Å; I214-M242 VanDerWaalsContact O-CG 3.27Å; I214-M242 WeakPolarHBondContact O-CG 3.4Å; I214-G243 PolarHBondContact O-N 2.77Å; I214-V250 HydrophobicContact CG2-CG2 4.15Å
215W97.7Very high92.7Very high1 Ų130.3 Ų30.30%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-151.9133.2-175.6-159.1-4.8000111.8F18 A118 L121 L122 E189 I190 L217 T240 M242F18-W215 HydrophobicContact CE2-CH2 4.31Å; F18-W215 HydrophobicContact CE2-CZ2 4.4Å; F18-W215 HydrophobicContact CZ-CH2 4.02Å; F18-W215 HydrophobicContact CZ-CZ2 4.09Å; A118-W215 HydrophobicContact CB-CD2 4.39Å; A118-W215 HydrophobicContact CB-CE3 3.76Å; A118-W215 HydrophobicContact CB-CH2 3.75Å; A118-W215 HydrophobicContact CB-CZ2 4.35Å; A118-W215 HydrophobicContact CB-CZ3 3.43Å; A118-W215 VanDerWaalsContact CB-CZ3 3.43Å; L121-W215 HydrophobicContact CB-CZ3 4.4Å; L121-W215 HydrophobicContact CD2-CH2 3.78Å; L121-W215 HydrophobicContact CD2-CZ3 4.01Å; L122-W215 HydrophobicContact CD1-CE3 4.05Å; L122-W215 HydrophobicContact CD1-CZ3 4.48Å; L122-W215 HydrophobicContact CD2-CE3 4.23Å; L122-W215 HydrophobicContact CD2-CZ3 4.41Å; L122-W215 HydrophobicContact CG-CE3 4.1Å; L122-W215 HydrophobicContact CG-CZ3 4.13Å; E189-W215 CarbonylContact C-O 3.59Å; E189-W215 WeakPolarHBondContact CA-O 3.28Å; I190-W215 HydrophobicContact CB-CB 4.24Å; I190-W215 HydrophobicContact CD1-CB 4.23Å; I190-W215 HydrophobicContact CD1-CD2 4.49Å; I190-W215 HydrophobicContact CD1-CE3 4.11Å; I190-W215 HydrophobicContact CG1-CB 4.39Å; I190-W215 PolarHBondContact N-O 3.48Å; I190-W215 PolarHBondContact O-N 3.47Å; W215-L217 HydrophobicContact CB-CD1 4.41Å; W215-L217 HydrophobicContact CD2-CD1 4.24Å; W215-L217 HydrophobicContact CG-CD1 3.98Å; W215-T240 VanDerWaalsContact NE1-CB 3.32Å; W215-T240 PolarHBondContact NE1-OG1 2.94Å; W215-M242 HydrophobicContact CB-CB 4.31Å; W215-M242 HydrophobicContact CB-CE 4.48Å; W215-M242 HydrophobicContact CB-CG 4.45Å; W215-M242 HydrophobicContact CD2-CB 4.21Å; W215-M242 HydrophobicContact CD2-CE 3.3Å; W215-M242 HydrophobicContact CE3-CE 3.12Å; W215-M242 HydrophobicContact CG-CB 3.82Å; W215-M242 HydrophobicContact CG-CE 3.95Å; W215-M242 HydrophobicContact CG-CG 4.32Å; W215-M242 HydrophobicContact CH2-CE 3.7Å; W215-M242 HydrophobicContact CZ2-CE 3.87Å; W215-M242 HydrophobicContact CZ3-CE 3.31Å
216N97.7Very high91.9Very high14 Ų1437.5 Ų37.58%0.07519%0.186CC..EExtended strand (participates in β ladder)trans-113.8129.1172.8-162.7-22.9000110.9C187 E189 T240 G241C187-N216 WeakPolarHBondContact CB-OD1 3.37Å; C187-N216 PolarHBondContact SG-OD1 2.95Å; E189-N216 HydrophobicContact CG-CB 4.49Å; N216-T240 WeakPolarHBondContact O-CA 3.49Å; N216-G241 PolarHBondContact N-O 3.13Å; N216-G241 PolarHBondContact O-N 2.81Å
217L98.4Very high91.1Very high1 Ų135.8 Ų35.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-110.2101.2179.7-68.768.9000108.4A114 A118 W156 C187 S188 I190 W215 F219 T240A114-L217 HydrophobicContact CB-CD2 4.4Å; A118-L217 HydrophobicContact CB-CD2 4Å; W156-L217 HydrophobicContact CH2-CD2 4.5Å; W156-L217 HydrophobicContact CZ2-CD2 4.03Å; C187-L217 CarbonylContact C-O 3.39Å; C187-L217 WeakPolarHBondContact CA-O 3.44Å; C187-L217 VanDerWaalsContact CB-O 3.29Å; C187-L217 WeakPolarHBondContact CB-O 3.46Å; S188-L217 PolarHBondContact N-O 3.36Å; S188-L217 WeakPolarHBondContact O-CB 3.42Å; S188-L217 PolarHBondContact O-N 3.35Å; I190-L217 HydrophobicContact CD1-CD1 3.72Å; I190-L217 HydrophobicContact CG1-CD1 3.92Å; W215-L217 HydrophobicContact CB-CD1 4.41Å; W215-L217 HydrophobicContact CD2-CD1 4.24Å; W215-L217 HydrophobicContact CG-CD1 3.98Å; L217-F219 HydrophobicContact CB-CE1 4.14Å; L217-F219 HydrophobicContact CB-CZ 4.34Å; L217-T240 HydrophobicContact CG-CG2 4.44Å
218V97.9Very high91.1Very high2 Ų230.7 Ų30.71%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-95.2125.1-176.7-173.50000110.8W176 C187 I220 D239W176-V218 HydrophobicContact CB-CB 4.37Å; W176-V218 HydrophobicContact CB-CG1 3.75Å; W176-V218 HydrophobicContact CB-CG2 3.66Å; W176-V218 HydrophobicContact CD2-CG1 4.38Å; W176-V218 HydrophobicContact CD2-CG2 4.04Å; W176-V218 HydrophobicContact CE3-CG1 4.2Å; W176-V218 HydrophobicContact CG-CG1 4.24Å; W176-V218 HydrophobicContact CG-CG2 3.61Å; C187-V218 HydrophobicContact CB-CB 4.24Å; C187-V218 HydrophobicContact CB-CG1 4.44Å; C187-V218 HydrophobicContact CB-CG2 3.9Å; V218-I220 HydrophobicContact CG1-CG1 3.84Å; V218-I220 PolarHBondContact O-N 3.02Å; V218-D239 WeakPolarHBondContact CA-O 3.23Å; V218-D239 HydrophobicContact CB-CB 4.18Å; V218-D239 WeakPolarHBondContact CB-O 2.89Å; V218-D239 PolarHBondContact N-O 3.08Å; V218-D239 PolarHBondContact O-N 3.16Å
219F97.5Very high90.9Very high0 Ų031.6 Ų31.60%019%0.191CC..EExtended strand (participates in β ladder)trans-95.873.4-179.4-48.4-47.5000109.8F110 K111 D149 A152 P186 L217 Q221 I238F110-F219 HydrophobicContact CE2-CB 3.85Å; F110-F219 HydrophobicContact CZ-CB 3.68Å; F110-F219 HydrophobicContact CZ-CG 4.47Å; K111-F219 HydrophobicContact CB-CD1 4.46Å; K111-F219 HydrophobicContact CB-CE1 4.2Å; K111-F219 HydrophobicContact CD-CD2 4.24Å; K111-F219 HydrophobicContact CD-CE2 4.39Å; K111-F219 HydrophobicContact CD-CG 4.29Å; K111-F219 HydrophobicContact CG-CB 4.44Å; K111-F219 HydrophobicContact CG-CD1 3.48Å; K111-F219 VanDerWaalsContact CG-CD1 3.48Å; K111-F219 HydrophobicContact CG-CD2 4Å; K111-F219 HydrophobicContact CG-CE1 3.58Å; K111-F219 HydrophobicContact CG-CE2 4.08Å; K111-F219 HydrophobicContact CG-CG 3.7Å; K111-F219 HydrophobicContact CG-CZ 3.87Å; D149-F219 WeakPolarHBondContact OD2-CD2 3.11Å; A152-F219 HydrophobicContact CB-CE2 3.81Å; A152-F219 HydrophobicContact CB-CZ 4.25Å; P186-F219 HydrophobicContact CG-CB 4.3Å; P186-F219 HydrophobicContact CG-CD2 4.42Å; P186-F219 WeakPolarHBondContact O-CB 3.42Å; P186-F219 WeakPolarHBondContact O-CD2 3.49Å; P186-F219 PolarHBondContact O-N 2.96Å; L217-F219 HydrophobicContact CB-CE1 4.14Å; L217-F219 HydrophobicContact CB-CZ 4.34Å; F219-Q221 PolarHBondContact O-N 3.31Å; F219-Q221 VanDerWaalsContact O-N 3.11Å; F219-I238 HydrophobicContact CD1-CD1 3.7Å; F219-I238 HydrophobicContact CE1-CD1 4.3Å
220I96Very high91.2Very high0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans-61.2114.9-175.9-65.8179.2000110.1M46 F53 P183 V218 L233 H237 D239M46-I220 HydrophobicContact CE-CD1 3.54Å; F53-I220 HydrophobicContact CD1-CD1 4.28Å; F53-I220 HydrophobicContact CD1-CG2 4.43Å; F53-I220 HydrophobicContact CD2-CD1 4.27Å; F53-I220 HydrophobicContact CE1-CD1 4.04Å; F53-I220 HydrophobicContact CE2-CD1 4.06Å; F53-I220 HydrophobicContact CG-CD1 4.4Å; F53-I220 HydrophobicContact CZ-CD1 3.93Å; P183-I220 HydrophobicContact CB-CG2 3.92Å; V218-I220 HydrophobicContact CG1-CG1 3.84Å; V218-I220 PolarHBondContact O-N 3.02Å; I220-L233 HydrophobicContact CG2-CD1 3.42Å; I220-L233 VanDerWaalsContact CG2-CD1 3.42Å; I220-H237 HydrophobicContact CB-CB 3.97Å; I220-H237 HydrophobicContact CG2-CB 4.12Å; I220-H237 PolarHBondContact N-O 3.28Å; I220-H237 VanDerWaalsContact N-O 3.13Å; I220-H237 PolarHBondContact O-N 3.48Å; I220-D239 HydrophobicContact CD1-CB 3.42Å; I220-D239 VanDerWaalsContact CD1-CB 3.42Å; I220-D239 HydrophobicContact CG1-CB 4.04Å
221Q95.1Very high91.2Very high36 Ų3633.8 Ų33.817%0.16820%0.196CC..EExtended strand (participates in β ladder)trans-146.9-3.8-178.766-175.6-13.200113.6C184 P186 F219 P232 L233 K236C184-Q221 PolarHBondContact O-N 3.28Å; P186-Q221 VanDerWaalsContact CD-NE2 3.28Å; P186-Q221 VanDerWaalsContact CG-NE2 3.33Å; F219-Q221 PolarHBondContact O-N 3.31Å; F219-Q221 VanDerWaalsContact O-N 3.11Å; Q221-P232 WeakPolarHBondContact O-CA 3.46Å; Q221-L233 PolarHBondContact O-N 3.48Å; Q221-K236 HydrophobicContact CB-CG 4.2Å
222F94.8Very high91.1Very high40 Ų4037.8 Ų37.818%0.17522%0.222CC..EExtended strand (participates in β ladder)trans-127.1155.9177.7-58.4-68.1000111.1L146 F175 P183 C184 L230 K231 P232 L233L146-F222 HydrophobicContact CD2-CE2 3.93Å; L146-F222 HydrophobicContact CD2-CZ 4.01Å; F175-F222 HydrophobicContact CE2-CD2 4.34Å; F175-F222 HydrophobicContact CZ-CD2 4.3Å; P183-F222 CarbonylContact C-O 3.53Å; P183-F222 WeakPolarHBondContact CA-O 3.39Å; C184-F222 PolarHBondContact N-O 3.03Å; C184-F222 PolarHBondContact O-N 3.37Å; C184-F222 VanDerWaalsContact O-O 3.07Å; F222-L230 HydrophobicContact CB-CD2 4.25Å; F222-K231 CarbonylContact C-O 3.45Å; F222-K231 VanDerWaalsContact CA-O 3.27Å; F222-K231 WeakPolarHBondContact CA-O 3.32Å; F222-P232 HydrophobicContact CE1-CG 4.43Å; F222-L233 WeakPolarHBondContact O-CD1 3.46Å
223N90.8Very high91.1Very high7 Ų738.3 Ų38.34%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-115.3127.5164.2-167.768.6000107.8Q54 G182 P183 E225 K231 L233Q54-N223 PolarHBondContact NE2-OD1 2.96Å; G182-N223 VanDerWaalsContact CA-OD1 3.31Å; G182-N223 WeakPolarHBondContact CA-OD1 3.38Å; P183-N223 WeakPolarHBondContact CD-OD1 3.12Å; N223-E225 PolarHBondContact ND2-OE1 3.15Å; N223-K231 PolarHBondContact N-O 3.4Å; N223-K231 PolarHBondContact O-N 3.42Å; N223-L233 HydrophobicContact CB-CD2 3.76Å; N223-L233 HydrophobicContact CB-CG 4.28Å
224R89Confident90.6Very high23 Ų2340 Ų409%0.08724%0.241CC..EExtended strand (participates in β ladder)trans-84.2122.5170-169.6174.1-63.1-84.911.3109.5E177 E180 T181 G182 G228 L230E177-R224 WeakPolarHBondContact OE1-CD 3.48Å; E177-R224 IonicContact OE1-CZ 2.8Å; E177-R224 IonicContact OE1-NE 3.44Å; E177-R224 PolarHBondContact OE1-NE 2.93Å; E177-R224 IonicContact OE1-NH2 2.8Å; E177-R224 PolarHBondContact OE1-NH2 3.43Å; E177-R224 IonicContact OE2-CZ 2.69Å; E177-R224 IonicContact OE2-NE 3.67Å; E177-R224 IonicContact OE2-NH2 2.64Å; E177-R224 PolarHBondContact OE2-NH2 3.37Å; E180-R224 VanDerWaalsContact O-CD 3.25Å; E180-R224 WeakPolarHBondContact O-CD 3.45Å; T181-R224 CarbonylContact C-O 3.52Å; T181-R224 VanDerWaalsContact CA-O 3.3Å; T181-R224 WeakPolarHBondContact CA-O 3.4Å; T181-R224 WeakPolarHBondContact CB-O 3.27Å; G182-R224 PolarHBondContact N-O 3.34Å; G182-R224 PolarHBondContact O-N 2.78Å; R224-G228 PolarHBondContact NH1-O 3.02Å; R224-L230 HydrophobicContact CB-CD2 3.94Å; R224-L230 HydrophobicContact CG-CD2 4.26Å
225E84.2Confident90.4Very high37 Ų3741.8 Ų41.817%0.17326%0.255CS..PPolyproline II helixtrans-88.9165.3177.7-57.1-78.6118.900111.1N223 G227 G228 S229 K231 H472N223-E225 PolarHBondContact ND2-OE1 3.15Å; E225-G227 PolarHBondContact O-N 2.98Å; E225-G228 PolarHBondContact O-N 3.36Å; E225-S229 PolarHBondContact N-O 3.16Å; E225-K231 HydrophobicContact CG-CD 3.78Å; E225-K231 HydrophobicContact CG-CG 4.15Å; E225-K231 IonicContact OE2-NZ 2.82Å; E225-K231 PolarHBondContact OE2-NZ 3.34Å; E225-H472 IonicContact OE1-NE2 2.61Å
226E74.9Confident90.2Very high185 Ų18546.8 Ų46.886%0.86428%0.277SS*.THydrogen-bonded Turntrans-58.4129.8170.4-158.2172.4-168.800110T181T181-E226 HydrophobicContact CG2-CB 4.41Å
227G75.6Confident90.2Very high87 Ų8746.6 Ų46.690%0.89728%0.276SS*.THydrogen-bonded Turntrans92-1.4-17000000115E225E225-G227 PolarHBondContact O-N 2.98Å
228G81.6Confident90.2Very high30 Ų3046.5 Ų46.531%0.30928%0.275SS..SBendtrans91.2-1.716700000115.7R224 E225R224-G228 PolarHBondContact NH1-O 3.02Å; E225-G228 PolarHBondContact O-N 3.36Å
229S85.7Confident90.2Very high61 Ų6146.6 Ų46.643%0.42728%0.276SS..  trans-68.3139.417767.10000111.9E225E225-S229 PolarHBondContact N-O 3.16Å
230L90.3Very high90.2Very high42 Ų4246.7 Ų46.722%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-95.8130.8175.3-67172.7000110.7L146 F175 C184 F222 R224L146-L230 HydrophobicContact CD1-CD1 3.82Å; L146-L230 HydrophobicContact CD2-CD1 4.15Å; L146-L230 HydrophobicContact CG-CD1 4.35Å; F175-L230 HydrophobicContact CE1-CD1 4.44Å; F175-L230 HydrophobicContact CE1-CD2 4.5Å; F175-L230 HydrophobicContact CZ-CD1 3.82Å; F175-L230 HydrophobicContact CZ-CD2 4.27Å; C184-L230 VanDerWaalsContact SG-CD2 3.52Å; F222-L230 HydrophobicContact CB-CD2 4.25Å; R224-L230 HydrophobicContact CB-CD2 3.94Å; R224-L230 HydrophobicContact CG-CD2 4.26Å
231K89.6Confident90.2Very high74 Ų7447.3 Ų47.332%0.32228%0.283SS..EExtended strand (participates in β ladder)trans-123.3138.9174.1-67.1-179-176.1164.70110.8F222 N223 E225 H472F222-K231 CarbonylContact C-O 3.45Å; F222-K231 VanDerWaalsContact CA-O 3.27Å; F222-K231 WeakPolarHBondContact CA-O 3.32Å; N223-K231 PolarHBondContact N-O 3.4Å; N223-K231 PolarHBondContact O-N 3.42Å; E225-K231 HydrophobicContact CG-CD 3.78Å; E225-K231 HydrophobicContact CG-CG 4.15Å; E225-K231 IonicContact OE2-NZ 2.82Å; E225-K231 PolarHBondContact OE2-NZ 3.34Å; K231-H472 WeakPolarHBondContact CB-NE2 3.39Å; K231-H472 WeakPolarHBondContact CD-NE2 3.39Å
232P91.8Very high90.4Very high92 Ų9245.6 Ų45.660%0.59728%0.275SS*.EExtended strand (participates in β ladder)trans-59.2138.7175.6-24.134.1000112.3Q221 F222Q221-P232 WeakPolarHBondContact O-CA 3.46Å; F222-P232 HydrophobicContact CE1-CG 4.43Å
233L92.1Very high90.4Very high17 Ų1744.4 Ų44.49%0.08927%0.274CS..EExtended strand (participates in β ladder)trans-75.7157171.8-76170.1000111.4F53 P183 I220 Q221 F222 N223 A235F53-L233 WeakPolarHBondContact O-CD2 3.49Å; P183-L233 HydrophobicContact CB-CD1 4.22Å; I220-L233 HydrophobicContact CG2-CD1 3.42Å; I220-L233 VanDerWaalsContact CG2-CD1 3.42Å; Q221-L233 PolarHBondContact O-N 3.48Å; F222-L233 WeakPolarHBondContact O-CD1 3.46Å; N223-L233 HydrophobicContact CB-CD2 3.76Å; N223-L233 HydrophobicContact CB-CG 4.28Å; L233-A235 WeakPolarHBondContact CB-O 3.47Å; L233-A235 PolarHBondContact O-N 2.98Å
234P85.6Confident90.8Very high90 Ų9044 Ų4458%0.58427%0.272SS*.EExtended strand (participates in β ladder)trans-61.7-26.7179.1-23.434.2000114.4A475P234-A475 HydrophobicContact CG-CB 4.25Å
235A91.2Very high91.1Very high38 Ų3843 Ų4331%0.31427%0.268SS..EExtended strand (participates in β ladder)trans-137.9161.4175.400000109.9L233 H237L233-A235 WeakPolarHBondContact CB-O 3.47Å; L233-A235 PolarHBondContact O-N 2.98Å; A235-H237 PolarHBondContact O-CD2 3.46Å; A235-H237 PolarHBondContact O-NE2 3.47Å
236K95.3Very high91.6Very high107 Ų10743.2 Ų43.247%0.46527%0.267SS..EExtended strand (participates in β ladder)trans-90.4140.4170.2-66.6-177.1175.9-173.80109.3G107 F110 Q221G107-K236 WeakPolarHBondContact CA-O 3.48Å; G107-K236 PolarHBondContact N-O 3.32Å; F110-K236 HydrophobicContact CD1-CD 4.12Å; F110-K236 HydrophobicContact CD2-CB 3.85Å; F110-K236 HydrophobicContact CE1-CD 3.75Å; F110-K236 HydrophobicContact CE2-CB 3.76Å; F110-K236 HydrophobicContact CE2-CD 4.26Å; F110-K236 HydrophobicContact CE2-CG 4.4Å; F110-K236 HydrophobicContact CG-CB 4.38Å; F110-K236 HydrophobicContact CZ-CB 4.18Å; F110-K236 HydrophobicContact CZ-CD 3.82Å; F110-K236 HydrophobicContact CZ-CG 4.33Å; Q221-K236 HydrophobicContact CB-CG 4.2Å
237H97.2Very high92.6Very high9 Ų934.4 Ų34.44%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-131.4159.3-173.5-56.3-80.9000110.4F53 S105 F106 G107 F110 I220 A235F53-H237 HydrophobicContact CD1-CB 3.63Å; F53-H237 AromaticContact CD1-CD2 3.92Å; F53-H237 AromaticContact CD1-CG 3.55Å; F53-H237 AromaticContact CD1-ND1 3.86Å; F53-H237 HydrophobicContact CE1-CB 3.7Å; S105-H237 VanDerWaalsContact O-CA 3.3Å; S105-H237 WeakPolarHBondContact O-CA 3.31Å; S105-H237 WeakPolarHBondContact O-CB 3.45Å; F106-H237 WeakPolarHBondContact CA-ND1 3.43Å; G107-H237 PolarHBondContact N-ND1 3.13Å; F110-H237 WeakPolarHBondContact CE2-O 3.32Å; I220-H237 HydrophobicContact CB-CB 3.97Å; I220-H237 HydrophobicContact CG2-CB 4.12Å; I220-H237 PolarHBondContact N-O 3.28Å; I220-H237 VanDerWaalsContact N-O 3.13Å; I220-H237 PolarHBondContact O-N 3.48Å; A235-H237 PolarHBondContact O-CD2 3.46Å; A235-H237 PolarHBondContact O-NE2 3.47Å
238I98.1Very high93.6Very high0 Ų030.3 Ų30.30%018%0.183CC..EExtended strand (participates in β ladder)trans-114.3132.8170-63.4-64.9000108.3W104 S105 Y109 F110 A114 F219 T240W104-I238 VanDerWaalsContact CA-O 3.26Å; W104-I238 WeakPolarHBondContact CA-O 3.15Å; S105-I238 PolarHBondContact N-O 2.67Å; S105-I238 PolarHBondContact O-N 3Å; S105-I238 VanDerWaalsContact O-N 3.09Å; Y109-I238 HydrophobicContact CD2-CG1 4.1Å; Y109-I238 HydrophobicContact CE2-CB 4.06Å; Y109-I238 HydrophobicContact CE2-CG1 3.84Å; Y109-I238 HydrophobicContact CE2-CG2 4.11Å; F110-I238 HydrophobicContact CD2-CD1 3.58Å; F110-I238 HydrophobicContact CD2-CG1 4.12Å; F110-I238 HydrophobicContact CE2-CD1 4.05Å; F110-I238 HydrophobicContact CG-CD1 4.3Å; A114-I238 HydrophobicContact CB-CD1 4.01Å; A114-I238 HydrophobicContact CB-CG1 4.27Å; A114-I238 HydrophobicContact CB-CG2 4.08Å; F219-I238 HydrophobicContact CD1-CD1 3.7Å; F219-I238 HydrophobicContact CE1-CD1 4.3Å; I238-T240 HydrophobicContact CG2-CG2 3.64Å
239D97.4Very high94.3Very high4 Ų428.9 Ų28.92%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-125.1124.8166.416738.2000107.8M46 W104 V218 I220M46-D239 HydrophobicContact CB-CB 4.28Å; M46-D239 VanDerWaalsContact CB-CG 3.47Å; M46-D239 WeakPolarHBondContact CB-OD1 3.46Å; M46-D239 WeakPolarHBondContact CB-OD2 3.06Å; M46-D239 WeakPolarHBondContact CG-OD2 3.37Å; W104-D239 PolarHBondContact NE1-OD1 3.13Å; V218-D239 WeakPolarHBondContact CA-O 3.23Å; V218-D239 HydrophobicContact CB-CB 4.18Å; V218-D239 WeakPolarHBondContact CB-O 2.89Å; V218-D239 PolarHBondContact N-O 3.08Å; V218-D239 PolarHBondContact O-N 3.16Å; I220-D239 HydrophobicContact CD1-CB 3.42Å; I220-D239 VanDerWaalsContact CD1-CB 3.42Å; I220-D239 HydrophobicContact CG1-CB 4.04Å
240T97.9Very high94.7Very high1 Ų126 Ų261%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-119.4143.1173.580.40000110.2G102 N103 W215 N216 L217 I238G102-T240 WeakPolarHBondContact CA-O 3.13Å; N103-T240 VanDerWaalsContact CG-OG1 3.27Å; N103-T240 PolarHBondContact N-OG1 3.04Å; N103-T240 PolarHBondContact O-N 3.12Å; N103-T240 PolarHBondContact O-OG1 3.02Å; N103-T240 WeakPolarHBondContact OD1-CG2 3.32Å; N103-T240 PolarHBondContact OD1-OG1 2.86Å; W215-T240 VanDerWaalsContact NE1-CB 3.32Å; W215-T240 PolarHBondContact NE1-OG1 2.94Å; N216-T240 WeakPolarHBondContact O-CA 3.49Å; L217-T240 HydrophobicContact CG-CG2 4.44Å; I238-T240 HydrophobicContact CG2-CG2 3.64Å
241G97Very high94.9Very high13 Ų1324.1 Ų24.113%0.13414%0.139CC..EExtended strand (participates in β ladder)trans-134.8104.3177.200000111.1N216N216-G241 PolarHBondContact N-O 3.13Å; N216-G241 PolarHBondContact O-N 2.81Å
242M97.9Very high95.2Very high0 Ų022 Ų220%013%0.13CC..EExtended strand (participates in β ladder)trans-101.2126173.4178.1-170.2-6600109.5F14 L101 L121 L122 W126 I214 W215 F244 V247F14-M242 HydrophobicContact CE2-CE 4.47Å; L101-M242 HydrophobicContact CB-CB 4.14Å; L101-M242 HydrophobicContact CD1-SD 4.12Å; L101-M242 PolarHBondContact N-O 3.17Å; L101-M242 PolarHBondContact O-N 2.86Å; L121-M242 HydrophobicContact CD2-CE 4.15Å; L122-M242 HydrophobicContact CD2-CE 4.25Å; W126-M242 HydrophobicContact CH2-CE 3.99Å; W126-M242 HydrophobicContact CH2-SD 3.58Å; W126-M242 VanDerWaalsContact CH2-SD 3.58Å; W126-M242 HydrophobicContact CZ3-CE 3.73Å; W126-M242 HydrophobicContact CZ3-SD 3.6Å; I214-M242 WeakPolarHBondContact O-CA 3.31Å; I214-M242 VanDerWaalsContact O-CG 3.27Å; I214-M242 WeakPolarHBondContact O-CG 3.4Å; W215-M242 HydrophobicContact CB-CB 4.31Å; W215-M242 HydrophobicContact CB-CE 4.48Å; W215-M242 HydrophobicContact CB-CG 4.45Å; W215-M242 HydrophobicContact CD2-CB 4.21Å; W215-M242 HydrophobicContact CD2-CE 3.3Å; W215-M242 HydrophobicContact CE3-CE 3.12Å; W215-M242 HydrophobicContact CG-CB 3.82Å; W215-M242 HydrophobicContact CG-CE 3.95Å; W215-M242 HydrophobicContact CG-CG 4.32Å; W215-M242 HydrophobicContact CH2-CE 3.7Å; W215-M242 HydrophobicContact CZ2-CE 3.87Å; W215-M242 HydrophobicContact CZ3-CE 3.31Å; M242-F244 PolarHBondContact O-N 2.99Å; M242-F244 VanDerWaalsContact O-N 3.14Å; M242-V247 HydrophobicContact CG-CB 4.38Å; M242-V247 HydrophobicContact CG-CG1 4.1Å; M242-V247 HydrophobicContact SD-CB 4.23Å; M242-V247 HydrophobicContact SD-CG1 3.77Å; M242-V247 HydrophobicContact SD-CG2 4.33Å
243G96.1Very high95.2Very high15 Ų1522.6 Ų22.616%0.15513%0.128CC..EExtended strand (participates in β ladder)trans-73.1104.3175.900000110.2I214 E245 R246 V247I214-G243 PolarHBondContact O-N 2.77Å; G243-E245 VanDerWaalsContact C-N 3.34Å; G243-E245 PolarHBondContact O-N 3.44Å; G243-R246 WeakPolarHBondContact O-CB 3.47Å; G243-R246 PolarHBondContact O-N 3.3Å; G243-V247 PolarHBondContact O-N 2.85Å
244F97.4Very high95.2Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-55.9-47.3-175.5177.7-121.2000112.4A7 L10 R11 E99 L101 M242 R246 V247 L248 L262A7-F244 HydrophobicContact CB-CE1 4.19Å; A7-F244 HydrophobicContact CB-CZ 3.81Å; A7-F244 VanDerWaalsContact O-CZ 3.28Å; A7-F244 WeakPolarHBondContact O-CZ 3.28Å; L10-F244 HydrophobicContact CB-CE2 4.18Å; L10-F244 HydrophobicContact CD2-CD2 3.86Å; L10-F244 HydrophobicContact CD2-CE2 3.54Å; L10-F244 HydrophobicContact CD2-CZ 4.47Å; L10-F244 HydrophobicContact CG-CD2 4.39Å; L10-F244 HydrophobicContact CG-CE2 3.87Å; R11-F244 HydrophobicContact CB-CE2 4.06Å; R11-F244 HydrophobicContact CB-CZ 4.3Å; E99-F244 HydrophobicContact CB-CB 3.61Å; E99-F244 HydrophobicContact CB-CD1 3.87Å; E99-F244 HydrophobicContact CB-CG 4.04Å; E99-F244 HydrophobicContact CG-CD1 4.33Å; E99-F244 VanDerWaalsContact O-CB 3.23Å; E99-F244 WeakPolarHBondContact O-CB 3.31Å; E99-F244 PolarHBondContact O-N 2.79Å; L101-F244 HydrophobicContact CD1-CB 4.47Å; L101-F244 HydrophobicContact CD1-CD2 3.7Å; L101-F244 HydrophobicContact CD1-CE2 4.48Å; L101-F244 HydrophobicContact CD2-CD2 4.35Å; L101-F244 HydrophobicContact CG-CB 4.1Å; L101-F244 HydrophobicContact CG-CD2 4.05Å; L101-F244 HydrophobicContact CG-CG 4.44Å; M242-F244 PolarHBondContact O-N 2.99Å; M242-F244 VanDerWaalsContact O-N 3.14Å; F244-R246 VanDerWaalsContact C-N 3.28Å; F244-R246 PolarHBondContact O-N 3.46Å; F244-V247 WeakPolarHBondContact O-CG1 3.2Å; F244-V247 PolarHBondContact O-N 2.83Å; F244-L248 VanDerWaalsContact O-CB 3.22Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 PolarHBondContact O-N 3.49Å; F244-L262 HydrophobicContact CD1-CD1 3.99Å; F244-L262 HydrophobicContact CE1-CD1 3.72Å; F244-L262 HydrophobicContact CE1-CD2 4.13Å; F244-L262 HydrophobicContact CE1-CG 4.44Å
245E96.4Very high95.5Very high2 Ų229 Ų291%0.00914%0.142CC..Hα-helixtrans-60.3-38.2178-73.278.2179.400112.2F98 E99 G243 S249 N257 L262 F263 R303F98-E245 WeakPolarHBondContact CB-OE2 3.36Å; E99-E245 PolarHBondContact N-OE1 3.25Å; E99-E245 PolarHBondContact N-OE2 3.29Å; E99-E245 VanDerWaalsContact N-OE2 3.13Å; G243-E245 VanDerWaalsContact C-N 3.34Å; G243-E245 PolarHBondContact O-N 3.44Å; E245-S249 PolarHBondContact O-N 3.39Å; E245-S249 VanDerWaalsContact O-N 3.16Å; E245-S249 PolarHBondContact O-OG 2.91Å; E245-N257 HydrophobicContact CB-CB 4.25Å; E245-N257 PolarHBondContact O-OD1 3.5Å; E245-L262 HydrophobicContact CG-CD1 3.95Å; E245-F263 HydrophobicContact CG-CE2 4.35Å; E245-R303 IonicContact OE1-CZ 2.9Å; E245-R303 IonicContact OE1-NH1 3.43Å; E245-R303 PolarHBondContact OE1-NH1 2.95Å; E245-R303 IonicContact OE1-NH2 3.58Å; E245-R303 PolarHBondContact OE1-NH2 3.43Å
246R95.5Very high95.5Very high41 Ų4127.4 Ų27.416%0.15513%0.129CC..Hα-helixtrans-70.3-48.8-179.5-66-173178.4179.2-1.1111.3E213 G243 F244 L248 S249 V250E213-R246 WeakPolarHBondContact O-CD 3.48Å; E213-R246 PolarHBondContact O-NH1 3.27Å; E213-R246 IonicContact OE2-NH1 3.26Å; E213-R246 PolarHBondContact OE2-NH1 3.44Å; G243-R246 WeakPolarHBondContact O-CB 3.47Å; G243-R246 PolarHBondContact O-N 3.3Å; F244-R246 VanDerWaalsContact C-N 3.28Å; F244-R246 PolarHBondContact O-N 3.46Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 2.94Å; R246-S249 PolarHBondContact O-N 3.15Å; R246-S249 PolarHBondContact O-OG 3.28Å; R246-V250 WeakPolarHBondContact O-CG2 3.45Å; R246-V250 PolarHBondContact O-N 2.9Å; R246-V250 VanDerWaalsContact O-N 3.15Å
247V95.9Very high95.5Very high0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-69.8-32-18070.20000111.8L10 W126 I128 M242 G243 F244 V250 L251L10-V247 HydrophobicContact CD2-CG1 3.95Å; W126-V247 HydrophobicContact CE3-CG2 3.98Å; W126-V247 HydrophobicContact CZ3-CG2 3.64Å; I128-V247 HydrophobicContact CD1-CG2 4.47Å; M242-V247 HydrophobicContact CG-CB 4.38Å; M242-V247 HydrophobicContact CG-CG1 4.1Å; M242-V247 HydrophobicContact SD-CB 4.23Å; M242-V247 HydrophobicContact SD-CG1 3.77Å; M242-V247 HydrophobicContact SD-CG2 4.33Å; G243-V247 PolarHBondContact O-N 2.85Å; F244-V247 WeakPolarHBondContact O-CG1 3.2Å; F244-V247 PolarHBondContact O-N 2.83Å; V247-V250 WeakPolarHBondContact O-CB 3.29Å; V247-V250 PolarHBondContact O-N 3.37Å; V247-L251 HydrophobicContact CG2-CD1 4.2Å; V247-L251 WeakPolarHBondContact O-CG 3.43Å; V247-L251 PolarHBondContact O-N 3.06Å
248L96.2Very high95.4Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-61.9-45.6173.5-178.564000111.7A7 L10 F244 R246 V250 L251 Q252 T260 L262A7-L248 HydrophobicContact CB-CD1 4.35Å; A7-L248 HydrophobicContact CB-CD2 3.7Å; L10-L248 HydrophobicContact CB-CD1 4.46Å; L10-L248 HydrophobicContact CD2-CB 3.76Å; L10-L248 HydrophobicContact CD2-CD1 3.79Å; L10-L248 HydrophobicContact CD2-CG 4.37Å; F244-L248 VanDerWaalsContact O-CB 3.22Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 PolarHBondContact O-N 3.49Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 2.94Å; L248-V250 VanDerWaalsContact C-N 3.28Å; L248-V250 PolarHBondContact O-N 3.06Å; L248-L251 PolarHBondContact O-N 3.09Å; L248-Q252 HydrophobicContact CD1-CG 4.07Å; L248-Q252 HydrophobicContact CG-CG 4.47Å; L248-Q252 WeakPolarHBondContact O-CB 3.28Å; L248-Q252 WeakPolarHBondContact O-CG 3.45Å; L248-Q252 PolarHBondContact O-N 3.11Å; L248-T260 HydrophobicContact CD2-CG2 4.21Å; L248-T260 HydrophobicContact CG-CG2 4.11Å; L248-L262 HydrophobicContact CD2-CD1 3.48Å; L248-L262 VanDerWaalsContact CD2-CD1 3.48Å; L248-L262 HydrophobicContact CD2-CG 3.64Å
249S95.2Very high95.2Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-67.4-29.8178.569.80000112.3R194 E245 R246 N253 K254 N257R194-S249 PolarHBondContact NH1-O 2.55Å; R194-S249 PolarHBondContact NH2-OG 2.98Å; E245-S249 PolarHBondContact O-N 3.39Å; E245-S249 VanDerWaalsContact O-N 3.16Å; E245-S249 PolarHBondContact O-OG 2.91Å; R246-S249 PolarHBondContact O-N 3.15Å; R246-S249 PolarHBondContact O-OG 3.28Å; S249-N253 PolarHBondContact O-N 3Å; S249-K254 PolarHBondContact O-N 2.85Å; S249-N257 WeakPolarHBondContact CB-OD1 3.5Å; S249-N257 PolarHBondContact OG-OD1 3.49Å
250V94.6Very high95.1Very high1 Ų124 Ų241%0.00612%0.115CC..Hα-helixtrans-62.8-53.1168.4169.70000110.8M1 I128 Y192 I214 R246 V247 L248 Q252 N253M1-V250 HydrophobicContact CE-CG1 3.82Å; I128-V250 HydrophobicContact CD1-CG1 4.32Å; Y192-V250 HydrophobicContact CD1-CB 4.25Å; Y192-V250 HydrophobicContact CD1-CG1 3.67Å; Y192-V250 HydrophobicContact CD1-CG2 3.52Å; Y192-V250 HydrophobicContact CD2-CG1 4.31Å; Y192-V250 HydrophobicContact CE1-CB 4.37Å; Y192-V250 HydrophobicContact CE1-CG1 3.59Å; Y192-V250 HydrophobicContact CE1-CG2 4.03Å; Y192-V250 HydrophobicContact CE2-CG1 4.25Å; Y192-V250 HydrophobicContact CG-CG1 4.03Å; Y192-V250 HydrophobicContact CG-CG2 4.18Å; I214-V250 HydrophobicContact CG2-CG2 4.15Å; R246-V250 WeakPolarHBondContact O-CG2 3.45Å; R246-V250 PolarHBondContact O-N 2.9Å; R246-V250 VanDerWaalsContact O-N 3.15Å; V247-V250 WeakPolarHBondContact O-CB 3.29Å; V247-V250 PolarHBondContact O-N 3.37Å; L248-V250 VanDerWaalsContact C-N 3.28Å; L248-V250 PolarHBondContact O-N 3.06Å; V250-Q252 VanDerWaalsContact C-N 3.34Å; V250-Q252 PolarHBondContact O-N 3.47Å; V250-N253 PolarHBondContact O-N 3.08Å
251L95Very high94.9Very high3 Ų326.5 Ų26.52%0.01613%0.129CC..Hα-helixtrans-71.1-26.9-174.7-67.9170.4000114.1N3 I5 L10 W126 I128 V247 L248 N253N3-L251 WeakPolarHBondContact CA-O 3.36Å; I5-L251 HydrophobicContact CG2-CB 3.62Å; I5-L251 HydrophobicContact CG2-CD1 4.29Å; L10-L251 HydrophobicContact CD1-CD1 3.39Å; L10-L251 HydrophobicContact CD2-CD1 4.43Å; L10-L251 HydrophobicContact CG-CD1 4.49Å; W126-L251 HydrophobicContact CB-CD1 4.32Å; W126-L251 HydrophobicContact CB-CD2 3.92Å; W126-L251 HydrophobicContact CD2-CD1 3.93Å; W126-L251 HydrophobicContact CE3-CD1 4.07Å; W126-L251 HydrophobicContact CG-CD1 4.04Å; I128-L251 HydrophobicContact CD1-CD2 4.07Å; I128-L251 HydrophobicContact CG1-CD2 3.72Å; V247-L251 HydrophobicContact CG2-CD1 4.2Å; V247-L251 WeakPolarHBondContact O-CG 3.43Å; V247-L251 PolarHBondContact O-N 3.06Å; L248-L251 PolarHBondContact O-N 3.09Å; L251-N253 VanDerWaalsContact C-N 3.28Å
252Q94.7Very high94.8Very high28 Ų2826 Ų2613%0.13112%0.123CC..THydrogen-bonded Turntrans-85.20.7171.8-68.4-174.5-4.600113.4I5 L248 V250 K254 D261I5-Q252 WeakPolarHBondContact O-CG 3.49Å; I5-Q252 PolarHBondContact O-NE2 2.84Å; L248-Q252 HydrophobicContact CD1-CG 4.07Å; L248-Q252 HydrophobicContact CG-CG 4.47Å; L248-Q252 WeakPolarHBondContact O-CB 3.28Å; L248-Q252 WeakPolarHBondContact O-CG 3.45Å; L248-Q252 PolarHBondContact O-N 3.11Å; V250-Q252 VanDerWaalsContact C-N 3.34Å; V250-Q252 PolarHBondContact O-N 3.47Å; Q252-K254 VanDerWaalsContact C-N 3.33Å; Q252-K254 HydrophobicContact CB-CG 3.9Å; Q252-K254 PolarHBondContact O-N 3.41Å; Q252-D261 VanDerWaalsContact NE2-CG 3.35Å; Q252-D261 PolarHBondContact NE2-OD1 3.24Å
253N92.8Very high94.7Very high106 Ų10626 Ų2657%0.56712%0.123SC*.THydrogen-bonded Turntrans52.948.9-176.3-167.139.5000112.5S249 V250 L251S249-N253 PolarHBondContact O-N 3Å; V250-N253 PolarHBondContact O-N 3.08Å; L251-N253 VanDerWaalsContact C-N 3.28Å
254K92.4Very high94.7Very high88 Ų8827.7 Ų27.738%0.38313%0.131SC..  trans-112.4131.3177.8-63.1-59.3-173174.20109.8R194 S249 Q252 S256 D259R194-K254 PolarHBondContact NH1-O 3.38Å; R194-K254 PolarHBondContact NH2-O 3.09Å; S249-K254 PolarHBondContact O-N 2.85Å; Q252-K254 VanDerWaalsContact C-N 3.33Å; Q252-K254 HydrophobicContact CB-CG 3.9Å; Q252-K254 PolarHBondContact O-N 3.41Å; K254-S256 VanDerWaalsContact C-N 3.25Å; K254-S256 PolarHBondContact O-N 2.95Å; K254-D259 HydrophobicContact CB-CB 4.18Å; K254-D259 HydrophobicContact CD-CB 4.09Å; K254-D259 HydrophobicContact CG-CB 4.28Å
255R90.6Very high94.7Very high153 Ų15329.7 Ų29.758%0.57714%0.144SC*.SBendtrans-71.1-23.6179.9-160.5175.7-174.8-161.70.4112.7D210D210-R255 IonicContact OD1-CZ 3.47Å; D210-R255 IonicContact OD1-NE 2.81Å; D210-R255 PolarHBondContact OD1-NE 3.37Å; D210-R255 IonicContact OD1-NH2 3.29Å; D210-R255 PolarHBondContact OD1-NH2 2.94Å; D210-R255 IonicContact OD2-CZ 3.66Å; D210-R255 IonicContact OD2-NE 3.79Å; D210-R255 IonicContact OD2-NH2 2.75Å; D210-R255 PolarHBondContact OD2-NH2 3.11Å
256S92.8Very high94.7Very high5 Ų529.7 Ų29.74%0.03514%0.144CC..SBendtrans-119.1139.3-178.7160.30000110.8K254 Y258 D259K254-S256 VanDerWaalsContact C-N 3.25Å; K254-S256 PolarHBondContact O-N 2.95Å; S256-Y258 PolarHBondContact O-N 3.19Å; S256-Y258 WeakPolarHBondContact OG-CB 3.31Å; S256-Y258 PolarHBondContact OG-N 2.89Å; S256-Y258 VanDerWaalsContact OG-N 3.1Å; S256-D259 VanDerWaalsContact CB-CG 3.47Å; S256-D259 WeakPolarHBondContact CB-OD1 3.43Å; S256-D259 WeakPolarHBondContact CB-OD2 3.33Å; S256-D259 PolarHBondContact O-N 3.48Å; S256-D259 VanDerWaalsContact O-N 3.16Å; S256-D259 PolarHBondContact OG-OD1 3.06Å
257N94.4Very high94.8Very high1 Ų128.3 Ų28.31%0.00514%0.139CC..G310 helixtrans-61.5-32.2172.6-69.4-3000111.2V92 Y93 H95 E245 S249 D259 T260 F263V92-N257 WeakPolarHBondContact O-CB 3.41Å; V92-N257 PolarHBondContact O-N 2.91Å; Y93-N257 WeakPolarHBondContact CA-ND2 3.49Å; Y93-N257 PolarHBondContact O-ND2 3.32Å; H95-N257 VanDerWaalsContact NE2-CB 3.28Å; H95-N257 WeakPolarHBondContact NE2-CB 3.4Å; H95-N257 PolarHBondContact NE2-ND2 3.13Å; E245-N257 HydrophobicContact CB-CB 4.25Å; E245-N257 PolarHBondContact O-OD1 3.5Å; S249-N257 WeakPolarHBondContact CB-OD1 3.5Å; S249-N257 PolarHBondContact OG-OD1 3.49Å; N257-D259 PolarHBondContact O-N 3.29Å; N257-T260 WeakPolarHBondContact O-CB 3Å; N257-T260 VanDerWaalsContact O-CG2 3.32Å; N257-T260 WeakPolarHBondContact O-CG2 3.28Å; N257-T260 PolarHBondContact O-N 2.86Å; N257-T260 PolarHBondContact O-OG1 2.7Å; N257-F263 VanDerWaalsContact O-CD2 3.32Å; N257-F263 WeakPolarHBondContact O-CD2 3.2Å
258Y95.1Very high94.8Very high0 Ų034.9 Ų34.90%017%0.167CC..G310 helixtrans-70.4-12178.8-58.5-83.1000113.9H94 H95 S256 T260 F263 F267 R296 D300H94-Y258 PolarHBondContact O-OH 2.61Å; H95-Y258 AromaticContact CE1-CE1 3.73Å; H95-Y258 AromaticContact CE1-CE2 3.89Å; H95-Y258 AromaticContact CE1-CZ 3.54Å; H95-Y258 AromaticContact ND1-CE1 3.82Å; H95-Y258 AromaticContact ND1-CZ 3.65Å; H95-Y258 PolarHBondContact ND1-OH 2.86Å; S256-Y258 PolarHBondContact O-N 3.19Å; S256-Y258 WeakPolarHBondContact OG-CB 3.31Å; S256-Y258 PolarHBondContact OG-N 2.89Å; S256-Y258 VanDerWaalsContact OG-N 3.1Å; Y258-T260 VanDerWaalsContact C-N 3.31Å; Y258-F263 AromaticContact CD1-CD1 3.79Å; Y258-F263 HydrophobicContact CD1-CD1 3.79Å; Y258-F263 HydrophobicContact CD1-CD2 4.47Å; Y258-F263 AromaticContact CD1-CE1 3.71Å; Y258-F263 HydrophobicContact CD1-CE1 3.71Å; Y258-F263 HydrophobicContact CD1-CE2 4.39Å; Y258-F263 HydrophobicContact CD1-CG 4.16Å; Y258-F263 AromaticContact CD1-CZ 3.99Å; Y258-F263 HydrophobicContact CD1-CZ 3.99Å; Y258-F263 HydrophobicContact CE1-CD1 4.38Å; Y258-F263 AromaticContact CE1-CE1 3.87Å; Y258-F263 HydrophobicContact CE1-CE1 3.87Å; Y258-F263 HydrophobicContact CE1-CZ 4.11Å; Y258-F263 VanDerWaalsContact O-CB 3.29Å; Y258-F263 WeakPolarHBondContact O-CB 3.23Å; Y258-F267 HydrophobicContact CD1-CZ 4.18Å; Y258-F267 HydrophobicContact CG-CZ 4.43Å; Y258-F267 VanDerWaalsContact O-CE2 3.22Å; Y258-F267 WeakPolarHBondContact O-CE2 3.22Å; Y258-R296 HydrophobicContact CD1-CB 4.01Å; Y258-R296 HydrophobicContact CD1-CG 3.81Å; Y258-R296 VanDerWaalsContact CD2-CD 3.44Å; Y258-R296 HydrophobicContact CD2-CG 3.88Å; Y258-R296 HydrophobicContact CE1-CB 3.84Å; Y258-R296 HydrophobicContact CE1-CG 4.1Å; Y258-R296 HydrophobicContact CE2-CB 4.41Å; Y258-R296 HydrophobicContact CE2-CG 4.2Å; Y258-R296 HydrophobicContact CG-CB 4.34Å; Y258-R296 HydrophobicContact CG-CG 3.68Å; Y258-D300 HydrophobicContact CE1-CB 4.35Å
259D94.5Very high94.7Very high45 Ų4536.7 Ų36.724%0.24118%0.179CC..G310 helixtrans-93.66.7-179.1-57.1-3.2000112.4K254 S256 N257 Y279K254-D259 HydrophobicContact CB-CB 4.18Å; K254-D259 HydrophobicContact CD-CB 4.09Å; K254-D259 HydrophobicContact CG-CB 4.28Å; S256-D259 VanDerWaalsContact CB-CG 3.47Å; S256-D259 WeakPolarHBondContact CB-OD1 3.43Å; S256-D259 WeakPolarHBondContact CB-OD2 3.33Å; S256-D259 PolarHBondContact O-N 3.48Å; S256-D259 VanDerWaalsContact O-N 3.16Å; S256-D259 PolarHBondContact OG-OD1 3.06Å; N257-D259 PolarHBondContact O-N 3.29Å; D259-Y279 WeakPolarHBondContact OD1-CE1 3.29Å; D259-Y279 PolarHBondContact OD1-OH 3.1Å
260T95.3Very high94.8Very high1 Ų136.7 Ų36.71%0.00618%0.179CC..SBendtrans-88.1168.1-179.364.90000112.2L248 N257 Y258 L262 F263 V264L248-T260 HydrophobicContact CD2-CG2 4.21Å; L248-T260 HydrophobicContact CG-CG2 4.11Å; N257-T260 WeakPolarHBondContact O-CB 3Å; N257-T260 VanDerWaalsContact O-CG2 3.32Å; N257-T260 WeakPolarHBondContact O-CG2 3.28Å; N257-T260 PolarHBondContact O-N 2.86Å; N257-T260 PolarHBondContact O-OG1 2.7Å; Y258-T260 VanDerWaalsContact C-N 3.31Å; T260-L262 PolarHBondContact O-N 3Å; T260-F263 PolarHBondContact O-N 3.01Å; T260-F263 VanDerWaalsContact O-N 3.13Å; T260-V264 VanDerWaalsContact O-CG2 3.3Å; T260-V264 WeakPolarHBondContact O-CG2 3.44Å; T260-V264 PolarHBondContact O-N 3.43Å; T260-V264 VanDerWaalsContact O-N 3.17Å
261D94.3Very high94.9Very high54 Ų5440.3 Ų40.329%0.28920%0.195SC..THydrogen-bonded Turntrans-61.9-10.6175.361.6-30.2000114.2T6 A7 Q252 P265T6-D261 WeakPolarHBondContact CA-OD2 3.43Å; T6-D261 WeakPolarHBondContact CB-OD2 3.45Å; A7-D261 PolarHBondContact N-OD1 3.33Å; A7-D261 PolarHBondContact N-OD2 3.41Å; Q252-D261 VanDerWaalsContact NE2-CG 3.35Å; Q252-D261 PolarHBondContact NE2-OD1 3.24Å; D261-P265 WeakPolarHBondContact O-CD 3.43Å
262L94.3Very high94.8Very high2 Ų244.3 Ų44.31%0.0123%0.229CC..THydrogen-bonded Turntrans-73.7-26.3172.2-69.3175.6000114.4A7 F244 E245 L248 T260 T356A7-L262 HydrophobicContact CB-CD2 3.58Å; A7-L262 HydrophobicContact CB-CG 3.87Å; F244-L262 HydrophobicContact CD1-CD1 3.99Å; F244-L262 HydrophobicContact CE1-CD1 3.72Å; F244-L262 HydrophobicContact CE1-CD2 4.13Å; F244-L262 HydrophobicContact CE1-CG 4.44Å; E245-L262 HydrophobicContact CG-CD1 3.95Å; L248-L262 HydrophobicContact CD2-CD1 3.48Å; L248-L262 VanDerWaalsContact CD2-CD1 3.48Å; L248-L262 HydrophobicContact CD2-CG 3.64Å; T260-L262 PolarHBondContact O-N 3Å; L262-T356 HydrophobicContact CD2-CG2 3.89Å
263F96.3Very high94.7Very high0 Ų045 Ų450%024%0.243CC..THydrogen-bonded Turntrans-120.1-27.1-171.9-70-88.6000113.4H95 E245 N257 Y258 T260 P265 L266 F267 A299H95-F263 AromaticContact CE1-CE2 3.81Å; H95-F263 AromaticContact CE1-CZ 3.4Å; H95-F263 WeakPolarHBondContact CE1-CZ 3.41Å; H95-F263 AromaticContact ND1-CZ 3.64Å; E245-F263 HydrophobicContact CG-CE2 4.35Å; N257-F263 VanDerWaalsContact O-CD2 3.32Å; N257-F263 WeakPolarHBondContact O-CD2 3.2Å; Y258-F263 AromaticContact CD1-CD1 3.79Å; Y258-F263 HydrophobicContact CD1-CD1 3.79Å; Y258-F263 HydrophobicContact CD1-CD2 4.47Å; Y258-F263 AromaticContact CD1-CE1 3.71Å; Y258-F263 HydrophobicContact CD1-CE1 3.71Å; Y258-F263 HydrophobicContact CD1-CE2 4.39Å; Y258-F263 HydrophobicContact CD1-CG 4.16Å; Y258-F263 AromaticContact CD1-CZ 3.99Å; Y258-F263 HydrophobicContact CD1-CZ 3.99Å; Y258-F263 HydrophobicContact CE1-CD1 4.38Å; Y258-F263 AromaticContact CE1-CE1 3.87Å; Y258-F263 HydrophobicContact CE1-CE1 3.87Å; Y258-F263 HydrophobicContact CE1-CZ 4.11Å; Y258-F263 VanDerWaalsContact O-CB 3.29Å; Y258-F263 WeakPolarHBondContact O-CB 3.23Å; T260-F263 PolarHBondContact O-N 3.01Å; T260-F263 VanDerWaalsContact O-N 3.13Å; F263-P265 VanDerWaalsContact C-CD 3.45Å; F263-P265 VanDerWaalsContact C-N 3.31Å; F263-L266 WeakPolarHBondContact O-CB 3.26Å; F263-L266 PolarHBondContact O-N 3.42Å; F263-F267 HydrophobicContact CB-CE2 4.32Å; F263-F267 HydrophobicContact CB-CZ 4.29Å; F263-F267 PolarHBondContact O-N 3.44Å; F263-A299 HydrophobicContact CD1-CB 4.08Å
264V95.3Very high94.7Very high52 Ų5240.5 Ų40.532%0.31522%0.22SC..Hα-helixtrans-52.2-41.2179168.10000113.3T260 L266 F267 K268T260-V264 VanDerWaalsContact O-CG2 3.3Å; T260-V264 WeakPolarHBondContact O-CG2 3.44Å; T260-V264 PolarHBondContact O-N 3.43Å; T260-V264 VanDerWaalsContact O-N 3.17Å; V264-L266 PolarHBondContact O-N 3Å; V264-F267 PolarHBondContact O-N 3Å; V264-K268 HydrophobicContact CG1-CD 4.32Å; V264-K268 WeakPolarHBondContact O-CG 3.26Å; V264-K268 PolarHBondContact O-N 3.44Å
265P96.3Very high94.4Very high42 Ų4243.9 Ų43.927%0.27324%0.242SC..Hα-helixtrans-61.5-39.7175.3-25.136.3000113.7D261 F263 T269 I352D261-P265 WeakPolarHBondContact O-CD 3.43Å; F263-P265 VanDerWaalsContact C-CD 3.45Å; F263-P265 VanDerWaalsContact C-N 3.31Å; P265-T269 PolarHBondContact O-N 3.45Å; P265-T269 VanDerWaalsContact O-N 3.17Å; P265-T269 PolarHBondContact O-OG1 3.42Å; P265-I352 HydrophobicContact CB-CG2 3.65Å
266L97.2Very high94.3Very high1 Ų137.6 Ų37.61%0.00522%0.221CC..Hα-helixtrans-64.8-45.5176.6-72.2163.1000110.7F263 V264 K268 T269 I270 A299 R303 L349 I352 V353F263-L266 WeakPolarHBondContact O-CB 3.26Å; F263-L266 PolarHBondContact O-N 3.42Å; V264-L266 PolarHBondContact O-N 3Å; L266-K268 PolarHBondContact O-N 3.23Å; L266-T269 PolarHBondContact O-N 3.36Å; L266-T269 VanDerWaalsContact O-N 3.16Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.48Å; L266-I270 PolarHBondContact O-N 3.01Å; L266-A299 HydrophobicContact CB-CB 3.94Å; L266-A299 HydrophobicContact CD1-CB 3.98Å; L266-R303 HydrophobicContact CD1-CG 3.99Å; L266-L349 HydrophobicContact CD2-CB 4.14Å; L266-L349 HydrophobicContact CD2-CD2 4.35Å; L266-I352 HydrophobicContact CD2-CB 3.8Å; L266-I352 HydrophobicContact CD2-CG2 3.79Å; L266-I352 HydrophobicContact CG-CB 4.46Å; L266-I352 HydrophobicContact CG-CG2 3.89Å; L266-V353 HydrophobicContact CD1-CG2 4.47Å; L266-V353 HydrophobicContact CD2-CG2 4.03Å
267F97Very high94.4Very high12 Ų1240.8 Ų40.85%0.05323%0.232CC..Hα-helixtrans-62.3-42.3179.2-65.9-13.6000112.8Y258 F263 V264 T269 I270 E271 Y279 Y295 R296 A299Y258-F267 HydrophobicContact CD1-CZ 4.18Å; Y258-F267 HydrophobicContact CG-CZ 4.43Å; Y258-F267 VanDerWaalsContact O-CE2 3.22Å; Y258-F267 WeakPolarHBondContact O-CE2 3.22Å; F263-F267 HydrophobicContact CB-CE2 4.32Å; F263-F267 HydrophobicContact CB-CZ 4.29Å; F263-F267 PolarHBondContact O-N 3.44Å; V264-F267 PolarHBondContact O-N 3Å; F267-T269 VanDerWaalsContact C-N 3.27Å; F267-T269 PolarHBondContact O-N 3.42Å; F267-I270 HydrophobicContact CD1-CD1 4.32Å; F267-I270 PolarHBondContact O-N 3.21Å; F267-E271 WeakPolarHBondContact O-CB 3.36Å; F267-E271 PolarHBondContact O-N 3.46Å; F267-Y279 AromaticContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD2 4.47Å; F267-Y279 HydrophobicContact CD2-CE1 4.19Å; F267-Y279 AromaticContact CD2-CG 3.96Å; F267-Y279 HydrophobicContact CD2-CG 3.96Å; F267-Y279 AromaticContact CE2-CD1 3.85Å; F267-Y279 HydrophobicContact CE2-CD1 3.85Å; F267-Y279 HydrophobicContact CE2-CD2 4.21Å; F267-Y279 AromaticContact CE2-CE1 3.77Å; F267-Y279 HydrophobicContact CE2-CE1 3.77Å; F267-Y279 HydrophobicContact CE2-CE2 4.14Å; F267-Y279 HydrophobicContact CE2-CG 4.06Å; F267-Y279 AromaticContact CE2-CZ 3.9Å; F267-Y279 HydrophobicContact CZ-CE2 4.4Å; F267-Y295 HydrophobicContact CB-CD1 4.13Å; F267-Y295 HydrophobicContact CB-CE1 4.45Å; F267-Y295 AromaticContact CD1-CD1 3.87Å; F267-Y295 HydrophobicContact CD1-CD1 3.87Å; F267-Y295 HydrophobicContact CD1-CG 4.47Å; F267-Y295 WeakPolarHBondContact CE1-O 3.42Å; F267-Y295 HydrophobicContact CG-CD1 4.14Å; F267-Y295 WeakPolarHBondContact O-CE1 3.15Å; F267-R296 HydrophobicContact CZ-CG 4.24Å; F267-A299 HydrophobicContact CD1-CB 3.94Å; F267-A299 HydrophobicContact CE1-CB 3.46Å; F267-A299 VanDerWaalsContact CE1-CB 3.46Å; F267-A299 HydrophobicContact CZ-CB 4.49Å
268K95.6Very high94.3Very high138 Ų13844 Ų4460%0.625%0.253SS*.Hα-helixtrans-60.2-38.9174.4-73.3178.1178.5178.90112.4V264 L266 A272V264-K268 HydrophobicContact CG1-CD 4.32Å; V264-K268 WeakPolarHBondContact O-CG 3.26Å; V264-K268 PolarHBondContact O-N 3.44Å; L266-K268 PolarHBondContact O-N 3.23Å; K268-A272 WeakPolarHBondContact O-CB 3.48Å; K268-A272 PolarHBondContact O-N 2.92Å
269T96.2Very high94.3Very high39 Ų3946 Ų4624%0.23926%0.261CS..Hα-helixtrans-69.8-40178.3-55.50000111.4P265 L266 F267 A272 G273 L349 I352P265-T269 PolarHBondContact O-N 3.45Å; P265-T269 VanDerWaalsContact O-N 3.17Å; P265-T269 PolarHBondContact O-OG1 3.42Å; L266-T269 PolarHBondContact O-N 3.36Å; L266-T269 VanDerWaalsContact O-N 3.16Å; F267-T269 VanDerWaalsContact C-N 3.27Å; F267-T269 PolarHBondContact O-N 3.42Å; T269-A272 PolarHBondContact O-N 3.39Å; T269-G273 PolarHBondContact O-N 3.03Å; T269-L349 HydrophobicContact CG2-CD2 3.86Å; T269-I352 HydrophobicContact CG2-CG1 4.05Å
270I96.9Very high94.3Very high0 Ų047.4 Ų47.40%027%0.271CS..Hα-helixtrans-62.2-45.4173.8-66.8164.8000111.2L266 F267 G273 T274 Y295 L298 A299 L339 F345 L349L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.48Å; L266-I270 PolarHBondContact O-N 3.01Å; F267-I270 HydrophobicContact CD1-CD1 4.32Å; F267-I270 PolarHBondContact O-N 3.21Å; I270-G273 PolarHBondContact O-N 3.32Å; I270-T274 HydrophobicContact CG2-CG2 4.34Å; I270-T274 WeakPolarHBondContact O-CB 3.43Å; I270-T274 WeakPolarHBondContact O-CG2 3.26Å; I270-T274 PolarHBondContact O-N 3.44Å; I270-T274 PolarHBondContact O-OG1 2.93Å; I270-Y295 HydrophobicContact CB-CD1 3.9Å; I270-Y295 HydrophobicContact CB-CE1 3.63Å; I270-Y295 HydrophobicContact CD1-CD1 4.18Å; I270-Y295 HydrophobicContact CG2-CD1 3.61Å; I270-Y295 HydrophobicContact CG2-CE1 3.33Å; I270-Y295 HydrophobicContact CG2-CG 4.45Å; I270-L298 HydrophobicContact CD1-CB 4.19Å; I270-L298 HydrophobicContact CD1-CD2 3.85Å; I270-L298 HydrophobicContact CD1-CG 3.95Å; I270-L298 HydrophobicContact CG1-CD2 3.9Å; I270-L298 HydrophobicContact CG1-CG 4.43Å; I270-L298 HydrophobicContact CG2-CD2 4.24Å; I270-A299 HydrophobicContact CD1-CB 4.37Å; I270-L339 HydrophobicContact CG2-CD1 3.82Å; I270-F345 HydrophobicContact CG1-CE1 4.25Å; I270-L349 HydrophobicContact CD1-CD1 4.31Å; I270-L349 HydrophobicContact CG1-CD1 4.11Å; I270-L349 HydrophobicContact CG1-CD2 3.96Å
271E95.4Very high94.2Very high77 Ų7748.9 Ų48.936%0.3629%0.286SS..Hα-helixtrans-58.2-52.6177-176.1-173.9161.200110.7F267 G273 N275 Y295F267-E271 WeakPolarHBondContact O-CB 3.36Å; F267-E271 PolarHBondContact O-N 3.46Å; E271-G273 VanDerWaalsContact C-N 3.33Å; E271-G273 PolarHBondContact O-N 3.07Å; E271-N275 PolarHBondContact O-N 3.37Å; E271-Y295 WeakPolarHBondContact CA-OH 3.13Å; E271-Y295 HydrophobicContact CB-CE1 4.48Å
272A93.9Very high94.2Very high87 Ų8750.5 Ų50.572%0.71929%0.291SS*.Hα-helixtrans-63.8-35.9-17900000113.3K268 T269K268-A272 WeakPolarHBondContact O-CB 3.48Å; K268-A272 PolarHBondContact O-N 2.92Å; T269-A272 PolarHBondContact O-N 3.39Å
273G92.5Very high94Very high42 Ų4252.9 Ų52.943%0.43331%0.305SS..Hα-helixtrans-82.8-23.8-175.700000115.2T269 I270 E271T269-G273 PolarHBondContact O-N 3.03Å; I270-G273 PolarHBondContact O-N 3.32Å; E271-G273 VanDerWaalsContact C-N 3.33Å; E271-G273 PolarHBondContact O-N 3.07Å
274T93.1Very high93.5Very high12 Ų1255 Ų557%0.07433%0.327CS..Hα-helixtrans-111.5-14.1-174.268.20000114.2I270 T276 L339 A341 F345I270-T274 HydrophobicContact CG2-CG2 4.34Å; I270-T274 WeakPolarHBondContact O-CB 3.43Å; I270-T274 WeakPolarHBondContact O-CG2 3.26Å; I270-T274 PolarHBondContact O-N 3.44Å; I270-T274 PolarHBondContact O-OG1 2.93Å; T274-T276 PolarHBondContact O-N 2.87Å; T274-T276 WeakPolarHBondContact OG1-CB 3.25Å; T274-T276 PolarHBondContact OG1-OG1 3.37Å; T274-L339 VanDerWaalsContact CB-O 3.26Å; T274-L339 WeakPolarHBondContact CB-O 3.48Å; T274-L339 HydrophobicContact CG2-CB 4.16Å; T274-A341 HydrophobicContact CG2-CB 3.65Å; T274-F345 HydrophobicContact CG2-CD1 4.19Å; T274-F345 HydrophobicContact CG2-CE1 3.88Å; T274-F345 HydrophobicContact CG2-CZ 4.24Å
275N84.9Confident93.1Very high158 Ų15859 Ų5985%0.84535%0.351SS*.  trans57.227.8-175.5-160.251.8000113E271E271-N275 PolarHBondContact O-N 3.37Å
276T89.5Confident92.9Very high21 Ų2163 Ų6313%0.12937%0.366CS..PPolyproline II helixtrans-83.6159.5172.1-72.10000110T274 I291 Y295 L339T274-T276 PolarHBondContact O-N 2.87Å; T274-T276 WeakPolarHBondContact OG1-CB 3.25Å; T274-T276 PolarHBondContact OG1-OG1 3.37Å; T276-I291 HydrophobicContact CG2-CB 4.48Å; T276-I291 HydrophobicContact CG2-CD1 3.89Å; T276-I291 HydrophobicContact CG2-CG1 4.28Å; T276-I291 HydrophobicContact CG2-CG2 3.43Å; T276-I291 VanDerWaalsContact CG2-CG2 3.43Å; T276-Y295 HydrophobicContact CG2-CE2 4.14Å; T276-L339 HydrophobicContact CG2-CD2 3.93Å; T276-L339 PolarHBondContact OG1-O 2.71Å
277R93.5Very high92.6Very high73 Ų7363 Ų6328%0.27537%0.366SS..PPolyproline II helixtrans-55.6153.4174.767.3166.1-176.776.2-3.2111.9T280 D287 D289 I291 D292 Y295R277-T280 PolarHBondContact NH1-OG1 3.42Å; R277-D287 IonicContact NH2-OD1 2.78Å; R277-D287 PolarHBondContact NH2-OD1 3.17Å; R277-D289 IonicContact CZ-OD1 3.73Å; R277-D289 IonicContact CZ-OD2 3.67Å; R277-D289 IonicContact NE-OD1 3.79Å; R277-D289 IonicContact NE-OD2 3.98Å; R277-D289 PolarHBondContact NE-OD2 3.09Å; R277-D289 IonicContact NH2-OD1 3.88Å; R277-D289 PolarHBondContact NH2-OD1 3.46Å; R277-D289 IonicContact NH2-OD2 3.48Å; R277-D289 PolarHBondContact NH2-OD2 3.21Å; R277-I291 HydrophobicContact CG-CG2 4.07Å; R277-D292 IonicContact CZ-OD1 3.72Å; R277-D292 IonicContact NH1-OD1 3.29Å; R277-D292 PolarHBondContact NH1-OD1 2.93Å; R277-D292 IonicContact NH2-OD1 2.66Å; R277-D292 PolarHBondContact NH2-OD1 3.31Å; R277-D292 VanDerWaalsContact NH2-OD1 3.09Å; R277-Y295 WeakPolarHBondContact O-CE2 3.41Å; R277-Y295 PolarHBondContact O-OH 2.84Å
278P93.7Very high92.2Very high68 Ų6868.1 Ų68.144%0.44240%0.399SS..PPolyproline II helixtrans-58.8151.3174.8-21.130.6000112.2
279Y95Very high91.9Very high42 Ų4265 Ų6517%0.16539%0.388CS..PPolyproline II helixtrans-62.1133.2170.6174.8-102.5000110.8D259 F267 D292 Y295 R296D259-Y279 WeakPolarHBondContact OD1-CE1 3.29Å; D259-Y279 PolarHBondContact OD1-OH 3.1Å; F267-Y279 AromaticContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD2 4.47Å; F267-Y279 HydrophobicContact CD2-CE1 4.19Å; F267-Y279 AromaticContact CD2-CG 3.96Å; F267-Y279 HydrophobicContact CD2-CG 3.96Å; F267-Y279 AromaticContact CE2-CD1 3.85Å; F267-Y279 HydrophobicContact CE2-CD1 3.85Å; F267-Y279 HydrophobicContact CE2-CD2 4.21Å; F267-Y279 AromaticContact CE2-CE1 3.77Å; F267-Y279 HydrophobicContact CE2-CE1 3.77Å; F267-Y279 HydrophobicContact CE2-CE2 4.14Å; F267-Y279 HydrophobicContact CE2-CG 4.06Å; F267-Y279 AromaticContact CE2-CZ 3.9Å; F267-Y279 HydrophobicContact CZ-CE2 4.4Å; Y279-D292 HydrophobicContact CD2-CB 3.9Å; Y279-D292 HydrophobicContact CE2-CB 3.82Å; Y279-Y295 HydrophobicContact CD2-CD2 4.35Å; Y279-Y295 HydrophobicContact CD2-CG 4.16Å; Y279-R296 HydrophobicContact CE2-CG 4.07Å
280T94.4Very high91.6Very high75 Ų7567.1 Ų67.146%0.4639%0.394SS..  trans-117.4-0.7-175.157.40000115.4R277 K282 D292R277-T280 PolarHBondContact NH1-OG1 3.42Å; T280-K282 VanDerWaalsContact C-N 3.32Å; T280-K282 PolarHBondContact O-N 3.43Å; T280-K282 WeakPolarHBondContact OG1-CG 3.44Å; T280-D292 VanDerWaalsContact CA-OD2 3.29Å; T280-D292 WeakPolarHBondContact CA-OD2 3.47Å; T280-D292 WeakPolarHBondContact CB-OD2 3.37Å; T280-D292 PolarHBondContact N-OD1 3.5Å; T280-D292 PolarHBondContact N-OD2 3.48Å; T280-D292 PolarHBondContact OG1-OD1 3.03Å; T280-D292 PolarHBondContact OG1-OD2 3Å
281G92.3Very high91.4Very high31 Ų3168 Ų6832%0.3240%0.398SS..  trans76.79-178.500000115.7D292G281-D292 PolarHBondContact N-OD2 2.97Å
282K93.7Very high91.4Very high89 Ų8964.3 Ų64.339%0.38738%0.381SS..  trans-75.3149.9-178.6-64.1179.2-172.4176.90111.6T280 E286 D287 D292 R296T280-K282 VanDerWaalsContact C-N 3.32Å; T280-K282 PolarHBondContact O-N 3.43Å; T280-K282 WeakPolarHBondContact OG1-CG 3.44Å; K282-E286 HydrophobicContact CB-CB 4.1Å; K282-E286 HydrophobicContact CD-CB 4.43Å; K282-E286 WeakPolarHBondContact CD-O 3.37Å; K282-E286 HydrophobicContact CG-CB 4.34Å; K282-D287 HydrophobicContact CB-CB 4.03Å; K282-D292 PolarHBondContact N-OD2 2.87Å; K282-D292 WeakPolarHBondContact O-CB 3.49Å; K282-R296 PolarHBondContact O-NH1 2.69Å; K282-R296 PolarHBondContact O-NH2 3.31Å
283V90.4Very high91.4Very high52 Ų5261.5 Ų61.532%0.31535%0.354SS..  trans-135158.9-179-65.80000111.5V92 V285 E286V92-V283 HydrophobicContact CG1-CG1 3.67Å; V283-V285 PolarHBondContact O-N 2.94Å; V283-E286 WeakPolarHBondContact O-CB 3.5Å; V283-E286 PolarHBondContact O-N 3.17Å
284G86.7Confident91.4Very high44 Ų4459.5 Ų59.545%0.45433%0.333SS..THydrogen-bonded Turntrans56.9-118.7171.500000114.2K290G284-K290 PolarHBondContact O-NZ 3.13Å
285V86.7Confident91.6Very high135 Ų13558.9 Ų58.982%0.81833%0.329SS*.THydrogen-bonded Turntrans-77-20.9-178.6-64.60000113.4V283V283-V285 PolarHBondContact O-N 2.94Å
286E91.6Very high92.2Very high127 Ų12751.4 Ų51.459%0.59329%0.289SS*.THydrogen-bonded Turntrans-77.6-29.7179.1-59.7-174.6165.900111.8K282 V283 T288K282-E286 HydrophobicContact CB-CB 4.1Å; K282-E286 HydrophobicContact CD-CB 4.43Å; K282-E286 WeakPolarHBondContact CD-O 3.37Å; K282-E286 HydrophobicContact CG-CB 4.34Å; V283-E286 WeakPolarHBondContact O-CB 3.5Å; V283-E286 PolarHBondContact O-N 3.17Å; E286-T288 VanDerWaalsContact C-N 3.26Å; E286-T288 PolarHBondContact O-N 3.14Å
287D91.5Very high92.4Very high1 Ų150.4 Ų50.41%0.00528%0.283CS..  trans-83.269.8173.5-170.228.6000110.1R277 K282 D289 K290 I291 D292 M293R277-D287 IonicContact NH2-OD1 2.78Å; R277-D287 PolarHBondContact NH2-OD1 3.17Å; K282-D287 HydrophobicContact CB-CB 4.03Å; D287-D289 VanDerWaalsContact C-N 3.3Å; D287-D289 PolarHBondContact O-N 3.1Å; D287-K290 WeakPolarHBondContact O-CD 3.42Å; D287-K290 PolarHBondContact O-N 3.19Å; D287-K290 VanDerWaalsContact OD2-CA 3.3Å; D287-K290 WeakPolarHBondContact OD2-CA 3.4Å; D287-I291 PolarHBondContact OD1-N 3.45Å; D287-D292 PolarHBondContact OD1-N 2.79Å; D287-D292 VanDerWaalsContact OD1-N 3.1Å; D287-D292 PolarHBondContact OD2-N 3.4Å; D287-M293 WeakPolarHBondContact OD2-CB 3.31Å; D287-M293 PolarHBondContact OD2-N 3.31Å
288T87.8Confident92.5Very high120 Ų12047 Ų4774%0.73627%0.27SS*.THydrogen-bonded Turntrans-64-32.3-171.352.10000113.7E286E286-T288 VanDerWaalsContact C-N 3.26Å; E286-T288 PolarHBondContact O-N 3.14Å
289D89.1Confident92.7Very high72 Ų7243.7 Ų43.739%0.38525%0.249SC..THydrogen-bonded Turntrans-95.5-1.6178.760.17.6000113.3R277 D287 I291R277-D289 IonicContact CZ-OD1 3.73Å; R277-D289 IonicContact CZ-OD2 3.67Å; R277-D289 IonicContact NE-OD1 3.79Å; R277-D289 IonicContact NE-OD2 3.98Å; R277-D289 PolarHBondContact NE-OD2 3.09Å; R277-D289 IonicContact NH2-OD1 3.88Å; R277-D289 PolarHBondContact NH2-OD1 3.46Å; R277-D289 IonicContact NH2-OD2 3.48Å; R277-D289 PolarHBondContact NH2-OD2 3.21Å; D287-D289 VanDerWaalsContact C-N 3.3Å; D287-D289 PolarHBondContact O-N 3.1Å; D289-I291 HydrophobicContact CB-CG1 3.98Å; D289-I291 PolarHBondContact O-N 3.17Å; D289-I291 WeakPolarHBondContact OD1-CB 3.36Å; D289-I291 WeakPolarHBondContact OD1-CG1 3.31Å; D289-I291 PolarHBondContact OD1-N 3.13Å
290K90.1Very high92.8Very high84 Ų8441.7 Ų41.737%0.36524%0.241SC..SBendtrans62.115.6-180-55.8-61.8174.5-165.40114.7G284 D287 M293 A294G284-K290 PolarHBondContact O-NZ 3.13Å; D287-K290 WeakPolarHBondContact O-CD 3.42Å; D287-K290 PolarHBondContact O-N 3.19Å; D287-K290 VanDerWaalsContact OD2-CA 3.3Å; D287-K290 WeakPolarHBondContact OD2-CA 3.4Å; K290-M293 HydrophobicContact CB-CE 4.04Å; K290-M293 HydrophobicContact CD-CE 4.1Å; K290-M293 HydrophobicContact CG-CE 4.34Å; K290-A294 WeakPolarHBondContact O-CB 3.26Å; K290-A294 PolarHBondContact O-N 3.49Å; K290-A294 VanDerWaalsContact O-N 3.1Å
291I94.4Very high92.9Very high17 Ų1738.1 Ų38.19%0.08722%0.219CC..Hα-helixtrans-71.6-42.1-177.4-66.8-63000110.3T276 R277 D287 D289 M293 A294 Y295 V338 L339T276-I291 HydrophobicContact CG2-CB 4.48Å; T276-I291 HydrophobicContact CG2-CD1 3.89Å; T276-I291 HydrophobicContact CG2-CG1 4.28Å; T276-I291 HydrophobicContact CG2-CG2 3.43Å; T276-I291 VanDerWaalsContact CG2-CG2 3.43Å; R277-I291 HydrophobicContact CG-CG2 4.07Å; D287-I291 PolarHBondContact OD1-N 3.45Å; D289-I291 HydrophobicContact CB-CG1 3.98Å; D289-I291 PolarHBondContact O-N 3.17Å; D289-I291 WeakPolarHBondContact OD1-CB 3.36Å; D289-I291 WeakPolarHBondContact OD1-CG1 3.31Å; D289-I291 PolarHBondContact OD1-N 3.13Å; I291-M293 VanDerWaalsContact C-N 3.33Å; I291-M293 PolarHBondContact O-N 3.06Å; I291-A294 WeakPolarHBondContact O-CB 3.46Å; I291-A294 PolarHBondContact O-N 2.77Å; I291-Y295 HydrophobicContact CG2-CD2 3.72Å; I291-Y295 HydrophobicContact CG2-CE2 3.49Å; I291-Y295 VanDerWaalsContact CG2-CE2 3.49Å; I291-Y295 VanDerWaalsContact O-CD2 3.24Å; I291-Y295 WeakPolarHBondContact O-CD2 3.43Å; I291-Y295 PolarHBondContact O-N 3.35Å; I291-V338 HydrophobicContact CD1-CG1 4.09Å; I291-L339 HydrophobicContact CD1-CD2 4.18Å; I291-L339 HydrophobicContact CG2-CD2 4.15Å
292D94.8Very high93.1Very high0 Ų036.8 Ų36.80%021%0.205CC..Hα-helixtrans-67.3-37.2-178.3-73.513.9000111.3R277 Y279 T280 G281 K282 D287 A294 Y295 R296R277-D292 IonicContact CZ-OD1 3.72Å; R277-D292 IonicContact NH1-OD1 3.29Å; R277-D292 PolarHBondContact NH1-OD1 2.93Å; R277-D292 IonicContact NH2-OD1 2.66Å; R277-D292 PolarHBondContact NH2-OD1 3.31Å; R277-D292 VanDerWaalsContact NH2-OD1 3.09Å; Y279-D292 HydrophobicContact CD2-CB 3.9Å; Y279-D292 HydrophobicContact CE2-CB 3.82Å; T280-D292 VanDerWaalsContact CA-OD2 3.29Å; T280-D292 WeakPolarHBondContact CA-OD2 3.47Å; T280-D292 WeakPolarHBondContact CB-OD2 3.37Å; T280-D292 PolarHBondContact N-OD1 3.5Å; T280-D292 PolarHBondContact N-OD2 3.48Å; T280-D292 PolarHBondContact OG1-OD1 3.03Å; T280-D292 PolarHBondContact OG1-OD2 3Å; G281-D292 PolarHBondContact N-OD2 2.97Å; K282-D292 PolarHBondContact N-OD2 2.87Å; K282-D292 WeakPolarHBondContact O-CB 3.49Å; D287-D292 PolarHBondContact OD1-N 2.79Å; D287-D292 VanDerWaalsContact OD1-N 3.1Å; D287-D292 PolarHBondContact OD2-N 3.4Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-Y295 PolarHBondContact O-N 2.78Å; D292-R296 WeakPolarHBondContact O-CG 3.3Å; D292-R296 PolarHBondContact O-N 2.66Å; D292-R296 VanDerWaalsContact O-N 3.15Å
293M93.4Very high93.3Very high28 Ų2832.7 Ų32.714%0.13819%0.187CC..Hα-helixtrans-59-44.6169.1179.4176.381.400111.7G89 D287 K290 I291 Y295 R296 V297 F334G89-M293 WeakPolarHBondContact O-CG 3.46Å; D287-M293 WeakPolarHBondContact OD2-CB 3.31Å; D287-M293 PolarHBondContact OD2-N 3.31Å; K290-M293 HydrophobicContact CB-CE 4.04Å; K290-M293 HydrophobicContact CD-CE 4.1Å; K290-M293 HydrophobicContact CG-CE 4.34Å; I291-M293 VanDerWaalsContact C-N 3.33Å; I291-M293 PolarHBondContact O-N 3.06Å; M293-Y295 PolarHBondContact O-N 2.99Å; M293-R296 PolarHBondContact O-N 3.03Å; M293-V297 HydrophobicContact CG-CG2 4.39Å; M293-V297 WeakPolarHBondContact O-CG2 3.46Å; M293-V297 PolarHBondContact O-N 2.86Å; M293-F334 HydrophobicContact CE-CE1 3.62Å; M293-F334 HydrophobicContact CE-CZ 3.85Å
294A93.7Very high93.6Very high0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-64.1-39.8179.400000112.6K290 I291 D292 L298 F334 V338 L339K290-A294 WeakPolarHBondContact O-CB 3.26Å; K290-A294 PolarHBondContact O-N 3.49Å; K290-A294 VanDerWaalsContact O-N 3.1Å; I291-A294 WeakPolarHBondContact O-CB 3.46Å; I291-A294 PolarHBondContact O-N 2.77Å; D292-A294 VanDerWaalsContact C-N 3.34Å; A294-L298 WeakPolarHBondContact O-CB 3.27Å; A294-L298 PolarHBondContact O-N 3.33Å; A294-F334 HydrophobicContact CB-CB 4.33Å; A294-F334 HydrophobicContact CB-CD1 3.59Å; A294-F334 HydrophobicContact CB-CE1 4.36Å; A294-F334 HydrophobicContact CB-CG 4.37Å; A294-V338 HydrophobicContact CB-CB 4.15Å; A294-V338 HydrophobicContact CB-CG1 3.64Å; A294-L339 HydrophobicContact CB-CD1 4Å; A294-L339 HydrophobicContact CB-CD2 3.91Å; A294-L339 HydrophobicContact CB-CG 3.76Å
295Y96.6Very high94.1Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-55.5-52.6171.1-87.8-84.2000110.9F267 I270 E271 T276 R277 Y279 I291 D292 M293 L298 A299 L339F267-Y295 HydrophobicContact CB-CD1 4.13Å; F267-Y295 HydrophobicContact CB-CE1 4.45Å; F267-Y295 AromaticContact CD1-CD1 3.87Å; F267-Y295 HydrophobicContact CD1-CD1 3.87Å; F267-Y295 HydrophobicContact CD1-CG 4.47Å; F267-Y295 WeakPolarHBondContact CE1-O 3.42Å; F267-Y295 HydrophobicContact CG-CD1 4.14Å; F267-Y295 WeakPolarHBondContact O-CE1 3.15Å; I270-Y295 HydrophobicContact CB-CD1 3.9Å; I270-Y295 HydrophobicContact CB-CE1 3.63Å; I270-Y295 HydrophobicContact CD1-CD1 4.18Å; I270-Y295 HydrophobicContact CG2-CD1 3.61Å; I270-Y295 HydrophobicContact CG2-CE1 3.33Å; I270-Y295 HydrophobicContact CG2-CG 4.45Å; E271-Y295 WeakPolarHBondContact CA-OH 3.13Å; E271-Y295 HydrophobicContact CB-CE1 4.48Å; T276-Y295 HydrophobicContact CG2-CE2 4.14Å; R277-Y295 WeakPolarHBondContact O-CE2 3.41Å; R277-Y295 PolarHBondContact O-OH 2.84Å; Y279-Y295 HydrophobicContact CD2-CD2 4.35Å; Y279-Y295 HydrophobicContact CD2-CG 4.16Å; I291-Y295 HydrophobicContact CG2-CD2 3.72Å; I291-Y295 HydrophobicContact CG2-CE2 3.49Å; I291-Y295 VanDerWaalsContact CG2-CE2 3.49Å; I291-Y295 VanDerWaalsContact O-CD2 3.24Å; I291-Y295 WeakPolarHBondContact O-CD2 3.43Å; I291-Y295 PolarHBondContact O-N 3.35Å; D292-Y295 PolarHBondContact O-N 2.78Å; M293-Y295 PolarHBondContact O-N 2.99Å; Y295-L298 PolarHBondContact O-N 2.86Å; Y295-A299 WeakPolarHBondContact O-CB 3.25Å; Y295-A299 PolarHBondContact O-N 3.34Å; Y295-L339 HydrophobicContact CD2-CD2 4.18Å; Y295-L339 HydrophobicContact CE2-CD2 4.12Å
296R96.4Very high94.6Very high1 Ų121.9 Ų21.90%0.00411%0.113CC..Hα-helixtrans-59.8-49.2-179.1-70.2-172.9-67.3-89-2.3112.4G89 Y258 F267 Y279 K282 D292 M293 D300G89-R296 PolarHBondContact O-NE 3.03Å; G89-R296 PolarHBondContact O-NH2 3.05Å; Y258-R296 HydrophobicContact CD1-CB 4.01Å; Y258-R296 HydrophobicContact CD1-CG 3.81Å; Y258-R296 VanDerWaalsContact CD2-CD 3.44Å; Y258-R296 HydrophobicContact CD2-CG 3.88Å; Y258-R296 HydrophobicContact CE1-CB 3.84Å; Y258-R296 HydrophobicContact CE1-CG 4.1Å; Y258-R296 HydrophobicContact CE2-CB 4.41Å; Y258-R296 HydrophobicContact CE2-CG 4.2Å; Y258-R296 HydrophobicContact CG-CB 4.34Å; Y258-R296 HydrophobicContact CG-CG 3.68Å; F267-R296 HydrophobicContact CZ-CG 4.24Å; Y279-R296 HydrophobicContact CE2-CG 4.07Å; K282-R296 PolarHBondContact O-NH1 2.69Å; K282-R296 PolarHBondContact O-NH2 3.31Å; D292-R296 WeakPolarHBondContact O-CG 3.3Å; D292-R296 PolarHBondContact O-N 2.66Å; D292-R296 VanDerWaalsContact O-N 3.15Å; M293-R296 PolarHBondContact O-N 3.03Å; R296-D300 WeakPolarHBondContact O-CB 3.32Å; R296-D300 PolarHBondContact O-N 2.93Å
297V94.1Very high94.8Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-60.5-48178.7175.20000111.1V88 M293 H301 R330 F334V88-V297 WeakPolarHBondContact O-CG2 3.39Å; M293-V297 HydrophobicContact CG-CG2 4.39Å; M293-V297 WeakPolarHBondContact O-CG2 3.46Å; M293-V297 PolarHBondContact O-N 2.86Å; V297-H301 VanDerWaalsContact O-CB 3.22Å; V297-H301 WeakPolarHBondContact O-CB 3.24Å; V297-H301 VanDerWaalsContact O-CG 3.23Å; V297-H301 PolarHBondContact O-N 2.92Å; V297-H301 PolarHBondContact O-ND1 3.23Å; V297-R330 HydrophobicContact CG1-CG 4.05Å; V297-F334 HydrophobicContact CB-CD2 4.03Å; V297-F334 HydrophobicContact CB-CE2 4.3Å; V297-F334 HydrophobicContact CB-CG 4.32Å; V297-F334 HydrophobicContact CG1-CD2 3.5Å; V297-F334 VanDerWaalsContact CG1-CD2 3.5Å; V297-F334 HydrophobicContact CG1-CE2 3.87Å; V297-F334 HydrophobicContact CG1-CG 4.17Å; V297-F334 HydrophobicContact CG2-CD2 4.36Å; V297-F334 HydrophobicContact CG2-CE2 4.12Å; V297-F334 HydrophobicContact CG2-CZ 4.34Å
298L96.1Very high94.8Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-64.6-43.4-176.3-179.256.9000111.8I270 A294 Y295 A302 A331 A335 L339 F345 L346 L349I270-L298 HydrophobicContact CD1-CB 4.19Å; I270-L298 HydrophobicContact CD1-CD2 3.85Å; I270-L298 HydrophobicContact CD1-CG 3.95Å; I270-L298 HydrophobicContact CG1-CD2 3.9Å; I270-L298 HydrophobicContact CG1-CG 4.43Å; I270-L298 HydrophobicContact CG2-CD2 4.24Å; A294-L298 WeakPolarHBondContact O-CB 3.27Å; A294-L298 PolarHBondContact O-N 3.33Å; Y295-L298 PolarHBondContact O-N 2.86Å; L298-A302 VanDerWaalsContact O-CB 3.32Å; L298-A302 WeakPolarHBondContact O-CB 3.44Å; L298-A302 PolarHBondContact O-N 3.18Å; L298-A331 HydrophobicContact CD1-CB 4.32Å; L298-A335 HydrophobicContact CD1-CB 4.08Å; L298-A335 HydrophobicContact CD2-CB 4.1Å; L298-L339 HydrophobicContact CB-CD1 4.36Å; L298-L339 HydrophobicContact CD2-CD1 3.58Å; L298-F345 HydrophobicContact CD2-CE1 4.33Å; L298-L346 HydrophobicContact CD1-CD1 3.52Å; L298-L349 HydrophobicContact CD1-CD1 3.96Å; L298-L349 HydrophobicContact CD2-CD1 4.08Å; L298-L349 HydrophobicContact CG-CD1 3.71Å
299A97.2Very high94.8Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-68-44.9179.500000112.6F263 L266 F267 I270 Y295 A302 R303F263-A299 HydrophobicContact CD1-CB 4.08Å; L266-A299 HydrophobicContact CB-CB 3.94Å; L266-A299 HydrophobicContact CD1-CB 3.98Å; F267-A299 HydrophobicContact CD1-CB 3.94Å; F267-A299 HydrophobicContact CE1-CB 3.46Å; F267-A299 VanDerWaalsContact CE1-CB 3.46Å; F267-A299 HydrophobicContact CZ-CB 4.49Å; I270-A299 HydrophobicContact CD1-CB 4.37Å; Y295-A299 WeakPolarHBondContact O-CB 3.25Å; Y295-A299 PolarHBondContact O-N 3.34Å; A299-A302 PolarHBondContact O-N 3.15Å; A299-R303 WeakPolarHBondContact O-CG 3.42Å; A299-R303 PolarHBondContact O-N 2.99Å
300D97.2Very high94.8Very high0 Ų08.2 Ų8.20%05%0.045CC..Hα-helixtrans-59.3-48.5174.4172.191.5000111.2V88 H95 T96 Y258 R296 A302 R303 V304V88-D300 HydrophobicContact CG1-CB 3.82Å; V88-D300 WeakPolarHBondContact CG1-OD2 3.46Å; H95-D300 VanDerWaalsContact CA-OD1 3.24Å; H95-D300 WeakPolarHBondContact CA-OD1 3.47Å; H95-D300 WeakPolarHBondContact CB-OD1 3.42Å; H95-D300 IonicContact CG-OD1 3.6Å; H95-D300 IonicContact ND1-OD1 2.74Å; T96-D300 WeakPolarHBondContact CB-OD2 3.34Å; T96-D300 WeakPolarHBondContact CG2-OD2 3.01Å; T96-D300 PolarHBondContact N-OD1 3.48Å; T96-D300 PolarHBondContact N-OD2 3.33Å; T96-D300 PolarHBondContact OG1-OD2 2.86Å; Y258-D300 HydrophobicContact CE1-CB 4.35Å; R296-D300 WeakPolarHBondContact O-CB 3.32Å; R296-D300 PolarHBondContact O-N 2.93Å; D300-A302 VanDerWaalsContact C-N 3.34Å; D300-A302 PolarHBondContact O-N 3.27Å; D300-R303 WeakPolarHBondContact O-CB 3.41Å; D300-R303 PolarHBondContact O-N 3.06Å; D300-R303 VanDerWaalsContact O-N 3.1Å; D300-V304 PolarHBondContact O-N 3.1Å; D300-V304 VanDerWaalsContact O-N 3.09Å
301H96.2Very high94.6Very high0 Ų05 Ų50%03%0.032CC..Hα-helixtrans-68.5-33.1-177.1-71.214.5000112.4V297 R303 V304 L305 I327 R330 A331V297-H301 VanDerWaalsContact O-CB 3.22Å; V297-H301 WeakPolarHBondContact O-CB 3.24Å; V297-H301 VanDerWaalsContact O-CG 3.23Å; V297-H301 PolarHBondContact O-N 2.92Å; V297-H301 PolarHBondContact O-ND1 3.23Å; H301-R303 VanDerWaalsContact C-N 3.31Å; H301-R303 PolarHBondContact O-N 2.87Å; H301-V304 VanDerWaalsContact O-CG1 3.29Å; H301-V304 WeakPolarHBondContact O-CG1 3.47Å; H301-L305 VanDerWaalsContact O-CB 3.27Å; H301-L305 WeakPolarHBondContact O-CB 3.11Å; H301-L305 WeakPolarHBondContact O-CD1 3.32Å; H301-L305 WeakPolarHBondContact O-CG 3.11Å; H301-L305 PolarHBondContact O-N 3.2Å; H301-I327 HydrophobicContact CB-CG2 3.83Å; H301-I327 PolarHBondContact CD2-O 2.84Å; H301-I327 VanDerWaalsContact CD2-O 3.26Å; H301-R330 WeakPolarHBondContact NE2-CD 3.44Å; H301-A331 HydrophobicContact CB-CB 3.7Å
302A97.7Very high93.9Very high3 Ų36 Ų63%0.0255%0.047CC..Hα-helixtrans-60.7-40.9171.300000111.8L298 A299 D300 T306 L346 L349 V353L298-A302 VanDerWaalsContact O-CB 3.32Å; L298-A302 WeakPolarHBondContact O-CB 3.44Å; L298-A302 PolarHBondContact O-N 3.18Å; A299-A302 PolarHBondContact O-N 3.15Å; D300-A302 VanDerWaalsContact C-N 3.34Å; D300-A302 PolarHBondContact O-N 3.27Å; A302-T306 WeakPolarHBondContact O-CB 3.43Å; A302-T306 PolarHBondContact O-N 2.66Å; A302-T306 VanDerWaalsContact O-N 3.09Å; A302-T306 PolarHBondContact O-OG1 3.02Å; A302-L346 HydrophobicContact CB-CD1 4.47Å; A302-L349 HydrophobicContact CB-CB 3.82Å; A302-L349 HydrophobicContact CB-CD1 3.98Å; A302-V353 HydrophobicContact CB-CG2 4.31Å
303R97.7Very high93Very high3 Ų36.2 Ų6.21%0.0115%0.049CC..Hα-helixtrans-63.2-54.1176.9-68.8177.267.4-158.1-3.9111.7F97 E245 L266 A299 D300 H301 L305 T306 I307 V353F97-R303 HydrophobicContact CD1-CB 4.03Å; E245-R303 IonicContact OE1-CZ 2.9Å; E245-R303 IonicContact OE1-NH1 3.43Å; E245-R303 PolarHBondContact OE1-NH1 2.95Å; E245-R303 IonicContact OE1-NH2 3.58Å; E245-R303 PolarHBondContact OE1-NH2 3.43Å; L266-R303 HydrophobicContact CD1-CG 3.99Å; A299-R303 WeakPolarHBondContact O-CG 3.42Å; A299-R303 PolarHBondContact O-N 2.99Å; D300-R303 WeakPolarHBondContact O-CB 3.41Å; D300-R303 PolarHBondContact O-N 3.06Å; D300-R303 VanDerWaalsContact O-N 3.1Å; H301-R303 VanDerWaalsContact C-N 3.31Å; H301-R303 PolarHBondContact O-N 2.87Å; R303-L305 VanDerWaalsContact C-N 3.34Å; R303-L305 PolarHBondContact O-N 2.84Å; R303-T306 PolarHBondContact O-N 3.12Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.12Å; R303-V353 HydrophobicContact CG-CG1 4.41Å; R303-V353 HydrophobicContact CG-CG2 4.04Å
304V96.8Very high92.4Very high3 Ų37.1 Ų7.12%0.0185%0.051CC..Hα-helixtrans-63.9-37-17967.90000112.5I76 T96 F97 D300 H301 I307 A308 I327I76-V304 HydrophobicContact CD1-CG2 3.69Å; I76-V304 HydrophobicContact CG1-CG2 3.91Å; I76-V304 HydrophobicContact CG2-CG2 4.1Å; T96-V304 WeakPolarHBondContact OG1-CB 3.29Å; T96-V304 VanDerWaalsContact OG1-CG1 3.25Å; T96-V304 WeakPolarHBondContact OG1-CG1 3.28Å; F97-V304 HydrophobicContact CB-CB 3.51Å; F97-V304 HydrophobicContact CB-CG2 3.85Å; D300-V304 PolarHBondContact O-N 3.1Å; D300-V304 VanDerWaalsContact O-N 3.09Å; H301-V304 VanDerWaalsContact O-CG1 3.29Å; H301-V304 WeakPolarHBondContact O-CG1 3.47Å; V304-I307 PolarHBondContact O-N 2.99Å; V304-A308 WeakPolarHBondContact O-CB 3.27Å; V304-A308 PolarHBondContact O-N 3.46Å; V304-I327 HydrophobicContact CG1-CD1 4.13Å; V304-I327 HydrophobicContact CG1-CG2 3.5Å; V304-I327 HydrophobicContact CG2-CD1 4.18Å
305L96.8Very high91.5Very high1 Ų17.6 Ų7.61%0.0055%0.054CC..Hα-helixtrans-66.5-44.1178.6-71.1168000110.9H301 R303 I307 L309 I324 I327 L328 A331 L346 I375H301-L305 VanDerWaalsContact O-CB 3.27Å; H301-L305 WeakPolarHBondContact O-CB 3.11Å; H301-L305 WeakPolarHBondContact O-CD1 3.32Å; H301-L305 WeakPolarHBondContact O-CG 3.11Å; H301-L305 PolarHBondContact O-N 3.2Å; R303-L305 VanDerWaalsContact C-N 3.34Å; R303-L305 PolarHBondContact O-N 2.84Å; L305-I307 VanDerWaalsContact C-N 3.35Å; L305-I307 PolarHBondContact O-N 3.22Å; L305-L309 WeakPolarHBondContact O-CB 3.12Å; L305-L309 WeakPolarHBondContact O-CG 3.18Å; L305-L309 PolarHBondContact O-N 3.03Å; L305-I324 HydrophobicContact CD2-CG2 4.04Å; L305-I327 HydrophobicContact CD1-CG2 4.48Å; L305-I327 HydrophobicContact CD2-CB 4.48Å; L305-I327 HydrophobicContact CD2-CG2 4.07Å; L305-I327 HydrophobicContact CG-CG2 4.03Å; L305-L328 HydrophobicContact CD1-CB 4.15Å; L305-L328 HydrophobicContact CD1-CG 4.24Å; L305-L328 HydrophobicContact CD2-CB 3.76Å; L305-L328 HydrophobicContact CD2-CD1 4.36Å; L305-L328 HydrophobicContact CD2-CG 4.34Å; L305-A331 HydrophobicContact CD1-CB 4.38Å; L305-L346 HydrophobicContact CD1-CD2 4.16Å; L305-I375 HydrophobicContact CB-CD1 4.4Å
306T97.5Very high89.9Confident0 Ų010.3 Ų10.30%07%0.067CC..Hα-helixtrans-59.5-47.5177-56.40000110.9A302 R303 G310 V350 V353 I364 I371A302-T306 WeakPolarHBondContact O-CB 3.43Å; A302-T306 PolarHBondContact O-N 2.66Å; A302-T306 VanDerWaalsContact O-N 3.09Å; A302-T306 PolarHBondContact O-OG1 3.02Å; R303-T306 PolarHBondContact O-N 3.12Å; T306-G310 PolarHBondContact O-N 3.46Å; T306-V350 HydrophobicContact CG2-CG1 4.08Å; T306-V353 HydrophobicContact CG2-CB 4.15Å; T306-V353 HydrophobicContact CG2-CG1 3.75Å; T306-I364 HydrophobicContact CG2-CB 4.12Å; T306-I364 HydrophobicContact CG2-CD1 3.97Å; T306-I364 HydrophobicContact CG2-CG2 4.18Å; T306-I371 HydrophobicContact CG2-CD1 4.47Å
307I96.2Very high88.2Confident0 Ų016 Ų160%010%0.098CC..Hα-helixtrans-65.4-53.6179.1-67.5-73.5000111.5T31 K74 F97 R303 V304 L305 L309 G310 D311 L357 F361 I364T31-I307 HydrophobicContact CG2-CG2 3.59Å; K74-I307 HydrophobicContact CB-CG2 4.45Å; K74-I307 HydrophobicContact CD-CD1 3.99Å; K74-I307 HydrophobicContact CD-CG2 3.88Å; K74-I307 HydrophobicContact CG-CG2 4.41Å; F97-I307 HydrophobicContact CD1-CG1 4.33Å; F97-I307 HydrophobicContact CD2-CB 4.29Å; F97-I307 HydrophobicContact CD2-CG1 4.2Å; F97-I307 HydrophobicContact CD2-CG2 4.03Å; F97-I307 HydrophobicContact CE1-CD1 4.46Å; F97-I307 HydrophobicContact CE1-CG1 3.96Å; F97-I307 HydrophobicContact CE2-CB 4.22Å; F97-I307 HydrophobicContact CE2-CD1 4.24Å; F97-I307 HydrophobicContact CE2-CG1 3.83Å; F97-I307 HydrophobicContact CE2-CG2 3.81Å; F97-I307 HydrophobicContact CG-CG1 4.44Å; F97-I307 HydrophobicContact CZ-CD1 3.91Å; F97-I307 HydrophobicContact CZ-CG1 3.7Å; F97-I307 HydrophobicContact CZ-CG2 4.5Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.12Å; V304-I307 PolarHBondContact O-N 2.99Å; L305-I307 VanDerWaalsContact C-N 3.35Å; L305-I307 PolarHBondContact O-N 3.22Å; I307-L309 PolarHBondContact O-N 3.31Å; I307-G310 PolarHBondContact O-N 2.86Å; I307-D311 WeakPolarHBondContact O-CB 3.37Å; I307-D311 PolarHBondContact O-N 3.29Å; I307-L357 HydrophobicContact CD1-CD1 4.35Å; I307-L357 HydrophobicContact CG1-CD1 4.46Å; I307-F361 HydrophobicContact CD1-CB 4.36Å; I307-F361 HydrophobicContact CD1-CD2 3.95Å; I307-F361 HydrophobicContact CD1-CG 4.35Å; I307-I364 HydrophobicContact CD1-CG2 4.03Å
308A91.1Very high86.5Confident2 Ų220.8 Ų20.82%0.01713%0.127CC..Hα-helixtrans-64.9-38.1-174.700000112.3I76 V304 G313 I324I76-A308 HydrophobicContact CD1-CB 3.9Å; V304-A308 WeakPolarHBondContact O-CB 3.27Å; V304-A308 PolarHBondContact O-N 3.46Å; A308-G313 WeakPolarHBondContact O-CA 3.39Å; A308-G313 PolarHBondContact O-N 3.07Å; A308-I324 HydrophobicContact CB-CD1 4.08Å; A308-I324 HydrophobicContact CB-CG1 4.26Å
309L88.6Confident84.9Confident7 Ų722.9 Ų22.94%0.03715%0.148CC..Hα-helixtrans-74.2-38.3177.1-64.1176.2000111.9L305 I307 D311 G312 G313 R314 I324 I371 L374 I375L305-L309 WeakPolarHBondContact O-CB 3.12Å; L305-L309 WeakPolarHBondContact O-CG 3.18Å; L305-L309 PolarHBondContact O-N 3.03Å; I307-L309 PolarHBondContact O-N 3.31Å; L309-D311 VanDerWaalsContact C-N 3.3Å; L309-D311 PolarHBondContact O-N 2.98Å; L309-G312 PolarHBondContact O-N 3.05Å; L309-G312 VanDerWaalsContact O-N 3.08Å; L309-G313 WeakPolarHBondContact CD2-O 3.4Å; L309-R314 PolarHBondContact O-NH1 3.26Å; L309-I324 HydrophobicContact CD2-CG2 4.05Å; L309-I371 HydrophobicContact CB-CG1 4.44Å; L309-I371 HydrophobicContact CB-CG2 4.19Å; L309-I371 HydrophobicContact CD1-CG2 4.18Å; L309-L374 HydrophobicContact CD1-CB 4.28Å; L309-L374 HydrophobicContact CD2-CD1 4.47Å; L309-I375 HydrophobicContact CD1-CD1 4.19Å; L309-I375 HydrophobicContact CD1-CG1 3.62Å
310G88.5Confident83.9Confident24 Ų2426 Ų2625%0.24716%0.16CC..Hα-helixtrans-64.2-33.4174.100000113.1T306 I307 G312T306-G310 PolarHBondContact O-N 3.46Å; I307-G310 PolarHBondContact O-N 2.86Å; G310-G312 PolarHBondContact O-N 3.17Å
311D86.2Confident82.8Confident16 Ų1626 Ų269%0.08616%0.161CC..THydrogen-bonded Turntrans-76.45172.7-81.9-11.8000113.7S30 T31 K74 I307 L309S30-D311 WeakPolarHBondContact OG-CB 3.38Å; T31-D311 WeakPolarHBondContact CB-OD2 3.49Å; T31-D311 WeakPolarHBondContact CG2-OD2 3.26Å; T31-D311 PolarHBondContact N-OD2 3.42Å; T31-D311 PolarHBondContact OG1-OD2 3.34Å; K74-D311 IonicContact NZ-OD1 3.55Å; K74-D311 PolarHBondContact NZ-OD1 3.26Å; K74-D311 IonicContact NZ-OD2 2.74Å; I307-D311 WeakPolarHBondContact O-CB 3.37Å; I307-D311 PolarHBondContact O-N 3.29Å; L309-D311 VanDerWaalsContact C-N 3.3Å; L309-D311 PolarHBondContact O-N 2.98Å
312G78Confident81.7Confident39 Ų3928.8 Ų28.840%0.40217%0.171SC..THydrogen-bonded Turntrans94.73.1177.200000115L309 G310 R314L309-G312 PolarHBondContact O-N 3.05Å; L309-G312 VanDerWaalsContact O-N 3.08Å; G310-G312 PolarHBondContact O-N 3.17Å; G312-R314 PolarHBondContact O-NH1 3.25Å
313G77Confident80.9Confident3 Ų329.1 Ų29.13%0.03117%0.173CC..  trans-64.4152.1174.200000112.2A308 L309A308-G313 WeakPolarHBondContact O-CA 3.39Å; A308-G313 PolarHBondContact O-N 3.07Å; L309-G313 WeakPolarHBondContact CD2-O 3.4Å
314R80.7Confident80.4Confident48 Ų4829.1 Ų29.118%0.18117%0.173CC..  trans-140.2143.6179.4-60.3-66.3178.1-101.48.4109.6L309 G312 Q316 G321L309-R314 PolarHBondContact O-NH1 3.26Å; G312-R314 PolarHBondContact O-NH1 3.25Å; R314-Q316 PolarHBondContact O-N 2.79Å; R314-G321 WeakPolarHBondContact O-CA 3.39Å
315A75.5Confident79.8Confident9 Ų930.1 Ų30.17%0.07418%0.177CC..  trans-66.6123.6172.800000110.7G321 I324 R325 E378A315-G321 WeakPolarHBondContact CA-O 3.29Å; A315-I324 HydrophobicContact CB-CG2 4.47Å; A315-R325 HydrophobicContact CB-CB 4.06Å; A315-E378 HydrophobicContact CB-CG 4.24Å
316Q62.1Low79.1Confident58 Ų5832 Ų3227%0.27118%0.184SC..  trans-141.3174.8-176.6-60.1178.7-1.600110.9R314 G321 Y322 R325 S748R314-Q316 PolarHBondContact O-N 2.79Å; Q316-G321 VanDerWaalsContact N-C 3.32Å; Q316-G321 PolarHBondContact N-O 3.07Å; Q316-G321 CarbonylContact O-C 3.56Å; Q316-Y322 VanDerWaalsContact O-CA 3.22Å; Q316-Y322 WeakPolarHBondContact O-CA 3.42Å; Q316-Y322 PolarHBondContact O-N 3.39Å; Q316-R325 WeakPolarHBondContact O-CD 3.49Å; Q316-R325 PolarHBondContact O-NH1 2.74Å; Q316-S748 PolarHBondContact NE2-OG 2.77Å
317N60.1Low78.8Confident121 Ų12132.1 Ų32.165%0.64719%0.185SC*.SBendtrans-87.6-7.9178.5-76-38.1000113.6R325N317-R325 PolarHBondContact OD1-NH1 3.3Å
318T58.3Low78.6Confident99 Ų9932.2 Ų32.261%0.60719%0.185SC*.SBendtrans-139.6161.6-174.554.70000111.9G321 Y322T318-G321 PolarHBondContact O-N 3.21Å; T318-Y322 PolarHBondContact O-N 3.04Å
319G63.9Low78.5Confident44 Ų4433.3 Ų33.345%0.45419%0.189SC..Hα-helixtrans57.1-141.9173.600000114.5G321 Y322G319-G321 VanDerWaalsContact C-N 3.3Å; G319-G321 PolarHBondContact O-N 2.67Å; G319-Y322 WeakPolarHBondContact O-CB 3.39Å; G319-Y322 PolarHBondContact O-N 2.83Å
320R76.1Confident78.5Confident66 Ų6633.4 Ų33.425%0.24919%0.189CC..Hα-helixtrans-64.8-33.4179.471.5-170.172.1-163.7-2.7112.8L39 L40 F41 Y322 V323 I324L39-R320 PolarHBondContact O-NH2 3.24Å; L40-R320 HydrophobicContact CB-CB 4.19Å; L40-R320 HydrophobicContact CD2-CB 4.34Å; L40-R320 VanDerWaalsContact O-CZ 3.23Å; L40-R320 PolarHBondContact O-NE 2.96Å; L40-R320 PolarHBondContact O-NH1 3.14Å; F41-R320 HydrophobicContact CE1-CB 4.03Å; F41-R320 HydrophobicContact CE2-CB 4.04Å; F41-R320 HydrophobicContact CZ-CB 3.67Å; F41-R320 WeakPolarHBondContact CZ-O 3.43Å; R320-Y322 PolarHBondContact O-N 2.85Å; R320-V323 WeakPolarHBondContact O-CB 3.44Å; R320-V323 PolarHBondContact O-N 3.47Å; R320-V323 VanDerWaalsContact O-N 3.08Å; R320-I324 PolarHBondContact O-N 2.9Å; R320-I324 VanDerWaalsContact O-N 3.07Å
321G74Confident78.8Confident1 Ų132.3 Ų32.31%0.0118%0.177CC..Hα-helixtrans-66.5-2817700000113R314 A315 Q316 T318 G319 R325R314-G321 WeakPolarHBondContact O-CA 3.39Å; A315-G321 WeakPolarHBondContact CA-O 3.29Å; Q316-G321 VanDerWaalsContact N-C 3.32Å; Q316-G321 PolarHBondContact N-O 3.07Å; Q316-G321 CarbonylContact O-C 3.56Å; T318-G321 PolarHBondContact O-N 3.21Å; G319-G321 VanDerWaalsContact C-N 3.3Å; G319-G321 PolarHBondContact O-N 2.67Å; G321-R325 WeakPolarHBondContact O-CB 3.44Å; G321-R325 PolarHBondContact O-N 3.05Å
322Y72.7Confident79.1Confident57 Ų5731.5 Ų31.522%0.22417%0.173CC..Hα-helixtrans-64.9-41.2169.2169.3-99.1000112.7Q316 T318 G319 R320 R325 R326 Y419Q316-Y322 VanDerWaalsContact O-CA 3.22Å; Q316-Y322 WeakPolarHBondContact O-CA 3.42Å; Q316-Y322 PolarHBondContact O-N 3.39Å; T318-Y322 PolarHBondContact O-N 3.04Å; G319-Y322 WeakPolarHBondContact O-CB 3.39Å; G319-Y322 PolarHBondContact O-N 2.83Å; R320-Y322 PolarHBondContact O-N 2.85Å; Y322-R325 WeakPolarHBondContact O-CB 3.22Å; Y322-R325 PolarHBondContact O-N 2.87Å; Y322-R326 PolarHBondContact O-N 3.15Å; Y322-Y419 AromaticContact CE2-CE2 3.54Å; Y322-Y419 HydrophobicContact CE2-CE2 3.54Å; Y322-Y419 AromaticContact CE2-CZ 3.62Å; Y322-Y419 WeakPolarHBondContact CE2-OH 3.28Å; Y322-Y419 AromaticContact CZ-CE2 3.68Å; Y322-Y419 AromaticContact CZ-CZ 3.85Å; Y322-Y419 WeakPolarHBondContact OH-CE2 3.48Å; Y322-Y419 PolarHBondContact OH-OH 2.7Å
323V82Confident79.5Confident11 Ų1129.8 Ų29.87%0.06715%0.154CC..Hα-helixtrans-63-47.2175.3-179.20000110.8L40 F41 A78 R320 R325 R326 I327L40-V323 HydrophobicContact CD1-CG2 4.04Å; F41-V323 HydrophobicContact CE2-CB 3.76Å; F41-V323 HydrophobicContact CE2-CG1 3.81Å; F41-V323 HydrophobicContact CE2-CG2 4.17Å; F41-V323 HydrophobicContact CZ-CB 4.18Å; F41-V323 HydrophobicContact CZ-CG1 4.4Å; A78-V323 HydrophobicContact CB-CG1 3.6Å; A78-V323 VanDerWaalsContact O-CG1 3.27Å; A78-V323 WeakPolarHBondContact O-CG1 3.1Å; R320-V323 WeakPolarHBondContact O-CB 3.44Å; R320-V323 PolarHBondContact O-N 3.47Å; R320-V323 VanDerWaalsContact O-N 3.08Å; V323-R325 VanDerWaalsContact C-N 3.27Å; V323-R325 PolarHBondContact O-N 3.35Å; V323-R326 WeakPolarHBondContact O-CB 3.28Å; V323-R326 PolarHBondContact O-N 3.14Å; V323-I327 HydrophobicContact CG1-CD1 4.01Å; V323-I327 HydrophobicContact CG1-CG1 4.46Å; V323-I327 WeakPolarHBondContact O-CG1 3.35Å; V323-I327 PolarHBondContact O-N 3.15Å
324I87.3Confident80.2Confident3 Ų329.8 Ų29.82%0.01515%0.153CC..Hα-helixtrans-56.2-45.4176-64173.1000110.2F41 L305 A308 L309 A315 R320 R326 I327 L328F41-I324 HydrophobicContact CE1-CD1 4.25Å; F41-I324 HydrophobicContact CE1-CG1 4.22Å; F41-I324 HydrophobicContact CZ-CD1 4.33Å; F41-I324 HydrophobicContact CZ-CG1 3.89Å; L305-I324 HydrophobicContact CD2-CG2 4.04Å; A308-I324 HydrophobicContact CB-CD1 4.08Å; A308-I324 HydrophobicContact CB-CG1 4.26Å; L309-I324 HydrophobicContact CD2-CG2 4.05Å; A315-I324 HydrophobicContact CB-CG2 4.47Å; R320-I324 PolarHBondContact O-N 2.9Å; R320-I324 VanDerWaalsContact O-N 3.07Å; I324-R326 PolarHBondContact O-N 3.18Å; I324-I327 PolarHBondContact O-N 2.72Å; I324-L328 WeakPolarHBondContact O-CB 3.31Å; I324-L328 PolarHBondContact O-N 2.7Å
325R82.6Confident80.8Confident24 Ų2427.6 Ų27.69%0.09115%0.145CC..Hα-helixtrans-59.4-43.8175.7172.9168.4-81.6156.86.9112.1A315 Q316 N317 G321 Y322 V323 L328 R329 E378A315-R325 HydrophobicContact CB-CB 4.06Å; Q316-R325 WeakPolarHBondContact O-CD 3.49Å; Q316-R325 PolarHBondContact O-NH1 2.74Å; N317-R325 PolarHBondContact OD1-NH1 3.3Å; G321-R325 WeakPolarHBondContact O-CB 3.44Å; G321-R325 PolarHBondContact O-N 3.05Å; Y322-R325 WeakPolarHBondContact O-CB 3.22Å; Y322-R325 PolarHBondContact O-N 2.87Å; V323-R325 VanDerWaalsContact C-N 3.27Å; V323-R325 PolarHBondContact O-N 3.35Å; R325-L328 PolarHBondContact O-N 3.38Å; R325-R329 HydrophobicContact CG-CG 4.4Å; R325-R329 WeakPolarHBondContact O-CB 3.32Å; R325-R329 WeakPolarHBondContact O-CG 3.35Å; R325-R329 PolarHBondContact O-N 2.61Å; R325-E378 IonicContact CZ-OE1 3.39Å; R325-E378 IonicContact CZ-OE2 2.67Å; R325-E378 IonicContact NE-OE1 2.73Å; R325-E378 PolarHBondContact NE-OE1 2.96Å; R325-E378 IonicContact NE-OE2 2.97Å; R325-E378 PolarHBondContact NE-OE2 2.73Å; R325-E378 IonicContact NH2-OE1 3.05Å; R325-E378 IonicContact NH2-OE2 2.7Å; R325-E378 PolarHBondContact NH2-OE2 3.19Å
326R83.7Confident81.5Confident39 Ų3928.8 Ų28.815%0.14715%0.152CC..Hα-helixtrans-61.4-48.1178.3178174.2170.2-152.1-9.7111.5L85 D86 Y322 V323 I324 R329 R330 P425 D427L85-R326 HydrophobicContact CD2-CG 4.05Å; D86-R326 IonicContact OD1-NH2 3.11Å; D86-R326 PolarHBondContact OD1-NH2 3.47Å; D86-R326 IonicContact OD2-NH2 2.83Å; D86-R326 PolarHBondContact OD2-NH2 3.46Å; Y322-R326 PolarHBondContact O-N 3.15Å; V323-R326 WeakPolarHBondContact O-CB 3.28Å; V323-R326 PolarHBondContact O-N 3.14Å; I324-R326 PolarHBondContact O-N 3.18Å; R326-R329 PolarHBondContact O-N 3.46Å; R326-R330 WeakPolarHBondContact O-CB 3.41Å; R326-R330 PolarHBondContact O-N 3.28Å; R326-P425 HydrophobicContact CG-CB 3.92Å; R326-P425 HydrophobicContact CG-CG 4.25Å; R326-D427 IonicContact CZ-OD1 3.75Å; R326-D427 IonicContact NE-OD1 3.58Å; R326-D427 PolarHBondContact NE-OD1 3.29Å; R326-D427 IonicContact NE-OD2 3.88Å; R326-D427 VanDerWaalsContact NH2-CB 3.29Å; R326-D427 IonicContact NH2-OD1 3.93Å; R326-D427 IonicContact NH2-OD2 2.87Å
327I91Very high82.6Confident4 Ų429 Ų292%0.02115%0.153CC..Hα-helixtrans-58.8-49.5176.2-66.6170.7000110.7A78 L85 H301 V304 L305 V323 I324 R329 R330 A331A78-I327 HydrophobicContact CB-CD1 3.82Å; L85-I327 HydrophobicContact CD1-CG1 4.01Å; L85-I327 HydrophobicContact CD2-CG1 4.36Å; H301-I327 HydrophobicContact CB-CG2 3.83Å; H301-I327 PolarHBondContact CD2-O 2.84Å; H301-I327 VanDerWaalsContact CD2-O 3.26Å; V304-I327 HydrophobicContact CG1-CD1 4.13Å; V304-I327 HydrophobicContact CG1-CG2 3.5Å; V304-I327 HydrophobicContact CG2-CD1 4.18Å; L305-I327 HydrophobicContact CD1-CG2 4.48Å; L305-I327 HydrophobicContact CD2-CB 4.48Å; L305-I327 HydrophobicContact CD2-CG2 4.07Å; L305-I327 HydrophobicContact CG-CG2 4.03Å; V323-I327 HydrophobicContact CG1-CD1 4.01Å; V323-I327 HydrophobicContact CG1-CG1 4.46Å; V323-I327 WeakPolarHBondContact O-CG1 3.35Å; V323-I327 PolarHBondContact O-N 3.15Å; I324-I327 PolarHBondContact O-N 2.72Å; I327-R329 PolarHBondContact O-N 2.95Å; I327-R330 PolarHBondContact O-N 3.44Å; I327-A331 PolarHBondContact O-N 3.28Å
328L92.3Very high84Confident2 Ų224.5 Ų24.51%0.0113%0.13CC..Hα-helixtrans-58.3-48179.9-169.4158.1000111.4L305 I324 R325 R330 A331 V332 I375 E378L305-L328 HydrophobicContact CD1-CB 4.15Å; L305-L328 HydrophobicContact CD1-CG 4.24Å; L305-L328 HydrophobicContact CD2-CB 3.76Å; L305-L328 HydrophobicContact CD2-CD1 4.36Å; L305-L328 HydrophobicContact CD2-CG 4.34Å; I324-L328 WeakPolarHBondContact O-CB 3.31Å; I324-L328 PolarHBondContact O-N 2.7Å; R325-L328 PolarHBondContact O-N 3.38Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 3.47Å; L328-A331 WeakPolarHBondContact O-CB 3.37Å; L328-A331 PolarHBondContact O-N 3.07Å; L328-V332 HydrophobicContact CD2-CG2 3.75Å; L328-V332 WeakPolarHBondContact O-CG2 3.48Å; L328-V332 PolarHBondContact O-N 2.87Å; L328-I375 HydrophobicContact CD1-CG1 4.49Å; L328-E378 HydrophobicContact CD1-CB 3.75Å; L328-E378 HydrophobicContact CD1-CG 3.88Å; L328-E378 HydrophobicContact CD2-CB 3.92Å; L328-E378 HydrophobicContact CD2-CG 3.58Å; L328-E378 HydrophobicContact CG-CG 4.27Å
329R87.9Confident85.7Confident25 Ų2519.8 Ų19.89%0.09410%0.101CC..Hα-helixtrans-63.3-39179.5-71-178.5178.2-1700.6112.4R325 R326 I327 R333 E378 F382 G423 P425R325-R329 HydrophobicContact CG-CG 4.4Å; R325-R329 WeakPolarHBondContact O-CB 3.32Å; R325-R329 WeakPolarHBondContact O-CG 3.35Å; R325-R329 PolarHBondContact O-N 2.61Å; R326-R329 PolarHBondContact O-N 3.46Å; I327-R329 PolarHBondContact O-N 2.95Å; R329-R333 PolarHBondContact O-N 3.35Å; R329-R333 VanDerWaalsContact O-N 3.09Å; R329-E378 IonicContact CZ-OE1 2.61Å; R329-E378 IonicContact NE-OE1 3.74Å; R329-E378 PolarHBondContact NE-OE1 2.8Å; R329-E378 VanDerWaalsContact NE-OE1 3.08Å; R329-E378 IonicContact NH2-OE1 2.74Å; R329-E378 PolarHBondContact NH2-OE1 2.89Å; R329-F382 HydrophobicContact CB-CD1 3.94Å; R329-F382 HydrophobicContact CB-CD2 4.09Å; R329-F382 HydrophobicContact CB-CE1 3.73Å; R329-F382 HydrophobicContact CB-CE2 3.89Å; R329-F382 HydrophobicContact CB-CG 4.12Å; R329-F382 HydrophobicContact CB-CZ 3.7Å; R329-F382 VanDerWaalsContact CD-CD2 3.41Å; R329-F382 HydrophobicContact CG-CB 4.09Å; R329-F382 HydrophobicContact CG-CD1 3.84Å; R329-F382 HydrophobicContact CG-CD2 3.5Å; R329-F382 HydrophobicContact CG-CE1 4.1Å; R329-F382 HydrophobicContact CG-CE2 3.79Å; R329-F382 HydrophobicContact CG-CG 3.53Å; R329-F382 HydrophobicContact CG-CZ 4.08Å; R329-F382 WeakPolarHBondContact O-CE1 3.45Å; R329-G423 PolarHBondContact NH1-O 2.83Å; R329-P425 HydrophobicContact CB-CG 4.3Å
330R88.9Confident87.1Confident9 Ų923.4 Ų23.43%0.03411%0.109CC..Hα-helixtrans-62.4-45.4173.2-179.6167.8168.7173.6-11.8111.3L85 D86 V88 V297 H301 R326 I327 L328 R333 F334 D427L85-R330 PolarHBondContact O-NH1 3.33Å; L85-R330 PolarHBondContact O-NH2 3.18Å; D86-R330 IonicContact OD1-NH1 3.49Å; V88-R330 PolarHBondContact O-NH2 2.66Å; V297-R330 HydrophobicContact CG1-CG 4.05Å; H301-R330 WeakPolarHBondContact NE2-CD 3.44Å; R326-R330 WeakPolarHBondContact O-CB 3.41Å; R326-R330 PolarHBondContact O-N 3.28Å; I327-R330 PolarHBondContact O-N 3.44Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 3.47Å; R330-R333 PolarHBondContact O-N 3.19Å; R330-F334 HydrophobicContact CG-CD2 3.98Å; R330-F334 HydrophobicContact CG-CE2 3.91Å; R330-F334 VanDerWaalsContact O-CD2 3.32Å; R330-F334 WeakPolarHBondContact O-CD2 3.48Å; R330-F334 PolarHBondContact O-N 2.99Å; R330-F334 VanDerWaalsContact O-N 3.17Å; R330-D427 IonicContact NH1-OD2 3.58Å
331A93.9Very high87.9Confident0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-60.6-47.5176.900000112.4L298 H301 L305 I327 L328 R333 F334 A335 L346L298-A331 HydrophobicContact CD1-CB 4.32Å; H301-A331 HydrophobicContact CB-CB 3.7Å; L305-A331 HydrophobicContact CD1-CB 4.38Å; I327-A331 PolarHBondContact O-N 3.28Å; L328-A331 WeakPolarHBondContact O-CB 3.37Å; L328-A331 PolarHBondContact O-N 3.07Å; A331-R333 VanDerWaalsContact C-N 3.31Å; A331-R333 PolarHBondContact O-N 3.45Å; A331-F334 PolarHBondContact O-N 2.8Å; A331-A335 WeakPolarHBondContact O-CB 3.32Å; A331-A335 PolarHBondContact O-N 3.47Å; A331-L346 HydrophobicContact CB-CD1 4.02Å; A331-L346 HydrophobicContact CB-CD2 3.83Å
332V92.6Very high88.8Confident0 Ų028.6 Ų28.60%014%0.135CC..Hα-helixtrans-58.7-41.5178.2169.60000111.5L328 A335 V336 L346 E379 F382 L383L328-V332 HydrophobicContact CD2-CG2 3.75Å; L328-V332 WeakPolarHBondContact O-CG2 3.48Å; L328-V332 PolarHBondContact O-N 2.87Å; V332-A335 PolarHBondContact O-N 3.31Å; V332-V336 HydrophobicContact CG1-CG2 4.41Å; V332-V336 WeakPolarHBondContact O-CB 3.49Å; V332-V336 WeakPolarHBondContact O-CG2 3.49Å; V332-V336 PolarHBondContact O-N 2.79Å; V332-L346 HydrophobicContact CG2-CD2 3.75Å; V332-E379 HydrophobicContact CG1-CG 3.89Å; V332-E379 HydrophobicContact CG2-CB 3.82Å; V332-E379 HydrophobicContact CG2-CG 3.73Å; V332-F382 HydrophobicContact CB-CD1 3.97Å; V332-F382 HydrophobicContact CB-CE1 4.37Å; V332-F382 HydrophobicContact CG1-CD1 3.77Å; V332-F382 HydrophobicContact CG1-CE1 4.31Å; V332-L383 HydrophobicContact CG1-CD2 3.81Å; V332-L383 HydrophobicContact CG1-CG 4.12Å
333R87.5Confident89.6Confident3 Ų330.4 Ų30.41%0.01115%0.153CC..Hα-helixtrans-60.9-53.2175.4171.4178.6177.5-109.55.7111.8R329 R330 A331 A335 V336 E337 L428 I431 E435R329-R333 PolarHBondContact O-N 3.35Å; R329-R333 VanDerWaalsContact O-N 3.09Å; R330-R333 PolarHBondContact O-N 3.19Å; A331-R333 VanDerWaalsContact C-N 3.31Å; A331-R333 PolarHBondContact O-N 3.45Å; R333-A335 PolarHBondContact O-N 2.76Å; R333-V336 PolarHBondContact O-N 3.38Å; R333-E337 HydrophobicContact CG-CB 4.25Å; R333-E337 HydrophobicContact CG-CG 4.38Å; R333-E337 IonicContact NE-OE2 3.51Å; R333-E337 WeakPolarHBondContact O-CB 3.31Å; R333-E337 PolarHBondContact O-N 3.19Å; R333-L428 HydrophobicContact CG-CD1 4.36Å; R333-I431 VanDerWaalsContact NH1-CG2 3.32Å; R333-E435 IonicContact CZ-OE1 2.58Å; R333-E435 VanDerWaalsContact NH2-CD 3.3Å; R333-E435 IonicContact NH2-OE1 3.51Å; R333-E435 PolarHBondContact NH2-OE1 3.01Å; R333-E435 IonicContact NH2-OE2 2.71Å; R333-E435 PolarHBondContact NH2-OE2 3.37Å
334F91.1Very high90.1Very high3 Ų331 Ų311%0.01316%0.162CC..Iπ-helixtrans-62.2-37.8-176.9-82.8-74.8000111.2M293 A294 V297 R330 A331 V338 L339M293-F334 HydrophobicContact CE-CE1 3.62Å; M293-F334 HydrophobicContact CE-CZ 3.85Å; A294-F334 HydrophobicContact CB-CB 4.33Å; A294-F334 HydrophobicContact CB-CD1 3.59Å; A294-F334 HydrophobicContact CB-CE1 4.36Å; A294-F334 HydrophobicContact CB-CG 4.37Å; V297-F334 HydrophobicContact CB-CD2 4.03Å; V297-F334 HydrophobicContact CB-CE2 4.3Å; V297-F334 HydrophobicContact CB-CG 4.32Å; V297-F334 HydrophobicContact CG1-CD2 3.5Å; V297-F334 VanDerWaalsContact CG1-CD2 3.5Å; V297-F334 HydrophobicContact CG1-CE2 3.87Å; V297-F334 HydrophobicContact CG1-CG 4.17Å; V297-F334 HydrophobicContact CG2-CD2 4.36Å; V297-F334 HydrophobicContact CG2-CE2 4.12Å; V297-F334 HydrophobicContact CG2-CZ 4.34Å; R330-F334 HydrophobicContact CG-CD2 3.98Å; R330-F334 HydrophobicContact CG-CE2 3.91Å; R330-F334 VanDerWaalsContact O-CD2 3.32Å; R330-F334 WeakPolarHBondContact O-CD2 3.48Å; R330-F334 PolarHBondContact O-N 2.99Å; R330-F334 VanDerWaalsContact O-N 3.17Å; A331-F334 PolarHBondContact O-N 2.8Å; F334-V338 HydrophobicContact CD1-CB 4.19Å; F334-V338 HydrophobicContact CD1-CG2 3.82Å; F334-V338 HydrophobicContact CE1-CG2 4.28Å; F334-V338 WeakPolarHBondContact O-CB 3.39Å; F334-V338 PolarHBondContact O-N 2.87Å; F334-L339 WeakPolarHBondContact O-CG 3.25Å; F334-L339 PolarHBondContact O-N 3.34Å
335A93.5Very high90.6Very high1 Ų131.9 Ų31.91%0.00817%0.165CC..Iπ-helixtrans-60-54.7172.500000111.8L298 A331 V332 R333 L339 N340 A341L298-A335 HydrophobicContact CD1-CB 4.08Å; L298-A335 HydrophobicContact CD2-CB 4.1Å; A331-A335 WeakPolarHBondContact O-CB 3.32Å; A331-A335 PolarHBondContact O-N 3.47Å; V332-A335 PolarHBondContact O-N 3.31Å; R333-A335 PolarHBondContact O-N 2.76Å; A335-L339 CarbonylContact O-C 3.36Å; A335-N340 PolarHBondContact O-N 3.25Å; A335-N340 VanDerWaalsContact O-N 3.14Å; A335-A341 HydrophobicContact CB-CB 4Å; A335-A341 WeakPolarHBondContact O-CB 3.47Å; A335-A341 PolarHBondContact O-N 3.18Å
336V90.1Very high91.2Very high35 Ų3530.8 Ų30.821%0.21216%0.161CC..Iπ-helixtrans-86.3-44.1-168.2176.80000113.8V332 R333 L383V332-V336 HydrophobicContact CG1-CG2 4.41Å; V332-V336 WeakPolarHBondContact O-CB 3.49Å; V332-V336 WeakPolarHBondContact O-CG2 3.49Å; V332-V336 PolarHBondContact O-N 2.79Å; R333-V336 PolarHBondContact O-N 3.38Å; V336-L383 HydrophobicContact CB-CD2 4.33Å; V336-L383 HydrophobicContact CG1-CD2 4.13Å; V336-L383 HydrophobicContact CG2-CD2 4.08Å
337E85.7Confident91.9Very high62 Ų6229 Ų2929%0.2916%0.156SC..Iπ-helixtrans-88.5-26.7-174.9-65-165.3157.200113.7R333 L386 R390R333-E337 HydrophobicContact CG-CB 4.25Å; R333-E337 HydrophobicContact CG-CG 4.38Å; R333-E337 IonicContact NE-OE2 3.51Å; R333-E337 WeakPolarHBondContact O-CB 3.31Å; R333-E337 PolarHBondContact O-N 3.19Å; E337-L386 HydrophobicContact CG-CD2 4.22Å; E337-R390 IonicContact OE1-NH1 3.66Å; E337-R390 IonicContact OE2-NH1 3.3Å; E337-R390 PolarHBondContact OE2-NH1 3.3Å
338V89.4Confident92.1Very high27 Ų2731.8 Ų31.816%0.16417%0.172CC..Iπ-helixtrans-105.1-50.1-176-174.80000111.3I291 A294 F334I291-V338 HydrophobicContact CD1-CG1 4.09Å; A294-V338 HydrophobicContact CB-CB 4.15Å; A294-V338 HydrophobicContact CB-CG1 3.64Å; F334-V338 HydrophobicContact CD1-CB 4.19Å; F334-V338 HydrophobicContact CD1-CG2 3.82Å; F334-V338 HydrophobicContact CE1-CG2 4.28Å; F334-V338 WeakPolarHBondContact O-CB 3.39Å; F334-V338 PolarHBondContact O-N 2.87Å
339L94.3Very high92.4Very high0 Ų031.7 Ų31.70%017%0.172CC..SBendtrans-88.5-7.4-179.3-63.3168.6000113.3I270 T274 T276 I291 A294 Y295 L298 F334 A335 A341I270-L339 HydrophobicContact CG2-CD1 3.82Å; T274-L339 VanDerWaalsContact CB-O 3.26Å; T274-L339 WeakPolarHBondContact CB-O 3.48Å; T274-L339 HydrophobicContact CG2-CB 4.16Å; T276-L339 HydrophobicContact CG2-CD2 3.93Å; T276-L339 PolarHBondContact OG1-O 2.71Å; I291-L339 HydrophobicContact CD1-CD2 4.18Å; I291-L339 HydrophobicContact CG2-CD2 4.15Å; A294-L339 HydrophobicContact CB-CD1 4Å; A294-L339 HydrophobicContact CB-CD2 3.91Å; A294-L339 HydrophobicContact CB-CG 3.76Å; Y295-L339 HydrophobicContact CD2-CD2 4.18Å; Y295-L339 HydrophobicContact CE2-CD2 4.12Å; L298-L339 HydrophobicContact CB-CD1 4.36Å; L298-L339 HydrophobicContact CD2-CD1 3.58Å; F334-L339 WeakPolarHBondContact O-CG 3.25Å; F334-L339 PolarHBondContact O-N 3.34Å; A335-L339 CarbonylContact O-C 3.36Å; L339-A341 VanDerWaalsContact C-N 3.29Å; L339-A341 PolarHBondContact O-N 3.44Å
340N91.7Very high92.9Very high119 Ų11930.5 Ų30.564%0.63617%0.168SC*.  trans60.331.3-177.8-57.1-65.3000114.9A335A335-N340 PolarHBondContact O-N 3.25Å; A335-N340 VanDerWaalsContact O-N 3.14Å
341A93.7Very high93.3Very high7 Ų733.2 Ų33.26%0.05818%0.183CC..PPolyproline II helixtrans-65.2148.3172.900000111.8T274 A335 L339 F345T274-A341 HydrophobicContact CG2-CB 3.65Å; A335-A341 HydrophobicContact CB-CB 4Å; A335-A341 WeakPolarHBondContact O-CB 3.47Å; A335-A341 PolarHBondContact O-N 3.18Å; L339-A341 VanDerWaalsContact C-N 3.29Å; L339-A341 PolarHBondContact O-N 3.44Å; A341-F345 HydrophobicContact CB-CB 3.8Å; A341-F345 HydrophobicContact CB-CD1 3.64Å; A341-F345 HydrophobicContact CB-CG 3.85Å
342K92.6Very high93.4Very high169 Ų16934.2 Ų34.274%0.73519%0.188SC*.PPolyproline II helixtrans-74.7151.1171.6-66.4179.7-177.5173.30110.4G344 F345K342-G344 PolarHBondContact O-N 3.22Å; K342-F345 WeakPolarHBondContact O-CB 3.5Å; K342-F345 PolarHBondContact O-N 3Å; K342-F345 VanDerWaalsContact O-N 3.1Å
343P90.2Very high93.7Very high95 Ų9534.3 Ų34.362%0.61719%0.188SC*.THydrogen-bonded Turntrans-51.5135.8172.9-27.535.6000112.3F345 E379 L383P343-F345 VanDerWaalsContact C-N 3.35Å; P343-E379 VanDerWaalsContact CA-OE1 3.31Å; P343-E379 WeakPolarHBondContact CA-OE1 3.24Å; P343-L383 HydrophobicContact CB-CD1 3.85Å; P343-L383 HydrophobicContact CG-CD1 3.97Å
344G92.8Very high94.1Very high23 Ų2335.7 Ų35.724%0.23720%0.196CC..THydrogen-bonded Turntrans86.7-1.6-17700000114.7K342 L346 A347 N376 E379K342-G344 PolarHBondContact O-N 3.22Å; G344-L346 VanDerWaalsContact C-N 3.34Å; G344-L346 PolarHBondContact O-N 2.94Å; G344-A347 PolarHBondContact O-N 3.02Å; G344-N376 WeakPolarHBondContact CA-OD1 3.26Å; G344-E379 WeakPolarHBondContact CA-OE2 3.28Å; G344-E379 VanDerWaalsContact N-CD 3.31Å; G344-E379 PolarHBondContact N-OE1 2.89Å; G344-E379 PolarHBondContact N-OE2 3.33Å
345F96.4Very high94.3Very high22 Ų2242.4 Ų42.410%0.09623%0.227CC..Hα-helixtrans-64.9-35.2175.8-179.2-102.6000112.7I270 T274 L298 A341 K342 P343 A347 T348 L349I270-F345 HydrophobicContact CG1-CE1 4.25Å; T274-F345 HydrophobicContact CG2-CD1 4.19Å; T274-F345 HydrophobicContact CG2-CE1 3.88Å; T274-F345 HydrophobicContact CG2-CZ 4.24Å; L298-F345 HydrophobicContact CD2-CE1 4.33Å; A341-F345 HydrophobicContact CB-CB 3.8Å; A341-F345 HydrophobicContact CB-CD1 3.64Å; A341-F345 HydrophobicContact CB-CG 3.85Å; K342-F345 WeakPolarHBondContact O-CB 3.5Å; K342-F345 PolarHBondContact O-N 3Å; K342-F345 VanDerWaalsContact O-N 3.1Å; P343-F345 VanDerWaalsContact C-N 3.35Å; F345-A347 PolarHBondContact O-N 3.39Å; F345-T348 PolarHBondContact O-N 2.81Å; F345-T348 VanDerWaalsContact O-N 3.07Å; F345-T348 PolarHBondContact O-OG1 2.86Å; F345-L349 HydrophobicContact CE1-CD1 4.45Å; F345-L349 HydrophobicContact CE1-CD2 4.25Å; F345-L349 HydrophobicContact CE1-CG 4.42Å; F345-L349 HydrophobicContact CZ-CD2 4.12Å
346L96.7Very high94.3Very high1 Ų144.2 Ų44.21%0.00524%0.238CC..Hα-helixtrans-58.3-39.5179.9174.761000111.7L298 A302 L305 A331 V332 G344 T348 L349 I375L298-L346 HydrophobicContact CD1-CD1 3.52Å; A302-L346 HydrophobicContact CB-CD1 4.47Å; L305-L346 HydrophobicContact CD1-CD2 4.16Å; A331-L346 HydrophobicContact CB-CD1 4.02Å; A331-L346 HydrophobicContact CB-CD2 3.83Å; V332-L346 HydrophobicContact CG2-CD2 3.75Å; G344-L346 VanDerWaalsContact C-N 3.34Å; G344-L346 PolarHBondContact O-N 2.94Å; L346-T348 VanDerWaalsContact C-N 3.27Å; L346-T348 PolarHBondContact O-N 2.74Å; L346-L349 HydrophobicContact CD1-CD1 4.45Å; L346-L349 WeakPolarHBondContact O-CB 3.43Å; L346-L349 PolarHBondContact O-N 3.36Å; L346-I375 HydrophobicContact CB-CG2 4.23Å; L346-I375 HydrophobicContact CD2-CG2 3.8Å; L346-I375 HydrophobicContact CG-CG2 3.79Å
347A96.8Very high94.6Very high3 Ų342.5 Ų42.53%0.02523%0.228CC..Hα-helixtrans-66.5-25.3179.200000113.3G344 F345 L349 V350 K372 I375 N376G344-A347 PolarHBondContact O-N 3.02Å; F345-A347 PolarHBondContact O-N 3.39Å; A347-L349 PolarHBondContact O-N 2.98Å; A347-V350 VanDerWaalsContact O-CB 3.31Å; A347-V350 WeakPolarHBondContact O-CB 3.41Å; A347-V350 VanDerWaalsContact O-CG2 3.3Å; A347-V350 WeakPolarHBondContact O-CG2 3.3Å; A347-V350 PolarHBondContact O-N 3.45Å; A347-K372 HydrophobicContact CB-CB 4.04Å; A347-K372 HydrophobicContact CB-CG 4.22Å; A347-K372 WeakPolarHBondContact O-CG 3.37Å; A347-I375 HydrophobicContact CB-CB 4.36Å; A347-I375 HydrophobicContact CB-CG2 4.1Å; A347-N376 WeakPolarHBondContact CB-OD1 3.43Å
348T96.4Very high95Very high61 Ų6139.9 Ų39.937%0.37422%0.217SC..Hα-helixtrans-71.5-21.7178.2730000112.5F345 L346 V350 D351F345-T348 PolarHBondContact O-N 2.81Å; F345-T348 VanDerWaalsContact O-N 3.07Å; F345-T348 PolarHBondContact O-OG1 2.86Å; L346-T348 VanDerWaalsContact C-N 3.27Å; L346-T348 PolarHBondContact O-N 2.74Å; T348-V350 PolarHBondContact O-N 3.39Å; T348-D351 PolarHBondContact O-N 3.3Å
349L98Very high95.1Very high0 Ų044.6 Ų44.60%024%0.242CC..Hα-helixtrans-69.5-18.9176.3-60.1-179.2000112.7L266 T269 I270 L298 A302 F345 L346 A347 D351 I352 V353L266-L349 HydrophobicContact CD2-CB 4.14Å; L266-L349 HydrophobicContact CD2-CD2 4.35Å; T269-L349 HydrophobicContact CG2-CD2 3.86Å; I270-L349 HydrophobicContact CD1-CD1 4.31Å; I270-L349 HydrophobicContact CG1-CD1 4.11Å; I270-L349 HydrophobicContact CG1-CD2 3.96Å; L298-L349 HydrophobicContact CD1-CD1 3.96Å; L298-L349 HydrophobicContact CD2-CD1 4.08Å; L298-L349 HydrophobicContact CG-CD1 3.71Å; A302-L349 HydrophobicContact CB-CB 3.82Å; A302-L349 HydrophobicContact CB-CD1 3.98Å; F345-L349 HydrophobicContact CE1-CD1 4.45Å; F345-L349 HydrophobicContact CE1-CD2 4.25Å; F345-L349 HydrophobicContact CE1-CG 4.42Å; F345-L349 HydrophobicContact CZ-CD2 4.12Å; L346-L349 HydrophobicContact CD1-CD1 4.45Å; L346-L349 WeakPolarHBondContact O-CB 3.43Å; L346-L349 PolarHBondContact O-N 3.36Å; A347-L349 PolarHBondContact O-N 2.98Å; L349-D351 PolarHBondContact O-N 3.47Å; L349-I352 PolarHBondContact O-N 3.13Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 3.31Å; L349-V353 VanDerWaalsContact O-N 3.07Å
350V97.7Very high95Very high1 Ų145.4 Ų45.41%0.00625%0.249CC..Hα-helixtrans-56.3-38.9176174.30000111.1T306 A347 T348 I352 V353 I354 I371 K372 I375T306-V350 HydrophobicContact CG2-CG1 4.08Å; A347-V350 VanDerWaalsContact O-CB 3.31Å; A347-V350 WeakPolarHBondContact O-CB 3.41Å; A347-V350 VanDerWaalsContact O-CG2 3.3Å; A347-V350 WeakPolarHBondContact O-CG2 3.3Å; A347-V350 PolarHBondContact O-N 3.45Å; T348-V350 PolarHBondContact O-N 3.39Å; V350-I352 VanDerWaalsContact C-N 3.34Å; V350-I352 PolarHBondContact O-N 2.86Å; V350-V353 PolarHBondContact O-N 2.95Å; V350-I354 HydrophobicContact CG1-CD1 3.83Å; V350-I354 HydrophobicContact CG1-CG1 4.47Å; V350-I354 WeakPolarHBondContact O-CG1 3.42Å; V350-I354 PolarHBondContact O-N 2.88Å; V350-I371 HydrophobicContact CG1-CB 4.47Å; V350-I371 HydrophobicContact CG1-CG2 4.1Å; V350-I371 HydrophobicContact CG2-CG2 4.04Å; V350-K372 HydrophobicContact CB-CG 4.06Å; V350-K372 HydrophobicContact CG1-CG 4.26Å; V350-K372 HydrophobicContact CG2-CG 4.14Å; V350-I375 HydrophobicContact CG2-CD1 3.64Å
351D97.3Very high95.2Very high65 Ų6539.8 Ų39.835%0.34822%0.218SC..Hα-helixtrans-61.4-43.3179.8-68-44000111.6T348 L349 I354 E355 K372T348-D351 PolarHBondContact O-N 3.3Å; L349-D351 PolarHBondContact O-N 3.47Å; D351-I354 WeakPolarHBondContact O-CB 3.42Å; D351-I354 PolarHBondContact O-N 3.11Å; D351-E355 WeakPolarHBondContact O-CG 3.47Å; D351-E355 PolarHBondContact O-N 3.16Å; D351-K372 WeakPolarHBondContact OD1-CE 3.34Å; D351-K372 IonicContact OD1-NZ 3.47Å; D351-K372 PolarHBondContact OD1-NZ 3.47Å; D351-K372 WeakPolarHBondContact OD2-CE 3.2Å; D351-K372 IonicContact OD2-NZ 3.03Å; D351-K372 PolarHBondContact OD2-NZ 2.97Å
352I97.7Very high95.1Very high22 Ų2242.2 Ų42.211%0.11323%0.233CC..Hα-helixtrans-70.6-35.5179.5-51.4-57000111.3P265 L266 T269 L349 V350 I354 E355 T356P265-I352 HydrophobicContact CB-CG2 3.65Å; L266-I352 HydrophobicContact CD2-CB 3.8Å; L266-I352 HydrophobicContact CD2-CG2 3.79Å; L266-I352 HydrophobicContact CG-CB 4.46Å; L266-I352 HydrophobicContact CG-CG2 3.89Å; T269-I352 HydrophobicContact CG2-CG1 4.05Å; L349-I352 PolarHBondContact O-N 3.13Å; V350-I352 VanDerWaalsContact C-N 3.34Å; V350-I352 PolarHBondContact O-N 2.86Å; I352-I354 VanDerWaalsContact C-N 3.32Å; I352-E355 PolarHBondContact O-N 3.33Å; I352-T356 WeakPolarHBondContact O-CB 3.44Å; I352-T356 PolarHBondContact O-N 3.23Å; I352-T356 PolarHBondContact O-OG1 3.16Å
353V97.7Very high94.8Very high1 Ų135.2 Ų35.21%0.00620%0.203CC..Hα-helixtrans-63.3-41.8173.1178.30000110.5L266 A302 R303 T306 L349 V350 T356 L357 I364L266-V353 HydrophobicContact CD1-CG2 4.47Å; L266-V353 HydrophobicContact CD2-CG2 4.03Å; A302-V353 HydrophobicContact CB-CG2 4.31Å; R303-V353 HydrophobicContact CG-CG1 4.41Å; R303-V353 HydrophobicContact CG-CG2 4.04Å; T306-V353 HydrophobicContact CG2-CB 4.15Å; T306-V353 HydrophobicContact CG2-CG1 3.75Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 3.31Å; L349-V353 VanDerWaalsContact O-N 3.07Å; V350-V353 PolarHBondContact O-N 2.95Å; V353-T356 PolarHBondContact O-N 3.19Å; V353-L357 HydrophobicContact CG1-CD1 3.89Å; V353-L357 HydrophobicContact CG1-CG 4.4Å; V353-L357 WeakPolarHBondContact O-CB 3.5Å; V353-L357 PolarHBondContact O-N 2.92Å; V353-I364 HydrophobicContact CG1-CD1 4.32Å
354I96.6Very high94.9Very high32 Ų3230.7 Ų30.716%0.16417%0.174CC..Hα-helixtrans-63.2-44.1175.6-73.1165.3000111.3V350 D351 I352 T356 G358 I364 T365 P368V350-I354 HydrophobicContact CG1-CD1 3.83Å; V350-I354 HydrophobicContact CG1-CG1 4.47Å; V350-I354 WeakPolarHBondContact O-CG1 3.42Å; V350-I354 PolarHBondContact O-N 2.88Å; D351-I354 WeakPolarHBondContact O-CB 3.42Å; D351-I354 PolarHBondContact O-N 3.11Å; I352-I354 VanDerWaalsContact C-N 3.32Å; I354-T356 PolarHBondContact O-N 3.48Å; I354-G358 VanDerWaalsContact O-CA 3.23Å; I354-G358 WeakPolarHBondContact O-CA 3.38Å; I354-G358 PolarHBondContact O-N 3.35Å; I354-I364 HydrophobicContact CG1-CD1 3.95Å; I354-I364 HydrophobicContact CG1-CG1 4.2Å; I354-T365 HydrophobicContact CG2-CG2 4.07Å; I354-P368 HydrophobicContact CD1-CB 3.53Å; I354-P368 HydrophobicContact CD1-CG 3.6Å
355E95.5Very high94.8Very high145 Ų14532.7 Ų32.768%0.67818%0.182SC*.Hα-helixtrans-59.3-35.8175.5-73177.2-178.100112.5D351 I352D351-E355 WeakPolarHBondContact O-CG 3.47Å; D351-E355 PolarHBondContact O-N 3.16Å; I352-E355 PolarHBondContact O-N 3.33Å
356T93.9Very high94.2Very high38 Ų3839.2 Ų39.223%0.23321%0.206CC..Hα-helixtrans-85.8-37-175-50.90000112.8L262 I352 V353 I354L262-T356 HydrophobicContact CD2-CG2 3.89Å; I352-T356 WeakPolarHBondContact O-CB 3.44Å; I352-T356 PolarHBondContact O-N 3.23Å; I352-T356 PolarHBondContact O-OG1 3.16Å; V353-T356 PolarHBondContact O-N 3.19Å; I354-T356 PolarHBondContact O-N 3.48Å
357L95.1Very high93.6Very high0 Ų041.7 Ų41.70%022%0.219CC..Hα-helixtrans-116.6-15.5-170.7-62.1-176.2000114.7F97 I307 V353 D359 A360 F361 I364F97-L357 HydrophobicContact CE1-CD1 3.71Å; F97-L357 HydrophobicContact CZ-CD1 4.33Å; I307-L357 HydrophobicContact CD1-CD1 4.35Å; I307-L357 HydrophobicContact CG1-CD1 4.46Å; V353-L357 HydrophobicContact CG1-CD1 3.89Å; V353-L357 HydrophobicContact CG1-CG 4.4Å; V353-L357 WeakPolarHBondContact O-CB 3.5Å; V353-L357 PolarHBondContact O-N 2.92Å; L357-D359 VanDerWaalsContact C-N 3.27Å; L357-D359 PolarHBondContact O-N 3.27Å; L357-A360 PolarHBondContact O-N 3.27Å; L357-F361 HydrophobicContact CB-CD2 4.2Å; L357-F361 PolarHBondContact O-N 3.16Å; L357-I364 HydrophobicContact CB-CD1 4.18Å
358G94Very high93.3Very high7 Ų743.1 Ų43.17%0.07223%0.228CC..THydrogen-bonded Turntrans-61.7-31-172.100000114.1I354 A360 F361 P362I354-G358 VanDerWaalsContact O-CA 3.23Å; I354-G358 WeakPolarHBondContact O-CA 3.38Å; I354-G358 PolarHBondContact O-N 3.35Å; G358-A360 VanDerWaalsContact C-N 3.33Å; G358-A360 PolarHBondContact O-N 2.74Å; G358-F361 CarbonylContact O-C 3.55Å; G358-P362 WeakPolarHBondContact O-CA 3.25Å
359D91.9Very high93Very high125 Ų12545.1 Ų45.167%0.66824%0.237SC*.THydrogen-bonded Turntrans-63.1-38173-80.7-1.6000112.2K8 L357K8-D359 IonicContact NZ-OD2 2.76Å; K8-D359 PolarHBondContact NZ-OD2 3.38Å; L357-D359 VanDerWaalsContact C-N 3.27Å; L357-D359 PolarHBondContact O-N 3.27Å
360A92.6Very high92.1Very high18 Ų1846.2 Ų46.215%0.14924%0.243CC..THydrogen-bonded Turntrans-83.8-33.6-17900000112L357 G358L357-A360 PolarHBondContact O-N 3.27Å; G358-A360 VanDerWaalsContact C-N 3.33Å; G358-A360 PolarHBondContact O-N 2.74Å
361F95.2Very high91.6Very high1 Ų146.5 Ų46.50%0.00424%0.244CC..  trans-129.278.7-176.2-52-54.7000109.9K74 F97 E99 I307 L357 G358 E363 I364K74-F361 HydrophobicContact CD-CB 4.22Å; K74-F361 HydrophobicContact CD-CD1 3.59Å; K74-F361 HydrophobicContact CD-CD2 4.25Å; K74-F361 HydrophobicContact CD-CE1 4.03Å; K74-F361 HydrophobicContact CD-CG 3.73Å; K74-F361 HydrophobicContact CG-CD1 3.56Å; K74-F361 HydrophobicContact CG-CD2 4.11Å; K74-F361 HydrophobicContact CG-CE1 3.44Å; K74-F361 VanDerWaalsContact CG-CE1 3.44Å; K74-F361 HydrophobicContact CG-CE2 3.99Å; K74-F361 HydrophobicContact CG-CG 3.92Å; K74-F361 HydrophobicContact CG-CZ 3.66Å; F97-F361 HydrophobicContact CZ-CE2 4.14Å; E99-F361 HydrophobicContact CG-CE2 3.77Å; E99-F361 HydrophobicContact CG-CZ 3.71Å; E99-F361 WeakPolarHBondContact OE2-CZ 3.06Å; I307-F361 HydrophobicContact CD1-CB 4.36Å; I307-F361 HydrophobicContact CD1-CD2 3.95Å; I307-F361 HydrophobicContact CD1-CG 4.35Å; L357-F361 HydrophobicContact CB-CD2 4.2Å; L357-F361 PolarHBondContact O-N 3.16Å; G358-F361 CarbonylContact O-C 3.55Å; F361-E363 PolarHBondContact O-N 2.71Å; F361-I364 VanDerWaalsContact O-CG1 3.23Å; F361-I364 WeakPolarHBondContact O-CG1 3.34Å; F361-I364 PolarHBondContact O-N 3.22Å
362P92.8Very high91.6Very high57 Ų5745.2 Ų45.237%0.3724%0.236SC..G310 helixtrans-64.7-14.9-174.225.7-33.4000113.2G358 I364 T365G358-P362 WeakPolarHBondContact O-CA 3.25Å; P362-I364 VanDerWaalsContact C-N 3.26Å; P362-I364 PolarHBondContact O-N 3.12Å; P362-T365 WeakPolarHBondContact O-CB 3.49Å; P362-T365 PolarHBondContact O-N 3.25Å; P362-T365 PolarHBondContact O-OG1 3Å
363E86.1Confident91.2Very high22 Ų2248.3 Ų48.310%0.10325%0.25CC..G310 helixtrans-55.5-39.3177-57.270.9-118.900112.4H27 K74 F361 T365 R366H27-E363 IonicContact CD2-OE1 3.83Å; H27-E363 IonicContact CE1-OE1 3.82Å; H27-E363 IonicContact NE2-OE1 2.93Å; H27-E363 PolarHBondContact NE2-OE1 3.42Å; H27-E363 IonicContact NE2-OE2 3.53Å; K74-E363 IonicContact NZ-OE2 3.94Å; K74-E363 PolarHBondContact NZ-OE2 3.02Å; F361-E363 PolarHBondContact O-N 2.71Å; E363-T365 PolarHBondContact O-N 2.91Å; E363-R366 PolarHBondContact O-N 2.8Å
364I90.7Very high90.4Very high0 Ų049.6 Ų49.60%026%0.256CS..G310 helixtrans-74-10.3-178.562.9164.8000113.2T306 I307 V353 I354 L357 F361 P362T306-I364 HydrophobicContact CG2-CB 4.12Å; T306-I364 HydrophobicContact CG2-CD1 3.97Å; T306-I364 HydrophobicContact CG2-CG2 4.18Å; I307-I364 HydrophobicContact CD1-CG2 4.03Å; V353-I364 HydrophobicContact CG1-CD1 4.32Å; I354-I364 HydrophobicContact CG1-CD1 3.95Å; I354-I364 HydrophobicContact CG1-CG1 4.2Å; L357-I364 HydrophobicContact CB-CD1 4.18Å; F361-I364 VanDerWaalsContact O-CG1 3.23Å; F361-I364 WeakPolarHBondContact O-CG1 3.34Å; F361-I364 PolarHBondContact O-N 3.22Å; P362-I364 VanDerWaalsContact C-N 3.26Å; P362-I364 PolarHBondContact O-N 3.12Å
365T91.7Very high90.2Very high65 Ų6548.1 Ų48.140%0.39925%0.249SC..G310 helixtrans-89.3-12.4179.573.60000113.3I354 P362 E363I354-T365 HydrophobicContact CG2-CG2 4.07Å; P362-T365 WeakPolarHBondContact O-CB 3.49Å; P362-T365 PolarHBondContact O-N 3.25Å; P362-T365 PolarHBondContact O-OG1 3Å; E363-T365 PolarHBondContact O-N 2.91Å
366R84.5Confident90.1Very high159 Ų15943.6 Ų43.660%0.623%0.229SC*.SBendtrans-69.7-44-171.7-65.4-178.4-176.3170.15.6113.3E363E363-R366 PolarHBondContact O-N 2.8Å
367D83.3Confident89.6Confident54 Ų5445.8 Ų45.829%0.28924%0.237SC..  trans-147.775.4179.4-174.41.6000111.4D369 T370D367-D369 VanDerWaalsContact C-N 3.25Å; D367-D369 PolarHBondContact O-N 3.15Å; D367-D369 PolarHBondContact OD1-N 3.37Å; D367-T370 VanDerWaalsContact CG-CB 3.44Å; D367-T370 VanDerWaalsContact CG-OG1 3.24Å; D367-T370 PolarHBondContact OD1-N 2.74Å; D367-T370 PolarHBondContact OD1-OG1 3.44Å; D367-T370 WeakPolarHBondContact OD2-CB 3.39Å; D367-T370 PolarHBondContact OD2-OG1 3.47Å
368P91.1Very high89.1Confident33 Ų3345.8 Ų45.821%0.21424%0.237CC..Hα-helixtrans-62.1-33.4178-23.335.8000112.9I354 I371 K372I354-P368 HydrophobicContact CD1-CB 3.53Å; I354-P368 HydrophobicContact CD1-CG 3.6Å; P368-I371 WeakPolarHBondContact O-CB 3.34Å; P368-I371 PolarHBondContact O-N 2.99Å; P368-K372 WeakPolarHBondContact O-CG 3.41Å; P368-K372 PolarHBondContact O-N 3.41Å
369D89.5Confident89Confident103 Ų10345.5 Ų45.555%0.55123%0.234SC*.Hα-helixtrans-68.4-40.9-174.8-71.1-29.7000110.8D367 I371 K372 E373D367-D369 VanDerWaalsContact C-N 3.25Å; D367-D369 PolarHBondContact O-N 3.15Å; D367-D369 PolarHBondContact OD1-N 3.37Å; D369-I371 VanDerWaalsContact C-N 3.32Å; D369-I371 PolarHBondContact O-N 2.98Å; D369-K372 WeakPolarHBondContact O-CB 3.4Å; D369-K372 PolarHBondContact O-N 2.94Å; D369-E373 WeakPolarHBondContact O-CG 3.39Å; D369-E373 PolarHBondContact O-N 2.94Å
370T79.2Confident88.7Confident23 Ų2346 Ų4614%0.14123%0.232CC..Hα-helixtrans-61.9-37.8171.9-71.20000112.5D367 K372 E373 L374D367-T370 VanDerWaalsContact CG-CB 3.44Å; D367-T370 VanDerWaalsContact CG-OG1 3.24Å; D367-T370 PolarHBondContact OD1-N 2.74Å; D367-T370 PolarHBondContact OD1-OG1 3.44Å; D367-T370 WeakPolarHBondContact OD2-CB 3.39Å; D367-T370 PolarHBondContact OD2-OG1 3.47Å; T370-K372 VanDerWaalsContact C-N 3.34Å; T370-K372 PolarHBondContact O-N 3.27Å; T370-E373 PolarHBondContact O-N 3.13Å; T370-L374 HydrophobicContact CG2-CD1 4.04Å; T370-L374 HydrophobicContact CG2-CG 4.37Å; T370-L374 WeakPolarHBondContact O-CB 3.28Å; T370-L374 VanDerWaalsContact O-CG 3.23Å; T370-L374 WeakPolarHBondContact O-CG 3.29Å; T370-L374 PolarHBondContact O-N 3.3Å
371I88.1Confident88Confident6 Ų650 Ų503%0.03125%0.248CC..Hα-helixtrans-61.4-45.7175.1-63.1172.4000109.9T306 L309 V350 P368 D369 L374 I375T306-I371 HydrophobicContact CG2-CD1 4.47Å; L309-I371 HydrophobicContact CB-CG1 4.44Å; L309-I371 HydrophobicContact CB-CG2 4.19Å; L309-I371 HydrophobicContact CD1-CG2 4.18Å; V350-I371 HydrophobicContact CG1-CB 4.47Å; V350-I371 HydrophobicContact CG1-CG2 4.1Å; V350-I371 HydrophobicContact CG2-CG2 4.04Å; P368-I371 WeakPolarHBondContact O-CB 3.34Å; P368-I371 PolarHBondContact O-N 2.99Å; D369-I371 VanDerWaalsContact C-N 3.32Å; D369-I371 PolarHBondContact O-N 2.98Å; I371-L374 PolarHBondContact O-N 3.29Å; I371-I375 HydrophobicContact CG2-CD1 4.12Å; I371-I375 WeakPolarHBondContact O-CG1 3.36Å; I371-I375 PolarHBondContact O-N 3.35Å; I371-I375 VanDerWaalsContact O-N 3.1Å
372K96.5Very high87.5Confident38 Ų3850 Ų5017%0.16525%0.248CC..Hα-helixtrans-63.2-44.4177.2-67.5176.5-169.41740112.3A347 V350 D351 P368 D369 T370 L374 I375 N376A347-K372 HydrophobicContact CB-CB 4.04Å; A347-K372 HydrophobicContact CB-CG 4.22Å; A347-K372 WeakPolarHBondContact O-CG 3.37Å; V350-K372 HydrophobicContact CB-CG 4.06Å; V350-K372 HydrophobicContact CG1-CG 4.26Å; V350-K372 HydrophobicContact CG2-CG 4.14Å; D351-K372 WeakPolarHBondContact OD1-CE 3.34Å; D351-K372 IonicContact OD1-NZ 3.47Å; D351-K372 PolarHBondContact OD1-NZ 3.47Å; D351-K372 WeakPolarHBondContact OD2-CE 3.2Å; D351-K372 IonicContact OD2-NZ 3.03Å; D351-K372 PolarHBondContact OD2-NZ 2.97Å; P368-K372 WeakPolarHBondContact O-CG 3.41Å; P368-K372 PolarHBondContact O-N 3.41Å; D369-K372 WeakPolarHBondContact O-CB 3.4Å; D369-K372 PolarHBondContact O-N 2.94Å; T370-K372 VanDerWaalsContact C-N 3.34Å; T370-K372 PolarHBondContact O-N 3.27Å; K372-L374 PolarHBondContact O-N 3.42Å; K372-I375 PolarHBondContact O-N 2.92Å; K372-N376 WeakPolarHBondContact O-CB 3.26Å; K372-N376 VanDerWaalsContact O-CG 3.29Å; K372-N376 PolarHBondContact O-N 3.17Å; K372-N376 PolarHBondContact O-ND2 3.07Å
373E88.3Confident87.1Confident88 Ų8848.4 Ų48.441%0.41124%0.236SC..Hα-helixtrans-56.4-49.6175-76.1179.917800110.8D369 T370 I375 N376 E377 K643D369-E373 WeakPolarHBondContact O-CG 3.39Å; D369-E373 PolarHBondContact O-N 2.94Å; T370-E373 PolarHBondContact O-N 3.13Å; E373-I375 VanDerWaalsContact C-N 3.32Å; E373-I375 PolarHBondContact O-N 2.91Å; E373-N376 PolarHBondContact O-N 3.11Å; E373-E377 WeakPolarHBondContact O-CB 3.39Å; E373-E377 VanDerWaalsContact O-CG 3.29Å; E373-E377 WeakPolarHBondContact O-CG 3.33Å; E373-E377 PolarHBondContact O-N 2.92Å; E373-K643 IonicContact OE2-NZ 2.91Å; E373-K643 PolarHBondContact OE2-NZ 3.32Å
374L81.5Confident86.6Confident27 Ų2751.1 Ų51.114%0.14125%0.254CS..Hα-helixtrans-61-39.5180-72.2171.3000112.8L309 T370 I371 K372 E378L309-L374 HydrophobicContact CD1-CB 4.28Å; L309-L374 HydrophobicContact CD2-CD1 4.47Å; T370-L374 HydrophobicContact CG2-CD1 4.04Å; T370-L374 HydrophobicContact CG2-CG 4.37Å; T370-L374 WeakPolarHBondContact O-CB 3.28Å; T370-L374 VanDerWaalsContact O-CG 3.23Å; T370-L374 WeakPolarHBondContact O-CG 3.29Å; T370-L374 PolarHBondContact O-N 3.3Å; I371-L374 PolarHBondContact O-N 3.29Å; K372-L374 PolarHBondContact O-N 3.42Å; L374-E378 PolarHBondContact O-N 3.03Å
375I93.7Very high85.6Confident1 Ų153 Ų531%0.00527%0.266CS..Hα-helixtrans-64.7-53.3175.3-70171.1000110.3L305 L309 L328 L346 A347 V350 I371 K372 E373 E377 E378 E379L305-I375 HydrophobicContact CB-CD1 4.4Å; L309-I375 HydrophobicContact CD1-CD1 4.19Å; L309-I375 HydrophobicContact CD1-CG1 3.62Å; L328-I375 HydrophobicContact CD1-CG1 4.49Å; L346-I375 HydrophobicContact CB-CG2 4.23Å; L346-I375 HydrophobicContact CD2-CG2 3.8Å; L346-I375 HydrophobicContact CG-CG2 3.79Å; A347-I375 HydrophobicContact CB-CB 4.36Å; A347-I375 HydrophobicContact CB-CG2 4.1Å; V350-I375 HydrophobicContact CG2-CD1 3.64Å; I371-I375 HydrophobicContact CG2-CD1 4.12Å; I371-I375 WeakPolarHBondContact O-CG1 3.36Å; I371-I375 PolarHBondContact O-N 3.35Å; I371-I375 VanDerWaalsContact O-N 3.1Å; K372-I375 PolarHBondContact O-N 2.92Å; E373-I375 VanDerWaalsContact C-N 3.32Å; E373-I375 PolarHBondContact O-N 2.91Å; I375-E377 VanDerWaalsContact C-N 3.34Å; I375-E377 PolarHBondContact O-N 3.13Å; I375-E378 PolarHBondContact O-N 3.46Å; I375-E379 WeakPolarHBondContact O-CB 3.27Å; I375-E379 PolarHBondContact O-N 2.84Å
376N93.4Very high85Confident50 Ų5050.1 Ų50.127%0.26725%0.248SC..Hα-helixtrans-59-43.4-177.8-75.5-28.1000111.9G344 A347 K372 E373 E378 E379 E380G344-N376 WeakPolarHBondContact CA-OD1 3.26Å; A347-N376 WeakPolarHBondContact CB-OD1 3.43Å; K372-N376 WeakPolarHBondContact O-CB 3.26Å; K372-N376 VanDerWaalsContact O-CG 3.29Å; K372-N376 PolarHBondContact O-N 3.17Å; K372-N376 PolarHBondContact O-ND2 3.07Å; E373-N376 PolarHBondContact O-N 3.11Å; N376-E378 PolarHBondContact O-N 2.9Å; N376-E379 PolarHBondContact O-N 3.44Å; N376-E380 WeakPolarHBondContact O-CG 3.43Å; N376-E380 PolarHBondContact O-N 3.42Å
377E82.3Confident84.6Confident84 Ų8449.6 Ų49.639%0.39325%0.25SC..Hα-helixtrans-63.9-40.8179.6-74.4179170.800113E373 I375 Q381 K749E373-E377 WeakPolarHBondContact O-CB 3.39Å; E373-E377 VanDerWaalsContact O-CG 3.29Å; E373-E377 WeakPolarHBondContact O-CG 3.33Å; E373-E377 PolarHBondContact O-N 2.92Å; I375-E377 VanDerWaalsContact C-N 3.34Å; I375-E377 PolarHBondContact O-N 3.13Å; E377-Q381 VanDerWaalsContact O-CG 3.3Å; E377-Q381 WeakPolarHBondContact O-CG 3.46Å; E377-Q381 PolarHBondContact O-N 2.72Å; E377-K749 WeakPolarHBondContact OE2-CE 3.15Å; E377-K749 IonicContact OE2-NZ 3.03Å; E377-K749 PolarHBondContact OE2-NZ 3.4Å
378E84.9Confident84.1Confident0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-74.3-33.8175.6-178.272.7-154.800111.2A315 R325 L328 R329 L374 I375 N376 Q381 F382A315-E378 HydrophobicContact CB-CG 4.24Å; R325-E378 IonicContact CZ-OE1 3.39Å; R325-E378 IonicContact CZ-OE2 2.67Å; R325-E378 IonicContact NE-OE1 2.73Å; R325-E378 PolarHBondContact NE-OE1 2.96Å; R325-E378 IonicContact NE-OE2 2.97Å; R325-E378 PolarHBondContact NE-OE2 2.73Å; R325-E378 IonicContact NH2-OE1 3.05Å; R325-E378 IonicContact NH2-OE2 2.7Å; R325-E378 PolarHBondContact NH2-OE2 3.19Å; L328-E378 HydrophobicContact CD1-CB 3.75Å; L328-E378 HydrophobicContact CD1-CG 3.88Å; L328-E378 HydrophobicContact CD2-CB 3.92Å; L328-E378 HydrophobicContact CD2-CG 3.58Å; L328-E378 HydrophobicContact CG-CG 4.27Å; R329-E378 IonicContact CZ-OE1 2.61Å; R329-E378 IonicContact NE-OE1 3.74Å; R329-E378 PolarHBondContact NE-OE1 2.8Å; R329-E378 VanDerWaalsContact NE-OE1 3.08Å; R329-E378 IonicContact NH2-OE1 2.74Å; R329-E378 PolarHBondContact NH2-OE1 2.89Å; L374-E378 PolarHBondContact O-N 3.03Å; I375-E378 PolarHBondContact O-N 3.46Å; N376-E378 PolarHBondContact O-N 2.9Å; E378-Q381 PolarHBondContact O-N 3.14Å; E378-F382 VanDerWaalsContact O-CB 3.24Å; E378-F382 WeakPolarHBondContact O-CB 3.49Å; E378-F382 PolarHBondContact O-N 2.86Å
379E91.6Very high83.1Confident2 Ų253.2 Ų53.21%0.00926%0.255CS..Hα-helixtrans-59.1-50.8172.5175.7175179.400111.2V332 P343 G344 I375 N376 Q381 F382 L383V332-E379 HydrophobicContact CG1-CG 3.89Å; V332-E379 HydrophobicContact CG2-CB 3.82Å; V332-E379 HydrophobicContact CG2-CG 3.73Å; P343-E379 VanDerWaalsContact CA-OE1 3.31Å; P343-E379 WeakPolarHBondContact CA-OE1 3.24Å; G344-E379 WeakPolarHBondContact CA-OE2 3.28Å; G344-E379 VanDerWaalsContact N-CD 3.31Å; G344-E379 PolarHBondContact N-OE1 2.89Å; G344-E379 PolarHBondContact N-OE2 3.33Å; I375-E379 WeakPolarHBondContact O-CB 3.27Å; I375-E379 PolarHBondContact O-N 2.84Å; N376-E379 PolarHBondContact O-N 3.44Å; E379-Q381 VanDerWaalsContact C-N 3.34Å; E379-Q381 PolarHBondContact O-N 2.98Å; E379-F382 PolarHBondContact O-N 3.36Å; E379-F382 VanDerWaalsContact O-N 3.16Å; E379-L383 HydrophobicContact CG-CD1 3.81Å; E379-L383 HydrophobicContact CG-CG 4.15Å; E379-L383 WeakPolarHBondContact O-CB 3.41Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.43Å; E379-L383 PolarHBondContact O-N 3.31Å
380E86.8Confident82.5Confident136 Ų13651.5 Ų51.564%0.63624%0.241SC*.Hα-helixtrans-56.9-47.1178.2-76.7-178.6179.500112N376 V384N376-E380 WeakPolarHBondContact O-CG 3.43Å; N376-E380 PolarHBondContact O-N 3.42Å; E380-V384 PolarHBondContact O-N 3.02Å
381Q76.5Confident82.5Confident102 Ų10259 Ų5948%0.47727%0.267SS..Hα-helixtrans-62.2-44.8176.7-71177.31500111.2E377 E378 E379 V384 T385E377-Q381 VanDerWaalsContact O-CG 3.3Å; E377-Q381 WeakPolarHBondContact O-CG 3.46Å; E377-Q381 PolarHBondContact O-N 2.72Å; E378-Q381 PolarHBondContact O-N 3.14Å; E379-Q381 VanDerWaalsContact C-N 3.34Å; E379-Q381 PolarHBondContact O-N 2.98Å; Q381-V384 PolarHBondContact O-N 3.07Å; Q381-T385 PolarHBondContact O-N 3.34Å
382F84.7Confident81.8Confident0 Ų061.2 Ų61.20%028%0.276CS..Hα-helixtrans-67.4-42.5-178.5-178.8-123.7000111.9R329 V332 E378 E379 V384 T385 L386 L428R329-F382 HydrophobicContact CB-CD1 3.94Å; R329-F382 HydrophobicContact CB-CD2 4.09Å; R329-F382 HydrophobicContact CB-CE1 3.73Å; R329-F382 HydrophobicContact CB-CE2 3.89Å; R329-F382 HydrophobicContact CB-CG 4.12Å; R329-F382 HydrophobicContact CB-CZ 3.7Å; R329-F382 VanDerWaalsContact CD-CD2 3.41Å; R329-F382 HydrophobicContact CG-CB 4.09Å; R329-F382 HydrophobicContact CG-CD1 3.84Å; R329-F382 HydrophobicContact CG-CD2 3.5Å; R329-F382 HydrophobicContact CG-CE1 4.1Å; R329-F382 HydrophobicContact CG-CE2 3.79Å; R329-F382 HydrophobicContact CG-CG 3.53Å; R329-F382 HydrophobicContact CG-CZ 4.08Å; R329-F382 WeakPolarHBondContact O-CE1 3.45Å; V332-F382 HydrophobicContact CB-CD1 3.97Å; V332-F382 HydrophobicContact CB-CE1 4.37Å; V332-F382 HydrophobicContact CG1-CD1 3.77Å; V332-F382 HydrophobicContact CG1-CE1 4.31Å; E378-F382 VanDerWaalsContact O-CB 3.24Å; E378-F382 WeakPolarHBondContact O-CB 3.49Å; E378-F382 PolarHBondContact O-N 2.86Å; E379-F382 PolarHBondContact O-N 3.36Å; E379-F382 VanDerWaalsContact O-N 3.16Å; F382-V384 PolarHBondContact O-N 3.46Å; F382-T385 WeakPolarHBondContact CA-OG1 3.22Å; F382-T385 WeakPolarHBondContact CD2-OG1 3.41Å; F382-T385 CarbonylContact O-C 3.46Å; F382-T385 WeakPolarHBondContact O-CA 3.08Å; F382-T385 PolarHBondContact O-N 3.22Å; F382-T385 PolarHBondContact O-OG1 2.82Å; F382-L386 HydrophobicContact CE1-CB 4.28Å; F382-L386 HydrophobicContact CE1-CD1 4.17Å; F382-L386 HydrophobicContact CE1-CD2 4.15Å; F382-L386 HydrophobicContact CE1-CG 4.44Å; F382-L386 HydrophobicContact CE2-CB 4.42Å; F382-L386 HydrophobicContact CZ-CB 4.21Å; F382-L386 HydrophobicContact CZ-CD1 3.84Å; F382-L386 HydrophobicContact CZ-CG 4.44Å; F382-L386 WeakPolarHBondContact O-CB 3.33Å; F382-L386 PolarHBondContact O-N 2.85Å; F382-L428 HydrophobicContact CZ-CD2 3.93Å
383L84.5Confident81Confident23 Ų2359.4 Ų59.412%0.1227%0.268CS..Hα-helixtrans-58.2-34.7179.1-73.8173.8000112.7V332 V336 P343 E379 L386 K387V332-L383 HydrophobicContact CG1-CD2 3.81Å; V332-L383 HydrophobicContact CG1-CG 4.12Å; V336-L383 HydrophobicContact CB-CD2 4.33Å; V336-L383 HydrophobicContact CG1-CD2 4.13Å; V336-L383 HydrophobicContact CG2-CD2 4.08Å; P343-L383 HydrophobicContact CB-CD1 3.85Å; P343-L383 HydrophobicContact CG-CD1 3.97Å; E379-L383 HydrophobicContact CG-CD1 3.81Å; E379-L383 HydrophobicContact CG-CG 4.15Å; E379-L383 WeakPolarHBondContact O-CB 3.41Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.43Å; E379-L383 PolarHBondContact O-N 3.31Å; L383-L386 HydrophobicContact CD2-CD2 4.29Å; L383-K387 WeakPolarHBondContact O-CG 3.49Å; L383-K387 PolarHBondContact O-N 3.46Å
384V75.8Confident80.7Confident80 Ų8058.3 Ų58.349%0.48527%0.265SS..Hα-helixtrans-64.9-43.6172.7175.60000111E380 Q381 F382E380-V384 PolarHBondContact O-N 3.02Å; Q381-V384 PolarHBondContact O-N 3.07Å; F382-V384 PolarHBondContact O-N 3.46Å
385T69.9Low80.7Confident40 Ų4064.1 Ų64.125%0.24529%0.285CS..Hα-helixtrans-72.9-39.217959.90000113.2Q381 F382 K387 R388 G389 Y422Q381-T385 PolarHBondContact O-N 3.34Å; F382-T385 WeakPolarHBondContact CA-OG1 3.22Å; F382-T385 WeakPolarHBondContact CD2-OG1 3.41Å; F382-T385 CarbonylContact O-C 3.46Å; F382-T385 WeakPolarHBondContact O-CA 3.08Å; F382-T385 PolarHBondContact O-N 3.22Å; F382-T385 PolarHBondContact O-OG1 2.82Å; T385-K387 PolarHBondContact O-N 3.09Å; T385-R388 PolarHBondContact O-N 2.95Å; T385-G389 PolarHBondContact O-N 2.89Å; T385-Y422 WeakPolarHBondContact CB-O 3.18Å
386L78.6Confident79.9Confident4 Ų465.1 Ų65.12%0.02129%0.292CS..Hα-helixtrans-56.4-49.8178.2-177.965.3000110.7E337 F382 L383 R388 G389 R390 F424 L428E337-L386 HydrophobicContact CG-CD2 4.22Å; F382-L386 HydrophobicContact CE1-CB 4.28Å; F382-L386 HydrophobicContact CE1-CD1 4.17Å; F382-L386 HydrophobicContact CE1-CD2 4.15Å; F382-L386 HydrophobicContact CE1-CG 4.44Å; F382-L386 HydrophobicContact CE2-CB 4.42Å; F382-L386 HydrophobicContact CZ-CB 4.21Å; F382-L386 HydrophobicContact CZ-CD1 3.84Å; F382-L386 HydrophobicContact CZ-CG 4.44Å; F382-L386 WeakPolarHBondContact O-CB 3.33Å; F382-L386 PolarHBondContact O-N 2.85Å; L383-L386 HydrophobicContact CD2-CD2 4.29Å; L386-R388 VanDerWaalsContact C-N 3.26Å; L386-R388 PolarHBondContact O-N 3.45Å; L386-G389 PolarHBondContact O-N 2.82Å; L386-R390 VanDerWaalsContact O-CB 3.25Å; L386-R390 WeakPolarHBondContact O-CB 3.41Å; L386-R390 PolarHBondContact O-N 2.83Å; L386-F424 HydrophobicContact CD1-CE1 4.29Å; L386-F424 HydrophobicContact CD1-CE2 4.33Å; L386-F424 HydrophobicContact CD1-CZ 3.75Å; L386-F424 WeakPolarHBondContact O-CZ 3.17Å; L386-L428 HydrophobicContact CD1-CD2 4.42Å
387K76.9Confident79.3Confident147 Ų14763.1 Ų63.164%0.63928%0.281SS*.Hα-helixtrans-58.1-36.3176.3-73.5175.7-178.2174.20113L383 T385 R391L383-K387 WeakPolarHBondContact O-CG 3.49Å; L383-K387 PolarHBondContact O-N 3.46Å; T385-K387 PolarHBondContact O-N 3.09Å; K387-R391 WeakPolarHBondContact O-CG 3.48Å
388R72.2Confident79.3Confident163 Ų16366.3 Ų66.362%0.61529%0.293SS*.Hα-helixtrans-77-48-179.7-68.5178.4-177.8-178.42.2111.5T385 L386 R390 R391 F392 Y422T385-R388 PolarHBondContact O-N 2.95Å; L386-R388 VanDerWaalsContact C-N 3.26Å; L386-R388 PolarHBondContact O-N 3.45Å; R388-R390 VanDerWaalsContact C-N 3.34Å; R388-R391 PolarHBondContact O-N 2.91Å; R388-F392 PolarHBondContact O-N 2.96Å; R388-F392 VanDerWaalsContact O-N 3.14Å; R388-Y422 HydrophobicContact CB-CD1 4.29Å
389G71.2Confident78.8Confident0 Ų070.8 Ų70.80%032%0.317CS..Hα-helixtrans-67.2-34179.600000112.4T385 L386 F392 F393 F424T385-G389 PolarHBondContact O-N 2.89Å; L386-G389 PolarHBondContact O-N 2.82Å; G389-F392 WeakPolarHBondContact O-CB 3.16Å; G389-F392 PolarHBondContact O-N 2.94Å; G389-F393 WeakPolarHBondContact O-CB 3.5Å; G389-F393 PolarHBondContact O-N 2.9Å; G389-F424 VanDerWaalsContact C-CZ 3.42Å
390R76.9Confident78.1Confident67 Ų6772.5 Ų72.525%0.25333%0.326SS..Hα-helixtrans-61.5-46.8173.5-176.760179.9-101.310.9111.9E337 L386 R388 F392 F393 D394 F424E337-R390 IonicContact OE1-NH1 3.66Å; E337-R390 IonicContact OE2-NH1 3.3Å; E337-R390 PolarHBondContact OE2-NH1 3.3Å; L386-R390 VanDerWaalsContact O-CB 3.25Å; L386-R390 WeakPolarHBondContact O-CB 3.41Å; L386-R390 PolarHBondContact O-N 2.83Å; R388-R390 VanDerWaalsContact C-N 3.34Å; R390-F392 VanDerWaalsContact C-N 3.26Å; R390-F392 PolarHBondContact O-N 3.33Å; R390-F393 PolarHBondContact O-N 2.99Å; R390-D394 IonicContact NE-OD1 3.33Å; R390-D394 PolarHBondContact NE-OD1 3.19Å; R390-D394 IonicContact NE-OD2 3.25Å; R390-D394 WeakPolarHBondContact O-CB 3.21Å; R390-D394 PolarHBondContact O-N 3.06Å; R390-F424 VanDerWaalsContact N-CZ 3.32Å
391R78.7Confident77.4Confident181 Ų18172.8 Ų72.868%0.68333%0.325SS*.Hα-helixtrans-60.2-35.6174.7-72.8175.7-175.71801.4112.9K387 R388 R395K387-R391 WeakPolarHBondContact O-CG 3.48Å; R388-R391 PolarHBondContact O-N 2.91Å; R391-R395 WeakPolarHBondContact O-CB 3.25Å; R391-R395 PolarHBondContact O-N 3.48Å
392F73Confident77.3Confident52 Ų5271.9 Ų71.923%0.22834%0.335CS..Hα-helixtrans-70.3-48175.9177.6-102.2000110.8R388 G389 R390 R395 V396 V414 L418 Y422R388-F392 PolarHBondContact O-N 2.96Å; R388-F392 VanDerWaalsContact O-N 3.14Å; G389-F392 WeakPolarHBondContact O-CB 3.16Å; G389-F392 PolarHBondContact O-N 2.94Å; R390-F392 VanDerWaalsContact C-N 3.26Å; R390-F392 PolarHBondContact O-N 3.33Å; F392-R395 WeakPolarHBondContact O-CB 3.45Å; F392-R395 PolarHBondContact O-N 2.64Å; F392-V396 HydrophobicContact CD1-CG2 4.41Å; F392-V396 HydrophobicContact CE1-CG2 4Å; F392-V396 HydrophobicContact CE2-CG2 4.36Å; F392-V396 HydrophobicContact CZ-CG2 3.97Å; F392-V396 WeakPolarHBondContact O-CG2 3.47Å; F392-V396 PolarHBondContact O-N 2.97Å; F392-V414 HydrophobicContact CE1-CG1 4.31Å; F392-L418 HydrophobicContact CD1-CD2 3.69Å; F392-L418 HydrophobicContact CD1-CG 3.99Å; F392-L418 HydrophobicContact CE1-CD2 4.33Å; F392-L418 HydrophobicContact CE1-CG 4.13Å; F392-Y422 HydrophobicContact CB-CE2 4.3Å; F392-Y422 HydrophobicContact CD1-CD2 4.28Å; F392-Y422 AromaticContact CD1-CE2 3.83Å; F392-Y422 HydrophobicContact CD1-CE2 3.83Å; F392-Y422 HydrophobicContact CD2-CE2 4.24Å; F392-Y422 HydrophobicContact CE1-CE2 4.19Å; F392-Y422 AromaticContact CG-CE2 3.85Å; F392-Y422 HydrophobicContact CG-CE2 3.85Å
393F80.3Confident76.4Confident0 Ų075.5 Ų75.50%036%0.361CS..Hα-helixtrans-57.1-51.9176-175.9-88.9000111.6G389 R390 R395 V396 I397 L410 L418 T429 L432 H436G389-F393 WeakPolarHBondContact O-CB 3.5Å; G389-F393 PolarHBondContact O-N 2.9Å; R390-F393 PolarHBondContact O-N 2.99Å; F393-R395 PolarHBondContact O-N 2.82Å; F393-V396 PolarHBondContact O-N 2.83Å; F393-I397 HydrophobicContact CD1-CG1 3.86Å; F393-I397 HydrophobicContact CE1-CD1 3.87Å; F393-I397 HydrophobicContact CE1-CG1 3.53Å; F393-I397 HydrophobicContact CZ-CD1 3.84Å; F393-I397 HydrophobicContact CZ-CG1 4.01Å; F393-I397 WeakPolarHBondContact O-CG1 3.48Å; F393-I397 PolarHBondContact O-N 3.09Å; F393-L410 HydrophobicContact CE2-CD2 4.17Å; F393-L418 HydrophobicContact CB-CD2 4.47Å; F393-L418 HydrophobicContact CD2-CD1 3.76Å; F393-T429 HydrophobicContact CD2-CG2 4.44Å; F393-T429 HydrophobicContact CE2-CG2 4.17Å; F393-L432 HydrophobicContact CD1-CB 4.47Å; F393-L432 HydrophobicContact CE1-CB 3.85Å; F393-L432 HydrophobicContact CE2-CB 4.06Å; F393-L432 HydrophobicContact CZ-CB 3.63Å; F393-H436 AromaticContact CE1-CD2 3.73Å
394D82.1Confident75.3Confident66 Ų6677.7 Ų77.735%0.35339%0.388SS..Hα-helixtrans-58-35.1178.2-65.4-23.7000112.1R390 K398R390-D394 IonicContact NE-OD1 3.33Å; R390-D394 PolarHBondContact NE-OD1 3.19Å; R390-D394 IonicContact NE-OD2 3.25Å; R390-D394 WeakPolarHBondContact O-CB 3.21Å; R390-D394 PolarHBondContact O-N 3.06Å; D394-K398 VanDerWaalsContact O-CB 3.32Å; D394-K398 WeakPolarHBondContact O-CB 3.42Å; D394-K398 PolarHBondContact O-N 3.21Å
395R80.2Confident74.5Confident148 Ų14876.8 Ų76.856%0.55839%0.386SS*.Hα-helixtrans-66.4-47.4174.3-174.7-173.1-57.6160.22.3111.2R391 F392 F393 I397 K398 D399R391-R395 WeakPolarHBondContact O-CB 3.25Å; R391-R395 PolarHBondContact O-N 3.48Å; F392-R395 WeakPolarHBondContact O-CB 3.45Å; F392-R395 PolarHBondContact O-N 2.64Å; F393-R395 PolarHBondContact O-N 2.82Å; R395-I397 VanDerWaalsContact C-N 3.3Å; R395-I397 PolarHBondContact O-N 3.47Å; R395-K398 WeakPolarHBondContact O-CB 3.23Å; R395-K398 PolarHBondContact O-N 3.25Å; R395-K398 VanDerWaalsContact O-N 3.14Å; R395-D399 WeakPolarHBondContact O-CB 3.48Å; R395-D399 PolarHBondContact O-N 3.24Å
396V78.3Confident74.3Confident23 Ų2382.7 Ų82.714%0.13942%0.416CS..Hα-helixtrans-59.3-43176.8175.40000111F392 F393 K398 D399 L400 L410 V414F392-V396 HydrophobicContact CD1-CG2 4.41Å; F392-V396 HydrophobicContact CE1-CG2 4Å; F392-V396 HydrophobicContact CE2-CG2 4.36Å; F392-V396 HydrophobicContact CZ-CG2 3.97Å; F392-V396 WeakPolarHBondContact O-CG2 3.47Å; F392-V396 PolarHBondContact O-N 2.97Å; F393-V396 PolarHBondContact O-N 2.83Å; V396-K398 PolarHBondContact O-N 3.4Å; V396-D399 PolarHBondContact O-N 2.74Å; V396-L400 HydrophobicContact CG1-CD1 3.97Å; V396-L400 WeakPolarHBondContact O-CB 3.34Å; V396-L400 PolarHBondContact O-N 2.88Å; V396-L410 HydrophobicContact CG1-CD1 3.69Å; V396-V414 HydrophobicContact CG1-CG1 4.14Å; V396-V414 HydrophobicContact CG2-CG1 4.19Å
397I81.1Confident73.7Confident8 Ų886.5 Ų86.54%0.04144%0.436CS..Hα-helixtrans-61.7-43.7175.4-62.5-64.3000111.4F393 R395 D399 L400 K401 H436 L438F393-I397 HydrophobicContact CD1-CG1 3.86Å; F393-I397 HydrophobicContact CE1-CD1 3.87Å; F393-I397 HydrophobicContact CE1-CG1 3.53Å; F393-I397 HydrophobicContact CZ-CD1 3.84Å; F393-I397 HydrophobicContact CZ-CG1 4.01Å; F393-I397 WeakPolarHBondContact O-CG1 3.48Å; F393-I397 PolarHBondContact O-N 3.09Å; R395-I397 VanDerWaalsContact C-N 3.3Å; R395-I397 PolarHBondContact O-N 3.47Å; I397-D399 VanDerWaalsContact C-N 3.34Å; I397-L400 PolarHBondContact O-N 2.82Å; I397-K401 HydrophobicContact CG2-CD 4.2Å; I397-K401 WeakPolarHBondContact O-CG 3.11Å; I397-K401 PolarHBondContact O-N 3.45Å; I397-H436 HydrophobicContact CD1-CB 4.43Å; I397-L438 HydrophobicContact CD1-CD1 3.17Å
398K81.5Confident73.7Confident151 Ų15183.5 Ų83.566%0.65743%0.431SS*.Hα-helixtrans-62.3-42.6177.5-173.8-178.9178.7-177.70111.4D394 R395 V396 K401 A402D394-K398 VanDerWaalsContact O-CB 3.32Å; D394-K398 WeakPolarHBondContact O-CB 3.42Å; D394-K398 PolarHBondContact O-N 3.21Å; R395-K398 WeakPolarHBondContact O-CB 3.23Å; R395-K398 PolarHBondContact O-N 3.25Å; R395-K398 VanDerWaalsContact O-N 3.14Å; V396-K398 PolarHBondContact O-N 3.4Å; K398-K401 PolarHBondContact O-N 2.83Å; K398-A402 VanDerWaalsContact O-CB 3.25Å; K398-A402 WeakPolarHBondContact O-CB 2.97Å; K398-A402 PolarHBondContact O-N 3.01Å
399D74.8Confident74.2Confident93 Ų9378 Ų7850%0.49742%0.415SS..Hα-helixtrans-69-40.5-179.8-65.3-17.2000111.2R395 V396 I397 A402 S403R395-D399 WeakPolarHBondContact O-CB 3.48Å; R395-D399 PolarHBondContact O-N 3.24Å; V396-D399 PolarHBondContact O-N 2.74Å; I397-D399 VanDerWaalsContact C-N 3.34Å; D399-A402 PolarHBondContact O-N 3.31Å; D399-S403 WeakPolarHBondContact O-CB 3.46Å; D399-S403 PolarHBondContact O-N 2.96Å
400L75.6Confident74.8Confident38 Ų3878.1 Ų78.120%0.19942%0.415CS..Hα-helixtrans-57.6-50.3171.2-90.6158.5000111.5V396 I397 A402 S403 L410V396-L400 HydrophobicContact CG1-CD1 3.97Å; V396-L400 WeakPolarHBondContact O-CB 3.34Å; V396-L400 PolarHBondContact O-N 2.88Å; I397-L400 PolarHBondContact O-N 2.82Å; L400-A402 PolarHBondContact O-N 3.43Å; L400-S403 PolarHBondContact O-N 2.71Å; L400-S403 PolarHBondContact O-OG 2.58Å; L400-L410 HydrophobicContact CD1-CD1 3.93Å
401K73.8Confident75.3Confident142 Ų14277.5 Ų77.562%0.61742%0.421SS*.Hα-helixtrans-64-38.2177.5-72178.7179.7179.50112.5I397 K398 S403 G404I397-K401 HydrophobicContact CG2-CD 4.2Å; I397-K401 WeakPolarHBondContact O-CG 3.11Å; I397-K401 PolarHBondContact O-N 3.45Å; K398-K401 PolarHBondContact O-N 2.83Å; K401-S403 VanDerWaalsContact C-N 3.33Å; K401-G404 PolarHBondContact O-N 3.47Å
402A73.1Confident75.5Confident83 Ų8368.9 Ų68.969%0.68639%0.389SS*.Hα-helixtrans-70.4-27.7179.400000113.1K398 D399 L400 G404K398-A402 VanDerWaalsContact O-CB 3.25Å; K398-A402 WeakPolarHBondContact O-CB 2.97Å; K398-A402 PolarHBondContact O-N 3.01Å; D399-A402 PolarHBondContact O-N 3.31Å; L400-A402 PolarHBondContact O-N 3.43Å; A402-G404 PolarHBondContact O-N 3.06Å
403S66.5Low75.8Confident77 Ų7773.3 Ų73.354%0.53841%0.411SS..THydrogen-bonded Turntrans-70-6.4178.373.30000114.4D399 L400 K401 S405D399-S403 WeakPolarHBondContact O-CB 3.46Å; D399-S403 PolarHBondContact O-N 2.96Å; L400-S403 PolarHBondContact O-N 2.71Å; L400-S403 PolarHBondContact O-OG 2.58Å; K401-S403 VanDerWaalsContact C-N 3.33Å; S403-S405 PolarHBondContact O-N 2.97Å; S403-S405 VanDerWaalsContact O-N 3.16Å; S403-S405 WeakPolarHBondContact OG-CB 3.39Å
404G61.7Low75.9Confident68 Ų6874.8 Ų74.870%0.70142%0.42SS*.THydrogen-bonded Turntrans66.510.3-177.500000113.9K401 A402K401-G404 PolarHBondContact O-N 3.47Å; A402-G404 PolarHBondContact O-N 3.06Å
405S58.5Low75.9Confident62 Ų6271.6 Ų71.643%0.43440%0.403SS..  trans-79.4126.2-178.8-1650000110.3S403 N407S403-S405 PolarHBondContact O-N 2.97Å; S403-S405 VanDerWaalsContact O-N 3.16Å; S403-S405 WeakPolarHBondContact OG-CB 3.39Å; S405-N407 PolarHBondContact O-N 3.29Å; S405-N407 WeakPolarHBondContact OG-CB 3.22Å
406N65.3Low76Confident163 Ų16366 Ų6687%0.87238%0.382SS*.  trans-70.419168.4-92.3-2.8000112.5T408N406-T408 PolarHBondContact O-N 3.21Å; N406-T408 VanDerWaalsContact O-N 3.1Å
407N66.2Low75.7Confident85 Ų8565.8 Ų65.846%0.45538%0.384SS..  trans-75.5106.2-175.5-157.55.6000109.7S405 T409S405-N407 PolarHBondContact O-N 3.29Å; S405-N407 WeakPolarHBondContact OG-CB 3.22Å; N407-T409 PolarHBondContact O-N 3.26Å
408T77.2Confident75.6Confident84 Ų8465.4 Ų65.452%0.51538%0.382SS..  trans-84.11817952.80000112.4N406 L438 K439N406-T408 PolarHBondContact O-N 3.21Å; N406-T408 VanDerWaalsContact O-N 3.1Å; T408-L438 CarbonylContact O-C 3.49Å; T408-L438 VanDerWaalsContact O-CA 3.28Å; T408-L438 WeakPolarHBondContact O-CA 3.4Å; T408-K439 PolarHBondContact O-N 2.97Å
409T82.8Confident75.1Confident47 Ų4760.7 Ų60.729%0.28836%0.36SS..EExtended strand (participates in β ladder)trans-130124.2-175.1-52.10000111.6N407 K439 D441N407-T409 PolarHBondContact O-N 3.26Å; T409-K439 CarbonylContact C-O 3.54Å; T409-K439 VanDerWaalsContact CA-O 3.3Å; T409-K439 WeakPolarHBondContact CA-O 3.36Å; T409-D441 HydrophobicContact CG2-CB 3.93Å
410L84.4Confident75Confident2 Ų261.8 Ų61.81%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-77.6133.6169.9-165.480.1000109.3F393 V396 L400 V414 T429 K439 I440 D441F393-L410 HydrophobicContact CE2-CD2 4.17Å; V396-L410 HydrophobicContact CG1-CD1 3.69Å; L400-L410 HydrophobicContact CD1-CD1 3.93Å; L410-V414 HydrophobicContact CD1-CG1 4.08Å; L410-V414 HydrophobicContact CD2-CG1 4.05Å; L410-V414 HydrophobicContact CG-CB 4.34Å; L410-V414 HydrophobicContact CG-CG1 4.07Å; L410-T429 HydrophobicContact CD2-CG2 3.95Å; L410-K439 PolarHBondContact N-O 2.58Å; L410-I440 HydrophobicContact CB-CG1 4.37Å; L410-I440 HydrophobicContact CD2-CD1 4.41Å; L410-I440 HydrophobicContact CD2-CG1 4.37Å; L410-D441 PolarHBondContact O-N 2.76Å
411S85.4Confident74.4Confident54 Ų5464.6 Ų64.638%0.37838%0.381SS..  trans-66.6147.3-178.271.20000112.3E413 V414 A415S411-E413 VanDerWaalsContact C-N 3.26Å; S411-E413 PolarHBondContact O-N 2.89Å; S411-V414 PolarHBondContact O-N 3.27Å; S411-V414 VanDerWaalsContact O-N 3.15Å; S411-V414 VanDerWaalsContact OG-CG2 3.29Å; S411-V414 WeakPolarHBondContact OG-CG2 3.48Å; S411-V414 PolarHBondContact OG-N 3.28Å; S411-A415 PolarHBondContact O-N 2.87Å; S411-A415 VanDerWaalsContact O-N 3.17Å
412G83Confident74.1Confident1 Ų161 Ų611%0.0137%0.365CS..Hα-helixtrans-60.7-33.417700000113.9A415 W416 D441 Y445G412-A415 PolarHBondContact O-N 2.75Å; G412-W416 WeakPolarHBondContact O-CB 3.24Å; G412-W416 PolarHBondContact O-N 2.75Å; G412-D441 VanDerWaalsContact CA-O 3.32Å; G412-D441 WeakPolarHBondContact CA-O 3.14Å; G412-Y445 VanDerWaalsContact CA-N 3.3Å
413E79.9Confident73.7Confident144 Ų14457.9 Ų57.967%0.67334%0.34SS*.Hα-helixtrans-63-39.4173.9-72.8180167.600112.8S411 W416 G417 A448S411-E413 VanDerWaalsContact C-N 3.26Å; S411-E413 PolarHBondContact O-N 2.89Å; E413-W416 PolarHBondContact O-N 3.08Å; E413-G417 PolarHBondContact O-N 2.74Å; E413-A448 HydrophobicContact CG-CB 4.44Å
414V82.2Confident74Confident31 Ų3154.2 Ų54.219%0.18832%0.315CS..Hα-helixtrans-67.8-43.8176.5168.70000110.2F392 V396 L410 S411 W416 G417 L418F392-V414 HydrophobicContact CE1-CG1 4.31Å; V396-V414 HydrophobicContact CG1-CG1 4.14Å; V396-V414 HydrophobicContact CG2-CG1 4.19Å; L410-V414 HydrophobicContact CD1-CG1 4.08Å; L410-V414 HydrophobicContact CD2-CG1 4.05Å; L410-V414 HydrophobicContact CG-CB 4.34Å; L410-V414 HydrophobicContact CG-CG1 4.07Å; S411-V414 PolarHBondContact O-N 3.27Å; S411-V414 VanDerWaalsContact O-N 3.15Å; S411-V414 VanDerWaalsContact OG-CG2 3.29Å; S411-V414 WeakPolarHBondContact OG-CG2 3.48Å; S411-V414 PolarHBondContact OG-N 3.28Å; V414-W416 VanDerWaalsContact C-N 3.31Å; V414-W416 PolarHBondContact O-N 3.02Å; V414-G417 PolarHBondContact O-N 2.82Å; V414-L418 HydrophobicContact CG1-CD1 4.16Å; V414-L418 WeakPolarHBondContact O-CB 3.31Å; V414-L418 PolarHBondContact O-N 3.27Å
415A83.1Confident74.2Confident0 Ų051.2 Ų51.20%028%0.283CS..Hα-helixtrans-61.8-40.1175.800000111.5S411 G412 Y419 L426 T429 I440 Y445S411-A415 PolarHBondContact O-N 2.87Å; S411-A415 VanDerWaalsContact O-N 3.17Å; G412-A415 PolarHBondContact O-N 2.75Å; A415-Y419 WeakPolarHBondContact O-CB 3.36Å; A415-Y419 PolarHBondContact O-N 2.89Å; A415-L426 HydrophobicContact CB-CD1 4.23Å; A415-T429 HydrophobicContact CB-CG2 4.4Å; A415-I440 HydrophobicContact CB-CD1 4.32Å; A415-I440 HydrophobicContact CB-CG2 3.74Å; A415-Y445 HydrophobicContact CB-CD2 3.79Å; A415-Y445 HydrophobicContact CB-CE2 4.48Å
416W82.3Confident74.9Confident30 Ų3049.6 Ų49.611%0.11427%0.269CS..Hα-helixtrans-66.1-41.5173.9177.4-103.1000112.1G412 E413 V414 Y419 E420 Y445 A448 K449 A452G412-W416 WeakPolarHBondContact O-CB 3.24Å; G412-W416 PolarHBondContact O-N 2.75Å; E413-W416 PolarHBondContact O-N 3.08Å; V414-W416 VanDerWaalsContact C-N 3.31Å; V414-W416 PolarHBondContact O-N 3.02Å; W416-Y419 HydrophobicContact CD2-CD1 4.46Å; W416-Y419 AromaticContact CE3-CD1 3.65Å; W416-Y419 HydrophobicContact CE3-CD1 3.65Å; W416-Y419 HydrophobicContact CE3-CE1 4.31Å; W416-Y419 HydrophobicContact CE3-CG 4.45Å; W416-Y419 AromaticContact CH2-CD1 3.86Å; W416-Y419 HydrophobicContact CH2-CD1 3.86Å; W416-Y419 AromaticContact CH2-CE1 3.86Å; W416-Y419 HydrophobicContact CH2-CE1 3.86Å; W416-Y419 AromaticContact CZ3-CD1 3.3Å; W416-Y419 HydrophobicContact CZ3-CD1 3.3Å; W416-Y419 AromaticContact CZ3-CE1 3.51Å; W416-Y419 HydrophobicContact CZ3-CE1 3.51Å; W416-Y419 HydrophobicContact CZ3-CG 4.41Å; W416-Y419 CarbonylContact O-C 3.53Å; W416-Y419 WeakPolarHBondContact O-CA 3.36Å; W416-Y419 WeakPolarHBondContact O-CB 3.33Å; W416-Y419 PolarHBondContact O-N 3.39Å; W416-Y419 VanDerWaalsContact O-N 3.14Å; W416-E420 HydrophobicContact CZ2-CB 4.07Å; W416-E420 HydrophobicContact CZ2-CG 4.28Å; W416-E420 PolarHBondContact NE1-OE2 2.86Å; W416-E420 WeakPolarHBondContact O-CB 3.33Å; W416-E420 PolarHBondContact O-N 2.89Å; W416-Y445 HydrophobicContact CB-CD2 4.03Å; W416-Y445 HydrophobicContact CB-CE2 4.22Å; W416-Y445 AromaticContact CE3-CE2 3.86Å; W416-Y445 HydrophobicContact CE3-CE2 3.86Å; W416-Y445 AromaticContact CE3-CZ 3.89Å; W416-A448 HydrophobicContact CB-CB 3.79Å; W416-A448 HydrophobicContact CG-CB 3.86Å; W416-K449 HydrophobicContact CD2-CB 4.17Å; W416-K449 HydrophobicContact CE3-CB 3.55Å; W416-K449 HydrophobicContact CE3-CD 4.47Å; W416-K449 HydrophobicContact CE3-CG 4.1Å; W416-K449 HydrophobicContact CH2-CB 3.98Å; W416-K449 HydrophobicContact CH2-CG 3.82Å; W416-K449 HydrophobicContact CZ3-CB 3.44Å; W416-K449 VanDerWaalsContact CZ3-CB 3.44Å; W416-K449 HydrophobicContact CZ3-CD 3.86Å; W416-K449 HydrophobicContact CZ3-CG 3.45Å; W416-K449 VanDerWaalsContact CZ3-CG 3.45Å; W416-A452 HydrophobicContact CZ2-CB 3.54Å
417G72.1Confident75.1Confident18 Ų1841.9 Ų41.919%0.18623%0.228CC..Hα-helixtrans-64.1-41.1176.100000112.9E413 V414 Y419 T421E413-G417 PolarHBondContact O-N 2.74Å; V414-G417 PolarHBondContact O-N 2.82Å; G417-Y419 VanDerWaalsContact C-N 3.25Å; G417-Y419 PolarHBondContact O-N 3.02Å; G417-T421 WeakPolarHBondContact O-CA 3.48Å; G417-T421 WeakPolarHBondContact O-CB 3.42Å; G417-T421 PolarHBondContact O-N 2.95Å; G417-T421 PolarHBondContact O-OG1 2.94Å
418L77.3Confident75.4Confident0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-56.7-43.3170.5-84.1166.3000111.4F392 F393 V414 Y422 G423 F424 T429F392-L418 HydrophobicContact CD1-CD2 3.69Å; F392-L418 HydrophobicContact CD1-CG 3.99Å; F392-L418 HydrophobicContact CE1-CD2 4.33Å; F392-L418 HydrophobicContact CE1-CG 4.13Å; F393-L418 HydrophobicContact CB-CD2 4.47Å; F393-L418 HydrophobicContact CD2-CD1 3.76Å; V414-L418 HydrophobicContact CG1-CD1 4.16Å; V414-L418 WeakPolarHBondContact O-CB 3.31Å; V414-L418 PolarHBondContact O-N 3.27Å; L418-Y422 HydrophobicContact CD2-CD2 4.34Å; L418-Y422 CarbonylContact O-C 3.51Å; L418-Y422 WeakPolarHBondContact O-CA 3.39Å; L418-Y422 WeakPolarHBondContact O-CB 3.41Å; L418-Y422 PolarHBondContact O-N 3.26Å; L418-G423 PolarHBondContact O-N 3.31Å; L418-F424 HydrophobicContact CB-CB 3.99Å; L418-F424 HydrophobicContact CD2-CB 4.42Å; L418-F424 HydrophobicContact CD2-CD1 4.19Å; L418-F424 HydrophobicContact CD2-CG 4.16Å; L418-F424 WeakPolarHBondContact O-CB 3.49Å; L418-F424 PolarHBondContact O-N 2.84Å; L418-T429 HydrophobicContact CD1-CG2 3.63Å
419Y71.5Confident75.5Confident53 Ų5334.1 Ų34.121%0.20818%0.183CC..Hα-helixtrans-67.4-59.6177.6178.4-98.2000113.5Y322 A415 W416 G417 G423 F424 Y445Y322-Y419 AromaticContact CE2-CE2 3.54Å; Y322-Y419 HydrophobicContact CE2-CE2 3.54Å; Y322-Y419 AromaticContact CE2-CZ 3.62Å; Y322-Y419 WeakPolarHBondContact CE2-OH 3.28Å; Y322-Y419 AromaticContact CZ-CE2 3.68Å; Y322-Y419 AromaticContact CZ-CZ 3.85Å; Y322-Y419 WeakPolarHBondContact OH-CE2 3.48Å; Y322-Y419 PolarHBondContact OH-OH 2.7Å; A415-Y419 WeakPolarHBondContact O-CB 3.36Å; A415-Y419 PolarHBondContact O-N 2.89Å; W416-Y419 HydrophobicContact CD2-CD1 4.46Å; W416-Y419 AromaticContact CE3-CD1 3.65Å; W416-Y419 HydrophobicContact CE3-CD1 3.65Å; W416-Y419 HydrophobicContact CE3-CE1 4.31Å; W416-Y419 HydrophobicContact CE3-CG 4.45Å; W416-Y419 AromaticContact CH2-CD1 3.86Å; W416-Y419 HydrophobicContact CH2-CD1 3.86Å; W416-Y419 AromaticContact CH2-CE1 3.86Å; W416-Y419 HydrophobicContact CH2-CE1 3.86Å; W416-Y419 AromaticContact CZ3-CD1 3.3Å; W416-Y419 HydrophobicContact CZ3-CD1 3.3Å; W416-Y419 AromaticContact CZ3-CE1 3.51Å; W416-Y419 HydrophobicContact CZ3-CE1 3.51Å; W416-Y419 HydrophobicContact CZ3-CG 4.41Å; W416-Y419 CarbonylContact O-C 3.53Å; W416-Y419 WeakPolarHBondContact O-CA 3.36Å; W416-Y419 WeakPolarHBondContact O-CB 3.33Å; W416-Y419 PolarHBondContact O-N 3.39Å; W416-Y419 VanDerWaalsContact O-N 3.14Å; G417-Y419 VanDerWaalsContact C-N 3.25Å; G417-Y419 PolarHBondContact O-N 3.02Å; Y419-G423 VanDerWaalsContact O-CA 3.23Å; Y419-G423 WeakPolarHBondContact O-CA 3.36Å; Y419-G423 PolarHBondContact O-N 2.76Å; Y419-F424 WeakPolarHBondContact CA-O 3.49Å; Y419-F424 WeakPolarHBondContact CD2-O 3.36Å; Y419-Y445 HydrophobicContact CG-CE2 4.44Å
420E72.4Confident75.4Confident115 Ų11534.3 Ų34.354%0.53718%0.181SC..Hα-helixtrans-68.2-45.4-174.1-178.4179.3-151.900112.4W416W416-E420 HydrophobicContact CZ2-CB 4.07Å; W416-E420 HydrophobicContact CZ2-CG 4.28Å; W416-E420 PolarHBondContact NE1-OE2 2.86Å; W416-E420 WeakPolarHBondContact O-CB 3.33Å; W416-E420 PolarHBondContact O-N 2.89Å
421T64.5Low74.9Confident98 Ų9835 Ų3560%0.60118%0.184SC*.Hα-helixtrans-90-39.2-171.8-56.50000112.4G417G417-T421 WeakPolarHBondContact O-CA 3.48Å; G417-T421 WeakPolarHBondContact O-CB 3.42Å; G417-T421 PolarHBondContact O-N 2.95Å; G417-T421 PolarHBondContact O-OG1 2.94Å
422Y67.2Low74.7Confident67 Ų6732.5 Ų32.526%0.26317%0.166SC..Hα-helixtrans-108.7-4.7-172.4-57.2-82.2000113.2T385 R388 F392 L418 F424T385-Y422 WeakPolarHBondContact CB-O 3.18Å; R388-Y422 HydrophobicContact CB-CD1 4.29Å; F392-Y422 HydrophobicContact CB-CE2 4.3Å; F392-Y422 HydrophobicContact CD1-CD2 4.28Å; F392-Y422 AromaticContact CD1-CE2 3.83Å; F392-Y422 HydrophobicContact CD1-CE2 3.83Å; F392-Y422 HydrophobicContact CD2-CE2 4.24Å; F392-Y422 HydrophobicContact CE1-CE2 4.19Å; F392-Y422 AromaticContact CG-CE2 3.85Å; F392-Y422 HydrophobicContact CG-CE2 3.85Å; L418-Y422 HydrophobicContact CD2-CD2 4.34Å; L418-Y422 CarbonylContact O-C 3.51Å; L418-Y422 WeakPolarHBondContact O-CA 3.39Å; L418-Y422 WeakPolarHBondContact O-CB 3.41Å; L418-Y422 PolarHBondContact O-N 3.26Å; Y422-F424 VanDerWaalsContact C-N 3.28Å; Y422-F424 PolarHBondContact O-N 2.84Å
423G64.1Low74.7Confident17 Ų1732.4 Ų32.418%0.17517%0.166CC..  trans69.322.8178.800000113.9R329 L418 Y419 P425R329-G423 PolarHBondContact NH1-O 2.83Å; L418-G423 PolarHBondContact O-N 3.31Å; Y419-G423 VanDerWaalsContact O-CA 3.23Å; Y419-G423 WeakPolarHBondContact O-CA 3.36Å; Y419-G423 PolarHBondContact O-N 2.76Å; G423-P425 VanDerWaalsContact O-CD 3.27Å; G423-P425 WeakPolarHBondContact O-CD 3.16Å
424F72.6Confident74.8Confident0 Ų030 Ų300%015%0.154CC..  trans-80.2114.6176.2-88.8-128.5000109.4L386 G389 R390 L418 Y419 Y422 L428 L432L386-F424 HydrophobicContact CD1-CE1 4.29Å; L386-F424 HydrophobicContact CD1-CE2 4.33Å; L386-F424 HydrophobicContact CD1-CZ 3.75Å; L386-F424 WeakPolarHBondContact O-CZ 3.17Å; G389-F424 VanDerWaalsContact C-CZ 3.42Å; R390-F424 VanDerWaalsContact N-CZ 3.32Å; L418-F424 HydrophobicContact CB-CB 3.99Å; L418-F424 HydrophobicContact CD2-CB 4.42Å; L418-F424 HydrophobicContact CD2-CD1 4.19Å; L418-F424 HydrophobicContact CD2-CG 4.16Å; L418-F424 WeakPolarHBondContact O-CB 3.49Å; L418-F424 PolarHBondContact O-N 2.84Å; Y419-F424 WeakPolarHBondContact CA-O 3.49Å; Y419-F424 WeakPolarHBondContact CD2-O 3.36Å; Y422-F424 VanDerWaalsContact C-N 3.28Å; Y422-F424 PolarHBondContact O-N 2.84Å; F424-L428 HydrophobicContact CD1-CD2 3.76Å; F424-L428 HydrophobicContact CD1-CG 4.13Å; F424-L428 HydrophobicContact CE1-CD2 4.08Å; F424-L428 HydrophobicContact CG-CD2 4.13Å; F424-L432 HydrophobicContact CD1-CD1 4.2Å; F424-L432 HydrophobicContact CE1-CD1 3.86Å
425P65.5Low74.7Confident5 Ų532.7 Ų32.73%0.03217%0.165CC..  trans-55.1151173.2-26.237.8000112.3R326 R329 G423 D427 L428 T429R326-P425 HydrophobicContact CG-CB 3.92Å; R326-P425 HydrophobicContact CG-CG 4.25Å; R329-P425 HydrophobicContact CB-CG 4.3Å; G423-P425 VanDerWaalsContact O-CD 3.27Å; G423-P425 WeakPolarHBondContact O-CD 3.16Å; P425-D427 VanDerWaalsContact C-N 3.32Å; P425-D427 WeakPolarHBondContact CB-OD1 3.42Å; P425-D427 PolarHBondContact O-N 2.79Å; P425-L428 HydrophobicContact CB-CB 4.16Å; P425-L428 HydrophobicContact CG-CB 4.44Å; P425-L428 WeakPolarHBondContact O-CB 3.36Å; P425-L428 PolarHBondContact O-N 3.02Å; P425-T429 PolarHBondContact O-N 3.24Å; P425-T429 PolarHBondContact O-OG1 2.62Å
426L74.8Confident74.6Confident27 Ų2735.3 Ų35.314%0.14118%0.177CC..Hα-helixtrans-59.8-43.7-179.7176.862.2000111.4A415 L428 T429 Q430 I440 L442 Y445A415-L426 HydrophobicContact CB-CD1 4.23Å; L426-L428 VanDerWaalsContact C-N 3.32Å; L426-L428 PolarHBondContact O-N 3.26Å; L426-T429 CarbonylContact O-C 3.56Å; L426-T429 WeakPolarHBondContact O-CA 3.48Å; L426-T429 WeakPolarHBondContact O-CB 3.35Å; L426-T429 PolarHBondContact O-N 3.5Å; L426-Q430 HydrophobicContact CG-CG 4.48Å; L426-Q430 WeakPolarHBondContact O-CG 3.45Å; L426-Q430 PolarHBondContact O-N 2.83Å; L426-I440 HydrophobicContact CD1-CD1 4.23Å; L426-I440 HydrophobicContact CD1-CG2 4.31Å; L426-L442 HydrophobicContact CD1-CD2 4.34Å; L426-L442 HydrophobicContact CD2-CD2 3.86Å; L426-L442 HydrophobicContact CG-CD2 4.43Å; L426-Y445 HydrophobicContact CB-CE2 4.43Å; L426-Y445 HydrophobicContact CD1-CD1 4.37Å; L426-Y445 HydrophobicContact CD1-CD2 3.87Å; L426-Y445 HydrophobicContact CD1-CE1 4.49Å; L426-Y445 HydrophobicContact CD1-CE2 3.96Å; L426-Y445 HydrophobicContact CD1-CG 4.07Å; L426-Y445 HydrophobicContact CD2-CD1 3.82Å; L426-Y445 HydrophobicContact CD2-CE1 3.72Å; L426-Y445 HydrophobicContact CD2-CG 4.34Å; L426-Y445 HydrophobicContact CG-CE1 4.48Å
427D68.2Low74.6Confident2 Ų241.9 Ų41.91%0.01121%0.209CC..Hα-helixtrans-60.9-40.8176.960.8-51.6000112.4D86 R326 R330 P425 T429 Q430 I431D86-D427 WeakPolarHBondContact OD1-CB 3.46Å; R326-D427 IonicContact CZ-OD1 3.75Å; R326-D427 IonicContact NE-OD1 3.58Å; R326-D427 PolarHBondContact NE-OD1 3.29Å; R326-D427 IonicContact NE-OD2 3.88Å; R326-D427 VanDerWaalsContact NH2-CB 3.29Å; R326-D427 IonicContact NH2-OD1 3.93Å; R326-D427 IonicContact NH2-OD2 2.87Å; R330-D427 IonicContact NH1-OD2 3.58Å; P425-D427 VanDerWaalsContact C-N 3.32Å; P425-D427 WeakPolarHBondContact CB-OD1 3.42Å; P425-D427 PolarHBondContact O-N 2.79Å; D427-T429 VanDerWaalsContact C-N 3.25Å; D427-T429 PolarHBondContact O-N 3.35Å; D427-Q430 WeakPolarHBondContact O-CB 3.05Å; D427-Q430 PolarHBondContact O-N 3.42Å; D427-Q430 VanDerWaalsContact O-N 3.15Å; D427-I431 VanDerWaalsContact O-CG1 3.31Å; D427-I431 WeakPolarHBondContact O-CG1 3.38Å; D427-I431 PolarHBondContact O-N 3.01Å
428L73.1Confident75.3Confident5 Ų542 Ų423%0.02621%0.205CC..Hα-helixtrans-59.7-43174.1172.358.7000110.8R333 F382 L386 F424 P425 L426 Q430 I431 L432R333-L428 HydrophobicContact CG-CD1 4.36Å; F382-L428 HydrophobicContact CZ-CD2 3.93Å; L386-L428 HydrophobicContact CD1-CD2 4.42Å; F424-L428 HydrophobicContact CD1-CD2 3.76Å; F424-L428 HydrophobicContact CD1-CG 4.13Å; F424-L428 HydrophobicContact CE1-CD2 4.08Å; F424-L428 HydrophobicContact CG-CD2 4.13Å; P425-L428 HydrophobicContact CB-CB 4.16Å; P425-L428 HydrophobicContact CG-CB 4.44Å; P425-L428 WeakPolarHBondContact O-CB 3.36Å; P425-L428 PolarHBondContact O-N 3.02Å; L426-L428 VanDerWaalsContact C-N 3.32Å; L426-L428 PolarHBondContact O-N 3.26Å; L428-Q430 VanDerWaalsContact C-N 3.32Å; L428-I431 PolarHBondContact O-N 2.87Å; L428-L432 HydrophobicContact CD1-CD1 4.08Å; L428-L432 HydrophobicContact CD1-CG 4.27Å; L428-L432 HydrophobicContact CG-CD1 4.17Å; L428-L432 WeakPolarHBondContact O-CG 3.42Å; L428-L432 PolarHBondContact O-N 2.86Å
429T78.8Confident75.7Confident0 Ų049.5 Ų49.50%024%0.238CC..Hα-helixtrans-64.9-39.2177.1-47.50000110.9F393 L410 A415 L418 P425 L426 D427 L432 A433 I440F393-T429 HydrophobicContact CD2-CG2 4.44Å; F393-T429 HydrophobicContact CE2-CG2 4.17Å; L410-T429 HydrophobicContact CD2-CG2 3.95Å; A415-T429 HydrophobicContact CB-CG2 4.4Å; L418-T429 HydrophobicContact CD1-CG2 3.63Å; P425-T429 PolarHBondContact O-N 3.24Å; P425-T429 PolarHBondContact O-OG1 2.62Å; L426-T429 CarbonylContact O-C 3.56Å; L426-T429 WeakPolarHBondContact O-CA 3.48Å; L426-T429 WeakPolarHBondContact O-CB 3.35Å; L426-T429 PolarHBondContact O-N 3.5Å; D427-T429 VanDerWaalsContact C-N 3.25Å; D427-T429 PolarHBondContact O-N 3.35Å; T429-L432 PolarHBondContact O-N 3.35Å; T429-A433 WeakPolarHBondContact O-CB 3.48Å; T429-A433 PolarHBondContact O-N 3.08Å; T429-I440 HydrophobicContact CG2-CD1 3.5Å
430Q80.2Confident76.3Confident52 Ų5247.9 Ų47.924%0.24323%0.232CC..Hα-helixtrans-63.3-47176.9-71.3174.5-58.400111.3L426 D427 L428 L432 A433 E434 I440L426-Q430 HydrophobicContact CG-CG 4.48Å; L426-Q430 WeakPolarHBondContact O-CG 3.45Å; L426-Q430 PolarHBondContact O-N 2.83Å; D427-Q430 WeakPolarHBondContact O-CB 3.05Å; D427-Q430 PolarHBondContact O-N 3.42Å; D427-Q430 VanDerWaalsContact O-N 3.15Å; L428-Q430 VanDerWaalsContact C-N 3.32Å; Q430-L432 VanDerWaalsContact C-N 3.35Å; Q430-L432 PolarHBondContact O-N 2.93Å; Q430-A433 WeakPolarHBondContact O-CB 3.29Å; Q430-A433 PolarHBondContact O-N 3.02Å; Q430-A433 VanDerWaalsContact O-N 3.16Å; Q430-E434 WeakPolarHBondContact O-CG 3.33Å; Q430-E434 PolarHBondContact O-N 3.27Å; Q430-I440 HydrophobicContact CB-CD1 4.27Å; Q430-I440 HydrophobicContact CG-CB 4.49Å; Q430-I440 HydrophobicContact CG-CD1 3.68Å; Q430-I440 HydrophobicContact CG-CG1 4.2Å
431I75Confident77Confident16 Ų1645.4 Ų45.48%0.08222%0.223CC..Hα-helixtrans-60.8-45178.4-64.5163.4000110.6R333 D427 L428 A433 E434 E435R333-I431 VanDerWaalsContact NH1-CG2 3.32Å; D427-I431 VanDerWaalsContact O-CG1 3.31Å; D427-I431 WeakPolarHBondContact O-CG1 3.38Å; D427-I431 PolarHBondContact O-N 3.01Å; L428-I431 PolarHBondContact O-N 2.87Å; I431-A433 VanDerWaalsContact C-N 3.33Å; I431-A433 PolarHBondContact O-N 2.56Å; I431-E434 PolarHBondContact O-N 2.66Å; I431-E435 WeakPolarHBondContact O-CG 3.42Å; I431-E435 PolarHBondContact O-N 3.1Å
432L79.8Confident77.9Confident1 Ų144.5 Ų44.51%0.00521%0.214CC..Hα-helixtrans-64.7-35.9176.4-71.5169.7000112.5F393 F424 L428 T429 Q430 H436F393-L432 HydrophobicContact CD1-CB 4.47Å; F393-L432 HydrophobicContact CE1-CB 3.85Å; F393-L432 HydrophobicContact CE2-CB 4.06Å; F393-L432 HydrophobicContact CZ-CB 3.63Å; F424-L432 HydrophobicContact CD1-CD1 4.2Å; F424-L432 HydrophobicContact CE1-CD1 3.86Å; L428-L432 HydrophobicContact CD1-CD1 4.08Å; L428-L432 HydrophobicContact CD1-CG 4.27Å; L428-L432 HydrophobicContact CG-CD1 4.17Å; L428-L432 WeakPolarHBondContact O-CG 3.42Å; L428-L432 PolarHBondContact O-N 2.86Å; T429-L432 PolarHBondContact O-N 3.35Å; Q430-L432 VanDerWaalsContact C-N 3.35Å; Q430-L432 PolarHBondContact O-N 2.93Å; L432-H436 PolarHBondContact O-CD2 2.9Å; L432-H436 VanDerWaalsContact O-CD2 3.3Å
433A84.2Confident78.6Confident0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-65.7-45.3174.700000111T429 Q430 I431 E435 H436 H437 L438 I440T429-A433 WeakPolarHBondContact O-CB 3.48Å; T429-A433 PolarHBondContact O-N 3.08Å; Q430-A433 WeakPolarHBondContact O-CB 3.29Å; Q430-A433 PolarHBondContact O-N 3.02Å; Q430-A433 VanDerWaalsContact O-N 3.16Å; I431-A433 VanDerWaalsContact C-N 3.33Å; I431-A433 PolarHBondContact O-N 2.56Å; A433-E435 VanDerWaalsContact C-N 3.34Å; A433-E435 PolarHBondContact O-N 3.03Å; A433-H436 CarbonylContact O-C 3.51Å; A433-H436 WeakPolarHBondContact O-CA 3.09Å; A433-H436 PolarHBondContact O-N 3.48Å; A433-H437 PolarHBondContact O-N 3.1Å; A433-L438 CarbonylContact C-O 3.55Å; A433-L438 HydrophobicContact CB-CB 4.06Å; A433-L438 WeakPolarHBondContact O-CA 2.76Å; A433-L438 WeakPolarHBondContact O-CB 3.47Å; A433-L438 PolarHBondContact O-N 3.07Å; A433-I440 HydrophobicContact CB-CD1 4.45Å; A433-I440 HydrophobicContact CB-CG1 4.03Å
434E82.2Confident79.5Confident92 Ų9248 Ų4843%0.4324%0.238SC..Hα-helixtrans-60.9-39.3178.1-74.5175.117300112.2R90 Q430 I431 H436 H437 L438R90-E434 IonicContact CZ-OE2 2.73Å; R90-E434 IonicContact NH1-OE1 3.45Å; R90-E434 IonicContact NH1-OE2 3.63Å; R90-E434 IonicContact NH2-OE1 3.98Å; R90-E434 IonicContact NH2-OE2 3.43Å; R90-E434 PolarHBondContact NH2-OE2 3.01Å; Q430-E434 WeakPolarHBondContact O-CG 3.33Å; Q430-E434 PolarHBondContact O-N 3.27Å; I431-E434 PolarHBondContact O-N 2.66Å; E434-H436 PolarHBondContact O-N 3.35Å; E434-H436 VanDerWaalsContact O-N 3.14Å; E434-H437 PolarHBondContact O-N 3.13Å; E434-L438 PolarHBondContact N-O 3.28Å
435E79.7Confident79.9Confident89 Ų8948.3 Ų48.342%0.41624%0.239SC..Hα-helixtrans-58.6-22.7173-75.6170-166.600113.2R333 I431 A433R333-E435 IonicContact CZ-OE1 2.58Å; R333-E435 VanDerWaalsContact NH2-CD 3.3Å; R333-E435 IonicContact NH2-OE1 3.51Å; R333-E435 PolarHBondContact NH2-OE1 3.01Å; R333-E435 IonicContact NH2-OE2 2.71Å; R333-E435 PolarHBondContact NH2-OE2 3.37Å; I431-E435 WeakPolarHBondContact O-CG 3.42Å; I431-E435 PolarHBondContact O-N 3.1Å; A433-E435 VanDerWaalsContact C-N 3.34Å; A433-E435 PolarHBondContact O-N 3.03Å
436H81.2Confident80.4Confident55 Ų5552.3 Ų52.326%0.25526%0.257SS..THydrogen-bonded Turntrans-106.113.7174.2-69.9-62.5000113.9F393 I397 L432 A433 E434 L438F393-H436 AromaticContact CE1-CD2 3.73Å; I397-H436 HydrophobicContact CD1-CB 4.43Å; L432-H436 PolarHBondContact O-CD2 2.9Å; L432-H436 VanDerWaalsContact O-CD2 3.3Å; A433-H436 CarbonylContact O-C 3.51Å; A433-H436 WeakPolarHBondContact O-CA 3.09Å; A433-H436 PolarHBondContact O-N 3.48Å; E434-H436 PolarHBondContact O-N 3.35Å; E434-H436 VanDerWaalsContact O-N 3.14Å; H436-L438 HydrophobicContact CB-CD1 4.46Å; H436-L438 HydrophobicContact CB-CG 4.37Å; H436-L438 PolarHBondContact O-N 2.98Å
437H83.1Confident80.6Confident167 Ų16757.2 Ų57.277%0.77328%0.277SS*.THydrogen-bonded Turntrans59.332.7-176.7-49.3-61.2000113.8A433 E434A433-H437 PolarHBondContact O-N 3.1Å; E434-H437 PolarHBondContact O-N 3.13Å
438L85.6Confident81Confident22 Ų2257.6 Ų57.612%0.11528%0.281CS..  trans-109.3152.3174.6-58.9178.3000111I397 T408 A433 E434 H436I397-L438 HydrophobicContact CD1-CD1 3.17Å; T408-L438 CarbonylContact O-C 3.49Å; T408-L438 VanDerWaalsContact O-CA 3.28Å; T408-L438 WeakPolarHBondContact O-CA 3.4Å; A433-L438 CarbonylContact C-O 3.55Å; A433-L438 HydrophobicContact CB-CB 4.06Å; A433-L438 WeakPolarHBondContact O-CA 2.76Å; A433-L438 WeakPolarHBondContact O-CB 3.47Å; A433-L438 PolarHBondContact O-N 3.07Å; E434-L438 PolarHBondContact N-O 3.28Å; H436-L438 HydrophobicContact CB-CD1 4.46Å; H436-L438 HydrophobicContact CB-CG 4.37Å; H436-L438 PolarHBondContact O-N 2.98Å
439K85.9Confident81.1Confident156 Ų15660 Ų6068%0.67829%0.291SS*.EExtended strand (participates in β ladder)trans-104.6166167.2-65.6-173.6176.4-174.70109.9T408 T409 L410T408-K439 PolarHBondContact O-N 2.97Å; T409-K439 CarbonylContact C-O 3.54Å; T409-K439 VanDerWaalsContact CA-O 3.3Å; T409-K439 WeakPolarHBondContact CA-O 3.36Å; L410-K439 PolarHBondContact N-O 2.58Å
440I83.3Confident80.7Confident19 Ų1965.6 Ų65.610%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-106.9138.4171.4-59.6-170.5000109.2L410 A415 L426 T429 Q430 A433 L442L410-I440 HydrophobicContact CB-CG1 4.37Å; L410-I440 HydrophobicContact CD2-CD1 4.41Å; L410-I440 HydrophobicContact CD2-CG1 4.37Å; A415-I440 HydrophobicContact CB-CD1 4.32Å; A415-I440 HydrophobicContact CB-CG2 3.74Å; L426-I440 HydrophobicContact CD1-CD1 4.23Å; L426-I440 HydrophobicContact CD1-CG2 4.31Å; T429-I440 HydrophobicContact CG2-CD1 3.5Å; Q430-I440 HydrophobicContact CB-CD1 4.27Å; Q430-I440 HydrophobicContact CG-CB 4.49Å; Q430-I440 HydrophobicContact CG-CD1 3.68Å; Q430-I440 HydrophobicContact CG-CG1 4.2Å; A433-I440 HydrophobicContact CB-CD1 4.45Å; A433-I440 HydrophobicContact CB-CG1 4.03Å; I440-L442 PolarHBondContact O-N 2.85Å
441D87.3Confident80.2Confident64 Ų6467.3 Ų67.334%0.34233%0.325SS..  trans-7290.8166.4174.718.9000110.5T409 L410 G412 N443 G444 Y445T409-D441 HydrophobicContact CG2-CB 3.93Å; L410-D441 PolarHBondContact O-N 2.76Å; G412-D441 VanDerWaalsContact CA-O 3.32Å; G412-D441 WeakPolarHBondContact CA-O 3.14Å; D441-N443 VanDerWaalsContact C-N 3.34Å; D441-N443 PolarHBondContact OD1-N 3.43Å; D441-G444 PolarHBondContact O-N 2.79Å; D441-G444 PolarHBondContact OD1-N 2.87Å; D441-G444 WeakPolarHBondContact OD2-CA 3.4Å; D441-G444 PolarHBondContact OD2-N 3.42Å; D441-Y445 PolarHBondContact O-N 2.89Å
442L83.6Confident79.5Confident79 Ų7967.2 Ų67.241%0.41433%0.327SS..Hα-helixtrans-64.5-35.8-179.9-68.6175.3000112.8L426 I440 Y445 E446L426-L442 HydrophobicContact CD1-CD2 4.34Å; L426-L442 HydrophobicContact CD2-CD2 3.86Å; L426-L442 HydrophobicContact CG-CD2 4.43Å; I440-L442 PolarHBondContact O-N 2.85Å; L442-Y445 WeakPolarHBondContact O-CB 3.5Å; L442-Y445 PolarHBondContact O-N 2.48Å; L442-E446 PolarHBondContact O-N 2.86Å
443N82.9Confident78.2Confident137 Ų13771.2 Ų71.273%0.73335%0.346SS*.Hα-helixtrans-67.3-43.3177.9-73.7-19.7000110.7D441 Y445 E446 K447D441-N443 VanDerWaalsContact C-N 3.34Å; D441-N443 PolarHBondContact OD1-N 3.43Å; N443-Y445 VanDerWaalsContact C-N 3.27Å; N443-Y445 PolarHBondContact O-N 2.89Å; N443-E446 PolarHBondContact O-N 2.84Å; N443-K447 WeakPolarHBondContact O-CB 3.42Å; N443-K447 PolarHBondContact O-N 2.71Å
444G81.7Confident76.5Confident19 Ų1976.9 Ų76.920%0.19637%0.374CS..Hα-helixtrans-61.9-34.7173.100000112.9D441 A448D441-G444 PolarHBondContact O-N 2.79Å; D441-G444 PolarHBondContact OD1-N 2.87Å; D441-G444 WeakPolarHBondContact OD2-CA 3.4Å; D441-G444 PolarHBondContact OD2-N 3.42Å; G444-A448 WeakPolarHBondContact O-CB 3.42Å; G444-A448 PolarHBondContact O-N 2.82Å
445Y81Confident74.8Confident7 Ų781.2 Ų81.23%0.02739%0.387CS..Hα-helixtrans-66.4-49.4177.9173-89.9000111.2G412 A415 W416 Y419 L426 D441 L442 N443 K447 A448 K449G412-Y445 VanDerWaalsContact CA-N 3.3Å; A415-Y445 HydrophobicContact CB-CD2 3.79Å; A415-Y445 HydrophobicContact CB-CE2 4.48Å; W416-Y445 HydrophobicContact CB-CD2 4.03Å; W416-Y445 HydrophobicContact CB-CE2 4.22Å; W416-Y445 AromaticContact CE3-CE2 3.86Å; W416-Y445 HydrophobicContact CE3-CE2 3.86Å; W416-Y445 AromaticContact CE3-CZ 3.89Å; Y419-Y445 HydrophobicContact CG-CE2 4.44Å; L426-Y445 HydrophobicContact CB-CE2 4.43Å; L426-Y445 HydrophobicContact CD1-CD1 4.37Å; L426-Y445 HydrophobicContact CD1-CD2 3.87Å; L426-Y445 HydrophobicContact CD1-CE1 4.49Å; L426-Y445 HydrophobicContact CD1-CE2 3.96Å; L426-Y445 HydrophobicContact CD1-CG 4.07Å; L426-Y445 HydrophobicContact CD2-CD1 3.82Å; L426-Y445 HydrophobicContact CD2-CE1 3.72Å; L426-Y445 HydrophobicContact CD2-CG 4.34Å; L426-Y445 HydrophobicContact CG-CE1 4.48Å; D441-Y445 PolarHBondContact O-N 2.89Å; L442-Y445 WeakPolarHBondContact O-CB 3.5Å; L442-Y445 PolarHBondContact O-N 2.48Å; N443-Y445 VanDerWaalsContact C-N 3.27Å; N443-Y445 PolarHBondContact O-N 2.89Å; Y445-K447 VanDerWaalsContact C-N 3.3Å; Y445-K447 PolarHBondContact O-N 2.9Å; Y445-A448 PolarHBondContact O-N 2.79Å; Y445-K449 HydrophobicContact CE1-CD 4.11Å; Y445-K449 WeakPolarHBondContact O-CB 3.03Å; Y445-K449 PolarHBondContact O-N 3.12Å
446E77.6Confident72.7Confident89 Ų8981 Ų8142%0.41640%0.396SS..Hα-helixtrans-62.6-38.3178.1-72.7-59.2144.400111.6L442 N443 K449 E450L442-E446 PolarHBondContact O-N 2.86Å; N443-E446 PolarHBondContact O-N 2.84Å; E446-K449 WeakPolarHBondContact O-CB 3.37Å; E446-K449 PolarHBondContact O-N 3.35Å; E446-K449 IonicContact OE1-NZ 2.58Å; E446-K449 PolarHBondContact OE1-NZ 2.66Å; E446-K449 IonicContact OE2-NZ 3.84Å; E446-K449 PolarHBondContact OE2-NZ 2.99Å; E446-E450 WeakPolarHBondContact O-CB 3.21Å; E446-E450 PolarHBondContact O-N 3.4Å
447K79Confident70.4Confident130 Ų13084.8 Ų84.857%0.56541%0.413SS*.Hα-helixtrans-62.3-47.5174.4-170.2-177.7177-169.70112.5N443 Y445 K449 E450 E451N443-K447 WeakPolarHBondContact O-CB 3.42Å; N443-K447 PolarHBondContact O-N 2.71Å; Y445-K447 VanDerWaalsContact C-N 3.3Å; Y445-K447 PolarHBondContact O-N 2.9Å; K447-K449 VanDerWaalsContact C-N 3.29Å; K447-K449 PolarHBondContact O-N 3.13Å; K447-E450 PolarHBondContact O-N 2.61Å; K447-E451 VanDerWaalsContact CE-OE1 3.3Å; K447-E451 WeakPolarHBondContact CE-OE1 3.29Å; K447-E451 WeakPolarHBondContact O-CG 3.14Å; K447-E451 PolarHBondContact O-N 2.96Å
448A76.3Confident67.7Low10 Ų1082.4 Ų82.48%0.08342%0.416CS..Hα-helixtrans-62.3-37.3178.300000112.3E413 W416 G444 Y445 A452E413-A448 HydrophobicContact CG-CB 4.44Å; W416-A448 HydrophobicContact CB-CB 3.79Å; W416-A448 HydrophobicContact CG-CB 3.86Å; G444-A448 WeakPolarHBondContact O-CB 3.42Å; G444-A448 PolarHBondContact O-N 2.82Å; Y445-A448 PolarHBondContact O-N 2.79Å; A448-A452 PolarHBondContact O-N 2.82Å; A448-A452 VanDerWaalsContact O-N 3.1Å
449K74.3Confident64.9Low56 Ų5692.5 Ų92.524%0.24345%0.452CS..Hα-helixtrans-64.3-46.6173.6173.9175.4158-145.80112.4W416 Y445 E446 K447 A452 Q453W416-K449 HydrophobicContact CD2-CB 4.17Å; W416-K449 HydrophobicContact CE3-CB 3.55Å; W416-K449 HydrophobicContact CE3-CD 4.47Å; W416-K449 HydrophobicContact CE3-CG 4.1Å; W416-K449 HydrophobicContact CH2-CB 3.98Å; W416-K449 HydrophobicContact CH2-CG 3.82Å; W416-K449 HydrophobicContact CZ3-CB 3.44Å; W416-K449 VanDerWaalsContact CZ3-CB 3.44Å; W416-K449 HydrophobicContact CZ3-CD 3.86Å; W416-K449 HydrophobicContact CZ3-CG 3.45Å; W416-K449 VanDerWaalsContact CZ3-CG 3.45Å; Y445-K449 HydrophobicContact CE1-CD 4.11Å; Y445-K449 WeakPolarHBondContact O-CB 3.03Å; Y445-K449 PolarHBondContact O-N 3.12Å; E446-K449 WeakPolarHBondContact O-CB 3.37Å; E446-K449 PolarHBondContact O-N 3.35Å; E446-K449 IonicContact OE1-NZ 2.58Å; E446-K449 PolarHBondContact OE1-NZ 2.66Å; E446-K449 IonicContact OE2-NZ 3.84Å; E446-K449 PolarHBondContact OE2-NZ 2.99Å; K447-K449 VanDerWaalsContact C-N 3.29Å; K447-K449 PolarHBondContact O-N 3.13Å; K449-A452 WeakPolarHBondContact O-CB 3.35Å; K449-A452 PolarHBondContact O-N 2.9Å; K449-Q453 WeakPolarHBondContact O-CG 2.92Å; K449-Q453 PolarHBondContact O-N 3.06Å
450E70.9Confident62.1Low117 Ų11795 Ų9555%0.54746%0.463SS..Hα-helixtrans-62.1-45.2177.6-170.6178.6-170.300111.2E446 K447 A452 Q453 I454E446-E450 WeakPolarHBondContact O-CB 3.21Å; E446-E450 PolarHBondContact O-N 3.4Å; K447-E450 PolarHBondContact O-N 2.61Å; E450-A452 VanDerWaalsContact C-N 3.27Å; E450-A452 PolarHBondContact O-N 2.95Å; E450-Q453 PolarHBondContact O-N 2.77Å; E450-Q453 VanDerWaalsContact O-N 3.1Å; E450-I454 HydrophobicContact CG-CD1 4.03Å; E450-I454 WeakPolarHBondContact O-CG1 3.32Å; E450-I454 PolarHBondContact O-N 3.14Å
451E70.3Confident59.3Low88 Ų88100.8 Ų100.841%0.41150%0.504SS..Hα-helixtrans-60.7-34.2175.3-72.4177.4-174.900112.6K447 R455K447-E451 VanDerWaalsContact CE-OE1 3.3Å; K447-E451 WeakPolarHBondContact CE-OE1 3.29Å; K447-E451 WeakPolarHBondContact O-CG 3.14Å; K447-E451 PolarHBondContact O-N 2.96Å; E451-R455 WeakPolarHBondContact O-CG 3.47Å; E451-R455 PolarHBondContact O-N 3.35Å; E451-R455 PolarHBondContact O-NE 3.23Å
452A60.2Low56.4Low14 Ų14104.3 Ų104.312%0.11653%0.528CS..Hα-helixtrans-71.1-40.9172.400000112.5W416 A448 K449 E450 R455 S456W416-A452 HydrophobicContact CZ2-CB 3.54Å; A448-A452 PolarHBondContact O-N 2.82Å; A448-A452 VanDerWaalsContact O-N 3.1Å; K449-A452 WeakPolarHBondContact O-CB 3.35Å; K449-A452 PolarHBondContact O-N 2.9Å; E450-A452 VanDerWaalsContact C-N 3.27Å; E450-A452 PolarHBondContact O-N 2.95Å; A452-R455 PolarHBondContact O-N 2.73Å; A452-S456 PolarHBondContact O-N 2.81Å
453Q51.2Low53.6Low86 Ų86104.9 Ų104.940%0.40255%0.552SS.*Hα-helixtrans-64.5-45.5177.5-74.8-179.2-600112K449 E450 R455 S456 Q457K449-Q453 WeakPolarHBondContact O-CG 2.92Å; K449-Q453 PolarHBondContact O-N 3.06Å; E450-Q453 PolarHBondContact O-N 2.77Å; E450-Q453 VanDerWaalsContact O-N 3.1Å; Q453-R455 VanDerWaalsContact C-N 3.26Å; Q453-R455 PolarHBondContact O-N 3.43Å; Q453-S456 WeakPolarHBondContact O-CA 3.47Å; Q453-S456 PolarHBondContact O-N 2.83Å; Q453-S456 PolarHBondContact O-OG 3.38Å; Q453-Q457 WeakPolarHBondContact O-CG 3.23Å; Q453-Q457 PolarHBondContact O-N 2.85Å
454I49Very low51Low118 Ų118101.4 Ų101.461%0.60555%0.549SS*.Hα-helixtrans-58.6-39.3176.9-67.6168.1000110.9E450 S456E450-I454 HydrophobicContact CG-CD1 4.03Å; E450-I454 WeakPolarHBondContact O-CG1 3.32Å; E450-I454 PolarHBondContact O-N 3.14Å; I454-S456 PolarHBondContact O-N 3.15Å; I454-S456 VanDerWaalsContact O-N 3.15Å
455R46.8Very low49.2Very low183 Ų183105.5 Ų105.569%0.69158%0.575SS**Hα-helixtrans-62.5-18174.9-77.5179.2-74-169.71.3113.7E451 A452 Q453E451-R455 WeakPolarHBondContact O-CG 3.47Å; E451-R455 PolarHBondContact O-N 3.35Å; E451-R455 PolarHBondContact O-NE 3.23Å; A452-R455 PolarHBondContact O-N 2.73Å; Q453-R455 VanDerWaalsContact C-N 3.26Å; Q453-R455 PolarHBondContact O-N 3.43Å
456S36.5Very low48.4Very low86 Ų86111.6 Ų111.660%0.60161%0.606SS**Hα-helixtrans-105.6-15.2-175.4730000116A452 Q453 I454 S458A452-S456 PolarHBondContact O-N 2.81Å; Q453-S456 WeakPolarHBondContact O-CA 3.47Å; Q453-S456 PolarHBondContact O-N 2.83Å; Q453-S456 PolarHBondContact O-OG 3.38Å; I454-S456 PolarHBondContact O-N 3.15Å; I454-S456 VanDerWaalsContact O-N 3.15Å; S456-S458 PolarHBondContact O-N 2.9Å
457Q32.4Very low48.5Very low133 Ų133108.4 Ų108.462%0.62159%0.592SS**  trans-100.634.2-163.2-75.9-175.86.700116.9Q453 R459Q453-Q457 WeakPolarHBondContact O-CG 3.23Å; Q453-Q457 PolarHBondContact O-N 2.85Å; Q457-R459 PolarHBondContact O-N 3.26Å
458S26Very low48.7Very low118 Ų118104.3 Ų104.383%0.82558%0.576SS**  trans-67.315.3-174.341.70000117.8S456S456-S458 PolarHBondContact O-N 2.9Å
459R26.1Very low49Very low233 Ų233104.2 Ų104.288%0.87957%0.574SS**  trans-156.1104.4173.1-64.2-176.1-164.4160.38.5114.7Q457Q457-R459 PolarHBondContact O-N 3.26Å
460K27.7Very low49.4Very low210 Ų210104.6 Ų104.691%0.91358%0.581SS**  trans-171.3122.5138.3-106.6175.3-176.1-172.80111
461C25.5Very low49.6Very low140 Ų140100 Ų10095%0.94656%0.561SS**  trans-78.8146.1178.8-70.60000112.2
462T25Very low50.1Low138 Ų13898.5 Ų98.585%0.84755%0.554SS**  trans-93.4144.8-17444.40000113.7
463G25.6Very low51.4Low90 Ų9098.1 Ų98.193%0.92855%0.551SS**  trans8389.913500000118.9
464G27.2Very low53Low64 Ų6494.3 Ų94.366%0.6653%0.533SS*.  trans-134.5136.9158.200000109.6I466G464-I466 PolarHBondContact O-N 3.45Å
465S43.9Very low54.7Low106 Ų10690.2 Ų90.274%0.74152%0.517SS*.  trans-58.4116.2175.91690000110
466I64.3Low56.8Low135 Ų13585 Ų8569%0.69250%0.501SS*.  trans-80.9120.2-177.6-56.8172.1000108.5G464 D468G464-I466 PolarHBondContact O-N 3.45Å; I466-D468 HydrophobicContact CG2-CB 4.22Å; I466-D468 PolarHBondContact O-N 3.11Å
467I79.7Confident59.4Low22 Ų2281 Ų8111%0.11347%0.472CS..  trans-79.1111.9167-60.4-177.9000106.8L514 M529 I578I467-L514 HydrophobicContact CG2-CD2 3.87Å; I467-M529 HydrophobicContact CD1-CB 3.78Å; I467-M529 HydrophobicContact CD1-CE 4.14Å; I467-I578 HydrophobicContact CG2-CG1 4.48Å; I467-I578 WeakPolarHBondContact O-CD1 3.39Å
468D83.1Confident61.9Low43 Ų4379 Ų7923%0.2346%0.461CS..  trans-148.8159.1175.2-157.3-6000110.5I466 T470 R571I466-D468 HydrophobicContact CG2-CB 4.22Å; I466-D468 PolarHBondContact O-N 3.11Å; D468-T470 PolarHBondContact O-N 3.07Å; D468-T470 VanDerWaalsContact O-N 3.15Å; D468-R571 WeakPolarHBondContact OD1-CG 3.41Å; D468-R571 IonicContact OD1-CZ 2.67Å; D468-R571 IonicContact OD1-NE 3.3Å; D468-R571 PolarHBondContact OD1-NE 3.26Å; D468-R571 IonicContact OD1-NH2 3.59Å; D468-R571 IonicContact OD2-CZ 3.29Å; D468-R571 IonicContact OD2-NE 3.1Å; D468-R571 PolarHBondContact OD2-NE 3.33Å; D468-R571 IonicContact OD2-NH2 2.71Å; D468-R571 PolarHBondContact OD2-NH2 2.94Å
469L84.1Confident64.9Low8 Ų877.6 Ų77.64%0.04245%0.452CS..  trans-80.694.1173.7-70.3170.6000109.8A473 L474 L477 L514 F519 I533 R571 L576L469-A473 HydrophobicContact CD2-CB 3.9Å; L469-L474 HydrophobicContact CB-CD2 3.98Å; L469-L474 HydrophobicContact CB-CG 4.14Å; L469-L474 HydrophobicContact CD1-CD2 4.12Å; L469-L477 HydrophobicContact CD1-CD1 4.25Å; L469-L477 HydrophobicContact CD2-CD1 3.99Å; L469-L514 HydrophobicContact CD2-CD2 4.15Å; L469-F519 HydrophobicContact CD2-CE1 4.14Å; L469-F519 HydrophobicContact CD2-CZ 3.63Å; L469-I533 HydrophobicContact CD1-CD1 3.95Å; L469-I533 HydrophobicContact CD2-CD1 4.17Å; L469-R571 HydrophobicContact CB-CB 3.92Å; L469-R571 HydrophobicContact CB-CG 4.09Å; L469-R571 HydrophobicContact CD1-CB 4.11Å; L469-L576 HydrophobicContact CD1-CB 4.2Å; L469-L576 HydrophobicContact CD1-CD1 4.42Å; L469-L576 HydrophobicContact CG-CD1 4.26Å; L469-L576 HydrophobicContact CG-CD2 4.2Å
470T81.7Confident67.9Low64 Ų6471.2 Ų71.239%0.39343%0.43SS..  trans-61165.117166.80000111.9D468 H472 A473 L474D468-T470 PolarHBondContact O-N 3.07Å; D468-T470 VanDerWaalsContact O-N 3.15Å; T470-H472 PolarHBondContact O-N 3.02Å; T470-A473 WeakPolarHBondContact O-CB 3.38Å; T470-A473 PolarHBondContact O-N 3.12Å; T470-A473 PolarHBondContact OG1-N 2.8Å; T470-L474 PolarHBondContact O-N 3.06Å
471V75.3Confident70.9Confident20 Ų2068.4 Ų68.412%0.12143%0.425CS..Hα-helixtrans-51.7-40.5175172.70000111.8Q54 T56 L474 A475Q54-V471 HydrophobicContact CB-CG2 4.02Å; Q54-V471 HydrophobicContact CG-CG2 4.5Å; Q54-V471 VanDerWaalsContact O-CG1 3.29Å; Q54-V471 WeakPolarHBondContact O-CG1 3.36Å; T56-V471 HydrophobicContact CG2-CG2 4.25Å; V471-L474 PolarHBondContact O-N 3.37Å; V471-A475 WeakPolarHBondContact O-CB 3.34Å; V471-A475 PolarHBondContact O-N 2.69Å
472H81.3Confident74Confident58 Ų5863.2 Ų63.227%0.26939%0.388SS..Hα-helixtrans-70.3-38.3177.6-64.1-67000112.9E225 K231 T470 A475 E476E225-H472 IonicContact OE1-NE2 2.61Å; K231-H472 WeakPolarHBondContact CB-NE2 3.39Å; K231-H472 WeakPolarHBondContact CD-NE2 3.39Å; T470-H472 PolarHBondContact O-N 3.02Å; H472-A475 PolarHBondContact O-N 3.28Å; H472-E476 WeakPolarHBondContact O-CB 3.23Å; H472-E476 PolarHBondContact O-N 3.41Å
473A86Confident77.2Confident6 Ų660 Ų605%0.0537%0.371CS..Hα-helixtrans-63.7-43.2175.300000111L469 T470 A475 E476 L477 F519L469-A473 HydrophobicContact CD2-CB 3.9Å; T470-A473 WeakPolarHBondContact O-CB 3.38Å; T470-A473 PolarHBondContact O-N 3.12Å; T470-A473 PolarHBondContact OG1-N 2.8Å; A473-A475 VanDerWaalsContact C-N 3.35Å; A473-A475 PolarHBondContact O-N 3.47Å; A473-E476 PolarHBondContact O-N 3.5Å; A473-L477 WeakPolarHBondContact O-CG 3.45Å; A473-L477 PolarHBondContact O-N 3.4Å; A473-F519 HydrophobicContact CB-CE2 3.76Å; A473-F519 HydrophobicContact CB-CZ 3.97Å; A473-F519 WeakPolarHBondContact O-CE2 3.3Å
474L86.3Confident80.4Confident5 Ų559.1 Ų59.13%0.02635%0.347CS..Hα-helixtrans-62.4-40.4175-67.9171.7000112.4T56 L469 T470 V471 L477 K478 R571 Y574T56-L474 HydrophobicContact CG2-CD1 3.84Å; L469-L474 HydrophobicContact CB-CD2 3.98Å; L469-L474 HydrophobicContact CB-CG 4.14Å; L469-L474 HydrophobicContact CD1-CD2 4.12Å; T470-L474 PolarHBondContact O-N 3.06Å; V471-L474 PolarHBondContact O-N 3.37Å; L474-L477 PolarHBondContact O-N 3.21Å; L474-K478 WeakPolarHBondContact O-CG 3.41Å; L474-K478 PolarHBondContact O-N 2.97Å; L474-K478 VanDerWaalsContact O-N 3.11Å; L474-R571 HydrophobicContact CD1-CB 4.44Å; L474-R571 HydrophobicContact CD2-CB 4.09Å; L474-R571 WeakPolarHBondContact CD2-O 3.47Å; L474-Y574 HydrophobicContact CD2-CD2 3.72Å; L474-Y574 HydrophobicContact CD2-CE2 4.17Å
475A84.5Confident83.7Confident32 Ų3256.6 Ų56.626%0.26432%0.319SS..Hα-helixtrans-65.4-39.1175.500000112.1P234 V471 H472 A473 K478 S479P234-A475 HydrophobicContact CG-CB 4.25Å; V471-A475 WeakPolarHBondContact O-CB 3.34Å; V471-A475 PolarHBondContact O-N 2.69Å; H472-A475 PolarHBondContact O-N 3.28Å; A473-A475 VanDerWaalsContact C-N 3.35Å; A473-A475 PolarHBondContact O-N 3.47Å; A475-K478 PolarHBondContact O-N 3.42Å; A475-S479 WeakPolarHBondContact O-CB 3.26Å; A475-S479 PolarHBondContact O-N 2.82Å; A475-S479 PolarHBondContact O-OG 3.41Å
476E89.9Confident86.2Confident75 Ų7555.3 Ų55.335%0.3530%0.304SS..Hα-helixtrans-66-40.3175.7-168.5-177148.500112.3H472 A473 S479 K480 F519H472-E476 WeakPolarHBondContact O-CB 3.23Å; H472-E476 PolarHBondContact O-N 3.41Å; A473-E476 PolarHBondContact O-N 3.5Å; E476-S479 WeakPolarHBondContact CA-OG 3.31Å; E476-S479 PolarHBondContact O-N 3.18Å; E476-S479 PolarHBondContact O-OG 3.01Å; E476-K480 HydrophobicContact CG-CD 4.2Å; E476-K480 WeakPolarHBondContact O-CB 2.84Å; E476-K480 WeakPolarHBondContact O-CG 3.3Å; E476-K480 PolarHBondContact O-N 3.5Å; E476-K480 WeakPolarHBondContact OE1-CE 3.47Å; E476-K480 IonicContact OE1-NZ 2.64Å; E476-K480 PolarHBondContact OE1-NZ 2.9Å; E476-F519 HydrophobicContact CB-CD2 4.34Å; E476-F519 HydrophobicContact CB-CE2 4.24Å; E476-F519 HydrophobicContact CG-CD2 4.22Å
477L90.8Very high87.6Confident0 Ų050.9 Ų50.90%028%0.282CS..Hα-helixtrans-60.5-46.2173.8-68.5172.6000111.5L469 A473 L474 K480 N481 I482 A512 F519 I533 Y574L469-L477 HydrophobicContact CD1-CD1 4.25Å; L469-L477 HydrophobicContact CD2-CD1 3.99Å; A473-L477 WeakPolarHBondContact O-CG 3.45Å; A473-L477 PolarHBondContact O-N 3.4Å; L474-L477 PolarHBondContact O-N 3.21Å; L477-K480 PolarHBondContact O-N 3.4Å; L477-N481 PolarHBondContact O-N 3.28Å; L477-I482 HydrophobicContact CD2-CB 4.38Å; L477-I482 HydrophobicContact CD2-CD1 3.59Å; L477-I482 HydrophobicContact CD2-CG2 4.39Å; L477-I482 PolarHBondContact O-N 3.31Å; L477-A512 HydrophobicContact CD2-CB 3.89Å; L477-F519 HydrophobicContact CD1-CE1 4.49Å; L477-F519 HydrophobicContact CD1-CZ 3.83Å; L477-F519 HydrophobicContact CD2-CD1 4.36Å; L477-F519 HydrophobicContact CD2-CE1 3.66Å; L477-F519 HydrophobicContact CD2-CE2 3.99Å; L477-F519 HydrophobicContact CD2-CZ 3.44Å; L477-F519 VanDerWaalsContact CD2-CZ 3.44Å; L477-F519 HydrophobicContact CG-CE1 4.2Å; L477-F519 HydrophobicContact CG-CE2 3.9Å; L477-F519 HydrophobicContact CG-CZ 3.47Å; L477-F519 VanDerWaalsContact CG-CZ 3.47Å; L477-I533 HydrophobicContact CD1-CD1 3.4Å; L477-I533 VanDerWaalsContact CD1-CD1 3.4Å; L477-I533 HydrophobicContact CD2-CD1 3.88Å; L477-I533 HydrophobicContact CG-CD1 4.29Å; L477-Y574 HydrophobicContact CB-CE1 4.19Å; L477-Y574 HydrophobicContact CB-CE2 4.12Å; L477-Y574 HydrophobicContact CD1-CD1 4.04Å; L477-Y574 HydrophobicContact CD1-CD2 3.87Å; L477-Y574 HydrophobicContact CD1-CE1 4.11Å; L477-Y574 HydrophobicContact CD1-CE2 3.95Å; L477-Y574 HydrophobicContact CD1-CG 3.91Å
478K86.6Confident88.3Confident91 Ų9152.8 Ų52.840%0.39630%0.297SS..Hα-helixtrans-62.3-43.5176.8-73.4175.8179.4175.10111.5G55 L474 A475 K480 N481G55-K478 PolarHBondContact O-NZ 3.27Å; L474-K478 WeakPolarHBondContact O-CG 3.41Å; L474-K478 PolarHBondContact O-N 2.97Å; L474-K478 VanDerWaalsContact O-N 3.11Å; A475-K478 PolarHBondContact O-N 3.42Å; K478-K480 VanDerWaalsContact C-N 3.31Å; K478-K480 PolarHBondContact O-N 3.36Å; K478-N481 PolarHBondContact O-N 3.32Å
479S87.5Confident88.9Confident89 Ų8953.3 Ų53.362%0.62230%0.298SS*.Hα-helixtrans-68.3-29.8179.573.30000113A475 E476 N481A475-S479 WeakPolarHBondContact O-CB 3.26Å; A475-S479 PolarHBondContact O-N 2.82Å; A475-S479 PolarHBondContact O-OG 3.41Å; E476-S479 WeakPolarHBondContact CA-OG 3.31Å; E476-S479 PolarHBondContact O-N 3.18Å; E476-S479 PolarHBondContact O-OG 3.01Å; S479-N481 PolarHBondContact O-N 3.26Å
480K89.5Confident89.4Confident100 Ų10053.9 Ų53.944%0.43530%0.3SS..THydrogen-bonded Turntrans-78.22.8170.9-72.2176.7170.2173.90113.9E476 L477 K478 I482E476-K480 HydrophobicContact CG-CD 4.2Å; E476-K480 WeakPolarHBondContact O-CB 2.84Å; E476-K480 WeakPolarHBondContact O-CG 3.3Å; E476-K480 PolarHBondContact O-N 3.5Å; E476-K480 WeakPolarHBondContact OE1-CE 3.47Å; E476-K480 IonicContact OE1-NZ 2.64Å; E476-K480 PolarHBondContact OE1-NZ 2.9Å; L477-K480 PolarHBondContact O-N 3.4Å; K478-K480 VanDerWaalsContact C-N 3.31Å; K478-K480 PolarHBondContact O-N 3.36Å; K480-I482 HydrophobicContact CB-CD1 4.05Å; K480-I482 HydrophobicContact CB-CG1 4.01Å; K480-I482 HydrophobicContact CD-CD1 4.43Å; K480-I482 PolarHBondContact O-N 3.39Å
481N90Very high90.1Very high150 Ų15053.6 Ų53.680%0.80229%0.294SS*.THydrogen-bonded Turntrans54.234-175.7-65.4-53.9000113.8L477 K478 S479 S483L477-N481 PolarHBondContact O-N 3.28Å; K478-N481 PolarHBondContact O-N 3.32Å; S479-N481 PolarHBondContact O-N 3.26Å; N481-S483 PolarHBondContact O-N 2.91Å
482I91.8Very high91Very high32 Ų3257 Ų5716%0.16431%0.314CS..PPolyproline II helixtrans-75.6125.9174.2-63.5175.2000108L477 K480 L511 A512 Y574L477-I482 HydrophobicContact CD2-CB 4.38Å; L477-I482 HydrophobicContact CD2-CD1 3.59Å; L477-I482 HydrophobicContact CD2-CG2 4.39Å; L477-I482 PolarHBondContact O-N 3.31Å; K480-I482 HydrophobicContact CB-CD1 4.05Å; K480-I482 HydrophobicContact CB-CG1 4.01Å; K480-I482 HydrophobicContact CD-CD1 4.43Å; K480-I482 PolarHBondContact O-N 3.39Å; I482-L511 HydrophobicContact CG2-CB 3.89Å; I482-L511 HydrophobicContact CG2-CD1 3.99Å; I482-A512 HydrophobicContact CD1-CB 4.14Å; I482-Y574 HydrophobicContact CG2-CE1 4.06Å; I482-Y574 PolarHBondContact O-OH 3.02Å
483S92.4Very high91.7Very high71 Ų7155.3 Ų55.350%0.49731%0.306SS..PPolyproline II helixtrans-70.8147.9177.956.50000111.5N481 Y574N481-S483 PolarHBondContact O-N 2.91Å; S483-Y574 WeakPolarHBondContact O-CE1 3.29Å
484V93.3Very high92.2Very high71 Ų7159.3 Ų59.343%0.4333%0.33SS..PPolyproline II helixtrans-58.3152.6168.1-65.80000111G573 Y574V484-G573 WeakPolarHBondContact CB-O 3.44Å; V484-Y574 HydrophobicContact CG1-CE1 4.3Å; V484-Y574 HydrophobicContact CG1-CE2 4.27Å
485T95.8Very high92.7Very high11 Ų1160.8 Ų60.87%0.06734%0.34CS..PPolyproline II helixtrans-77.2130.8-176.1-550000110.7D487 L534 T537 G573 I575T485-D487 PolarHBondContact O-N 3.39Å; T485-L534 WeakPolarHBondContact CB-O 3.39Å; T485-L534 VanDerWaalsContact CG2-O 3.3Å; T485-L534 WeakPolarHBondContact CG2-O 3.4Å; T485-L534 PolarHBondContact OG1-O 3.26Å; T485-T537 HydrophobicContact CG2-CG2 3.8Å; T485-G573 PolarHBondContact N-O 3.29Å; T485-I575 HydrophobicContact CG2-CB 3.93Å; T485-I575 HydrophobicContact CG2-CG1 3.94Å; T485-I575 PolarHBondContact OG1-N 2.86Å
486D96.2Very high93.1Very high79 Ų7962.4 Ų62.442%0.42234%0.344SS..BIsolated β-bridgetrans-79.5108168.9177.95.6000110.5S488 N535 K536 T537D486-S488 WeakPolarHBondContact OD1-CB 3.42Å; D486-S488 PolarHBondContact OD1-N 2.8Å; D486-S488 PolarHBondContact OD1-OG 2.64Å; D486-N535 PolarHBondContact N-O 2.87Å; D486-K536 HydrophobicContact CB-CB 3.98Å; D486-K536 CarbonylContact O-C 3.39Å; D486-K536 WeakPolarHBondContact O-CA 3.5Å; D486-K536 VanDerWaalsContact O-CB 3.23Å; D486-K536 WeakPolarHBondContact O-CB 3.04Å; D486-T537 PolarHBondContact O-N 3.5Å
487D94.7Very high93.1Very high42 Ų4266 Ų6623%0.22537%0.365CS..  trans-104.315.7-179.475.34.4000113.5T485 E489 K490 T537 I575T485-D487 PolarHBondContact O-N 3.39Å; D487-E489 VanDerWaalsContact C-N 3.26Å; D487-E489 PolarHBondContact O-N 3.15Å; D487-K490 HydrophobicContact CB-CD 4.23Å; D487-K490 WeakPolarHBondContact O-CB 3.21Å; D487-K490 WeakPolarHBondContact O-CD 3.39Å; D487-K490 WeakPolarHBondContact O-CG 3.35Å; D487-K490 PolarHBondContact O-N 2.62Å; D487-K490 IonicContact OD1-NZ 3.57Å; D487-K490 PolarHBondContact OD1-NZ 3.06Å; D487-K490 IonicContact OD2-NZ 3.72Å; D487-K490 PolarHBondContact OD2-NZ 3.42Å; D487-T537 HydrophobicContact CB-CG2 3.84Å; D487-I575 HydrophobicContact CB-CG1 4.06Å
488S93.3Very high92.8Very high62 Ų6271.8 Ų71.843%0.43440%0.396SS..G310 helixtrans-63.6-29-176.461.90000113.7D486 K490 F491D486-S488 WeakPolarHBondContact OD1-CB 3.42Å; D486-S488 PolarHBondContact OD1-N 2.8Å; D486-S488 PolarHBondContact OD1-OG 2.64Å; S488-K490 PolarHBondContact O-N 3.41Å; S488-F491 PolarHBondContact O-N 3.18Å
489E94.9Very high92.8Very high53 Ų5367.6 Ų67.625%0.24838%0.379CS..G310 helixtrans-67.3-15.9-179.6-66.8-175.9169.900113.3D487 F491 V492 S506 K536 I538D487-E489 VanDerWaalsContact C-N 3.26Å; D487-E489 PolarHBondContact O-N 3.15Å; E489-F491 PolarHBondContact O-N 3.16Å; E489-V492 PolarHBondContact O-N 3Å; E489-S506 WeakPolarHBondContact OE2-CB 3.47Å; E489-S506 PolarHBondContact OE2-OG 2.99Å; E489-K536 IonicContact OE1-NZ 2.7Å; E489-K536 PolarHBondContact OE1-NZ 2.88Å; E489-K536 IonicContact OE2-NZ 3.19Å; E489-I538 HydrophobicContact CB-CG2 3.83Å
490K95.2Very high92.9Very high20 Ų2068 Ų689%0.08737%0.374CS..G310 helixtrans-59.9-18.9174.279.9-162177.5-145.30113.5D487 S488 Y493 I538 Y540D487-K490 HydrophobicContact CB-CD 4.23Å; D487-K490 WeakPolarHBondContact O-CB 3.21Å; D487-K490 WeakPolarHBondContact O-CD 3.39Å; D487-K490 WeakPolarHBondContact O-CG 3.35Å; D487-K490 PolarHBondContact O-N 2.62Å; D487-K490 IonicContact OD1-NZ 3.57Å; D487-K490 PolarHBondContact OD1-NZ 3.06Å; D487-K490 IonicContact OD2-NZ 3.72Å; D487-K490 PolarHBondContact OD2-NZ 3.42Å; S488-K490 PolarHBondContact O-N 3.41Å; K490-Y493 WeakPolarHBondContact O-CE1 3.47Å; K490-I538 WeakPolarHBondContact CA-O 3.14Å; K490-I538 WeakPolarHBondContact CB-O 3.19Å; K490-Y540 HydrophobicContact CD-CD2 3.98Å
491F95.8Very high93.2Very high59 Ų5964.3 Ų64.326%0.25936%0.357SS..G310 helixtrans-94.9-0.3176.8-57-56.1000114.4S488 E489 Y493 G726 G727S488-F491 PolarHBondContact O-N 3.18Å; E489-F491 PolarHBondContact O-N 3.16Å; F491-Y493 PolarHBondContact O-N 2.91Å; F491-G726 VanDerWaalsContact CE1-O 3.24Å; F491-G726 WeakPolarHBondContact CE1-O 3.47Å; F491-G726 WeakPolarHBondContact CZ-O 3.5Å; F491-G727 WeakPolarHBondContact CE1-O 3.42Å
492V95.3Very high93.4Very high90 Ų9061.5 Ų61.555%0.54535%0.345SS..  trans-9498.6-177.9-177.50000109.5E489 P504E489-V492 PolarHBondContact O-N 3Å; V492-P504 WeakPolarHBondContact O-CD 3.31Å
493Y96.2Very high93.5Very high24 Ų2461 Ų619%0.09434%0.342CS..  trans-155.2159.1174.545.6-97.5000111.3K490 F491 Y501 V502 F503 M604 T728 H729 L731K490-Y493 WeakPolarHBondContact O-CE1 3.47Å; F491-Y493 PolarHBondContact O-N 2.91Å; Y493-Y501 AromaticContact CD2-CD1 3.88Å; Y493-Y501 HydrophobicContact CD2-CD1 3.88Å; Y493-Y501 HydrophobicContact CD2-CE1 4.05Å; Y493-Y501 HydrophobicContact CE2-CD1 4.49Å; Y493-Y501 HydrophobicContact CE2-CE1 4.28Å; Y493-V502 WeakPolarHBondContact CA-O 3.22Å; Y493-V502 WeakPolarHBondContact CB-O 3.45Å; Y493-F503 AromaticContact CD1-CD1 3.89Å; Y493-F503 HydrophobicContact CD1-CD1 3.89Å; Y493-F503 AromaticContact CD1-CE1 3.73Å; Y493-F503 HydrophobicContact CD1-CE1 3.73Å; Y493-F503 HydrophobicContact CD2-CE1 4.34Å; Y493-F503 HydrophobicContact CE1-CE1 4.45Å; Y493-F503 AromaticContact CG-CD1 3.9Å; Y493-F503 HydrophobicContact CG-CD1 3.9Å; Y493-F503 AromaticContact CG-CE1 3.66Å; Y493-F503 HydrophobicContact CG-CE1 3.66Å; Y493-M604 HydrophobicContact CD2-CE 3.76Å; Y493-M604 HydrophobicContact CE1-CE 4.27Å; Y493-M604 HydrophobicContact CE2-CE 3.26Å; Y493-M604 HydrophobicContact CG-CE 4.44Å; Y493-T728 HydrophobicContact CE1-CG2 4.45Å; Y493-H729 WeakPolarHBondContact CE2-O 3.34Å; Y493-H729 PolarHBondContact OH-N 2.78Å; Y493-H729 VanDerWaalsContact OH-N 3.14Å; Y493-H729 PolarHBondContact OH-O 2.69Å; Y493-L731 HydrophobicContact CD2-CD1 4.39Å; Y493-L731 HydrophobicContact CD2-CD2 4.41Å; Y493-L731 HydrophobicContact CD2-CG 4.34Å; Y493-L731 HydrophobicContact CE2-CD2 3.98Å; Y493-L731 HydrophobicContact CE2-CG 4.16Å
494T96.5Very high93.5Very high90 Ų9060.9 Ų60.955%0.55234%0.34SS*.EExtended strand (participates in β ladder)trans-125.5163.6176.461.30000110.1Y501 V502T494-Y501 CarbonylContact O-C 3.35Å; T494-Y501 VanDerWaalsContact O-CA 3.29Å; T494-Y501 WeakPolarHBondContact O-CA 3.48Å; T494-V502 PolarHBondContact N-O 2.91Å; T494-V502 VanDerWaalsContact N-O 3.15Å; T494-V502 PolarHBondContact O-N 3.22Å
495S95.7Very high93.3Very high35 Ų3561.9 Ų61.925%0.24534%0.343CS..EExtended strand (participates in β ladder)trans-137.7146.4172.467.70000111.1N500 H735S495-N500 VanDerWaalsContact CA-O 3.31Å; S495-N500 WeakPolarHBondContact CA-O 3.38Å; S495-H735 PolarHBondContact OG-CE1 3.49Å
496D92.9Very high93.2Very high67 Ų6761.7 Ų61.736%0.35834%0.342SS..  trans-73.8-180164.374.56.6000111.8N498 G499 N500 H735D496-N498 PolarHBondContact O-N 2.79Å; D496-N498 VanDerWaalsContact OD1-CA 3.31Å; D496-N498 WeakPolarHBondContact OD1-CA 3.18Å; D496-N498 WeakPolarHBondContact OD1-CB 3.46Å; D496-N498 PolarHBondContact OD1-N 2.84Å; D496-G499 PolarHBondContact O-N 2.86Å; D496-G499 PolarHBondContact OD1-N 2.97Å; D496-N500 PolarHBondContact N-O 3.15Å; D496-N500 VanDerWaalsContact N-O 3.13Å; D496-N500 PolarHBondContact OD1-N 3.4Å; D496-N500 PolarHBondContact OD2-ND2 3.07Å; D496-H735 PolarHBondContact O-CE1 2.95Å
497L89.8Confident93.2Very high150 Ų15062.2 Ų62.279%0.78534%0.342SS*.THydrogen-bonded Turntrans-67.4-13.1178.3-66173.9000114.2K734L497-K734 PolarHBondContact O-NZ 3.26Å
498N86.3Confident93.3Very high121 Ų12160.4 Ų60.465%0.64733%0.332SS*.THydrogen-bonded Turntrans-97.2-3.6-180-62.6-40.1000112.1D496D496-N498 PolarHBondContact O-N 2.79Å; D496-N498 VanDerWaalsContact OD1-CA 3.31Å; D496-N498 WeakPolarHBondContact OD1-CA 3.18Å; D496-N498 WeakPolarHBondContact OD1-CB 3.46Å; D496-N498 PolarHBondContact OD1-N 2.84Å
499G86.1Confident93.5Very high3 Ų359.4 Ų59.43%0.03132%0.324CS..  trans78.625-177.600000113.4D496 Y501 H735D496-G499 PolarHBondContact O-N 2.86Å; D496-G499 PolarHBondContact OD1-N 2.97Å; G499-Y501 WeakPolarHBondContact O-CD2 3.25Å; G499-Y501 WeakPolarHBondContact O-CE2 3.32Å; G499-Y501 PolarHBondContact O-N 3.43Å; G499-H735 PolarHBondContact N-NE2 3.01Å
500N89.8Confident93.6Very high98 Ų9857 Ų5752%0.52431%0.312SS..  trans-80.6112.3166.1-59.1-51.1000108.2S495 D496S495-N500 VanDerWaalsContact CA-O 3.31Å; S495-N500 WeakPolarHBondContact CA-O 3.38Å; D496-N500 PolarHBondContact N-O 3.15Å; D496-N500 VanDerWaalsContact N-O 3.13Å; D496-N500 PolarHBondContact OD1-N 3.4Å; D496-N500 PolarHBondContact OD2-ND2 3.07Å
501Y94.6Very high93.7Very high22 Ų2258 Ų589%0.08632%0.319CS..EExtended strand (participates in β ladder)trans-89138.7-178-75.1-98.1000111.4Y493 T494 G499 F503 T601 M604 V730 L731 H735Y493-Y501 AromaticContact CD2-CD1 3.88Å; Y493-Y501 HydrophobicContact CD2-CD1 3.88Å; Y493-Y501 HydrophobicContact CD2-CE1 4.05Å; Y493-Y501 HydrophobicContact CE2-CD1 4.49Å; Y493-Y501 HydrophobicContact CE2-CE1 4.28Å; T494-Y501 CarbonylContact O-C 3.35Å; T494-Y501 VanDerWaalsContact O-CA 3.29Å; T494-Y501 WeakPolarHBondContact O-CA 3.48Å; G499-Y501 WeakPolarHBondContact O-CD2 3.25Å; G499-Y501 WeakPolarHBondContact O-CE2 3.32Å; G499-Y501 PolarHBondContact O-N 3.43Å; Y501-F503 VanDerWaalsContact CB-CE2 3.43Å; Y501-F503 HydrophobicContact CD1-CZ 4.24Å; Y501-F503 HydrophobicContact CG-CE2 4.4Å; Y501-F503 HydrophobicContact CG-CZ 4.06Å; Y501-T601 HydrophobicContact CD2-CG2 3.84Å; Y501-T601 HydrophobicContact CE2-CG2 4.26Å; Y501-M604 HydrophobicContact CD1-CE 3.66Å; Y501-M604 HydrophobicContact CE1-CE 3.44Å; Y501-M604 VanDerWaalsContact CE1-CE 3.44Å; Y501-M604 HydrophobicContact CG-CE 4.39Å; Y501-V730 HydrophobicContact CE2-CG1 4.25Å; Y501-V730 WeakPolarHBondContact OH-CA 3.34Å; Y501-V730 WeakPolarHBondContact OH-CB 3.4Å; Y501-V730 WeakPolarHBondContact OH-CG1 3.46Å; Y501-L731 HydrophobicContact CE1-CB 4.5Å; Y501-L731 HydrophobicContact CE1-CD1 4.22Å; Y501-L731 HydrophobicContact CE1-CG 4Å; Y501-L731 PolarHBondContact OH-N 3.04Å; Y501-H735 HydrophobicContact CE2-CB 4.37Å; Y501-H735 AromaticContact CE2-ND1 3.99Å; Y501-H735 AromaticContact CZ-ND1 3.78Å; Y501-H735 PolarHBondContact OH-ND1 3.02Å
502V94.7Very high93.7Very high91 Ų9155.4 Ų55.455%0.55231%0.308SS*.EExtended strand (participates in β ladder)trans-111115.6169.9-178.30000107.6Y493 T494Y493-V502 WeakPolarHBondContact CA-O 3.22Å; Y493-V502 WeakPolarHBondContact CB-O 3.45Å; T494-V502 PolarHBondContact N-O 2.91Å; T494-V502 VanDerWaalsContact N-O 3.15Å; T494-V502 PolarHBondContact O-N 3.22Å
503F94Very high93.7Very high22 Ų2251.1 Ų51.110%0.09628%0.282CS..  trans-102.8110171.5-54.4-84.4000106.7Y493 Y501 L595 T597 R600 M604Y493-F503 AromaticContact CD1-CD1 3.89Å; Y493-F503 HydrophobicContact CD1-CD1 3.89Å; Y493-F503 AromaticContact CD1-CE1 3.73Å; Y493-F503 HydrophobicContact CD1-CE1 3.73Å; Y493-F503 HydrophobicContact CD2-CE1 4.34Å; Y493-F503 HydrophobicContact CE1-CE1 4.45Å; Y493-F503 AromaticContact CG-CD1 3.9Å; Y493-F503 HydrophobicContact CG-CD1 3.9Å; Y493-F503 AromaticContact CG-CE1 3.66Å; Y493-F503 HydrophobicContact CG-CE1 3.66Å; Y501-F503 VanDerWaalsContact CB-CE2 3.43Å; Y501-F503 HydrophobicContact CD1-CZ 4.24Å; Y501-F503 HydrophobicContact CG-CE2 4.4Å; Y501-F503 HydrophobicContact CG-CZ 4.06Å; F503-L595 HydrophobicContact CB-CD1 4.12Å; F503-L595 HydrophobicContact CD1-CD1 4.38Å; F503-L595 HydrophobicContact CG-CD1 4.29Å; F503-T597 HydrophobicContact CD2-CG2 3.75Å; F503-T597 HydrophobicContact CE2-CG2 4.4Å; F503-R600 HydrophobicContact CD1-CG 4.2Å; F503-R600 HydrophobicContact CE1-CG 3.52Å; F503-R600 HydrophobicContact CE2-CB 4.47Å; F503-R600 HydrophobicContact CE2-CG 4.02Å; F503-R600 HydrophobicContact CZ-CB 4.29Å; F503-R600 HydrophobicContact CZ-CG 3.41Å; F503-R600 VanDerWaalsContact CZ-CG 3.41Å; F503-M604 HydrophobicContact CE1-CE 4.28Å; F503-M604 HydrophobicContact CE1-SD 3.69Å; F503-M604 HydrophobicContact CZ-CE 4.28Å; F503-M604 HydrophobicContact CZ-SD 3.55Å; F503-M604 VanDerWaalsContact CZ-SD 3.55Å
504P92.9Very high93.5Very high68 Ų6850.1 Ų50.144%0.44228%0.278SS..  trans-60.5138176.9-20.332.7000110.5V492V492-P504 WeakPolarHBondContact O-CD 3.31Å
505D89.5Confident93.2Very high93 Ų9347.5 Ų47.550%0.49726%0.259SS..  trans-61.9151.5166.9-63.9-38.8000109.5L592 L593 S594D505-L592 HydrophobicContact CB-CD1 3.71Å; D505-L592 HydrophobicContact CB-CD2 4.35Å; D505-L592 HydrophobicContact CB-CG 4.03Å; D505-L593 WeakPolarHBondContact CA-O 3.49Å; D505-S594 WeakPolarHBondContact OD1-CB 3.23Å; D505-S594 PolarHBondContact OD1-OG 3.1Å
506S92.8Very high92.6Very high7 Ų752.2 Ų52.25%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-127.2140177.3-179.40000111.4E489 K536 I538 L593E489-S506 WeakPolarHBondContact OE2-CB 3.47Å; E489-S506 PolarHBondContact OE2-OG 2.99Å; S506-K536 WeakPolarHBondContact OG-CE 3.42Å; S506-I538 VanDerWaalsContact CB-CG2 3.48Å; S506-L593 PolarHBondContact N-O 3.47Å; S506-L593 WeakPolarHBondContact O-CB 3.3Å; S506-L593 WeakPolarHBondContact O-CG 3.48Å; S506-L593 PolarHBondContact O-N 3.3Å
507E96.1Very high91.9Very high90 Ų9052.6 Ų52.642%0.42128%0.279SS..EExtended strand (participates in β ladder)trans-91.1128.9172.5-62.7-176.9-165.200110.9K536 L556 R590 V591 L592E507-K536 WeakPolarHBondContact O-CE 3.06Å; E507-L556 HydrophobicContact CB-CD1 4.26Å; E507-L556 HydrophobicContact CG-CD1 3.84Å; E507-R590 IonicContact OE2-CZ 3.61Å; E507-R590 IonicContact OE2-NH2 3.63Å; E507-R590 PolarHBondContact OE2-NH2 3.15Å; E507-V591 CarbonylContact C-O 3.58Å; E507-V591 VanDerWaalsContact CA-O 3.29Å; E507-V591 WeakPolarHBondContact CA-O 3.48Å; E507-L592 HydrophobicContact CG-CD1 4Å
508A97.1Very high91.9Very high3 Ų352.7 Ų52.73%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-130.7173.3177.800000111.7L534 N535 K536 R590 V591 L593A508-L534 HydrophobicContact CB-CB 4.26Å; A508-L534 HydrophobicContact CB-CD1 4.07Å; A508-N535 WeakPolarHBondContact CA-OD1 3.2Å; A508-N535 WeakPolarHBondContact CB-OD1 3.16Å; A508-K536 HydrophobicContact CB-CG 4.18Å; A508-K536 VanDerWaalsContact CB-O 3.3Å; A508-K536 WeakPolarHBondContact CB-O 3.37Å; A508-R590 CarbonylContact O-C 3.17Å; A508-R590 WeakPolarHBondContact O-CA 3.44Å; A508-V591 HydrophobicContact CB-CG2 4.16Å; A508-V591 PolarHBondContact N-O 3.13Å; A508-V591 WeakPolarHBondContact O-CG2 3.47Å; A508-V591 PolarHBondContact O-N 2.84Å; A508-L593 HydrophobicContact CB-CD1 3.86Å; A508-L593 HydrophobicContact CB-CD2 4.37Å; A508-L593 HydrophobicContact CB-CG 4.17Å
509T97.6Very high92.2Very high42 Ų4248.3 Ų48.326%0.25825%0.248SC..EExtended strand (participates in β ladder)trans-121.1134175.9-57.90000109.5L511 L534 N535 N589T509-L511 PolarHBondContact O-N 2.95Å; T509-L534 WeakPolarHBondContact O-CA 3.23Å; T509-N535 PolarHBondContact N-OD1 2.92Å; T509-N535 PolarHBondContact O-N 2.88Å; T509-N535 VanDerWaalsContact O-N 3.08Å; T509-N535 PolarHBondContact O-OD1 2.81Å; T509-N589 WeakPolarHBondContact CA-O 3.34Å
510V96.9Very high92.5Very high1 Ų150.2 Ų50.21%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-69.4118.5174.4-179.20000109.9I513 I532 L534 L585 G588 N589 V591V510-I513 HydrophobicContact CG1-CD1 4.21Å; V510-I513 HydrophobicContact CG1-CG1 3.76Å; V510-I532 HydrophobicContact CG1-CG2 4.12Å; V510-I532 HydrophobicContact CG2-CG2 4.36Å; V510-L534 HydrophobicContact CB-CD2 4.43Å; V510-L534 HydrophobicContact CG2-CD2 3.94Å; V510-L585 HydrophobicContact CG1-CD2 4.34Å; V510-L585 HydrophobicContact CG2-CD1 4.1Å; V510-L585 HydrophobicContact CG2-CD2 3.83Å; V510-L585 HydrophobicContact CG2-CG 4.04Å; V510-G588 PolarHBondContact O-N 3.06Å; V510-N589 HydrophobicContact CG2-CB 4.42Å; V510-N589 PolarHBondContact N-O 3.31Å; V510-V591 HydrophobicContact CG2-CG1 3.98Å; V510-V591 HydrophobicContact CG2-CG2 4.46Å
511L97Very high92.6Very high42 Ų4252 Ų5222%0.2226%0.264CS..EExtended strand (participates in β ladder)trans-97.7-33.3179.6-64.3-172.8000113.2I482 T509 I533 N535 V587I482-L511 HydrophobicContact CG2-CB 3.89Å; I482-L511 HydrophobicContact CG2-CD1 3.99Å; T509-L511 PolarHBondContact O-N 2.95Å; L511-I533 HydrophobicContact CB-CG2 4.47Å; L511-I533 PolarHBondContact N-O 2.8Å; L511-N535 HydrophobicContact CD1-CB 3.83Å; L511-N535 HydrophobicContact CD2-CB 4.17Å; L511-N535 HydrophobicContact CG-CB 4.03Å; L511-V587 WeakPolarHBondContact O-CG1 3.37Å
512A96.6Very high92.4Very high5 Ų553.5 Ų53.54%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-154150.7175.700000111.2L477 I482 F519 I533L477-A512 HydrophobicContact CD2-CB 3.89Å; I482-A512 HydrophobicContact CD1-CB 4.14Å; A512-F519 HydrophobicContact CB-CD1 3.89Å; A512-F519 HydrophobicContact CB-CE1 3.98Å; A512-I533 HydrophobicContact CB-CB 4.2Å; A512-I533 HydrophobicContact CB-CD1 4.28Å; A512-I533 PolarHBondContact N-O 3.26Å; A512-I533 PolarHBondContact O-N 2.77Å
513I94.7Very high92Very high0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-122123.5174-56.9171.2000107.6V510 F519 V520 V523 G531 L585 V587V510-I513 HydrophobicContact CG1-CD1 4.21Å; V510-I513 HydrophobicContact CG1-CG1 3.76Å; I513-F519 CarbonylContact O-C 3.51Å; I513-F519 VanDerWaalsContact O-CA 3.28Å; I513-F519 WeakPolarHBondContact O-CA 3.02Å; I513-V520 HydrophobicContact CB-CG2 4.06Å; I513-V520 HydrophobicContact CG2-CG2 3.81Å; I513-V520 PolarHBondContact O-N 2.81Å; I513-V523 HydrophobicContact CG2-CB 4.29Å; I513-V523 HydrophobicContact CG2-CG1 4.13Å; I513-G531 CarbonylContact C-O 3.56Å; I513-G531 WeakPolarHBondContact CA-O 3.49Å; I513-L585 HydrophobicContact CD1-CB 4.29Å; I513-L585 HydrophobicContact CD1-CD2 4.38Å; I513-L585 HydrophobicContact CD1-CG 4.34Å; I513-L585 WeakPolarHBondContact CD1-O 3.49Å; I513-V587 HydrophobicContact CD1-CG2 4.23Å; I513-V587 HydrophobicContact CG1-CG2 4.1Å
514L93Very high91.4Very high2 Ų253 Ų531%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-103.5113.7176.8-17371.8000108.9I467 L469 F519 C530 G531 L576I467-L514 HydrophobicContact CG2-CD2 3.87Å; L469-L514 HydrophobicContact CD2-CD2 4.15Å; L514-F519 HydrophobicContact CB-CD1 4.29Å; L514-F519 HydrophobicContact CB-CE1 4.14Å; L514-F519 HydrophobicContact CD1-CD1 4.02Å; L514-F519 HydrophobicContact CD1-CE1 3.88Å; L514-F519 HydrophobicContact CD1-CE2 4.47Å; L514-F519 HydrophobicContact CD1-CG 4.37Å; L514-F519 HydrophobicContact CD1-CZ 4.13Å; L514-C530 CarbonylContact O-C 3.57Å; L514-C530 WeakPolarHBondContact O-CA 3.33Å; L514-C530 WeakPolarHBondContact O-CB 3.37Å; L514-G531 PolarHBondContact N-O 3.39Å; L514-G531 PolarHBondContact O-N 3.5Å; L514-L576 HydrophobicContact CD2-CD1 4.38Å
515Y89.4Confident90.1Very high36 Ų3653.4 Ų53.414%0.14127%0.272CS..EExtended strand (participates in β ladder)trans-130.8132.1177.2176.8-102.3000109.1N517 K518 V523 L525 Q528 C530Y515-N517 PolarHBondContact O-N 2.82Å; Y515-K518 PolarHBondContact N-O 3.34Å; Y515-K518 PolarHBondContact O-N 3.5Å; Y515-V523 HydrophobicContact CD2-CG2 4.16Å; Y515-V523 HydrophobicContact CG-CG2 4.19Å; Y515-L525 HydrophobicContact CE1-CD1 4.31Å; Y515-Q528 HydrophobicContact CE2-CB 4.15Å; Y515-Q528 PolarHBondContact OH-NE2 3.08Å; Y515-Q528 PolarHBondContact OH-OE1 2.81Å; Y515-C530 HydrophobicContact CD2-CB 4.16Å
516E82.9Confident88.9Confident134 Ų13452.7 Ų52.763%0.62627%0.274SS*.THydrogen-bonded Turntrans48.842.7-173.4-67.8177-173.100113.2K518E516-K518 PolarHBondContact O-N 2.62Å
517N78.6Confident87.2Confident74 Ų7456.1 Ų56.140%0.39630%0.298SS..THydrogen-bonded Turntrans57.424-177.3-65.9-26.2000114.9Y515Y515-N517 PolarHBondContact O-N 2.82Å
518K88.4Confident86.1Confident152 Ų15255.3 Ų55.366%0.66129%0.294SS*.EExtended strand (participates in β ladder)trans-127.7143.6173.6-65.9178.3-176.3172.50110.6Y515 E516Y515-K518 PolarHBondContact N-O 3.34Å; Y515-K518 PolarHBondContact O-N 3.5Å; E516-K518 PolarHBondContact O-N 2.62Å
519F92.6Very high85.5Confident29 Ų2959.3 Ų59.313%0.12731%0.314CS..EExtended strand (participates in β ladder)trans-76130.2172.8-67.7-67.6000110.8L469 A473 E476 L477 A512 I513 L514 I533L469-F519 HydrophobicContact CD2-CE1 4.14Å; L469-F519 HydrophobicContact CD2-CZ 3.63Å; A473-F519 HydrophobicContact CB-CE2 3.76Å; A473-F519 HydrophobicContact CB-CZ 3.97Å; A473-F519 WeakPolarHBondContact O-CE2 3.3Å; E476-F519 HydrophobicContact CB-CD2 4.34Å; E476-F519 HydrophobicContact CB-CE2 4.24Å; E476-F519 HydrophobicContact CG-CD2 4.22Å; L477-F519 HydrophobicContact CD1-CE1 4.49Å; L477-F519 HydrophobicContact CD1-CZ 3.83Å; L477-F519 HydrophobicContact CD2-CD1 4.36Å; L477-F519 HydrophobicContact CD2-CE1 3.66Å; L477-F519 HydrophobicContact CD2-CE2 3.99Å; L477-F519 HydrophobicContact CD2-CZ 3.44Å; L477-F519 VanDerWaalsContact CD2-CZ 3.44Å; L477-F519 HydrophobicContact CG-CE1 4.2Å; L477-F519 HydrophobicContact CG-CE2 3.9Å; L477-F519 HydrophobicContact CG-CZ 3.47Å; L477-F519 VanDerWaalsContact CG-CZ 3.47Å; A512-F519 HydrophobicContact CB-CD1 3.89Å; A512-F519 HydrophobicContact CB-CE1 3.98Å; I513-F519 CarbonylContact O-C 3.51Å; I513-F519 VanDerWaalsContact O-CA 3.28Å; I513-F519 WeakPolarHBondContact O-CA 3.02Å; L514-F519 HydrophobicContact CB-CD1 4.29Å; L514-F519 HydrophobicContact CB-CE1 4.14Å; L514-F519 HydrophobicContact CD1-CD1 4.02Å; L514-F519 HydrophobicContact CD1-CE1 3.88Å; L514-F519 HydrophobicContact CD1-CE2 4.47Å; L514-F519 HydrophobicContact CD1-CG 4.37Å; L514-F519 HydrophobicContact CD1-CZ 4.13Å; F519-I533 HydrophobicContact CE1-CD1 4.32Å
520V92.6Very high85.2Confident44 Ų4457.4 Ų57.427%0.26730%0.302SS..EExtended strand (participates in β ladder)trans-125.1151.6-179.9-62.20000110.4I513I513-V520 HydrophobicContact CB-CG2 4.06Å; I513-V520 HydrophobicContact CG2-CG2 3.81Å; I513-V520 PolarHBondContact O-N 2.81Å
521E93.1Very high85Confident134 Ų13457.3 Ų57.363%0.62630%0.301SS*.SBendtrans-76.3-26.8179.1-65.9-60143.800112.8I586 V587E521-I586 WeakPolarHBondContact O-CA 3.33Å; E521-I586 WeakPolarHBondContact O-CG2 2.84Å; E521-V587 PolarHBondContact O-N 2.95Å
522S90.6Very high85Confident55 Ų5555.3 Ų55.339%0.38529%0.291SS..EExtended strand (participates in β ladder)trans-153.6151.1178.265.90000111.5L585S522-L585 CarbonylContact C-O 3.6Å; S522-L585 VanDerWaalsContact CA-O 3.26Å; S522-L585 WeakPolarHBondContact CA-O 3.49Å
523V86.6Confident85Confident7 Ų755.1 Ų55.14%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-129.2132167.381.30000109I513 Y515 L525 L581 K584 L585I513-V523 HydrophobicContact CG2-CB 4.29Å; I513-V523 HydrophobicContact CG2-CG1 4.13Å; Y515-V523 HydrophobicContact CD2-CG2 4.16Å; Y515-V523 HydrophobicContact CG-CG2 4.19Å; V523-L525 HydrophobicContact CG2-CB 4.4Å; V523-L525 HydrophobicContact CG2-CD1 4.26Å; V523-L581 HydrophobicContact CG1-CD2 3.33Å; V523-L581 WeakPolarHBondContact O-CD2 3.42Å; V523-K584 WeakPolarHBondContact O-CA 3.35Å; V523-L585 PolarHBondContact N-O 3.12Å; V523-L585 PolarHBondContact O-N 2.98Å
524D80.8Confident85.2Confident95 Ų9555.1 Ų55.151%0.50829%0.289SS..  trans-135.654-173.5-168.6-3.2000108.3K584D524-K584 HydrophobicContact CB-CB 4.27Å; D524-K584 HydrophobicContact CB-CD 4.18Å; D524-K584 HydrophobicContact CB-CG 3.94Å; D524-K584 IonicContact OD2-NZ 3.67Å
525L65.3Low85.4Confident77 Ų7757.6 Ų57.640%0.40330%0.302SS..  trans-135.298.2-170.4-65.7167.9000108Y515 V523 S527 Q528Y515-L525 HydrophobicContact CE1-CD1 4.31Å; V523-L525 HydrophobicContact CG2-CB 4.4Å; V523-L525 HydrophobicContact CG2-CD1 4.26Å; L525-S527 PolarHBondContact O-N 3.23Å; L525-Q528 HydrophobicContact CB-CB 4.29Å; L525-Q528 HydrophobicContact CB-CG 4.23Å; L525-Q528 VanDerWaalsContact CB-OE1 3.28Å
526S64.9Low85.7Confident77 Ų7758.3 Ų58.354%0.53831%0.306SS..THydrogen-bonded Turntrans-62.2129.8178.3-62.20000110.2L581S526-L581 CarbonylContact C-O 3.52Å; S526-L581 WeakPolarHBondContact CA-O 3.4Å
527S57.3Low86.4Confident80 Ų8052 Ų5256%0.55928%0.276SS*.THydrogen-bonded Turntrans73.721.7176.2-32.50000116.2L525 L581L525-S527 PolarHBondContact O-N 3.23Å; S527-L581 PolarHBondContact N-O 3.36Å
528Q71Confident87.3Confident73 Ų7348.9 Ų48.934%0.34126%0.26SS..EExtended strand (participates in β ladder)trans-104.7145.5170.3-71.6-168.1-28.500112.1Y515 L525 L581Y515-Q528 HydrophobicContact CE2-CB 4.15Å; Y515-Q528 PolarHBondContact OH-NE2 3.08Å; Y515-Q528 PolarHBondContact OH-OE1 2.81Å; L525-Q528 HydrophobicContact CB-CB 4.29Å; L525-Q528 HydrophobicContact CB-CG 4.23Å; L525-Q528 VanDerWaalsContact CB-OE1 3.28Å; Q528-L581 PolarHBondContact O-N 2.8Å
529M85Confident87.7Confident87 Ų8741.6 Ų41.643%0.42923%0.228SC..EExtended strand (participates in β ladder)trans-75129.8175.6-80.8-164.760.500111.4I467 I578 G579 N580I467-M529 HydrophobicContact CD1-CB 3.78Å; I467-M529 HydrophobicContact CD1-CE 4.14Å; M529-I578 HydrophobicContact CE-CG2 3.15Å; M529-G579 VanDerWaalsContact CA-O 3.26Å; M529-G579 WeakPolarHBondContact CA-O 3.38Å; M529-N580 VanDerWaalsContact CG-OD1 3.31Å; M529-N580 WeakPolarHBondContact CG-OD1 3.39Å
530C91Very high88Confident1 Ų140.3 Ų40.31%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-140.5167.3169.165.60000110.6L514 Y515 F563 G579L514-C530 CarbonylContact O-C 3.57Å; L514-C530 WeakPolarHBondContact O-CA 3.33Å; L514-C530 WeakPolarHBondContact O-CB 3.37Å; Y515-C530 HydrophobicContact CD2-CB 4.16Å; C530-F563 WeakPolarHBondContact O-CZ 3.29Å; C530-F563 WeakPolarHBondContact SG-CE2 3.41Å; C530-G579 PolarHBondContact N-O 2.81Å; C530-G579 PolarHBondContact O-N 2.79Å; C530-G579 VanDerWaalsContact O-N 3.15Å
531G94.4Very high88.1Confident0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-106.1139.5172.500000110.9I513 L514 H577I513-G531 CarbonylContact C-O 3.56Å; I513-G531 WeakPolarHBondContact CA-O 3.49Å; L514-G531 PolarHBondContact N-O 3.39Å; L514-G531 PolarHBondContact O-N 3.5Å; G531-H577 CarbonylContact C-O 3.59Å; G531-H577 VanDerWaalsContact CA-O 3.29Å; G531-H577 WeakPolarHBondContact CA-O 3.48Å
532I95.6Very high88.1Confident0 Ų035.6 Ų35.60%020%0.198CC..EExtended strand (participates in β ladder)trans-123.9131.9179-61.2171.2000109.4V510 L534 F563 H577 L585V510-I532 HydrophobicContact CG1-CG2 4.12Å; V510-I532 HydrophobicContact CG2-CG2 4.36Å; I532-L534 HydrophobicContact CG2-CD2 3.67Å; I532-L534 HydrophobicContact CG2-CG 4.17Å; I532-F563 HydrophobicContact CD1-CB 3.96Å; I532-F563 HydrophobicContact CD1-CD1 3.52Å; I532-F563 HydrophobicContact CD1-CD2 3.45Å; I532-F563 VanDerWaalsContact CD1-CD2 3.45Å; I532-F563 HydrophobicContact CD1-CE1 3.65Å; I532-F563 HydrophobicContact CD1-CE2 3.61Å; I532-F563 HydrophobicContact CD1-CG 3.36Å; I532-F563 HydrophobicContact CD1-CZ 3.66Å; I532-F563 HydrophobicContact CG1-CD2 4.42Å; I532-F563 HydrophobicContact CG1-CE1 4.27Å; I532-F563 HydrophobicContact CG1-CE2 4.12Å; I532-F563 HydrophobicContact CG1-CZ 3.98Å; I532-H577 HydrophobicContact CB-CB 4.43Å; I532-H577 PolarHBondContact N-O 3.37Å; I532-H577 PolarHBondContact O-N 3.01Å; I532-H577 PolarHBondContact O-ND1 2.81Å; I532-L585 HydrophobicContact CD1-CD2 3.33Å; I532-L585 HydrophobicContact CG1-CD2 3.99Å; I532-L585 HydrophobicContact CG2-CD2 4.44Å
533I97.2Very high88.2Confident1 Ų135.6 Ų35.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-107.1130.7169.7-58.8178.3000108.3L469 L477 L511 A512 F519 Y574 L576L469-I533 HydrophobicContact CD1-CD1 3.95Å; L469-I533 HydrophobicContact CD2-CD1 4.17Å; L477-I533 HydrophobicContact CD1-CD1 3.4Å; L477-I533 VanDerWaalsContact CD1-CD1 3.4Å; L477-I533 HydrophobicContact CD2-CD1 3.88Å; L477-I533 HydrophobicContact CG-CD1 4.29Å; L511-I533 HydrophobicContact CB-CG2 4.47Å; L511-I533 PolarHBondContact N-O 2.8Å; A512-I533 HydrophobicContact CB-CB 4.2Å; A512-I533 HydrophobicContact CB-CD1 4.28Å; A512-I533 PolarHBondContact N-O 3.26Å; A512-I533 PolarHBondContact O-N 2.77Å; F519-I533 HydrophobicContact CE1-CD1 4.32Å; I533-Y574 HydrophobicContact CD1-CD1 4.39Å; I533-Y574 HydrophobicContact CD1-CG 4.48Å; I533-Y574 HydrophobicContact CG2-CD1 4.03Å; I533-L576 HydrophobicContact CG1-CD1 4.2Å
534L97.8Very high88.1Confident0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-112.2161.5178.8-57.9177.9000110.6T485 A508 T509 V510 I532 K536 I553 V591 L593T485-L534 WeakPolarHBondContact CB-O 3.39Å; T485-L534 VanDerWaalsContact CG2-O 3.3Å; T485-L534 WeakPolarHBondContact CG2-O 3.4Å; T485-L534 PolarHBondContact OG1-O 3.26Å; A508-L534 HydrophobicContact CB-CB 4.26Å; A508-L534 HydrophobicContact CB-CD1 4.07Å; T509-L534 WeakPolarHBondContact O-CA 3.23Å; V510-L534 HydrophobicContact CB-CD2 4.43Å; V510-L534 HydrophobicContact CG2-CD2 3.94Å; I532-L534 HydrophobicContact CG2-CD2 3.67Å; I532-L534 HydrophobicContact CG2-CG 4.17Å; L534-K536 WeakPolarHBondContact CB-O 3.42Å; L534-I553 HydrophobicContact CD1-CD1 4.07Å; L534-V591 HydrophobicContact CD2-CG2 3.99Å; L534-L593 HydrophobicContact CD1-CD1 3.88Å; L534-L593 HydrophobicContact CD1-CD2 3.46Å; L534-L593 VanDerWaalsContact CD1-CD2 3.46Å; L534-L593 HydrophobicContact CD1-CG 4.31Å
535N97.4Very high88.5Confident54 Ų5434.3 Ų34.329%0.28921%0.209SC..SBendtrans-69.7-35.2171.969.1-37.1000112.6D486 A508 T509 L511D486-N535 PolarHBondContact N-O 2.87Å; A508-N535 WeakPolarHBondContact CA-OD1 3.2Å; A508-N535 WeakPolarHBondContact CB-OD1 3.16Å; T509-N535 PolarHBondContact N-OD1 2.92Å; T509-N535 PolarHBondContact O-N 2.88Å; T509-N535 VanDerWaalsContact O-N 3.08Å; T509-N535 PolarHBondContact O-OD1 2.81Å; L511-N535 HydrophobicContact CD1-CB 3.83Å; L511-N535 HydrophobicContact CD2-CB 4.17Å; L511-N535 HydrophobicContact CG-CB 4.03Å
536K97.2Very high90Very high51 Ų5130.7 Ų30.722%0.22219%0.19CC..BIsolated β-bridgetrans-146.8160.8173.766.5174.7-171161.70111.6D486 E489 S506 E507 A508 L534D486-K536 HydrophobicContact CB-CB 3.98Å; D486-K536 CarbonylContact O-C 3.39Å; D486-K536 WeakPolarHBondContact O-CA 3.5Å; D486-K536 VanDerWaalsContact O-CB 3.23Å; D486-K536 WeakPolarHBondContact O-CB 3.04Å; E489-K536 IonicContact OE1-NZ 2.7Å; E489-K536 PolarHBondContact OE1-NZ 2.88Å; E489-K536 IonicContact OE2-NZ 3.19Å; S506-K536 WeakPolarHBondContact OG-CE 3.42Å; E507-K536 WeakPolarHBondContact O-CE 3.06Å; A508-K536 HydrophobicContact CB-CG 4.18Å; A508-K536 VanDerWaalsContact CB-O 3.3Å; A508-K536 WeakPolarHBondContact CB-O 3.37Å; L534-K536 WeakPolarHBondContact CB-O 3.42Å
537T97.6Very high91.2Very high0 Ų028.5 Ų28.50%017%0.172CC..  trans-153.8149.6-179.2-170.30000114.2T485 D486 D487 F539 I575 H577T485-T537 HydrophobicContact CG2-CG2 3.8Å; D486-T537 PolarHBondContact O-N 3.5Å; D487-T537 HydrophobicContact CB-CG2 3.84Å; T537-F539 WeakPolarHBondContact OG1-CD2 3.24Å; T537-F539 PolarHBondContact OG1-N 2.83Å; T537-F539 VanDerWaalsContact OG1-N 3.13Å; T537-I575 HydrophobicContact CG2-CB 4.15Å; T537-I575 HydrophobicContact CG2-CG1 4.15Å; T537-I575 HydrophobicContact CG2-CG2 4.02Å; T537-H577 WeakPolarHBondContact CB-NE2 3.22Å; T537-H577 PolarHBondContact OG1-NE2 3.3Å
538I97Very high93Very high9 Ų927.2 Ų27.25%0.04616%0.155CC..SBendtrans-92.6-9.3169.558.7174.6000112.7E489 K490 S506 L593 L595 R600E489-I538 HydrophobicContact CB-CG2 3.83Å; K490-I538 WeakPolarHBondContact CA-O 3.14Å; K490-I538 WeakPolarHBondContact CB-O 3.19Å; S506-I538 VanDerWaalsContact CB-CG2 3.48Å; I538-L593 HydrophobicContact CD1-CB 3.9Å; I538-L593 VanDerWaalsContact CD1-O 3.25Å; I538-L593 WeakPolarHBondContact CD1-O 3.27Å; I538-L593 HydrophobicContact CG1-CB 3.82Å; I538-L593 HydrophobicContact CG1-CD1 4.38Å; I538-L595 HydrophobicContact CB-CD1 4.35Å; I538-L595 HydrophobicContact CD1-CD1 3.89Å; I538-L595 HydrophobicContact CD1-CD2 4.43Å; I538-L595 HydrophobicContact CD1-CG 3.69Å; I538-L595 HydrophobicContact CG1-CD1 4.14Å; I538-L595 HydrophobicContact CG1-CD2 4.21Å; I538-L595 HydrophobicContact CG1-CG 3.99Å; I538-R600 PolarHBondContact O-NH2 2.99Å
539F97.3Very high94.2Very high0 Ų023.8 Ų23.80%014%0.139CC..PPolyproline II helixtrans-76.2135.8-178.9-71.5-101.9000111.2T537 D549 I553 V565 V568 L593 L595T537-F539 WeakPolarHBondContact OG1-CD2 3.24Å; T537-F539 PolarHBondContact OG1-N 2.83Å; T537-F539 VanDerWaalsContact OG1-N 3.13Å; F539-D549 HydrophobicContact CD1-CB 3.87Å; F539-I553 HydrophobicContact CE2-CG1 4.28Å; F539-V565 HydrophobicContact CD1-CB 4.44Å; F539-V565 HydrophobicContact CD1-CG1 4.08Å; F539-V565 HydrophobicContact CE1-CB 3.77Å; F539-V565 HydrophobicContact CE1-CG1 3.91Å; F539-V565 HydrophobicContact CE1-CG2 3.84Å; F539-V565 HydrophobicContact CE2-CG2 4.47Å; F539-V565 HydrophobicContact CZ-CB 4.22Å; F539-V565 HydrophobicContact CZ-CG2 3.79Å; F539-V568 HydrophobicContact CB-CG1 4.27Å; F539-V568 HydrophobicContact CB-CG2 4.12Å; F539-V568 HydrophobicContact CD1-CG2 4.06Å; F539-V568 HydrophobicContact CG-CG2 4.43Å; F539-L593 HydrophobicContact CE2-CB 4.08Å; F539-L593 HydrophobicContact CE2-CD2 4.49Å; F539-L595 HydrophobicContact CB-CD2 4.46Å; F539-L595 HydrophobicContact CD1-CD2 3.67Å; F539-L595 HydrophobicContact CD2-CD2 4.17Å; F539-L595 HydrophobicContact CE1-CD2 3.87Å; F539-L595 HydrophobicContact CE2-CD2 4.34Å; F539-L595 HydrophobicContact CG-CD2 3.83Å; F539-L595 HydrophobicContact CZ-CD2 4.19Å
540Y97.5Very high94.4Very high2 Ų222.2 Ų22.21%0.00813%0.131CC..PPolyproline II helixtrans-83122.9170.3-172.8-93.8000109.4K490 S543 Q546 Y548 D549 G726 T728K490-Y540 HydrophobicContact CD-CD2 3.98Å; Y540-S543 PolarHBondContact OH-O 3.16Å; Y540-S543 PolarHBondContact OH-OG 3.36Å; Y540-Q546 HydrophobicContact CD1-CB 4.43Å; Y540-Q546 HydrophobicContact CD1-CG 3.98Å; Y540-Q546 HydrophobicContact CE1-CB 3.65Å; Y540-Q546 HydrophobicContact CE1-CG 3.7Å; Y540-Y548 WeakPolarHBondContact O-CA 3.37Å; Y540-D549 WeakPolarHBondContact CA-OD2 3.44Å; Y540-D549 WeakPolarHBondContact CB-OD2 3.44Å; Y540-D549 PolarHBondContact N-OD2 3.06Å; Y540-D549 PolarHBondContact O-N 2.68Å; Y540-D549 VanDerWaalsContact O-N 3.12Å; Y540-G726 WeakPolarHBondContact CE2-O 3.47Å; Y540-T728 HydrophobicContact CD2-CG2 4.13Å
541A96.4Very high94.4Very high3 Ų322.3 Ų22.33%0.02513%0.132CC..PPolyproline II helixtrans-78.4139.5169.100000110.7S543 V568 C570 I575A541-S543 PolarHBondContact O-N 3.08Å; A541-S543 PolarHBondContact O-OG 2.92Å; A541-V568 CarbonylContact C-O 3.54Å; A541-V568 VanDerWaalsContact CA-O 3.29Å; A541-V568 WeakPolarHBondContact CA-O 3.34Å; A541-V568 HydrophobicContact CB-CG1 3.87Å; A541-C570 HydrophobicContact CB-CB 3.99Å; A541-I575 HydrophobicContact CB-CD1 3.95Å; A541-I575 HydrophobicContact CB-CG2 4.28Å
542E93.1Very high94.3Very high75 Ų7526.6 Ų26.635%0.3515%0.151SC..SBendtrans-52.6118.3-180178.1173.4-172.500111.1Q546 L547 Y548 V568 Q569E542-Q546 WeakPolarHBondContact CA-O 3.42Å; E542-L547 HydrophobicContact CG-CD2 4.44Å; E542-L547 WeakPolarHBondContact OE1-CD2 3.48Å; E542-Y548 HydrophobicContact CB-CD1 3.86Å; E542-Y548 HydrophobicContact CB-CG 4.48Å; E542-Y548 VanDerWaalsContact OE2-CD1 3.32Å; E542-Y548 WeakPolarHBondContact OE2-CD1 3.45Å; E542-Y548 WeakPolarHBondContact OE2-CE1 3.37Å; E542-V568 PolarHBondContact N-O 3.47Å; E542-Q569 PolarHBondContact OE2-NE2 3.1Å
543S90.9Very high94.3Very high55 Ų5526.7 Ų26.739%0.38515%0.151SC..BIsolated β-bridgetrans-169.5154.9-175.555.20000110.6Y540 A541 G545 Q546Y540-S543 PolarHBondContact OH-O 3.16Å; Y540-S543 PolarHBondContact OH-OG 3.36Å; A541-S543 PolarHBondContact O-N 3.08Å; A541-S543 PolarHBondContact O-OG 2.92Å; S543-G545 PolarHBondContact O-N 2.72Å; S543-G545 VanDerWaalsContact O-N 3.15Å; S543-Q546 PolarHBondContact N-O 3.43Å; S543-Q546 VanDerWaalsContact N-O 3.14Å; S543-Q546 PolarHBondContact O-N 3.44Å
544G86.1Confident94Very high51 Ų5128.5 Ų28.553%0.52616%0.163SC..THydrogen-bonded Turntrans60.324.7177.700000114.5Q546G544-Q546 VanDerWaalsContact C-N 3.27Å; G544-Q546 PolarHBondContact O-N 2.84Å
545G89.2Confident93.7Very high25 Ų2529.1 Ų29.126%0.25817%0.167SC..THydrogen-bonded Turntrans83-13.4-174.400000114.9S543 L630 V631S543-G545 PolarHBondContact O-N 2.72Å; S543-G545 VanDerWaalsContact O-N 3.15Å; G545-L630 CarbonylContact O-C 3.44Å; G545-L630 VanDerWaalsContact O-CA 3.31Å; G545-L630 WeakPolarHBondContact O-CA 3.42Å; G545-V631 PolarHBondContact O-N 2.98Å
546Q95.6Very high93.3Very high0 Ų029.9 Ų29.90%017%0.171CC..BIsolated β-bridgetrans-81.1128.8174177.8-178.2-36.400111.2Y540 E542 S543 G544 L603 H607 V631 T728Y540-Q546 HydrophobicContact CD1-CB 4.43Å; Y540-Q546 HydrophobicContact CD1-CG 3.98Å; Y540-Q546 HydrophobicContact CE1-CB 3.65Å; Y540-Q546 HydrophobicContact CE1-CG 3.7Å; E542-Q546 WeakPolarHBondContact CA-O 3.42Å; S543-Q546 PolarHBondContact N-O 3.43Å; S543-Q546 VanDerWaalsContact N-O 3.14Å; S543-Q546 PolarHBondContact O-N 3.44Å; G544-Q546 VanDerWaalsContact C-N 3.27Å; G544-Q546 PolarHBondContact O-N 2.84Å; Q546-L603 HydrophobicContact CG-CB 4.44Å; Q546-L603 HydrophobicContact CG-CD2 4.28Å; Q546-H607 PolarHBondContact OE1-ND1 3.41Å; Q546-V631 HydrophobicContact CB-CB 4.2Å; Q546-V631 HydrophobicContact CB-CG1 4.44Å; Q546-V631 HydrophobicContact CG-CG1 4.34Å; Q546-T728 PolarHBondContact NE2-OG1 3.46Å; Q546-T728 PolarHBondContact OE1-OG1 2.97Å; Q546-T728 VanDerWaalsContact OE1-OG1 3.11Å
547L91Very high92.7Very high32 Ų3233 Ų3317%0.16819%0.194CC..PPolyproline II helixtrans-66.3153.2173.3-65-175.2000111.6E542 L603 L630 V631 A632E542-L547 HydrophobicContact CG-CD2 4.44Å; E542-L547 WeakPolarHBondContact OE1-CD2 3.48Å; L547-L603 HydrophobicContact CB-CD2 4.19Å; L547-L630 HydrophobicContact CD1-CD1 4.3Å; L547-L630 HydrophobicContact CD2-CD1 3.7Å; L547-L630 HydrophobicContact CG-CD1 3.88Å; L547-V631 PolarHBondContact N-O 3.05Å; L547-V631 VanDerWaalsContact N-O 3.08Å; L547-A632 HydrophobicContact CD1-CB 3.79Å
548Y94.4Very high91.9Very high53 Ų5336 Ų3621%0.20821%0.21CC..PPolyproline II helixtrans-57.1156.3175.148.5-103.1000113.4Y540 E542 H550 S566 D567 V568 R599Y540-Y548 WeakPolarHBondContact O-CA 3.37Å; E542-Y548 HydrophobicContact CB-CD1 3.86Å; E542-Y548 HydrophobicContact CB-CG 4.48Å; E542-Y548 VanDerWaalsContact OE2-CD1 3.32Å; E542-Y548 WeakPolarHBondContact OE2-CD1 3.45Å; E542-Y548 WeakPolarHBondContact OE2-CE1 3.37Å; Y548-H550 AromaticContact CD2-CD2 3.81Å; Y548-H550 AromaticContact CD2-NE2 3.88Å; Y548-H550 AromaticContact CE2-CD2 3.79Å; Y548-H550 AromaticContact CE2-NE2 3.37Å; Y548-H550 WeakPolarHBondContact CE2-NE2 3.36Å; Y548-S566 WeakPolarHBondContact CE2-O 3.38Å; Y548-D567 HydrophobicContact CD1-CB 4.4Å; Y548-D567 WeakPolarHBondContact CD1-OD1 3.37Å; Y548-D567 HydrophobicContact CD2-CB 4.44Å; Y548-D567 HydrophobicContact CE1-CB 4.21Å; Y548-D567 VanDerWaalsContact CE1-OD1 3.23Å; Y548-D567 WeakPolarHBondContact CE1-OD1 3.26Å; Y548-D567 HydrophobicContact CE2-CB 4.26Å; Y548-V568 WeakPolarHBondContact CB-O 3.33Å; Y548-R599 PolarHBondContact O-NE 2.79Å; Y548-R599 PolarHBondContact O-NH2 3.3Å
549D95.5Very high90.8Very high0 Ų045.2 Ų45.20%025%0.253CS..PPolyproline II helixtrans-78.5157.3170.2-71.5-56.5000113.4F539 Y540 L595 R600F539-D549 HydrophobicContact CD1-CB 3.87Å; Y540-D549 WeakPolarHBondContact CA-OD2 3.44Å; Y540-D549 WeakPolarHBondContact CB-OD2 3.44Å; Y540-D549 PolarHBondContact N-OD2 3.06Å; Y540-D549 PolarHBondContact O-N 2.68Å; Y540-D549 VanDerWaalsContact O-N 3.12Å; D549-L595 HydrophobicContact CB-CD2 3.99Å; D549-R600 IonicContact OD1-CZ 3.27Å; D549-R600 IonicContact OD1-NE 2.65Å; D549-R600 PolarHBondContact OD1-NE 3.27Å; D549-R600 IonicContact OD1-NH2 2.72Å; D549-R600 IonicContact OD2-CZ 3.31Å; D549-R600 IonicContact OD2-NE 3.71Å; D549-R600 PolarHBondContact OD2-NE 3.22Å; D549-R600 IonicContact OD2-NH2 2.68Å; D549-R600 PolarHBondContact OD2-NH2 3.07Å
550H90.4Very high89.9Confident54 Ų5450.3 Ų50.325%0.2528%0.284CS..  trans-110.5165165-64.5-178.5000109.3Y548 V565 S566 D596 R599Y548-H550 AromaticContact CD2-CD2 3.81Å; Y548-H550 AromaticContact CD2-NE2 3.88Å; Y548-H550 AromaticContact CE2-CD2 3.79Å; Y548-H550 AromaticContact CE2-NE2 3.37Å; Y548-H550 WeakPolarHBondContact CE2-NE2 3.36Å; H550-V565 WeakPolarHBondContact CA-O 3.39Å; H550-S566 PolarHBondContact NE2-O 3.07Å; H550-D596 HydrophobicContact CB-CB 4.1Å; H550-D596 PolarHBondContact O-N 2.92Å; H550-R599 PolarHBondContact CE1-NH1 3.34Å
551G91.6Very high89.2Confident4 Ų450.3 Ų50.34%0.04128%0.284CS..EExtended strand (participates in β ladder)trans160.3-156.8178.200000111.5V565 S594G551-V565 PolarHBondContact N-O 3.29Å; G551-V565 PolarHBondContact O-N 3.35Å; G551-S594 CarbonylContact C-O 3.58Å; G551-S594 VanDerWaalsContact CA-O 3.23Å; G551-S594 WeakPolarHBondContact CA-O 3.49Å
552F91.3Very high88.8Confident89 Ų8953.6 Ų53.639%0.3930%0.299SS..EExtended strand (participates in β ladder)trans-134.5144.7-173.3-54.3-85.3000110.5E562 F563 S564 S594F552-E562 HydrophobicContact CB-CG 4.34Å; F552-E562 HydrophobicContact CD1-CG 4.03Å; F552-E562 WeakPolarHBondContact CD1-OE1 3.26Å; F552-F563 CarbonylContact C-O 3.55Å; F552-F563 WeakPolarHBondContact CA-O 3.42Å; F552-S564 WeakPolarHBondContact CE1-OG 3.39Å; F552-S594 PolarHBondContact N-O 3.47Å; F552-S594 PolarHBondContact O-N 2.91Å
553I94.9Very high88.7Confident2 Ų250 Ų501%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-118108.3170.1-58.1177.4000105.9L534 F539 F563 V565 H577 V591 L592 L593L534-I553 HydrophobicContact CD1-CD1 4.07Å; F539-I553 HydrophobicContact CE2-CG1 4.28Å; I553-F563 HydrophobicContact CB-CB 4.16Å; I553-F563 HydrophobicContact CB-CD1 4.36Å; I553-F563 HydrophobicContact CD1-CD1 3.9Å; I553-F563 HydrophobicContact CD1-CE1 4.35Å; I553-F563 HydrophobicContact CG1-CD1 4.3Å; I553-F563 PolarHBondContact N-O 3.49Å; I553-F563 PolarHBondContact O-N 3.05Å; I553-V565 HydrophobicContact CD1-CG2 3.75Å; I553-V565 HydrophobicContact CG1-CG2 3.72Å; I553-H577 HydrophobicContact CD1-CB 4.09Å; I553-V591 HydrophobicContact CG2-CB 3.48Å; I553-V591 VanDerWaalsContact CG2-CB 3.48Å; I553-V591 HydrophobicContact CG2-CG1 3.77Å; I553-V591 HydrophobicContact CG2-CG2 3.55Å; I553-L592 WeakPolarHBondContact CA-O 3.37Å; I553-L593 HydrophobicContact CB-CD2 4.19Å; I553-L593 HydrophobicContact CD1-CD2 4.19Å; I553-L593 HydrophobicContact CG1-CD2 3.69Å; I553-L593 HydrophobicContact CG2-CD2 3.86Å
554T91.4Very high88.6Confident40 Ų4048.9 Ų48.925%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-107.5143.3-176.952.10000110.6E562 V591 L592T554-E562 HydrophobicContact CG2-CB 4.2Å; T554-E562 HydrophobicContact CG2-CG 3.9Å; T554-V591 CarbonylContact O-C 3.55Å; T554-V591 WeakPolarHBondContact O-CA 3.49Å; T554-V591 WeakPolarHBondContact O-CB 3.3Å; T554-L592 PolarHBondContact N-O 2.66Å; T554-L592 PolarHBondContact O-N 3.03Å; T554-L592 PolarHBondContact OG1-O 2.73Å
555S91Very high88.9Confident12 Ų1246.8 Ų46.88%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-70.8134.7176.3175.20000110.9T557 D558 T561S555-T557 PolarHBondContact O-N 3.1Å; S555-T557 PolarHBondContact OG-N 2.81Å; S555-T557 PolarHBondContact OG-OG1 2.72Å; S555-T557 VanDerWaalsContact OG-OG1 3.06Å; S555-D558 WeakPolarHBondContact CB-O 3.31Å; S555-D558 PolarHBondContact OG-N 3.21Å; S555-D558 VanDerWaalsContact OG-N 3.15Å; S555-T561 PolarHBondContact N-O 3.28Å
556L90.1Very high88.9Confident71 Ų7147.7 Ų47.737%0.37225%0.254SS..SBendtrans-72.8-7.5172.4-69.7179.5000113.2E507 R590 L592E507-L556 HydrophobicContact CB-CD1 4.26Å; E507-L556 HydrophobicContact CG-CD1 3.84Å; L556-R590 HydrophobicContact CB-CB 4.42Å; L556-R590 HydrophobicContact CD1-CB 3.86Å; L556-R590 HydrophobicContact CG-CB 4.47Å; L556-R590 PolarHBondContact N-O 2.88Å; L556-L592 HydrophobicContact CD2-CB 3.81Å; L556-L592 HydrophobicContact CD2-CD1 4.46Å
557T84.2Confident88.7Confident117 Ų11749.5 Ų49.572%0.71826%0.264SS*.SBendtrans-120.9-15.7-173.153.40000114S555S555-T557 PolarHBondContact O-N 3.1Å; S555-T557 PolarHBondContact OG-N 2.81Å; S555-T557 PolarHBondContact OG-OG1 2.72Å; S555-T557 VanDerWaalsContact OG-OG1 3.06Å
558D80.6Confident88.9Confident63 Ų6348 Ų4834%0.33726%0.256SS..  trans-139.3105.1-179.3175.320.3000109.6S555 V560 T561S555-D558 WeakPolarHBondContact CB-O 3.31Å; S555-D558 PolarHBondContact OG-N 3.21Å; S555-D558 VanDerWaalsContact OG-N 3.15Å; D558-V560 PolarHBondContact O-N 3.3Å; D558-V560 VanDerWaalsContact O-N 3.1Å; D558-V560 PolarHBondContact OD1-N 3.43Å; D558-V560 VanDerWaalsContact OD1-N 3.13Å; D558-T561 PolarHBondContact O-N 3.31Å; D558-T561 WeakPolarHBondContact OD2-CB 3.43Å; D558-T561 PolarHBondContact OD2-OG1 3.24Å
559E74.4Confident88.9Confident201 Ų20146.6 Ų46.694%0.93925%0.251SS*.THydrogen-bonded Turntrans-62.6-16.3-177.7-64.3-176.3172.200113.4
560V78.2Confident88.7Confident107 Ų10749.1 Ų49.165%0.64827%0.268SS*.THydrogen-bonded Turntrans-84.9-22.3178.2-171.90000111.8D558 E562D558-V560 PolarHBondContact O-N 3.3Å; D558-V560 VanDerWaalsContact O-N 3.1Å; D558-V560 PolarHBondContact OD1-N 3.43Å; D558-V560 VanDerWaalsContact OD1-N 3.13Å; V560-E562 PolarHBondContact O-N 3.37Å
561T83.8Confident88.6Confident2 Ų250.1 Ų50.11%0.01227%0.27CS..  trans-85.6110.7-175.4-70.30000111.3S555 D558 L581 H582 K584 L585S555-T561 PolarHBondContact N-O 3.28Å; D558-T561 PolarHBondContact O-N 3.31Å; D558-T561 WeakPolarHBondContact OD2-CB 3.43Å; D558-T561 PolarHBondContact OD2-OG1 3.24Å; T561-L581 HydrophobicContact CG2-CD1 4.22Å; T561-H582 CarbonylContact C-O 3.59Å; T561-H582 VanDerWaalsContact CA-O 3.32Å; T561-H582 WeakPolarHBondContact CA-O 3.31Å; T561-K584 VanDerWaalsContact CG2-O 3.25Å; T561-K584 WeakPolarHBondContact CG2-O 3.16Å; T561-K584 PolarHBondContact OG1-N 3.27Å; T561-K584 PolarHBondContact OG1-O 3.47Å; T561-L585 HydrophobicContact CG2-CD1 4.04Å
562E86.8Confident88.2Confident72 Ų7250.4 Ų50.434%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-136.1131.5178.3-178.6-175.795.100110.4F552 T554 V560 H582F552-E562 HydrophobicContact CB-CG 4.34Å; F552-E562 HydrophobicContact CD1-CG 4.03Å; F552-E562 WeakPolarHBondContact CD1-OE1 3.26Å; T554-E562 HydrophobicContact CG2-CB 4.2Å; T554-E562 HydrophobicContact CG2-CG 3.9Å; V560-E562 PolarHBondContact O-N 3.37Å; E562-H582 PolarHBondContact N-O 2.98Å; E562-H582 PolarHBondContact O-N 3.24Å
563F91.9Very high88Confident0 Ų047.4 Ų47.40%027%0.267CS..EExtended strand (participates in β ladder)trans-110.1114.9171.2177.6-94.6000110.2C530 I532 F552 I553 V565 H577 G579 N580 L581C530-F563 WeakPolarHBondContact O-CZ 3.29Å; C530-F563 WeakPolarHBondContact SG-CE2 3.41Å; I532-F563 HydrophobicContact CD1-CB 3.96Å; I532-F563 HydrophobicContact CD1-CD1 3.52Å; I532-F563 HydrophobicContact CD1-CD2 3.45Å; I532-F563 VanDerWaalsContact CD1-CD2 3.45Å; I532-F563 HydrophobicContact CD1-CE1 3.65Å; I532-F563 HydrophobicContact CD1-CE2 3.61Å; I532-F563 HydrophobicContact CD1-CG 3.36Å; I532-F563 HydrophobicContact CD1-CZ 3.66Å; I532-F563 HydrophobicContact CG1-CD2 4.42Å; I532-F563 HydrophobicContact CG1-CE1 4.27Å; I532-F563 HydrophobicContact CG1-CE2 4.12Å; I532-F563 HydrophobicContact CG1-CZ 3.98Å; F552-F563 CarbonylContact C-O 3.55Å; F552-F563 WeakPolarHBondContact CA-O 3.42Å; I553-F563 HydrophobicContact CB-CB 4.16Å; I553-F563 HydrophobicContact CB-CD1 4.36Å; I553-F563 HydrophobicContact CD1-CD1 3.9Å; I553-F563 HydrophobicContact CD1-CE1 4.35Å; I553-F563 HydrophobicContact CG1-CD1 4.3Å; I553-F563 PolarHBondContact N-O 3.49Å; I553-F563 PolarHBondContact O-N 3.05Å; F563-V565 HydrophobicContact CD1-CG2 3.72Å; F563-V565 HydrophobicContact CE1-CG2 3.84Å; F563-V565 PolarHBondContact O-N 3.41Å; F563-H577 HydrophobicContact CE1-CB 4.19Å; F563-H577 WeakPolarHBondContact CZ-O 3.26Å; F563-G579 WeakPolarHBondContact CE2-O 3.36Å; F563-N580 WeakPolarHBondContact CA-O 3.38Å; F563-L581 HydrophobicContact CB-CD1 3.88Å; F563-L581 HydrophobicContact CD2-CB 4.04Å; F563-L581 HydrophobicContact CD2-CD1 4.3Å
564S87.9Confident88Confident32 Ų3247.6 Ų47.622%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-82.1106.4177.5-73.60000110.1F552 G579 N580F552-S564 WeakPolarHBondContact CE1-OG 3.39Å; S564-G579 CarbonylContact O-C 3.49Å; S564-G579 WeakPolarHBondContact O-CA 3.49Å; S564-N580 PolarHBondContact N-O 2.93Å; S564-N580 PolarHBondContact O-N 3.24Å
565V93Very high88.2Confident7 Ų745.8 Ų45.84%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-77.8121.1-179.1-174.50000110F539 H550 G551 I553 F563 V568 H577F539-V565 HydrophobicContact CD1-CB 4.44Å; F539-V565 HydrophobicContact CD1-CG1 4.08Å; F539-V565 HydrophobicContact CE1-CB 3.77Å; F539-V565 HydrophobicContact CE1-CG1 3.91Å; F539-V565 HydrophobicContact CE1-CG2 3.84Å; F539-V565 HydrophobicContact CE2-CG2 4.47Å; F539-V565 HydrophobicContact CZ-CB 4.22Å; F539-V565 HydrophobicContact CZ-CG2 3.79Å; H550-V565 WeakPolarHBondContact CA-O 3.39Å; G551-V565 PolarHBondContact N-O 3.29Å; G551-V565 PolarHBondContact O-N 3.35Å; I553-V565 HydrophobicContact CD1-CG2 3.75Å; I553-V565 HydrophobicContact CG1-CG2 3.72Å; F563-V565 HydrophobicContact CD1-CG2 3.72Å; F563-V565 HydrophobicContact CE1-CG2 3.84Å; F563-V565 PolarHBondContact O-N 3.41Å; V565-V568 HydrophobicContact CG1-CG2 3.5Å; V565-V568 VanDerWaalsContact CG1-CG2 3.5Å; V565-H577 HydrophobicContact CG1-CB 4.32Å; V565-H577 HydrophobicContact CG2-CB 4.45Å
566S88.3Confident88.5Confident44 Ų4445.2 Ų45.231%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-114.6-15.2179.857.80000114.3Y548 H550 I578Y548-S566 WeakPolarHBondContact CE2-O 3.38Å; H550-S566 PolarHBondContact NE2-O 3.07Å; S566-I578 PolarHBondContact N-O 2.83Å; S566-I578 PolarHBondContact OG-O 2.78Å
567D91.7Very high88.8Confident38 Ų3841.9 Ų41.920%0.20324%0.235CC..EExtended strand (participates in β ladder)trans-153.6150.5176-176.93000109.2Y548 Q569 I578Y548-D567 HydrophobicContact CD1-CB 4.4Å; Y548-D567 WeakPolarHBondContact CD1-OD1 3.37Å; Y548-D567 HydrophobicContact CD2-CB 4.44Å; Y548-D567 HydrophobicContact CE1-CB 4.21Å; Y548-D567 VanDerWaalsContact CE1-OD1 3.23Å; Y548-D567 WeakPolarHBondContact CE1-OD1 3.26Å; Y548-D567 HydrophobicContact CE2-CB 4.26Å; D567-Q569 PolarHBondContact OD1-NE2 3.39Å; D567-I578 HydrophobicContact CB-CB 4.11Å; D567-I578 HydrophobicContact CB-CD1 4.47Å; D567-I578 PolarHBondContact N-O 2.76Å; D567-I578 PolarHBondContact O-N 2.93Å
568V96.3Very high89.3Confident0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-141.4120.4179.5-170.70000109.3F539 A541 E542 Y548 V565 I575 L576F539-V568 HydrophobicContact CB-CG1 4.27Å; F539-V568 HydrophobicContact CB-CG2 4.12Å; F539-V568 HydrophobicContact CD1-CG2 4.06Å; F539-V568 HydrophobicContact CG-CG2 4.43Å; A541-V568 CarbonylContact C-O 3.54Å; A541-V568 VanDerWaalsContact CA-O 3.29Å; A541-V568 WeakPolarHBondContact CA-O 3.34Å; A541-V568 HydrophobicContact CB-CG1 3.87Å; E542-V568 PolarHBondContact N-O 3.47Å; Y548-V568 WeakPolarHBondContact CB-O 3.33Å; V565-V568 HydrophobicContact CG1-CG2 3.5Å; V565-V568 VanDerWaalsContact CG1-CG2 3.5Å; V568-I575 HydrophobicContact CG1-CG2 3.34Å; V568-L576 WeakPolarHBondContact CA-O 3.38Å
569Q93.2Very high89.7Confident23 Ų2333.7 Ų33.711%0.10719%0.187CC..EExtended strand (participates in β ladder)trans-124.9144.2-174.2-64.3-65.8-42.300111.1E542 D567 R571 L576 I578E542-Q569 PolarHBondContact OE2-NE2 3.1Å; D567-Q569 PolarHBondContact OD1-NE2 3.39Å; Q569-R571 VanDerWaalsContact OE1-NH1 3.17Å; Q569-L576 PolarHBondContact N-O 2.8Å; Q569-L576 PolarHBondContact O-N 3.35Å; Q569-I578 HydrophobicContact CG-CD1 4.25Å
570C91.4Very high90.3Very high54 Ų5426.9 Ų26.937%0.36516%0.157SC..EExtended strand (participates in β ladder)trans-103.8126.9172.2-177.40000110.1A541 Y574 I575A541-C570 HydrophobicContact CB-CB 3.99Å; C570-Y574 WeakPolarHBondContact CA-O 3.29Å; C570-I575 HydrophobicContact CB-CD1 3.67Å
571R88.6Confident90.7Very high74 Ų7421.8 Ų21.828%0.27913%0.126SC..EExtended strand (participates in β ladder)trans-138.3118.6176.4-60.5-67.2-178-90.4-4.3109.8D468 L469 L474 Q569 G573 Y574D468-R571 WeakPolarHBondContact OD1-CG 3.41Å; D468-R571 IonicContact OD1-CZ 2.67Å; D468-R571 IonicContact OD1-NE 3.3Å; D468-R571 PolarHBondContact OD1-NE 3.26Å; D468-R571 IonicContact OD1-NH2 3.59Å; D468-R571 IonicContact OD2-CZ 3.29Å; D468-R571 IonicContact OD2-NE 3.1Å; D468-R571 PolarHBondContact OD2-NE 3.33Å; D468-R571 IonicContact OD2-NH2 2.71Å; D468-R571 PolarHBondContact OD2-NH2 2.94Å; L469-R571 HydrophobicContact CB-CB 3.92Å; L469-R571 HydrophobicContact CB-CG 4.09Å; L469-R571 HydrophobicContact CD1-CB 4.11Å; L474-R571 HydrophobicContact CD1-CB 4.44Å; L474-R571 HydrophobicContact CD2-CB 4.09Å; L474-R571 WeakPolarHBondContact CD2-O 3.47Å; Q569-R571 VanDerWaalsContact OE1-NH1 3.17Å; R571-G573 PolarHBondContact O-N 2.88Å; R571-G573 VanDerWaalsContact O-N 3.12Å; R571-Y574 PolarHBondContact N-O 3.39Å; R571-Y574 WeakPolarHBondContact O-CD2 3.44Å; R571-Y574 PolarHBondContact O-N 3.01Å
572G82.9Confident90.6Very high11 Ų1125.6 Ų25.611%0.11314%0.143CC..THydrogen-bonded Turntrans55.729.1179.300000114.6
573G87.7Confident90.5Very high26 Ų2622.9 Ų22.927%0.26814%0.135SC..THydrogen-bonded Turntrans88-8.8-176.400000115.5V484 T485 R571V484-G573 WeakPolarHBondContact CB-O 3.44Å; T485-G573 PolarHBondContact N-O 3.29Å; R571-G573 PolarHBondContact O-N 2.88Å; R571-G573 VanDerWaalsContact O-N 3.12Å
574Y94.2Very high90.3Very high6 Ų626.9 Ų26.92%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-85.6135.5173.5-59-84.1000110.6L474 L477 I482 S483 V484 I533 C570 R571L474-Y574 HydrophobicContact CD2-CD2 3.72Å; L474-Y574 HydrophobicContact CD2-CE2 4.17Å; L477-Y574 HydrophobicContact CB-CE1 4.19Å; L477-Y574 HydrophobicContact CB-CE2 4.12Å; L477-Y574 HydrophobicContact CD1-CD1 4.04Å; L477-Y574 HydrophobicContact CD1-CD2 3.87Å; L477-Y574 HydrophobicContact CD1-CE1 4.11Å; L477-Y574 HydrophobicContact CD1-CE2 3.95Å; L477-Y574 HydrophobicContact CD1-CG 3.91Å; I482-Y574 HydrophobicContact CG2-CE1 4.06Å; I482-Y574 PolarHBondContact O-OH 3.02Å; S483-Y574 WeakPolarHBondContact O-CE1 3.29Å; V484-Y574 HydrophobicContact CG1-CE1 4.3Å; V484-Y574 HydrophobicContact CG1-CE2 4.27Å; I533-Y574 HydrophobicContact CD1-CD1 4.39Å; I533-Y574 HydrophobicContact CD1-CG 4.48Å; I533-Y574 HydrophobicContact CG2-CD1 4.03Å; C570-Y574 WeakPolarHBondContact CA-O 3.29Å; R571-Y574 PolarHBondContact N-O 3.39Å; R571-Y574 WeakPolarHBondContact O-CD2 3.44Å; R571-Y574 PolarHBondContact O-N 3.01Å
575I96.2Very high90.4Very high2 Ų225.5 Ų25.51%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-95110.9171.3-53.7-55.5000109T485 D487 T537 A541 V568 C570 H577T485-I575 HydrophobicContact CG2-CB 3.93Å; T485-I575 HydrophobicContact CG2-CG1 3.94Å; T485-I575 PolarHBondContact OG1-N 2.86Å; D487-I575 HydrophobicContact CB-CG1 4.06Å; T537-I575 HydrophobicContact CG2-CB 4.15Å; T537-I575 HydrophobicContact CG2-CG1 4.15Å; T537-I575 HydrophobicContact CG2-CG2 4.02Å; A541-I575 HydrophobicContact CB-CD1 3.95Å; A541-I575 HydrophobicContact CB-CG2 4.28Å; V568-I575 HydrophobicContact CG1-CG2 3.34Å; C570-I575 HydrophobicContact CB-CD1 3.67Å; I575-H577 PolarHBondContact O-CE1 3.33Å; I575-H577 PolarHBondContact O-ND1 3.08Å
576L96.6Very high90.4Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-91.5113.2177.9-176.671.4000109.5L469 L514 I533 V568 Q569 I578L469-L576 HydrophobicContact CD1-CB 4.2Å; L469-L576 HydrophobicContact CD1-CD1 4.42Å; L469-L576 HydrophobicContact CG-CD1 4.26Å; L469-L576 HydrophobicContact CG-CD2 4.2Å; L514-L576 HydrophobicContact CD2-CD1 4.38Å; I533-L576 HydrophobicContact CG1-CD1 4.2Å; V568-L576 WeakPolarHBondContact CA-O 3.38Å; Q569-L576 PolarHBondContact N-O 2.8Å; Q569-L576 PolarHBondContact O-N 3.35Å; L576-I578 HydrophobicContact CD2-CD1 3.84Å; L576-I578 HydrophobicContact CD2-CG1 3.83Å; L576-I578 HydrophobicContact CG-CD1 4.35Å; L576-I578 HydrophobicContact CG-CG1 3.85Å
577H97Very high90.7Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-92.9116.8174.8-49.675.4000108.3G531 I532 T537 I553 F563 V565 I575G531-H577 CarbonylContact C-O 3.59Å; G531-H577 VanDerWaalsContact CA-O 3.29Å; G531-H577 WeakPolarHBondContact CA-O 3.48Å; I532-H577 HydrophobicContact CB-CB 4.43Å; I532-H577 PolarHBondContact N-O 3.37Å; I532-H577 PolarHBondContact O-N 3.01Å; I532-H577 PolarHBondContact O-ND1 2.81Å; T537-H577 WeakPolarHBondContact CB-NE2 3.22Å; T537-H577 PolarHBondContact OG1-NE2 3.3Å; I553-H577 HydrophobicContact CD1-CB 4.09Å; F563-H577 HydrophobicContact CE1-CB 4.19Å; F563-H577 WeakPolarHBondContact CZ-O 3.26Å; V565-H577 HydrophobicContact CG1-CB 4.32Å; V565-H577 HydrophobicContact CG2-CB 4.45Å; I575-H577 PolarHBondContact O-CE1 3.33Å; I575-H577 PolarHBondContact O-ND1 3.08Å
578I94.3Very high90.9Very high9 Ų928.7 Ų28.75%0.04617%0.168CC..EExtended strand (participates in β ladder)trans-109.5133.2-175.3-58.7167.9000108.5I467 M529 S566 D567 Q569 L576I467-I578 HydrophobicContact CG2-CG1 4.48Å; I467-I578 WeakPolarHBondContact O-CD1 3.39Å; M529-I578 HydrophobicContact CE-CG2 3.15Å; S566-I578 PolarHBondContact N-O 2.83Å; S566-I578 PolarHBondContact OG-O 2.78Å; D567-I578 HydrophobicContact CB-CB 4.11Å; D567-I578 HydrophobicContact CB-CD1 4.47Å; D567-I578 PolarHBondContact N-O 2.76Å; D567-I578 PolarHBondContact O-N 2.93Å; Q569-I578 HydrophobicContact CG-CD1 4.25Å; L576-I578 HydrophobicContact CD2-CD1 3.84Å; L576-I578 HydrophobicContact CD2-CG1 3.83Å; L576-I578 HydrophobicContact CG-CD1 4.35Å; L576-I578 HydrophobicContact CG-CG1 3.85Å
579G89.2Confident90.8Very high0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans177.8-176.6-169.400000113.5M529 C530 F563 S564M529-G579 VanDerWaalsContact CA-O 3.26Å; M529-G579 WeakPolarHBondContact CA-O 3.38Å; C530-G579 PolarHBondContact N-O 2.81Å; C530-G579 PolarHBondContact O-N 2.79Å; C530-G579 VanDerWaalsContact O-N 3.15Å; F563-G579 WeakPolarHBondContact CE2-O 3.36Å; S564-G579 CarbonylContact O-C 3.49Å; S564-G579 WeakPolarHBondContact O-CA 3.49Å
580N86.4Confident91Very high57 Ų5735.8 Ų35.831%0.30520%0.196SC..EExtended strand (participates in β ladder)trans-103.4132178.7-63.7-64.7000110.5M529 F563 S564M529-N580 VanDerWaalsContact CG-OD1 3.31Å; M529-N580 WeakPolarHBondContact CG-OD1 3.39Å; F563-N580 WeakPolarHBondContact CA-O 3.38Å; S564-N580 PolarHBondContact N-O 2.93Å; S564-N580 PolarHBondContact O-N 3.24Å
581L88.1Confident91.2Very high1 Ų133.2 Ų33.21%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-89.5137.1173.2-17469.1000111.4V523 S526 S527 Q528 T561 F563 G583 L585V523-L581 HydrophobicContact CG1-CD2 3.33Å; V523-L581 WeakPolarHBondContact O-CD2 3.42Å; S526-L581 CarbonylContact C-O 3.52Å; S526-L581 WeakPolarHBondContact CA-O 3.4Å; S527-L581 PolarHBondContact N-O 3.36Å; Q528-L581 PolarHBondContact O-N 2.8Å; T561-L581 HydrophobicContact CG2-CD1 4.22Å; F563-L581 HydrophobicContact CB-CD1 3.88Å; F563-L581 HydrophobicContact CD2-CB 4.04Å; F563-L581 HydrophobicContact CD2-CD1 4.3Å; L581-G583 WeakPolarHBondContact CD2-O 3.38Å; L581-L585 HydrophobicContact CD1-CB 4.03Å; L581-L585 HydrophobicContact CD2-CB 3.88Å
582H81.4Confident91.5Very high81 Ų8131.8 Ų31.838%0.37518%0.176SC..EExtended strand (participates in β ladder)trans-113.9130.5158.4-68.1-83.6000108.3T561 E562T561-H582 CarbonylContact C-O 3.59Å; T561-H582 VanDerWaalsContact CA-O 3.32Å; T561-H582 WeakPolarHBondContact CA-O 3.31Å; E562-H582 PolarHBondContact N-O 2.98Å; E562-H582 PolarHBondContact O-N 3.24Å
583G83.7Confident92.2Very high15 Ų1531.3 Ų31.316%0.15517%0.171CC..SBendtrans87-148.2-172.300000113.2L581L581-G583 WeakPolarHBondContact CD2-O 3.38Å
584K88.3Confident92.3Very high85 Ų8531.5 Ų31.537%0.3717%0.168SC..  trans-130.7124.2-171.8-179.4178.3-170.9168.40111.4V523 D524 T561 I586V523-K584 WeakPolarHBondContact O-CA 3.35Å; D524-K584 HydrophobicContact CB-CB 4.27Å; D524-K584 HydrophobicContact CB-CD 4.18Å; D524-K584 HydrophobicContact CB-CG 3.94Å; D524-K584 IonicContact OD2-NZ 3.67Å; T561-K584 VanDerWaalsContact CG2-O 3.25Å; T561-K584 WeakPolarHBondContact CG2-O 3.16Å; T561-K584 PolarHBondContact OG1-N 3.27Å; T561-K584 PolarHBondContact OG1-O 3.47Å; K584-I586 HydrophobicContact CD-CD1 4.39Å; K584-I586 HydrophobicContact CD-CG1 4.48Å; K584-I586 HydrophobicContact CG-CG1 4.25Å
585L89.5Confident92.2Very high2 Ų232 Ų321%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-115.4135.3175.2-158.673.5000110.5V510 I513 S522 V523 I532 T561 L581 N589 V591V510-L585 HydrophobicContact CG1-CD2 4.34Å; V510-L585 HydrophobicContact CG2-CD1 4.1Å; V510-L585 HydrophobicContact CG2-CD2 3.83Å; V510-L585 HydrophobicContact CG2-CG 4.04Å; I513-L585 HydrophobicContact CD1-CB 4.29Å; I513-L585 HydrophobicContact CD1-CD2 4.38Å; I513-L585 HydrophobicContact CD1-CG 4.34Å; I513-L585 WeakPolarHBondContact CD1-O 3.49Å; S522-L585 CarbonylContact C-O 3.6Å; S522-L585 VanDerWaalsContact CA-O 3.26Å; S522-L585 WeakPolarHBondContact CA-O 3.49Å; V523-L585 PolarHBondContact N-O 3.12Å; V523-L585 PolarHBondContact O-N 2.98Å; I532-L585 HydrophobicContact CD1-CD2 3.33Å; I532-L585 HydrophobicContact CG1-CD2 3.99Å; I532-L585 HydrophobicContact CG2-CD2 4.44Å; T561-L585 HydrophobicContact CG2-CD1 4.04Å; L581-L585 HydrophobicContact CD1-CB 4.03Å; L581-L585 HydrophobicContact CD2-CB 3.88Å; L585-N589 HydrophobicContact CD1-CB 4.25Å; L585-V591 HydrophobicContact CD1-CG1 3.99Å
586I93.2Very high91.9Very high65 Ų6534.9 Ų34.933%0.33319%0.187SC..EExtended strand (participates in β ladder)trans-124.2142.8-179.7-50.2174000108E521 K584 G588 N589E521-I586 WeakPolarHBondContact O-CA 3.33Å; E521-I586 WeakPolarHBondContact O-CG2 2.84Å; K584-I586 HydrophobicContact CD-CD1 4.39Å; K584-I586 HydrophobicContact CD-CG1 4.48Å; K584-I586 HydrophobicContact CG-CG1 4.25Å; I586-G588 PolarHBondContact O-N 3.03Å; I586-N589 PolarHBondContact N-OD1 3.35Å; I586-N589 VanDerWaalsContact O-CB 3.29Å; I586-N589 WeakPolarHBondContact O-CB 3.4Å; I586-N589 PolarHBondContact O-N 3.28Å; I586-N589 PolarHBondContact O-OD1 3.39Å
587V95.6Very high91.6Very high45 Ų4538 Ų3827%0.27321%0.206SC..THydrogen-bonded Turntrans-53.4133.1169.3175.90000109.6L511 I513 E521L511-V587 WeakPolarHBondContact O-CG1 3.37Å; I513-V587 HydrophobicContact CD1-CG2 4.23Å; I513-V587 HydrophobicContact CG1-CG2 4.1Å; E521-V587 PolarHBondContact O-N 2.95Å
588G95.1Very high91.2Very high47 Ų4743.3 Ų43.349%0.48524%0.238SC..THydrogen-bonded Turntrans90.4-7.5-174.500000115.3V510 I586V510-G588 PolarHBondContact O-N 3.06Å; I586-G588 PolarHBondContact O-N 3.03Å
589N94.6Very high91Very high34 Ų3444.5 Ų44.518%0.18224%0.242CC..  trans-61139.8172-74167.3000111.3T509 V510 L585 I586T509-N589 WeakPolarHBondContact CA-O 3.34Å; V510-N589 HydrophobicContact CG2-CB 4.42Å; V510-N589 PolarHBondContact N-O 3.31Å; L585-N589 HydrophobicContact CD1-CB 4.25Å; I586-N589 PolarHBondContact N-OD1 3.35Å; I586-N589 VanDerWaalsContact O-CB 3.29Å; I586-N589 WeakPolarHBondContact O-CB 3.4Å; I586-N589 PolarHBondContact O-N 3.28Å; I586-N589 PolarHBondContact O-OD1 3.39Å
590R96.9Very high91.3Very high138 Ų13844.6 Ų44.652%0.52124%0.242SC..EExtended strand (participates in β ladder)trans-88.6133.2169.4-63.7-178.765.2-174.93.7109.4E507 A508 L556E507-R590 IonicContact OE2-CZ 3.61Å; E507-R590 IonicContact OE2-NH2 3.63Å; E507-R590 PolarHBondContact OE2-NH2 3.15Å; A508-R590 CarbonylContact O-C 3.17Å; A508-R590 WeakPolarHBondContact O-CA 3.44Å; L556-R590 HydrophobicContact CB-CB 4.42Å; L556-R590 HydrophobicContact CD1-CB 3.86Å; L556-R590 HydrophobicContact CG-CB 4.47Å; L556-R590 PolarHBondContact N-O 2.88Å
591V96.3Very high91.7Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-131.4149-172.4-650000110.9E507 A508 V510 L534 I553 T554 L585 L593E507-V591 CarbonylContact C-O 3.58Å; E507-V591 VanDerWaalsContact CA-O 3.29Å; E507-V591 WeakPolarHBondContact CA-O 3.48Å; A508-V591 HydrophobicContact CB-CG2 4.16Å; A508-V591 PolarHBondContact N-O 3.13Å; A508-V591 WeakPolarHBondContact O-CG2 3.47Å; A508-V591 PolarHBondContact O-N 2.84Å; V510-V591 HydrophobicContact CG2-CG1 3.98Å; V510-V591 HydrophobicContact CG2-CG2 4.46Å; L534-V591 HydrophobicContact CD2-CG2 3.99Å; I553-V591 HydrophobicContact CG2-CB 3.48Å; I553-V591 VanDerWaalsContact CG2-CB 3.48Å; I553-V591 HydrophobicContact CG2-CG1 3.77Å; I553-V591 HydrophobicContact CG2-CG2 3.55Å; T554-V591 CarbonylContact O-C 3.55Å; T554-V591 WeakPolarHBondContact O-CA 3.49Å; T554-V591 WeakPolarHBondContact O-CB 3.3Å; L585-V591 HydrophobicContact CD1-CG1 3.99Å; V591-L593 HydrophobicContact CG2-CD2 3.97Å
592L95.1Very high91.8Very high44 Ų4443.4 Ų43.423%0.2324%0.239CC..EExtended strand (participates in β ladder)trans-97.4131.9168.9-16970.2000109.1D505 E507 I553 T554 L556D505-L592 HydrophobicContact CB-CD1 3.71Å; D505-L592 HydrophobicContact CB-CD2 4.35Å; D505-L592 HydrophobicContact CB-CG 4.03Å; E507-L592 HydrophobicContact CG-CD1 4Å; I553-L592 WeakPolarHBondContact CA-O 3.37Å; T554-L592 PolarHBondContact N-O 2.66Å; T554-L592 PolarHBondContact O-N 3.03Å; T554-L592 PolarHBondContact OG1-O 2.73Å; L556-L592 HydrophobicContact CD2-CB 3.81Å; L556-L592 HydrophobicContact CD2-CD1 4.46Å
593L96.3Very high92.5Very high0 Ų039.5 Ų39.50%022%0.221CC..EExtended strand (participates in β ladder)trans-102.5124.7-179.8-50.4-176.3000109.2D505 S506 A508 L534 I538 F539 I553 V591D505-L593 WeakPolarHBondContact CA-O 3.49Å; S506-L593 PolarHBondContact N-O 3.47Å; S506-L593 WeakPolarHBondContact O-CB 3.3Å; S506-L593 WeakPolarHBondContact O-CG 3.48Å; S506-L593 PolarHBondContact O-N 3.3Å; A508-L593 HydrophobicContact CB-CD1 3.86Å; A508-L593 HydrophobicContact CB-CD2 4.37Å; A508-L593 HydrophobicContact CB-CG 4.17Å; L534-L593 HydrophobicContact CD1-CD1 3.88Å; L534-L593 HydrophobicContact CD1-CD2 3.46Å; L534-L593 VanDerWaalsContact CD1-CD2 3.46Å; L534-L593 HydrophobicContact CD1-CG 4.31Å; I538-L593 HydrophobicContact CD1-CB 3.9Å; I538-L593 VanDerWaalsContact CD1-O 3.25Å; I538-L593 WeakPolarHBondContact CD1-O 3.27Å; I538-L593 HydrophobicContact CG1-CB 3.82Å; I538-L593 HydrophobicContact CG1-CD1 4.38Å; F539-L593 HydrophobicContact CE2-CB 4.08Å; F539-L593 HydrophobicContact CE2-CD2 4.49Å; I553-L593 HydrophobicContact CB-CD2 4.19Å; I553-L593 HydrophobicContact CD1-CD2 4.19Å; I553-L593 HydrophobicContact CG1-CD2 3.69Å; I553-L593 HydrophobicContact CG2-CD2 3.86Å; V591-L593 HydrophobicContact CG2-CD2 3.97Å
594S89.6Confident93.2Very high30 Ų3038.8 Ų38.821%0.2121%0.214CC..EExtended strand (participates in β ladder)trans-131.8134.9177.2-61.70000110.6D505 G551 F552D505-S594 WeakPolarHBondContact OD1-CB 3.23Å; D505-S594 PolarHBondContact OD1-OG 3.1Å; G551-S594 CarbonylContact C-O 3.58Å; G551-S594 VanDerWaalsContact CA-O 3.23Å; G551-S594 WeakPolarHBondContact CA-O 3.49Å; F552-S594 PolarHBondContact N-O 3.47Å; F552-S594 PolarHBondContact O-N 2.91Å
595L93.4Very high93.7Very high18 Ų1837 Ų379%0.09421%0.205CC..EExtended strand (participates in β ladder)trans-94.9151-175.5-65.7164.4000112.3F503 I538 F539 D549 T597 R600F503-L595 HydrophobicContact CB-CD1 4.12Å; F503-L595 HydrophobicContact CD1-CD1 4.38Å; F503-L595 HydrophobicContact CG-CD1 4.29Å; I538-L595 HydrophobicContact CB-CD1 4.35Å; I538-L595 HydrophobicContact CD1-CD1 3.89Å; I538-L595 HydrophobicContact CD1-CD2 4.43Å; I538-L595 HydrophobicContact CD1-CG 3.69Å; I538-L595 HydrophobicContact CG1-CD1 4.14Å; I538-L595 HydrophobicContact CG1-CD2 4.21Å; I538-L595 HydrophobicContact CG1-CG 3.99Å; F539-L595 HydrophobicContact CB-CD2 4.46Å; F539-L595 HydrophobicContact CD1-CD2 3.67Å; F539-L595 HydrophobicContact CD2-CD2 4.17Å; F539-L595 HydrophobicContact CE1-CD2 3.87Å; F539-L595 HydrophobicContact CE2-CD2 4.34Å; F539-L595 HydrophobicContact CG-CD2 3.83Å; F539-L595 HydrophobicContact CZ-CD2 4.19Å; D549-L595 HydrophobicContact CB-CD2 3.99Å; L595-T597 VanDerWaalsContact C-N 3.3Å; L595-T597 PolarHBondContact O-N 3.3Å; L595-R600 VanDerWaalsContact CD1-CZ 3.45Å
596D88.7Confident94.1Very high61 Ų6137 Ų3733%0.32621%0.205SC..  trans-6892.7156.6-179.6-14.4000108.8H550 V598 R599 R600H550-D596 HydrophobicContact CB-CB 4.1Å; H550-D596 PolarHBondContact O-N 2.92Å; D596-V598 PolarHBondContact O-N 3.11Å; D596-V598 WeakPolarHBondContact OD1-CB 3.4Å; D596-V598 PolarHBondContact OD1-N 3.36Å; D596-V598 VanDerWaalsContact OD1-N 3.13Å; D596-R599 HydrophobicContact CB-CB 3.98Å; D596-R599 VanDerWaalsContact CG-CB 3.48Å; D596-R599 PolarHBondContact O-N 2.95Å; D596-R599 PolarHBondContact OD1-N 3.5Å; D596-R599 WeakPolarHBondContact OD2-CB 3.36Å; D596-R600 PolarHBondContact O-N 2.8Å
597T91.3Very high94.3Very high67 Ų6734.2 Ų34.241%0.41119%0.19SC..Hα-helixtrans-64.1-28.5-175.3620000112.8F503 L595 T601F503-T597 HydrophobicContact CD2-CG2 3.75Å; F503-T597 HydrophobicContact CE2-CG2 4.4Å; L595-T597 VanDerWaalsContact C-N 3.3Å; L595-T597 PolarHBondContact O-N 3.3Å; T597-T601 VanDerWaalsContact O-CB 3.28Å; T597-T601 WeakPolarHBondContact O-CB 3.39Å; T597-T601 PolarHBondContact O-N 3.37Å; T597-T601 PolarHBondContact O-OG1 3.44Å
598V87.6Confident94.4Very high110 Ų11032 Ų3267%0.66718%0.177SC*.Hα-helixtrans-69.2-49.2177.2178.90000109.3D596 A602D596-V598 PolarHBondContact O-N 3.11Å; D596-V598 WeakPolarHBondContact OD1-CB 3.4Å; D596-V598 PolarHBondContact OD1-N 3.36Å; D596-V598 VanDerWaalsContact OD1-N 3.13Å; V598-A602 WeakPolarHBondContact O-CB 3.17Å; V598-A602 PolarHBondContact O-N 3.03Å
599R90.9Very high94.5Very high34 Ų3429.8 Ų29.813%0.12815%0.154CC..Hα-helixtrans-59.4-51.6175.4-176.7-173.7175.388.4-4.6111.3Y548 H550 D596 T601 A602 L603 P633Y548-R599 PolarHBondContact O-NE 2.79Å; Y548-R599 PolarHBondContact O-NH2 3.3Å; H550-R599 PolarHBondContact CE1-NH1 3.34Å; D596-R599 HydrophobicContact CB-CB 3.98Å; D596-R599 VanDerWaalsContact CG-CB 3.48Å; D596-R599 PolarHBondContact O-N 2.95Å; D596-R599 PolarHBondContact OD1-N 3.5Å; D596-R599 WeakPolarHBondContact OD2-CB 3.36Å; R599-T601 PolarHBondContact O-N 3.34Å; R599-A602 PolarHBondContact O-N 3.13Å; R599-L603 HydrophobicContact CG-CD1 4.05Å; R599-L603 HydrophobicContact CG-CG 4.49Å; R599-L603 WeakPolarHBondContact O-CG 3.49Å; R599-L603 PolarHBondContact O-N 3.4Å; R599-P633 HydrophobicContact CG-CB 4.35Å; R599-P633 HydrophobicContact CG-CG 3.68Å
600R94.6Very high94.7Very high2 Ų228.3 Ų28.31%0.00815%0.146CC..Hα-helixtrans-57.2-47.2-179.3171.463.576.272.91.6111.7F503 I538 D549 L595 D596 A602 L603 M604F503-R600 HydrophobicContact CD1-CG 4.2Å; F503-R600 HydrophobicContact CE1-CG 3.52Å; F503-R600 HydrophobicContact CE2-CB 4.47Å; F503-R600 HydrophobicContact CE2-CG 4.02Å; F503-R600 HydrophobicContact CZ-CB 4.29Å; F503-R600 HydrophobicContact CZ-CG 3.41Å; F503-R600 VanDerWaalsContact CZ-CG 3.41Å; I538-R600 PolarHBondContact O-NH2 2.99Å; D549-R600 IonicContact OD1-CZ 3.27Å; D549-R600 IonicContact OD1-NE 2.65Å; D549-R600 PolarHBondContact OD1-NE 3.27Å; D549-R600 IonicContact OD1-NH2 2.72Å; D549-R600 IonicContact OD2-CZ 3.31Å; D549-R600 IonicContact OD2-NE 3.71Å; D549-R600 PolarHBondContact OD2-NE 3.22Å; D549-R600 IonicContact OD2-NH2 2.68Å; D549-R600 PolarHBondContact OD2-NH2 3.07Å; L595-R600 VanDerWaalsContact CD1-CZ 3.45Å; D596-R600 PolarHBondContact O-N 2.8Å; R600-A602 VanDerWaalsContact C-N 3.32Å; R600-A602 PolarHBondContact O-N 3.31Å; R600-L603 WeakPolarHBondContact O-CB 3.16Å; R600-L603 PolarHBondContact O-N 3.41Å; R600-M604 HydrophobicContact CG-CG 4.49Å; R600-M604 HydrophobicContact CG-SD 3.72Å; R600-M604 VanDerWaalsContact O-CG 3.25Å; R600-M604 WeakPolarHBondContact O-CG 3.42Å; R600-M604 PolarHBondContact O-N 3.44Å
601T95.1Very high94.7Very high15 Ų1522.1 Ų22.19%0.09212%0.123CC..Hα-helixtrans-63.3-39.8179.6-56.80000111.2Y501 T597 R599 M604 R605Y501-T601 HydrophobicContact CD2-CG2 3.84Å; Y501-T601 HydrophobicContact CE2-CG2 4.26Å; T597-T601 VanDerWaalsContact O-CB 3.28Å; T597-T601 WeakPolarHBondContact O-CB 3.39Å; T597-T601 PolarHBondContact O-N 3.37Å; T597-T601 PolarHBondContact O-OG1 3.44Å; R599-T601 PolarHBondContact O-N 3.34Å; T601-M604 PolarHBondContact O-N 3.24Å; T601-R605 VanDerWaalsContact O-CG 3.32Å; T601-R605 WeakPolarHBondContact O-CG 3.23Å; T601-R605 PolarHBondContact O-N 2.75Å
602A91.4Very high94.8Very high18 Ų1822.1 Ų22.115%0.14912%0.123CC..Hα-helixtrans-66.2-40.8176.900000112.4V598 R599 R600 R605 N606 P633V598-A602 WeakPolarHBondContact O-CB 3.17Å; V598-A602 PolarHBondContact O-N 3.03Å; R599-A602 PolarHBondContact O-N 3.13Å; R600-A602 VanDerWaalsContact C-N 3.32Å; R600-A602 PolarHBondContact O-N 3.31Å; A602-R605 PolarHBondContact O-N 2.9Å; A602-N606 PolarHBondContact O-N 3.08Å; A602-N606 PolarHBondContact O-ND2 3.07Å; A602-P633 HydrophobicContact CB-CB 3.99Å; A602-P633 WeakPolarHBondContact CB-O 3.2Å
603L96.2Very high94.9Very high0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-58.5-48.4171.1-70.9167.5000111.1Q546 L547 R599 R600 R605 N606 H607 V631 P633Q546-L603 HydrophobicContact CG-CB 4.44Å; Q546-L603 HydrophobicContact CG-CD2 4.28Å; L547-L603 HydrophobicContact CB-CD2 4.19Å; R599-L603 HydrophobicContact CG-CD1 4.05Å; R599-L603 HydrophobicContact CG-CG 4.49Å; R599-L603 WeakPolarHBondContact O-CG 3.49Å; R599-L603 PolarHBondContact O-N 3.4Å; R600-L603 WeakPolarHBondContact O-CB 3.16Å; R600-L603 PolarHBondContact O-N 3.41Å; L603-R605 VanDerWaalsContact C-N 3.33Å; L603-R605 PolarHBondContact O-N 3.07Å; L603-N606 PolarHBondContact O-N 3.06Å; L603-H607 WeakPolarHBondContact O-CB 3.4Å; L603-H607 PolarHBondContact O-N 2.94Å; L603-V631 HydrophobicContact CD2-CG1 4.3Å; L603-V631 VanDerWaalsContact CD2-O 3.22Å; L603-V631 WeakPolarHBondContact CD2-O 3.4Å; L603-V631 VanDerWaalsContact O-CG1 3.26Å; L603-V631 WeakPolarHBondContact O-CG1 3.18Å; L603-P633 HydrophobicContact CD2-CG 4.07Å; L603-P633 HydrophobicContact CG-CG 4.17Å
604M97.9Very high94.9Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-60.4-39.5178.3-70.5163.767.400113Y493 Y501 F503 R600 T601 H607 T608 T728 H729 V730Y493-M604 HydrophobicContact CD2-CE 3.76Å; Y493-M604 HydrophobicContact CE1-CE 4.27Å; Y493-M604 HydrophobicContact CE2-CE 3.26Å; Y493-M604 HydrophobicContact CG-CE 4.44Å; Y501-M604 HydrophobicContact CD1-CE 3.66Å; Y501-M604 HydrophobicContact CE1-CE 3.44Å; Y501-M604 VanDerWaalsContact CE1-CE 3.44Å; Y501-M604 HydrophobicContact CG-CE 4.39Å; F503-M604 HydrophobicContact CE1-CE 4.28Å; F503-M604 HydrophobicContact CE1-SD 3.69Å; F503-M604 HydrophobicContact CZ-CE 4.28Å; F503-M604 HydrophobicContact CZ-SD 3.55Å; F503-M604 VanDerWaalsContact CZ-SD 3.55Å; R600-M604 HydrophobicContact CG-CG 4.49Å; R600-M604 HydrophobicContact CG-SD 3.72Å; R600-M604 VanDerWaalsContact O-CG 3.25Å; R600-M604 WeakPolarHBondContact O-CG 3.42Å; R600-M604 PolarHBondContact O-N 3.44Å; T601-M604 PolarHBondContact O-N 3.24Å; M604-H607 PolarHBondContact O-N 2.76Å; M604-T608 PolarHBondContact O-N 2.78Å; M604-T608 PolarHBondContact O-OG1 3.42Å; M604-T728 WeakPolarHBondContact CG-OG1 3.47Å; M604-H729 WeakPolarHBondContact CE-O 3.37Å; M604-V730 HydrophobicContact CB-CG1 4.05Å
605R97.4Very high95.1Very high47 Ų4719.5 Ų19.518%0.17711%0.106CC..Hα-helixtrans-63-50.5175.7-74.2179.4178.1136.41.8111.3T601 A602 L603 H607 G609 V730 H735 T758T601-R605 VanDerWaalsContact O-CG 3.32Å; T601-R605 WeakPolarHBondContact O-CG 3.23Å; T601-R605 PolarHBondContact O-N 2.75Å; A602-R605 PolarHBondContact O-N 2.9Å; L603-R605 VanDerWaalsContact C-N 3.33Å; L603-R605 PolarHBondContact O-N 3.07Å; R605-H607 VanDerWaalsContact C-N 3.31Å; R605-H607 PolarHBondContact O-N 3.08Å; R605-G609 PolarHBondContact O-N 2.89Å; R605-V730 HydrophobicContact CG-CG1 3.87Å; R605-H735 WeakPolarHBondContact CD-O 3.42Å; R605-H735 VanDerWaalsContact CG-O 3.28Å; R605-H735 WeakPolarHBondContact CG-O 3.4Å; R605-H735 PolarHBondContact NE-O 3.46Å; R605-T758 WeakPolarHBondContact CB-OG1 3.49Å
606N97.8Very high95.3Very high2 Ų218.6 Ų18.61%0.01110%0.102CC..Hα-helixtrans-65.2-35.2178.3-76.8-34.4000111.4A602 L603 G609 T610 V631 A632 P633 R635 L636 T758A602-N606 PolarHBondContact O-N 3.08Å; A602-N606 PolarHBondContact O-ND2 3.07Å; L603-N606 PolarHBondContact O-N 3.06Å; N606-G609 CarbonylContact O-C 3.57Å; N606-G609 PolarHBondContact O-N 3.31Å; N606-T610 PolarHBondContact O-N 2.99Å; N606-T610 PolarHBondContact O-OG1 3.34Å; N606-V631 HydrophobicContact CB-CG1 3.8Å; N606-A632 PolarHBondContact ND2-O 3.24Å; N606-P633 PolarHBondContact ND2-O 2.79Å; N606-P633 VanDerWaalsContact ND2-O 3.13Å; N606-R635 PolarHBondContact ND2-N 2.72Å; N606-L636 HydrophobicContact CB-CB 4.18Å; N606-L636 WeakPolarHBondContact O-CD2 3.37Å; N606-T758 PolarHBondContact N-OG1 3.47Å; N606-T758 WeakPolarHBondContact OD1-CB 3.4Å; N606-T758 WeakPolarHBondContact OD1-CG2 3.27Å; N606-T758 PolarHBondContact OD1-N 3.01Å; N606-T758 PolarHBondContact OD1-OG1 2.98Å
607H98.1Very high95.6Very high6 Ų615.7 Ų15.73%0.0289%0.086CC..Hα-helixtrans-65.9-53.4178.2-152.9148.3000112Q546 L603 M604 R605 G609 T610 H611 V631 C725 H729Q546-H607 PolarHBondContact OE1-ND1 3.41Å; L603-H607 WeakPolarHBondContact O-CB 3.4Å; L603-H607 PolarHBondContact O-N 2.94Å; M604-H607 PolarHBondContact O-N 2.76Å; R605-H607 VanDerWaalsContact C-N 3.31Å; R605-H607 PolarHBondContact O-N 3.08Å; H607-G609 PolarHBondContact O-N 3.18Å; H607-T610 WeakPolarHBondContact O-CB 3.45Å; H607-T610 PolarHBondContact O-N 2.95Å; H607-T610 VanDerWaalsContact O-N 3.09Å; H607-H611 AromaticContact CD2-CD2 3.87Å; H607-H611 AromaticContact CD2-NE2 3.71Å; H607-H611 AromaticContact NE2-NE2 3.85Å; H607-H611 PolarHBondContact O-CD2 3.41Å; H607-H611 PolarHBondContact O-N 2.81Å; H607-V631 HydrophobicContact CB-CG1 3.93Å; H607-V631 HydrophobicContact CB-CG2 4.4Å; H607-C725 VanDerWaalsContact CE1-SG 3.58Å; H607-C725 PolarHBondContact NE2-SG 2.89Å; H607-H729 AromaticContact CD2-CE1 3.46Å; H607-H729 PolarHBondContact CD2-CE1 3.17Å; H607-H729 VanDerWaalsContact CD2-CE1 3.46Å; H607-H729 AromaticContact CG-CE1 3.71Å; H607-H729 AromaticContact NE2-CE1 3.93Å
608T98.1Very high95.6Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-64.3-32.7175-52.50000110.9M604 T610 H611 V612 V668 I701 H729 V730 I736M604-T608 PolarHBondContact O-N 2.78Å; M604-T608 PolarHBondContact O-OG1 3.42Å; T608-T610 VanDerWaalsContact C-N 3.31Å; T608-T610 PolarHBondContact O-N 3.06Å; T608-H611 WeakPolarHBondContact O-CB 3.34Å; T608-H611 PolarHBondContact O-N 3.06Å; T608-V612 WeakPolarHBondContact O-CG2 3.25Å; T608-V612 PolarHBondContact O-N 3.2Å; T608-V668 HydrophobicContact CG2-CG2 4.02Å; T608-I701 HydrophobicContact CG2-CD1 3.87Å; T608-H729 WeakPolarHBondContact OG1-CB 3.09Å; T608-H729 PolarHBondContact OG1-ND1 2.99Å; T608-V730 HydrophobicContact CG2-CG2 3.78Å; T608-V730 WeakPolarHBondContact OG1-CG2 3.37Å; T608-V730 PolarHBondContact OG1-N 3.05Å; T608-V730 VanDerWaalsContact OG1-N 3.14Å; T608-I736 HydrophobicContact CG2-CD1 3.62Å; T608-I736 HydrophobicContact CG2-CG1 4.18Å
609G98Very high95.7Very high0 Ų018 Ų180%08%0.08CC..Hα-helixtrans-58-41.1170.900000112.7R605 N606 H607 H611 V612 L613 L739R605-G609 PolarHBondContact O-N 2.89Å; N606-G609 CarbonylContact O-C 3.57Å; N606-G609 PolarHBondContact O-N 3.31Å; H607-G609 PolarHBondContact O-N 3.18Å; G609-H611 VanDerWaalsContact C-N 3.34Å; G609-H611 PolarHBondContact O-N 2.93Å; G609-V612 PolarHBondContact O-N 2.79Å; G609-L613 WeakPolarHBondContact O-CB 3.27Å; G609-L613 PolarHBondContact O-N 3.4Å; G609-L739 WeakPolarHBondContact O-CD1 3.36Å
610T97.8Very high95.8Very high3 Ų318.5 Ų18.52%0.0189%0.085CC..Hα-helixtrans-61.2-42.1174.5-61.40000111.4N606 H607 T608 L613 N614 F638N606-T610 PolarHBondContact O-N 2.99Å; N606-T610 PolarHBondContact O-OG1 3.34Å; H607-T610 WeakPolarHBondContact O-CB 3.45Å; H607-T610 PolarHBondContact O-N 2.95Å; H607-T610 VanDerWaalsContact O-N 3.09Å; T608-T610 VanDerWaalsContact C-N 3.31Å; T608-T610 PolarHBondContact O-N 3.06Å; T610-L613 PolarHBondContact O-N 3.39Å; T610-N614 VanDerWaalsContact O-CB 3.27Å; T610-N614 WeakPolarHBondContact O-CB 3.23Å; T610-N614 PolarHBondContact O-N 3.17Å; T610-F638 HydrophobicContact CG2-CD2 3.5Å; T610-F638 HydrophobicContact CG2-CE2 3.91Å; T610-F638 HydrophobicContact CG2-CG 4.48Å
611H97Very high95.6Very high7 Ų719.3 Ų19.33%0.0329%0.09CC..Hα-helixtrans-64.7-41.9177.1-77.2-136.8000112.2H607 T608 G609 N614 F615 I701 S721 E723 H729H607-H611 AromaticContact CD2-CD2 3.87Å; H607-H611 AromaticContact CD2-NE2 3.71Å; H607-H611 AromaticContact NE2-NE2 3.85Å; H607-H611 PolarHBondContact O-CD2 3.41Å; H607-H611 PolarHBondContact O-N 2.81Å; T608-H611 WeakPolarHBondContact O-CB 3.34Å; T608-H611 PolarHBondContact O-N 3.06Å; G609-H611 VanDerWaalsContact C-N 3.34Å; G609-H611 PolarHBondContact O-N 2.93Å; H611-N614 PolarHBondContact O-N 3.47Å; H611-F615 PolarHBondContact O-N 3.47Å; H611-I701 HydrophobicContact CB-CD1 4.14Å; H611-S721 WeakPolarHBondContact CB-OG 3.38Å; H611-E723 WeakPolarHBondContact CA-OE1 3.37Å; H611-E723 IonicContact CG-OE1 2.68Å; H611-E723 IonicContact ND1-OE1 3.63Å; H611-H729 AromaticContact CD2-CE1 3.83Å; H611-H729 AromaticContact CE1-CE1 3.46Å; H611-H729 PolarHBondContact CE1-CE1 2.96Å; H611-H729 VanDerWaalsContact CE1-CE1 3.46Å; H611-H729 AromaticContact CE1-NE2 3.9Å; H611-H729 AromaticContact ND1-CE1 4Å; H611-H729 AromaticContact NE2-CE1 3.31Å; H611-H729 PolarHBondContact NE2-CE1 3.2Å; H611-H729 VanDerWaalsContact NE2-CE1 3.31Å; H611-H729 AromaticContact NE2-NE2 3.95Å
612V97.6Very high94.9Very high1 Ų125.6 Ų25.61%0.00612%0.123CC..Hα-helixtrans-64.7-42.3175.8172.70000110.9T608 G609 F615 A616 C658 M661 I701 I736T608-V612 WeakPolarHBondContact O-CG2 3.25Å; T608-V612 PolarHBondContact O-N 3.2Å; G609-V612 PolarHBondContact O-N 2.79Å; V612-F615 WeakPolarHBondContact O-CB 3.18Å; V612-F615 PolarHBondContact O-N 2.94Å; V612-A616 PolarHBondContact O-N 2.98Å; V612-C658 HydrophobicContact CG1-CB 3.77Å; V612-M661 HydrophobicContact CB-SD 4.34Å; V612-M661 HydrophobicContact CG1-CB 4.09Å; V612-M661 HydrophobicContact CG1-CG 4.37Å; V612-M661 HydrophobicContact CG1-SD 4.05Å; V612-M661 HydrophobicContact CG2-CE 4.2Å; V612-M661 HydrophobicContact CG2-CG 4.3Å; V612-M661 HydrophobicContact CG2-SD 3.96Å; V612-I701 HydrophobicContact CG2-CD1 3.84Å; V612-I736 HydrophobicContact CG2-CD1 3.8Å
613L97.5Very high94.3Very high0 Ų030.4 Ų30.40%014%0.142CC..Hα-helixtrans-65.2-43.8175.3179.163.9000111.9G609 T610 F615 A616 L617 L636 F638 L739 I741 I754G609-L613 WeakPolarHBondContact O-CB 3.27Å; G609-L613 PolarHBondContact O-N 3.4Å; T610-L613 PolarHBondContact O-N 3.39Å; L613-F615 VanDerWaalsContact C-N 3.27Å; L613-F615 PolarHBondContact O-N 3.41Å; L613-A616 PolarHBondContact O-N 3.45Å; L613-A616 VanDerWaalsContact O-N 3.13Å; L613-L617 HydrophobicContact CD1-CD1 4.23Å; L613-L617 HydrophobicContact CD1-CG 4.11Å; L613-L617 HydrophobicContact CG-CD1 3.96Å; L613-L617 HydrophobicContact CG-CG 4.28Å; L613-L617 VanDerWaalsContact O-CG 3.31Å; L613-L617 WeakPolarHBondContact O-CG 3.35Å; L613-L617 PolarHBondContact O-N 2.8Å; L613-L636 HydrophobicContact CD2-CD1 3.79Å; L613-F638 HydrophobicContact CD2-CB 4.06Å; L613-L739 HydrophobicContact CB-CD1 4.28Å; L613-I741 HydrophobicContact CD1-CD1 3.9Å; L613-I741 HydrophobicContact CD1-CG1 4.38Å; L613-I754 HydrophobicContact CD1-CD1 4.5Å; L613-I754 HydrophobicContact CD2-CB 4.31Å; L613-I754 HydrophobicContact CD2-CG2 3.62Å
614N96Very high93.9Very high5 Ų530.6 Ų30.63%0.02714%0.144CC..Hα-helixtrans-60.1-39.5176.7-169.59.6000111.2T610 H611 R618 F638 R685 E723T610-N614 VanDerWaalsContact O-CB 3.27Å; T610-N614 WeakPolarHBondContact O-CB 3.23Å; T610-N614 PolarHBondContact O-N 3.17Å; H611-N614 PolarHBondContact O-N 3.47Å; N614-R618 WeakPolarHBondContact O-CG 3.38Å; N614-R618 PolarHBondContact O-N 3.39Å; N614-F638 HydrophobicContact CB-CE1 4.39Å; N614-F638 HydrophobicContact CB-CE2 4.07Å; N614-F638 HydrophobicContact CB-CZ 3.72Å; N614-F638 VanDerWaalsContact CG-CZ 3.43Å; N614-F638 WeakPolarHBondContact OD1-CZ 3.36Å; N614-R685 WeakPolarHBondContact ND2-CD 3.43Å; N614-E723 PolarHBondContact ND2-OE2 3.45Å
615F95.2Very high93.4Very high13 Ų1335.1 Ų35.16%0.05717%0.165CC..Hα-helixtrans-60-52.6170.5176.3-93.8000111.7H611 V612 L613 L617 R618 E619 I657 M661 R685 T719 T720H611-F615 PolarHBondContact O-N 3.47Å; V612-F615 WeakPolarHBondContact O-CB 3.18Å; V612-F615 PolarHBondContact O-N 2.94Å; L613-F615 VanDerWaalsContact C-N 3.27Å; L613-F615 PolarHBondContact O-N 3.41Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 3.37Å; F615-R618 PolarHBondContact O-N 3.14Å; F615-E619 HydrophobicContact CE1-CG 4.11Å; F615-E619 VanDerWaalsContact CE1-OE2 3.25Å; F615-E619 WeakPolarHBondContact CE1-OE2 3.4Å; F615-E619 HydrophobicContact CZ-CG 4.01Å; F615-E619 PolarHBondContact O-N 3.31Å; F615-I657 HydrophobicContact CD1-CG2 4.1Å; F615-I657 HydrophobicContact CE1-CG2 4.03Å; F615-M661 HydrophobicContact CB-SD 4.47Å; F615-M661 HydrophobicContact CD1-SD 3.94Å; F615-M661 HydrophobicContact CG-SD 4.27Å; F615-R685 VanDerWaalsContact CD2-NH2 3.29Å; F615-T719 WeakPolarHBondContact CZ-O 3.41Å; F615-T720 WeakPolarHBondContact CD2-O 3.48Å; F615-T720 VanDerWaalsContact CE2-N 3.34Å
616A96.1Very high93Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-60.1-38.7-178.800000113.4V612 L613 E619 L620 I657V612-A616 PolarHBondContact O-N 2.98Å; L613-A616 PolarHBondContact O-N 3.45Å; L613-A616 VanDerWaalsContact O-N 3.13Å; A616-E619 PolarHBondContact O-N 2.92Å; A616-L620 WeakPolarHBondContact O-CG 3.44Å; A616-L620 PolarHBondContact O-N 3.06Å; A616-I657 HydrophobicContact CB-CB 3.88Å; A616-I657 HydrophobicContact CB-CG2 3.66Å
617L95.4Very high92.5Very high0 Ų039 Ų390%018%0.184CC..Hα-helixtrans-67.1-37.9178.8-69.2172.3000112.3L613 F615 E619 L620 V621 F638 F640 M646 I754L613-L617 HydrophobicContact CD1-CD1 4.23Å; L613-L617 HydrophobicContact CD1-CG 4.11Å; L613-L617 HydrophobicContact CG-CD1 3.96Å; L613-L617 HydrophobicContact CG-CG 4.28Å; L613-L617 VanDerWaalsContact O-CG 3.31Å; L613-L617 WeakPolarHBondContact O-CG 3.35Å; L613-L617 PolarHBondContact O-N 2.8Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 3.37Å; L617-E619 PolarHBondContact O-N 2.74Å; L617-L620 PolarHBondContact O-N 3.09Å; L617-L620 VanDerWaalsContact O-N 3.15Å; L617-V621 WeakPolarHBondContact O-CB 3.48Å; L617-V621 PolarHBondContact O-N 3.34Å; L617-F638 HydrophobicContact CD1-CD1 3.49Å; L617-F638 VanDerWaalsContact CD1-CD1 3.49Å; L617-F638 HydrophobicContact CD1-CE1 3.59Å; L617-F640 HydrophobicContact CD1-CD1 4.01Å; L617-F640 HydrophobicContact CD1-CD2 4.35Å; L617-F640 HydrophobicContact CD1-CE1 4.21Å; L617-F640 HydrophobicContact CD1-CE2 4.5Å; L617-F640 HydrophobicContact CD1-CG 4.11Å; L617-F640 HydrophobicContact CD1-CZ 4.43Å; L617-F640 HydrophobicContact CD2-CE2 4.22Å; L617-F640 HydrophobicContact CD2-CZ 4.13Å; L617-M646 HydrophobicContact CD2-CE 3.85Å; L617-M646 HydrophobicContact CD2-SD 3.63Å; L617-I754 HydrophobicContact CD1-CD1 4.04Å; L617-I754 HydrophobicContact CD2-CD1 3.65Å; L617-I754 HydrophobicContact CG-CD1 4.4Å
618R91.1Very high92Very high115 Ų11539.6 Ų39.643%0.43419%0.191SC..Hα-helixtrans-67.6-23.7175.2-70.9-174.582.5-170.68.4113.4N614 F615 S624 G683 R685N614-R618 WeakPolarHBondContact O-CG 3.38Å; N614-R618 PolarHBondContact O-N 3.39Å; F615-R618 PolarHBondContact O-N 3.14Å; R618-S624 WeakPolarHBondContact CG-O 3.32Å; R618-G683 PolarHBondContact NH1-O 3.43Å; R618-R685 VanDerWaalsContact CD-NE 3.35Å
619E91.3Very high91.7Very high111 Ų11140.4 Ų40.452%0.51920%0.197SC..Hα-helixtrans-77.8-21.8173.4-68.2-160.4118.100113F615 A616 L617 I657F615-E619 HydrophobicContact CE1-CG 4.11Å; F615-E619 VanDerWaalsContact CE1-OE2 3.25Å; F615-E619 WeakPolarHBondContact CE1-OE2 3.4Å; F615-E619 HydrophobicContact CZ-CG 4.01Å; F615-E619 PolarHBondContact O-N 3.31Å; A616-E619 PolarHBondContact O-N 2.92Å; L617-E619 PolarHBondContact O-N 2.74Å; E619-I657 HydrophobicContact CB-CD1 4.14Å; E619-I657 VanDerWaalsContact OE2-CG2 3.27Å; E619-I657 WeakPolarHBondContact OE2-CG2 3.37Å
620L93.2Very high91.3Very high44 Ų4442 Ų4223%0.2321%0.205CC..Hα-helixtrans-113.7-25.9-171-65.4175.2000114.7A616 L617 M646 K653 A654 I657A616-L620 WeakPolarHBondContact O-CG 3.44Å; A616-L620 PolarHBondContact O-N 3.06Å; L617-L620 PolarHBondContact O-N 3.09Å; L617-L620 VanDerWaalsContact O-N 3.15Å; L620-M646 HydrophobicContact CD1-CE 4.43Å; L620-K653 HydrophobicContact CD1-CB 4.07Å; L620-K653 HydrophobicContact CD1-CG 4.16Å; L620-K653 HydrophobicContact CD2-CB 4.18Å; L620-K653 HydrophobicContact CD2-CG 3.63Å; L620-A654 VanDerWaalsContact CD1-CA 3.47Å; L620-A654 HydrophobicContact CD1-CB 3.65Å; L620-A654 VanDerWaalsContact CD1-N 3.34Å; L620-I657 HydrophobicContact CD1-CD1 3.86Å; L620-I657 HydrophobicContact CD2-CD1 4Å; L620-I657 HydrophobicContact CG-CD1 3.81Å
621V88.9Confident91.2Very high18 Ų1841.9 Ų41.911%0.10920%0.204CC..SBendtrans-124114.2-173.5-176.80000108.1L617 E623 S624 F640 A642 M646L617-V621 WeakPolarHBondContact O-CB 3.48Å; L617-V621 PolarHBondContact O-N 3.34Å; V621-E623 PolarHBondContact O-N 3.41Å; V621-S624 WeakPolarHBondContact O-CB 3.42Å; V621-S624 PolarHBondContact O-N 2.98Å; V621-F640 HydrophobicContact CG1-CE2 4.37Å; V621-F640 HydrophobicContact CG2-CE2 4.31Å; V621-A642 HydrophobicContact CG1-CB 3.75Å; V621-M646 HydrophobicContact CG2-CE 4.16Å; V621-M646 HydrophobicContact CG2-CG 4.28Å; V621-M646 HydrophobicContact CG2-SD 4.26Å
622D81.3Confident90.7Very high148 Ų14841.8 Ų41.879%0.79120%0.204SC*.THydrogen-bonded Turntrans-54.6133.4174.4-63.9-34.5000110.1S624D622-S624 PolarHBondContact O-N 2.9Å
623E78.6Confident90Very high118 Ų11843.3 Ų43.355%0.55122%0.215SC*.THydrogen-bonded Turntrans58.631178.1-57.4171.6177.500114.5V621 E625 T641V621-E623 PolarHBondContact O-N 3.41Å; E623-E625 PolarHBondContact O-N 3.19Å; E623-E625 VanDerWaalsContact O-N 3.1Å; E623-T641 PolarHBondContact O-OG1 3.07Å
624S87.8Confident89.3Confident4 Ų446.6 Ų46.63%0.02823%0.232CC..  trans-64.8109.9170.8-169.50000111.1R618 V621 D622 F640R618-S624 WeakPolarHBondContact CG-O 3.32Å; V621-S624 WeakPolarHBondContact O-CB 3.42Å; V621-S624 PolarHBondContact O-N 2.98Å; D622-S624 PolarHBondContact O-N 2.9Å; S624-F640 WeakPolarHBondContact OG-CD2 3.44Å
625E87.6Confident89Confident95 Ų9551.2 Ų51.244%0.44425%0.249SC..  trans-123.4139.3173-63.5-169.4152.200110.3E623 K627 F640 T641E623-E625 PolarHBondContact O-N 3.19Å; E623-E625 VanDerWaalsContact O-N 3.1Å; E625-K627 PolarHBondContact O-N 3.34Å; E625-K627 IonicContact OE2-NZ 2.77Å; E625-K627 PolarHBondContact OE2-NZ 3.36Å; E625-F640 CarbonylContact O-C 3.47Å; E625-F640 WeakPolarHBondContact O-CA 3.44Å; E625-T641 WeakPolarHBondContact CB-OG1 3.35Å; E625-T641 PolarHBondContact N-OG1 3.43Å; E625-T641 PolarHBondContact O-N 3.42Å; E625-T641 PolarHBondContact O-OG1 3.09Å
626Q89.7Confident89.1Confident40 Ų4050.6 Ų50.619%0.18725%0.246CC..EExtended strand (participates in β ladder)trans-61.9126.7172.8-178.2177-36.900110.8F638 V687Q626-F638 HydrophobicContact CB-CE2 3.95Å; Q626-F638 HydrophobicContact CB-CZ 3.79Å; Q626-F638 HydrophobicContact CG-CD2 4.47Å; Q626-F638 HydrophobicContact CG-CE2 3.72Å; Q626-F638 HydrophobicContact CG-CZ 4.08Å; Q626-V687 HydrophobicContact CG-CG2 4.41Å
627K87.2Confident89Confident92 Ų9253.8 Ų53.840%0.426%0.258SS..EExtended strand (participates in β ladder)trans-111.8-11171.4-60.6-57.4171.5-161.30113E625 D639 T641 V751E625-K627 PolarHBondContact O-N 3.34Å; E625-K627 IonicContact OE2-NZ 2.77Å; E625-K627 PolarHBondContact OE2-NZ 3.36Å; K627-D639 PolarHBondContact N-O 3.25Å; K627-T641 HydrophobicContact CD-CG2 4.18Å; K627-T641 HydrophobicContact CG-CG2 3.99Å; K627-V751 HydrophobicContact CB-CG1 4.19Å; K627-V751 HydrophobicContact CG-CG1 4.39Å; K627-V751 HydrophobicContact CG-CG2 4.43Å
628G86.2Confident89.1Confident17 Ų1753.8 Ų53.818%0.17526%0.258CS..EExtended strand (participates in β ladder)trans-178.2152.6176.300000111.4D639G628-D639 PolarHBondContact N-O 2.83Å; G628-D639 PolarHBondContact O-N 2.85Å
629S91.5Very high89.2Confident17 Ų1748.9 Ų48.912%0.11924%0.241CC..EExtended strand (participates in β ladder)trans-139.7149.8176.1-176.50000109.6R637S629-R637 CarbonylContact C-O 3.59Å; S629-R637 WeakPolarHBondContact CA-O 3.44Å; S629-R637 PolarHBondContact O-NH2 3.25Å
630L90.4Very high89.3Confident35 Ų3543.6 Ų43.618%0.18322%0.216CC..EExtended strand (participates in β ladder)trans-141.6122.7163166.674.4000107.3G545 L547 L636 R637G545-L630 CarbonylContact O-C 3.44Å; G545-L630 VanDerWaalsContact O-CA 3.31Å; G545-L630 WeakPolarHBondContact O-CA 3.42Å; L547-L630 HydrophobicContact CD1-CD1 4.3Å; L547-L630 HydrophobicContact CD2-CD1 3.7Å; L547-L630 HydrophobicContact CG-CD1 3.88Å; L630-L636 CarbonylContact O-C 3.45Å; L630-L636 WeakPolarHBondContact O-CA 3.49Å; L630-R637 HydrophobicContact CB-CB 4.12Å; L630-R637 PolarHBondContact N-O 2.93Å; L630-R637 PolarHBondContact O-N 3.48Å
631V96.1Very high89.1Confident0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-113.2100.1175172.80000106.5G545 Q546 L547 L603 N606 H607G545-V631 PolarHBondContact O-N 2.98Å; Q546-V631 HydrophobicContact CB-CB 4.2Å; Q546-V631 HydrophobicContact CB-CG1 4.44Å; Q546-V631 HydrophobicContact CG-CG1 4.34Å; L547-V631 PolarHBondContact N-O 3.05Å; L547-V631 VanDerWaalsContact N-O 3.08Å; L603-V631 HydrophobicContact CD2-CG1 4.3Å; L603-V631 VanDerWaalsContact CD2-O 3.22Å; L603-V631 WeakPolarHBondContact CD2-O 3.4Å; L603-V631 VanDerWaalsContact O-CG1 3.26Å; L603-V631 WeakPolarHBondContact O-CG1 3.18Å; N606-V631 HydrophobicContact CB-CG1 3.8Å; H607-V631 HydrophobicContact CB-CG1 3.93Å; H607-V631 HydrophobicContact CB-CG2 4.4Å
632A86.1Confident89Confident4 Ų441.9 Ų41.93%0.03321%0.209CC..  trans-103.5167.2173.900000109.7L547 N606 D634 R635L547-A632 HydrophobicContact CD1-CB 3.79Å; N606-A632 PolarHBondContact ND2-O 3.24Å; A632-D634 VanDerWaalsContact C-N 3.3Å; A632-D634 WeakPolarHBondContact CB-OD1 3.41Å; A632-D634 PolarHBondContact O-N 3.3Å; A632-R635 CarbonylContact C-O 3.47Å; A632-R635 HydrophobicContact CB-CG 4.46Å; A632-R635 PolarHBondContact N-O 3.26Å
633P83.4Confident89.2Confident34 Ų3441.6 Ų41.622%0.22120%0.2CC..SBendtrans-65.2-33.1178.6-21.833.8000113.2R599 A602 L603 N606R599-P633 HydrophobicContact CG-CB 4.35Å; R599-P633 HydrophobicContact CG-CG 3.68Å; A602-P633 HydrophobicContact CB-CB 3.99Å; A602-P633 WeakPolarHBondContact CB-O 3.2Å; L603-P633 HydrophobicContact CD2-CG 4.07Å; L603-P633 HydrophobicContact CG-CG 4.17Å; N606-P633 PolarHBondContact ND2-O 2.79Å; N606-P633 VanDerWaalsContact ND2-O 3.13Å
634D81.6Confident89.7Confident69 Ų6942.4 Ų42.437%0.36920%0.198SC..SBendtrans-92.1-19.3-174.364.7-46.5000113.7A632 L757A632-D634 VanDerWaalsContact C-N 3.3Å; A632-D634 WeakPolarHBondContact CB-OD1 3.41Å; A632-D634 PolarHBondContact O-N 3.3Å; D634-L757 WeakPolarHBondContact O-CD2 3.35Å
635R89.9Confident89.9Confident101 Ų10143.3 Ų43.338%0.38121%0.209SC..  trans-162.4162.9-176.864.9-173.5-177.7-96.40.3112.9N606 A632 I755 L757N606-R635 PolarHBondContact ND2-N 2.72Å; A632-R635 CarbonylContact C-O 3.47Å; A632-R635 HydrophobicContact CB-CG 4.46Å; A632-R635 PolarHBondContact N-O 3.26Å; R635-I755 HydrophobicContact CB-CG2 4.38Å; R635-L757 HydrophobicContact CB-CD2 3.79Å
636L97.1Very high90.2Very high0 Ų039.6 Ų39.60%019%0.191CC..EExtended strand (participates in β ladder)trans-111.6149.8160.57089.8000110.9N606 L613 L630 F638 I755 A756 T758N606-L636 HydrophobicContact CB-CB 4.18Å; N606-L636 WeakPolarHBondContact O-CD2 3.37Å; L613-L636 HydrophobicContact CD2-CD1 3.79Å; L630-L636 CarbonylContact O-C 3.45Å; L630-L636 WeakPolarHBondContact O-CA 3.49Å; L636-F638 HydrophobicContact CD1-CB 4.45Å; L636-I755 WeakPolarHBondContact O-CA 3.32Å; L636-A756 HydrophobicContact CD1-CB 3.81Å; L636-A756 HydrophobicContact CD2-CB 4.33Å; L636-A756 HydrophobicContact CG-CB 3.93Å; L636-A756 PolarHBondContact N-O 3.23Å; L636-A756 PolarHBondContact O-N 3.21Å; L636-T758 HydrophobicContact CD2-CG2 4.09Å
637R95.4Very high90.4Very high67 Ų6740.8 Ų40.825%0.25320%0.202SC..EExtended strand (participates in β ladder)trans-128.4126.9171.8177.6-158.183.3-172.8-6.4108.3S629 L630 D639 R753 I754 I755S629-R637 CarbonylContact C-O 3.59Å; S629-R637 WeakPolarHBondContact CA-O 3.44Å; S629-R637 PolarHBondContact O-NH2 3.25Å; L630-R637 HydrophobicContact CB-CB 4.12Å; L630-R637 PolarHBondContact N-O 2.93Å; L630-R637 PolarHBondContact O-N 3.48Å; R637-D639 IonicContact NE-OD1 2.64Å; R637-D639 IonicContact NE-OD2 2.86Å; R637-R753 HydrophobicContact CG-CG 3.8Å; R637-I754 CarbonylContact C-O 3.49Å; R637-I754 VanDerWaalsContact CA-O 3.28Å; R637-I754 WeakPolarHBondContact CA-O 3.5Å; R637-I755 HydrophobicContact CG-CG1 4.38Å
638F95.8Very high90.8Very high0 Ų040.3 Ų40.30%020%0.197CC..EExtended strand (participates in β ladder)trans-126.5117.9-177.8-168.7-104.3000110T610 L613 N614 L617 Q626 L636 F640 R753 I754T610-F638 HydrophobicContact CG2-CD2 3.5Å; T610-F638 HydrophobicContact CG2-CE2 3.91Å; T610-F638 HydrophobicContact CG2-CG 4.48Å; L613-F638 HydrophobicContact CD2-CB 4.06Å; N614-F638 HydrophobicContact CB-CE1 4.39Å; N614-F638 HydrophobicContact CB-CE2 4.07Å; N614-F638 HydrophobicContact CB-CZ 3.72Å; N614-F638 VanDerWaalsContact CG-CZ 3.43Å; N614-F638 WeakPolarHBondContact OD1-CZ 3.36Å; L617-F638 HydrophobicContact CD1-CD1 3.49Å; L617-F638 VanDerWaalsContact CD1-CD1 3.49Å; L617-F638 HydrophobicContact CD1-CE1 3.59Å; Q626-F638 HydrophobicContact CB-CE2 3.95Å; Q626-F638 HydrophobicContact CB-CZ 3.79Å; Q626-F638 HydrophobicContact CG-CD2 4.47Å; Q626-F638 HydrophobicContact CG-CE2 3.72Å; Q626-F638 HydrophobicContact CG-CZ 4.08Å; L636-F638 HydrophobicContact CD1-CB 4.45Å; F638-F640 HydrophobicContact CD1-CB 4.05Å; F638-F640 HydrophobicContact CD1-CD1 4.08Å; F638-F640 HydrophobicContact CD1-CG 4.37Å; F638-F640 HydrophobicContact CE1-CB 3.72Å; F638-F640 HydrophobicContact CE1-CG 4.35Å; F638-R753 CarbonylContact O-C 3.56Å; F638-R753 WeakPolarHBondContact O-CA 3.28Å; F638-I754 PolarHBondContact N-O 3.28Å; F638-I754 PolarHBondContact O-N 3.03Å
639D93.8Very high91.2Very high13 Ų1344.9 Ų44.97%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-101.1128.8177.4-58.1-13.5000108.1K627 G628 R637 I747 V751 R752 R753K627-D639 PolarHBondContact N-O 3.25Å; G628-D639 PolarHBondContact N-O 2.83Å; G628-D639 PolarHBondContact O-N 2.85Å; R637-D639 IonicContact NE-OD1 2.64Å; R637-D639 IonicContact NE-OD2 2.86Å; D639-I747 HydrophobicContact CB-CD1 3.89Å; D639-I747 WeakPolarHBondContact OD1-CD1 3.36Å; D639-I747 WeakPolarHBondContact OD2-CD1 3.44Å; D639-V751 HydrophobicContact CB-CG1 4.47Å; D639-R752 CarbonylContact C-O 3.45Å; D639-R752 VanDerWaalsContact CA-O 3.28Å; D639-R752 WeakPolarHBondContact CA-O 3.31Å; D639-R753 WeakPolarHBondContact OD1-CG 3.24Å; D639-R753 IonicContact OD1-CZ 3.92Å; D639-R753 IonicContact OD1-NE 2.67Å; D639-R753 PolarHBondContact OD1-NE 3.41Å; D639-R753 IonicContact OD1-NH2 3.57Å; D639-R753 PolarHBondContact OD1-NH2 3.05Å; D639-R753 IonicContact OD2-CZ 2.86Å; D639-R753 IonicContact OD2-NE 3.17Å; D639-R753 IonicContact OD2-NH2 3.99Å; D639-R753 PolarHBondContact OD2-NH2 3.46Å
640F92.7Very high91.4Very high0 Ų045.8 Ų45.80%022%0.22CC..EExtended strand (participates in β ladder)trans-142.5157.7-173.766.6-74.6000112.5L617 V621 S624 E625 F638 A642 M646 V751 R752 I754L617-F640 HydrophobicContact CD1-CD1 4.01Å; L617-F640 HydrophobicContact CD1-CD2 4.35Å; L617-F640 HydrophobicContact CD1-CE1 4.21Å; L617-F640 HydrophobicContact CD1-CE2 4.5Å; L617-F640 HydrophobicContact CD1-CG 4.11Å; L617-F640 HydrophobicContact CD1-CZ 4.43Å; L617-F640 HydrophobicContact CD2-CE2 4.22Å; L617-F640 HydrophobicContact CD2-CZ 4.13Å; V621-F640 HydrophobicContact CG1-CE2 4.37Å; V621-F640 HydrophobicContact CG2-CE2 4.31Å; S624-F640 WeakPolarHBondContact OG-CD2 3.44Å; E625-F640 CarbonylContact O-C 3.47Å; E625-F640 WeakPolarHBondContact O-CA 3.44Å; F638-F640 HydrophobicContact CD1-CB 4.05Å; F638-F640 HydrophobicContact CD1-CD1 4.08Å; F638-F640 HydrophobicContact CD1-CG 4.37Å; F638-F640 HydrophobicContact CE1-CB 3.72Å; F638-F640 HydrophobicContact CE1-CG 4.35Å; F640-A642 HydrophobicContact CD2-CB 4.11Å; F640-A642 HydrophobicContact CE2-CB 3.71Å; F640-M646 HydrophobicContact CE2-SD 4.48Å; F640-M646 HydrophobicContact CZ-SD 3.96Å; F640-V751 WeakPolarHBondContact O-CA 3.41Å; F640-R752 HydrophobicContact CD1-CB 4.48Å; F640-R752 WeakPolarHBondContact CD1-O 3.23Å; F640-R752 HydrophobicContact CE1-CB 3.93Å; F640-R752 HydrophobicContact CE2-CB 4.48Å; F640-R752 HydrophobicContact CZ-CB 3.94Å; F640-R752 PolarHBondContact N-O 2.84Å; F640-R752 PolarHBondContact O-N 3.26Å; F640-I754 HydrophobicContact CE1-CB 4.49Å; F640-I754 HydrophobicContact CE1-CD1 3.65Å; F640-I754 HydrophobicContact CE1-CG1 3.86Å; F640-I754 HydrophobicContact CZ-CD1 3.94Å; F640-I754 HydrophobicContact CZ-CG1 4.46Å
641T90Very high91.7Very high19 Ų1944.2 Ų44.212%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-72.4130.817136.10000111.6E623 E625 K627 G750E623-T641 PolarHBondContact O-OG1 3.07Å; E625-T641 WeakPolarHBondContact CB-OG1 3.35Å; E625-T641 PolarHBondContact N-OG1 3.43Å; E625-T641 PolarHBondContact O-N 3.42Å; E625-T641 PolarHBondContact O-OG1 3.09Å; K627-T641 HydrophobicContact CD-CG2 4.18Å; K627-T641 HydrophobicContact CG-CG2 3.99Å; T641-G750 WeakPolarHBondContact CA-O 3.27Å
642A87.5Confident91.8Very high7 Ų745.7 Ų45.76%0.05822%0.224CC..  trans-157.4134.2170.300000110.3V621 F640 R644 G750 R752V621-A642 HydrophobicContact CG1-CB 3.75Å; F640-A642 HydrophobicContact CD2-CB 4.11Å; F640-A642 HydrophobicContact CE2-CB 3.71Å; A642-R644 VanDerWaalsContact C-N 3.33Å; A642-R644 PolarHBondContact O-N 3.18Å; A642-G750 PolarHBondContact N-O 3.3Å; A642-G750 CarbonylContact O-C 3.6Å; A642-G750 WeakPolarHBondContact O-CA 3.41Å; A642-R752 HydrophobicContact CB-CB 4.46Å; A642-R752 HydrophobicContact CB-CG 3.92Å
643K84.8Confident92.3Very high142 Ų14249.3 Ų49.362%0.61724%0.239SC*.SBendtrans-66.1-33.4180-62-167.5179.4-163.70112.6E373E373-K643 IonicContact OE2-NZ 2.91Å; E373-K643 PolarHBondContact OE2-NZ 3.32Å
644R89.7Confident93Very high134 Ų13447.7 Ų47.751%0.50623%0.228SC..SBendtrans-138.8171.2-179.764.8164.5175.579.90.9112.4A642 E650 R752A642-R644 VanDerWaalsContact C-N 3.33Å; A642-R644 PolarHBondContact O-N 3.18Å; R644-E650 IonicContact CZ-OE1 3.34Å; R644-E650 IonicContact CZ-OE2 3.46Å; R644-E650 IonicContact NH1-OE1 3.78Å; R644-E650 PolarHBondContact NH1-OE1 3.4Å; R644-E650 IonicContact NH1-OE2 3.24Å; R644-E650 PolarHBondContact NH1-OE2 2.79Å; R644-E650 IonicContact NH2-OE1 3Å; R644-E650 PolarHBondContact NH2-OE1 2.95Å; R644-E650 IonicContact NH2-OE2 2.73Å; R644-R752 WeakPolarHBondContact O-CD 3.09Å
645G91Very high93.8Very high24 Ų2445.5 Ų45.525%0.24722%0.216CC..PPolyproline II helixtrans-65.6146.3171.100000112.5R752G645-R752 VanDerWaalsContact CA-NH1 3.26Å
646M94.1Very high94.1Very high16 Ų1645.4 Ų45.48%0.07922%0.219CC..PPolyproline II helixtrans-70.2133.8172.5-64.8-176.874.700108.1L617 L620 V621 F640 E650 L651 A654 E744 I754L617-M646 HydrophobicContact CD2-CE 3.85Å; L617-M646 HydrophobicContact CD2-SD 3.63Å; L620-M646 HydrophobicContact CD1-CE 4.43Å; V621-M646 HydrophobicContact CG2-CE 4.16Å; V621-M646 HydrophobicContact CG2-CG 4.28Å; V621-M646 HydrophobicContact CG2-SD 4.26Å; F640-M646 HydrophobicContact CE2-SD 4.48Å; F640-M646 HydrophobicContact CZ-SD 3.96Å; M646-E650 WeakPolarHBondContact CA-OE2 3.41Å; M646-E650 HydrophobicContact CB-CB 4.26Å; M646-E650 HydrophobicContact CE-CB 3.96Å; M646-L651 HydrophobicContact CB-CD2 3.86Å; M646-L651 HydrophobicContact CB-CG 3.9Å; M646-L651 HydrophobicContact CE-CD2 4.34Å; M646-L651 HydrophobicContact SD-CD2 3.95Å; M646-A654 HydrophobicContact CE-CB 4.14Å; M646-E744 HydrophobicContact CB-CG 4.32Å; M646-E744 HydrophobicContact CG-CG 4.37Å; M646-E744 PolarHBondContact N-OE2 3.26Å; M646-E744 VanDerWaalsContact N-OE2 3.16Å; M646-E744 HydrophobicContact SD-CG 4.45Å; M646-I754 HydrophobicContact SD-CD1 3.99Å
647T94.6Very high94.1Very high66 Ų6646.3 Ų46.341%0.40522%0.224SC..PPolyproline II helixtrans-69.9161.2172.761.80000109.5D649 E650 L651T647-D649 PolarHBondContact O-N 3.5Å; T647-E650 WeakPolarHBondContact CB-OE2 3.41Å; T647-E650 WeakPolarHBondContact CG2-OE2 3.27Å; T647-E650 PolarHBondContact N-OE2 3.35Å; T647-E650 PolarHBondContact O-N 2.69Å; T647-E650 VanDerWaalsContact O-N 3.14Å; T647-E650 WeakPolarHBondContact OG1-CB 3.44Å; T647-E650 VanDerWaalsContact OG1-CD 3.26Å; T647-E650 VanDerWaalsContact OG1-CG 3.24Å; T647-E650 WeakPolarHBondContact OG1-CG 3.45Å; T647-E650 PolarHBondContact OG1-N 3.05Å; T647-E650 PolarHBondContact OG1-OE2 2.91Å; T647-L651 PolarHBondContact O-N 2.8Å
648R94.2Very high94.2Very high82 Ų8243.1 Ų43.131%0.30921%0.212SC..Hα-helixtrans-51.4-41.6174.6-171.8179.165-165.2-2.6112.7L651 A652 H822 E825 E829R648-L651 PolarHBondContact O-N 3.39Å; R648-A652 PolarHBondContact O-N 3.49Å; R648-H822 HydrophobicContact CG-CB 3.73Å; R648-H822 WeakPolarHBondContact O-CB 3.37Å; R648-E825 VanDerWaalsContact CB-OE2 3.3Å; R648-E825 WeakPolarHBondContact CB-OE2 3.47Å; R648-E825 HydrophobicContact CG-CB 4.29Å; R648-E825 WeakPolarHBondContact CG-OE2 3.48Å; R648-E829 IonicContact CZ-OE2 3.16Å; R648-E829 IonicContact NH1-OE2 2.68Å; R648-E829 PolarHBondContact NH1-OE2 3.26Å; R648-E829 IonicContact NH2-OE2 3.39Å
649D95.7Very high94.2Very high112 Ų11247.3 Ų47.360%0.59923%0.234SC*.Hα-helixtrans-74.5-34.3-176.8-61.3-15.9000111.3T647 A652 K653T647-D649 PolarHBondContact O-N 3.5Å; D649-A652 PolarHBondContact O-N 2.92Å; D649-K653 WeakPolarHBondContact O-CB 3.38Å; D649-K653 PolarHBondContact O-N 3.04Å
650E96.3Very high94.4Very high37 Ų3749.5 Ų49.517%0.17325%0.249CC..Hα-helixtrans-67.2-39.3171.6-73.8163.6153.100112.2R644 M646 T647 K653 A654R644-E650 IonicContact CZ-OE1 3.34Å; R644-E650 IonicContact CZ-OE2 3.46Å; R644-E650 IonicContact NH1-OE1 3.78Å; R644-E650 PolarHBondContact NH1-OE1 3.4Å; R644-E650 IonicContact NH1-OE2 3.24Å; R644-E650 PolarHBondContact NH1-OE2 2.79Å; R644-E650 IonicContact NH2-OE1 3Å; R644-E650 PolarHBondContact NH2-OE1 2.95Å; R644-E650 IonicContact NH2-OE2 2.73Å; M646-E650 WeakPolarHBondContact CA-OE2 3.41Å; M646-E650 HydrophobicContact CB-CB 4.26Å; M646-E650 HydrophobicContact CE-CB 3.96Å; T647-E650 WeakPolarHBondContact CB-OE2 3.41Å; T647-E650 WeakPolarHBondContact CG2-OE2 3.27Å; T647-E650 PolarHBondContact N-OE2 3.35Å; T647-E650 PolarHBondContact O-N 2.69Å; T647-E650 VanDerWaalsContact O-N 3.14Å; T647-E650 WeakPolarHBondContact OG1-CB 3.44Å; T647-E650 VanDerWaalsContact OG1-CD 3.26Å; T647-E650 VanDerWaalsContact OG1-CG 3.24Å; T647-E650 WeakPolarHBondContact OG1-CG 3.45Å; T647-E650 PolarHBondContact OG1-N 3.05Å; T647-E650 PolarHBondContact OG1-OE2 2.91Å; E650-K653 PolarHBondContact O-N 3.4Å; E650-A654 WeakPolarHBondContact O-CB 3.43Å; E650-A654 PolarHBondContact O-N 3.24Å
651L96.7Very high94.5Very high2 Ų250 Ų501%0.0125%0.251CS..Hα-helixtrans-63-44.7173.9-70.6173.2000111.5M646 T647 R648 K653 A654 E655 I741 E744 Q821 H822M646-L651 HydrophobicContact CB-CD2 3.86Å; M646-L651 HydrophobicContact CB-CG 3.9Å; M646-L651 HydrophobicContact CE-CD2 4.34Å; M646-L651 HydrophobicContact SD-CD2 3.95Å; T647-L651 PolarHBondContact O-N 2.8Å; R648-L651 PolarHBondContact O-N 3.39Å; L651-K653 VanDerWaalsContact C-N 3.3Å; L651-K653 PolarHBondContact O-N 3.14Å; L651-A654 PolarHBondContact O-N 2.92Å; L651-E655 PolarHBondContact O-N 2.84Å; L651-E655 VanDerWaalsContact O-N 3.12Å; L651-I741 HydrophobicContact CD2-CG2 4.11Å; L651-E744 HydrophobicContact CD1-CB 4.35Å; L651-E744 HydrophobicContact CD2-CB 3.83Å; L651-E744 HydrophobicContact CD2-CG 4.13Å; L651-Q821 HydrophobicContact CD1-CB 4.2Å; L651-Q821 VanDerWaalsContact CD1-CD 3.49Å; L651-Q821 HydrophobicContact CD1-CG 3.84Å; L651-H822 HydrophobicContact CB-CB 4.29Å
652A97.1Very high94.8Very high30 Ų3049.5 Ų49.525%0.24825%0.247CC..Hα-helixtrans-61.2-40.8174.200000111.5R648 D649 E655 E656 H822R648-A652 PolarHBondContact O-N 3.49Å; D649-A652 PolarHBondContact O-N 2.92Å; A652-E655 PolarHBondContact O-N 3.06Å; A652-E656 WeakPolarHBondContact O-CB 3.01Å; A652-E656 PolarHBondContact O-N 3.03Å; A652-H822 HydrophobicContact CB-CB 4.17Å
653K97.6Very high95.2Very high81 Ų8152.6 Ų52.635%0.35227%0.269SS..Hα-helixtrans-67.9-36.4177.6-168.857.1170.5179.20112.4L620 D649 E650 L651 E656 I657L620-K653 HydrophobicContact CD1-CB 4.07Å; L620-K653 HydrophobicContact CD1-CG 4.16Å; L620-K653 HydrophobicContact CD2-CB 4.18Å; L620-K653 HydrophobicContact CD2-CG 3.63Å; D649-K653 WeakPolarHBondContact O-CB 3.38Å; D649-K653 PolarHBondContact O-N 3.04Å; E650-K653 PolarHBondContact O-N 3.4Å; L651-K653 VanDerWaalsContact C-N 3.3Å; L651-K653 PolarHBondContact O-N 3.14Å; K653-E656 HydrophobicContact CD-CB 4.35Å; K653-E656 WeakPolarHBondContact CD-OE2 3.35Å; K653-E656 IonicContact NZ-OE1 3.69Å; K653-E656 PolarHBondContact NZ-OE1 3.48Å; K653-E656 IonicContact NZ-OE2 3.71Å; K653-E656 PolarHBondContact NZ-OE2 3.38Å; K653-E656 WeakPolarHBondContact O-CB 3.37Å; K653-E656 PolarHBondContact O-N 3.29Å; K653-I657 HydrophobicContact CG-CD1 4.23Å; K653-I657 VanDerWaalsContact O-CG1 3.32Å; K653-I657 WeakPolarHBondContact O-CG1 3.47Å; K653-I657 PolarHBondContact O-N 3.2Å
654A97.3Very high95.8Very high0 Ų052.2 Ų52.20%027%0.267CS..Hα-helixtrans-62.7-46.1175.800000110.9L620 M646 E650 L651 E656 I657 C658 I741L620-A654 VanDerWaalsContact CD1-CA 3.47Å; L620-A654 HydrophobicContact CD1-CB 3.65Å; L620-A654 VanDerWaalsContact CD1-N 3.34Å; M646-A654 HydrophobicContact CE-CB 4.14Å; E650-A654 WeakPolarHBondContact O-CB 3.43Å; E650-A654 PolarHBondContact O-N 3.24Å; L651-A654 PolarHBondContact O-N 2.92Å; A654-E656 VanDerWaalsContact C-N 3.35Å; A654-E656 PolarHBondContact O-N 3.15Å; A654-I657 PolarHBondContact O-N 2.92Å; A654-C658 PolarHBondContact O-N 2.99Å; A654-C658 PolarHBondContact O-SG 3.37Å; A654-I741 HydrophobicContact CB-CD1 3.87Å
655E97.5Very high96.1Very high22 Ų2253.1 Ų53.110%0.10327%0.271CS..Hα-helixtrans-61.2-41172.6-71.7-171.3149.800111.9L651 A652 I657 C658 D659 V740 I741 S820 H822L651-E655 PolarHBondContact O-N 2.84Å; L651-E655 VanDerWaalsContact O-N 3.12Å; A652-E655 PolarHBondContact O-N 3.06Å; E655-I657 PolarHBondContact O-N 2.96Å; E655-C658 WeakPolarHBondContact O-CB 3.3Å; E655-C658 PolarHBondContact O-N 3.34Å; E655-D659 WeakPolarHBondContact O-CB 2.97Å; E655-D659 PolarHBondContact O-N 2.92Å; E655-V740 VanDerWaalsContact OE1-CA 3.25Å; E655-V740 WeakPolarHBondContact OE1-CA 3.46Å; E655-I741 HydrophobicContact CG-CB 4.16Å; E655-I741 HydrophobicContact CG-CD1 3.84Å; E655-I741 HydrophobicContact CG-CG1 3.84Å; E655-I741 PolarHBondContact OE1-N 3.18Å; E655-S820 WeakPolarHBondContact OE1-CB 3.36Å; E655-S820 PolarHBondContact OE1-OG 2.96Å; E655-S820 VanDerWaalsContact OE1-OG 3.05Å; E655-S820 WeakPolarHBondContact OE2-CB 3.1Å; E655-S820 PolarHBondContact OE2-OG 2.9Å; E655-H822 IonicContact OE2-CD2 2.86Å; E655-H822 PolarHBondContact OE2-CD2 2.92Å; E655-H822 IonicContact OE2-NE2 3.57Å; E655-H822 PolarHBondContact OE2-NE2 3.5Å
656E97.5Very high96.4Very high99 Ų9954.3 Ų54.346%0.46327%0.271SS..Hα-helixtrans-61.8-42.4176.9-169.6-161.1141.200112.5A652 K653 A654 D659 T660A652-E656 WeakPolarHBondContact O-CB 3.01Å; A652-E656 PolarHBondContact O-N 3.03Å; K653-E656 HydrophobicContact CD-CB 4.35Å; K653-E656 WeakPolarHBondContact CD-OE2 3.35Å; K653-E656 IonicContact NZ-OE1 3.69Å; K653-E656 PolarHBondContact NZ-OE1 3.48Å; K653-E656 IonicContact NZ-OE2 3.71Å; K653-E656 PolarHBondContact NZ-OE2 3.38Å; K653-E656 WeakPolarHBondContact O-CB 3.37Å; K653-E656 PolarHBondContact O-N 3.29Å; A654-E656 VanDerWaalsContact C-N 3.35Å; A654-E656 PolarHBondContact O-N 3.15Å; E656-D659 PolarHBondContact O-N 3.12Å; E656-T660 VanDerWaalsContact O-CB 3.32Å; E656-T660 WeakPolarHBondContact O-CB 3.4Å; E656-T660 PolarHBondContact O-N 3.3Å; E656-T660 PolarHBondContact O-OG1 2.99Å
657I96.7Very high96.5Very high20 Ų2057.3 Ų57.310%0.10329%0.287CS..Hα-helixtrans-65.1-43.6175.9-67.1165.1000110F615 A616 E619 L620 K653 A654 E655 T660 M661F615-I657 HydrophobicContact CD1-CG2 4.1Å; F615-I657 HydrophobicContact CE1-CG2 4.03Å; A616-I657 HydrophobicContact CB-CB 3.88Å; A616-I657 HydrophobicContact CB-CG2 3.66Å; E619-I657 HydrophobicContact CB-CD1 4.14Å; E619-I657 VanDerWaalsContact OE2-CG2 3.27Å; E619-I657 WeakPolarHBondContact OE2-CG2 3.37Å; L620-I657 HydrophobicContact CD1-CD1 3.86Å; L620-I657 HydrophobicContact CD2-CD1 4Å; L620-I657 HydrophobicContact CG-CD1 3.81Å; K653-I657 HydrophobicContact CG-CD1 4.23Å; K653-I657 VanDerWaalsContact O-CG1 3.32Å; K653-I657 WeakPolarHBondContact O-CG1 3.47Å; K653-I657 PolarHBondContact O-N 3.2Å; A654-I657 PolarHBondContact O-N 2.92Å; E655-I657 PolarHBondContact O-N 2.96Å; I657-T660 WeakPolarHBondContact O-CB 3.32Å; I657-T660 PolarHBondContact O-N 3.24Å; I657-M661 PolarHBondContact O-N 2.9Å
658C97.4Very high96.7Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-59.1-49.3176.1-66.40000111.3V612 A654 E655 T660 M661 I662 L739V612-C658 HydrophobicContact CG1-CB 3.77Å; A654-C658 PolarHBondContact O-N 2.99Å; A654-C658 PolarHBondContact O-SG 3.37Å; E655-C658 WeakPolarHBondContact O-CB 3.3Å; E655-C658 PolarHBondContact O-N 3.34Å; C658-T660 VanDerWaalsContact C-N 3.32Å; C658-T660 PolarHBondContact O-N 3.1Å; C658-M661 PolarHBondContact O-N 3.28Å; C658-I662 WeakPolarHBondContact O-CB 3.39Å; C658-I662 VanDerWaalsContact O-CG1 3.26Å; C658-I662 WeakPolarHBondContact O-CG1 3.35Å; C658-I662 PolarHBondContact O-N 3.35Å; C658-L739 HydrophobicContact CB-CB 4.32Å; C658-L739 HydrophobicContact CB-CD1 4.42Å; C658-L739 HydrophobicContact CB-CD2 4.31Å
659D96.7Very high96.8Very high87 Ų8754.9 Ų54.947%0.46527%0.273SS..Hα-helixtrans-63.7-37.1178.4-170.855.8000111.9E655 E656 M661 I662 S663E655-D659 WeakPolarHBondContact O-CB 2.97Å; E655-D659 PolarHBondContact O-N 2.92Å; E656-D659 PolarHBondContact O-N 3.12Å; D659-M661 VanDerWaalsContact C-N 3.34Å; D659-M661 PolarHBondContact O-N 2.9Å; D659-I662 PolarHBondContact O-N 3.4Å; D659-S663 WeakPolarHBondContact O-CB 3.4Å; D659-S663 PolarHBondContact O-N 3.47Å; D659-S663 PolarHBondContact O-OG 2.88Å
660T96.7Very high96.9Very high60 Ų6052.4 Ų52.437%0.36827%0.265SS..Hα-helixtrans-61.3-41.8173.4-62.70000111.6E656 I657 C658 S663 K664E656-T660 VanDerWaalsContact O-CB 3.32Å; E656-T660 WeakPolarHBondContact O-CB 3.4Å; E656-T660 PolarHBondContact O-N 3.3Å; E656-T660 PolarHBondContact O-OG1 2.99Å; I657-T660 WeakPolarHBondContact O-CB 3.32Å; I657-T660 PolarHBondContact O-N 3.24Å; C658-T660 VanDerWaalsContact C-N 3.32Å; C658-T660 PolarHBondContact O-N 3.1Å; T660-S663 WeakPolarHBondContact CA-OG 3.45Å; T660-S663 PolarHBondContact O-OG 3.46Å; T660-S663 VanDerWaalsContact O-OG 3.04Å; T660-K664 VanDerWaalsContact O-CG 3.27Å; T660-K664 WeakPolarHBondContact O-CG 3.43Å; T660-K664 PolarHBondContact O-N 3.37Å
661M95.4Very high96.8Very high10 Ų1053.1 Ų53.15%0.04927%0.274CS..Hα-helixtrans-71.9-36.4178.6-169.2165.7175.900112.4V612 F615 I657 C658 D659 L666 I701 T720 T733V612-M661 HydrophobicContact CB-SD 4.34Å; V612-M661 HydrophobicContact CG1-CB 4.09Å; V612-M661 HydrophobicContact CG1-CG 4.37Å; V612-M661 HydrophobicContact CG1-SD 4.05Å; V612-M661 HydrophobicContact CG2-CE 4.2Å; V612-M661 HydrophobicContact CG2-CG 4.3Å; V612-M661 HydrophobicContact CG2-SD 3.96Å; F615-M661 HydrophobicContact CB-SD 4.47Å; F615-M661 HydrophobicContact CD1-SD 3.94Å; F615-M661 HydrophobicContact CG-SD 4.27Å; I657-M661 PolarHBondContact O-N 2.9Å; C658-M661 PolarHBondContact O-N 3.28Å; D659-M661 VanDerWaalsContact C-N 3.34Å; D659-M661 PolarHBondContact O-N 2.9Å; M661-L666 HydrophobicContact CG-CD1 4.36Å; M661-I701 HydrophobicContact CE-CB 3.47Å; M661-I701 VanDerWaalsContact CE-CB 3.47Å; M661-I701 HydrophobicContact CE-CD1 3.61Å; M661-I701 HydrophobicContact CE-CG1 4.06Å; M661-I701 HydrophobicContact CE-CG2 3.39Å; M661-T720 WeakPolarHBondContact CE-OG1 3.46Å; M661-T733 PolarHBondContact O-OG1 3.2Å
662I96.5Very high96.7Very high8 Ų857.9 Ų57.94%0.04130%0.299CS..Hα-helixtrans-68.8-46.3176-70.5166.8000111.1C658 D659 K664 R665 T733 I736 G737 L739C658-I662 WeakPolarHBondContact O-CB 3.39Å; C658-I662 VanDerWaalsContact O-CG1 3.26Å; C658-I662 WeakPolarHBondContact O-CG1 3.35Å; C658-I662 PolarHBondContact O-N 3.35Å; D659-I662 PolarHBondContact O-N 3.4Å; I662-K664 PolarHBondContact O-N 2.98Å; I662-R665 PolarHBondContact O-N 3.46Å; I662-T733 PolarHBondContact O-OG1 3.35Å; I662-I736 HydrophobicContact CD1-CB 4.19Å; I662-I736 HydrophobicContact CD1-CD1 4.43Å; I662-I736 HydrophobicContact CD1-CG2 3.9Å; I662-I736 HydrophobicContact CG1-CB 4.32Å; I662-I736 HydrophobicContact CG1-CD1 4.08Å; I662-G737 VanDerWaalsContact CG2-O 3.32Å; I662-G737 WeakPolarHBondContact CG2-O 3.38Å; I662-L739 HydrophobicContact CD1-CB 4.11Å
663S96.3Very high96.5Very high72 Ų7257.1 Ų57.150%0.50329%0.291SS..Hα-helixtrans-66.4-23.2-178.5600000113.7D659 T660 R665D659-S663 WeakPolarHBondContact O-CB 3.4Å; D659-S663 PolarHBondContact O-N 3.47Å; D659-S663 PolarHBondContact O-OG 2.88Å; T660-S663 WeakPolarHBondContact CA-OG 3.45Å; T660-S663 PolarHBondContact O-OG 3.46Å; T660-S663 VanDerWaalsContact O-OG 3.04Å; S663-R665 WeakPolarHBondContact O-CG 3.27Å; S663-R665 PolarHBondContact O-N 2.54Å
664K96.5Very high96.2Very high135 Ų13555.7 Ų55.759%0.58729%0.292SS*.THydrogen-bonded Turntrans-67.5-14170.5-76.7171.8-176.9176.40114.1T660 I662 L666T660-K664 VanDerWaalsContact O-CG 3.27Å; T660-K664 WeakPolarHBondContact O-CG 3.43Å; T660-K664 PolarHBondContact O-N 3.37Å; I662-K664 PolarHBondContact O-N 2.98Å; K664-L666 VanDerWaalsContact C-N 3.33Å; K664-L666 HydrophobicContact CB-CD1 4.15Å; K664-L666 HydrophobicContact CB-CD2 3.97Å; K664-L666 HydrophobicContact CB-CG 3.73Å; K664-L666 HydrophobicContact CD-CD1 4.34Å; K664-L666 PolarHBondContact O-N 3.17Å
665R96.5Very high95.8Very high153 Ų15356.8 Ų56.858%0.57730%0.297SS*.THydrogen-bonded Turntrans5347.8177.3-46.1-175.9179.1-162.5-1.4112.8I662 S663 N732 K734I662-R665 PolarHBondContact O-N 3.46Å; S663-R665 WeakPolarHBondContact O-CG 3.27Å; S663-R665 PolarHBondContact O-N 2.54Å; R665-N732 VanDerWaalsContact C-OD1 3.28Å; R665-N732 VanDerWaalsContact CA-OD1 3.31Å; R665-N732 WeakPolarHBondContact CA-OD1 3.3Å; R665-N732 PolarHBondContact O-ND2 3.44Å; R665-N732 PolarHBondContact O-OD1 3.36Å; R665-K734 HydrophobicContact CB-CB 4.27Å; R665-K734 HydrophobicContact CG-CB 4.07Å; R665-K734 HydrophobicContact CG-CD 4.5Å; R665-K734 HydrophobicContact CG-CG 4.44Å
666L96.3Very high95.3Very high48 Ų4859.8 Ų59.825%0.25132%0.321SS..PPolyproline II helixtrans-77139.1-175.5-60.5174.8000110.3M661 K664 I701 N732 T733M661-L666 HydrophobicContact CG-CD1 4.36Å; K664-L666 VanDerWaalsContact C-N 3.33Å; K664-L666 HydrophobicContact CB-CD1 4.15Å; K664-L666 HydrophobicContact CB-CD2 3.97Å; K664-L666 HydrophobicContact CB-CG 3.73Å; K664-L666 HydrophobicContact CD-CD1 4.34Å; K664-L666 PolarHBondContact O-N 3.17Å; L666-I701 HydrophobicContact CB-CG2 3.87Å; L666-I701 HydrophobicContact CD1-CG2 4.12Å; L666-N732 CarbonylContact O-C 3.46Å; L666-N732 VanDerWaalsContact O-CA 3.31Å; L666-N732 WeakPolarHBondContact O-CA 3.3Å; L666-N732 PolarHBondContact O-ND2 3.35Å; L666-T733 HydrophobicContact CB-CG2 4.06Å; L666-T733 PolarHBondContact N-OG1 3.3Å; L666-T733 PolarHBondContact O-N 2.84Å
667N97.4Very high94.8Very high80 Ų8059.3 Ų59.343%0.42832%0.316SS..BIsolated β-bridgetrans-68146.3171.5-68.4-19.1000110.6Y669 G702 L731 N732N667-Y669 HydrophobicContact CB-CD2 4.45Å; N667-Y669 HydrophobicContact CB-CE1 4.27Å; N667-Y669 HydrophobicContact CB-CE2 3.74Å; N667-Y669 PolarHBondContact ND2-OH 3.14Å; N667-G702 PolarHBondContact O-N 3.19Å; N667-L731 WeakPolarHBondContact CA-O 3.41Å; N667-N732 PolarHBondContact OD1-ND2 2.98Å
668V97.9Very high94.5Very high17 Ų1758.4 Ų58.410%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-103.4116.9173.4-175.30000108.3T608 V699 I701 H729 V730 L731 T733T608-V668 HydrophobicContact CG2-CG2 4.02Å; V668-V699 HydrophobicContact CG1-CG1 3.77Å; V668-I701 HydrophobicContact CG1-CG1 4.43Å; V668-I701 HydrophobicContact CG2-CG1 4.25Å; V668-H729 HydrophobicContact CG1-CB 4.1Å; V668-V730 WeakPolarHBondContact CB-O 3.47Å; V668-V730 WeakPolarHBondContact CG2-O 3.29Å; V668-L731 PolarHBondContact N-O 3.32Å; V668-T733 HydrophobicContact CG2-CG2 4.41Å
669Y97.5Very high94Very high79 Ų7964.9 Ų64.931%0.3134%0.339SS..EExtended strand (participates in β ladder)trans-101.8149.4-178.9-59.2-81.8000110.3N667 V699 S700 V703 P704N667-Y669 HydrophobicContact CB-CD2 4.45Å; N667-Y669 HydrophobicContact CB-CE1 4.27Å; N667-Y669 HydrophobicContact CB-CE2 3.74Å; N667-Y669 PolarHBondContact ND2-OH 3.14Å; Y669-V699 CarbonylContact O-C 3.59Å; Y669-V699 WeakPolarHBondContact O-CA 2.99Å; Y669-S700 PolarHBondContact N-O 2.82Å; Y669-S700 PolarHBondContact O-N 3.26Å; Y669-V703 VanDerWaalsContact CD2-C 3.43Å; Y669-V703 VanDerWaalsContact CD2-O 3.29Å; Y669-V703 WeakPolarHBondContact CD2-O 3.42Å; Y669-P704 HydrophobicContact CD1-CB 4.38Å; Y669-P704 HydrophobicContact CD2-CG 4.44Å; Y669-P704 HydrophobicContact CE1-CB 4.47Å; Y669-P704 HydrophobicContact CE1-CG 4.16Å; Y669-P704 HydrophobicContact CE2-CG 4.05Å; Y669-P704 HydrophobicContact CG-CB 4.44Å
670S96.4Very high93.7Very high61 Ų6164 Ų6443%0.42734%0.337SS..EExtended strand (participates in β ladder)trans-145.8143.7171.1660000111.8R697 V698S670-R697 PolarHBondContact OG-NH2 3.2Å; S670-V698 WeakPolarHBondContact CA-O 3.45Å
671S95.5Very high93.4Very high52 Ų5261.4 Ų61.436%0.36432%0.321SS..EExtended strand (participates in β ladder)trans-152.6152.7171.5-171.70000110.6V698S671-V698 PolarHBondContact N-O 3.43Å; S671-V698 VanDerWaalsContact N-O 3.07Å; S671-V698 PolarHBondContact O-N 3.03Å
672N94.4Very high93.1Very high101 Ų10164.8 Ų64.854%0.5434%0.337SS..EExtended strand (participates in β ladder)trans-75.7133.5165.3-69.3-20.6000109P695 V696 R697N672-P695 HydrophobicContact CB-CB 4.08Å; N672-P695 HydrophobicContact CB-CG 4.17Å; N672-V696 CarbonylContact C-O 3.55Å; N672-V696 WeakPolarHBondContact CA-O 3.2Å; N672-R697 WeakPolarHBondContact OD1-CB 3.46Å
673V92.7Very high92.6Very high14 Ų1465.3 Ų65.39%0.08534%0.344CS..EExtended strand (participates in β ladder)trans-135.3148.1179.5-176.40000107L675 Y677 A678 P695 V696 V698 V705 V709V673-L675 PolarHBondContact O-N 2.82Å; V673-Y677 HydrophobicContact CG1-CD1 4.14Å; V673-A678 HydrophobicContact CB-CB 4.1Å; V673-A678 HydrophobicContact CG1-CB 3.99Å; V673-P695 CarbonylContact O-C 3.5Å; V673-P695 WeakPolarHBondContact O-CA 3.5Å; V673-P695 WeakPolarHBondContact O-CB 3.45Å; V673-V696 PolarHBondContact N-O 2.92Å; V673-V696 PolarHBondContact O-N 2.98Å; V673-V698 HydrophobicContact CB-CG2 4.14Å; V673-V698 HydrophobicContact CG2-CB 4.49Å; V673-V698 HydrophobicContact CG2-CG2 3.98Å; V673-V705 HydrophobicContact CG2-CG1 3.77Å; V673-V709 HydrophobicContact CG1-CG2 3.87Å; V673-V709 HydrophobicContact CG2-CG2 3.73Å
674S91.4Very high92.4Very high52 Ų5263.2 Ų63.236%0.36433%0.328SS..  trans-58.4137.1173.860.10000110.3S676 Y677 A678 D694S674-S676 VanDerWaalsContact C-N 3.26Å; S674-S676 PolarHBondContact O-N 3.37Å; S674-Y677 PolarHBondContact O-N 3.47Å; S674-Y677 VanDerWaalsContact O-N 3.07Å; S674-Y677 WeakPolarHBondContact OG-CB 3.5Å; S674-A678 WeakPolarHBondContact O-CB 3.32Å; S674-A678 PolarHBondContact O-N 3.41Å; S674-D694 VanDerWaalsContact CA-OD1 3.26Å; S674-D694 WeakPolarHBondContact CA-OD1 3.38Å
675L88.5Confident92Very high22 Ų2257.7 Ų57.712%0.11530%0.303CS..Hα-helixtrans-58.6-40.2-174.1177.860.8000112V673 Y677 A678 K679 D694 V696 F724V673-L675 PolarHBondContact O-N 2.82Å; L675-Y677 VanDerWaalsContact C-N 3.32Å; L675-Y677 PolarHBondContact O-N 2.99Å; L675-A678 PolarHBondContact O-N 3.15Å; L675-K679 HydrophobicContact CD1-CD 4.4Å; L675-K679 HydrophobicContact CD1-CG 4.34Å; L675-K679 HydrophobicContact CG-CD 4.41Å; L675-K679 VanDerWaalsContact O-CG 3.31Å; L675-K679 WeakPolarHBondContact O-CG 3.46Å; L675-K679 PolarHBondContact O-N 3.23Å; L675-K679 VanDerWaalsContact O-N 3.11Å; L675-D694 HydrophobicContact CB-CB 3.94Å; L675-D694 PolarHBondContact N-OD1 3.14Å; L675-V696 HydrophobicContact CB-CB 4.48Å; L675-V696 HydrophobicContact CB-CG1 4.36Å; L675-V696 HydrophobicContact CD1-CB 3.95Å; L675-V696 HydrophobicContact CD1-CG1 3.89Å; L675-V696 HydrophobicContact CD1-CG2 4.35Å; L675-F724 HydrophobicContact CD1-CD2 4.42Å; L675-F724 HydrophobicContact CD1-CE2 3.89Å; L675-F724 HydrophobicContact CD1-CZ 4.46Å
676S87Confident91.5Very high86 Ų8653 Ų5360%0.60130%0.297SS*.Hα-helixtrans-59.5-42.7176.856.80000112.1S674S674-S676 VanDerWaalsContact C-N 3.26Å; S674-S676 PolarHBondContact O-N 3.37Å
677Y86.6Confident90.6Very high89 Ų8952 Ų5235%0.34929%0.293SS..Hα-helixtrans-78.4-39.6-179.3-160.2-97.8000112V673 S674 L675 K679 T680 V709V673-Y677 HydrophobicContact CG1-CD1 4.14Å; S674-Y677 PolarHBondContact O-N 3.47Å; S674-Y677 VanDerWaalsContact O-N 3.07Å; S674-Y677 WeakPolarHBondContact OG-CB 3.5Å; L675-Y677 VanDerWaalsContact C-N 3.32Å; L675-Y677 PolarHBondContact O-N 2.99Å; Y677-K679 PolarHBondContact O-N 3.4Å; Y677-T680 WeakPolarHBondContact O-CB 3.42Å; Y677-T680 PolarHBondContact O-N 2.98Å; Y677-T680 PolarHBondContact O-OG1 3.24Å; Y677-V709 HydrophobicContact CD1-CG1 3.87Å; Y677-V709 HydrophobicContact CD1-CG2 4.47Å; Y677-V709 HydrophobicContact CE1-CB 4.07Å; Y677-V709 HydrophobicContact CE1-CG1 3.45Å; Y677-V709 VanDerWaalsContact CE1-CG1 3.45Å; Y677-V709 HydrophobicContact CE1-CG2 4.47Å; Y677-V709 WeakPolarHBondContact CE1-O 3.5Å; Y677-V709 PolarHBondContact OH-O 3.24Å
678A89.9Confident88.9Confident0 Ų053.8 Ų53.80%030%0.297CS..Hα-helixtrans-58.8-36.6176.900000112V673 S674 L675 T680 I681 V696 V698 F724V673-A678 HydrophobicContact CB-CB 4.1Å; V673-A678 HydrophobicContact CG1-CB 3.99Å; S674-A678 WeakPolarHBondContact O-CB 3.32Å; S674-A678 PolarHBondContact O-N 3.41Å; L675-A678 PolarHBondContact O-N 3.15Å; A678-T680 PolarHBondContact O-N 3.49Å; A678-I681 WeakPolarHBondContact O-CB 3.43Å; A678-I681 WeakPolarHBondContact O-CG1 3.25Å; A678-I681 PolarHBondContact O-N 3.01Å; A678-V696 HydrophobicContact CB-CG1 3.38Å; A678-V698 HydrophobicContact CB-CG2 3.86Å; A678-F724 HydrophobicContact CB-CD1 4.49Å; A678-F724 HydrophobicContact CB-CE1 3.49Å; A678-F724 VanDerWaalsContact CB-CE1 3.49Å; A678-F724 HydrophobicContact CB-CZ 3.68Å
679K88.7Confident87.2Confident136 Ų13655.6 Ų55.659%0.59132%0.32SS*.THydrogen-bonded Turntrans-64.7-18.3174.6-76.8175.5177177.30113.6L675 Y677 F724L675-K679 HydrophobicContact CD1-CD 4.4Å; L675-K679 HydrophobicContact CD1-CG 4.34Å; L675-K679 HydrophobicContact CG-CD 4.41Å; L675-K679 VanDerWaalsContact O-CG 3.31Å; L675-K679 WeakPolarHBondContact O-CG 3.46Å; L675-K679 PolarHBondContact O-N 3.23Å; L675-K679 VanDerWaalsContact O-N 3.11Å; Y677-K679 PolarHBondContact O-N 3.4Å; K679-F724 HydrophobicContact CG-CE2 4Å; K679-F724 HydrophobicContact CG-CZ 3.98Å
680T89.2Confident85.9Confident70 Ų7055.3 Ų55.343%0.42932%0.321SS..THydrogen-bonded Turntrans-79.9-17.5177.372.30000113.3Y677 A678 Q682 P712Y677-T680 WeakPolarHBondContact O-CB 3.42Å; Y677-T680 PolarHBondContact O-N 2.98Å; Y677-T680 PolarHBondContact O-OG1 3.24Å; A678-T680 PolarHBondContact O-N 3.49Å; T680-Q682 PolarHBondContact O-N 3.48Å; T680-Q682 VanDerWaalsContact O-N 3.09Å; T680-P712 WeakPolarHBondContact OG1-CB 3.28Å
681I90.7Very high84.6Confident4 Ų457.1 Ų57.12%0.02134%0.34CS..SBendtrans-64.5112.3-178.7-60169.5000109.5A678 G683 V684 V698 L708 P712 V722A678-I681 WeakPolarHBondContact O-CB 3.43Å; A678-I681 WeakPolarHBondContact O-CG1 3.25Å; A678-I681 PolarHBondContact O-N 3.01Å; I681-G683 PolarHBondContact O-N 2.9Å; I681-V684 HydrophobicContact CB-CB 4.11Å; I681-V684 HydrophobicContact CB-CG1 4.41Å; I681-V684 HydrophobicContact CG2-CB 4.29Å; I681-V684 WeakPolarHBondContact O-CB 3.47Å; I681-V684 WeakPolarHBondContact O-CG1 3.4Å; I681-V684 PolarHBondContact O-N 2.97Å; I681-V698 HydrophobicContact CD1-CG1 4.45Å; I681-L708 HydrophobicContact CD1-CB 4.13Å; I681-L708 HydrophobicContact CG2-CB 4.25Å; I681-L708 HydrophobicContact CG2-CD2 4.49Å; I681-P712 HydrophobicContact CG1-CB 4.24Å; I681-V722 HydrophobicContact CG2-CG1 4.26Å
682Q89Confident83.9Confident82 Ų8256.7 Ų56.738%0.38333%0.331SS..THydrogen-bonded Turntrans-65.2122.5-173.6-166.9-169.849.400111.5T680 P712 E713 G717 K718T680-Q682 PolarHBondContact O-N 3.48Å; T680-Q682 VanDerWaalsContact O-N 3.09Å; Q682-P712 WeakPolarHBondContact CB-O 3.44Å; Q682-P712 PolarHBondContact N-O 2.94Å; Q682-E713 PolarHBondContact OE1-O 3Å; Q682-G717 WeakPolarHBondContact O-CA 3.39Å; Q682-G717 PolarHBondContact O-N 2.93Å; Q682-K718 VanDerWaalsContact CD-NZ 3.35Å
683G87.2Confident83.2Confident19 Ų1955 Ų5520%0.19633%0.325CS..THydrogen-bonded Turntrans872.1-17900000114.6R618 I681 R685R618-G683 PolarHBondContact NH1-O 3.43Å; I681-G683 PolarHBondContact O-N 2.9Å; G683-R685 PolarHBondContact O-N 3Å
684V90.4Very high82.7Confident28 Ų2858.3 Ų58.317%0.1734%0.342CS..  trans-55.7137.8171.870.70000110.5I681 V722 F724I681-V684 HydrophobicContact CB-CB 4.11Å; I681-V684 HydrophobicContact CB-CG1 4.41Å; I681-V684 HydrophobicContact CG2-CB 4.29Å; I681-V684 WeakPolarHBondContact O-CB 3.47Å; I681-V684 WeakPolarHBondContact O-CG1 3.4Å; I681-V684 PolarHBondContact O-N 2.97Å; V684-V722 WeakPolarHBondContact CA-O 3.29Å; V684-V722 HydrophobicContact CB-CG1 4.41Å; V684-V722 HydrophobicContact CG2-CG1 4.04Å; V684-F724 HydrophobicContact CG1-CE1 4.36Å; V684-F724 HydrophobicContact CG1-CZ 4.34Å; V684-F724 HydrophobicContact CG2-CD1 3.77Å; V684-F724 HydrophobicContact CG2-CE1 3.49Å; V684-F724 VanDerWaalsContact CG2-CE1 3.49Å; V684-F724 HydrophobicContact CG2-CZ 4.23Å
685R89.6Confident82.7Confident18 Ų1859.2 Ų59.27%0.06835%0.347CS..BIsolated β-bridgetrans-96.9134177.9-60.8171-176.269.80.6109.1N614 F615 R618 G683 G717 T720 V722 E723 F724N614-R685 WeakPolarHBondContact ND2-CD 3.43Å; F615-R685 VanDerWaalsContact CD2-NH2 3.29Å; R618-R685 VanDerWaalsContact CD-NE 3.35Å; G683-R685 PolarHBondContact O-N 3Å; R685-G717 PolarHBondContact NH1-O 3.03Å; R685-T720 PolarHBondContact NH1-O 3.03Å; R685-T720 VanDerWaalsContact NH1-O 3.16Å; R685-V722 PolarHBondContact N-O 3.47Å; R685-E723 HydrophobicContact CB-CB 4.05Å; R685-E723 HydrophobicContact CB-CG 3.82Å; R685-E723 HydrophobicContact CG-CG 4.32Å; R685-E723 CarbonylContact O-C 3.56Å; R685-E723 VanDerWaalsContact O-CA 3.26Å; R685-E723 WeakPolarHBondContact O-CA 3.33Å; R685-F724 PolarHBondContact O-N 3.06Å
686A86.2Confident82.8Confident54 Ų5458.3 Ų58.345%0.44634%0.342SS..  trans-143.7153.4170.600000107.2Y692 F724A686-Y692 HydrophobicContact CB-CE2 3.85Å; A686-F724 HydrophobicContact CB-CD2 3.65Å; A686-F724 HydrophobicContact CB-CE2 4.03Å; A686-F724 HydrophobicContact CB-CG 4.32Å
687V76.4Confident83.2Confident27 Ų2755.2 Ų55.216%0.16432%0.318CS..  trans-82122.2176-176.10000108.2Q626 G689 E690 Y692Q626-V687 HydrophobicContact CG-CG2 4.41Å; V687-G689 PolarHBondContact O-N 3.42Å; V687-E690 HydrophobicContact CB-CB 4.4Å; V687-E690 HydrophobicContact CB-CG 3.92Å; V687-E690 HydrophobicContact CG1-CG 4Å; V687-E690 PolarHBondContact O-N 3.22Å; V687-Y692 PolarHBondContact N-OH 3.03Å
688F62.1Low83.6Confident118 Ų11851 Ų5152%0.51830%0.301SS..THydrogen-bonded Turntrans-62.8127.5-178.7-171.9-102.3000111
689G61.6Low84Confident56 Ų5651 Ų5158%0.57730%0.301SS*.THydrogen-bonded Turntrans92.7-9.4-179.500000115.4V687V687-G689 PolarHBondContact O-N 3.42Å
690E69.7Low84.4Confident72 Ų7244.5 Ų44.534%0.33627%0.273SS..  trans-76.5138.9174-76.1-170.1171.300112H34 V687 Y692H34-E690 WeakPolarHBondContact NE2-CG 3.36Å; V687-E690 HydrophobicContact CB-CB 4.4Å; V687-E690 HydrophobicContact CB-CG 3.92Å; V687-E690 HydrophobicContact CG1-CG 4Å; V687-E690 PolarHBondContact O-N 3.22Å; E690-Y692 HydrophobicContact CB-CD2 4.49Å; E690-Y692 HydrophobicContact CB-CE2 3.83Å; E690-Y692 PolarHBondContact OE2-OH 2.9Å
691A69.8Low84.8Confident100 Ų10041.2 Ų41.283%0.82625%0.253SS*.  trans-85.4111.2168.900000109.3
692Y80.1Confident85Confident42 Ų4242.3 Ų42.317%0.16527%0.265CS..  trans-88.9143.5173-67.3-81.4000110.2A686 V687 E690 V696 F724A686-Y692 HydrophobicContact CB-CE2 3.85Å; V687-Y692 PolarHBondContact N-OH 3.03Å; E690-Y692 HydrophobicContact CB-CD2 4.49Å; E690-Y692 HydrophobicContact CB-CE2 3.83Å; E690-Y692 PolarHBondContact OE2-OH 2.9Å; Y692-V696 HydrophobicContact CD1-CG2 3.99Å; Y692-V696 HydrophobicContact CG-CG2 4.16Å; Y692-F724 HydrophobicContact CD1-CB 3.81Å; Y692-F724 HydrophobicContact CD1-CD2 4.12Å; Y692-F724 HydrophobicContact CD1-CG 4.43Å; Y692-F724 AromaticContact CD2-CD2 3.87Å; Y692-F724 HydrophobicContact CD2-CD2 3.87Å; Y692-F724 HydrophobicContact CE1-CB 3.62Å; Y692-F724 HydrophobicContact CE1-CD2 4.31Å; Y692-F724 HydrophobicContact CE1-CG 4.5Å; Y692-F724 HydrophobicContact CE2-CD2 4.05Å; Y692-F724 HydrophobicContact CG-CB 4.47Å; Y692-F724 AromaticContact CG-CD2 3.93Å; Y692-F724 HydrophobicContact CG-CD2 3.93Å
693P79.6Confident85.3Confident66 Ų6639.5 Ų39.543%0.42925%0.254SS..  trans-65.5157.8172.429.2-34.5000111P695 V696P693-P695 CarbonylContact C-O 3.58Å; P693-P695 CarbonylContact O-C 3.59Å; P693-P695 VanDerWaalsContact O-C 3.24Å; P693-V696 WeakPolarHBondContact O-CA 3.42Å; P693-V696 WeakPolarHBondContact O-CB 3.45Å; P693-V696 PolarHBondContact O-N 2.98Å
694D83.6Confident85.8Confident83 Ų8340.5 Ų40.544%0.44426%0.257SS..SBendtrans-118.2114.8168.8-171.520.5000109.1S674 L675S674-D694 VanDerWaalsContact CA-OD1 3.26Å; S674-D694 WeakPolarHBondContact CA-OD1 3.38Å; L675-D694 HydrophobicContact CB-CB 3.94Å; L675-D694 PolarHBondContact N-OD1 3.14Å
695P90Very high85.9Confident71 Ų7139.4 Ų39.446%0.46125%0.25SS..SBendcis-71.9151.25.332.6-36.8000113.6N672 V673 P693N672-P695 HydrophobicContact CB-CB 4.08Å; N672-P695 HydrophobicContact CB-CG 4.17Å; V673-P695 CarbonylContact O-C 3.5Å; V673-P695 WeakPolarHBondContact O-CA 3.5Å; V673-P695 WeakPolarHBondContact O-CB 3.45Å; P693-P695 CarbonylContact C-O 3.58Å; P693-P695 CarbonylContact O-C 3.59Å; P693-P695 VanDerWaalsContact O-C 3.24Å
696V91.6Very high86.1Confident3 Ų343.4 Ų43.42%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-96.2140.8174.868.50000110.5N672 V673 L675 A678 Y692 P693 V698 F724N672-V696 CarbonylContact C-O 3.55Å; N672-V696 WeakPolarHBondContact CA-O 3.2Å; V673-V696 PolarHBondContact N-O 2.92Å; V673-V696 PolarHBondContact O-N 2.98Å; L675-V696 HydrophobicContact CB-CB 4.48Å; L675-V696 HydrophobicContact CB-CG1 4.36Å; L675-V696 HydrophobicContact CD1-CB 3.95Å; L675-V696 HydrophobicContact CD1-CG1 3.89Å; L675-V696 HydrophobicContact CD1-CG2 4.35Å; A678-V696 HydrophobicContact CB-CG1 3.38Å; Y692-V696 HydrophobicContact CD1-CG2 3.99Å; Y692-V696 HydrophobicContact CG-CG2 4.16Å; P693-V696 WeakPolarHBondContact O-CA 3.42Å; P693-V696 WeakPolarHBondContact O-CB 3.45Å; P693-V696 PolarHBondContact O-N 2.98Å; V696-V698 HydrophobicContact CG1-CG2 4.36Å; V696-F724 HydrophobicContact CG1-CD1 4.26Å; V696-F724 HydrophobicContact CG1-CE1 4.19Å; V696-F724 HydrophobicContact CG1-CZ 4.37Å; V696-F724 HydrophobicContact CG2-CB 3.87Å; V696-F724 HydrophobicContact CG2-CD1 4.17Å; V696-F724 HydrophobicContact CG2-CD2 4.01Å; V696-F724 HydrophobicContact CG2-CG 3.75Å
697R94.7Very high86.3Confident22 Ų2243.3 Ų43.38%0.08327%0.272CS..EExtended strand (participates in β ladder)trans-82.8117.6173.7-170.4169175.5-93.96.5110.5S670 N672 F724 C725 G727S670-R697 PolarHBondContact OG-NH2 3.2Å; N672-R697 WeakPolarHBondContact OD1-CB 3.46Å; R697-F724 WeakPolarHBondContact O-CA 3.39Å; R697-C725 WeakPolarHBondContact CG-O 3.39Å; R697-C725 PolarHBondContact NH1-O 3.05Å; R697-C725 PolarHBondContact O-N 3.17Å; R697-G727 PolarHBondContact NH1-O 3.37Å
698V95.8Very high87Confident0 Ų042.1 Ų42.10%027%0.265CS..EExtended strand (participates in β ladder)trans-97.6130.7174.5-176.40000108.8S670 S671 V673 A678 I681 V696 V705 V722 F724S670-V698 WeakPolarHBondContact CA-O 3.45Å; S671-V698 PolarHBondContact N-O 3.43Å; S671-V698 VanDerWaalsContact N-O 3.07Å; S671-V698 PolarHBondContact O-N 3.03Å; V673-V698 HydrophobicContact CB-CG2 4.14Å; V673-V698 HydrophobicContact CG2-CB 4.49Å; V673-V698 HydrophobicContact CG2-CG2 3.98Å; A678-V698 HydrophobicContact CB-CG2 3.86Å; I681-V698 HydrophobicContact CD1-CG1 4.45Å; V696-V698 HydrophobicContact CG1-CG2 4.36Å; V698-V705 HydrophobicContact CB-CG1 4.06Å; V698-V705 HydrophobicContact CG1-CG1 4.3Å; V698-V705 HydrophobicContact CG1-CG2 4.45Å; V698-V722 HydrophobicContact CG1-CG1 3.9Å; V698-F724 HydrophobicContact CG2-CD1 3.99Å; V698-F724 HydrophobicContact CG2-CE1 4.04Å
699V97.3Very high88.2Confident0 Ų038.4 Ų38.40%025%0.252CS..EExtended strand (participates in β ladder)trans-112.3130.9173.4178.90000108.7V668 Y669 V722 E723 C725V668-V699 HydrophobicContact CG1-CG1 3.77Å; Y669-V699 CarbonylContact O-C 3.59Å; Y669-V699 WeakPolarHBondContact O-CA 2.99Å; V699-V722 CarbonylContact O-C 3.46Å; V699-V722 WeakPolarHBondContact O-CA 3.42Å; V699-E723 PolarHBondContact N-O 2.9Å; V699-E723 PolarHBondContact O-N 3.24Å; V699-C725 HydrophobicContact CB-CB 4.39Å; V699-C725 HydrophobicContact CG2-CB 3.93Å
700S97.5Very high89.5Confident0 Ų039.7 Ų39.70%026%0.258CS..EExtended strand (participates in β ladder)trans-134137.9179.4-179.30000111.8Y669 V703 S721Y669-S700 PolarHBondContact N-O 2.82Å; Y669-S700 PolarHBondContact O-N 3.26Å; S700-V703 VanDerWaalsContact CB-O 3.28Å; S700-V703 WeakPolarHBondContact CB-O 3.42Å; S700-V703 PolarHBondContact OG-O 3.14Å; S700-S721 WeakPolarHBondContact CA-O 3.22Å
701I97.4Very high90.4Very high0 Ų040.1 Ų40.10%026%0.262CS..EExtended strand (participates in β ladder)trans-98.1122.2176.3-56.3-177.2000109.8T608 H611 V612 M661 L666 V668 V703 T720 S721 T733T608-I701 HydrophobicContact CG2-CD1 3.87Å; H611-I701 HydrophobicContact CB-CD1 4.14Å; V612-I701 HydrophobicContact CG2-CD1 3.84Å; M661-I701 HydrophobicContact CE-CB 3.47Å; M661-I701 VanDerWaalsContact CE-CB 3.47Å; M661-I701 HydrophobicContact CE-CD1 3.61Å; M661-I701 HydrophobicContact CE-CG1 4.06Å; M661-I701 HydrophobicContact CE-CG2 3.39Å; L666-I701 HydrophobicContact CB-CG2 3.87Å; L666-I701 HydrophobicContact CD1-CG2 4.12Å; V668-I701 HydrophobicContact CG1-CG1 4.43Å; V668-I701 HydrophobicContact CG2-CG1 4.25Å; I701-V703 PolarHBondContact O-N 2.87Å; I701-T720 WeakPolarHBondContact O-CB 3.4Å; I701-T720 VanDerWaalsContact O-CG2 3.26Å; I701-T720 WeakPolarHBondContact O-CG2 3.32Å; I701-T720 PolarHBondContact O-OG1 2.99Å; I701-S721 PolarHBondContact N-O 3.19Å; I701-T733 HydrophobicContact CD1-CG2 4.46Å; I701-T733 HydrophobicContact CG2-CG2 3.31Å
702G96.1Very high91.1Very high28 Ų2836.3 Ų36.329%0.28923%0.229SC..SBendtrans83.2-24174.300000115.6N667N667-G702 PolarHBondContact O-N 3.19Å
703V95.3Very high91.4Very high23 Ų2342 Ų4214%0.13926%0.257CS..SBendtrans-114.8125.7-179.7-174.50000109.8Y669 S700 I701 V705 L708 Y716 T720Y669-V703 VanDerWaalsContact CD2-C 3.43Å; Y669-V703 VanDerWaalsContact CD2-O 3.29Å; Y669-V703 WeakPolarHBondContact CD2-O 3.42Å; S700-V703 VanDerWaalsContact CB-O 3.28Å; S700-V703 WeakPolarHBondContact CB-O 3.42Å; S700-V703 PolarHBondContact OG-O 3.14Å; I701-V703 PolarHBondContact O-N 2.87Å; V703-V705 PolarHBondContact O-N 3.1Å; V703-L708 HydrophobicContact CB-CD2 4.26Å; V703-L708 HydrophobicContact CG1-CD2 3.71Å; V703-L708 HydrophobicContact CG1-CG 3.96Å; V703-Y716 HydrophobicContact CG1-CD1 4.47Å; V703-Y716 HydrophobicContact CG1-CD2 4.18Å; V703-Y716 HydrophobicContact CG1-CE2 4.46Å; V703-Y716 HydrophobicContact CG1-CG 4.2Å; V703-Y716 HydrophobicContact CG2-CD1 3.88Å; V703-Y716 HydrophobicContact CG2-CE1 4.35Å; V703-Y716 HydrophobicContact CG2-CG 4.2Å; V703-T720 HydrophobicContact CG2-CG2 4.13Å
704P95.7Very high91.6Very high40 Ų4042 Ų4226%0.2626%0.255SS..  trans-58136.1174.9-25.234.7000111.8Y669 T706 S707 L708Y669-P704 HydrophobicContact CD1-CB 4.38Å; Y669-P704 HydrophobicContact CD2-CG 4.44Å; Y669-P704 HydrophobicContact CE1-CB 4.47Å; Y669-P704 HydrophobicContact CE1-CG 4.16Å; Y669-P704 HydrophobicContact CE2-CG 4.05Å; Y669-P704 HydrophobicContact CG-CB 4.44Å; P704-T706 PolarHBondContact O-N 3.22Å; P704-S707 WeakPolarHBondContact O-CA 3.32Å; P704-S707 WeakPolarHBondContact O-CB 3.48Å; P704-S707 PolarHBondContact O-N 3.4Å; P704-L708 PolarHBondContact O-N 3.09Å
705V93.5Very high91.6Very high5 Ų538.3 Ų38.33%0.0324%0.237CC..Hα-helixtrans-58.5-33.2177.8-179.80000111.3V673 V698 V703 S707 L708 V709V673-V705 HydrophobicContact CG2-CG1 3.77Å; V698-V705 HydrophobicContact CB-CG1 4.06Å; V698-V705 HydrophobicContact CG1-CG1 4.3Å; V698-V705 HydrophobicContact CG1-CG2 4.45Å; V703-V705 PolarHBondContact O-N 3.1Å; V705-S707 PolarHBondContact O-N 3.4Å; V705-L708 WeakPolarHBondContact O-CB 3.41Å; V705-L708 PolarHBondContact O-N 2.91Å; V705-V709 HydrophobicContact CG1-CG2 4.15Å; V705-V709 WeakPolarHBondContact O-CB 3.44Å; V705-V709 VanDerWaalsContact O-CG2 3.28Å; V705-V709 WeakPolarHBondContact O-CG2 3.48Å; V705-V709 PolarHBondContact O-N 2.92Å
706T92.8Very high91.4Very high102 Ų10239.2 Ų39.263%0.62623%0.232SC*.Hα-helixtrans-59.3-34.1173.451.50000113P704 A710P704-T706 PolarHBondContact O-N 3.22Å; T706-A710 VanDerWaalsContact O-CB 3.32Å; T706-A710 WeakPolarHBondContact O-CB 3.34Å; T706-A710 PolarHBondContact O-N 3.47Å
707S91.8Very high91Very high51 Ų5139.1 Ų39.136%0.35723%0.231SC..Hα-helixtrans-74.8-38.9176.4-58.90000111.6P704 V705 V709 A710 D711P704-S707 WeakPolarHBondContact O-CA 3.32Å; P704-S707 WeakPolarHBondContact O-CB 3.48Å; P704-S707 PolarHBondContact O-N 3.4Å; V705-S707 PolarHBondContact O-N 3.4Å; S707-V709 VanDerWaalsContact C-N 3.28Å; S707-V709 PolarHBondContact O-N 2.92Å; S707-A710 PolarHBondContact O-N 3.45Å; S707-D711 PolarHBondContact O-N 3.42Å; S707-D711 VanDerWaalsContact O-N 3.16Å
708L90.4Very high90.5Very high2 Ų244 Ų441%0.0125%0.254CS..Hα-helixtrans-63.7-36.5174.1-60.5176.2000112.2I681 V703 P704 V705 D711 P712 Y716 V722I681-L708 HydrophobicContact CD1-CB 4.13Å; I681-L708 HydrophobicContact CG2-CB 4.25Å; I681-L708 HydrophobicContact CG2-CD2 4.49Å; V703-L708 HydrophobicContact CB-CD2 4.26Å; V703-L708 HydrophobicContact CG1-CD2 3.71Å; V703-L708 HydrophobicContact CG1-CG 3.96Å; P704-L708 PolarHBondContact O-N 3.09Å; V705-L708 WeakPolarHBondContact O-CB 3.41Å; V705-L708 PolarHBondContact O-N 2.91Å; L708-D711 CarbonylContact O-C 3.51Å; L708-P712 WeakPolarHBondContact O-CA 3.22Å; L708-Y716 VanDerWaalsContact CD2-CB 3.42Å; L708-Y716 HydrophobicContact CD2-CD2 3.84Å; L708-Y716 HydrophobicContact CD2-CG 3.97Å; L708-V722 HydrophobicContact CD1-CB 4.38Å; L708-V722 HydrophobicContact CD1-CG1 3.55Å; L708-V722 HydrophobicContact CD1-CG2 3.83Å; L708-V722 HydrophobicContact CD2-CG2 4.34Å
709V87.8Confident90.2Very high41 Ų4148.6 Ų48.625%0.24828%0.281CS..Hα-helixtrans-75.3-36.1176.5170.30000110.6V673 Y677 V705 S707 D711V673-V709 HydrophobicContact CG1-CG2 3.87Å; V673-V709 HydrophobicContact CG2-CG2 3.73Å; Y677-V709 HydrophobicContact CD1-CG1 3.87Å; Y677-V709 HydrophobicContact CD1-CG2 4.47Å; Y677-V709 HydrophobicContact CE1-CB 4.07Å; Y677-V709 HydrophobicContact CE1-CG1 3.45Å; Y677-V709 VanDerWaalsContact CE1-CG1 3.45Å; Y677-V709 HydrophobicContact CE1-CG2 4.47Å; Y677-V709 WeakPolarHBondContact CE1-O 3.5Å; Y677-V709 PolarHBondContact OH-O 3.24Å; V705-V709 HydrophobicContact CG1-CG2 4.15Å; V705-V709 WeakPolarHBondContact O-CB 3.44Å; V705-V709 VanDerWaalsContact O-CG2 3.28Å; V705-V709 WeakPolarHBondContact O-CG2 3.48Å; V705-V709 PolarHBondContact O-N 2.92Å; S707-V709 VanDerWaalsContact C-N 3.28Å; S707-V709 PolarHBondContact O-N 2.92Å; V709-D711 VanDerWaalsContact C-N 3.3Å; V709-D711 PolarHBondContact O-N 3.26Å
710A89.4Confident90Very high83 Ų8349.1 Ų49.169%0.68629%0.285SS*.Hα-helixtrans-67.3-31.5178.400000113.1T706 S707T706-A710 VanDerWaalsContact O-CB 3.32Å; T706-A710 WeakPolarHBondContact O-CB 3.34Å; T706-A710 PolarHBondContact O-N 3.47Å; S707-A710 PolarHBondContact O-N 3.45Å
711D87.8Confident89.9Confident81 Ų8149.1 Ų49.143%0.43329%0.285SS..  trans-142.882.4178-174.76.8000110.5S707 L708 V709 E713 T714S707-D711 PolarHBondContact O-N 3.42Å; S707-D711 VanDerWaalsContact O-N 3.16Å; L708-D711 CarbonylContact O-C 3.51Å; V709-D711 VanDerWaalsContact C-N 3.3Å; V709-D711 PolarHBondContact O-N 3.26Å; D711-E713 PolarHBondContact O-N 3.17Å; D711-E713 PolarHBondContact OD1-N 3.07Å; D711-T714 WeakPolarHBondContact CB-OG1 3.4Å; D711-T714 PolarHBondContact O-OG1 2.91Å; D711-T714 PolarHBondContact OD2-OG1 2.81Å
712P83.8Confident89.8Confident20 Ų2049.1 Ų49.113%0.1329%0.285CS..G310 helixtrans-67.3-16.7-177.426-33.4000113.1T680 I681 Q682 L708T680-P712 WeakPolarHBondContact OG1-CB 3.28Å; I681-P712 HydrophobicContact CG1-CB 4.24Å; Q682-P712 WeakPolarHBondContact CB-O 3.44Å; Q682-P712 PolarHBondContact N-O 2.94Å; L708-P712 WeakPolarHBondContact O-CA 3.22Å
713E87.1Confident89.7Confident162 Ų16248.2 Ų48.276%0.75727%0.273SS*.G310 helixtrans-90.8-8.7-174.7-63.1-172.8175.300113.9Q682 D711 G715Q682-E713 PolarHBondContact OE1-O 3Å; D711-E713 PolarHBondContact O-N 3.17Å; D711-E713 PolarHBondContact OD1-N 3.07Å; E713-G715 PolarHBondContact O-N 3.23Å
714T84.8Confident89.7Confident64 Ų6447.9 Ų47.939%0.39327%0.27SS..G310 helixtrans-59.6-19.9-179.5-31.30000113.4D711 Y716D711-T714 WeakPolarHBondContact CB-OG1 3.4Å; D711-T714 PolarHBondContact O-OG1 2.91Å; D711-T714 PolarHBondContact OD2-OG1 2.81Å; T714-Y716 HydrophobicContact CG2-CD2 3.97Å; T714-Y716 HydrophobicContact CG2-CE1 4.47Å; T714-Y716 HydrophobicContact CG2-CE2 3.49Å; T714-Y716 VanDerWaalsContact CG2-CE2 3.49Å
715G83.6Confident89.7Confident6 Ų646.7 Ų46.76%0.06226%0.262CS..  trans80.617.2178.700000114.6E713 G717 K718E713-G715 PolarHBondContact O-N 3.23Å; G715-G717 PolarHBondContact O-N 3.44Å; G715-G717 VanDerWaalsContact O-N 3.12Å; G715-K718 VanDerWaalsContact O-CB 3.3Å; G715-K718 WeakPolarHBondContact O-CB 3.47Å; G715-K718 PolarHBondContact O-N 2.96Å
716Y85.3Confident89.6Confident91 Ų9148.4 Ų48.436%0.35728%0.281SS..Hα-helixtrans-53.6-34179.3-76.3-62.6000113.3V703 L708 T714 K718 T719 T720V703-Y716 HydrophobicContact CG1-CD1 4.47Å; V703-Y716 HydrophobicContact CG1-CD2 4.18Å; V703-Y716 HydrophobicContact CG1-CE2 4.46Å; V703-Y716 HydrophobicContact CG1-CG 4.2Å; V703-Y716 HydrophobicContact CG2-CD1 3.88Å; V703-Y716 HydrophobicContact CG2-CE1 4.35Å; V703-Y716 HydrophobicContact CG2-CG 4.2Å; L708-Y716 VanDerWaalsContact CD2-CB 3.42Å; L708-Y716 HydrophobicContact CD2-CD2 3.84Å; L708-Y716 HydrophobicContact CD2-CG 3.97Å; T714-Y716 HydrophobicContact CG2-CD2 3.97Å; T714-Y716 HydrophobicContact CG2-CE1 4.47Å; T714-Y716 HydrophobicContact CG2-CE2 3.49Å; T714-Y716 VanDerWaalsContact CG2-CE2 3.49Å; Y716-K718 PolarHBondContact O-N 3.4Å; Y716-K718 VanDerWaalsContact O-N 3.11Å; Y716-T719 PolarHBondContact O-N 2.8Å; Y716-T719 PolarHBondContact O-OG1 3.37Å; Y716-T720 PolarHBondContact O-N 3.18Å
717G82.3Confident89.7Confident0 Ų043.5 Ų43.50%025%0.251CS..Hα-helixtrans-61.5-17.3176.300000114.7Q682 R685 G715 T720Q682-G717 WeakPolarHBondContact O-CA 3.39Å; Q682-G717 PolarHBondContact O-N 2.93Å; R685-G717 PolarHBondContact NH1-O 3.03Å; G715-G717 PolarHBondContact O-N 3.44Å; G715-G717 VanDerWaalsContact O-N 3.12Å; G717-T720 CarbonylContact C-O 3.4Å
718K84.9Confident90Very high126 Ų12641.1 Ų41.155%0.54823%0.234SC..Hα-helixtrans-84-21.1171.6-60.7175.7175.9167.90113.1Q682 G715 Y716Q682-K718 VanDerWaalsContact CD-NZ 3.35Å; G715-K718 VanDerWaalsContact O-CB 3.3Å; G715-K718 WeakPolarHBondContact O-CB 3.47Å; G715-K718 PolarHBondContact O-N 2.96Å; Y716-K718 PolarHBondContact O-N 3.4Å; Y716-K718 VanDerWaalsContact O-N 3.11Å
719T89.2Confident90.4Very high95 Ų9541.2 Ų41.258%0.58323%0.234SC*.Hα-helixtrans-107.1-11.8-174.464.60000114.2F615 Y716F615-T719 WeakPolarHBondContact CZ-O 3.41Å; Y716-T719 PolarHBondContact O-N 2.8Å; Y716-T719 PolarHBondContact O-OG1 3.37Å
720T93Very high90.9Very high11 Ų1139.3 Ų39.37%0.06722%0.223CC..SBendtrans-150.1175.1174.3-168.90000110.5F615 M661 R685 I701 V703 Y716 G717 V722F615-T720 WeakPolarHBondContact CD2-O 3.48Å; F615-T720 VanDerWaalsContact CE2-N 3.34Å; M661-T720 WeakPolarHBondContact CE-OG1 3.46Å; R685-T720 PolarHBondContact NH1-O 3.03Å; R685-T720 VanDerWaalsContact NH1-O 3.16Å; I701-T720 WeakPolarHBondContact O-CB 3.4Å; I701-T720 VanDerWaalsContact O-CG2 3.26Å; I701-T720 WeakPolarHBondContact O-CG2 3.32Å; I701-T720 PolarHBondContact O-OG1 2.99Å; V703-T720 HydrophobicContact CG2-CG2 4.13Å; Y716-T720 PolarHBondContact O-N 3.18Å; G717-T720 CarbonylContact C-O 3.4Å; T720-V722 HydrophobicContact CG2-CG2 4.02Å; T720-V722 PolarHBondContact O-N 3Å
721S94.9Very high91.3Very high0 Ų038.1 Ų38.10%021%0.205CC..  trans-75.4123171.1174.20000110.4H611 S700 I701 E723H611-S721 WeakPolarHBondContact CB-OG 3.38Å; S700-S721 WeakPolarHBondContact CA-O 3.22Å; I701-S721 PolarHBondContact N-O 3.19Å; S721-E723 WeakPolarHBondContact OG-CG 3.26Å; S721-E723 PolarHBondContact OG-OE1 3.37Å
722V95.8Very high91.8Very high0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans-137.7115.8170.9-175.40000106.4I681 V684 R685 V698 V699 L708 T720I681-V722 HydrophobicContact CG2-CG1 4.26Å; V684-V722 WeakPolarHBondContact CA-O 3.29Å; V684-V722 HydrophobicContact CB-CG1 4.41Å; V684-V722 HydrophobicContact CG2-CG1 4.04Å; R685-V722 PolarHBondContact N-O 3.47Å; V698-V722 HydrophobicContact CG1-CG1 3.9Å; V699-V722 CarbonylContact O-C 3.46Å; V699-V722 WeakPolarHBondContact O-CA 3.42Å; L708-V722 HydrophobicContact CD1-CB 4.38Å; L708-V722 HydrophobicContact CD1-CG1 3.55Å; L708-V722 HydrophobicContact CD1-CG2 3.83Å; L708-V722 HydrophobicContact CD2-CG2 4.34Å; T720-V722 HydrophobicContact CG2-CG2 4.02Å; T720-V722 PolarHBondContact O-N 3Å
723E95.2Very high92.4Very high10 Ų1034.3 Ų34.35%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-142.7151.2-171.2-35.6-161.7-164.300111.5H611 N614 R685 V699 S721 C725H611-E723 WeakPolarHBondContact CA-OE1 3.37Å; H611-E723 IonicContact CG-OE1 2.68Å; H611-E723 IonicContact ND1-OE1 3.63Å; N614-E723 PolarHBondContact ND2-OE2 3.45Å; R685-E723 HydrophobicContact CB-CB 4.05Å; R685-E723 HydrophobicContact CB-CG 3.82Å; R685-E723 HydrophobicContact CG-CG 4.32Å; R685-E723 CarbonylContact O-C 3.56Å; R685-E723 VanDerWaalsContact O-CA 3.26Å; R685-E723 WeakPolarHBondContact O-CA 3.33Å; V699-E723 PolarHBondContact N-O 2.9Å; V699-E723 PolarHBondContact O-N 3.24Å; S721-E723 WeakPolarHBondContact OG-CG 3.26Å; S721-E723 PolarHBondContact OG-OE1 3.37Å; E723-C725 PolarHBondContact O-N 3.16Å
724F94.8Very high92.9Very high16 Ų1630 Ų307%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-75.3116.7164.3-62.6-11.8000108.7L675 A678 K679 V684 R685 A686 Y692 V696 R697 V698L675-F724 HydrophobicContact CD1-CD2 4.42Å; L675-F724 HydrophobicContact CD1-CE2 3.89Å; L675-F724 HydrophobicContact CD1-CZ 4.46Å; A678-F724 HydrophobicContact CB-CD1 4.49Å; A678-F724 HydrophobicContact CB-CE1 3.49Å; A678-F724 VanDerWaalsContact CB-CE1 3.49Å; A678-F724 HydrophobicContact CB-CZ 3.68Å; K679-F724 HydrophobicContact CG-CE2 4Å; K679-F724 HydrophobicContact CG-CZ 3.98Å; V684-F724 HydrophobicContact CG1-CE1 4.36Å; V684-F724 HydrophobicContact CG1-CZ 4.34Å; V684-F724 HydrophobicContact CG2-CD1 3.77Å; V684-F724 HydrophobicContact CG2-CE1 3.49Å; V684-F724 VanDerWaalsContact CG2-CE1 3.49Å; V684-F724 HydrophobicContact CG2-CZ 4.23Å; R685-F724 PolarHBondContact O-N 3.06Å; A686-F724 HydrophobicContact CB-CD2 3.65Å; A686-F724 HydrophobicContact CB-CE2 4.03Å; A686-F724 HydrophobicContact CB-CG 4.32Å; Y692-F724 HydrophobicContact CD1-CB 3.81Å; Y692-F724 HydrophobicContact CD1-CD2 4.12Å; Y692-F724 HydrophobicContact CD1-CG 4.43Å; Y692-F724 AromaticContact CD2-CD2 3.87Å; Y692-F724 HydrophobicContact CD2-CD2 3.87Å; Y692-F724 HydrophobicContact CE1-CB 3.62Å; Y692-F724 HydrophobicContact CE1-CD2 4.31Å; Y692-F724 HydrophobicContact CE1-CG 4.5Å; Y692-F724 HydrophobicContact CE2-CD2 4.05Å; Y692-F724 HydrophobicContact CG-CB 4.47Å; Y692-F724 AromaticContact CG-CD2 3.93Å; Y692-F724 HydrophobicContact CG-CD2 3.93Å; V696-F724 HydrophobicContact CG1-CD1 4.26Å; V696-F724 HydrophobicContact CG1-CE1 4.19Å; V696-F724 HydrophobicContact CG1-CZ 4.37Å; V696-F724 HydrophobicContact CG2-CB 3.87Å; V696-F724 HydrophobicContact CG2-CD1 4.17Å; V696-F724 HydrophobicContact CG2-CD2 4.01Å; V696-F724 HydrophobicContact CG2-CG 3.75Å; R697-F724 WeakPolarHBondContact O-CA 3.39Å; V698-F724 HydrophobicContact CG2-CD1 3.99Å; V698-F724 HydrophobicContact CG2-CE1 4.04Å
725C94.6Very high93.4Very high14 Ų1427.8 Ų27.810%0.09515%0.147CC..  trans-152.2124.1-177.1-172.60000113H607 R697 V699 E723 G727 H729H607-C725 VanDerWaalsContact CE1-SG 3.58Å; H607-C725 PolarHBondContact NE2-SG 2.89Å; R697-C725 WeakPolarHBondContact CG-O 3.39Å; R697-C725 PolarHBondContact NH1-O 3.05Å; R697-C725 PolarHBondContact O-N 3.17Å; V699-C725 HydrophobicContact CB-CB 4.39Å; V699-C725 HydrophobicContact CG2-CB 3.93Å; E723-C725 PolarHBondContact O-N 3.16Å; C725-G727 VanDerWaalsContact C-N 3.32Å; C725-G727 PolarHBondContact SG-N 3.26Å; C725-H729 PolarHBondContact SG-NE2 3.4Å; C725-H729 VanDerWaalsContact SG-NE2 3.36Å
726G93.1Very high94.1Very high41 Ų4127.5 Ų27.542%0.42314%0.144SC..  trans-84-1.7173.400000114.3F491 Y540F491-G726 VanDerWaalsContact CE1-O 3.24Å; F491-G726 WeakPolarHBondContact CE1-O 3.47Å; F491-G726 WeakPolarHBondContact CZ-O 3.5Å; Y540-G726 WeakPolarHBondContact CE2-O 3.47Å
727G95.1Very high94.5Very high0 Ų024.4 Ų24.40%014%0.14CC..SBendtrans-77.3169.3-173.600000116.4F491 R697 C725 H729F491-G727 WeakPolarHBondContact CE1-O 3.42Å; R697-G727 PolarHBondContact NH1-O 3.37Å; C725-G727 VanDerWaalsContact C-N 3.32Å; C725-G727 PolarHBondContact SG-N 3.26Å; G727-H729 PolarHBondContact O-CD2 2.7Å; G727-H729 VanDerWaalsContact O-CD2 3.28Å
728T97.8Very high95.1Very high0 Ų025.7 Ų25.70%015%0.148CC..  trans-88.4137.9171.658.60000110.6Y493 Y540 Q546 M604Y493-T728 HydrophobicContact CE1-CG2 4.45Å; Y540-T728 HydrophobicContact CD2-CG2 4.13Å; Q546-T728 PolarHBondContact NE2-OG1 3.46Å; Q546-T728 PolarHBondContact OE1-OG1 2.97Å; Q546-T728 VanDerWaalsContact OE1-OG1 3.11Å; M604-T728 WeakPolarHBondContact CG-OG1 3.47Å
729H98.1Very high95.7Very high5 Ų520.2 Ų20.22%0.02312%0.124CC..  trans-132.4148.8-172.3-70.6-78.7000111.9Y493 M604 H607 T608 H611 V668 C725 G727Y493-H729 WeakPolarHBondContact CE2-O 3.34Å; Y493-H729 PolarHBondContact OH-N 2.78Å; Y493-H729 VanDerWaalsContact OH-N 3.14Å; Y493-H729 PolarHBondContact OH-O 2.69Å; M604-H729 WeakPolarHBondContact CE-O 3.37Å; H607-H729 AromaticContact CD2-CE1 3.46Å; H607-H729 PolarHBondContact CD2-CE1 3.17Å; H607-H729 VanDerWaalsContact CD2-CE1 3.46Å; H607-H729 AromaticContact CG-CE1 3.71Å; H607-H729 AromaticContact NE2-CE1 3.93Å; T608-H729 WeakPolarHBondContact OG1-CB 3.09Å; T608-H729 PolarHBondContact OG1-ND1 2.99Å; H611-H729 AromaticContact CD2-CE1 3.83Å; H611-H729 AromaticContact CE1-CE1 3.46Å; H611-H729 PolarHBondContact CE1-CE1 2.96Å; H611-H729 VanDerWaalsContact CE1-CE1 3.46Å; H611-H729 AromaticContact CE1-NE2 3.9Å; H611-H729 AromaticContact ND1-CE1 4Å; H611-H729 AromaticContact NE2-CE1 3.31Å; H611-H729 PolarHBondContact NE2-CE1 3.2Å; H611-H729 VanDerWaalsContact NE2-CE1 3.31Å; H611-H729 AromaticContact NE2-NE2 3.95Å; V668-H729 HydrophobicContact CG1-CB 4.1Å; C725-H729 PolarHBondContact SG-NE2 3.4Å; C725-H729 VanDerWaalsContact SG-NE2 3.36Å; G727-H729 PolarHBondContact O-CD2 2.7Å; G727-H729 VanDerWaalsContact O-CD2 3.28Å
730V98.1Very high96.1Very high0 Ų016 Ų160%010%0.098CC..  trans-61.2143.2165.8-68.30000110.8Y501 M604 R605 T608 V668 N732 H735 I736Y501-V730 HydrophobicContact CE2-CG1 4.25Å; Y501-V730 WeakPolarHBondContact OH-CA 3.34Å; Y501-V730 WeakPolarHBondContact OH-CB 3.4Å; Y501-V730 WeakPolarHBondContact OH-CG1 3.46Å; M604-V730 HydrophobicContact CB-CG1 4.05Å; R605-V730 HydrophobicContact CG-CG1 3.87Å; T608-V730 HydrophobicContact CG2-CG2 3.78Å; T608-V730 WeakPolarHBondContact OG1-CG2 3.37Å; T608-V730 PolarHBondContact OG1-N 3.05Å; T608-V730 VanDerWaalsContact OG1-N 3.14Å; V668-V730 WeakPolarHBondContact CB-O 3.47Å; V668-V730 WeakPolarHBondContact CG2-O 3.29Å; V730-N732 VanDerWaalsContact C-N 3.29Å; V730-N732 WeakPolarHBondContact CG2-O 3.45Å; V730-N732 PolarHBondContact O-N 2.97Å; V730-H735 HydrophobicContact CB-CB 3.92Å; V730-H735 HydrophobicContact CG1-CB 3.95Å; V730-H735 HydrophobicContact CG2-CB 4.4Å; V730-I736 HydrophobicContact CG2-CG1 3.74Å
731L97.7Very high96.3Very high59 Ų5915.5 Ų15.531%0.30910%0.095SC..SBendtrans-74.5-17.9-178.2-65.6176000113.6Y493 Y501 N667 V668Y493-L731 HydrophobicContact CD2-CD1 4.39Å; Y493-L731 HydrophobicContact CD2-CD2 4.41Å; Y493-L731 HydrophobicContact CD2-CG 4.34Å; Y493-L731 HydrophobicContact CE2-CD2 3.98Å; Y493-L731 HydrophobicContact CE2-CG 4.16Å; Y501-L731 HydrophobicContact CE1-CB 4.5Å; Y501-L731 HydrophobicContact CE1-CD1 4.22Å; Y501-L731 HydrophobicContact CE1-CG 4Å; Y501-L731 PolarHBondContact OH-N 3.04Å; N667-L731 WeakPolarHBondContact CA-O 3.41Å; V668-L731 PolarHBondContact N-O 3.32Å
732N97.8Very high96.3Very high21 Ų2116.4 Ų16.411%0.11210%0.101CC..BIsolated β-bridgetrans-143.5139.6177.9-168.7-78.7000110.3R665 L666 N667 V730 K734 H735R665-N732 VanDerWaalsContact C-OD1 3.28Å; R665-N732 VanDerWaalsContact CA-OD1 3.31Å; R665-N732 WeakPolarHBondContact CA-OD1 3.3Å; R665-N732 PolarHBondContact O-ND2 3.44Å; R665-N732 PolarHBondContact O-OD1 3.36Å; L666-N732 CarbonylContact O-C 3.46Å; L666-N732 VanDerWaalsContact O-CA 3.31Å; L666-N732 WeakPolarHBondContact O-CA 3.3Å; L666-N732 PolarHBondContact O-ND2 3.35Å; N667-N732 PolarHBondContact OD1-ND2 2.98Å; V730-N732 VanDerWaalsContact C-N 3.29Å; V730-N732 WeakPolarHBondContact CG2-O 3.45Å; V730-N732 PolarHBondContact O-N 2.97Å; N732-K734 PolarHBondContact O-N 3.11Å; N732-K734 WeakPolarHBondContact OD1-CB 3.36Å; N732-K734 PolarHBondContact OD1-N 2.9Å; N732-H735 WeakPolarHBondContact O-CB 3.43Å; N732-H735 PolarHBondContact O-N 2.9Å
733T97.4Very high96.1Very high0 Ų017.7 Ų17.70%011%0.11CC..G310 helixtrans-61-27-177.559.10000113.2M661 I662 L666 V668 I701 H735 I736M661-T733 PolarHBondContact O-OG1 3.2Å; I662-T733 PolarHBondContact O-OG1 3.35Å; L666-T733 HydrophobicContact CB-CG2 4.06Å; L666-T733 PolarHBondContact N-OG1 3.3Å; L666-T733 PolarHBondContact O-N 2.84Å; V668-T733 HydrophobicContact CG2-CG2 4.41Å; I701-T733 HydrophobicContact CD1-CG2 4.46Å; I701-T733 HydrophobicContact CG2-CG2 3.31Å; T733-H735 PolarHBondContact O-N 3.47Å; T733-H735 VanDerWaalsContact O-N 3.17Å; T733-I736 WeakPolarHBondContact O-CB 3.46Å; T733-I736 VanDerWaalsContact O-CG1 3.29Å; T733-I736 WeakPolarHBondContact O-CG1 3.48Å; T733-I736 PolarHBondContact O-N 3.41Å; T733-I736 VanDerWaalsContact O-N 3.14Å
734K96.8Very high96.1Very high72 Ų7218 Ų1831%0.31311%0.111SC..G310 helixtrans-54.5-34.1172.1-177-167.8166.8-161.50112.1L497 R665 N732 I736 G737L497-K734 PolarHBondContact O-NZ 3.26Å; R665-K734 HydrophobicContact CB-CB 4.27Å; R665-K734 HydrophobicContact CG-CB 4.07Å; R665-K734 HydrophobicContact CG-CD 4.5Å; R665-K734 HydrophobicContact CG-CG 4.44Å; N732-K734 PolarHBondContact O-N 3.11Å; N732-K734 WeakPolarHBondContact OD1-CB 3.36Å; N732-K734 PolarHBondContact OD1-N 2.9Å; K734-I736 PolarHBondContact O-N 3.48Å; K734-G737 PolarHBondContact O-N 2.98Å; K734-G737 VanDerWaalsContact O-N 3.13Å
735H96.8Very high95.8Very high16 Ų1621.8 Ų21.87%0.07413%0.129CC..G310 helixtrans-74.3-10.6-174.6-58.5165.4000113.2S495 D496 G499 Y501 R605 V730 N732 T733 G737S495-H735 PolarHBondContact OG-CE1 3.49Å; D496-H735 PolarHBondContact O-CE1 2.95Å; G499-H735 PolarHBondContact N-NE2 3.01Å; Y501-H735 HydrophobicContact CE2-CB 4.37Å; Y501-H735 AromaticContact CE2-ND1 3.99Å; Y501-H735 AromaticContact CZ-ND1 3.78Å; Y501-H735 PolarHBondContact OH-ND1 3.02Å; R605-H735 WeakPolarHBondContact CD-O 3.42Å; R605-H735 VanDerWaalsContact CG-O 3.28Å; R605-H735 WeakPolarHBondContact CG-O 3.4Å; R605-H735 PolarHBondContact NE-O 3.46Å; V730-H735 HydrophobicContact CB-CB 3.92Å; V730-H735 HydrophobicContact CG1-CB 3.95Å; V730-H735 HydrophobicContact CG2-CB 4.4Å; N732-H735 WeakPolarHBondContact O-CB 3.43Å; N732-H735 PolarHBondContact O-N 2.9Å; T733-H735 PolarHBondContact O-N 3.47Å; T733-H735 VanDerWaalsContact O-N 3.17Å; H735-G737 PolarHBondContact O-N 3.32Å
736I97.2Very high95.4Very high0 Ų024 Ų240%015%0.149CC..G310 helixtrans-62.4-32.1168.3-57.2176.8000110.3T608 V612 I662 V730 T733 K734 T758 G759T608-I736 HydrophobicContact CG2-CD1 3.62Å; T608-I736 HydrophobicContact CG2-CG1 4.18Å; V612-I736 HydrophobicContact CG2-CD1 3.8Å; I662-I736 HydrophobicContact CD1-CB 4.19Å; I662-I736 HydrophobicContact CD1-CD1 4.43Å; I662-I736 HydrophobicContact CD1-CG2 3.9Å; I662-I736 HydrophobicContact CG1-CB 4.32Å; I662-I736 HydrophobicContact CG1-CD1 4.08Å; V730-I736 HydrophobicContact CG2-CG1 3.74Å; T733-I736 WeakPolarHBondContact O-CB 3.46Å; T733-I736 VanDerWaalsContact O-CG1 3.29Å; T733-I736 WeakPolarHBondContact O-CG1 3.48Å; T733-I736 PolarHBondContact O-N 3.41Å; T733-I736 VanDerWaalsContact O-N 3.14Å; K734-I736 PolarHBondContact O-N 3.48Å; I736-T758 HydrophobicContact CG2-CG2 3.77Å; I736-G759 PolarHBondContact O-N 3.32Å
737G94.1Very high94.6Very high26 Ų2625.7 Ų25.727%0.26815%0.147SC..  trans84.6-111.2-174.600000110.5I662 K734 H735I662-G737 VanDerWaalsContact CG2-O 3.32Å; I662-G737 WeakPolarHBondContact CG2-O 3.38Å; K734-G737 PolarHBondContact O-N 2.98Å; K734-G737 VanDerWaalsContact O-N 3.13Å; H735-G737 PolarHBondContact O-N 3.32Å
738V93.9Very high93.5Very high28 Ų2827 Ų2717%0.1716%0.156CC..  trans-119.6147.4175.4177.20000107.7V740 T758 A762 Q766V738-V740 HydrophobicContact CG1-CG2 3.92Å; V738-T758 VanDerWaalsContact O-CA 3.23Å; V738-T758 WeakPolarHBondContact O-CA 3.3Å; V738-A762 HydrophobicContact CB-CB 4.07Å; V738-A762 HydrophobicContact CG1-CB 4.38Å; V738-A762 WeakPolarHBondContact O-CB 3.48Å; V738-Q766 HydrophobicContact CG1-CG 4.3Å; V738-Q766 VanDerWaalsContact CG1-NE2 3.26Å
739L97.7Very high92.2Very high10 Ų1029.6 Ų29.65%0.05217%0.167CC..  trans-108.8125.6169.2-171.3151.1000109.8G609 L613 C658 I662 I741 A756 L757 T758G609-L739 WeakPolarHBondContact O-CD1 3.36Å; L613-L739 HydrophobicContact CB-CD1 4.28Å; C658-L739 HydrophobicContact CB-CB 4.32Å; C658-L739 HydrophobicContact CB-CD1 4.42Å; C658-L739 HydrophobicContact CB-CD2 4.31Å; I662-L739 HydrophobicContact CD1-CB 4.11Å; L739-I741 HydrophobicContact CD2-CG1 3.96Å; L739-A756 HydrophobicContact CD2-CB 4.08Å; L739-A756 HydrophobicContact CG-CB 4.39Å; L739-L757 WeakPolarHBondContact CA-O 3.43Å; L739-T758 HydrophobicContact CD1-CG2 4.46Å; L739-T758 HydrophobicContact CG-CG2 4.42Å
740V97.7Very high91.3Very high6 Ų630.5 Ų30.54%0.03618%0.178CC..EExtended strand (participates in β ladder)trans-124116.2179.2174.70000110.6E655 V738 V742 A756 L757 A762 A765 Q766E655-V740 VanDerWaalsContact OE1-CA 3.25Å; E655-V740 WeakPolarHBondContact OE1-CA 3.46Å; V738-V740 HydrophobicContact CG1-CG2 3.92Å; V740-V742 HydrophobicContact CG1-CG2 4.33Å; V740-V742 PolarHBondContact O-N 3.28Å; V740-A756 CarbonylContact O-C 3.34Å; V740-A756 WeakPolarHBondContact O-CA 3.41Å; V740-A756 WeakPolarHBondContact O-CB 3.33Å; V740-L757 PolarHBondContact N-O 2.85Å; V740-L757 PolarHBondContact O-N 3.01Å; V740-A762 HydrophobicContact CB-CB 4.33Å; V740-A762 HydrophobicContact CG2-CB 3.95Å; V740-A765 HydrophobicContact CG1-CB 4.14Å; V740-Q766 HydrophobicContact CG2-CG 4.08Å
741I98.2Very high90.8Very high1 Ų131.5 Ų31.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-78.2101.6173.5-60.6175.4000109.2L613 L651 A654 E655 L739 I754 A756 S820 Q821L613-I741 HydrophobicContact CD1-CD1 3.9Å; L613-I741 HydrophobicContact CD1-CG1 4.38Å; L651-I741 HydrophobicContact CD2-CG2 4.11Å; A654-I741 HydrophobicContact CB-CD1 3.87Å; E655-I741 HydrophobicContact CG-CB 4.16Å; E655-I741 HydrophobicContact CG-CD1 3.84Å; E655-I741 HydrophobicContact CG-CG1 3.84Å; E655-I741 PolarHBondContact OE1-N 3.18Å; L739-I741 HydrophobicContact CD2-CG1 3.96Å; I741-I754 HydrophobicContact CG1-CG2 4.25Å; I741-I754 HydrophobicContact CG2-CG1 4.35Å; I741-I754 HydrophobicContact CG2-CG2 3.87Å; I741-A756 HydrophobicContact CG1-CB 4.36Å; I741-S820 CarbonylContact O-C 3.58Å; I741-S820 WeakPolarHBondContact O-CA 3.34Å; I741-Q821 PolarHBondContact O-N 3.18Å
742V93.8Very high90.5Very high19 Ų1930.9 Ų30.912%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-79-34.7-176.5174.60000112V740 I755 L757 V818 R824V740-V742 HydrophobicContact CG1-CG2 4.33Å; V740-V742 PolarHBondContact O-N 3.28Å; V742-I755 PolarHBondContact N-O 2.93Å; V742-L757 HydrophobicContact CG2-CD1 3.53Å; V742-L757 HydrophobicContact CG2-CD2 4.46Å; V742-L757 HydrophobicContact CG2-CG 3.6Å; V742-V818 HydrophobicContact CG1-CG1 3.96Å; V742-V818 HydrophobicContact CG2-CG1 4.02Å; V742-R824 PolarHBondContact O-NH1 3.28Å; V742-R824 PolarHBondContact O-NH2 3Å
743S92.4Very high90.3Very high27 Ų2732.5 Ų32.519%0.18918%0.182CC..EExtended strand (participates in β ladder)trans-156144.218060.50000112.6I754 I755S743-I754 CarbonylContact O-C 3.59Å; S743-I754 VanDerWaalsContact O-CA 3.29Å; S743-I754 WeakPolarHBondContact O-CA 3.32Å; S743-I755 PolarHBondContact N-O 3.26Å; S743-I755 PolarHBondContact O-N 3.01Å
744E95.3Very high90.3Very high16 Ų1632.5 Ų32.58%0.07518%0.182CC..EExtended strand (participates in β ladder)trans-123.3121.1167.2-172.2-71.6102.900107.6M646 L651 R752 R753 I754M646-E744 HydrophobicContact CB-CG 4.32Å; M646-E744 HydrophobicContact CG-CG 4.37Å; M646-E744 PolarHBondContact N-OE2 3.26Å; M646-E744 VanDerWaalsContact N-OE2 3.16Å; M646-E744 HydrophobicContact SD-CG 4.45Å; L651-E744 HydrophobicContact CD1-CB 4.35Å; L651-E744 HydrophobicContact CD2-CB 3.83Å; L651-E744 HydrophobicContact CD2-CG 4.13Å; E744-R752 VanDerWaalsContact CD-NE 3.31Å; E744-R752 IonicContact OE1-CZ 3.3Å; E744-R752 VanDerWaalsContact OE1-CZ 3.25Å; E744-R752 IonicContact OE1-NE 3.07Å; E744-R752 PolarHBondContact OE1-NE 3.33Å; E744-R752 IonicContact OE1-NH2 3.74Å; E744-R752 PolarHBondContact OE1-NH2 3.28Å; E744-R752 IonicContact OE2-CZ 3.87Å; E744-R752 IonicContact OE2-NE 3.98Å; E744-R752 PolarHBondContact OE2-NE 3.38Å; E744-R752 IonicContact OE2-NH2 3.92Å; E744-R752 PolarHBondContact OE2-NH2 2.97Å; E744-R753 CarbonylContact C-O 3.53Å; E744-R753 VanDerWaalsContact CA-O 3.24Å; E744-R753 WeakPolarHBondContact CA-O 3.36Å; E744-I754 HydrophobicContact CB-CG1 4.08Å; E744-I754 HydrophobicContact CG-CD1 4.49Å; E744-I754 HydrophobicContact CG-CG1 3.96Å
745E88.4Confident90.2Very high97 Ų9731 Ų3145%0.45318%0.177SC..EExtended strand (participates in β ladder)trans-139.2153179.263.9-177.5-174.100113.2R752 R753E745-R752 CarbonylContact O-C 3.51Å; E745-R752 WeakPolarHBondContact O-CA 3.29Å; E745-R753 HydrophobicContact CG-CB 4.11Å; E745-R753 PolarHBondContact N-O 3.19Å; E745-R753 PolarHBondContact O-N 2.78Å
746A85.1Confident90.2Very high61 Ų6130.3 Ų30.350%0.50417%0.174SC..EExtended strand (participates in β ladder)trans-77.4124.6172.200000110.4
747I77.2Confident90.2Very high76 Ų7631 Ų3139%0.3918%0.178SC..EExtended strand (participates in β ladder)trans-85.7-43.2171.9-48.5173.9000109.6D639 V751 R753D639-I747 HydrophobicContact CB-CD1 3.89Å; D639-I747 WeakPolarHBondContact OD1-CD1 3.36Å; D639-I747 WeakPolarHBondContact OD2-CD1 3.44Å; I747-V751 HydrophobicContact CD1-CG1 4.08Å; I747-V751 PolarHBondContact N-O 3.42Å; I747-R753 HydrophobicContact CD1-CB 3.74Å; I747-R753 HydrophobicContact CG1-CB 3.61Å
748S71.1Confident90.3Very high27 Ų2730.2 Ų30.219%0.18917%0.167CC..EExtended strand (participates in β ladder)trans-156.2172.4-179.172.70000109.8Q316 G750 V751Q316-S748 PolarHBondContact NE2-OG 2.77Å; S748-G750 PolarHBondContact O-N 3.23Å; S748-G750 VanDerWaalsContact O-N 3.12Å; S748-V751 PolarHBondContact N-O 3.3Å; S748-V751 PolarHBondContact O-N 3.11Å; S748-V751 VanDerWaalsContact O-N 3.08Å
749K71.6Confident90.2Very high55 Ų5529.1 Ų29.124%0.23916%0.162CC..THydrogen-bonded Turntrans-57.3119.6176.5-166.5180-179.7-1670110.4E377E377-K749 WeakPolarHBondContact OE2-CE 3.15Å; E377-K749 IonicContact OE2-NZ 3.03Å; E377-K749 PolarHBondContact OE2-NZ 3.4Å
750G79.9Confident89.7Confident23 Ų2334 Ų3424%0.23718%0.184CC..THydrogen-bonded Turntrans81.8-2.1-179.600000116.4T641 A642 S748T641-G750 WeakPolarHBondContact CA-O 3.27Å; A642-G750 PolarHBondContact N-O 3.3Å; A642-G750 CarbonylContact O-C 3.6Å; A642-G750 WeakPolarHBondContact O-CA 3.41Å; S748-G750 PolarHBondContact O-N 3.23Å; S748-G750 VanDerWaalsContact O-N 3.12Å
751V85.9Confident89.1Confident22 Ų2237 Ų3713%0.13320%0.197CC..EExtended strand (participates in β ladder)trans-126.4127.5179.2-174.80000110.7K627 D639 F640 I747 S748K627-V751 HydrophobicContact CB-CG1 4.19Å; K627-V751 HydrophobicContact CG-CG1 4.39Å; K627-V751 HydrophobicContact CG-CG2 4.43Å; D639-V751 HydrophobicContact CB-CG1 4.47Å; F640-V751 WeakPolarHBondContact O-CA 3.41Å; I747-V751 HydrophobicContact CD1-CG1 4.08Å; I747-V751 PolarHBondContact N-O 3.42Å; S748-V751 PolarHBondContact N-O 3.3Å; S748-V751 PolarHBondContact O-N 3.11Å; S748-V751 VanDerWaalsContact O-N 3.08Å
752R92.6Very high88.9Confident46 Ų4636.9 Ų36.917%0.17420%0.197CC..EExtended strand (participates in β ladder)trans-123.3152.6-175.6-54.1-158.271.9110.2-5.8110.5D639 F640 A642 R644 G645 E744 E745D639-R752 CarbonylContact C-O 3.45Å; D639-R752 VanDerWaalsContact CA-O 3.28Å; D639-R752 WeakPolarHBondContact CA-O 3.31Å; F640-R752 HydrophobicContact CD1-CB 4.48Å; F640-R752 WeakPolarHBondContact CD1-O 3.23Å; F640-R752 HydrophobicContact CE1-CB 3.93Å; F640-R752 HydrophobicContact CE2-CB 4.48Å; F640-R752 HydrophobicContact CZ-CB 3.94Å; F640-R752 PolarHBondContact N-O 2.84Å; F640-R752 PolarHBondContact O-N 3.26Å; A642-R752 HydrophobicContact CB-CB 4.46Å; A642-R752 HydrophobicContact CB-CG 3.92Å; R644-R752 WeakPolarHBondContact O-CD 3.09Å; G645-R752 VanDerWaalsContact CA-NH1 3.26Å; E744-R752 VanDerWaalsContact CD-NE 3.31Å; E744-R752 IonicContact OE1-CZ 3.3Å; E744-R752 VanDerWaalsContact OE1-CZ 3.25Å; E744-R752 IonicContact OE1-NE 3.07Å; E744-R752 PolarHBondContact OE1-NE 3.33Å; E744-R752 IonicContact OE1-NH2 3.74Å; E744-R752 PolarHBondContact OE1-NH2 3.28Å; E744-R752 IonicContact OE2-CZ 3.87Å; E744-R752 IonicContact OE2-NE 3.98Å; E744-R752 PolarHBondContact OE2-NE 3.38Å; E744-R752 IonicContact OE2-NH2 3.92Å; E744-R752 PolarHBondContact OE2-NH2 2.97Å; E745-R752 CarbonylContact O-C 3.51Å; E745-R752 WeakPolarHBondContact O-CA 3.29Å
753R92.7Very high88.9Confident54 Ų5439.8 Ų39.820%0.20421%0.209CC..EExtended strand (participates in β ladder)trans-120.2127.5-176.5175.3164.9-73.8171.5-2109.4R637 F638 D639 E744 E745 I747 I755R637-R753 HydrophobicContact CG-CG 3.8Å; F638-R753 CarbonylContact O-C 3.56Å; F638-R753 WeakPolarHBondContact O-CA 3.28Å; D639-R753 WeakPolarHBondContact OD1-CG 3.24Å; D639-R753 IonicContact OD1-CZ 3.92Å; D639-R753 IonicContact OD1-NE 2.67Å; D639-R753 PolarHBondContact OD1-NE 3.41Å; D639-R753 IonicContact OD1-NH2 3.57Å; D639-R753 PolarHBondContact OD1-NH2 3.05Å; D639-R753 IonicContact OD2-CZ 2.86Å; D639-R753 IonicContact OD2-NE 3.17Å; D639-R753 IonicContact OD2-NH2 3.99Å; D639-R753 PolarHBondContact OD2-NH2 3.46Å; E744-R753 CarbonylContact C-O 3.53Å; E744-R753 VanDerWaalsContact CA-O 3.24Å; E744-R753 WeakPolarHBondContact CA-O 3.36Å; E745-R753 HydrophobicContact CG-CB 4.11Å; E745-R753 PolarHBondContact N-O 3.19Å; E745-R753 PolarHBondContact O-N 2.78Å; I747-R753 HydrophobicContact CD1-CB 3.74Å; I747-R753 HydrophobicContact CG1-CB 3.61Å; R753-I755 HydrophobicContact CG-CG1 4.36Å
754I97.4Very high88.6Confident0 Ų045.7 Ų45.70%023%0.228CC..EExtended strand (participates in β ladder)trans-102.8135.4163-78.5164000109.5L613 L617 R637 F638 F640 M646 I741 S743 E744 A756L613-I754 HydrophobicContact CD1-CD1 4.5Å; L613-I754 HydrophobicContact CD2-CB 4.31Å; L613-I754 HydrophobicContact CD2-CG2 3.62Å; L617-I754 HydrophobicContact CD1-CD1 4.04Å; L617-I754 HydrophobicContact CD2-CD1 3.65Å; L617-I754 HydrophobicContact CG-CD1 4.4Å; R637-I754 CarbonylContact C-O 3.49Å; R637-I754 VanDerWaalsContact CA-O 3.28Å; R637-I754 WeakPolarHBondContact CA-O 3.5Å; F638-I754 PolarHBondContact N-O 3.28Å; F638-I754 PolarHBondContact O-N 3.03Å; F640-I754 HydrophobicContact CE1-CB 4.49Å; F640-I754 HydrophobicContact CE1-CD1 3.65Å; F640-I754 HydrophobicContact CE1-CG1 3.86Å; F640-I754 HydrophobicContact CZ-CD1 3.94Å; F640-I754 HydrophobicContact CZ-CG1 4.46Å; M646-I754 HydrophobicContact SD-CD1 3.99Å; I741-I754 HydrophobicContact CG1-CG2 4.25Å; I741-I754 HydrophobicContact CG2-CG1 4.35Å; I741-I754 HydrophobicContact CG2-CG2 3.87Å; S743-I754 CarbonylContact O-C 3.59Å; S743-I754 VanDerWaalsContact O-CA 3.29Å; S743-I754 WeakPolarHBondContact O-CA 3.32Å; E744-I754 HydrophobicContact CB-CG1 4.08Å; E744-I754 HydrophobicContact CG-CD1 4.49Å; E744-I754 HydrophobicContact CG-CG1 3.96Å; I754-A756 HydrophobicContact CG2-CB 4.25Å
755I94.6Very high88.4Confident42 Ų4245.1 Ų45.122%0.21523%0.225CC..EExtended strand (participates in β ladder)trans-108.9125.3161.5-59.2179.2000107.2R635 L636 R637 V742 S743 R753R635-I755 HydrophobicContact CB-CG2 4.38Å; L636-I755 WeakPolarHBondContact O-CA 3.32Å; R637-I755 HydrophobicContact CG-CG1 4.38Å; V742-I755 PolarHBondContact N-O 2.93Å; S743-I755 PolarHBondContact N-O 3.26Å; S743-I755 PolarHBondContact O-N 3.01Å; R753-I755 HydrophobicContact CG-CG1 4.36Å
756A97.7Very high88.7Confident0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-129.5158.1176.800000111.9L636 L739 V740 I741 I754L636-A756 HydrophobicContact CD1-CB 3.81Å; L636-A756 HydrophobicContact CD2-CB 4.33Å; L636-A756 HydrophobicContact CG-CB 3.93Å; L636-A756 PolarHBondContact N-O 3.23Å; L636-A756 PolarHBondContact O-N 3.21Å; L739-A756 HydrophobicContact CD2-CB 4.08Å; L739-A756 HydrophobicContact CG-CB 4.39Å; V740-A756 CarbonylContact O-C 3.34Å; V740-A756 WeakPolarHBondContact O-CA 3.41Å; V740-A756 WeakPolarHBondContact O-CB 3.33Å; I741-A756 HydrophobicContact CG1-CB 4.36Å; I754-A756 HydrophobicContact CG2-CB 4.25Å
757L96Very high89.1Confident16 Ų1649.4 Ų49.48%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-114.3147.8178.2-53.8176.9000109.2D634 R635 L739 V740 V742 E761 A762 A765 V818D634-L757 WeakPolarHBondContact O-CD2 3.35Å; R635-L757 HydrophobicContact CB-CD2 3.79Å; L739-L757 WeakPolarHBondContact CA-O 3.43Å; V740-L757 PolarHBondContact N-O 2.85Å; V740-L757 PolarHBondContact O-N 3.01Å; V742-L757 HydrophobicContact CG2-CD1 3.53Å; V742-L757 HydrophobicContact CG2-CD2 4.46Å; V742-L757 HydrophobicContact CG2-CG 3.6Å; L757-E761 HydrophobicContact CB-CB 4.17Å; L757-E761 HydrophobicContact CD1-CB 4.24Å; L757-E761 HydrophobicContact CD2-CB 4.31Å; L757-E761 HydrophobicContact CG-CB 4.47Å; L757-A762 HydrophobicContact CB-CB 4.15Å; L757-A765 HydrophobicContact CD1-CB 4.12Å; L757-V818 HydrophobicContact CD1-CG1 3.85Å
758T97.3Very high89.8Confident8 Ų848 Ų485%0.04922%0.224CC..  trans-127.7173.3168.672.90000111.8R605 N606 L636 I736 V738 L739 H760 E761 A762R605-T758 WeakPolarHBondContact CB-OG1 3.49Å; N606-T758 PolarHBondContact N-OG1 3.47Å; N606-T758 WeakPolarHBondContact OD1-CB 3.4Å; N606-T758 WeakPolarHBondContact OD1-CG2 3.27Å; N606-T758 PolarHBondContact OD1-N 3.01Å; N606-T758 PolarHBondContact OD1-OG1 2.98Å; L636-T758 HydrophobicContact CD2-CG2 4.09Å; I736-T758 HydrophobicContact CG2-CG2 3.77Å; V738-T758 VanDerWaalsContact O-CA 3.23Å; V738-T758 WeakPolarHBondContact O-CA 3.3Å; L739-T758 HydrophobicContact CD1-CG2 4.46Å; L739-T758 HydrophobicContact CG-CG2 4.42Å; T758-H760 PolarHBondContact O-N 3.34Å; T758-E761 PolarHBondContact O-N 3.15Å; T758-A762 PolarHBondContact O-N 3.06Å
759G90.8Very high90.9Very high5 Ų547 Ų475%0.05222%0.217CC..Hα-helixtrans53.3-133.3176.500000113.9I736 E761 A762 E763I736-G759 PolarHBondContact O-N 3.32Å; G759-E761 VanDerWaalsContact C-N 3.34Å; G759-E761 PolarHBondContact O-N 3.05Å; G759-A762 PolarHBondContact O-N 3.25Å; G759-E763 WeakPolarHBondContact O-CG 3.35Å; G759-E763 PolarHBondContact O-N 3.34Å
760H87.8Confident92.1Very high113 Ų11349.5 Ų49.552%0.52323%0.233SC..Hα-helixtrans-63.7-33.6-174.7-64.9-48000114.3T758 E763 R764T758-H760 PolarHBondContact O-N 3.34Å; H760-E763 IonicContact ND1-OE2 3.26Å; H760-E763 PolarHBondContact ND1-OE2 3.17Å; H760-E763 PolarHBondContact O-N 3.03Å; H760-R764 WeakPolarHBondContact O-CG 3.4Å; H760-R764 PolarHBondContact O-N 2.81Å
761E85.1Confident92.7Very high68 Ų6852.5 Ų52.532%0.31824%0.237SC..Hα-helixtrans-70.2-36.9178.1-60.6-52.4144.400110.9L757 T758 G759 R764 A765L757-E761 HydrophobicContact CB-CB 4.17Å; L757-E761 HydrophobicContact CD1-CB 4.24Å; L757-E761 HydrophobicContact CD2-CB 4.31Å; L757-E761 HydrophobicContact CG-CB 4.47Å; T758-E761 PolarHBondContact O-N 3.15Å; G759-E761 VanDerWaalsContact C-N 3.34Å; G759-E761 PolarHBondContact O-N 3.05Å; E761-R764 VanDerWaalsContact CD-NH1 3.27Å; E761-R764 PolarHBondContact O-N 3.38Å; E761-R764 IonicContact OE1-CZ 3.46Å; E761-R764 IonicContact OE1-NH1 3.32Å; E761-R764 PolarHBondContact OE1-NH1 2.89Å; E761-R764 IonicContact OE2-CZ 3.44Å; E761-R764 IonicContact OE2-NH1 3.57Å; E761-R764 PolarHBondContact OE2-NH1 2.91Å; E761-A765 WeakPolarHBondContact O-CB 3.4Å; E761-A765 PolarHBondContact O-N 3.39Å
762A94.6Very high93.2Very high0 Ų051.5 Ų51.50%023%0.231CC..Hα-helixtrans-66.1-41.8171.800000112.6V738 V740 L757 T758 G759 R764 A765 Q766V738-A762 HydrophobicContact CB-CB 4.07Å; V738-A762 HydrophobicContact CG1-CB 4.38Å; V738-A762 WeakPolarHBondContact O-CB 3.48Å; V740-A762 HydrophobicContact CB-CB 4.33Å; V740-A762 HydrophobicContact CG2-CB 3.95Å; L757-A762 HydrophobicContact CB-CB 4.15Å; T758-A762 PolarHBondContact O-N 3.06Å; G759-A762 PolarHBondContact O-N 3.25Å; A762-R764 VanDerWaalsContact C-N 3.32Å; A762-R764 PolarHBondContact O-N 3.28Å; A762-A765 WeakPolarHBondContact O-CB 3.36Å; A762-A765 PolarHBondContact O-N 2.89Å; A762-Q766 PolarHBondContact O-N 3.45Å
763E92.3Very high93.4Very high79 Ų7950.7 Ų50.737%0.36923%0.23SC..Hα-helixtrans-61.4-39.6175.6-71.3170.9177.700112.1G759 H760 Q766 K767G759-E763 WeakPolarHBondContact O-CG 3.35Å; G759-E763 PolarHBondContact O-N 3.34Å; H760-E763 IonicContact ND1-OE2 3.26Å; H760-E763 PolarHBondContact ND1-OE2 3.17Å; H760-E763 PolarHBondContact O-N 3.03Å; E763-Q766 PolarHBondContact O-N 3.13Å; E763-K767 WeakPolarHBondContact O-CG 3.47Å; E763-K767 PolarHBondContact O-N 3.15Å
764R87Confident93.5Very high152 Ų15252.5 Ų52.557%0.57424%0.244SC*.Hα-helixtrans-63.4-44.8173.6-74.3174.2-175.71635111.2H760 E761 A762 Q766 K767 E768H760-R764 WeakPolarHBondContact O-CG 3.4Å; H760-R764 PolarHBondContact O-N 2.81Å; E761-R764 VanDerWaalsContact CD-NH1 3.27Å; E761-R764 PolarHBondContact O-N 3.38Å; E761-R764 IonicContact OE1-CZ 3.46Å; E761-R764 IonicContact OE1-NH1 3.32Å; E761-R764 PolarHBondContact OE1-NH1 2.89Å; E761-R764 IonicContact OE2-CZ 3.44Å; E761-R764 IonicContact OE2-NH1 3.57Å; E761-R764 PolarHBondContact OE2-NH1 2.91Å; A762-R764 VanDerWaalsContact C-N 3.32Å; A762-R764 PolarHBondContact O-N 3.28Å; R764-Q766 VanDerWaalsContact C-N 3.35Å; R764-Q766 PolarHBondContact O-N 3.19Å; R764-K767 PolarHBondContact O-N 3.01Å; R764-E768 WeakPolarHBondContact O-CB 3.32Å; R764-E768 PolarHBondContact O-N 2.81Å
765A91Very high93.4Very high3 Ų356 Ų563%0.02526%0.261CS..Hα-helixtrans-59.7-42.4176.400000112.1V740 L757 E761 A762 E768 A769 V818 I819V740-A765 HydrophobicContact CG1-CB 4.14Å; L757-A765 HydrophobicContact CD1-CB 4.12Å; E761-A765 WeakPolarHBondContact O-CB 3.4Å; E761-A765 PolarHBondContact O-N 3.39Å; A762-A765 WeakPolarHBondContact O-CB 3.36Å; A762-A765 PolarHBondContact O-N 2.89Å; A765-E768 PolarHBondContact O-N 2.77Å; A765-A769 WeakPolarHBondContact O-CB 3.39Å; A765-A769 PolarHBondContact O-N 3.42Å; A765-V818 WeakPolarHBondContact CA-O 3.49Å; A765-V818 VanDerWaalsContact CB-O 3.26Å; A765-V818 WeakPolarHBondContact CB-O 3.47Å; A765-I819 WeakPolarHBondContact O-CG2 3.31Å
766Q95.1Very high93.5Very high99 Ų9954 Ų5446%0.46325%0.25SS..Hα-helixtrans-66-42.7175.8-75.2-170.9-36.600113.3V738 V740 A762 E763 R764 E768 A769 L770V738-Q766 HydrophobicContact CG1-CG 4.3Å; V738-Q766 VanDerWaalsContact CG1-NE2 3.26Å; V740-Q766 HydrophobicContact CG2-CG 4.08Å; A762-Q766 PolarHBondContact O-N 3.45Å; E763-Q766 PolarHBondContact O-N 3.13Å; R764-Q766 VanDerWaalsContact C-N 3.35Å; R764-Q766 PolarHBondContact O-N 3.19Å; Q766-E768 VanDerWaalsContact C-N 3.3Å; Q766-E768 PolarHBondContact O-N 2.83Å; Q766-A769 WeakPolarHBondContact O-CB 3.43Å; Q766-A769 PolarHBondContact O-N 3Å; Q766-L770 PolarHBondContact O-N 3.16Å
767K93Very high93.4Very high150 Ų15056.8 Ų56.865%0.65227%0.265SS*.Hα-helixtrans-61.4-41.3176.3-74.7174.7-176.8172.70111.7E763 R764 L770 R771E763-K767 WeakPolarHBondContact O-CG 3.47Å; E763-K767 PolarHBondContact O-N 3.15Å; R764-K767 PolarHBondContact O-N 3.01Å; K767-L770 PolarHBondContact O-N 3.45Å; K767-R771 PolarHBondContact O-N 3.1Å
768E91.3Very high93.3Very high46 Ų4661.2 Ų61.222%0.21529%0.285CS..Hα-helixtrans-65.4-41176177.761.2-178.400111.8R764 A765 Q766 L770 R771 L772 H813 I819R764-E768 WeakPolarHBondContact O-CB 3.32Å; R764-E768 PolarHBondContact O-N 2.81Å; A765-E768 PolarHBondContact O-N 2.77Å; Q766-E768 VanDerWaalsContact C-N 3.3Å; Q766-E768 PolarHBondContact O-N 2.83Å; E768-L770 PolarHBondContact O-N 3.05Å; E768-R771 PolarHBondContact O-N 3.08Å; E768-R771 IonicContact OE1-CZ 3.76Å; E768-R771 IonicContact OE1-NH2 2.74Å; E768-R771 PolarHBondContact OE1-NH2 3.39Å; E768-R771 IonicContact OE2-CZ 3.57Å; E768-R771 VanDerWaalsContact OE2-CZ 3.31Å; E768-R771 IonicContact OE2-NE 3Å; E768-R771 PolarHBondContact OE2-NE 2.93Å; E768-R771 IonicContact OE2-NH2 2.77Å; E768-R771 PolarHBondContact OE2-NH2 3.06Å; E768-L772 HydrophobicContact CG-CD1 4.09Å; E768-L772 WeakPolarHBondContact O-CG 3.35Å; E768-L772 PolarHBondContact O-N 3.46Å; E768-H813 IonicContact OE1-NE2 3.81Å; E768-I819 HydrophobicContact CB-CG2 3.93Å; E768-I819 HydrophobicContact CG-CG2 3.68Å
769A95.2Very high93.1Very high5 Ų561.2 Ų61.24%0.04129%0.285CS..Hα-helixtrans-60.6-43.6175.600000111.9A765 Q766 L772 D773 I819A765-A769 WeakPolarHBondContact O-CB 3.39Å; A765-A769 PolarHBondContact O-N 3.42Å; Q766-A769 WeakPolarHBondContact O-CB 3.43Å; Q766-A769 PolarHBondContact O-N 3Å; A769-L772 PolarHBondContact O-N 2.57Å; A769-D773 PolarHBondContact O-N 2.7Å; A769-I819 HydrophobicContact CB-CB 4.01Å; A769-I819 HydrophobicContact CB-CD1 4.32Å; A769-I819 HydrophobicContact CB-CG2 3.92Å
770L96Very high93.3Very high109 Ų10962.8 Ų62.857%0.57129%0.291SS*.Hα-helixtrans-64.3-41.2176.2-17665.3000112.2Q766 K767 E768 D773 N774Q766-L770 PolarHBondContact O-N 3.16Å; K767-L770 PolarHBondContact O-N 3.45Å; E768-L770 PolarHBondContact O-N 3.05Å; L770-D773 PolarHBondContact O-N 2.95Å; L770-N774 PolarHBondContact O-N 3.38Å; L770-N774 VanDerWaalsContact O-N 3.13Å; L770-N774 PolarHBondContact O-ND2 3.07Å
771R93.8Very high93.5Very high86 Ų8662.6 Ų62.633%0.32529%0.289SS..Hα-helixtrans-60.7-47.5175.8-172.5-177.267.182.10.9111K767 E768 N774 E775 H813K767-R771 PolarHBondContact O-N 3.1Å; E768-R771 PolarHBondContact O-N 3.08Å; E768-R771 IonicContact OE1-CZ 3.76Å; E768-R771 IonicContact OE1-NH2 2.74Å; E768-R771 PolarHBondContact OE1-NH2 3.39Å; E768-R771 IonicContact OE2-CZ 3.57Å; E768-R771 VanDerWaalsContact OE2-CZ 3.31Å; E768-R771 IonicContact OE2-NE 3Å; E768-R771 PolarHBondContact OE2-NE 2.93Å; E768-R771 IonicContact OE2-NH2 2.77Å; E768-R771 PolarHBondContact OE2-NH2 3.06Å; R771-N774 PolarHBondContact O-N 2.9Å; R771-E775 IonicContact CZ-OE1 2.78Å; R771-E775 IonicContact NH1-OE1 3.57Å; R771-E775 PolarHBondContact NH1-OE1 3.46Å; R771-E775 IonicContact NH1-OE2 3.53Å; R771-E775 PolarHBondContact NH1-OE2 3.47Å; R771-E775 PolarHBondContact O-N 3.45Å; R771-H813 PolarHBondContact NH1-CE1 3.01Å; R771-H813 PolarHBondContact NH2-CE1 3.13Å; R771-H813 PolarHBondContact NH2-NE2 2.93Å
772L95.3Very high93.7Very high0 Ų062.3 Ų62.30%029%0.289CS..Hα-helixtrans-67.2-36.5179.3-71.1170.1000112.6E768 A769 N774 E775 V776 V814 A817 I819 L827E768-L772 HydrophobicContact CG-CD1 4.09Å; E768-L772 WeakPolarHBondContact O-CG 3.35Å; E768-L772 PolarHBondContact O-N 3.46Å; A769-L772 PolarHBondContact O-N 2.57Å; L772-N774 VanDerWaalsContact C-N 3.33Å; L772-N774 PolarHBondContact O-N 3.46Å; L772-E775 PolarHBondContact O-N 3.16Å; L772-V776 WeakPolarHBondContact O-CB 3.23Å; L772-V776 VanDerWaalsContact O-CG2 3.25Å; L772-V776 WeakPolarHBondContact O-CG2 3.25Å; L772-V776 PolarHBondContact O-N 2.9Å; L772-V814 HydrophobicContact CD2-CG2 4.25Å; L772-A817 HydrophobicContact CD1-CB 3.4Å; L772-I819 HydrophobicContact CD1-CD1 4.13Å; L772-L827 HydrophobicContact CB-CD1 3.78Å
773D96.5Very high93.5Very high30 Ų3062.3 Ų62.316%0.1629%0.289CS..Hα-helixtrans-59.9-44.2173.3-118.3-28.7000111.4A769 L770 V776 N777 H823 L827 K830A769-D773 PolarHBondContact O-N 2.7Å; L770-D773 PolarHBondContact O-N 2.95Å; D773-V776 PolarHBondContact O-N 3.32Å; D773-N777 VanDerWaalsContact O-CB 3.29Å; D773-N777 WeakPolarHBondContact O-CB 3.39Å; D773-N777 PolarHBondContact O-N 2.98Å; D773-N777 PolarHBondContact O-ND2 3.49Å; D773-H823 IonicContact OD1-NE2 2.81Å; D773-H823 IonicContact OD2-CD2 3.57Å; D773-H823 IonicContact OD2-CE1 3.45Å; D773-H823 PolarHBondContact OD2-CE1 2.89Å; D773-H823 VanDerWaalsContact OD2-CE1 3.3Å; D773-H823 IonicContact OD2-NE2 3.19Å; D773-H823 PolarHBondContact OD2-NE2 3.15Å; D773-L827 HydrophobicContact CB-CD2 4.36Å; D773-L827 WeakPolarHBondContact OD1-CD2 3.46Å; D773-K830 IonicContact OD1-NZ 3.53Å; D773-K830 PolarHBondContact OD1-NZ 3.07Å
774N96.7Very high93.3Very high91 Ų9162.2 Ų62.249%0.48729%0.292SS..Hα-helixtrans-63.5-46.5176.5-70.9-28.3000111.6L770 R771 L772 V776 N777 E778L770-N774 PolarHBondContact O-N 3.38Å; L770-N774 VanDerWaalsContact O-N 3.13Å; L770-N774 PolarHBondContact O-ND2 3.07Å; R771-N774 PolarHBondContact O-N 2.9Å; L772-N774 VanDerWaalsContact C-N 3.33Å; L772-N774 PolarHBondContact O-N 3.46Å; N774-V776 PolarHBondContact O-N 3.47Å; N774-N777 PolarHBondContact O-N 2.89Å; N774-E778 WeakPolarHBondContact O-CB 3.24Å; N774-E778 WeakPolarHBondContact O-CG 3.33Å; N774-E778 PolarHBondContact O-N 3.32Å
775E94.4Very high93.3Very high75 Ų7560.6 Ų60.635%0.3529%0.29SS..Hα-helixtrans-60.8-43.2177.4-74.4178-169.100112.3R771 L772 F779 L810 H813R771-E775 IonicContact CZ-OE1 2.78Å; R771-E775 IonicContact NH1-OE1 3.57Å; R771-E775 PolarHBondContact NH1-OE1 3.46Å; R771-E775 IonicContact NH1-OE2 3.53Å; R771-E775 PolarHBondContact NH1-OE2 3.47Å; R771-E775 PolarHBondContact O-N 3.45Å; L772-E775 PolarHBondContact O-N 3.16Å; E775-F779 VanDerWaalsContact O-CB 3.27Å; E775-F779 WeakPolarHBondContact O-CB 3.38Å; E775-F779 PolarHBondContact O-N 3.08Å; E775-L810 HydrophobicContact CB-CD1 4.01Å; E775-H813 IonicContact OE2-ND1 2.85Å
776V96Very high92.9Very high0 Ų060.9 Ų60.90%029%0.292CS..Hα-helixtrans-66.8-42.5177170.80000111.4L772 D773 N774 F779 I780 L810 V814 L827 K830 L831L772-V776 WeakPolarHBondContact O-CB 3.23Å; L772-V776 VanDerWaalsContact O-CG2 3.25Å; L772-V776 WeakPolarHBondContact O-CG2 3.25Å; L772-V776 PolarHBondContact O-N 2.9Å; D773-V776 PolarHBondContact O-N 3.32Å; N774-V776 PolarHBondContact O-N 3.47Å; V776-F779 PolarHBondContact O-N 3.5Å; V776-I780 HydrophobicContact CG1-CD1 3.76Å; V776-I780 HydrophobicContact CG1-CG1 4.49Å; V776-I780 WeakPolarHBondContact O-CD1 3.43Å; V776-I780 WeakPolarHBondContact O-CG1 3.4Å; V776-I780 PolarHBondContact O-N 2.86Å; V776-L810 HydrophobicContact CG2-CD1 4.25Å; V776-L810 HydrophobicContact CG2-CD2 3.93Å; V776-L810 HydrophobicContact CG2-CG 4.07Å; V776-V814 HydrophobicContact CG2-CG2 4.03Å; V776-L827 HydrophobicContact CB-CD2 4.11Å; V776-L827 HydrophobicContact CG1-CD2 4.29Å; V776-L827 HydrophobicContact CG2-CD2 4.08Å; V776-K830 HydrophobicContact CG1-CB 3.96Å; V776-K830 HydrophobicContact CG1-CD 4.09Å; V776-L831 HydrophobicContact CG1-CD2 4.17Å; V776-L831 HydrophobicContact CG1-CG 4.15Å; V776-L831 HydrophobicContact CG2-CD1 4.15Å; V776-L831 HydrophobicContact CG2-CD2 4.17Å; V776-L831 HydrophobicContact CG2-CG 4.12Å
777N95.6Very high92.2Very high58 Ų5858.3 Ų58.331%0.3128%0.281SS..Hα-helixtrans-67.1-41.2178.8-68.7-30000112D773 N774 I780 K781 K830D773-N777 VanDerWaalsContact O-CB 3.29Å; D773-N777 WeakPolarHBondContact O-CB 3.39Å; D773-N777 PolarHBondContact O-N 2.98Å; D773-N777 PolarHBondContact O-ND2 3.49Å; N774-N777 PolarHBondContact O-N 2.89Å; N777-I780 PolarHBondContact O-N 2.65Å; N777-K781 WeakPolarHBondContact O-CG 3.27Å; N777-K781 PolarHBondContact O-N 2.73Å; N777-K830 PolarHBondContact OD1-NZ 2.97Å
778E94.3Very high91.4Very high108 Ų10854 Ų5451%0.50527%0.27SS..Hα-helixtrans-64.3-42.2174.1-73.9-54.7127.500111.6N774 I780 K781 L782N774-E778 WeakPolarHBondContact O-CB 3.24Å; N774-E778 WeakPolarHBondContact O-CG 3.33Å; N774-E778 PolarHBondContact O-N 3.32Å; E778-I780 VanDerWaalsContact C-N 3.33Å; E778-I780 PolarHBondContact O-N 3Å; E778-K781 WeakPolarHBondContact O-CB 3.37Å; E778-K781 PolarHBondContact O-N 3.42Å; E778-K781 IonicContact OE1-NZ 3.63Å; E778-K781 PolarHBondContact OE1-NZ 3.34Å; E778-L782 PolarHBondContact O-N 2.91Å
779F94Very high90.3Very high9 Ų956 Ų564%0.03928%0.281CS..Hα-helixtrans-62.2-39.9174.9179.4-99000112.2E775 V776 L782 V783 I803 Q806 M807 L810 L831 A834E775-F779 VanDerWaalsContact O-CB 3.27Å; E775-F779 WeakPolarHBondContact O-CB 3.38Å; E775-F779 PolarHBondContact O-N 3.08Å; V776-F779 PolarHBondContact O-N 3.5Å; F779-L782 WeakPolarHBondContact O-CB 3.33Å; F779-L782 PolarHBondContact O-N 3.17Å; F779-V783 HydrophobicContact CD1-CG2 4.18Å; F779-V783 HydrophobicContact CE1-CG2 3.56Å; F779-V783 HydrophobicContact CE2-CG2 4.22Å; F779-V783 HydrophobicContact CZ-CG2 3.57Å; F779-V783 WeakPolarHBondContact O-CG2 3.43Å; F779-V783 PolarHBondContact O-N 3.38Å; F779-I803 HydrophobicContact CE2-CG2 4.22Å; F779-I803 HydrophobicContact CZ-CG2 4.09Å; F779-Q806 HydrophobicContact CD2-CB 4.01Å; F779-Q806 HydrophobicContact CE2-CB 3.72Å; F779-M807 HydrophobicContact CE1-CB 4.19Å; F779-M807 HydrophobicContact CE1-CE 3.36Å; F779-M807 HydrophobicContact CE1-SD 3.71Å; F779-M807 HydrophobicContact CE2-CB 4.43Å; F779-M807 HydrophobicContact CZ-CB 3.66Å; F779-M807 HydrophobicContact CZ-CE 3.77Å; F779-M807 HydrophobicContact CZ-CG 4.46Å; F779-M807 HydrophobicContact CZ-SD 4.16Å; F779-L810 HydrophobicContact CB-CD2 3.72Å; F779-L810 HydrophobicContact CD1-CD2 4.26Å; F779-L810 HydrophobicContact CG-CD2 3.96Å; F779-L831 HydrophobicContact CD1-CD2 3.96Å; F779-L831 HydrophobicContact CE1-CD2 4.34Å; F779-A834 HydrophobicContact CE1-CB 4.44Å
780I93.7Very high88.5Confident37 Ų3758.9 Ų58.919%0.1929%0.294CS..Hα-helixtrans-63.8-40.8174.9-71162.9000111.6V776 N777 E778 L782 V783 N784 K830 A834V776-I780 HydrophobicContact CG1-CD1 3.76Å; V776-I780 HydrophobicContact CG1-CG1 4.49Å; V776-I780 WeakPolarHBondContact O-CD1 3.43Å; V776-I780 WeakPolarHBondContact O-CG1 3.4Å; V776-I780 PolarHBondContact O-N 2.86Å; N777-I780 PolarHBondContact O-N 2.65Å; E778-I780 VanDerWaalsContact C-N 3.33Å; E778-I780 PolarHBondContact O-N 3Å; I780-L782 VanDerWaalsContact C-N 3.31Å; I780-L782 PolarHBondContact O-N 2.87Å; I780-V783 PolarHBondContact O-N 3.27Å; I780-N784 WeakPolarHBondContact O-CB 3.28Å; I780-N784 PolarHBondContact O-N 2.71Å; I780-N784 PolarHBondContact O-ND2 2.61Å; I780-K830 HydrophobicContact CD1-CB 3.9Å; I780-K830 HydrophobicContact CD1-CD 4.35Å; I780-K830 HydrophobicContact CD1-CG 4.49Å; I780-A834 HydrophobicContact CG1-CB 4.14Å
781K92.5Very high86.5Confident109 Ų10961.1 Ų61.147%0.47430%0.302SS..Hα-helixtrans-59.3-45.1173.5-71.2173.9-172.7170.10110.8N777 E778 V783 N784 Q785N777-K781 WeakPolarHBondContact O-CG 3.27Å; N777-K781 PolarHBondContact O-N 2.73Å; E778-K781 WeakPolarHBondContact O-CB 3.37Å; E778-K781 PolarHBondContact O-N 3.42Å; E778-K781 IonicContact OE1-NZ 3.63Å; E778-K781 PolarHBondContact OE1-NZ 3.34Å; K781-V783 PolarHBondContact O-N 3.24Å; K781-N784 PolarHBondContact O-N 3.13Å; K781-Q785 WeakPolarHBondContact O-CB 3.35Å; K781-Q785 VanDerWaalsContact O-CG 3.28Å; K781-Q785 WeakPolarHBondContact O-CG 3.42Å; K781-Q785 PolarHBondContact O-N 3.27Å
782L90.1Very high84.5Confident62 Ų6262.8 Ų62.833%0.32532%0.317SS..Hα-helixtrans-62.3-42177.8-173.2148.3000111.8E778 F779 I780 Q785 S786 I803E778-L782 PolarHBondContact O-N 2.91Å; F779-L782 WeakPolarHBondContact O-CB 3.33Å; F779-L782 PolarHBondContact O-N 3.17Å; I780-L782 VanDerWaalsContact C-N 3.31Å; I780-L782 PolarHBondContact O-N 2.87Å; L782-Q785 PolarHBondContact O-N 3.43Å; L782-S786 WeakPolarHBondContact O-CB 3.41Å; L782-S786 PolarHBondContact O-N 3.02Å; L782-I803 HydrophobicContact CD2-CD1 3.88Å; L782-I803 HydrophobicContact CD2-CG1 3.39Å
783V89.3Confident82.3Confident0 Ų071.5 Ų71.50%036%0.357CS..Hα-helixtrans-60.6-48.8173.3168.60000111.2F779 I780 K781 Q785 S786 I787 I803 A834 L837 L838F779-V783 HydrophobicContact CD1-CG2 4.18Å; F779-V783 HydrophobicContact CE1-CG2 3.56Å; F779-V783 HydrophobicContact CE2-CG2 4.22Å; F779-V783 HydrophobicContact CZ-CG2 3.57Å; F779-V783 WeakPolarHBondContact O-CG2 3.43Å; F779-V783 PolarHBondContact O-N 3.38Å; I780-V783 PolarHBondContact O-N 3.27Å; K781-V783 PolarHBondContact O-N 3.24Å; V783-Q785 PolarHBondContact O-N 3.1Å; V783-S786 WeakPolarHBondContact O-CB 3.35Å; V783-S786 PolarHBondContact O-N 2.95Å; V783-S786 PolarHBondContact O-OG 3.26Å; V783-I787 HydrophobicContact CG1-CD1 3.9Å; V783-I787 WeakPolarHBondContact O-CD1 3.45Å; V783-I787 WeakPolarHBondContact O-CG1 3.49Å; V783-I787 PolarHBondContact O-N 3.07Å; V783-I787 VanDerWaalsContact O-N 3.11Å; V783-I803 HydrophobicContact CG2-CG2 4.17Å; V783-A834 HydrophobicContact CG1-CB 4.48Å; V783-A834 HydrophobicContact CG2-CB 4.48Å; V783-L837 HydrophobicContact CG1-CB 4.41Å; V783-L838 HydrophobicContact CG1-CD2 3.9Å; V783-L838 HydrophobicContact CG1-CG 3.9Å; V783-L838 HydrophobicContact CG2-CD1 4.04Å; V783-L838 HydrophobicContact CG2-CD2 4.27Å; V783-L838 HydrophobicContact CG2-CG 4.26Å
784N89Confident79.9Confident78 Ų7877.2 Ų77.242%0.41739%0.388SS..Hα-helixtrans-63.3-41179.4-72.1-31.4000112.5I780 K781 I787 S788I780-N784 WeakPolarHBondContact O-CB 3.28Å; I780-N784 PolarHBondContact O-N 2.71Å; I780-N784 PolarHBondContact O-ND2 2.61Å; K781-N784 PolarHBondContact O-N 3.13Å; N784-I787 PolarHBondContact O-N 2.65Å; N784-S788 PolarHBondContact O-N 3.3Å
785Q86.8Confident77.8Confident117 Ų11774.4 Ų74.455%0.54737%0.373SS..Hα-helixtrans-60.5-45.4173.9-75.7172.2-8.400111K781 L782 V783 I787 S788 L789K781-Q785 WeakPolarHBondContact O-CB 3.35Å; K781-Q785 VanDerWaalsContact O-CG 3.28Å; K781-Q785 WeakPolarHBondContact O-CG 3.42Å; K781-Q785 PolarHBondContact O-N 3.27Å; L782-Q785 PolarHBondContact O-N 3.43Å; V783-Q785 PolarHBondContact O-N 3.1Å; Q785-I787 PolarHBondContact O-N 3.09Å; Q785-S788 WeakPolarHBondContact CA-OG 3.32Å; Q785-S788 PolarHBondContact O-N 3.48Å; Q785-S788 VanDerWaalsContact O-N 3.13Å; Q785-S788 PolarHBondContact O-OG 3.43Å; Q785-L789 WeakPolarHBondContact O-CG 3.29Å; Q785-L789 PolarHBondContact O-N 3.49Å
786S82.3Confident75.8Confident9 Ų976.3 Ų76.36%0.06339%0.385CS..Hα-helixtrans-59.6-35.2178.5840000112.7L782 V783 H790 N795 R841L782-S786 WeakPolarHBondContact O-CB 3.41Å; L782-S786 PolarHBondContact O-N 3.02Å; V783-S786 WeakPolarHBondContact O-CB 3.35Å; V783-S786 PolarHBondContact O-N 2.95Å; V783-S786 PolarHBondContact O-OG 3.26Å; S786-H790 PolarHBondContact O-N 3.15Å; S786-N795 PolarHBondContact O-ND2 2.76Å; S786-R841 PolarHBondContact O-NH1 3.1Å; S786-R841 PolarHBondContact OG-NH1 3.33Å
787I80.6Confident73.7Confident46 Ų4679.8 Ų79.824%0.23640%0.403CS..Hα-helixtrans-71.6-43.3177-65.5160.6000110.5V783 N784 Q785 H790 L837 R841V783-I787 HydrophobicContact CG1-CD1 3.9Å; V783-I787 WeakPolarHBondContact O-CD1 3.45Å; V783-I787 WeakPolarHBondContact O-CG1 3.49Å; V783-I787 PolarHBondContact O-N 3.07Å; V783-I787 VanDerWaalsContact O-N 3.11Å; N784-I787 PolarHBondContact O-N 2.65Å; Q785-I787 PolarHBondContact O-N 3.09Å; I787-H790 PolarHBondContact O-N 3.1Å; I787-L837 HydrophobicContact CD1-CB 3.67Å; I787-L837 HydrophobicContact CD1-CD1 4.39Å; I787-L837 HydrophobicContact CD1-CG 4.5Å; I787-R841 HydrophobicContact CG1-CB 4.42Å
788S76.3Confident71.7Confident59 Ų5981.3 Ų81.341%0.41342%0.415SS..Hα-helixtrans-65.6-40.2179.168.40000113.1N784 Q785 H790 Q791N784-S788 PolarHBondContact O-N 3.3Å; Q785-S788 WeakPolarHBondContact CA-OG 3.32Å; Q785-S788 PolarHBondContact O-N 3.48Å; Q785-S788 VanDerWaalsContact O-N 3.13Å; Q785-S788 PolarHBondContact O-OG 3.43Å; S788-H790 VanDerWaalsContact C-N 3.28Å; S788-H790 PolarHBondContact O-N 3.49Å; S788-Q791 WeakPolarHBondContact O-CB 3.33Å; S788-Q791 PolarHBondContact O-N 3.22Å
789L67.1Low70.5Confident87 Ų8779.6 Ų79.646%0.45541%0.409SS..Hα-helixtrans-68.6-27.3179-71.3168000112.6Q785 Q791 N792 N795Q785-L789 WeakPolarHBondContact O-CG 3.29Å; Q785-L789 PolarHBondContact O-N 3.49Å; L789-Q791 PolarHBondContact O-N 3.19Å; L789-N792 PolarHBondContact O-N 3.28Å; L789-N795 WeakPolarHBondContact CB-OD1 3.3Å
790H58Low69.3Low66 Ų6681.3 Ų81.331%0.30642%0.419SS..Hα-helixtrans-66.6-22.2177.9-140.110.7000112.9S786 I787 S788 N792 R841S786-H790 PolarHBondContact O-N 3.15Å; I787-H790 PolarHBondContact O-N 3.1Å; S788-H790 VanDerWaalsContact C-N 3.28Å; S788-H790 PolarHBondContact O-N 3.49Å; H790-N792 PolarHBondContact O-N 2.91Å; H790-R841 PolarHBondContact CD2-NE 3.16Å; H790-R841 PolarHBondContact CD2-NH2 2.72Å; H790-R841 PolarHBondContact NE2-NH2 3.39Å
791Q55.1Low68.3Low157 Ų15786.3 Ų86.373%0.73444%0.439SS*.THydrogen-bonded Turntrans-70-18.1172-62.6-178.8-23.500112.5S788 L789S788-Q791 WeakPolarHBondContact O-CB 3.33Å; S788-Q791 PolarHBondContact O-N 3.22Å; L789-Q791 PolarHBondContact O-N 3.19Å
792N50.6Low67.7Low121 Ų12184.7 Ų84.765%0.64744%0.436SS*.THydrogen-bonded Turntrans-107.122.8-176.3-69.3-23.4000113.9L789 H790 N794L789-N792 PolarHBondContact O-N 3.28Å; H790-N792 PolarHBondContact O-N 2.91Å; N792-N794 VanDerWaalsContact C-N 3.28Å; N792-N794 PolarHBondContact O-N 3.48Å; N792-N794 VanDerWaalsContact O-N 3.09Å
793H50Low67.5Low183 Ų18382 Ų8285%0.84742%0.422SS*.THydrogen-bonded Turntrans60.613.3170.4-87.7-64.1000118.3
794N45.8Very low67.3Low149 Ų14985.8 Ų85.880%0.79744%0.442SS*.  trans-126.531.3-168.9-113.45.3000116.6N792N792-N794 VanDerWaalsContact C-N 3.28Å; N792-N794 PolarHBondContact O-N 3.48Å; N792-N794 VanDerWaalsContact O-N 3.09Å
795N52Low67.2Low32 Ų3289.3 Ų89.317%0.17145%0.449CS..  trans-91.2123.1178.4-84.60.6000113.2S786 L789 R841S786-N795 PolarHBondContact O-ND2 2.76Å; L789-N795 WeakPolarHBondContact CB-OD1 3.3Å; N795-R841 PolarHBondContact ND2-NH2 3.13Å; N795-R841 VanDerWaalsContact ND2-NH2 3.19Å
796N52.6Low67.3Low115 Ų11588.1 Ų88.162%0.61544%0.444SS*.  trans-71.2130.1168.8-81.9-30.2000110.2T798 D799N796-T798 PolarHBondContact O-N 3.07Å; N796-T798 VanDerWaalsContact O-N 3.08Å; N796-D799 WeakPolarHBondContact O-CB 3.24Å; N796-D799 PolarHBondContact O-N 3.17Å
797I51.3Low67.8Low73 Ų7388 Ų8837%0.37444%0.442SS..Hα-helixtrans-64.4-19.1-176.5-51.7131.5000113D799 D800 T909I797-D799 PolarHBondContact O-N 2.94Å; I797-D800 PolarHBondContact O-N 3.42Å; I797-T909 HydrophobicContact CB-CG2 4.09Å; I797-T909 WeakPolarHBondContact CD1-OG1 3.22Å; I797-T909 HydrophobicContact CG2-CG2 3.17Å; I797-T909 WeakPolarHBondContact CG2-OG1 3.2Å
798T54.2Low68.1Low90 Ų9089.3 Ų89.355%0.55246%0.456SS*.Hα-helixtrans-57.6-29.3171.242.80000112.9N796 N802N796-T798 PolarHBondContact O-N 3.07Å; N796-T798 VanDerWaalsContact O-N 3.08Å; T798-N802 WeakPolarHBondContact O-CB 3.41Å; T798-N802 VanDerWaalsContact O-CG 3.28Å; T798-N802 PolarHBondContact O-N 3.29Å; T798-N802 PolarHBondContact O-ND2 2.93Å
799D68.9Low68.7Low73 Ų7391 Ų9139%0.3946%0.46SS..Hα-helixtrans-71.8-40.3-178.8-65-19.2000111.1N796 I797 N802 I803N796-D799 WeakPolarHBondContact O-CB 3.24Å; N796-D799 PolarHBondContact O-N 3.17Å; I797-D799 PolarHBondContact O-N 2.94Å; D799-N802 PolarHBondContact O-N 2.75Å; D799-I803 WeakPolarHBondContact O-CB 3.4Å; D799-I803 WeakPolarHBondContact O-CD1 3.42Å; D799-I803 WeakPolarHBondContact O-CG1 3.49Å; D799-I803 PolarHBondContact O-N 2.92Å
800D69.6Low69.9Low45 Ų4587.6 Ų87.624%0.24144%0.442CS..Hα-helixtrans-69.9-38.1-176.8-71.8-11.7000112.7I797 I803 N804 R841I797-D800 PolarHBondContact O-N 3.42Å; D800-I803 PolarHBondContact O-N 3.34Å; D800-N804 PolarHBondContact O-N 3.44Å; D800-N804 PolarHBondContact O-ND2 3.43Å; D800-R841 VanDerWaalsContact CG-NH2 3.33Å; D800-R841 IonicContact OD1-CZ 2.69Å; D800-R841 IonicContact OD1-NH1 3.33Å; D800-R841 PolarHBondContact OD1-NH1 3.27Å; D800-R841 IonicContact OD1-NH2 2.86Å; D800-R841 PolarHBondContact OD1-NH2 2.96Å; D800-R841 IonicContact OD2-CZ 3.68Å; D800-R841 IonicContact OD2-NH2 2.71Å; D800-R841 PolarHBondContact OD2-NH2 2.88Å
801F71.6Confident71.5Confident141 Ų14186.3 Ų86.362%0.61844%0.441SS*.Hα-helixtrans-64.2-43.5173.7179.4-97.1000111.4N804 R805F801-N804 PolarHBondContact O-N 2.81Å; F801-R805 WeakPolarHBondContact O-CB 3.49Å; F801-R805 PolarHBondContact O-N 3.35Å
802N81Confident72.9Confident76 Ų7683.2 Ų83.241%0.40643%0.426SS..Hα-helixtrans-64.9-41.3178-75.1-31.3000111.7T798 D799 R805 Q806T798-N802 WeakPolarHBondContact O-CB 3.41Å; T798-N802 VanDerWaalsContact O-CG 3.28Å; T798-N802 PolarHBondContact O-N 3.29Å; T798-N802 PolarHBondContact O-ND2 2.93Å; D799-N802 PolarHBondContact O-N 2.75Å; N802-R805 PolarHBondContact O-N 2.96Å; N802-Q806 WeakPolarHBondContact O-CB 2.97Å; N802-Q806 WeakPolarHBondContact O-CG 3.3Å; N802-Q806 PolarHBondContact O-N 3.37Å
803I86.4Confident74.7Confident6 Ų680.9 Ų80.93%0.03141%0.411CS..Hα-helixtrans-59-48.1175-72164.6000111.2F779 L782 V783 D799 D800 R805 Q806 M807 L838F779-I803 HydrophobicContact CE2-CG2 4.22Å; F779-I803 HydrophobicContact CZ-CG2 4.09Å; L782-I803 HydrophobicContact CD2-CD1 3.88Å; L782-I803 HydrophobicContact CD2-CG1 3.39Å; V783-I803 HydrophobicContact CG2-CG2 4.17Å; D799-I803 WeakPolarHBondContact O-CB 3.4Å; D799-I803 WeakPolarHBondContact O-CD1 3.42Å; D799-I803 WeakPolarHBondContact O-CG1 3.49Å; D799-I803 PolarHBondContact O-N 2.92Å; D800-I803 PolarHBondContact O-N 3.34Å; I803-R805 VanDerWaalsContact C-N 3.33Å; I803-R805 PolarHBondContact O-N 3.39Å; I803-Q806 PolarHBondContact O-N 3.42Å; I803-M807 WeakPolarHBondContact O-CB 3.48Å; I803-M807 PolarHBondContact O-N 2.87Å; I803-L838 HydrophobicContact CG2-CD1 3.52Å; I803-L838 HydrophobicContact CG2-CD2 3.76Å; I803-L838 HydrophobicContact CG2-CG 4.29Å
804N84.7Confident76.6Confident79 Ų7972.2 Ų72.242%0.42237%0.371SS..Hα-helixtrans-66.1-35.6-180-79-62.4000112.7D800 F801 S808D800-N804 PolarHBondContact O-N 3.44Å; D800-N804 PolarHBondContact O-ND2 3.43Å; F801-N804 PolarHBondContact O-N 2.81Å; N804-S808 PolarHBondContact O-N 2.67Å; N804-S808 VanDerWaalsContact O-N 3.11Å; N804-S808 PolarHBondContact O-OG 3.36Å
805R85.8Confident78.5Confident152 Ų15267.5 Ų67.557%0.57435%0.35SS*.Hα-helixtrans-67.4-45.6174.2-173179.3178.6-168.1-1111.5F801 N802 I803 S808 N809F801-R805 WeakPolarHBondContact O-CB 3.49Å; F801-R805 PolarHBondContact O-N 3.35Å; N802-R805 PolarHBondContact O-N 2.96Å; I803-R805 VanDerWaalsContact C-N 3.33Å; I803-R805 PolarHBondContact O-N 3.39Å; R805-S808 PolarHBondContact O-N 3.1Å; R805-N809 PolarHBondContact O-N 3.42Å
806Q90.6Very high79.8Confident91 Ų9174.8 Ų74.843%0.42538%0.375SS..Hα-helixtrans-60.9-44.3175.3-75.6-17711.900111.5F779 N802 I803 S808 N809 L810F779-Q806 HydrophobicContact CD2-CB 4.01Å; F779-Q806 HydrophobicContact CE2-CB 3.72Å; N802-Q806 WeakPolarHBondContact O-CB 2.97Å; N802-Q806 WeakPolarHBondContact O-CG 3.3Å; N802-Q806 PolarHBondContact O-N 3.37Å; I803-Q806 PolarHBondContact O-N 3.42Å; Q806-S808 VanDerWaalsContact C-N 3.31Å; Q806-S808 PolarHBondContact O-N 2.97Å; Q806-N809 PolarHBondContact O-N 3.41Å; Q806-L810 VanDerWaalsContact O-CB 3.23Å; Q806-L810 WeakPolarHBondContact O-CB 3.39Å; Q806-L810 PolarHBondContact O-N 3.04Å
807M91.1Very high81.3Confident7 Ų769.7 Ų69.73%0.03435%0.349CS..Hα-helixtrans-52.9-48.6173.5177.365.882.900111.8F779 I803 S811 L831 A834 K835 L838F779-M807 HydrophobicContact CE1-CB 4.19Å; F779-M807 HydrophobicContact CE1-CE 3.36Å; F779-M807 HydrophobicContact CE1-SD 3.71Å; F779-M807 HydrophobicContact CE2-CB 4.43Å; F779-M807 HydrophobicContact CZ-CB 3.66Å; F779-M807 HydrophobicContact CZ-CE 3.77Å; F779-M807 HydrophobicContact CZ-CG 4.46Å; F779-M807 HydrophobicContact CZ-SD 4.16Å; I803-M807 WeakPolarHBondContact O-CB 3.48Å; I803-M807 PolarHBondContact O-N 2.87Å; M807-S811 VanDerWaalsContact O-CB 3.25Å; M807-S811 WeakPolarHBondContact O-CB 3.4Å; M807-S811 PolarHBondContact O-N 3.1Å; M807-S811 PolarHBondContact O-OG 2.73Å; M807-L831 HydrophobicContact SD-CB 4.37Å; M807-L831 HydrophobicContact SD-CD2 4.08Å; M807-A834 HydrophobicContact CE-CB 3.89Å; M807-K835 HydrophobicContact CE-CB 3.76Å; M807-K835 VanDerWaalsContact CE-N 3.31Å; M807-K835 HydrophobicContact SD-CB 4.37Å; M807-L838 HydrophobicContact CE-CD1 3.81Å
808S88Confident83Confident74 Ų7470.2 Ų70.252%0.51736%0.355SS..Hα-helixtrans-65.8-47.5-176.9-57.80000111.3N804 R805 Q806 S811 E812N804-S808 PolarHBondContact O-N 2.67Å; N804-S808 VanDerWaalsContact O-N 3.11Å; N804-S808 PolarHBondContact O-OG 3.36Å; R805-S808 PolarHBondContact O-N 3.1Å; Q806-S808 VanDerWaalsContact C-N 3.31Å; Q806-S808 PolarHBondContact O-N 2.97Å; S808-S811 PolarHBondContact O-N 3.09Å; S808-E812 PolarHBondContact O-N 3.33Å
809N88.5Confident84.9Confident93 Ų9366 Ų6650%0.49733%0.329SS..Hα-helixtrans-62.1-45.7177.9-69.8-6.7000111.9R805 Q806 E812 H813R805-N809 PolarHBondContact O-N 3.42Å; Q806-N809 PolarHBondContact O-N 3.41Å; N809-E812 PolarHBondContact O-N 2.93Å; N809-H813 WeakPolarHBondContact O-CB 3.31Å; N809-H813 PolarHBondContact O-N 2.7Å
810L93.1Very high86.2Confident16 Ų1663 Ų638%0.08431%0.314CS..Hα-helixtrans-68.1-36.5-178.7-171.656000111.6E775 V776 F779 Q806 H813 V814 L831E775-L810 HydrophobicContact CB-CD1 4.01Å; V776-L810 HydrophobicContact CG2-CD1 4.25Å; V776-L810 HydrophobicContact CG2-CD2 3.93Å; V776-L810 HydrophobicContact CG2-CG 4.07Å; F779-L810 HydrophobicContact CB-CD2 3.72Å; F779-L810 HydrophobicContact CD1-CD2 4.26Å; F779-L810 HydrophobicContact CG-CD2 3.96Å; Q806-L810 VanDerWaalsContact O-CB 3.23Å; Q806-L810 WeakPolarHBondContact O-CB 3.39Å; Q806-L810 PolarHBondContact O-N 3.04Å; L810-H813 PolarHBondContact O-N 2.86Å; L810-V814 WeakPolarHBondContact O-CB 3.34Å; L810-V814 WeakPolarHBondContact O-CG2 3.33Å; L810-V814 PolarHBondContact O-N 2.99Å; L810-L831 HydrophobicContact CD2-CD2 3.9Å; L810-L831 HydrophobicContact CG-CD1 4.28Å; L810-L831 HydrophobicContact CG-CD2 4.16Å
811S90.3Very high87.4Confident40 Ų4061.9 Ų61.928%0.2831%0.307SS..Hα-helixtrans-64.6-39.2173.8-620000112.8M807 S808 S815M807-S811 VanDerWaalsContact O-CB 3.25Å; M807-S811 WeakPolarHBondContact O-CB 3.4Å; M807-S811 PolarHBondContact O-N 3.1Å; M807-S811 PolarHBondContact O-OG 2.73Å; S808-S811 PolarHBondContact O-N 3.09Å; S811-S815 VanDerWaalsContact O-CB 3.26Å; S811-S815 WeakPolarHBondContact O-CB 3.45Å; S811-S815 PolarHBondContact O-N 3.33Å; S811-S815 VanDerWaalsContact O-N 3.13Å; S811-S815 PolarHBondContact O-OG 3.15Å
812E84.2Confident88.6Confident91 Ų9157.6 Ų57.643%0.42529%0.289SS..Hα-helixtrans-67.5-42.7174.5-174.1175.9-179.900111.2S808 N809 S815 R816S808-E812 PolarHBondContact O-N 3.33Å; N809-E812 PolarHBondContact O-N 2.93Å; E812-S815 WeakPolarHBondContact O-CB 3.38Å; E812-S815 PolarHBondContact O-N 3.31Å; E812-R816 PolarHBondContact O-N 3.04Å; E812-R816 VanDerWaalsContact O-N 3.13Å; E812-R816 IonicContact OE1-CZ 2.61Å; E812-R816 IonicContact OE1-NH1 2.83Å; E812-R816 PolarHBondContact OE1-NH1 2.6Å; E812-R816 IonicContact OE1-NH2 3.71Å; E812-R816 PolarHBondContact OE1-NH2 2.76Å
813H89.1Confident89.3Confident73 Ų7355.8 Ų55.834%0.33828%0.278SS..Hα-helixtrans-60-54.4177.8-164.5170.8000111.9E768 R771 E775 N809 L810 S815 R816 A817E768-H813 IonicContact OE1-NE2 3.81Å; R771-H813 PolarHBondContact NH1-CE1 3.01Å; R771-H813 PolarHBondContact NH2-CE1 3.13Å; R771-H813 PolarHBondContact NH2-NE2 2.93Å; E775-H813 IonicContact OE2-ND1 2.85Å; N809-H813 WeakPolarHBondContact O-CB 3.31Å; N809-H813 PolarHBondContact O-N 2.7Å; L810-H813 PolarHBondContact O-N 2.86Å; H813-S815 PolarHBondContact O-N 3.36Å; H813-R816 PolarHBondContact O-N 2.94Å; H813-A817 PolarHBondContact O-N 3.4Å; H813-A817 VanDerWaalsContact O-N 3.09Å
814V90.8Very high89.6Confident0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-56.1-37.4175.5169.50000110.7L772 V776 L810 R816 A817 R824 L827 R828 L831L772-V814 HydrophobicContact CD2-CG2 4.25Å; V776-V814 HydrophobicContact CG2-CG2 4.03Å; L810-V814 WeakPolarHBondContact O-CB 3.34Å; L810-V814 WeakPolarHBondContact O-CG2 3.33Å; L810-V814 PolarHBondContact O-N 2.99Å; V814-R816 PolarHBondContact O-N 3.04Å; V814-A817 PolarHBondContact O-N 3.38Å; V814-R824 HydrophobicContact CG1-CG 4.16Å; V814-R824 WeakPolarHBondContact O-CD 3.25Å; V814-R824 WeakPolarHBondContact O-CG 3.39Å; V814-L827 HydrophobicContact CG1-CB 3.6Å; V814-L827 HydrophobicContact CG1-CD1 4.28Å; V814-L827 HydrophobicContact CG2-CB 4.2Å; V814-L827 HydrophobicContact CG2-CD1 4.26Å; V814-R828 HydrophobicContact CG1-CG 3.91Å; V814-L831 HydrophobicContact CB-CD1 4.29Å; V814-L831 HydrophobicContact CG2-CD1 3.91Å
815S84.1Confident90.1Very high50 Ų5055.9 Ų55.935%0.3528%0.275SS..Hα-helixtrans-70.2-28.2-177.5-70.20000115S811 E812 H813 R828S811-S815 VanDerWaalsContact O-CB 3.26Å; S811-S815 WeakPolarHBondContact O-CB 3.45Å; S811-S815 PolarHBondContact O-N 3.33Å; S811-S815 VanDerWaalsContact O-N 3.13Å; S811-S815 PolarHBondContact O-OG 3.15Å; E812-S815 WeakPolarHBondContact O-CB 3.38Å; E812-S815 PolarHBondContact O-N 3.31Å; H813-S815 PolarHBondContact O-N 3.36Å; S815-R828 VanDerWaalsContact CA-NH2 3.26Å; S815-R828 PolarHBondContact O-NH2 2.98Å; S815-R828 PolarHBondContact OG-NE 3.47Å; S815-R828 PolarHBondContact OG-NH2 3.43Å; S815-R828 VanDerWaalsContact OG-NH2 3.15Å
816R80.8Confident90.6Very high186 Ų18651.6 Ų51.670%0.70226%0.263SS*.Hα-helixtrans-97.9-6.3178.3-67.6-173.9178.4144.812.5113.5E812 H813 V814 V818E812-R816 PolarHBondContact O-N 3.04Å; E812-R816 VanDerWaalsContact O-N 3.13Å; E812-R816 IonicContact OE1-CZ 2.61Å; E812-R816 IonicContact OE1-NH1 2.83Å; E812-R816 PolarHBondContact OE1-NH1 2.6Å; E812-R816 IonicContact OE1-NH2 3.71Å; E812-R816 PolarHBondContact OE1-NH2 2.76Å; H813-R816 PolarHBondContact O-N 2.94Å; V814-R816 PolarHBondContact O-N 3.04Å; R816-V818 PolarHBondContact O-N 3.21Å
817A82.9Confident90.8Very high7 Ų747.3 Ų47.36%0.05824%0.243CC..  trans-64.1130-176.200000112.3L772 H813 V814 I819 R824L772-A817 HydrophobicContact CD1-CB 3.4Å; H813-A817 PolarHBondContact O-N 3.4Å; H813-A817 VanDerWaalsContact O-N 3.09Å; V814-A817 PolarHBondContact O-N 3.38Å; A817-I819 VanDerWaalsContact C-N 3.29Å; A817-I819 HydrophobicContact CB-CD1 4.19Å; A817-I819 HydrophobicContact CB-CG1 4.09Å; A817-I819 HydrophobicContact CB-CG2 4.11Å; A817-I819 PolarHBondContact O-N 3.04Å; A817-I819 VanDerWaalsContact O-N 3.1Å; A817-R824 PolarHBondContact O-NH1 3.09Å
818V86.8Confident91Very high85 Ų8552 Ų5252%0.51526%0.26SS..  trans-83.977.8172.2-175.70000107.9V742 L757 A765 R816V742-V818 HydrophobicContact CG1-CG1 3.96Å; V742-V818 HydrophobicContact CG2-CG1 4.02Å; L757-V818 HydrophobicContact CD1-CG1 3.85Å; A765-V818 WeakPolarHBondContact CA-O 3.49Å; A765-V818 VanDerWaalsContact CB-O 3.26Å; A765-V818 WeakPolarHBondContact CB-O 3.47Å; R816-V818 PolarHBondContact O-N 3.21Å
819I94.1Very high91.4Very high0 Ų051.6 Ų51.60%025%0.25CS..SBendtrans-132.8171.717965.5175.2000109.1A765 E768 A769 L772 A817 Q821 R824 L827A765-I819 WeakPolarHBondContact O-CG2 3.31Å; E768-I819 HydrophobicContact CB-CG2 3.93Å; E768-I819 HydrophobicContact CG-CG2 3.68Å; A769-I819 HydrophobicContact CB-CB 4.01Å; A769-I819 HydrophobicContact CB-CD1 4.32Å; A769-I819 HydrophobicContact CB-CG2 3.92Å; L772-I819 HydrophobicContact CD1-CD1 4.13Å; A817-I819 VanDerWaalsContact C-N 3.29Å; A817-I819 HydrophobicContact CB-CD1 4.19Å; A817-I819 HydrophobicContact CB-CG1 4.09Å; A817-I819 HydrophobicContact CB-CG2 4.11Å; A817-I819 PolarHBondContact O-N 3.04Å; A817-I819 VanDerWaalsContact O-N 3.1Å; I819-Q821 PolarHBondContact O-N 2.92Å; I819-R824 HydrophobicContact CD1-CB 3.96Å; I819-R824 HydrophobicContact CD1-CG 4.5Å; I819-R824 HydrophobicContact CG1-CB 3.88Å; I819-R824 HydrophobicContact CG1-CG 4.49Å; I819-R824 PolarHBondContact O-NH1 3.44Å; I819-L827 HydrophobicContact CD1-CD1 3.93Å
820S96.3Very high91.7Very high10 Ų1049.6 Ų49.67%0.0724%0.237CC..  trans-50.5131.1173.8174.20000110.7E655 I741 H822 H823 R824E655-S820 WeakPolarHBondContact OE1-CB 3.36Å; E655-S820 PolarHBondContact OE1-OG 2.96Å; E655-S820 VanDerWaalsContact OE1-OG 3.05Å; E655-S820 WeakPolarHBondContact OE2-CB 3.1Å; E655-S820 PolarHBondContact OE2-OG 2.9Å; I741-S820 CarbonylContact O-C 3.58Å; I741-S820 WeakPolarHBondContact O-CA 3.34Å; S820-H822 VanDerWaalsContact C-N 3.29Å; S820-H822 PolarHBondContact O-N 2.9Å; S820-H822 PolarHBondContact OG-CD2 3.2Å; S820-H822 PolarHBondContact OG-NE2 2.8Å; S820-H823 WeakPolarHBondContact O-CB 3.44Å; S820-H823 PolarHBondContact O-N 3.14Å; S820-H823 VanDerWaalsContact O-N 3.15Å; S820-R824 PolarHBondContact O-N 3.36Å
821Q95.8Very high91.8Very high23 Ų2349 Ų4911%0.10723%0.234CC..Hα-helixtrans-58.2-43.3-177173.6171.6-11.700111.4L651 I741 I819 H823 R824 E825L651-Q821 HydrophobicContact CD1-CB 4.2Å; L651-Q821 VanDerWaalsContact CD1-CD 3.49Å; L651-Q821 HydrophobicContact CD1-CG 3.84Å; I741-Q821 PolarHBondContact O-N 3.18Å; I819-Q821 PolarHBondContact O-N 2.92Å; Q821-H823 VanDerWaalsContact C-N 3.26Å; Q821-H823 PolarHBondContact O-N 2.99Å; Q821-R824 WeakPolarHBondContact O-CB 3.45Å; Q821-R824 PolarHBondContact O-N 3.41Å; Q821-E825 HydrophobicContact CG-CG 4.37Å; Q821-E825 WeakPolarHBondContact CG-OE1 3.33Å; Q821-E825 PolarHBondContact NE2-OE1 2.87Å; Q821-E825 WeakPolarHBondContact O-CG 3.26Å; Q821-E825 PolarHBondContact O-N 3.44Å
822H95.8Very high92Very high50 Ų5052.6 Ų52.623%0.23125%0.245CC..Hα-helixtrans-65.5-34.7-17884.780.4000111.2R648 L651 A652 E655 S820 N826R648-H822 HydrophobicContact CG-CB 3.73Å; R648-H822 WeakPolarHBondContact O-CB 3.37Å; L651-H822 HydrophobicContact CB-CB 4.29Å; A652-H822 HydrophobicContact CB-CB 4.17Å; E655-H822 IonicContact OE2-CD2 2.86Å; E655-H822 PolarHBondContact OE2-CD2 2.92Å; E655-H822 IonicContact OE2-NE2 3.57Å; E655-H822 PolarHBondContact OE2-NE2 3.5Å; S820-H822 VanDerWaalsContact C-N 3.29Å; S820-H822 PolarHBondContact O-N 2.9Å; S820-H822 PolarHBondContact OG-CD2 3.2Å; S820-H822 PolarHBondContact OG-NE2 2.8Å; H822-N826 PolarHBondContact O-N 3.36Å
823H95.5Very high92.5Very high39 Ų3953.8 Ų53.818%0.18125%0.249CC..Hα-helixtrans-67.1-46.4174.9-157.5147.9000110.8D773 S820 Q821 E825 N826 L827D773-H823 IonicContact OD1-NE2 2.81Å; D773-H823 IonicContact OD2-CD2 3.57Å; D773-H823 IonicContact OD2-CE1 3.45Å; D773-H823 PolarHBondContact OD2-CE1 2.89Å; D773-H823 VanDerWaalsContact OD2-CE1 3.3Å; D773-H823 IonicContact OD2-NE2 3.19Å; D773-H823 PolarHBondContact OD2-NE2 3.15Å; S820-H823 WeakPolarHBondContact O-CB 3.44Å; S820-H823 PolarHBondContact O-N 3.14Å; S820-H823 VanDerWaalsContact O-N 3.15Å; Q821-H823 VanDerWaalsContact C-N 3.26Å; Q821-H823 PolarHBondContact O-N 2.99Å; H823-E825 VanDerWaalsContact C-N 3.31Å; H823-E825 PolarHBondContact O-N 3.08Å; H823-N826 WeakPolarHBondContact O-CB 3.4Å; H823-N826 PolarHBondContact O-N 3.12Å; H823-N826 VanDerWaalsContact O-N 3.16Å; H823-L827 WeakPolarHBondContact O-CG 3.41Å; H823-L827 PolarHBondContact O-N 3.2Å
824R94Very high92.7Very high28 Ų2850.4 Ų50.411%0.10623%0.234CC..Hα-helixtrans-58.1-41.9175.7-170.8168.158.2-121.8-8.3112.2V742 V814 A817 I819 S820 Q821 L827 R828V742-R824 PolarHBondContact O-NH1 3.28Å; V742-R824 PolarHBondContact O-NH2 3Å; V814-R824 HydrophobicContact CG1-CG 4.16Å; V814-R824 WeakPolarHBondContact O-CD 3.25Å; V814-R824 WeakPolarHBondContact O-CG 3.39Å; A817-R824 PolarHBondContact O-NH1 3.09Å; I819-R824 HydrophobicContact CD1-CB 3.96Å; I819-R824 HydrophobicContact CD1-CG 4.5Å; I819-R824 HydrophobicContact CG1-CB 3.88Å; I819-R824 HydrophobicContact CG1-CG 4.49Å; I819-R824 PolarHBondContact O-NH1 3.44Å; S820-R824 PolarHBondContact O-N 3.36Å; Q821-R824 WeakPolarHBondContact O-CB 3.45Å; Q821-R824 PolarHBondContact O-N 3.41Å; R824-L827 PolarHBondContact O-N 2.83Å; R824-R828 WeakPolarHBondContact O-CG 3.43Å; R824-R828 PolarHBondContact O-N 3.33Å
825E94.4Very high92.7Very high58 Ų5855.5 Ų55.527%0.27126%0.256SS..Hα-helixtrans-65.7-39.4176.2-73176.4-172.100112.6R648 Q821 H823 R828 E829R648-E825 VanDerWaalsContact CB-OE2 3.3Å; R648-E825 WeakPolarHBondContact CB-OE2 3.47Å; R648-E825 HydrophobicContact CG-CB 4.29Å; R648-E825 WeakPolarHBondContact CG-OE2 3.48Å; Q821-E825 HydrophobicContact CG-CG 4.37Å; Q821-E825 WeakPolarHBondContact CG-OE1 3.33Å; Q821-E825 PolarHBondContact NE2-OE1 2.87Å; Q821-E825 WeakPolarHBondContact O-CG 3.26Å; Q821-E825 PolarHBondContact O-N 3.44Å; H823-E825 VanDerWaalsContact C-N 3.31Å; H823-E825 PolarHBondContact O-N 3.08Å; E825-R828 PolarHBondContact O-N 3.46Å; E825-E829 PolarHBondContact O-N 3.16Å
826N95.8Very high93.1Very high63 Ų6359 Ų5934%0.33727%0.265SS..Hα-helixtrans-62.4-46.3173.8-172.75.6000111.9H822 H823 R828 E829 K830H822-N826 PolarHBondContact O-N 3.36Å; H823-N826 WeakPolarHBondContact O-CB 3.4Å; H823-N826 PolarHBondContact O-N 3.12Å; H823-N826 VanDerWaalsContact O-N 3.16Å; N826-R828 VanDerWaalsContact C-N 3.34Å; N826-R828 PolarHBondContact O-N 3.2Å; N826-E829 WeakPolarHBondContact O-CB 3.22Å; N826-E829 PolarHBondContact O-N 2.87Å; N826-E829 VanDerWaalsContact O-N 3.15Å; N826-K830 WeakPolarHBondContact O-CG 3.34Å; N826-K830 PolarHBondContact O-N 2.62Å
827L96.4Very high93.5Very high0 Ų053.8 Ų53.80%025%0.25CS..Hα-helixtrans-60.6-42.1176.2-66176.9000112.1L772 D773 V776 V814 I819 H823 R824 E829 K830 L831L772-L827 HydrophobicContact CB-CD1 3.78Å; D773-L827 HydrophobicContact CB-CD2 4.36Å; D773-L827 WeakPolarHBondContact OD1-CD2 3.46Å; V776-L827 HydrophobicContact CB-CD2 4.11Å; V776-L827 HydrophobicContact CG1-CD2 4.29Å; V776-L827 HydrophobicContact CG2-CD2 4.08Å; V814-L827 HydrophobicContact CG1-CB 3.6Å; V814-L827 HydrophobicContact CG1-CD1 4.28Å; V814-L827 HydrophobicContact CG2-CB 4.2Å; V814-L827 HydrophobicContact CG2-CD1 4.26Å; I819-L827 HydrophobicContact CD1-CD1 3.93Å; H823-L827 WeakPolarHBondContact O-CG 3.41Å; H823-L827 PolarHBondContact O-N 3.2Å; R824-L827 PolarHBondContact O-N 2.83Å; L827-E829 VanDerWaalsContact C-N 3.34Å; L827-E829 PolarHBondContact O-N 3.38Å; L827-K830 PolarHBondContact O-N 3.42Å; L827-L831 WeakPolarHBondContact O-CG 3.34Å; L827-L831 PolarHBondContact O-N 2.68Å
828R94.7Very high93.7Very high105 Ų10554.1 Ų54.140%0.39625%0.251SS..Hα-helixtrans-60.7-41.5173.9-77176.6169.8165.8-2.5112V814 S815 R824 E825 N826 L831 F832V814-R828 HydrophobicContact CG1-CG 3.91Å; S815-R828 VanDerWaalsContact CA-NH2 3.26Å; S815-R828 PolarHBondContact O-NH2 2.98Å; S815-R828 PolarHBondContact OG-NE 3.47Å; S815-R828 PolarHBondContact OG-NH2 3.43Å; S815-R828 VanDerWaalsContact OG-NH2 3.15Å; R824-R828 WeakPolarHBondContact O-CG 3.43Å; R824-R828 PolarHBondContact O-N 3.33Å; E825-R828 PolarHBondContact O-N 3.46Å; N826-R828 VanDerWaalsContact C-N 3.34Å; N826-R828 PolarHBondContact O-N 3.2Å; R828-L831 PolarHBondContact O-N 3.46Å; R828-F832 VanDerWaalsContact O-CB 3.31Å; R828-F832 WeakPolarHBondContact O-CB 3.11Å; R828-F832 PolarHBondContact O-N 3.01Å
829E95.3Very high93.7Very high66 Ų6654 Ų5431%0.30825%0.248SC..Hα-helixtrans-64.5-44.4176.7-166.8-168.8152.300111.7R648 E825 N826 L827 F832 K833R648-E829 IonicContact CZ-OE2 3.16Å; R648-E829 IonicContact NH1-OE2 2.68Å; R648-E829 PolarHBondContact NH1-OE2 3.26Å; R648-E829 IonicContact NH2-OE2 3.39Å; E825-E829 PolarHBondContact O-N 3.16Å; N826-E829 WeakPolarHBondContact O-CB 3.22Å; N826-E829 PolarHBondContact O-N 2.87Å; N826-E829 VanDerWaalsContact O-N 3.15Å; L827-E829 VanDerWaalsContact C-N 3.34Å; L827-E829 PolarHBondContact O-N 3.38Å; E829-F832 PolarHBondContact O-N 3.06Å; E829-K833 WeakPolarHBondContact O-CG 3.49Å; E829-K833 PolarHBondContact O-N 3.35Å; E829-K833 WeakPolarHBondContact OE1-CE 3.23Å; E829-K833 IonicContact OE1-NZ 3.6Å; E829-K833 PolarHBondContact OE1-NZ 3.06Å
830K96.1Very high93.4Very high51 Ų5156.7 Ų56.722%0.22227%0.27CS..Hα-helixtrans-58.2-47.9175.3-73.1-177.1-175.4178.90111.7D773 V776 N777 I780 N826 L827 F832 K833 A834D773-K830 IonicContact OD1-NZ 3.53Å; D773-K830 PolarHBondContact OD1-NZ 3.07Å; V776-K830 HydrophobicContact CG1-CB 3.96Å; V776-K830 HydrophobicContact CG1-CD 4.09Å; N777-K830 PolarHBondContact OD1-NZ 2.97Å; I780-K830 HydrophobicContact CD1-CB 3.9Å; I780-K830 HydrophobicContact CD1-CD 4.35Å; I780-K830 HydrophobicContact CD1-CG 4.49Å; N826-K830 WeakPolarHBondContact O-CG 3.34Å; N826-K830 PolarHBondContact O-N 2.62Å; L827-K830 PolarHBondContact O-N 3.42Å; K830-F832 PolarHBondContact O-N 3.47Å; K830-K833 PolarHBondContact O-N 2.98Å; K830-A834 PolarHBondContact O-N 3.45Å
831L94.9Very high92.7Very high4 Ų457.3 Ų57.32%0.02127%0.271CS..Hα-helixtrans-63.8-39.5176.8-73.1172.6000112.2V776 F779 M807 L810 V814 L827 R828 K833 A834 K835V776-L831 HydrophobicContact CG1-CD2 4.17Å; V776-L831 HydrophobicContact CG1-CG 4.15Å; V776-L831 HydrophobicContact CG2-CD1 4.15Å; V776-L831 HydrophobicContact CG2-CD2 4.17Å; V776-L831 HydrophobicContact CG2-CG 4.12Å; F779-L831 HydrophobicContact CD1-CD2 3.96Å; F779-L831 HydrophobicContact CE1-CD2 4.34Å; M807-L831 HydrophobicContact SD-CB 4.37Å; M807-L831 HydrophobicContact SD-CD2 4.08Å; L810-L831 HydrophobicContact CD2-CD2 3.9Å; L810-L831 HydrophobicContact CG-CD1 4.28Å; L810-L831 HydrophobicContact CG-CD2 4.16Å; V814-L831 HydrophobicContact CB-CD1 4.29Å; V814-L831 HydrophobicContact CG2-CD1 3.91Å; L827-L831 WeakPolarHBondContact O-CG 3.34Å; L827-L831 PolarHBondContact O-N 2.68Å; R828-L831 PolarHBondContact O-N 3.46Å; L831-K833 PolarHBondContact O-N 2.95Å; L831-A834 PolarHBondContact O-N 3.36Å; L831-K835 WeakPolarHBondContact O-CB 3.3Å; L831-K835 PolarHBondContact O-N 2.71Å
832F94.3Very high91.9Very high116 Ų11659.9 Ų59.951%0.50929%0.285SS..Hα-helixtrans-62.9-40.2175.3-179.4-109.8000112.4R828 E829 K830 K835 K836R828-F832 VanDerWaalsContact O-CB 3.31Å; R828-F832 WeakPolarHBondContact O-CB 3.11Å; R828-F832 PolarHBondContact O-N 3.01Å; E829-F832 PolarHBondContact O-N 3.06Å; K830-F832 PolarHBondContact O-N 3.47Å; F832-K835 PolarHBondContact O-N 2.85Å; F832-K836 HydrophobicContact CE1-CD 4.05Å; F832-K836 HydrophobicContact CZ-CD 4.38Å; F832-K836 VanDerWaalsContact CZ-CE 3.4Å; F832-K836 PolarHBondContact O-N 2.88Å
833K94.8Very high91.3Very high115 Ų11564.6 Ų64.650%0.531%0.305SS..Hα-helixtrans-62.9-45.2173-73174.7-175.9166.30111.6E829 K830 L831 K835 K836 L837E829-K833 WeakPolarHBondContact O-CG 3.49Å; E829-K833 PolarHBondContact O-N 3.35Å; E829-K833 WeakPolarHBondContact OE1-CE 3.23Å; E829-K833 IonicContact OE1-NZ 3.6Å; E829-K833 PolarHBondContact OE1-NZ 3.06Å; K830-K833 PolarHBondContact O-N 2.98Å; L831-K833 PolarHBondContact O-N 2.95Å; K833-K835 VanDerWaalsContact C-N 3.31Å; K833-K835 PolarHBondContact O-N 3.13Å; K833-K836 WeakPolarHBondContact O-CB 3.35Å; K833-K836 PolarHBondContact O-N 3.4Å; K833-L837 PolarHBondContact O-N 2.76Å; K833-L837 VanDerWaalsContact O-N 3.15Å
834A92.9Very high90.8Very high3 Ų365.7 Ų65.73%0.02532%0.321CS..Hα-helixtrans-60.6-39.7175.600000112.2F779 I780 V783 M807 K830 L831 L837 L838F779-A834 HydrophobicContact CE1-CB 4.44Å; I780-A834 HydrophobicContact CG1-CB 4.14Å; V783-A834 HydrophobicContact CG1-CB 4.48Å; V783-A834 HydrophobicContact CG2-CB 4.48Å; M807-A834 HydrophobicContact CE-CB 3.89Å; K830-A834 PolarHBondContact O-N 3.45Å; L831-A834 PolarHBondContact O-N 3.36Å; A834-L837 WeakPolarHBondContact O-CB 3.18Å; A834-L837 PolarHBondContact O-N 3.3Å; A834-L838 PolarHBondContact O-N 3.45Å; A834-L838 VanDerWaalsContact O-N 3.14Å
835K91.7Very high90.1Very high107 Ų10766 Ų6647%0.46533%0.327SS..Hα-helixtrans-61.7-44.8174.8-174173.1-179.8171.90112.2M807 L831 F832 K833 L837 L838 D839M807-K835 HydrophobicContact CE-CB 3.76Å; M807-K835 VanDerWaalsContact CE-N 3.31Å; M807-K835 HydrophobicContact SD-CB 4.37Å; L831-K835 WeakPolarHBondContact O-CB 3.3Å; L831-K835 PolarHBondContact O-N 2.71Å; F832-K835 PolarHBondContact O-N 2.85Å; K833-K835 VanDerWaalsContact C-N 3.31Å; K833-K835 PolarHBondContact O-N 3.13Å; K835-L837 VanDerWaalsContact C-N 3.25Å; K835-L837 PolarHBondContact O-N 3.03Å; K835-L838 PolarHBondContact O-N 3.31Å; K835-L838 VanDerWaalsContact O-N 3.16Å; K835-D839 PolarHBondContact O-N 2.98Å
836K92.2Very high89.4Confident123 Ų12367.7 Ų67.754%0.53533%0.334SS..Hα-helixtrans-58.1-37.6175.1-78.8-175.6169.3177.80112.7F832 K833 A840F832-K836 HydrophobicContact CE1-CD 4.05Å; F832-K836 HydrophobicContact CZ-CD 4.38Å; F832-K836 VanDerWaalsContact CZ-CE 3.4Å; F832-K836 PolarHBondContact O-N 2.88Å; K833-K836 WeakPolarHBondContact O-CB 3.35Å; K833-K836 PolarHBondContact O-N 3.4Å; K836-A840 VanDerWaalsContact O-CB 3.31Å; K836-A840 WeakPolarHBondContact O-CB 3.36Å; K836-A840 PolarHBondContact O-N 3.42Å
837L89.9Confident88.9Confident77 Ų7768.5 Ų68.540%0.40334%0.341SS..Hα-helixtrans-66.5-42177-67.4174.2000111.9V783 I787 K833 A834 K835 A840 R841V783-L837 HydrophobicContact CG1-CB 4.41Å; I787-L837 HydrophobicContact CD1-CB 3.67Å; I787-L837 HydrophobicContact CD1-CD1 4.39Å; I787-L837 HydrophobicContact CD1-CG 4.5Å; K833-L837 PolarHBondContact O-N 2.76Å; K833-L837 VanDerWaalsContact O-N 3.15Å; A834-L837 WeakPolarHBondContact O-CB 3.18Å; A834-L837 PolarHBondContact O-N 3.3Å; K835-L837 VanDerWaalsContact C-N 3.25Å; K835-L837 PolarHBondContact O-N 3.03Å; L837-A840 PolarHBondContact O-N 2.93Å; L837-R841 WeakPolarHBondContact O-CB 3.46Å; L837-R841 PolarHBondContact O-N 2.94Å
838L87Confident88.3Confident14 Ų1471.4 Ų71.47%0.07337%0.365CS..Hα-helixtrans-63.9-45.2174.8-68171.6000112.1V783 I803 M807 A834 K835 A840 R841 D842V783-L838 HydrophobicContact CG1-CD2 3.9Å; V783-L838 HydrophobicContact CG1-CG 3.9Å; V783-L838 HydrophobicContact CG2-CD1 4.04Å; V783-L838 HydrophobicContact CG2-CD2 4.27Å; V783-L838 HydrophobicContact CG2-CG 4.26Å; I803-L838 HydrophobicContact CG2-CD1 3.52Å; I803-L838 HydrophobicContact CG2-CD2 3.76Å; I803-L838 HydrophobicContact CG2-CG 4.29Å; M807-L838 HydrophobicContact CE-CD1 3.81Å; A834-L838 PolarHBondContact O-N 3.45Å; A834-L838 VanDerWaalsContact O-N 3.14Å; K835-L838 PolarHBondContact O-N 3.31Å; K835-L838 VanDerWaalsContact O-N 3.16Å; L838-A840 VanDerWaalsContact C-N 3.31Å; L838-A840 PolarHBondContact O-N 2.91Å; L838-R841 WeakPolarHBondContact O-CB 3.47Å; L838-R841 PolarHBondContact O-N 3.21Å; L838-D842 PolarHBondContact O-N 3.14Å
839D86.3Confident87.9Confident83 Ų8367.4 Ų67.444%0.44435%0.351SS..Hα-helixtrans-62.6-38.8177.8-67.6-21.5000111.4K835 K843K835-D839 PolarHBondContact O-N 2.98Å; D839-K843 WeakPolarHBondContact O-CB 3.48Å; D839-K843 PolarHBondContact O-N 3.39Å
840A87Confident87.6Confident56 Ų5666.1 Ų66.146%0.46335%0.348SS..Hα-helixtrans-66.5-41175.400000112.2K836 L837 L838 K843 A844K836-A840 VanDerWaalsContact O-CB 3.31Å; K836-A840 WeakPolarHBondContact O-CB 3.36Å; K836-A840 PolarHBondContact O-N 3.42Å; L837-A840 PolarHBondContact O-N 2.93Å; L838-A840 VanDerWaalsContact C-N 3.31Å; L838-A840 PolarHBondContact O-N 2.91Å; A840-K843 PolarHBondContact O-N 3.31Å; A840-A844 WeakPolarHBondContact O-CB 3.28Å; A840-A844 PolarHBondContact O-N 3.22Å
841R81.8Confident87.3Confident23 Ų2367.1 Ų67.19%0.08736%0.361CS..Hα-helixtrans-60.9-49.1174.5176.8-175168.9-146.8-20.9111.4S786 I787 H790 N795 D800 L837 L838 K843 A844 S845S786-R841 PolarHBondContact O-NH1 3.1Å; S786-R841 PolarHBondContact OG-NH1 3.33Å; I787-R841 HydrophobicContact CG1-CB 4.42Å; H790-R841 PolarHBondContact CD2-NE 3.16Å; H790-R841 PolarHBondContact CD2-NH2 2.72Å; H790-R841 PolarHBondContact NE2-NH2 3.39Å; N795-R841 PolarHBondContact ND2-NH2 3.13Å; N795-R841 VanDerWaalsContact ND2-NH2 3.19Å; D800-R841 VanDerWaalsContact CG-NH2 3.33Å; D800-R841 IonicContact OD1-CZ 2.69Å; D800-R841 IonicContact OD1-NH1 3.33Å; D800-R841 PolarHBondContact OD1-NH1 3.27Å; D800-R841 IonicContact OD1-NH2 2.86Å; D800-R841 PolarHBondContact OD1-NH2 2.96Å; D800-R841 IonicContact OD2-CZ 3.68Å; D800-R841 IonicContact OD2-NH2 2.71Å; D800-R841 PolarHBondContact OD2-NH2 2.88Å; L837-R841 WeakPolarHBondContact O-CB 3.46Å; L837-R841 PolarHBondContact O-N 2.94Å; L838-R841 WeakPolarHBondContact O-CB 3.47Å; L838-R841 PolarHBondContact O-N 3.21Å; R841-K843 VanDerWaalsContact C-N 3.34Å; R841-K843 PolarHBondContact O-N 3.24Å; R841-A844 PolarHBondContact O-N 3.24Å; R841-S845 WeakPolarHBondContact O-CB 3.44Å; R841-S845 PolarHBondContact O-N 3.43Å
842D79.9Confident87.1Confident76 Ų7672.4 Ų72.441%0.40638%0.384SS..Hα-helixtrans-60.9-43.1178175.656.7000111.5L838 S845 K846L838-D842 PolarHBondContact O-N 3.14Å; D842-S845 PolarHBondContact O-N 2.87Å; D842-K846 VanDerWaalsContact CG-NZ 3.27Å; D842-K846 WeakPolarHBondContact O-CB 3.43Å; D842-K846 WeakPolarHBondContact O-CG 3.28Å; D842-K846 PolarHBondContact O-N 3.29Å; D842-K846 WeakPolarHBondContact OD1-CE 3.38Å; D842-K846 IonicContact OD1-NZ 3.84Å; D842-K846 PolarHBondContact OD1-NZ 3.29Å; D842-K846 WeakPolarHBondContact OD2-CE 3.22Å; D842-K846 IonicContact OD2-NZ 2.77Å; D842-K846 PolarHBondContact OD2-NZ 2.91Å
843K83.3Confident86.9Confident149 Ų14966.9 Ų66.965%0.64836%0.36SS*.Hα-helixtrans-61.1-46175-172.5177.6179.9-178.10112.1D839 A840 R841 K846 T847D839-K843 WeakPolarHBondContact O-CB 3.48Å; D839-K843 PolarHBondContact O-N 3.39Å; A840-K843 PolarHBondContact O-N 3.31Å; R841-K843 VanDerWaalsContact C-N 3.34Å; R841-K843 PolarHBondContact O-N 3.24Å; K843-K846 PolarHBondContact O-N 3.2Å; K843-T847 PolarHBondContact O-N 3.2Å; K843-T847 PolarHBondContact O-OG1 2.91Å; K843-T847 VanDerWaalsContact O-OG1 3.08Å
844A83.2Confident86.8Confident62 Ų6264.1 Ų64.151%0.51235%0.35SS..Hα-helixtrans-63.3-43.3179.100000112A840 R841 T847 A848A840-A844 WeakPolarHBondContact O-CB 3.28Å; A840-A844 PolarHBondContact O-N 3.22Å; R841-A844 PolarHBondContact O-N 3.24Å; A844-T847 PolarHBondContact O-N 3.16Å; A844-A848 PolarHBondContact O-N 2.91Å
845S79.5Confident86.8Confident34 Ų3468 Ų6824%0.23837%0.368CS..Hα-helixtrans-60-48.3175.9-175.80000111.6R841 D842 T847 A848 I849R841-S845 WeakPolarHBondContact O-CB 3.44Å; R841-S845 PolarHBondContact O-N 3.43Å; D842-S845 PolarHBondContact O-N 2.87Å; S845-T847 VanDerWaalsContact C-N 3.32Å; S845-T847 PolarHBondContact O-N 3.27Å; S845-A848 PolarHBondContact O-N 3.1Å; S845-I849 WeakPolarHBondContact O-CG1 3.45Å; S845-I849 PolarHBondContact O-N 3.17Å
846K81.2Confident86.9Confident95 Ų9565.8 Ų65.841%0.41336%0.359SS..Hα-helixtrans-60.5-38.9175.8-74.5169.9178.6162.20112.6D842 K843 T850D842-K846 VanDerWaalsContact CG-NZ 3.27Å; D842-K846 WeakPolarHBondContact O-CB 3.43Å; D842-K846 WeakPolarHBondContact O-CG 3.28Å; D842-K846 PolarHBondContact O-N 3.29Å; D842-K846 WeakPolarHBondContact OD1-CE 3.38Å; D842-K846 IonicContact OD1-NZ 3.84Å; D842-K846 PolarHBondContact OD1-NZ 3.29Å; D842-K846 WeakPolarHBondContact OD2-CE 3.22Å; D842-K846 IonicContact OD2-NZ 2.77Å; D842-K846 PolarHBondContact OD2-NZ 2.91Å; K843-K846 PolarHBondContact O-N 3.2Å; K846-T850 WeakPolarHBondContact O-CB 3.4Å; K846-T850 PolarHBondContact O-N 2.69Å; K846-T850 PolarHBondContact O-OG1 3.09Å
847T84.9Confident87Confident79 Ų7959.9 Ų59.949%0.48533%0.334SS..Hα-helixtrans-64.9-44.6175.3-62.70000111.6K843 A844 S845 T850 S851K843-T847 PolarHBondContact O-N 3.2Å; K843-T847 PolarHBondContact O-OG1 2.91Å; K843-T847 VanDerWaalsContact O-OG1 3.08Å; A844-T847 PolarHBondContact O-N 3.16Å; S845-T847 VanDerWaalsContact C-N 3.32Å; S845-T847 PolarHBondContact O-N 3.27Å; T847-T850 WeakPolarHBondContact O-CB 3.49Å; T847-T850 PolarHBondContact O-N 3.42Å; T847-S851 PolarHBondContact O-N 3.3Å; T847-S851 PolarHBondContact O-OG 3.37Å
848A84.2Confident87.2Confident61 Ų6159.9 Ų59.950%0.50433%0.328SS..Hα-helixtrans-61.9-45.117800000112.4A844 S845 T850 S851 K852A844-A848 PolarHBondContact O-N 2.91Å; S845-A848 PolarHBondContact O-N 3.1Å; A848-T850 VanDerWaalsContact C-N 3.32Å; A848-T850 PolarHBondContact O-N 2.69Å; A848-S851 PolarHBondContact O-N 2.82Å; A848-K852 PolarHBondContact O-N 2.99Å
849I85.8Confident87.5Confident21 Ų2163.4 Ų63.411%0.10835%0.347CS..Hα-helixtrans-59.3-44.9174.4-65.7166.4000110.4S845 S851 K852 V853 D877 Q879 I884S845-I849 WeakPolarHBondContact O-CG1 3.45Å; S845-I849 PolarHBondContact O-N 3.17Å; I849-S851 PolarHBondContact O-N 3.25Å; I849-K852 PolarHBondContact O-N 3.43Å; I849-V853 HydrophobicContact CG2-CG2 4.27Å; I849-V853 WeakPolarHBondContact O-CB 3.46Å; I849-V853 VanDerWaalsContact O-CG2 3.32Å; I849-V853 WeakPolarHBondContact O-CG2 3.35Å; I849-V853 PolarHBondContact O-N 2.95Å; I849-D877 WeakPolarHBondContact CG2-O 3.28Å; I849-Q879 HydrophobicContact CD1-CG 4.29Å; I849-I884 HydrophobicContact CB-CD1 4.38Å; I849-I884 HydrophobicContact CG2-CD1 3.85Å
850T88.7Confident87.8Confident40 Ų4060.7 Ų60.725%0.24533%0.332CS..Hα-helixtrans-59.4-47178.6-55.20000111.5K846 T847 A848 L854 I884K846-T850 WeakPolarHBondContact O-CB 3.4Å; K846-T850 PolarHBondContact O-N 2.69Å; K846-T850 PolarHBondContact O-OG1 3.09Å; T847-T850 WeakPolarHBondContact O-CB 3.49Å; T847-T850 PolarHBondContact O-N 3.42Å; A848-T850 VanDerWaalsContact C-N 3.32Å; A848-T850 PolarHBondContact O-N 2.69Å; T850-L854 HydrophobicContact CG2-CD1 4.01Å; T850-L854 HydrophobicContact CG2-CG 4.47Å; T850-L854 WeakPolarHBondContact O-CB 3.36Å; T850-L854 VanDerWaalsContact O-CG 3.31Å; T850-L854 WeakPolarHBondContact O-CG 3.39Å; T850-L854 PolarHBondContact O-N 2.76Å; T850-I884 HydrophobicContact CG2-CG1 4.4Å; T850-I884 VanDerWaalsContact OG1-CD1 3.29Å; T850-I884 WeakPolarHBondContact OG1-CD1 3.21Å; T850-I884 WeakPolarHBondContact OG1-CG1 3.43Å
851S89.3Confident88Confident72 Ų7258 Ų5850%0.50331%0.31SS..Hα-helixtrans-64.1-43.1179-66.30000112.6T847 A848 I849 L854 E855T847-S851 PolarHBondContact O-N 3.3Å; T847-S851 PolarHBondContact O-OG 3.37Å; A848-S851 PolarHBondContact O-N 2.82Å; I849-S851 PolarHBondContact O-N 3.25Å; S851-L854 PolarHBondContact O-N 2.93Å; S851-E855 PolarHBondContact O-N 3.38Å
852K90.4Very high88.5Confident115 Ų11561.5 Ų61.550%0.533%0.327SS..Hα-helixtrans-60.1-49.9176.5-179.6-173.5171.2-167.70111.3A848 I849 L854 E855 E856 D877A848-K852 PolarHBondContact O-N 2.99Å; I849-K852 PolarHBondContact O-N 3.43Å; K852-L854 VanDerWaalsContact C-N 3.35Å; K852-L854 PolarHBondContact O-N 2.74Å; K852-E855 PolarHBondContact O-N 2.76Å; K852-E856 WeakPolarHBondContact O-CB 3.43Å; K852-E856 PolarHBondContact O-N 3.24Å; K852-D877 IonicContact NZ-OD2 3.03Å; K852-D877 PolarHBondContact NZ-OD2 2.88Å
853V91.9Very high89Confident0 Ų061.9 Ų61.90%034%0.335CS..Hα-helixtrans-65.1-37.7-178.8169.40000111.8I849 A857 F876 A878 I884 A888I849-V853 HydrophobicContact CG2-CG2 4.27Å; I849-V853 WeakPolarHBondContact O-CB 3.46Å; I849-V853 VanDerWaalsContact O-CG2 3.32Å; I849-V853 WeakPolarHBondContact O-CG2 3.35Å; I849-V853 PolarHBondContact O-N 2.95Å; V853-A857 VanDerWaalsContact O-CB 3.29Å; V853-A857 WeakPolarHBondContact O-CB 3.46Å; V853-A857 PolarHBondContact O-N 2.66Å; V853-F876 HydrophobicContact CB-CD1 4.46Å; V853-F876 HydrophobicContact CG1-CB 4.05Å; V853-F876 HydrophobicContact CG1-CD1 3.7Å; V853-F876 HydrophobicContact CG1-CD2 4.43Å; V853-F876 HydrophobicContact CG1-CE1 4.22Å; V853-F876 HydrophobicContact CG1-CG 3.81Å; V853-F876 HydrophobicContact CG2-CB 4.36Å; V853-A878 HydrophobicContact CG2-CB 4.07Å; V853-I884 HydrophobicContact CB-CG2 3.69Å; V853-I884 HydrophobicContact CG1-CG2 3.61Å; V853-I884 HydrophobicContact CG2-CG2 4.03Å; V853-A888 HydrophobicContact CG1-CB 3.83Å
854L92.3Very high89.4Confident57 Ų5757.1 Ų57.130%0.29832%0.317SS..Hα-helixtrans-66.8-41.2175.9-78.4176.7000112.7T850 S851 K852 A857 R858 E891T850-L854 HydrophobicContact CG2-CD1 4.01Å; T850-L854 HydrophobicContact CG2-CG 4.47Å; T850-L854 WeakPolarHBondContact O-CB 3.36Å; T850-L854 VanDerWaalsContact O-CG 3.31Å; T850-L854 WeakPolarHBondContact O-CG 3.39Å; T850-L854 PolarHBondContact O-N 2.76Å; S851-L854 PolarHBondContact O-N 2.93Å; K852-L854 VanDerWaalsContact C-N 3.35Å; K852-L854 PolarHBondContact O-N 2.74Å; L854-A857 PolarHBondContact O-N 3.13Å; L854-R858 WeakPolarHBondContact O-CB 3.49Å; L854-R858 PolarHBondContact O-N 2.74Å; L854-E891 HydrophobicContact CD2-CB 4.39Å
855E92.2Very high89.5Confident84 Ų8456.1 Ų56.139%0.39331%0.309SS..Hα-helixtrans-66.4-41.5176.1-178.661.5-177.500111.4S851 K852 A857 R858 L859S851-E855 PolarHBondContact O-N 3.38Å; K852-E855 PolarHBondContact O-N 2.76Å; E855-A857 VanDerWaalsContact C-N 3.34Å; E855-A857 PolarHBondContact O-N 2.87Å; E855-R858 WeakPolarHBondContact O-CB 3.49Å; E855-R858 PolarHBondContact O-N 3.19Å; E855-R858 IonicContact OE1-CZ 2.93Å; E855-R858 IonicContact OE1-NE 3.55Å; E855-R858 IonicContact OE1-NH2 2.87Å; E855-R858 PolarHBondContact OE1-NH2 3.3Å; E855-R858 IonicContact OE2-CZ 3.67Å; E855-R858 IonicContact OE2-NE 2.72Å; E855-R858 PolarHBondContact OE2-NE 3.21Å; E855-R858 IonicContact OE2-NH2 2.7Å; E855-R858 PolarHBondContact OE2-NH2 3.23Å; E855-L859 HydrophobicContact CG-CD1 4.31Å; E855-L859 WeakPolarHBondContact O-CG 3.45Å; E855-L859 PolarHBondContact O-N 3.02Å
856E94.1Very high89.8Confident60 Ų6062.1 Ų62.128%0.2834%0.338SS..Hα-helixtrans-60.6-43.1173.6-171.5-179.1169.600111.6K852 R858 L859 L860 H874 F876K852-E856 WeakPolarHBondContact O-CB 3.43Å; K852-E856 PolarHBondContact O-N 3.24Å; E856-R858 VanDerWaalsContact C-N 3.35Å; E856-R858 PolarHBondContact O-N 2.82Å; E856-L859 PolarHBondContact O-N 3.26Å; E856-L860 VanDerWaalsContact O-CB 3.22Å; E856-L860 WeakPolarHBondContact O-CB 3.32Å; E856-L860 PolarHBondContact O-N 3.07Å; E856-H874 IonicContact OE1-CD2 3.85Å; E856-H874 IonicContact OE1-CE1 3.79Å; E856-H874 IonicContact OE1-NE2 2.99Å; E856-H874 PolarHBondContact OE1-NE2 2.75Å; E856-F876 HydrophobicContact CB-CD1 4.37Å; E856-F876 HydrophobicContact CB-CE1 3.96Å; E856-F876 HydrophobicContact CG-CD1 4.18Å; E856-F876 HydrophobicContact CG-CE1 3.82Å
857A94Very high90.1Very high0 Ų059.5 Ų59.50%033%0.332CS..Hα-helixtrans-62.8-39.3176.100000112.7V853 L854 E855 G861 F876 A888 E891 I892V853-A857 VanDerWaalsContact O-CB 3.29Å; V853-A857 WeakPolarHBondContact O-CB 3.46Å; V853-A857 PolarHBondContact O-N 2.66Å; L854-A857 PolarHBondContact O-N 3.13Å; E855-A857 VanDerWaalsContact C-N 3.34Å; E855-A857 PolarHBondContact O-N 2.87Å; A857-G861 PolarHBondContact O-N 2.94Å; A857-F876 HydrophobicContact CB-CE1 4.03Å; A857-F876 HydrophobicContact CB-CZ 3.67Å; A857-A888 HydrophobicContact CB-CB 3.86Å; A857-E891 HydrophobicContact CB-CB 4.26Å; A857-E891 HydrophobicContact CB-CG 4.48Å; A857-I892 HydrophobicContact CB-CD1 4.4Å; A857-I892 HydrophobicContact CB-CG1 4.11Å
858R93.4Very high90.1Very high77 Ų7762 Ų6229%0.29135%0.349SS..Hα-helixtrans-63.7-51.6175.9-173.5-177.57489.8-4.7111.4L854 E855 E856 L860 G861 E862 E891 I895L854-R858 WeakPolarHBondContact O-CB 3.49Å; L854-R858 PolarHBondContact O-N 2.74Å; E855-R858 WeakPolarHBondContact O-CB 3.49Å; E855-R858 PolarHBondContact O-N 3.19Å; E855-R858 IonicContact OE1-CZ 2.93Å; E855-R858 IonicContact OE1-NE 3.55Å; E855-R858 IonicContact OE1-NH2 2.87Å; E855-R858 PolarHBondContact OE1-NH2 3.3Å; E855-R858 IonicContact OE2-CZ 3.67Å; E855-R858 IonicContact OE2-NE 2.72Å; E855-R858 PolarHBondContact OE2-NE 3.21Å; E855-R858 IonicContact OE2-NH2 2.7Å; E855-R858 PolarHBondContact OE2-NH2 3.23Å; E856-R858 VanDerWaalsContact C-N 3.35Å; E856-R858 PolarHBondContact O-N 2.82Å; R858-L860 VanDerWaalsContact C-N 3.34Å; R858-L860 PolarHBondContact O-N 2.85Å; R858-G861 PolarHBondContact O-N 3.29Å; R858-E862 IonicContact CZ-OE1 3.8Å; R858-E862 IonicContact NH1-OE1 2.79Å; R858-E862 PolarHBondContact NH1-OE1 2.97Å; R858-E862 IonicContact NH1-OE2 3.55Å; R858-E862 WeakPolarHBondContact O-CG 3.46Å; R858-E862 PolarHBondContact O-N 3.11Å; R858-E891 HydrophobicContact CB-CG 4.22Å; R858-I895 HydrophobicContact CG-CD1 4.22Å; R858-I895 WeakPolarHBondContact O-CD1 3.41Å
859L93.3Very high90.4Very high88 Ų8860.9 Ų60.946%0.46134%0.338SS..Hα-helixtrans-62.4-41.2178.9-68.4173.5000111.9E855 E856 E862 S863E855-L859 HydrophobicContact CG-CD1 4.31Å; E855-L859 WeakPolarHBondContact O-CG 3.45Å; E855-L859 PolarHBondContact O-N 3.02Å; E856-L859 PolarHBondContact O-N 3.26Å; L859-E862 PolarHBondContact O-N 2.87Å; L859-S863 WeakPolarHBondContact O-CB 3.46Å; L859-S863 PolarHBondContact O-N 3.45Å; L859-S863 PolarHBondContact O-OG 2.75Å
860L93.3Very high90.7Very high26 Ų2662.5 Ų62.514%0.13635%0.347CS..Hα-helixtrans-60.1-48.8174.8-177.769.4000111E856 R858 E862 S863 L864 I872 H874 F876 I892E856-L860 VanDerWaalsContact O-CB 3.22Å; E856-L860 WeakPolarHBondContact O-CB 3.32Å; E856-L860 PolarHBondContact O-N 3.07Å; R858-L860 VanDerWaalsContact C-N 3.34Å; R858-L860 PolarHBondContact O-N 2.85Å; L860-E862 PolarHBondContact O-N 2.85Å; L860-S863 PolarHBondContact O-N 2.9Å; L860-S863 PolarHBondContact O-OG 2.72Å; L860-L864 HydrophobicContact CD1-CD1 3.61Å; L860-L864 HydrophobicContact CD1-CG 4.28Å; L860-L864 HydrophobicContact CG-CD1 4.02Å; L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 PolarHBondContact O-N 2.78Å; L860-I872 HydrophobicContact CD2-CG2 3.93Å; L860-I872 HydrophobicContact CG-CG2 4.45Å; L860-H874 HydrophobicContact CD2-CB 3.61Å; L860-H874 VanDerWaalsContact CD2-CG 3.45Å; L860-F876 HydrophobicContact CD2-CZ 4.39Å; L860-I892 HydrophobicContact CD2-CD1 3.98Å
861G91.7Very high90.9Very high0 Ų062.2 Ų62.20%034%0.341CS..Hα-helixtrans-58-46.5176.800000112.6A857 R858 L864 A865 I895 C896A857-G861 PolarHBondContact O-N 2.94Å; R858-G861 PolarHBondContact O-N 3.29Å; G861-L864 PolarHBondContact O-N 3.46Å; G861-A865 PolarHBondContact O-N 2.66Å; G861-I895 VanDerWaalsContact C-CG2 3.46Å; G861-I895 WeakPolarHBondContact O-CG2 3.43Å; G861-C896 PolarHBondContact O-SG 3.25Å; G861-C896 VanDerWaalsContact O-SG 3.37Å
862E91.9Very high91.2Very high96 Ų9659 Ų5945%0.44932%0.319SS..Hα-helixtrans-62.2-43.3178.1-73.2171.2-171.400111.9R858 L859 L860 L864 I895R858-E862 IonicContact CZ-OE1 3.8Å; R858-E862 IonicContact NH1-OE1 2.79Å; R858-E862 PolarHBondContact NH1-OE1 2.97Å; R858-E862 IonicContact NH1-OE2 3.55Å; R858-E862 WeakPolarHBondContact O-CG 3.46Å; R858-E862 PolarHBondContact O-N 3.11Å; L859-E862 PolarHBondContact O-N 2.87Å; L860-E862 PolarHBondContact O-N 2.85Å; E862-L864 PolarHBondContact O-N 3.29Å; E862-I895 HydrophobicContact CG-CD1 4.4Å
863S91.4Very high91.4Very high83 Ų8355.3 Ų55.358%0.5830%0.304SS*.Hα-helixtrans-68.1-33.7-179.873.30000113.5L859 L860L859-S863 WeakPolarHBondContact O-CB 3.46Å; L859-S863 PolarHBondContact O-N 3.45Å; L859-S863 PolarHBondContact O-OG 2.75Å; L860-S863 PolarHBondContact O-N 2.9Å; L860-S863 PolarHBondContact O-OG 2.72Å
864L91.2Very high91.6Very high49 Ų4957.4 Ų57.426%0.25731%0.314SS..Hα-helixtrans-98.2-3.8-175-65.8179.4000113.8L860 G861 E862 N866 S867 I872 K899L860-L864 HydrophobicContact CD1-CD1 3.61Å; L860-L864 HydrophobicContact CD1-CG 4.28Å; L860-L864 HydrophobicContact CG-CD1 4.02Å; L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 PolarHBondContact O-N 2.78Å; G861-L864 PolarHBondContact O-N 3.46Å; E862-L864 PolarHBondContact O-N 3.29Å; L864-N866 VanDerWaalsContact C-N 3.26Å; L864-N866 PolarHBondContact O-N 2.85Å; L864-S867 WeakPolarHBondContact O-CB 3.46Å; L864-S867 PolarHBondContact O-N 2.77Å; L864-I872 HydrophobicContact CB-CD1 4.22Å; L864-I872 HydrophobicContact CD1-CB 4.47Å; L864-I872 HydrophobicContact CD1-CD1 4Å; L864-I872 HydrophobicContact CD1-CG1 3.91Å; L864-I872 HydrophobicContact CD1-CG2 3.87Å; L864-K899 VanDerWaalsContact O-CE 3.31Å; L864-K899 WeakPolarHBondContact O-CE 3.42Å; L864-K899 PolarHBondContact O-NZ 3.48Å
865A85.8Confident91.7Very high41 Ų4157 Ų5734%0.33931%0.313SS..THydrogen-bonded Turntrans-52.6-43.1-179.700000112.6G861 I895G861-A865 PolarHBondContact O-N 2.66Å; A865-I895 HydrophobicContact CB-CG2 4.39Å
866N84.5Confident91.8Very high160 Ų16053.1 Ų53.186%0.85630%0.295SS*.THydrogen-bonded Turntrans-95.92.4-178.7-63.8-36.1000114.1L864L864-N866 VanDerWaalsContact C-N 3.26Å; L864-N866 PolarHBondContact O-N 2.85Å
867S87.2Confident91.7Very high40 Ų4054 Ų5428%0.2830%0.302SS..  trans-67.7140.5178.3168.90000110.7L864 S869 K899L864-S867 WeakPolarHBondContact O-CB 3.46Å; L864-S867 PolarHBondContact O-N 2.77Å; S867-S869 PolarHBondContact O-N 3.49Å; S867-S869 PolarHBondContact OG-N 3.1Å; S867-K899 PolarHBondContact O-NZ 3.44Å
868P86.3Confident91.4Very high131 Ų13154 Ų5485%0.85130%0.302SS*.SBendtrans-67.6-12.917628.1-34.9000113.5
869S88.9Confident91.1Very high38 Ų3854.4 Ų54.427%0.26631%0.307SS..  trans-66.9135.9176.8-177.50000111.7S867 Y871 K899S867-S869 PolarHBondContact O-N 3.49Å; S867-S869 PolarHBondContact OG-N 3.1Å; S869-Y871 VanDerWaalsContact C-N 3.33Å; S869-Y871 PolarHBondContact OG-N 2.95Å; S869-Y871 PolarHBondContact OG-O 3.41Å; S869-K899 WeakPolarHBondContact O-CE 3.43Å; S869-K899 PolarHBondContact O-NZ 2.93Å
870N92.2Very high90.8Very high56 Ų5650.9 Ų50.930%0.29929%0.29SS..SBendtrans-85.8-2176.4-69.3-60.8000113.2K899 A900 L923 R926 L977N870-K899 CarbonylContact O-C 3.47Å; N870-K899 VanDerWaalsContact O-CA 3.28Å; N870-K899 WeakPolarHBondContact O-CA 3.43Å; N870-A900 PolarHBondContact O-N 3.33Å; N870-L923 HydrophobicContact CB-CD1 4.28Å; N870-L923 HydrophobicContact CB-CD2 4.05Å; N870-L923 WeakPolarHBondContact O-CD1 3.36Å; N870-R926 PolarHBondContact ND2-NH1 2.92Å; N870-R926 VanDerWaalsContact ND2-NH1 3.14Å; N870-R926 PolarHBondContact OD1-NH1 3.29Å; N870-L977 HydrophobicContact CB-CD1 3.84Å
871Y93.9Very high90.6Very high34 Ų3452.1 Ų52.113%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-143.2159.6-178.363.1-88000112.6S869 I873 A900 D970 A973 L977S869-Y871 VanDerWaalsContact C-N 3.33Å; S869-Y871 PolarHBondContact OG-N 2.95Å; S869-Y871 PolarHBondContact OG-O 3.41Å; Y871-I873 HydrophobicContact CD2-CD1 4.16Å; Y871-I873 HydrophobicContact CD2-CG1 4.26Å; Y871-I873 HydrophobicContact CE2-CD1 4.09Å; Y871-A900 CarbonylContact C-O 3.41Å; Y871-A900 WeakPolarHBondContact CA-O 3.42Å; Y871-D970 WeakPolarHBondContact CE2-OD1 3.36Å; Y871-D970 PolarHBondContact OH-OD1 3.27Å; Y871-A973 HydrophobicContact CD1-CB 3.89Å; Y871-A973 HydrophobicContact CD2-CB 3.89Å; Y871-A973 HydrophobicContact CE1-CB 4.01Å; Y871-A973 HydrophobicContact CE2-CB 4.01Å; Y871-A973 HydrophobicContact CG-CB 3.83Å; Y871-L977 HydrophobicContact CD1-CD1 3.79Å; Y871-L977 HydrophobicContact CE1-CD1 4.4Å
872I94.5Very high90.6Very high5 Ų554.8 Ų54.83%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-131.4126.7179.7-55.9176.2000107.6L860 L864 I892 C896 K899 A900 V901 M902L860-I872 HydrophobicContact CD2-CG2 3.93Å; L860-I872 HydrophobicContact CG-CG2 4.45Å; L864-I872 HydrophobicContact CB-CD1 4.22Å; L864-I872 HydrophobicContact CD1-CB 4.47Å; L864-I872 HydrophobicContact CD1-CD1 4Å; L864-I872 HydrophobicContact CD1-CG1 3.91Å; L864-I872 HydrophobicContact CD1-CG2 3.87Å; I872-I892 HydrophobicContact CD1-CG2 3.7Å; I872-C896 HydrophobicContact CD1-CB 4.46Å; I872-K899 HydrophobicContact CD1-CB 4.49Å; I872-K899 HydrophobicContact CD1-CD 4.13Å; I872-K899 HydrophobicContact CG1-CD 4.29Å; I872-A900 PolarHBondContact N-O 3.15Å; I872-V901 CarbonylContact O-C 3.52Å; I872-V901 WeakPolarHBondContact O-CA 3.44Å; I872-M902 PolarHBondContact O-N 3.37Å
873I95.1Very high90.6Very high36 Ų3658.1 Ų58.119%0.18533%0.326CS..EExtended strand (participates in β ladder)trans-119.2122.1169.4-60.3161000106.5Y871 M902 I904 W933 I966 A969 D970Y871-I873 HydrophobicContact CD2-CD1 4.16Å; Y871-I873 HydrophobicContact CD2-CG1 4.26Å; Y871-I873 HydrophobicContact CE2-CD1 4.09Å; I873-M902 WeakPolarHBondContact CA-O 3.38Å; I873-M902 HydrophobicContact CG1-CB 4.3Å; I873-I904 HydrophobicContact CG2-CD1 4.16Å; I873-W933 HydrophobicContact CD1-CZ2 4.02Å; I873-W933 HydrophobicContact CG1-CH2 4.21Å; I873-W933 HydrophobicContact CG1-CZ2 3.77Å; I873-I966 HydrophobicContact CG2-CG2 4.26Å; I873-A969 HydrophobicContact CD1-CB 3.7Å; I873-A969 HydrophobicContact CG1-CB 4.35Å; I873-D970 HydrophobicContact CD1-CB 3.93Å; I873-D970 VanDerWaalsContact CD1-N 3.34Å
874H95.8Very high90.6Very high45 Ų4554.5 Ų54.521%0.20830%0.3CS..EExtended strand (participates in β ladder)trans-141.1145-176.8-164.868.2000112.8E856 L860 F876 M902 V903 I904E856-H874 IonicContact OE1-CD2 3.85Å; E856-H874 IonicContact OE1-CE1 3.79Å; E856-H874 IonicContact OE1-NE2 2.99Å; E856-H874 PolarHBondContact OE1-NE2 2.75Å; L860-H874 HydrophobicContact CD2-CB 3.61Å; L860-H874 VanDerWaalsContact CD2-CG 3.45Å; H874-F876 AromaticContact CD2-CD1 3.7Å; H874-F876 AromaticContact CD2-CE1 3.49Å; H874-F876 VanDerWaalsContact CD2-CE1 3.49Å; H874-F876 WeakPolarHBondContact CD2-CE1 3.3Å; H874-F876 AromaticContact CD2-CE2 3.86Å; H874-F876 AromaticContact CD2-CG 3.99Å; H874-F876 AromaticContact CD2-CZ 3.57Å; H874-F876 AromaticContact NE2-CE1 3.92Å; H874-M902 PolarHBondContact N-O 3.47Å; H874-V903 CarbonylContact O-C 3.58Å; H874-V903 VanDerWaalsContact O-CA 3.31Å; H874-V903 WeakPolarHBondContact O-CA 3.26Å; H874-I904 PolarHBondContact O-N 2.77Å
875V95.8Very high90.7Very high48 Ų4852.2 Ų52.229%0.29129%0.288SS..EExtended strand (participates in β ladder)trans-102.5115176.4-173.70000108.7I904 L962 I966V875-I904 CarbonylContact C-O 3.59Å; V875-I904 VanDerWaalsContact CA-O 3.31Å; V875-I904 WeakPolarHBondContact CA-O 3.29Å; V875-I904 HydrophobicContact CG2-CB 4.33Å; V875-L962 HydrophobicContact CG1-CD1 4.37Å; V875-L962 HydrophobicContact CG1-CD2 4.35Å; V875-L962 HydrophobicContact CG2-CD1 4.04Å; V875-I966 HydrophobicContact CG2-CD1 3.55Å; V875-I966 HydrophobicContact CG2-CG1 4.21Å
876F94.6Very high91.1Very high2 Ų253.1 Ų53.11%0.00929%0.287CS..  trans-96.7139.9173-72.4-67000111.2V853 E856 A857 L860 H874 A878 A888 I892 V903 I904 S905V853-F876 HydrophobicContact CB-CD1 4.46Å; V853-F876 HydrophobicContact CG1-CB 4.05Å; V853-F876 HydrophobicContact CG1-CD1 3.7Å; V853-F876 HydrophobicContact CG1-CD2 4.43Å; V853-F876 HydrophobicContact CG1-CE1 4.22Å; V853-F876 HydrophobicContact CG1-CG 3.81Å; V853-F876 HydrophobicContact CG2-CB 4.36Å; E856-F876 HydrophobicContact CB-CD1 4.37Å; E856-F876 HydrophobicContact CB-CE1 3.96Å; E856-F876 HydrophobicContact CG-CD1 4.18Å; E856-F876 HydrophobicContact CG-CE1 3.82Å; A857-F876 HydrophobicContact CB-CE1 4.03Å; A857-F876 HydrophobicContact CB-CZ 3.67Å; L860-F876 HydrophobicContact CD2-CZ 4.39Å; H874-F876 AromaticContact CD2-CD1 3.7Å; H874-F876 AromaticContact CD2-CE1 3.49Å; H874-F876 VanDerWaalsContact CD2-CE1 3.49Å; H874-F876 WeakPolarHBondContact CD2-CE1 3.3Å; H874-F876 AromaticContact CD2-CE2 3.86Å; H874-F876 AromaticContact CD2-CG 3.99Å; H874-F876 AromaticContact CD2-CZ 3.57Å; H874-F876 AromaticContact NE2-CE1 3.92Å; F876-A878 HydrophobicContact CB-CB 4.13Å; F876-A878 PolarHBondContact O-N 2.97Å; F876-A888 HydrophobicContact CD2-CB 4.03Å; F876-A888 HydrophobicContact CE2-CB 3.65Å; F876-A888 HydrophobicContact CZ-CB 3.95Å; F876-I892 HydrophobicContact CE2-CD1 4.19Å; F876-I892 HydrophobicContact CZ-CD1 4.06Å; F876-V903 HydrophobicContact CD2-CB 3.9Å; F876-V903 HydrophobicContact CD2-CG1 3.87Å; F876-V903 HydrophobicContact CE2-CB 4.11Å; F876-V903 HydrophobicContact CE2-CG1 3.53Å; F876-I904 PolarHBondContact N-O 2.85Å; F876-S905 WeakPolarHBondContact O-CA 3.5Å; F876-S905 VanDerWaalsContact O-CB 3.26Å; F876-S905 WeakPolarHBondContact O-CB 3.46Å; F876-S905 PolarHBondContact O-OG 2.78Å
877D90.2Very high91.5Very high79 Ų7947.9 Ų47.942%0.42226%0.263SS..  trans-75.358.9165.2-17723.2000110.6I849 K852I849-D877 WeakPolarHBondContact CG2-O 3.28Å; K852-D877 IonicContact NZ-OD2 3.03Å; K852-D877 PolarHBondContact NZ-OD2 2.88Å
878A88.9Confident91.9Very high0 Ų046 Ų460%025%0.25CC..SBendtrans-99.16.8-179.700000113.1V853 F876 S880 N881 I884 M885 S905V853-A878 HydrophobicContact CG2-CB 4.07Å; F876-A878 HydrophobicContact CB-CB 4.13Å; F876-A878 PolarHBondContact O-N 2.97Å; A878-S880 VanDerWaalsContact C-N 3.26Å; A878-S880 PolarHBondContact O-N 3.28Å; A878-N881 WeakPolarHBondContact O-CB 3.46Å; A878-N881 PolarHBondContact O-N 2.76Å; A878-I884 HydrophobicContact CB-CB 4.25Å; A878-I884 HydrophobicContact CB-CG2 3.93Å; A878-M885 HydrophobicContact CB-CG 3.72Å; A878-S905 WeakPolarHBondContact CA-OG 3.39Å; A878-S905 PolarHBondContact N-OG 3.13Å; A878-S905 VanDerWaalsContact N-OG 3.15Å
879Q87.3Confident92.3Very high85 Ų8540 Ų4040%0.39721%0.211SC..THydrogen-bonded Turntrans47.845.9-178.4-59.6-178.2-1600113I849 N881 S905 S906I849-Q879 HydrophobicContact CD1-CG 4.29Å; Q879-N881 PolarHBondContact O-N 3.36Å; Q879-S905 PolarHBondContact N-OG 3.48Å; Q879-S905 VanDerWaalsContact N-OG 3.13Å; Q879-S906 WeakPolarHBondContact CA-O 3.27Å
880S87.3Confident92.5Very high15 Ų1545 Ų4511%0.10523%0.228CC..THydrogen-bonded Turntrans56.216.7-177.4-63.40000115.3A878 T882 S905 D907 K912 T914A878-S880 VanDerWaalsContact C-N 3.26Å; A878-S880 PolarHBondContact O-N 3.28Å; S880-T882 PolarHBondContact O-N 3.27Å; S880-T882 VanDerWaalsContact O-N 3.16Å; S880-S905 PolarHBondContact N-OG 3.04Å; S880-S905 PolarHBondContact OG-O 2.9Å; S880-D907 WeakPolarHBondContact OG-CB 3.25Å; S880-D907 PolarHBondContact OG-N 2.88Å; S880-D907 VanDerWaalsContact OG-N 3.12Å; S880-K912 PolarHBondContact OG-O 3.18Å; S880-K912 VanDerWaalsContact OG-O 3.08Å; S880-T914 WeakPolarHBondContact CB-OG1 3.26Å
881N88.4Confident92.6Very high51 Ų5144.4 Ų44.427%0.27322%0.223SC..  trans-77.2101.7178.6-172.8-35.6000110.9A878 Q879 K883 I884 M885A878-N881 WeakPolarHBondContact O-CB 3.46Å; A878-N881 PolarHBondContact O-N 2.76Å; Q879-N881 PolarHBondContact O-N 3.36Å; N881-K883 PolarHBondContact O-N 2.93Å; N881-K883 VanDerWaalsContact O-N 3.13Å; N881-K883 WeakPolarHBondContact OD1-CB 3.46Å; N881-K883 PolarHBondContact OD1-N 3.18Å; N881-I884 HydrophobicContact CB-CB 4.23Å; N881-I884 HydrophobicContact CB-CD1 3.89Å; N881-I884 HydrophobicContact CB-CG1 4.01Å; N881-I884 PolarHBondContact O-N 2.89Å; N881-I884 VanDerWaalsContact O-N 3.08Å; N881-I884 PolarHBondContact OD1-N 3.03Å; N881-M885 WeakPolarHBondContact O-CG 3.4Å; N881-M885 PolarHBondContact O-N 2.75Å
882T91.1Very high92.7Very high56 Ų5642.8 Ų42.834%0.34422%0.217SC..Hα-helixtrans-58.4-28.5-177.155.10000114S880 N886 T914 L916S880-T882 PolarHBondContact O-N 3.27Å; S880-T882 VanDerWaalsContact O-N 3.16Å; T882-N886 WeakPolarHBondContact O-CB 3.44Å; T882-N886 PolarHBondContact O-N 2.88Å; T882-N886 PolarHBondContact O-ND2 3.4Å; T882-T914 HydrophobicContact CG2-CG2 3.85Å; T882-L916 HydrophobicContact CG2-CD1 4.34Å
883K91.3Very high92.5Very high167 Ų16745.3 Ų45.373%0.72623%0.228SC*.Hα-helixtrans-70.2-44.2176.6-68.5-175.9179.4178.80111.2N881 N886 S887N881-K883 PolarHBondContact O-N 2.93Å; N881-K883 VanDerWaalsContact O-N 3.13Å; N881-K883 WeakPolarHBondContact OD1-CB 3.46Å; N881-K883 PolarHBondContact OD1-N 3.18Å; K883-N886 PolarHBondContact O-N 3.22Å; K883-S887 PolarHBondContact O-N 3.41Å; K883-S887 VanDerWaalsContact O-N 3.11Å; K883-S887 PolarHBondContact O-OG 2.83Å; K883-S887 VanDerWaalsContact O-OG 3.09Å
884I92.2Very high92.4Very high7 Ų751.2 Ų51.24%0.03625%0.248CC..Hα-helixtrans-63.8-46.8177.7-60.2179.7000109.7I849 T850 V853 A878 N881 N886 S887 A888I849-I884 HydrophobicContact CB-CD1 4.38Å; I849-I884 HydrophobicContact CG2-CD1 3.85Å; T850-I884 HydrophobicContact CG2-CG1 4.4Å; T850-I884 VanDerWaalsContact OG1-CD1 3.29Å; T850-I884 WeakPolarHBondContact OG1-CD1 3.21Å; T850-I884 WeakPolarHBondContact OG1-CG1 3.43Å; V853-I884 HydrophobicContact CB-CG2 3.69Å; V853-I884 HydrophobicContact CG1-CG2 3.61Å; V853-I884 HydrophobicContact CG2-CG2 4.03Å; A878-I884 HydrophobicContact CB-CB 4.25Å; A878-I884 HydrophobicContact CB-CG2 3.93Å; N881-I884 HydrophobicContact CB-CB 4.23Å; N881-I884 HydrophobicContact CB-CD1 3.89Å; N881-I884 HydrophobicContact CB-CG1 4.01Å; N881-I884 PolarHBondContact O-N 2.89Å; N881-I884 VanDerWaalsContact O-N 3.08Å; N881-I884 PolarHBondContact OD1-N 3.03Å; I884-N886 PolarHBondContact O-N 3.43Å; I884-S887 WeakPolarHBondContact O-CB 3.3Å; I884-S887 PolarHBondContact O-N 3.05Å; I884-S887 VanDerWaalsContact O-N 3.15Å; I884-A888 PolarHBondContact O-N 2.77Å
885M94Very high92.3Very high0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-61.7-40.9178.8-64.5173.674.900112.8A878 N881 S887 A888 I889 V903 S905 T914 L916A878-M885 HydrophobicContact CB-CG 3.72Å; N881-M885 WeakPolarHBondContact O-CG 3.4Å; N881-M885 PolarHBondContact O-N 2.75Å; M885-S887 VanDerWaalsContact C-N 3.34Å; M885-S887 PolarHBondContact O-N 3.49Å; M885-A888 WeakPolarHBondContact O-CB 3.45Å; M885-A888 PolarHBondContact O-N 3.47Å; M885-I889 WeakPolarHBondContact O-CG1 3.43Å; M885-I889 PolarHBondContact O-N 2.89Å; M885-V903 HydrophobicContact CB-CG2 4.1Å; M885-V903 HydrophobicContact CE-CB 4.48Å; M885-V903 HydrophobicContact CE-CG2 3.89Å; M885-V903 WeakPolarHBondContact CE-O 3.42Å; M885-S905 WeakPolarHBondContact SD-CB 3.11Å; M885-T914 HydrophobicContact CE-CG2 4.1Å; M885-T914 WeakPolarHBondContact CE-O 3.22Å; M885-T914 HydrophobicContact SD-CG2 3.78Å; M885-L916 HydrophobicContact CB-CD1 3.35Å; M885-L916 HydrophobicContact CE-CD1 3.95Å; M885-L916 HydrophobicContact CG-CD1 4.23Å; M885-L916 HydrophobicContact SD-CD1 3.91Å
886N93.9Very high92.1Very high60 Ų6049 Ų4932%0.32124%0.236SC..Hα-helixtrans-64.4-37.5174.2-86.1-57.4000112.5T882 K883 I884 A888 I889 K890T882-N886 WeakPolarHBondContact O-CB 3.44Å; T882-N886 PolarHBondContact O-N 2.88Å; T882-N886 PolarHBondContact O-ND2 3.4Å; K883-N886 PolarHBondContact O-N 3.22Å; I884-N886 PolarHBondContact O-N 3.43Å; N886-A888 VanDerWaalsContact C-N 3.35Å; N886-I889 PolarHBondContact O-N 3.28Å; N886-K890 WeakPolarHBondContact O-CG 3.46Å; N886-K890 PolarHBondContact O-N 3.07Å; N886-K890 VanDerWaalsContact O-N 3.08Å
887S93.4Very high91.9Very high51 Ų5152.8 Ų52.836%0.35726%0.261SS..Hα-helixtrans-66.2-39.1174.8-58.70000111.5K883 I884 M885 K890 E891K883-S887 PolarHBondContact O-N 3.41Å; K883-S887 VanDerWaalsContact O-N 3.11Å; K883-S887 PolarHBondContact O-OG 2.83Å; K883-S887 VanDerWaalsContact O-OG 3.09Å; I884-S887 WeakPolarHBondContact O-CB 3.3Å; I884-S887 PolarHBondContact O-N 3.05Å; I884-S887 VanDerWaalsContact O-N 3.15Å; M885-S887 VanDerWaalsContact C-N 3.34Å; M885-S887 PolarHBondContact O-N 3.49Å; S887-K890 PolarHBondContact O-N 3.33Å; S887-E891 PolarHBondContact O-N 2.68Å
888A94.6Very high91.9Very high0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-61.3-45.1173.400000112.3V853 A857 F876 I884 M885 N886 K890 E891 I892V853-A888 HydrophobicContact CG1-CB 3.83Å; A857-A888 HydrophobicContact CB-CB 3.86Å; F876-A888 HydrophobicContact CD2-CB 4.03Å; F876-A888 HydrophobicContact CE2-CB 3.65Å; F876-A888 HydrophobicContact CZ-CB 3.95Å; I884-A888 PolarHBondContact O-N 2.77Å; M885-A888 WeakPolarHBondContact O-CB 3.45Å; M885-A888 PolarHBondContact O-N 3.47Å; N886-A888 VanDerWaalsContact C-N 3.35Å; A888-K890 PolarHBondContact O-N 3.29Å; A888-E891 PolarHBondContact O-N 3.42Å; A888-I892 WeakPolarHBondContact O-CG1 3.27Å; A888-I892 PolarHBondContact O-N 3.17Å
889I94.8Very high92.1Very high5 Ų555.3 Ų55.33%0.02627%0.274CS..Hα-helixtrans-57-48.9174.7-72.6163.1000110.8M885 N886 E891 I892 E893 V901 V903 L916 Q918M885-I889 WeakPolarHBondContact O-CG1 3.43Å; M885-I889 PolarHBondContact O-N 2.89Å; N886-I889 PolarHBondContact O-N 3.28Å; I889-E891 VanDerWaalsContact C-N 3.28Å; I889-E891 PolarHBondContact O-N 3.33Å; I889-I892 PolarHBondContact O-N 2.93Å; I889-E893 HydrophobicContact CG2-CG 4.09Å; I889-E893 WeakPolarHBondContact CG2-OE1 3.39Å; I889-E893 WeakPolarHBondContact O-CB 3.32Å; I889-E893 WeakPolarHBondContact O-CG 3.35Å; I889-E893 PolarHBondContact O-N 2.95Å; I889-V901 HydrophobicContact CG1-CG1 4.29Å; I889-V903 HydrophobicContact CD1-CG2 3.49Å; I889-V903 VanDerWaalsContact CD1-CG2 3.49Å; I889-V903 HydrophobicContact CG1-CB 4.38Å; I889-V903 HydrophobicContact CG1-CG1 3.8Å; I889-V903 HydrophobicContact CG1-CG2 3.59Å; I889-L916 HydrophobicContact CD1-CB 3.55Å; I889-Q918 HydrophobicContact CG2-CB 3.96Å
890K93.7Very high92.5Very high143 Ų14351.3 Ų51.362%0.62226%0.255SS*.Hα-helixtrans-60.9-37.4179.7-74.3179.1179.1-1780112.7N886 S887 A888 E893 R894N886-K890 WeakPolarHBondContact O-CG 3.46Å; N886-K890 PolarHBondContact O-N 3.07Å; N886-K890 VanDerWaalsContact O-N 3.08Å; S887-K890 PolarHBondContact O-N 3.33Å; A888-K890 PolarHBondContact O-N 3.29Å; K890-E893 PolarHBondContact O-N 3.36Å; K890-R894 WeakPolarHBondContact O-CB 3.5Å; K890-R894 PolarHBondContact O-N 2.93Å
891E94.5Very high92.9Very high43 Ų4350.6 Ų50.620%0.20125%0.25CC..Hα-helixtrans-66.5-42.2177.1-168.558.5-15700111.3L854 A857 R858 S887 A888 I889 R894 I895L854-E891 HydrophobicContact CD2-CB 4.39Å; A857-E891 HydrophobicContact CB-CB 4.26Å; A857-E891 HydrophobicContact CB-CG 4.48Å; R858-E891 HydrophobicContact CB-CG 4.22Å; S887-E891 PolarHBondContact O-N 2.68Å; A888-E891 PolarHBondContact O-N 3.42Å; I889-E891 VanDerWaalsContact C-N 3.28Å; I889-E891 PolarHBondContact O-N 3.33Å; E891-R894 WeakPolarHBondContact O-CB 3.4Å; E891-R894 PolarHBondContact O-N 3.1Å; E891-R894 IonicContact OE1-CZ 3.96Å; E891-R894 IonicContact OE1-NE 3.65Å; E891-R894 PolarHBondContact OE1-NE 2.92Å; E891-R894 IonicContact OE1-NH2 3.56Å; E891-R894 PolarHBondContact OE1-NH2 3.41Å; E891-R894 IonicContact OE2-NE 3.68Å; E891-R894 PolarHBondContact OE2-NE 3.32Å; E891-I895 PolarHBondContact O-N 2.96Å
892I94.2Very high93.3Very high0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-65.5-45.6174-63.5165000110.9A857 L860 I872 F876 A888 I889 R894 I895 C896 V901A857-I892 HydrophobicContact CB-CD1 4.4Å; A857-I892 HydrophobicContact CB-CG1 4.11Å; L860-I892 HydrophobicContact CD2-CD1 3.98Å; I872-I892 HydrophobicContact CD1-CG2 3.7Å; F876-I892 HydrophobicContact CE2-CD1 4.19Å; F876-I892 HydrophobicContact CZ-CD1 4.06Å; A888-I892 WeakPolarHBondContact O-CG1 3.27Å; A888-I892 PolarHBondContact O-N 3.17Å; I889-I892 PolarHBondContact O-N 2.93Å; I892-R894 VanDerWaalsContact C-N 3.25Å; I892-R894 PolarHBondContact O-N 3.34Å; I892-I895 PolarHBondContact O-N 3.49Å; I892-C896 HydrophobicContact CG2-CB 4.39Å; I892-C896 WeakPolarHBondContact O-CB 3.46Å; I892-C896 PolarHBondContact O-N 2.84Å; I892-V901 HydrophobicContact CB-CG1 4.48Å; I892-V901 HydrophobicContact CB-CG2 4.36Å; I892-V901 HydrophobicContact CD1-CG1 3.93Å; I892-V901 HydrophobicContact CG2-CG1 4.24Å; I892-V901 HydrophobicContact CG2-CG2 3.58Å
893E92.2Very high93.5Very high58 Ų5845.5 Ų45.527%0.27122%0.22SC..Hα-helixtrans-58.3-37.2178.1-77.5174.6-174.300112.5I889 K890 I895 C896 P897 Q918I889-E893 HydrophobicContact CG2-CG 4.09Å; I889-E893 WeakPolarHBondContact CG2-OE1 3.39Å; I889-E893 WeakPolarHBondContact O-CB 3.32Å; I889-E893 WeakPolarHBondContact O-CG 3.35Å; I889-E893 PolarHBondContact O-N 2.95Å; K890-E893 PolarHBondContact O-N 3.36Å; E893-I895 VanDerWaalsContact C-N 3.26Å; E893-I895 PolarHBondContact O-N 3.43Å; E893-C896 CarbonylContact O-C 3.5Å; E893-P897 VanDerWaalsContact O-CA 3.27Å; E893-P897 WeakPolarHBondContact O-CA 3.07Å; E893-Q918 WeakPolarHBondContact OE1-CB 3.49Å; E893-Q918 VanDerWaalsContact OE1-CD 3.3Å; E893-Q918 WeakPolarHBondContact OE1-CG 3.33Å
894R92.7Very high93.7Very high161 Ų16137.5 Ų37.561%0.60819%0.186SC*.Hα-helixtrans-60.8-36.2176.3-172.6-177.971.679.80.3111.9K890 E891 I892K890-R894 WeakPolarHBondContact O-CB 3.5Å; K890-R894 PolarHBondContact O-N 2.93Å; E891-R894 WeakPolarHBondContact O-CB 3.4Å; E891-R894 PolarHBondContact O-N 3.1Å; E891-R894 IonicContact OE1-CZ 3.96Å; E891-R894 IonicContact OE1-NE 3.65Å; E891-R894 PolarHBondContact OE1-NE 2.92Å; E891-R894 IonicContact OE1-NH2 3.56Å; E891-R894 PolarHBondContact OE1-NH2 3.41Å; E891-R894 IonicContact OE2-NE 3.68Å; E891-R894 PolarHBondContact OE2-NE 3.32Å; I892-R894 VanDerWaalsContact C-N 3.25Å; I892-R894 PolarHBondContact O-N 3.34Å
895I92.6Very high93.8Very high40 Ų4037.2 Ų37.221%0.20518%0.184CC..Hα-helixtrans-90.8-36-177.7-57.4164000111.2R858 G861 E862 A865 E891 I892 E893 P897R858-I895 HydrophobicContact CG-CD1 4.22Å; R858-I895 WeakPolarHBondContact O-CD1 3.41Å; G861-I895 VanDerWaalsContact C-CG2 3.46Å; G861-I895 WeakPolarHBondContact O-CG2 3.43Å; E862-I895 HydrophobicContact CG-CD1 4.4Å; A865-I895 HydrophobicContact CB-CG2 4.39Å; E891-I895 PolarHBondContact O-N 2.96Å; I892-I895 PolarHBondContact O-N 3.49Å; E893-I895 VanDerWaalsContact C-N 3.26Å; E893-I895 PolarHBondContact O-N 3.43Å; I895-P897 VanDerWaalsContact C-CD 3.49Å; I895-P897 WeakPolarHBondContact O-CD 3.42Å
896C91.4Very high93.7Very high5 Ų538.6 Ų38.63%0.03419%0.194CC..  trans-124.463.3-173.3-68.50000112.2G861 I872 I892 E893 N898 K899G861-C896 PolarHBondContact O-SG 3.25Å; G861-C896 VanDerWaalsContact O-SG 3.37Å; I872-C896 HydrophobicContact CD1-CB 4.46Å; I892-C896 HydrophobicContact CG2-CB 4.39Å; I892-C896 WeakPolarHBondContact O-CB 3.46Å; I892-C896 PolarHBondContact O-N 2.84Å; E893-C896 CarbonylContact O-C 3.5Å; C896-N898 PolarHBondContact O-N 3.03Å; C896-K899 HydrophobicContact CB-CB 4.22Å; C896-K899 HydrophobicContact CB-CD 4.05Å; C896-K899 HydrophobicContact CB-CG 4.16Å; C896-K899 PolarHBondContact O-N 2.86Å; C896-K899 VanDerWaalsContact O-N 3.17Å
897P90.2Very high93.4Very high82 Ų8236.8 Ų36.853%0.53218%0.184SC..THydrogen-bonded Turntrans-65.4-18.2-169.225.6-36.2000115E893 I895E893-P897 VanDerWaalsContact O-CA 3.27Å; E893-P897 WeakPolarHBondContact O-CA 3.07Å; I895-P897 VanDerWaalsContact C-CD 3.49Å; I895-P897 WeakPolarHBondContact O-CD 3.42Å
898N90.2Very high92.7Very high110 Ų11040.7 Ų40.759%0.58820%0.2SC*.THydrogen-bonded Turntrans-102.15.9-177.1-64.7-36.8000113.6C896C896-N898 PolarHBondContact O-N 3.03Å
899K93.4Very high91.4Very high23 Ų2343.9 Ų43.910%0.122%0.22CC..SBendtrans-105.9143.3-179.6-59.1-170-179.8-137.70111.3L864 S867 S869 N870 I872 C896 P920L864-K899 VanDerWaalsContact O-CE 3.31Å; L864-K899 WeakPolarHBondContact O-CE 3.42Å; L864-K899 PolarHBondContact O-NZ 3.48Å; S867-K899 PolarHBondContact O-NZ 3.44Å; S869-K899 WeakPolarHBondContact O-CE 3.43Å; S869-K899 PolarHBondContact O-NZ 2.93Å; N870-K899 CarbonylContact O-C 3.47Å; N870-K899 VanDerWaalsContact O-CA 3.28Å; N870-K899 WeakPolarHBondContact O-CA 3.43Å; I872-K899 HydrophobicContact CD1-CB 4.49Å; I872-K899 HydrophobicContact CD1-CD 4.13Å; I872-K899 HydrophobicContact CG1-CD 4.29Å; C896-K899 HydrophobicContact CB-CB 4.22Å; C896-K899 HydrophobicContact CB-CD 4.05Å; C896-K899 HydrophobicContact CB-CG 4.16Å; C896-K899 PolarHBondContact O-N 2.86Å; C896-K899 VanDerWaalsContact O-N 3.17Å; K899-P920 WeakPolarHBondContact O-CD 3.48Å
900A95.3Very high90.6Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-75.5141.2167.900000109.6N870 Y871 I872 Q918 V919 L923 L928 W933N870-A900 PolarHBondContact O-N 3.33Å; Y871-A900 CarbonylContact C-O 3.41Å; Y871-A900 WeakPolarHBondContact CA-O 3.42Å; I872-A900 PolarHBondContact N-O 3.15Å; A900-Q918 WeakPolarHBondContact CA-O 3.22Å; A900-V919 HydrophobicContact CB-CB 4.45Å; A900-V919 HydrophobicContact CB-CG1 4.12Å; A900-V919 HydrophobicContact CB-CG2 4.11Å; A900-L923 HydrophobicContact CB-CD1 3.77Å; A900-L923 VanDerWaalsContact N-CD1 3.32Å; A900-L928 HydrophobicContact CB-CD2 3.66Å; A900-W933 HydrophobicContact CB-CH2 4.46Å; A900-W933 HydrophobicContact CB-CZ3 4.03Å
901V96.3Very high90.1Very high0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-126.8127-177.1-175.90000108.9I872 I889 I892 V903 C917 Q918I872-V901 CarbonylContact O-C 3.52Å; I872-V901 WeakPolarHBondContact O-CA 3.44Å; I889-V901 HydrophobicContact CG1-CG1 4.29Å; I892-V901 HydrophobicContact CB-CG1 4.48Å; I892-V901 HydrophobicContact CB-CG2 4.36Å; I892-V901 HydrophobicContact CD1-CG1 3.93Å; I892-V901 HydrophobicContact CG2-CG1 4.24Å; I892-V901 HydrophobicContact CG2-CG2 3.58Å; V901-V903 HydrophobicContact CG1-CG1 3.91Å; V901-C917 CarbonylContact O-C 3.58Å; V901-C917 WeakPolarHBondContact O-CA 3.41Å; V901-C917 WeakPolarHBondContact O-CB 3.48Å; V901-Q918 PolarHBondContact N-O 3.12Å; V901-Q918 PolarHBondContact O-N 2.97Å
902M96.4Very high89.9Confident0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-122127.3167.5177.2173.5-7800109.1I872 I873 H874 I904 V915 L916 C917 W933 V934 I937 A969I872-M902 PolarHBondContact O-N 3.37Å; I873-M902 WeakPolarHBondContact CA-O 3.38Å; I873-M902 HydrophobicContact CG1-CB 4.3Å; H874-M902 PolarHBondContact N-O 3.47Å; M902-I904 HydrophobicContact CG-CG1 4.47Å; M902-V915 HydrophobicContact CE-CG1 4.15Å; M902-V915 HydrophobicContact CG-CG1 3.66Å; M902-V915 HydrophobicContact SD-CG1 3.86Å; M902-L916 CarbonylContact C-O 3.54Å; M902-L916 WeakPolarHBondContact CA-O 3.49Å; M902-C917 HydrophobicContact CB-CB 4.04Å; M902-C917 HydrophobicContact CE-CB 3.95Å; M902-C917 HydrophobicContact CG-CB 4.27Å; M902-W933 HydrophobicContact CB-CE3 4.4Å; M902-W933 HydrophobicContact CB-CH2 3.46Å; M902-W933 VanDerWaalsContact CB-CH2 3.46Å; M902-W933 HydrophobicContact CB-CZ2 3.84Å; M902-W933 HydrophobicContact CB-CZ3 3.77Å; M902-W933 HydrophobicContact CE-CB 4.31Å; M902-W933 HydrophobicContact CE-CD2 3.35Å; M902-W933 HydrophobicContact CE-CE3 3.8Å; M902-W933 HydrophobicContact CE-CG 3.56Å; M902-W933 HydrophobicContact CE-CH2 4.5Å; M902-W933 HydrophobicContact CE-CZ2 4.13Å; M902-W933 HydrophobicContact CE-CZ3 4.34Å; M902-W933 HydrophobicContact SD-CD2 4.4Å; M902-W933 HydrophobicContact SD-CZ2 4.14Å; M902-V934 HydrophobicContact CE-CG2 4.14Å; M902-I937 HydrophobicContact CE-CD1 3.56Å; M902-I937 HydrophobicContact SD-CD1 3.57Å; M902-I937 VanDerWaalsContact SD-CD1 3.57Å; M902-A969 HydrophobicContact SD-CB 3.59Å; M902-A969 VanDerWaalsContact SD-CB 3.59Å
903V96.2Very high89.8Confident0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-119.6135.7179.3-58.50000110H874 F876 M885 I889 V901 V915 L916H874-V903 CarbonylContact O-C 3.58Å; H874-V903 VanDerWaalsContact O-CA 3.31Å; H874-V903 WeakPolarHBondContact O-CA 3.26Å; F876-V903 HydrophobicContact CD2-CB 3.9Å; F876-V903 HydrophobicContact CD2-CG1 3.87Å; F876-V903 HydrophobicContact CE2-CB 4.11Å; F876-V903 HydrophobicContact CE2-CG1 3.53Å; M885-V903 HydrophobicContact CB-CG2 4.1Å; M885-V903 HydrophobicContact CE-CB 4.48Å; M885-V903 HydrophobicContact CE-CG2 3.89Å; M885-V903 WeakPolarHBondContact CE-O 3.42Å; I889-V903 HydrophobicContact CD1-CG2 3.49Å; I889-V903 VanDerWaalsContact CD1-CG2 3.49Å; I889-V903 HydrophobicContact CG1-CB 4.38Å; I889-V903 HydrophobicContact CG1-CG1 3.8Å; I889-V903 HydrophobicContact CG1-CG2 3.59Å; V901-V903 HydrophobicContact CG1-CG1 3.91Å; V903-V915 WeakPolarHBondContact O-CA 3.44Å; V903-L916 HydrophobicContact CG2-CB 3.81Å; V903-L916 PolarHBondContact N-O 3Å; V903-L916 PolarHBondContact O-N 3.26Å
904I96Very high89.9Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-121.1141.6-177.3-54.7166.8000107.9I873 H874 V875 F876 M902 L913 T914 V915 L962 V965 I966I873-I904 HydrophobicContact CG2-CD1 4.16Å; H874-I904 PolarHBondContact O-N 2.77Å; V875-I904 CarbonylContact C-O 3.59Å; V875-I904 VanDerWaalsContact CA-O 3.31Å; V875-I904 WeakPolarHBondContact CA-O 3.29Å; V875-I904 HydrophobicContact CG2-CB 4.33Å; F876-I904 PolarHBondContact N-O 2.85Å; M902-I904 HydrophobicContact CG-CG1 4.47Å; I904-L913 HydrophobicContact CG2-CD1 3.61Å; I904-L913 HydrophobicContact CG2-CG 4.21Å; I904-T914 CarbonylContact C-O 3.56Å; I904-T914 WeakPolarHBondContact CA-O 3.37Å; I904-V915 HydrophobicContact CG1-CG1 4.13Å; I904-V915 HydrophobicContact CG1-CG2 4.1Å; I904-V915 HydrophobicContact CG2-CG2 4.26Å; I904-L962 HydrophobicContact CB-CD1 4.5Å; I904-L962 HydrophobicContact CG2-CD1 3.6Å; I904-V965 HydrophobicContact CD1-CG1 3.95Å; I904-I966 HydrophobicContact CD1-CG1 3.71Å
905S94.7Very high90.1Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-146.9127.6172.8-1710000111.1F876 A878 Q879 S880 M885 T914F876-S905 WeakPolarHBondContact O-CA 3.5Å; F876-S905 VanDerWaalsContact O-CB 3.26Å; F876-S905 WeakPolarHBondContact O-CB 3.46Å; F876-S905 PolarHBondContact O-OG 2.78Å; A878-S905 WeakPolarHBondContact CA-OG 3.39Å; A878-S905 PolarHBondContact N-OG 3.13Å; A878-S905 VanDerWaalsContact N-OG 3.15Å; Q879-S905 PolarHBondContact N-OG 3.48Å; Q879-S905 VanDerWaalsContact N-OG 3.13Å; S880-S905 PolarHBondContact N-OG 3.04Å; S880-S905 PolarHBondContact OG-O 2.9Å; M885-S905 WeakPolarHBondContact SD-CB 3.11Å; S905-T914 PolarHBondContact N-O 3.31Å; S905-T914 PolarHBondContact O-N 3.39Å
906S91.8Very high90.3Very high30 Ų3037.2 Ų37.221%0.2120%0.199CC..EExtended strand (participates in β ladder)trans-91.6146.3171.7550000110.9Q879 K912Q879-S906 WeakPolarHBondContact CA-O 3.27Å; S906-K912 CarbonylContact C-O 3.58Å; S906-K912 WeakPolarHBondContact CA-O 3.37Å
907D86.2Confident90.4Very high22 Ų2237 Ų3712%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-119.9103164.7177.815.5000108.3S880 T909 S910 K911 K912 I959S880-D907 WeakPolarHBondContact OG-CB 3.25Å; S880-D907 PolarHBondContact OG-N 2.88Å; S880-D907 VanDerWaalsContact OG-N 3.12Å; D907-T909 PolarHBondContact O-N 3.18Å; D907-T909 VanDerWaalsContact O-N 3.14Å; D907-T909 WeakPolarHBondContact OD1-CA 3.29Å; D907-T909 WeakPolarHBondContact OD1-CB 3.15Å; D907-T909 PolarHBondContact OD1-N 2.7Å; D907-T909 PolarHBondContact OD1-OG1 2.89Å; D907-S910 PolarHBondContact O-N 2.83Å; D907-S910 WeakPolarHBondContact OD2-CB 3.33Å; D907-S910 PolarHBondContact OD2-N 3.29Å; D907-S910 VanDerWaalsContact OD2-N 3.09Å; D907-S910 PolarHBondContact OD2-OG 3.37Å; D907-K911 WeakPolarHBondContact O-CA 3.42Å; D907-K911 PolarHBondContact O-N 3.04Å; D907-K912 PolarHBondContact N-O 2.72Å; D907-K912 PolarHBondContact O-N 3.12Å; D907-I959 WeakPolarHBondContact O-CD1 3.44Å
908L78.9Confident90.7Very high132 Ų13235.5 Ų35.569%0.69118%0.183SC*.THydrogen-bonded Turntrans-59.1-23.9176.7-62.6174.4000111.8I959L908-I959 HydrophobicContact CD2-CD1 4.36Å; L908-I959 HydrophobicContact CD2-CG2 4.32Å
909T68.1Low91Very high68 Ų6830.4 Ų30.442%0.41716%0.156SC..THydrogen-bonded Turntrans-70.3-60177.1-40.60000111.8I797 D907 K911I797-T909 HydrophobicContact CB-CG2 4.09Å; I797-T909 WeakPolarHBondContact CD1-OG1 3.22Å; I797-T909 HydrophobicContact CG2-CG2 3.17Å; I797-T909 WeakPolarHBondContact CG2-OG1 3.2Å; D907-T909 PolarHBondContact O-N 3.18Å; D907-T909 VanDerWaalsContact O-N 3.14Å; D907-T909 WeakPolarHBondContact OD1-CA 3.29Å; D907-T909 WeakPolarHBondContact OD1-CB 3.15Å; D907-T909 PolarHBondContact OD1-N 2.7Å; D907-T909 PolarHBondContact OD1-OG1 2.89Å; T909-K911 VanDerWaalsContact C-N 3.26Å; T909-K911 PolarHBondContact O-N 3.26Å
910S77.9Confident91Very high49 Ų4930.5 Ų30.534%0.34316%0.159SC..THydrogen-bonded Turntrans-86.6-0.2-174.465.50000113.2D907 K912D907-S910 PolarHBondContact O-N 2.83Å; D907-S910 WeakPolarHBondContact OD2-CB 3.33Å; D907-S910 PolarHBondContact OD2-N 3.29Å; D907-S910 VanDerWaalsContact OD2-N 3.09Å; D907-S910 PolarHBondContact OD2-OG 3.37Å; S910-K912 PolarHBondContact O-N 2.78Å; S910-K912 WeakPolarHBondContact OG-CD 3.25Å; S910-K912 WeakPolarHBondContact OG-CG 3.32Å
911K83.9Confident90.9Very high150 Ų15039.2 Ų39.265%0.65220%0.197SC*.THydrogen-bonded Turntrans53.441.2-173.5-61.1-174.4179.8-176.30111.7D907 T909 S957D907-K911 WeakPolarHBondContact O-CA 3.42Å; D907-K911 PolarHBondContact O-N 3.04Å; T909-K911 VanDerWaalsContact C-N 3.26Å; T909-K911 PolarHBondContact O-N 3.26Å; K911-S957 WeakPolarHBondContact O-CA 3.47Å
912K88.9Confident90.6Very high103 Ų10342.7 Ų42.745%0.44822%0.218SC..EExtended strand (participates in β ladder)trans-108.2140.3-180-69.4-179.3-173.8173.60110.3S880 S906 D907 S910 V955 G956S880-K912 PolarHBondContact OG-O 3.18Å; S880-K912 VanDerWaalsContact OG-O 3.08Å; S906-K912 CarbonylContact C-O 3.58Å; S906-K912 WeakPolarHBondContact CA-O 3.37Å; D907-K912 PolarHBondContact N-O 2.72Å; D907-K912 PolarHBondContact O-N 3.12Å; S910-K912 PolarHBondContact O-N 2.78Å; S910-K912 WeakPolarHBondContact OG-CD 3.25Å; S910-K912 WeakPolarHBondContact OG-CG 3.32Å; K912-V955 HydrophobicContact CB-CG1 4.46Å; K912-V955 HydrophobicContact CD-CG1 4.36Å; K912-V955 HydrophobicContact CG-CG1 4.44Å; K912-G956 WeakPolarHBondContact CA-O 3.04Å
913L93.2Very high90.5Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-114.4116.3164.6-172.166.8000107.3I904 M941 V955 G956 L962 V965I904-L913 HydrophobicContact CG2-CD1 3.61Å; I904-L913 HydrophobicContact CG2-CG 4.21Å; L913-M941 HydrophobicContact CD2-CB 3.91Å; L913-M941 WeakPolarHBondContact O-CE 2.88Å; L913-V955 CarbonylContact O-C 3.59Å; L913-V955 WeakPolarHBondContact O-CA 3.48Å; L913-G956 PolarHBondContact N-O 3.11Å; L913-G956 PolarHBondContact O-N 3.3Å; L913-L962 HydrophobicContact CD1-CD1 4Å; L913-V965 HydrophobicContact CD2-CG2 4.12Å
914T94.7Very high90.3Very high4 Ų444.2 Ų44.23%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-109138.3179.8-640000109.3S880 T882 M885 I904 S905 L916 A954 V955S880-T914 WeakPolarHBondContact CB-OG1 3.26Å; T882-T914 HydrophobicContact CG2-CG2 3.85Å; M885-T914 HydrophobicContact CE-CG2 4.1Å; M885-T914 WeakPolarHBondContact CE-O 3.22Å; M885-T914 HydrophobicContact SD-CG2 3.78Å; I904-T914 CarbonylContact C-O 3.56Å; I904-T914 WeakPolarHBondContact CA-O 3.37Å; S905-T914 PolarHBondContact N-O 3.31Å; S905-T914 PolarHBondContact O-N 3.39Å; T914-L916 HydrophobicContact CG2-CD1 4.45Å; T914-A954 WeakPolarHBondContact CA-O 3.5Å; T914-V955 HydrophobicContact CG2-CG2 4.28Å
915V95.7Very high90Very high0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-127.3135.3174.9-172.30000109.3M902 V903 I904 I937 M941 Q953 A954 V965M902-V915 HydrophobicContact CE-CG1 4.15Å; M902-V915 HydrophobicContact CG-CG1 3.66Å; M902-V915 HydrophobicContact SD-CG1 3.86Å; V903-V915 WeakPolarHBondContact O-CA 3.44Å; I904-V915 HydrophobicContact CG1-CG1 4.13Å; I904-V915 HydrophobicContact CG1-CG2 4.1Å; I904-V915 HydrophobicContact CG2-CG2 4.26Å; V915-I937 HydrophobicContact CB-CD1 4.35Å; V915-I937 HydrophobicContact CG1-CD1 3.77Å; V915-I937 HydrophobicContact CG2-CD1 4.23Å; V915-M941 HydrophobicContact CG2-CE 4.16Å; V915-M941 HydrophobicContact CG2-SD 3.84Å; V915-Q953 CarbonylContact O-C 3.57Å; V915-Q953 WeakPolarHBondContact O-CA 3.23Å; V915-Q953 WeakPolarHBondContact O-CB 3.41Å; V915-A954 PolarHBondContact N-O 3.5Å; V915-A954 PolarHBondContact O-N 3.18Å; V915-V965 HydrophobicContact CG2-CG1 4.47Å
916L96.3Very high89.8Confident4 Ų452.5 Ų52.52%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-128.5142.3170.8-76.7141.2000108.4T882 M885 I889 M902 V903 T914 Q953T882-L916 HydrophobicContact CG2-CD1 4.34Å; M885-L916 HydrophobicContact CB-CD1 3.35Å; M885-L916 HydrophobicContact CE-CD1 3.95Å; M885-L916 HydrophobicContact CG-CD1 4.23Å; M885-L916 HydrophobicContact SD-CD1 3.91Å; I889-L916 HydrophobicContact CD1-CB 3.55Å; M902-L916 CarbonylContact C-O 3.54Å; M902-L916 WeakPolarHBondContact CA-O 3.49Å; V903-L916 HydrophobicContact CG2-CB 3.81Å; V903-L916 PolarHBondContact N-O 3Å; V903-L916 PolarHBondContact O-N 3.26Å; T914-L916 HydrophobicContact CG2-CD1 4.45Å; L916-Q953 HydrophobicContact CD2-CB 3.76Å; L916-Q953 HydrophobicContact CG-CB 4.14Å
917C94.7Very high89.8Confident0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-140.2150.3173.673.70000112.8V901 M902 A930 W933 V934 S951 A952V901-C917 CarbonylContact O-C 3.58Å; V901-C917 WeakPolarHBondContact O-CA 3.41Å; V901-C917 WeakPolarHBondContact O-CB 3.48Å; M902-C917 HydrophobicContact CB-CB 4.04Å; M902-C917 HydrophobicContact CE-CB 3.95Å; M902-C917 HydrophobicContact CG-CB 4.27Å; C917-A930 VanDerWaalsContact SG-CB 3.52Å; C917-W933 HydrophobicContact CB-CE3 4.1Å; C917-W933 HydrophobicContact CB-CZ3 4.26Å; C917-V934 HydrophobicContact CB-CG2 4.3Å; C917-V934 WeakPolarHBondContact SG-CG2 3.45Å; C917-S951 WeakPolarHBondContact O-CA 3.46Å; C917-A952 PolarHBondContact N-O 3.45Å; C917-A952 PolarHBondContact O-N 3.31Å
918Q95.9Very high90.3Very high51 Ų5150.9 Ų50.924%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-128.4139.4168.1-164.698.8-25.300110.6I889 E893 A900 V901 N950 S951I889-Q918 HydrophobicContact CG2-CB 3.96Å; E893-Q918 WeakPolarHBondContact OE1-CB 3.49Å; E893-Q918 VanDerWaalsContact OE1-CD 3.3Å; E893-Q918 WeakPolarHBondContact OE1-CG 3.33Å; A900-Q918 WeakPolarHBondContact CA-O 3.22Å; V901-Q918 PolarHBondContact N-O 3.12Å; V901-Q918 PolarHBondContact O-N 2.97Å; Q918-N950 WeakPolarHBondContact CA-O 3.29Å; Q918-N950 VanDerWaalsContact CG-O 3.23Å; Q918-N950 WeakPolarHBondContact CG-O 3.45Å; Q918-N950 PolarHBondContact OE1-O 3.43Å; Q918-S951 PolarHBondContact OE1-OG 2.94Å
919V96Very high91.1Very high2 Ų247.2 Ų47.21%0.01224%0.244CC..  trans-126125.7174.9-1720000110.2A900 L923 I924 L928 A930 W933 N950A900-V919 HydrophobicContact CB-CB 4.45Å; A900-V919 HydrophobicContact CB-CG1 4.12Å; A900-V919 HydrophobicContact CB-CG2 4.11Å; V919-L923 HydrophobicContact CG1-CB 3.77Å; V919-I924 HydrophobicContact CB-CG1 4.21Å; V919-I924 HydrophobicContact CG1-CG1 3.87Å; V919-L928 HydrophobicContact CG1-CB 4.47Å; V919-L928 HydrophobicContact CG1-CD2 4.38Å; V919-L928 HydrophobicContact CG1-CG 4.21Å; V919-L928 WeakPolarHBondContact CG1-O 3.22Å; V919-L928 HydrophobicContact CG2-CG 4.38Å; V919-A930 HydrophobicContact CB-CB 4.47Å; V919-A930 HydrophobicContact CG2-CB 3.86Å; V919-W933 HydrophobicContact CG2-CE3 4.16Å; V919-W933 HydrophobicContact CG2-CZ3 4.4Å; V919-N950 PolarHBondContact N-O 3.29Å
920P94.1Very high92.4Very high26 Ų2644 Ų4417%0.16922%0.224CC..  trans-71.8152.5177.528.9-34.6000111.5K899 V922 L923 I924K899-P920 WeakPolarHBondContact O-CD 3.48Å; P920-V922 HydrophobicContact CB-CG1 4.31Å; P920-V922 HydrophobicContact CG-CG1 4.23Å; P920-V922 PolarHBondContact O-N 3.29Å; P920-L923 HydrophobicContact CG-CB 4.34Å; P920-L923 HydrophobicContact CG-CD1 3.87Å; P920-L923 HydrophobicContact CG-CG 3.98Å; P920-L923 PolarHBondContact O-N 2.85Å; P920-I924 PolarHBondContact O-N 3.16Å; P920-I924 VanDerWaalsContact O-N 3.17Å
921K92.3Very high93.3Very high183 Ų18343.8 Ų43.880%0.79622%0.219SC*.Hα-helixtrans-52-36.1-176-69.2-176.6179.1179.80113.8L923 I924 S925K921-L923 VanDerWaalsContact C-N 3.31Å; K921-L923 PolarHBondContact O-N 2.94Å; K921-I924 PolarHBondContact O-N 2.92Å; K921-S925 PolarHBondContact O-N 2.76Å; K921-S925 PolarHBondContact O-OG 2.8Å
922V90.7Very high93.8Very high72 Ų7239.8 Ų39.844%0.43620%0.202SC..Hα-helixtrans-63.2-33.4179.267.20000113.3P920 S925 R926P920-V922 HydrophobicContact CB-CG1 4.31Å; P920-V922 HydrophobicContact CG-CG1 4.23Å; P920-V922 PolarHBondContact O-N 3.29Å; V922-S925 PolarHBondContact O-OG 2.87Å; V922-R926 WeakPolarHBondContact O-CG 2.94Å
923L93.5Very high94.1Very high2 Ų234.9 Ų34.91%0.0118%0.181CC..Hα-helixtrans-86.9-27.2177.7-61.3-177.9000111.9N870 A900 V919 P920 K921 S925 R926 G927 L928 L977N870-L923 HydrophobicContact CB-CD1 4.28Å; N870-L923 HydrophobicContact CB-CD2 4.05Å; N870-L923 WeakPolarHBondContact O-CD1 3.36Å; A900-L923 HydrophobicContact CB-CD1 3.77Å; A900-L923 VanDerWaalsContact N-CD1 3.32Å; V919-L923 HydrophobicContact CG1-CB 3.77Å; P920-L923 HydrophobicContact CG-CB 4.34Å; P920-L923 HydrophobicContact CG-CD1 3.87Å; P920-L923 HydrophobicContact CG-CG 3.98Å; P920-L923 PolarHBondContact O-N 2.85Å; K921-L923 VanDerWaalsContact C-N 3.31Å; K921-L923 PolarHBondContact O-N 2.94Å; L923-S925 VanDerWaalsContact C-N 3.33Å; L923-R926 CarbonylContact O-C 3.59Å; L923-R926 WeakPolarHBondContact O-CA 3.29Å; L923-R926 PolarHBondContact O-N 2.67Å; L923-R926 VanDerWaalsContact O-N 3.07Å; L923-G927 PolarHBondContact O-N 2.83Å; L923-L928 PolarHBondContact O-N 3.09Å; L923-L928 VanDerWaalsContact O-N 3.1Å; L923-L977 HydrophobicContact CD2-CD2 4.02Å
924I92.7Very high94.2Very high30 Ų3034.9 Ų34.915%0.15418%0.181CC..Hα-helixtrans-60.3-45169.3-61.7173.3000110.2V919 P920 K921 R926 G927 L928 K929 E949 N950V919-I924 HydrophobicContact CB-CG1 4.21Å; V919-I924 HydrophobicContact CG1-CG1 3.87Å; P920-I924 PolarHBondContact O-N 3.16Å; P920-I924 VanDerWaalsContact O-N 3.17Å; K921-I924 PolarHBondContact O-N 2.92Å; I924-R926 PolarHBondContact O-N 3.08Å; I924-G927 PolarHBondContact O-N 3.08Å; I924-L928 VanDerWaalsContact CA-O 3.31Å; I924-L928 WeakPolarHBondContact CA-O 3.37Å; I924-K929 HydrophobicContact CG2-CG 4.43Å; I924-E949 HydrophobicContact CD1-CB 4.28Å; I924-E949 WeakPolarHBondContact CD1-O 3.19Å; I924-E949 HydrophobicContact CG2-CB 4.31Å; I924-N950 HydrophobicContact CD1-CB 3.77Å
925S89.5Confident94.1Very high98 Ų9837.9 Ų37.969%0.68520%0.199SC*.THydrogen-bonded Turntrans-64.8-20.7174.447.80000113.9K921 V922 L923 G927K921-S925 PolarHBondContact O-N 2.76Å; K921-S925 PolarHBondContact O-OG 2.8Å; V922-S925 PolarHBondContact O-OG 2.87Å; L923-S925 VanDerWaalsContact C-N 3.33Å; S925-G927 VanDerWaalsContact C-N 3.34Å
926R91.7Very high93.9Very high77 Ų7741.6 Ų41.629%0.29122%0.217SC..THydrogen-bonded Turntrans-90.14.4172.9-68.5176.162.5-163.6-2.8113.2N870 V922 L923 I924 K976 L977 N980N870-R926 PolarHBondContact ND2-NH1 2.92Å; N870-R926 VanDerWaalsContact ND2-NH1 3.14Å; N870-R926 PolarHBondContact OD1-NH1 3.29Å; V922-R926 WeakPolarHBondContact O-CG 2.94Å; L923-R926 CarbonylContact O-C 3.59Å; L923-R926 WeakPolarHBondContact O-CA 3.29Å; L923-R926 PolarHBondContact O-N 2.67Å; L923-R926 VanDerWaalsContact O-N 3.07Å; I924-R926 PolarHBondContact O-N 3.08Å; R926-K976 VanDerWaalsContact O-O 3.08Å; R926-L977 HydrophobicContact CB-CD2 4.05Å; R926-L977 PolarHBondContact NH2-O 3.33Å; R926-N980 PolarHBondContact O-ND2 3.06Å
927G91.8Very high93.7Very high17 Ų1741.4 Ų41.418%0.17522%0.216CC..THydrogen-bonded Turntrans99-3.317200000116.2L923 I924 S925L923-G927 PolarHBondContact O-N 2.83Å; I924-G927 PolarHBondContact O-N 3.08Å; S925-G927 VanDerWaalsContact C-N 3.34Å
928L95.2Very high93.5Very high0 Ų041.9 Ų41.90%022%0.219CC..  trans-86113.9174.1-17860.3000109.9A900 V919 L923 I924 W933 F972 A973 K976 L977A900-L928 HydrophobicContact CB-CD2 3.66Å; V919-L928 HydrophobicContact CG1-CB 4.47Å; V919-L928 HydrophobicContact CG1-CD2 4.38Å; V919-L928 HydrophobicContact CG1-CG 4.21Å; V919-L928 WeakPolarHBondContact CG1-O 3.22Å; V919-L928 HydrophobicContact CG2-CG 4.38Å; L923-L928 PolarHBondContact O-N 3.09Å; L923-L928 VanDerWaalsContact O-N 3.1Å; I924-L928 VanDerWaalsContact CA-O 3.31Å; I924-L928 WeakPolarHBondContact CA-O 3.37Å; L928-W933 HydrophobicContact CD1-CD2 4.36Å; L928-W933 HydrophobicContact CD1-CG 4.44Å; L928-F972 HydrophobicContact CD1-CD1 4.13Å; L928-F972 HydrophobicContact CD1-CE1 4.1Å; L928-A973 HydrophobicContact CD1-CB 4.38Å; L928-A973 HydrophobicContact CD2-CB 4.45Å; L928-K976 HydrophobicContact CB-CB 4.36Å; L928-K976 HydrophobicContact CD1-CB 4.28Å; L928-L977 HydrophobicContact CB-CD2 4.11Å; L928-L977 HydrophobicContact CB-CG 4.37Å; L928-L977 HydrophobicContact CD2-CD1 4.02Å; L928-L977 HydrophobicContact CD2-CG 4.36Å
929K96Very high93.1Very high56 Ų5647.7 Ų47.724%0.24324%0.243CC..  trans-117.7133.8178.9-59.7-177.3179.6-172.80111.3I924 N931 E932 W933 E949I924-K929 HydrophobicContact CG2-CG 4.43Å; K929-N931 WeakPolarHBondContact CB-OD1 3.25Å; K929-N931 PolarHBondContact O-N 3.49Å; K929-E932 HydrophobicContact CB-CB 4.38Å; K929-E932 HydrophobicContact CB-CG 4.14Å; K929-E932 HydrophobicContact CD-CG 4.5Å; K929-E932 PolarHBondContact O-N 2.6Å; K929-W933 WeakPolarHBondContact O-CB 3.33Å; K929-W933 PolarHBondContact O-N 3.09Å; K929-E949 HydrophobicContact CB-CB 4.38Å; K929-E949 HydrophobicContact CD-CB 4.45Å; K929-E949 HydrophobicContact CD-CG 4.01Å; K929-E949 WeakPolarHBondContact CD-OE1 3.21Å; K929-E949 VanDerWaalsContact CE-OE1 3.22Å; K929-E949 WeakPolarHBondContact CE-OE1 3.41Å; K929-E949 HydrophobicContact CG-CB 4.37Å; K929-E949 HydrophobicContact CG-CG 4.47Å; K929-E949 IonicContact NZ-OE1 2.71Å; K929-E949 PolarHBondContact NZ-OE1 2.81Å
930A96.5Very high92.9Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-58.2-46.5-176.300000113.2C917 V919 E932 W933 V934 E949 A952C917-A930 VanDerWaalsContact SG-CB 3.52Å; V919-A930 HydrophobicContact CB-CB 4.47Å; V919-A930 HydrophobicContact CG2-CB 3.86Å; A930-E932 PolarHBondContact O-N 2.82Å; A930-W933 PolarHBondContact O-N 3.47Å; A930-V934 PolarHBondContact O-N 2.86Å; A930-E949 VanDerWaalsContact CB-O 3.31Å; A930-E949 WeakPolarHBondContact CB-O 3.41Å; A930-E949 PolarHBondContact N-O 3.34Å; A930-A952 HydrophobicContact CB-CB 4.01Å; A930-A952 WeakPolarHBondContact O-CB 3.31Å
931N95.3Very high92.8Very high44 Ų4447.3 Ų47.324%0.23524%0.241CC..Hα-helixtrans-61.5-42178.262.3-24.1000112.9K929 T935 K948K929-N931 WeakPolarHBondContact CB-OD1 3.25Å; K929-N931 PolarHBondContact O-N 3.49Å; N931-T935 VanDerWaalsContact O-CB 3.27Å; N931-T935 WeakPolarHBondContact O-CB 3.29Å; N931-T935 PolarHBondContact O-N 3.3Å; N931-T935 PolarHBondContact O-OG1 2.85Å; N931-K948 PolarHBondContact N-O 2.82Å
932E94.8Very high92.7Very high67 Ų6744 Ų4431%0.31323%0.232SC..Hα-helixtrans-67.3-41.8176.1-62.1-176.1-170.700111.3K929 A930 T935 H936 F972 K976K929-E932 HydrophobicContact CB-CB 4.38Å; K929-E932 HydrophobicContact CB-CG 4.14Å; K929-E932 HydrophobicContact CD-CG 4.5Å; K929-E932 PolarHBondContact O-N 2.6Å; A930-E932 PolarHBondContact O-N 2.82Å; E932-T935 PolarHBondContact O-N 2.78Å; E932-H936 WeakPolarHBondContact O-CB 3.37Å; E932-H936 PolarHBondContact O-N 3.26Å; E932-F972 HydrophobicContact CB-CE1 4.29Å; E932-F972 HydrophobicContact CB-CZ 3.7Å; E932-K976 IonicContact OE2-NZ 2.73Å; E932-K976 PolarHBondContact OE2-NZ 3.39Å
933W95.3Very high92.5Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-61.5-47.6-179.4-165.214.6000112I873 A900 M902 C917 V919 L928 K929 A930 H936 I937 A969 F972 A973I873-W933 HydrophobicContact CD1-CZ2 4.02Å; I873-W933 HydrophobicContact CG1-CH2 4.21Å; I873-W933 HydrophobicContact CG1-CZ2 3.77Å; A900-W933 HydrophobicContact CB-CH2 4.46Å; A900-W933 HydrophobicContact CB-CZ3 4.03Å; M902-W933 HydrophobicContact CB-CE3 4.4Å; M902-W933 HydrophobicContact CB-CH2 3.46Å; M902-W933 VanDerWaalsContact CB-CH2 3.46Å; M902-W933 HydrophobicContact CB-CZ2 3.84Å; M902-W933 HydrophobicContact CB-CZ3 3.77Å; M902-W933 HydrophobicContact CE-CB 4.31Å; M902-W933 HydrophobicContact CE-CD2 3.35Å; M902-W933 HydrophobicContact CE-CE3 3.8Å; M902-W933 HydrophobicContact CE-CG 3.56Å; M902-W933 HydrophobicContact CE-CH2 4.5Å; M902-W933 HydrophobicContact CE-CZ2 4.13Å; M902-W933 HydrophobicContact CE-CZ3 4.34Å; M902-W933 HydrophobicContact SD-CD2 4.4Å; M902-W933 HydrophobicContact SD-CZ2 4.14Å; C917-W933 HydrophobicContact CB-CE3 4.1Å; C917-W933 HydrophobicContact CB-CZ3 4.26Å; V919-W933 HydrophobicContact CG2-CE3 4.16Å; V919-W933 HydrophobicContact CG2-CZ3 4.4Å; L928-W933 HydrophobicContact CD1-CD2 4.36Å; L928-W933 HydrophobicContact CD1-CG 4.44Å; K929-W933 WeakPolarHBondContact O-CB 3.33Å; K929-W933 PolarHBondContact O-N 3.09Å; A930-W933 PolarHBondContact O-N 3.47Å; W933-H936 WeakPolarHBondContact O-CB 3.35Å; W933-H936 PolarHBondContact O-N 3.18Å; W933-I937 PolarHBondContact O-N 3.43Å; W933-A969 PolarHBondContact NE1-O 3.46Å; W933-F972 HydrophobicContact CB-CD1 3.95Å; W933-F972 HydrophobicContact CB-CE1 3.87Å; W933-F972 AromaticContact CD1-CD1 3.41Å; W933-F972 VanDerWaalsContact CD1-CD1 3.41Å; W933-F972 AromaticContact CD1-CG 3.94Å; W933-F972 AromaticContact CG-CD1 3.84Å; W933-F972 HydrophobicContact CG-CD1 3.84Å; W933-F972 HydrophobicContact CG-CE1 4.27Å; W933-A973 HydrophobicContact CZ2-CB 3.88Å
934V94.6Very high92.2Very high0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-67.2-40.2176.11670000112M902 C917 A930 H936 I937 S938 A952 Q953 A954M902-V934 HydrophobicContact CE-CG2 4.14Å; C917-V934 HydrophobicContact CB-CG2 4.3Å; C917-V934 WeakPolarHBondContact SG-CG2 3.45Å; A930-V934 PolarHBondContact O-N 2.86Å; V934-H936 VanDerWaalsContact C-N 3.26Å; V934-H936 PolarHBondContact O-N 2.94Å; V934-I937 VanDerWaalsContact O-CG1 3.28Å; V934-I937 WeakPolarHBondContact O-CG1 3.43Å; V934-I937 PolarHBondContact O-N 2.77Å; V934-S938 VanDerWaalsContact O-CB 3.28Å; V934-S938 WeakPolarHBondContact O-CB 3.39Å; V934-S938 PolarHBondContact O-N 2.94Å; V934-S938 PolarHBondContact O-OG 3.14Å; V934-A952 HydrophobicContact CB-CB 4Å; V934-A952 HydrophobicContact CG2-CB 3.75Å; V934-Q953 WeakPolarHBondContact CG1-O 3.42Å; V934-A954 HydrophobicContact CG1-CB 3.55Å
935T92.6Very high91.9Very high66 Ų6650.6 Ų50.641%0.40527%0.267SS..Hα-helixtrans-61.9-38.4178.5-60.40000111N931 E932 I937 S938N931-T935 VanDerWaalsContact O-CB 3.27Å; N931-T935 WeakPolarHBondContact O-CB 3.29Å; N931-T935 PolarHBondContact O-N 3.3Å; N931-T935 PolarHBondContact O-OG1 2.85Å; E932-T935 PolarHBondContact O-N 2.78Å; T935-I937 PolarHBondContact O-N 3.16Å; T935-S938 PolarHBondContact O-OG 2.93Å
936H91.9Very high91.9Very high79 Ų7947.7 Ų47.737%0.36625%0.253SS..Hα-helixtrans-59.3-47.6178.8-171.969.2000112.4E932 W933 V934 F972E932-H936 WeakPolarHBondContact O-CB 3.37Å; E932-H936 PolarHBondContact O-N 3.26Å; W933-H936 WeakPolarHBondContact O-CB 3.35Å; W933-H936 PolarHBondContact O-N 3.18Å; V934-H936 VanDerWaalsContact C-N 3.26Å; V934-H936 PolarHBondContact O-N 2.94Å; H936-F972 HydrophobicContact CB-CD2 3.74Å; H936-F972 HydrophobicContact CB-CE2 3.99Å; H936-F972 HydrophobicContact CB-CG 4.34Å; H936-F972 AromaticContact CD2-CD2 3.72Å; H936-F972 AromaticContact CG-CD2 3.51Å; H936-F972 AromaticContact ND1-CD2 3.9Å
937I92.5Very high91.9Very high0 Ų046.3 Ų46.30%026%0.263CS..Hα-helixtrans-82.9-24.9-177.362.9177.1000114M902 V915 W933 V934 T935 K939 T940 V965 L968 A969M902-I937 HydrophobicContact CE-CD1 3.56Å; M902-I937 HydrophobicContact SD-CD1 3.57Å; M902-I937 VanDerWaalsContact SD-CD1 3.57Å; V915-I937 HydrophobicContact CB-CD1 4.35Å; V915-I937 HydrophobicContact CG1-CD1 3.77Å; V915-I937 HydrophobicContact CG2-CD1 4.23Å; W933-I937 PolarHBondContact O-N 3.43Å; V934-I937 VanDerWaalsContact O-CG1 3.28Å; V934-I937 WeakPolarHBondContact O-CG1 3.43Å; V934-I937 PolarHBondContact O-N 2.77Å; T935-I937 PolarHBondContact O-N 3.16Å; I937-K939 PolarHBondContact O-N 3.48Å; I937-K939 VanDerWaalsContact O-N 3.1Å; I937-T940 WeakPolarHBondContact O-CB 3.34Å; I937-T940 PolarHBondContact O-N 2.82Å; I937-V965 HydrophobicContact CB-CG1 4.24Å; I937-V965 HydrophobicContact CD1-CG1 4.14Å; I937-L968 HydrophobicContact CG2-CB 4.04Å; I937-A969 HydrophobicContact CG2-CB 4.02Å
938S90.7Very high92.1Very high10 Ų1053 Ų537%0.0729%0.287CS..Hα-helixtrans-58.4-28.9-175.163.60000113.7V934 T935 T940 M941 G943V934-S938 VanDerWaalsContact O-CB 3.28Å; V934-S938 WeakPolarHBondContact O-CB 3.39Å; V934-S938 PolarHBondContact O-N 2.94Å; V934-S938 PolarHBondContact O-OG 3.14Å; T935-S938 PolarHBondContact O-OG 2.93Å; S938-T940 VanDerWaalsContact C-N 3.34Å; S938-T940 PolarHBondContact O-N 3.2Å; S938-M941 VanDerWaalsContact O-CG 3.29Å; S938-M941 WeakPolarHBondContact O-CG 3.23Å; S938-G943 WeakPolarHBondContact O-CA 3.47Å; S938-G943 PolarHBondContact O-N 3.12Å
939K88.1Confident92.1Very high172 Ų17257 Ų5775%0.74831%0.306SS*.THydrogen-bonded Turntrans-65.5-36.1178.4-64.9-179.2179.6179.70112.7I937I937-K939 PolarHBondContact O-N 3.48Å; I937-K939 VanDerWaalsContact O-N 3.1Å
940T91.1Very high92Very high21 Ų2157.5 Ų57.513%0.12931%0.311CS..THydrogen-bonded Turntrans-71.5-40.4-175.9-49.40000111.5I937 S938 D942 T961 E964 V965 L968I937-T940 WeakPolarHBondContact O-CB 3.34Å; I937-T940 PolarHBondContact O-N 2.82Å; S938-T940 VanDerWaalsContact C-N 3.34Å; S938-T940 PolarHBondContact O-N 3.2Å; T940-D942 PolarHBondContact O-N 3.33Å; T940-T961 HydrophobicContact CG2-CG2 4.27Å; T940-E964 HydrophobicContact CG2-CB 3.97Å; T940-E964 HydrophobicContact CG2-CG 3.59Å; T940-E964 WeakPolarHBondContact CG2-OE2 3.43Å; T940-V965 HydrophobicContact CG2-CG2 4.26Å; T940-L968 HydrophobicContact CG2-CD1 4.05Å; T940-L968 WeakPolarHBondContact OG1-CD1 3.36Å
941M91.8Very high92Very high0 Ų059.5 Ų59.50%033%0.325CS..THydrogen-bonded Turntrans-82.19.2-179.557.7-170.2-92.700114.7L913 V915 S938 G943 A954 G956 S957 R958 V965L913-M941 HydrophobicContact CD2-CB 3.91Å; L913-M941 WeakPolarHBondContact O-CE 2.88Å; V915-M941 HydrophobicContact CG2-CE 4.16Å; V915-M941 HydrophobicContact CG2-SD 3.84Å; S938-M941 VanDerWaalsContact O-CG 3.29Å; S938-M941 WeakPolarHBondContact O-CG 3.23Å; M941-G943 PolarHBondContact O-N 3.16Å; M941-A954 HydrophobicContact CE-CB 3.76Å; M941-A954 HydrophobicContact SD-CB 4.2Å; M941-G956 CarbonylContact O-C 3.58Å; M941-G956 WeakPolarHBondContact O-CA 3.31Å; M941-S957 PolarHBondContact O-N 2.72Å; M941-R958 PolarHBondContact O-N 3.04Å; M941-V965 HydrophobicContact CB-CG2 4.07Å
942D89.6Confident92Very high114 Ų11457.6 Ų57.661%0.6132%0.316SS*.THydrogen-bonded Turntrans4846.7-169.7-170.335.1000111.7T940 S957 R958T940-D942 PolarHBondContact O-N 3.33Å; D942-S957 PolarHBondContact OD2-OG 2.82Å; D942-R958 HydrophobicContact CB-CG 4.09Å
943G86.5Confident92.1Very high17 Ų1759.2 Ų59.218%0.17532%0.323CS..EExtended strand (participates in β ladder)trans-115.5165.1-170.700000113.7S938 M941 V955S938-G943 WeakPolarHBondContact O-CA 3.47Å; S938-G943 PolarHBondContact O-N 3.12Å; M941-G943 PolarHBondContact O-N 3.16Å; G943-V955 CarbonylContact C-O 3.43Å; G943-V955 WeakPolarHBondContact CA-O 3.33Å
944K88.5Confident92.1Very high192 Ų19259.2 Ų59.284%0.83532%0.323SS*.EExtended strand (participates in β ladder)trans-113.2131167.2-67.7-177.9-178.9177.70108.5A954 V955K944-A954 WeakPolarHBondContact O-CA 3.22Å; K944-V955 PolarHBondContact N-O 3.32Å; K944-V955 VanDerWaalsContact N-O 3.07Å; K944-V955 PolarHBondContact O-N 3.46Å
945G86.5Confident92.1Very high32 Ų3262.3 Ų62.333%0.3334%0.342SS..EExtended strand (participates in β ladder)trans-129.1158.5178.900000112.9Q953G945-Q953 CarbonylContact C-O 3.57Å; G945-Q953 WeakPolarHBondContact CA-O 3.42Å
946G89.8Confident92Very high38 Ų3859.4 Ų59.439%0.39233%0.325SS..EExtended strand (participates in β ladder)trans-172.5164.3178.100000112.7A952 Q953G946-A952 WeakPolarHBondContact O-CA 3.49Å; G946-Q953 PolarHBondContact N-O 2.75Å; G946-Q953 PolarHBondContact O-N 3.04Å
947G91.8Very high92Very high48 Ų4858.7 Ų58.750%0.49533%0.329SS..EExtended strand (participates in β ladder)trans162.5-173.2-179.400000113.9S951G947-S951 CarbonylContact C-O 3.53Å; G947-S951 VanDerWaalsContact CA-O 3.31Å; G947-S951 WeakPolarHBondContact CA-O 3.35Å
948K94.7Very high91.8Very high157 Ų15763.6 Ų63.668%0.68335%0.348SS*.EExtended strand (participates in β ladder)trans-91172.9172.2-65.2-178.8-179.6-179.70109.9N931 N950 S951N931-K948 PolarHBondContact N-O 2.82Å; K948-N950 VanDerWaalsContact CB-OD1 3.25Å; K948-N950 WeakPolarHBondContact CB-OD1 3.49Å; K948-N950 PolarHBondContact O-N 3.34Å; K948-S951 PolarHBondContact N-O 3.25Å; K948-S951 PolarHBondContact O-N 2.75Å; K948-S951 VanDerWaalsContact O-O 3.1Å
949E94.9Very high91.7Very high83 Ų8364.8 Ų64.839%0.38835%0.353SS..THydrogen-bonded Turntrans-62.4-23.9178-57.4-171.314900113.3I924 K929 A930I924-E949 HydrophobicContact CD1-CB 4.28Å; I924-E949 WeakPolarHBondContact CD1-O 3.19Å; I924-E949 HydrophobicContact CG2-CB 4.31Å; K929-E949 HydrophobicContact CB-CB 4.38Å; K929-E949 HydrophobicContact CD-CB 4.45Å; K929-E949 HydrophobicContact CD-CG 4.01Å; K929-E949 WeakPolarHBondContact CD-OE1 3.21Å; K929-E949 VanDerWaalsContact CE-OE1 3.22Å; K929-E949 WeakPolarHBondContact CE-OE1 3.41Å; K929-E949 HydrophobicContact CG-CB 4.37Å; K929-E949 HydrophobicContact CG-CG 4.47Å; K929-E949 IonicContact NZ-OE1 2.71Å; K929-E949 PolarHBondContact NZ-OE1 2.81Å; A930-E949 VanDerWaalsContact CB-O 3.31Å; A930-E949 WeakPolarHBondContact CB-O 3.41Å; A930-E949 PolarHBondContact N-O 3.34Å
950N94.7Very high91.8Very high67 Ų6762.1 Ų62.136%0.35835%0.347SS..THydrogen-bonded Turntrans-98.9-14.9179.968.4-35.6000114.7Q918 V919 I924 K948Q918-N950 WeakPolarHBondContact CA-O 3.29Å; Q918-N950 VanDerWaalsContact CG-O 3.23Å; Q918-N950 WeakPolarHBondContact CG-O 3.45Å; Q918-N950 PolarHBondContact OE1-O 3.43Å; V919-N950 PolarHBondContact N-O 3.29Å; I924-N950 HydrophobicContact CD1-CB 3.77Å; K948-N950 VanDerWaalsContact CB-OD1 3.25Å; K948-N950 WeakPolarHBondContact CB-OD1 3.49Å; K948-N950 PolarHBondContact O-N 3.34Å
951S96Very high91.8Very high43 Ų4361.3 Ų61.330%0.30134%0.341SS..EExtended strand (participates in β ladder)trans-157.9128.1-175.9-1670000111.3C917 Q918 G947 K948C917-S951 WeakPolarHBondContact O-CA 3.46Å; Q918-S951 PolarHBondContact OE1-OG 2.94Å; G947-S951 CarbonylContact C-O 3.53Å; G947-S951 VanDerWaalsContact CA-O 3.31Å; G947-S951 WeakPolarHBondContact CA-O 3.35Å; K948-S951 PolarHBondContact N-O 3.25Å; K948-S951 PolarHBondContact O-N 2.75Å; K948-S951 VanDerWaalsContact O-O 3.1Å
952A96.4Very high91.8Very high4 Ų463 Ų633%0.03335%0.35CS..EExtended strand (participates in β ladder)trans-149.5161.2179.600000112.2C917 A930 V934 G946C917-A952 PolarHBondContact N-O 3.45Å; C917-A952 PolarHBondContact O-N 3.31Å; A930-A952 HydrophobicContact CB-CB 4.01Å; A930-A952 WeakPolarHBondContact O-CB 3.31Å; V934-A952 HydrophobicContact CB-CB 4Å; V934-A952 HydrophobicContact CG2-CB 3.75Å; G946-A952 WeakPolarHBondContact O-CA 3.49Å
953Q96.4Very high91.9Very high100 Ų10063.7 Ų63.747%0.46735%0.354SS..EExtended strand (participates in β ladder)trans-145.5153.7-18066.6-177.90.500112V915 L916 V934 G945 G946V915-Q953 CarbonylContact O-C 3.57Å; V915-Q953 WeakPolarHBondContact O-CA 3.23Å; V915-Q953 WeakPolarHBondContact O-CB 3.41Å; L916-Q953 HydrophobicContact CD2-CB 3.76Å; L916-Q953 HydrophobicContact CG-CB 4.14Å; V934-Q953 WeakPolarHBondContact CG1-O 3.42Å; G945-Q953 CarbonylContact C-O 3.57Å; G945-Q953 WeakPolarHBondContact CA-O 3.42Å; G946-Q953 PolarHBondContact N-O 2.75Å; G946-Q953 PolarHBondContact O-N 3.04Å
954A94.9Very high92.2Very high1 Ų167.7 Ų67.71%0.00837%0.368CS..EExtended strand (participates in β ladder)trans-139.6153.4171.200000111.8T914 V915 V934 M941 K944T914-A954 WeakPolarHBondContact CA-O 3.5Å; V915-A954 PolarHBondContact N-O 3.5Å; V915-A954 PolarHBondContact O-N 3.18Å; V934-A954 HydrophobicContact CG1-CB 3.55Å; M941-A954 HydrophobicContact CE-CB 3.76Å; M941-A954 HydrophobicContact SD-CB 4.2Å; K944-A954 WeakPolarHBondContact O-CA 3.22Å
955V93.9Very high92.4Very high65 Ų6558.5 Ų58.539%0.39433%0.328SS..EExtended strand (participates in β ladder)trans-133.7134.7170.8-176.20000108.8K912 L913 T914 G943 K944K912-V955 HydrophobicContact CB-CG1 4.46Å; K912-V955 HydrophobicContact CD-CG1 4.36Å; K912-V955 HydrophobicContact CG-CG1 4.44Å; L913-V955 CarbonylContact O-C 3.59Å; L913-V955 WeakPolarHBondContact O-CA 3.48Å; T914-V955 HydrophobicContact CG2-CG2 4.28Å; G943-V955 CarbonylContact C-O 3.43Å; G943-V955 WeakPolarHBondContact CA-O 3.33Å; K944-V955 PolarHBondContact N-O 3.32Å; K944-V955 VanDerWaalsContact N-O 3.07Å; K944-V955 PolarHBondContact O-N 3.46Å
956G91.8Very high92.8Very high5 Ų559.5 Ų59.55%0.05233%0.325CS..EExtended strand (participates in β ladder)trans-140.2165-176.100000111.7K912 L913 M941K912-G956 WeakPolarHBondContact CA-O 3.04Å; L913-G956 PolarHBondContact N-O 3.11Å; L913-G956 PolarHBondContact O-N 3.3Å; M941-G956 CarbonylContact O-C 3.58Å; M941-G956 WeakPolarHBondContact O-CA 3.31Å
957S90.9Very high93Very high63 Ų6363.1 Ų63.144%0.44133%0.332SS..SBendtrans-99.7-15.2-173.362.20000113.5K911 M941 D942K911-S957 WeakPolarHBondContact O-CA 3.47Å; M941-S957 PolarHBondContact O-N 2.72Å; D942-S957 PolarHBondContact OD2-OG 2.82Å
958R89.6Confident93.1Very high104 Ų10462.7 Ų62.739%0.39232%0.318SS..  trans-94.699.1-177.7-69-168.567.7-161.6-0.7111.7M941 D942 D960 T961M941-R958 PolarHBondContact O-N 3.04Å; D942-R958 HydrophobicContact CB-CG 4.09Å; R958-D960 WeakPolarHBondContact CA-OD1 3.49Å; R958-D960 WeakPolarHBondContact CB-OD1 3.45Å; R958-D960 IonicContact CZ-OD2 3.07Å; R958-D960 IonicContact NE-OD1 2.77Å; R958-D960 IonicContact NE-OD2 2.69Å; R958-D960 PolarHBondContact NE-OD2 3.48Å; R958-D960 IonicContact NH2-OD2 3.18Å; R958-D960 PolarHBondContact NH2-OD2 3.38Å; R958-T961 HydrophobicContact CB-CG2 3.98Å; R958-T961 VanDerWaalsContact NH2-CG2 3.35Å; R958-T961 PolarHBondContact O-OG1 2.97Å
959I87.8Confident93.1Very high34 Ų3455.2 Ų55.217%0.17429%0.286CS..SBendtrans-77.8-28.9174.5-60.7178.6000111D907 L908 T961 L962D907-I959 WeakPolarHBondContact O-CD1 3.44Å; L908-I959 HydrophobicContact CD2-CD1 4.36Å; L908-I959 HydrophobicContact CD2-CG2 4.32Å; I959-T961 PolarHBondContact O-N 3.38Å; I959-T961 VanDerWaalsContact O-N 3.13Å; I959-L962 WeakPolarHBondContact O-CB 3.1Å; I959-L962 PolarHBondContact O-N 3.46Å; I959-L962 VanDerWaalsContact O-N 3.11Å
960D89.9Confident93.1Very high117 Ų11754.4 Ų54.463%0.62628%0.284SS*.THydrogen-bonded Turntrans-60.9-18177.957.8-56.7000113.5R958R958-D960 WeakPolarHBondContact CA-OD1 3.49Å; R958-D960 WeakPolarHBondContact CB-OD1 3.45Å; R958-D960 IonicContact CZ-OD2 3.07Å; R958-D960 IonicContact NE-OD1 2.77Å; R958-D960 IonicContact NE-OD2 2.69Å; R958-D960 PolarHBondContact NE-OD2 3.48Å; R958-D960 IonicContact NH2-OD2 3.18Å; R958-D960 PolarHBondContact NH2-OD2 3.38Å
961T91.1Very high93Very high3 Ų354.5 Ų54.52%0.01828%0.284CS..THydrogen-bonded Turntrans-9211.4177.659.60000113.5T940 R958 I959 D963 E964 V965T940-T961 HydrophobicContact CG2-CG2 4.27Å; R958-T961 HydrophobicContact CB-CG2 3.98Å; R958-T961 VanDerWaalsContact NH2-CG2 3.35Å; R958-T961 PolarHBondContact O-OG1 2.97Å; I959-T961 PolarHBondContact O-N 3.38Å; I959-T961 VanDerWaalsContact O-N 3.13Å; T961-D963 PolarHBondContact O-N 3.39Å; T961-E964 PolarHBondContact O-N 3.05Å; T961-V965 VanDerWaalsContact O-CG2 3.31Å; T961-V965 WeakPolarHBondContact O-CG2 3.34Å; T961-V965 PolarHBondContact O-N 3.09Å
962L91.8Very high93Very high35 Ų3553.7 Ų53.718%0.18328%0.275CS..Hα-helixtrans-52.7-51-176.1175.560.8000112.5V875 I904 L913 I959 E964 V965 I966V875-L962 HydrophobicContact CG1-CD1 4.37Å; V875-L962 HydrophobicContact CG1-CD2 4.35Å; V875-L962 HydrophobicContact CG2-CD1 4.04Å; I904-L962 HydrophobicContact CB-CD1 4.5Å; I904-L962 HydrophobicContact CG2-CD1 3.6Å; L913-L962 HydrophobicContact CD1-CD1 4Å; I959-L962 WeakPolarHBondContact O-CB 3.1Å; I959-L962 PolarHBondContact O-N 3.46Å; I959-L962 VanDerWaalsContact O-N 3.11Å; L962-E964 VanDerWaalsContact C-N 3.31Å; L962-E964 PolarHBondContact O-N 2.96Å; L962-V965 PolarHBondContact O-N 3.33Å; L962-I966 HydrophobicContact CD1-CD1 4.06Å; L962-I966 HydrophobicContact CD1-CG1 4.39Å; L962-I966 HydrophobicContact CG-CD1 4.07Å; L962-I966 WeakPolarHBondContact O-CG1 3.47Å; L962-I966 PolarHBondContact O-N 2.98Å
963D92.3Very high92.8Very high129 Ų12953.5 Ų53.569%0.6927%0.273SS*.Hα-helixtrans-64.5-37.2-178.9-65-31.4000111.9T961 I966 H967T961-D963 PolarHBondContact O-N 3.39Å; D963-I966 PolarHBondContact O-N 3.43Å; D963-H967 WeakPolarHBondContact O-CB 3.45Å; D963-H967 PolarHBondContact O-N 2.67Å
964E92.7Very high92.6Very high101 Ų10152.5 Ų52.547%0.47227%0.271SS..Hα-helixtrans-67.1-40.9176.6-166.7-179.2177.600111.5T940 T961 L962 H967 L968T940-E964 HydrophobicContact CG2-CB 3.97Å; T940-E964 HydrophobicContact CG2-CG 3.59Å; T940-E964 WeakPolarHBondContact CG2-OE2 3.43Å; T961-E964 PolarHBondContact O-N 3.05Å; L962-E964 VanDerWaalsContact C-N 3.31Å; L962-E964 PolarHBondContact O-N 2.96Å; E964-H967 PolarHBondContact O-N 3.43Å; E964-L968 HydrophobicContact CG-CD1 4.14Å; E964-L968 WeakPolarHBondContact O-CB 3.47Å; E964-L968 VanDerWaalsContact O-CG 3.29Å; E964-L968 WeakPolarHBondContact O-CG 3.48Å; E964-L968 PolarHBondContact O-N 3.39Å
965V93Very high92.4Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-62.2-43.4175.3167.90000111I904 L913 V915 I937 T940 M941 T961 L962 A969I904-V965 HydrophobicContact CD1-CG1 3.95Å; L913-V965 HydrophobicContact CD2-CG2 4.12Å; V915-V965 HydrophobicContact CG2-CG1 4.47Å; I937-V965 HydrophobicContact CB-CG1 4.24Å; I937-V965 HydrophobicContact CD1-CG1 4.14Å; T940-V965 HydrophobicContact CG2-CG2 4.26Å; M941-V965 HydrophobicContact CB-CG2 4.07Å; T961-V965 VanDerWaalsContact O-CG2 3.31Å; T961-V965 WeakPolarHBondContact O-CG2 3.34Å; T961-V965 PolarHBondContact O-N 3.09Å; L962-V965 PolarHBondContact O-N 3.33Å; V965-A969 VanDerWaalsContact O-CB 3.31Å; V965-A969 WeakPolarHBondContact O-CB 3.35Å; V965-A969 PolarHBondContact O-N 3.48Å
966I94.3Very high92.3Very high52 Ų5255.4 Ų55.427%0.26728%0.284SS..Hα-helixtrans-62-47.6176.7-66.2163.6000110.2I873 V875 I904 L962 D963 A969 D970I873-I966 HydrophobicContact CG2-CG2 4.26Å; V875-I966 HydrophobicContact CG2-CD1 3.55Å; V875-I966 HydrophobicContact CG2-CG1 4.21Å; I904-I966 HydrophobicContact CD1-CG1 3.71Å; L962-I966 HydrophobicContact CD1-CD1 4.06Å; L962-I966 HydrophobicContact CD1-CG1 4.39Å; L962-I966 HydrophobicContact CG-CD1 4.07Å; L962-I966 WeakPolarHBondContact O-CG1 3.47Å; L962-I966 PolarHBondContact O-N 2.98Å; D963-I966 PolarHBondContact O-N 3.43Å; I966-A969 PolarHBondContact O-N 3.31Å; I966-D970 PolarHBondContact O-N 2.87Å
967H94.1Very high92.2Very high114 Ų11455.7 Ų55.753%0.52828%0.284SS..Hα-helixtrans-62.9-44.4-178.7-174.555.1000112.7D963 E964 A969 D970 I971D963-H967 WeakPolarHBondContact O-CB 3.45Å; D963-H967 PolarHBondContact O-N 2.67Å; E964-H967 PolarHBondContact O-N 3.43Å; H967-A969 VanDerWaalsContact C-N 3.35Å; H967-D970 PolarHBondContact O-N 3.18Å; H967-I971 WeakPolarHBondContact NE2-CD1 3.44Å; H967-I971 WeakPolarHBondContact O-CG1 3.37Å; H967-I971 PolarHBondContact O-N 3.44Å
968L94.5Very high91.8Very high39 Ų3956.9 Ų56.920%0.20429%0.289CS..Hα-helixtrans-66.8-36.4177.1-71.2171000112.3I937 T940 E964 D970 F972I937-L968 HydrophobicContact CG2-CB 4.04Å; T940-L968 HydrophobicContact CG2-CD1 4.05Å; T940-L968 WeakPolarHBondContact OG1-CD1 3.36Å; E964-L968 HydrophobicContact CG-CD1 4.14Å; E964-L968 WeakPolarHBondContact O-CB 3.47Å; E964-L968 VanDerWaalsContact O-CG 3.29Å; E964-L968 WeakPolarHBondContact O-CG 3.48Å; E964-L968 PolarHBondContact O-N 3.39Å; L968-D970 VanDerWaalsContact C-N 3.35Å; L968-F972 WeakPolarHBondContact O-CB 3.39Å; L968-F972 PolarHBondContact O-N 3.2Å; L968-F972 VanDerWaalsContact O-N 3.08Å
969A94.7Very high90.4Very high0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-62.2-43174.400000111.6I873 M902 W933 I937 V965 I966 H967 F972 A973I873-A969 HydrophobicContact CD1-CB 3.7Å; I873-A969 HydrophobicContact CG1-CB 4.35Å; M902-A969 HydrophobicContact SD-CB 3.59Å; M902-A969 VanDerWaalsContact SD-CB 3.59Å; W933-A969 PolarHBondContact NE1-O 3.46Å; I937-A969 HydrophobicContact CG2-CB 4.02Å; V965-A969 VanDerWaalsContact O-CB 3.31Å; V965-A969 WeakPolarHBondContact O-CB 3.35Å; V965-A969 PolarHBondContact O-N 3.48Å; I966-A969 PolarHBondContact O-N 3.31Å; H967-A969 VanDerWaalsContact C-N 3.35Å; A969-F972 PolarHBondContact O-N 3.34Å; A969-A973 WeakPolarHBondContact O-CB 3.35Å; A969-A973 PolarHBondContact O-N 3.28Å; A969-A973 VanDerWaalsContact O-N 3.09Å
970D94.4Very high88.4Confident66 Ų6663.1 Ų63.135%0.35333%0.33SS..Hα-helixtrans-63.9-50.8179.2-173.375.9000111.9Y871 I873 I966 H967 L968 F972 A973 N974Y871-D970 WeakPolarHBondContact CE2-OD1 3.36Å; Y871-D970 PolarHBondContact OH-OD1 3.27Å; I873-D970 HydrophobicContact CD1-CB 3.93Å; I873-D970 VanDerWaalsContact CD1-N 3.34Å; I966-D970 PolarHBondContact O-N 2.87Å; H967-D970 PolarHBondContact O-N 3.18Å; L968-D970 VanDerWaalsContact C-N 3.35Å; D970-F972 VanDerWaalsContact C-N 3.3Å; D970-F972 PolarHBondContact O-N 2.87Å; D970-A973 PolarHBondContact O-N 3.34Å; D970-N974 WeakPolarHBondContact O-CB 3.38Å; D970-N974 PolarHBondContact O-N 3.35Å
971I93.5Very high88.3Confident70 Ų7060.4 Ų60.436%0.35932%0.315SS..Hα-helixtrans-56.2-45.6177-70.3169.9000111H967 T975H967-I971 WeakPolarHBondContact NE2-CD1 3.44Å; H967-I971 WeakPolarHBondContact O-CG1 3.37Å; H967-I971 PolarHBondContact O-N 3.44Å; I971-T975 VanDerWaalsContact O-CB 3.28Å; I971-T975 WeakPolarHBondContact O-CB 2.98Å; I971-T975 PolarHBondContact O-N 2.89Å; I971-T975 PolarHBondContact O-OG1 3.11Å
972F94.3Very high88.2Confident26 Ų2663.4 Ų63.411%0.11433%0.331CS..Hα-helixtrans-63.2-47.8-178.4-172.9-86.3000111.6L928 E932 W933 H936 L968 A969 D970 K976L928-F972 HydrophobicContact CD1-CD1 4.13Å; L928-F972 HydrophobicContact CD1-CE1 4.1Å; E932-F972 HydrophobicContact CB-CE1 4.29Å; E932-F972 HydrophobicContact CB-CZ 3.7Å; W933-F972 HydrophobicContact CB-CD1 3.95Å; W933-F972 HydrophobicContact CB-CE1 3.87Å; W933-F972 AromaticContact CD1-CD1 3.41Å; W933-F972 VanDerWaalsContact CD1-CD1 3.41Å; W933-F972 AromaticContact CD1-CG 3.94Å; W933-F972 AromaticContact CG-CD1 3.84Å; W933-F972 HydrophobicContact CG-CD1 3.84Å; W933-F972 HydrophobicContact CG-CE1 4.27Å; H936-F972 HydrophobicContact CB-CD2 3.74Å; H936-F972 HydrophobicContact CB-CE2 3.99Å; H936-F972 HydrophobicContact CB-CG 4.34Å; H936-F972 AromaticContact CD2-CD2 3.72Å; H936-F972 AromaticContact CG-CD2 3.51Å; H936-F972 AromaticContact ND1-CD2 3.9Å; L968-F972 WeakPolarHBondContact O-CB 3.39Å; L968-F972 PolarHBondContact O-N 3.2Å; L968-F972 VanDerWaalsContact O-N 3.08Å; A969-F972 PolarHBondContact O-N 3.34Å; D970-F972 VanDerWaalsContact C-N 3.3Å; D970-F972 PolarHBondContact O-N 2.87Å; F972-K976 HydrophobicContact CD1-CG 4.2Å; F972-K976 HydrophobicContact CE1-CG 3.85Å; F972-K976 HydrophobicContact CZ-CD 4.47Å; F972-K976 VanDerWaalsContact CZ-CE 3.47Å; F972-K976 HydrophobicContact CZ-CG 4.14Å; F972-K976 WeakPolarHBondContact O-CG 3.48Å; F972-K976 PolarHBondContact O-N 3.13Å; F972-K976 VanDerWaalsContact O-N 3.13Å
973A93.1Very high88Confident0 Ų065 Ų650%034%0.339CS..Hα-helixtrans-64.2-44.6-179.700000111.8Y871 L928 W933 A969 D970 K976 L977Y871-A973 HydrophobicContact CD1-CB 3.89Å; Y871-A973 HydrophobicContact CD2-CB 3.89Å; Y871-A973 HydrophobicContact CE1-CB 4.01Å; Y871-A973 HydrophobicContact CE2-CB 4.01Å; Y871-A973 HydrophobicContact CG-CB 3.83Å; L928-A973 HydrophobicContact CD1-CB 4.38Å; L928-A973 HydrophobicContact CD2-CB 4.45Å; W933-A973 HydrophobicContact CZ2-CB 3.88Å; A969-A973 WeakPolarHBondContact O-CB 3.35Å; A969-A973 PolarHBondContact O-N 3.28Å; A969-A973 VanDerWaalsContact O-N 3.09Å; D970-A973 PolarHBondContact O-N 3.34Å; A973-K976 PolarHBondContact O-N 2.81Å; A973-L977 WeakPolarHBondContact O-CB 3.42Å; A973-L977 VanDerWaalsContact O-CG 3.31Å; A973-L977 WeakPolarHBondContact O-CG 3.35Å; A973-L977 PolarHBondContact O-N 3.25Å
974N91.9Very high87.7Confident79 Ų7961.2 Ų61.242%0.42232%0.319SS..Hα-helixtrans-61.6-50.4178.1-164.728000111.2D970 K976 L977 T978D970-N974 WeakPolarHBondContact O-CB 3.38Å; D970-N974 PolarHBondContact O-N 3.35Å; N974-K976 VanDerWaalsContact C-N 3.31Å; N974-K976 PolarHBondContact O-N 3.31Å; N974-L977 PolarHBondContact O-N 2.9Å; N974-T978 WeakPolarHBondContact O-CG2 3.37Å; N974-T978 PolarHBondContact O-N 2.87Å; N974-T978 PolarHBondContact O-OG1 3Å; N974-T978 VanDerWaalsContact O-OG1 3.06Å
975T91.5Very high87.4Confident64 Ų6458.8 Ų58.839%0.39331%0.309SS..Hα-helixtrans-57.9-41.5-179.3-57.40000112.4I971 L977 T978 N979I971-T975 VanDerWaalsContact O-CB 3.28Å; I971-T975 WeakPolarHBondContact O-CB 2.98Å; I971-T975 PolarHBondContact O-N 2.89Å; I971-T975 PolarHBondContact O-OG1 3.11Å; T975-L977 VanDerWaalsContact C-N 3.31Å; T975-L977 PolarHBondContact O-N 2.93Å; T975-T978 PolarHBondContact O-OG1 3.29Å; T975-N979 WeakPolarHBondContact O-CB 3.21Å; T975-N979 PolarHBondContact O-N 3.15Å; T975-N979 PolarHBondContact O-ND2 3.47Å
976K91.9Very high87Confident62 Ų6262.7 Ų62.727%0.2733%0.33SS..Hα-helixtrans-70.6-26.2179.7-70.8-67-166.1152.50113.2R926 L928 E932 F972 A973 N974R926-K976 VanDerWaalsContact O-O 3.08Å; L928-K976 HydrophobicContact CB-CB 4.36Å; L928-K976 HydrophobicContact CD1-CB 4.28Å; E932-K976 IonicContact OE2-NZ 2.73Å; E932-K976 PolarHBondContact OE2-NZ 3.39Å; F972-K976 HydrophobicContact CD1-CG 4.2Å; F972-K976 HydrophobicContact CE1-CG 3.85Å; F972-K976 HydrophobicContact CZ-CD 4.47Å; F972-K976 VanDerWaalsContact CZ-CE 3.47Å; F972-K976 HydrophobicContact CZ-CG 4.14Å; F972-K976 WeakPolarHBondContact O-CG 3.48Å; F972-K976 PolarHBondContact O-N 3.13Å; F972-K976 VanDerWaalsContact O-N 3.13Å; A973-K976 PolarHBondContact O-N 2.81Å; N974-K976 VanDerWaalsContact C-N 3.31Å; N974-K976 PolarHBondContact O-N 3.31Å
977L88.9Confident86.5Confident11 Ų1163.4 Ų63.46%0.05833%0.334CS..Hα-helixtrans-98.9-13.2-175.8-67.5173.1000114.3N870 Y871 L923 R926 L928 A973 N974 T975N870-L977 HydrophobicContact CB-CD1 3.84Å; Y871-L977 HydrophobicContact CD1-CD1 3.79Å; Y871-L977 HydrophobicContact CE1-CD1 4.4Å; L923-L977 HydrophobicContact CD2-CD2 4.02Å; R926-L977 HydrophobicContact CB-CD2 4.05Å; R926-L977 PolarHBondContact NH2-O 3.33Å; L928-L977 HydrophobicContact CB-CD2 4.11Å; L928-L977 HydrophobicContact CB-CG 4.37Å; L928-L977 HydrophobicContact CD2-CD1 4.02Å; L928-L977 HydrophobicContact CD2-CG 4.36Å; A973-L977 WeakPolarHBondContact O-CB 3.42Å; A973-L977 VanDerWaalsContact O-CG 3.31Å; A973-L977 WeakPolarHBondContact O-CG 3.35Å; A973-L977 PolarHBondContact O-N 3.25Å; N974-L977 PolarHBondContact O-N 2.9Å; T975-L977 VanDerWaalsContact C-N 3.31Å; T975-L977 PolarHBondContact O-N 2.93Å
978T82Confident85.9Confident89 Ų8959.5 Ų59.555%0.54632%0.319SS..Hα-helixtrans-95.1-23.5172.555.30000113.6N974 T975N974-T978 WeakPolarHBondContact O-CG2 3.37Å; N974-T978 PolarHBondContact O-N 2.87Å; N974-T978 PolarHBondContact O-OG1 3Å; N974-T978 VanDerWaalsContact O-OG1 3.06Å; T975-T978 PolarHBondContact O-OG1 3.29Å
979N60.5Low85.2Confident120 Ų12061.3 Ų61.364%0.64233%0.329SS*.  trans-90.17.4-176.9-73-16.4000114.4T975T975-N979 WeakPolarHBondContact O-CB 3.21Å; T975-N979 PolarHBondContact O-N 3.15Å; T975-N979 PolarHBondContact O-ND2 3.47Å
980N45.8Very low84.3Confident148 Ų14866.8 Ų66.879%0.79136%0.359SS*.  trans-139.80173.8-74-39.1000109.1R926R926-N980 PolarHBondContact O-ND2 3.06Å

Retrieved 980 of 980 residues in 1475.6 ms (Link to these results)

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