G4VKB6_SCHMA Loading...

RNA-binding protein NOB1

May play a role in mRNA degradation.

AlphaFold DB , UniProt , Accession G4VKB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 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
1M28.8Very low59.6Low240 Ų24098.4 Ų98.4100%1.18249%0.494SS*.  0118.10-80.117673.100107.4
2V28.3Very low62.6Low115 Ų11590.2 Ų90.270%0.69745%0.453SS*.  cis-157.3126-4.7170.20000103.4
3L27Very low65Low136 Ų13684 Ų8471%0.71242%0.422SS*.  trans33.598.4163.4-64.3156.8000119.1E5L3-E5 HydrophobicContact CB-CG 4.41Å; L3-E5 PolarHBondContact O-N 3.01Å
4N31.9Very low67Low163 Ų16379.5 Ų79.587%0.87240%0.401SS*.  trans-73.677.9156-95.111.7000108.9R6N4-R6 PolarHBondContact O-N 3.27Å
5E45.5Very low68.6Low135 Ų13575.2 Ų75.263%0.63138%0.383SS*.  trans-69.8112.7162.6-75.6174.5-172.500107.5L3 T7L3-E5 HydrophobicContact CB-CG 4.41Å; L3-E5 PolarHBondContact O-N 3.01Å; E5-T7 HydrophobicContact CB-CG2 4.33Å; E5-T7 PolarHBondContact O-N 2.77Å; E5-T7 PolarHBondContact O-OG1 3.17Å
6R58.3Low69.9Low201 Ų20170.5 Ų70.576%0.75836%0.359SS*.  trans-60.297.7178.7-63.2173.6-177.6175-0.1108N4N4-R6 PolarHBondContact O-N 3.27Å
7T69.2Low71.2Confident43 Ų4366.5 Ų66.526%0.26434%0.338SS..  trans-118.9131.9-175.143.20000108.8E5 H9 I29E5-T7 HydrophobicContact CB-CG2 4.33Å; E5-T7 PolarHBondContact O-N 2.77Å; E5-T7 PolarHBondContact O-OG1 3.17Å; T7-H9 PolarHBondContact O-CD2 2.61Å; T7-H9 PolarHBondContact O-NE2 3.35Å; T7-I29 HydrophobicContact CG2-CD1 4.17Å
8S86.3Confident72.3Confident38 Ų3867.9 Ų67.927%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-79.1141.5171.9-60.80000108.8A28 I29 V195S8-A28 CarbonylContact O-C 3.39Å; S8-A28 VanDerWaalsContact O-CA 3.24Å; S8-A28 WeakPolarHBondContact O-CA 3.34Å; S8-A28 VanDerWaalsContact O-CB 3.31Å; S8-A28 WeakPolarHBondContact O-CB 3.28Å; S8-I29 PolarHBondContact O-N 3.34Å; S8-V195 CarbonylContact C-O 3.46Å; S8-V195 WeakPolarHBondContact CA-O 3.23Å
9H92.1Very high73Confident1 Ų171.2 Ų71.21%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-117.4119.6180-58.2-84.3000109.6T7 Y31 Y100 V195 V196 A197T7-H9 PolarHBondContact O-CD2 2.61Å; T7-H9 PolarHBondContact O-NE2 3.35Å; H9-Y31 HydrophobicContact CB-CD2 4.26Å; H9-Y31 HydrophobicContact CB-CE2 3.7Å; H9-Y31 PolarHBondContact CE1-OH 2.97Å; H9-Y31 AromaticContact CG-CE2 3.88Å; H9-Y31 AromaticContact ND1-CE2 3.3Å; H9-Y31 VanDerWaalsContact ND1-CE2 3.3Å; H9-Y31 WeakPolarHBondContact ND1-CE2 3.28Å; H9-Y31 AromaticContact ND1-CZ 3.53Å; H9-Y31 PolarHBondContact ND1-OH 3Å; H9-Y100 AromaticContact CD2-CD2 3.58Å; H9-Y100 AromaticContact CD2-CE2 3.81Å; H9-Y100 AromaticContact CD2-CG 3.76Å; H9-Y100 AromaticContact CE1-CE1 3.7Å; H9-Y100 AromaticContact CE1-CE2 3.55Å; H9-Y100 AromaticContact CE1-CZ 3.3Å; H9-Y100 PolarHBondContact CE1-OH 2.85Å; H9-Y100 AromaticContact ND1-CE2 3.85Å; H9-Y100 AromaticContact NE2-CD1 3.46Å; H9-Y100 WeakPolarHBondContact NE2-CD1 3.41Å; H9-Y100 AromaticContact NE2-CD2 3.59Å; H9-Y100 AromaticContact NE2-CE1 3.33Å; H9-Y100 VanDerWaalsContact NE2-CE1 3.33Å; H9-Y100 WeakPolarHBondContact NE2-CE1 3.46Å; H9-Y100 AromaticContact NE2-CE2 3.49Å; H9-Y100 WeakPolarHBondContact NE2-CE2 3.39Å; H9-Y100 AromaticContact NE2-CG 3.58Å; H9-Y100 AromaticContact NE2-CZ 3.33Å; H9-Y100 VanDerWaalsContact NE2-CZ 3.33Å; H9-V195 PolarHBondContact N-O 2.83Å; H9-V196 HydrophobicContact CB-CG2 4.23Å; H9-V196 WeakPolarHBondContact O-CA 3.43Å; H9-A197 PolarHBondContact O-N 3.22Å
10I93.2Very high73.8Confident10 Ų1073.3 Ų73.35%0.05136%0.361CS..EExtended strand (participates in β ladder)trans-118.6124-178.7-62.8178.2000109.5V12 F26 A28 I29 I30 Y31 A197 L199I10-V12 HydrophobicContact CG2-CG2 3.93Å; I10-F26 HydrophobicContact CD1-CB 3.87Å; I10-F26 HydrophobicContact CD1-CD1 3.59Å; I10-F26 HydrophobicContact CD1-CE1 4.4Å; I10-F26 HydrophobicContact CD1-CG 4.05Å; I10-A28 HydrophobicContact CB-CB 4.33Å; I10-A28 HydrophobicContact CD1-CB 3.55Å; I10-A28 HydrophobicContact CG1-CB 3.68Å; I10-I29 PolarHBondContact N-O 3.2Å; I10-I30 WeakPolarHBondContact O-CA 3.48Å; I10-Y31 PolarHBondContact O-N 2.71Å; I10-A197 WeakPolarHBondContact CA-O 3.41Å; I10-L199 HydrophobicContact CG2-CB 3.76Å
11V95.6Very high74.3Confident0 Ų070.4 Ų70.40%035%0.348CS..EExtended strand (participates in β ladder)trans-93.6128.7171-175.50000109.4Y31 L89 L92 T93 L96 A197 C198 L199V11-Y31 CarbonylContact C-O 3.44Å; V11-Y31 WeakPolarHBondContact CA-O 3.41Å; V11-L89 HydrophobicContact CG1-CD2 3.73Å; V11-L92 HydrophobicContact CG1-CD2 4.05Å; V11-L92 HydrophobicContact CG1-CG 4.48Å; V11-L92 HydrophobicContact CG2-CD2 4.44Å; V11-L92 HydrophobicContact CG2-CG 4.28Å; V11-T93 HydrophobicContact CB-CG2 3.38Å; V11-T93 HydrophobicContact CG1-CG2 3.87Å; V11-T93 HydrophobicContact CG2-CG2 3.41Å; V11-T93 VanDerWaalsContact CG2-CG2 3.41Å; V11-L96 HydrophobicContact CG2-CD1 3.51Å; V11-A197 PolarHBondContact N-O 2.83Å; V11-C198 WeakPolarHBondContact O-CA 3.21Å; V11-L199 PolarHBondContact O-N 2.82Å
12V94.6Very high77Confident0 Ų068 Ų680%033%0.326CS..EExtended strand (participates in β ladder)trans-112.1125.1-168.5178.30000111.4I10 P16 F17 L23 I30 Y31 T32 L199I10-V12 HydrophobicContact CG2-CG2 3.93Å; V12-P16 HydrophobicContact CG1-CB 3.73Å; V12-P16 HydrophobicContact CG1-CG 3.95Å; V12-F17 HydrophobicContact CB-CE2 4.25Å; V12-F17 HydrophobicContact CB-CZ 4.1Å; V12-F17 HydrophobicContact CG1-CD2 4.11Å; V12-F17 HydrophobicContact CG1-CE1 4.07Å; V12-F17 HydrophobicContact CG1-CE2 3.5Å; V12-F17 HydrophobicContact CG1-CZ 3.49Å; V12-F17 VanDerWaalsContact CG1-CZ 3.49Å; V12-L23 HydrophobicContact CB-CD1 4.5Å; V12-L23 HydrophobicContact CG1-CD1 3.89Å; V12-L23 HydrophobicContact CG2-CD1 3.92Å; V12-I30 HydrophobicContact CB-CG2 4.31Å; V12-I30 HydrophobicContact CG2-CG2 3.58Å; V12-Y31 PolarHBondContact N-O 3.28Å; V12-T32 PolarHBondContact O-OG1 3.31Å; V12-L199 HydrophobicContact CG1-CD2 4.3Å; V12-L199 HydrophobicContact CG2-CB 4.34Å; V12-L199 HydrophobicContact CG2-CD2 4.16Å
13D94.5Very high79.7Confident10 Ų1062.8 Ų62.85%0.05329%0.294CS..  trans-78.3174.3170.9-179.223.1000112A15 P16 F17 L89 L199 T200 M205D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 3.18Å; D13-P16 WeakPolarHBondContact O-CD 3.38Å; D13-F17 VanDerWaalsContact O-CD2 3.28Å; D13-F17 WeakPolarHBondContact O-CD2 3.5Å; D13-L89 HydrophobicContact CB-CD1 4.16Å; D13-L199 VanDerWaalsContact CB-O 3.29Å; D13-L199 WeakPolarHBondContact CB-O 3.37Å; D13-L199 PolarHBondContact N-O 2.95Å; D13-T200 PolarHBondContact OD2-OG1 3.48Å; D13-M205 HydrophobicContact CB-CE 4.48Å; D13-M205 VanDerWaalsContact CG-CE 3.49Å; D13-M205 WeakPolarHBondContact OD2-CE 3.36Å
14T93Very high82.4Confident21 Ų2160.6 Ų60.613%0.12928%0.28CS..Hα-helixtrans-60.8-37.8177.3-45.30000113.1F17 L18 I40T14-F17 PolarHBondContact O-N 3.15Å; T14-F17 VanDerWaalsContact O-N 3.16Å; T14-L18 HydrophobicContact CG2-CD1 3.93Å; T14-L18 HydrophobicContact CG2-CG 4.17Å; T14-L18 PolarHBondContact O-N 2.95Å; T14-L18 VanDerWaalsContact O-N 3.08Å; T14-I40 HydrophobicContact CG2-CD1 4.43Å; T14-I40 HydrophobicContact CG2-CG1 3.81Å
15A91.1Very high84.8Confident15 Ų1558.1 Ų58.112%0.12427%0.271CS..Hα-helixtrans-61.8-43.4-171.500000114.6D13 F17 L18 K19 T201D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 3.18Å; A15-F17 VanDerWaalsContact C-N 3.32Å; A15-F17 PolarHBondContact O-N 2.54Å; A15-L18 PolarHBondContact O-N 3.33Å; A15-K19 PolarHBondContact O-N 2.66Å; A15-T201 HydrophobicContact CB-CG2 4.03Å; A15-T201 WeakPolarHBondContact CB-OG1 3.31Å
16P89.6Confident86.4Confident0 Ų053.8 Ų53.80%025%0.25CC..Hα-helixtrans-51.6-45169.5-32.536.5000114.4V12 D13 K19 R20 T21 L23 L199V12-P16 HydrophobicContact CG1-CB 3.73Å; V12-P16 HydrophobicContact CG1-CG 3.95Å; D13-P16 WeakPolarHBondContact O-CD 3.38Å; P16-K19 PolarHBondContact O-N 3.09Å; P16-R20 PolarHBondContact O-N 2.89Å; P16-R20 VanDerWaalsContact O-N 3.07Å; P16-T21 HydrophobicContact CB-CG2 4.43Å; P16-T21 WeakPolarHBondContact CB-OG1 3.37Å; P16-T21 PolarHBondContact O-N 3.14Å; P16-T21 PolarHBondContact O-OG1 3.42Å; P16-L23 HydrophobicContact CB-CD2 4.46Å; P16-L199 HydrophobicContact CB-CD2 3.48Å; P16-L199 VanDerWaalsContact CB-CD2 3.48Å; P16-L199 HydrophobicContact CB-CG 4.37Å; P16-L199 HydrophobicContact CG-CB 4.33Å; P16-L199 HydrophobicContact CG-CD2 3.21Å; P16-L199 HydrophobicContact CG-CG 3.57Å
17F91.8Very high87.2Confident2 Ų247.2 Ų47.21%0.00925%0.245CC..Hα-helixtrans-65.3-43177.8-60.4-58.7000111.9V12 D13 T14 A15 K19 R20 L23 V36 I40 T45 M49 L56V12-F17 HydrophobicContact CB-CE2 4.25Å; V12-F17 HydrophobicContact CB-CZ 4.1Å; V12-F17 HydrophobicContact CG1-CD2 4.11Å; V12-F17 HydrophobicContact CG1-CE1 4.07Å; V12-F17 HydrophobicContact CG1-CE2 3.5Å; V12-F17 HydrophobicContact CG1-CZ 3.49Å; V12-F17 VanDerWaalsContact CG1-CZ 3.49Å; D13-F17 VanDerWaalsContact O-CD2 3.28Å; D13-F17 WeakPolarHBondContact O-CD2 3.5Å; T14-F17 PolarHBondContact O-N 3.15Å; T14-F17 VanDerWaalsContact O-N 3.16Å; A15-F17 VanDerWaalsContact C-N 3.32Å; A15-F17 PolarHBondContact O-N 2.54Å; F17-K19 VanDerWaalsContact C-N 3.27Å; F17-K19 PolarHBondContact O-N 2.97Å; F17-R20 PolarHBondContact O-N 3.27Å; F17-R20 VanDerWaalsContact O-N 3.13Å; F17-L23 HydrophobicContact CE1-CD1 4.13Å; F17-V36 HydrophobicContact CD2-CG1 4.33Å; F17-V36 HydrophobicContact CE2-CG1 4.25Å; F17-I40 HydrophobicContact CB-CD1 4.06Å; F17-I40 HydrophobicContact CD2-CD1 4.16Å; F17-I40 HydrophobicContact CG-CD1 4.35Å; F17-T45 HydrophobicContact CB-CG2 4.24Å; F17-M49 HydrophobicContact CB-SD 4.03Å; F17-M49 HydrophobicContact CD1-CE 3.69Å; F17-M49 HydrophobicContact CD1-SD 3.19Å; F17-M49 WeakPolarHBondContact CD1-SD 2.92Å; F17-M49 HydrophobicContact CE1-CE 3.63Å; F17-M49 HydrophobicContact CE1-SD 3.71Å; F17-M49 HydrophobicContact CE2-CE 4.47Å; F17-M49 HydrophobicContact CG-CE 4.14Å; F17-M49 HydrophobicContact CG-SD 3.72Å; F17-M49 HydrophobicContact CZ-CE 4.04Å; F17-L56 HydrophobicContact CE1-CD1 4.23Å; F17-L56 HydrophobicContact CE1-CD2 4.13Å; F17-L56 HydrophobicContact CZ-CD1 4.34Å; F17-L56 HydrophobicContact CZ-CD2 4.05Å
18L90.3Very high87.9Confident92 Ų9246.1 Ų46.148%0.48224%0.24SC..Hα-helixtrans-62.8-33.7176.8-69.7171.2000112.8T14 A15 T45T14-L18 HydrophobicContact CG2-CD1 3.93Å; T14-L18 HydrophobicContact CG2-CG 4.17Å; T14-L18 PolarHBondContact O-N 2.95Å; T14-L18 VanDerWaalsContact O-N 3.08Å; A15-L18 PolarHBondContact O-N 3.33Å; L18-T45 HydrophobicContact CD2-CG2 4.34Å
19K87Confident88Confident131 Ų13146.9 Ų46.957%0.5724%0.241SC*.Hα-helixtrans-85.9-3.4177.3-71.9-175.2179.1-170.60113.9A15 P16 F17 T21 I219A15-K19 PolarHBondContact O-N 2.66Å; P16-K19 PolarHBondContact O-N 3.09Å; F17-K19 VanDerWaalsContact C-N 3.27Å; F17-K19 PolarHBondContact O-N 2.97Å; K19-T21 VanDerWaalsContact C-N 3.27Å; K19-T21 HydrophobicContact CB-CG2 3.86Å; K19-T21 PolarHBondContact O-N 3.33Å; K19-I219 HydrophobicContact CD-CD1 3.39Å; K19-I219 HydrophobicContact CD-CG1 4.34Å
20R87.7Confident88.1Confident112 Ų11247.2 Ų47.242%0.42324%0.243SC..THydrogen-bonded Turntrans54.242.5-178.1-54.4-178.8-170.515410.9113.1P16 F17 Y48P16-R20 PolarHBondContact O-N 2.89Å; P16-R20 VanDerWaalsContact O-N 3.07Å; F17-R20 PolarHBondContact O-N 3.27Å; F17-R20 VanDerWaalsContact O-N 3.13Å; R20-Y48 HydrophobicContact CB-CD1 4.47Å; R20-Y48 HydrophobicContact CB-CE1 4.2Å; R20-Y48 HydrophobicContact CB-CE2 4.38Å; R20-Y48 HydrophobicContact CG-CD1 4.12Å; R20-Y48 HydrophobicContact CG-CD2 4.48Å; R20-Y48 HydrophobicContact CG-CE1 4.34Å; R20-Y48 HydrophobicContact CG-CG 4.19Å
21T85.1Confident88.2Confident14 Ų1447.2 Ų47.29%0.08624%0.242CC..  trans-66135.3179.958.90000109.9P16 K19 L23 Y48 I219P16-T21 HydrophobicContact CB-CG2 4.43Å; P16-T21 WeakPolarHBondContact CB-OG1 3.37Å; P16-T21 PolarHBondContact O-N 3.14Å; P16-T21 PolarHBondContact O-OG1 3.42Å; K19-T21 VanDerWaalsContact C-N 3.27Å; K19-T21 HydrophobicContact CB-CG2 3.86Å; K19-T21 PolarHBondContact O-N 3.33Å; T21-L23 PolarHBondContact O-N 3.23Å; T21-L23 VanDerWaalsContact OG1-CD2 3.3Å; T21-L23 WeakPolarHBondContact OG1-CD2 3.46Å; T21-Y48 PolarHBondContact O-OH 2.9Å; T21-I219 HydrophobicContact CG2-CB 4.31Å; T21-I219 HydrophobicContact CG2-CG1 4.34Å; T21-I219 HydrophobicContact CG2-CG2 3.3Å
22R85.5Confident88.1Confident190 Ų19047.2 Ų47.272%0.71724%0.242SC*.  trans-74.685.6177.8-66.9-177.8175.2172.6-1.4110.3E24 T25R22-E24 PolarHBondContact O-N 3.12Å; R22-T25 HydrophobicContact CB-CG2 4.16Å; R22-T25 PolarHBondContact O-N 2.81Å; R22-T25 PolarHBondContact O-OG1 3.46Å
23L84.9Confident88.2Confident4 Ų447.2 Ų47.22%0.02124%0.242CC..G310 helixtrans-69.6-18.2-176.2-59.9-178.4000113.6V12 P16 F17 T21 T25 F26 I30 Y54 L199V12-L23 HydrophobicContact CB-CD1 4.5Å; V12-L23 HydrophobicContact CG1-CD1 3.89Å; V12-L23 HydrophobicContact CG2-CD1 3.92Å; P16-L23 HydrophobicContact CB-CD2 4.46Å; F17-L23 HydrophobicContact CE1-CD1 4.13Å; T21-L23 PolarHBondContact O-N 3.23Å; T21-L23 VanDerWaalsContact OG1-CD2 3.3Å; T21-L23 WeakPolarHBondContact OG1-CD2 3.46Å; L23-T25 PolarHBondContact O-N 3.45Å; L23-F26 HydrophobicContact CD2-CD2 4.4Å; L23-F26 HydrophobicContact CD2-CE2 3.9Å; L23-F26 HydrophobicContact CD2-CZ 4.31Å; L23-F26 VanDerWaalsContact O-CD2 3.3Å; L23-F26 WeakPolarHBondContact O-CD2 3.37Å; L23-F26 PolarHBondContact O-N 3.27Å; L23-I30 HydrophobicContact CB-CD1 3.41Å; L23-I30 VanDerWaalsContact CB-CD1 3.41Å; L23-I30 HydrophobicContact CB-CG1 4.35Å; L23-I30 HydrophobicContact CD1-CD1 4.31Å; L23-I30 HydrophobicContact CD1-CG2 4.27Å; L23-I30 HydrophobicContact CG-CD1 4.5Å; L23-Y54 HydrophobicContact CB-CE1 4.37Å; L23-Y54 HydrophobicContact CB-CE2 4.41Å; L23-Y54 WeakPolarHBondContact CD1-OH 3.48Å; L23-L199 HydrophobicContact CD2-CD2 3.38Å
24E83.8Confident88.2Confident91 Ų9149.4 Ų49.443%0.42526%0.257SS..G310 helixtrans-60.2-33.6176.5-62.6141.1-128.900112.8R22 F26 G27 P53 Y54R22-E24 PolarHBondContact O-N 3.12Å; E24-F26 PolarHBondContact O-N 2.9Å; E24-G27 PolarHBondContact O-N 2.98Å; E24-P53 HydrophobicContact CG-CG 3.94Å; E24-P53 WeakPolarHBondContact OE1-CD 3.5Å; E24-P53 WeakPolarHBondContact OE1-CG 3.4Å; E24-P53 VanDerWaalsContact OE2-CG 3.25Å; E24-P53 WeakPolarHBondContact OE2-CG 3.38Å; E24-Y54 HydrophobicContact CG-CD1 3.29Å; E24-Y54 HydrophobicContact CG-CE1 3.82Å; E24-Y54 HydrophobicContact CG-CG 4.15Å; E24-Y54 WeakPolarHBondContact OE1-CD1 3.5Å; E24-Y54 WeakPolarHBondContact OE1-CE1 3.42Å
25T81.4Confident88.3Confident110 Ų11051.4 Ų51.468%0.67527%0.265SS*.G310 helixtrans-71.5-12.3-174.759.70000112.8R22 L23 G27R22-T25 HydrophobicContact CB-CG2 4.16Å; R22-T25 PolarHBondContact O-N 2.81Å; R22-T25 PolarHBondContact O-OG1 3.46Å; L23-T25 PolarHBondContact O-N 3.45Å; T25-G27 VanDerWaalsContact C-N 3.29Å; T25-G27 PolarHBondContact O-N 3.27Å
26F80.2Confident88.4Confident44 Ų4450.7 Ų50.719%0.19326%0.259CS..G310 helixtrans-77.9-15-179.4-67.8-112000112.6I10 L23 E24 A28 L199 V217 I219I10-F26 HydrophobicContact CD1-CB 3.87Å; I10-F26 HydrophobicContact CD1-CD1 3.59Å; I10-F26 HydrophobicContact CD1-CE1 4.4Å; I10-F26 HydrophobicContact CD1-CG 4.05Å; L23-F26 HydrophobicContact CD2-CD2 4.4Å; L23-F26 HydrophobicContact CD2-CE2 3.9Å; L23-F26 HydrophobicContact CD2-CZ 4.31Å; L23-F26 VanDerWaalsContact O-CD2 3.3Å; L23-F26 WeakPolarHBondContact O-CD2 3.37Å; L23-F26 PolarHBondContact O-N 3.27Å; E24-F26 PolarHBondContact O-N 2.9Å; F26-A28 HydrophobicContact CB-CB 4.29Å; F26-A28 PolarHBondContact O-N 3.24Å; F26-L199 HydrophobicContact CE1-CD1 4.02Å; F26-L199 HydrophobicContact CZ-CD1 4.16Å; F26-V217 HydrophobicContact CE1-CG1 3.94Å; F26-I219 WeakPolarHBondContact CZ-O 3.21Å
27G74Confident88.5Confident64 Ų6453.5 Ų53.566%0.6627%0.274SS*.  trans61.827.6-177.600000113.6E24 T25E24-G27 PolarHBondContact O-N 2.98Å; T25-G27 VanDerWaalsContact C-N 3.29Å; T25-G27 PolarHBondContact O-N 3.27Å
28A83.4Confident88.5Confident19 Ų1957.4 Ų57.416%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-117.9155.3-173.200000112S8 I10 F26 I30S8-A28 CarbonylContact O-C 3.39Å; S8-A28 VanDerWaalsContact O-CA 3.24Å; S8-A28 WeakPolarHBondContact O-CA 3.34Å; S8-A28 VanDerWaalsContact O-CB 3.31Å; S8-A28 WeakPolarHBondContact O-CB 3.28Å; I10-A28 HydrophobicContact CB-CB 4.33Å; I10-A28 HydrophobicContact CD1-CB 3.55Å; I10-A28 HydrophobicContact CG1-CB 3.68Å; F26-A28 HydrophobicContact CB-CB 4.29Å; F26-A28 PolarHBondContact O-N 3.24Å; A28-I30 PolarHBondContact O-N 3.28Å
29I90.1Very high88.5Confident54 Ų5457.7 Ų57.728%0.27730%0.3SS..EExtended strand (participates in β ladder)trans-76.7122.5167.6-58.1174.8000108T7 S8 I10 Y31 N57T7-I29 HydrophobicContact CG2-CD1 4.17Å; S8-I29 PolarHBondContact O-N 3.34Å; I10-I29 PolarHBondContact N-O 3.2Å; I29-Y31 HydrophobicContact CB-CE2 3.81Å; I29-Y31 HydrophobicContact CG2-CD2 4.26Å; I29-Y31 HydrophobicContact CG2-CE1 4.35Å; I29-Y31 HydrophobicContact CG2-CE2 3.45Å; I29-Y31 VanDerWaalsContact CG2-CE2 3.45Å; I29-Y31 WeakPolarHBondContact CG2-OH 3.23Å; I29-Y31 VanDerWaalsContact O-CD2 3.3Å; I29-Y31 WeakPolarHBondContact O-CD2 3.43Å; I29-Y31 WeakPolarHBondContact O-CE2 3.37Å; I29-N57 WeakPolarHBondContact CG2-ND2 3.31Å
30I93Very high88.7Confident9 Ų951.9 Ų51.95%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-96122.8-173.8-62.4159.3000109.9I10 V12 L23 A28 Y54 L56 N57I10-I30 WeakPolarHBondContact O-CA 3.48Å; V12-I30 HydrophobicContact CB-CG2 4.31Å; V12-I30 HydrophobicContact CG2-CG2 3.58Å; L23-I30 HydrophobicContact CB-CD1 3.41Å; L23-I30 VanDerWaalsContact CB-CD1 3.41Å; L23-I30 HydrophobicContact CB-CG1 4.35Å; L23-I30 HydrophobicContact CD1-CD1 4.31Å; L23-I30 HydrophobicContact CD1-CG2 4.27Å; L23-I30 HydrophobicContact CG-CD1 4.5Å; A28-I30 PolarHBondContact O-N 3.28Å; I30-Y54 HydrophobicContact CB-CE2 4.45Å; I30-Y54 HydrophobicContact CD1-CD2 3.4Å; I30-Y54 VanDerWaalsContact CD1-CD2 3.4Å; I30-Y54 HydrophobicContact CD1-CE2 3.35Å; I30-Y54 HydrophobicContact CD1-CG 4.1Å; I30-Y54 HydrophobicContact CG1-CE2 4.49Å; I30-Y54 HydrophobicContact CG2-CE2 4.37Å; I30-L56 HydrophobicContact CB-CD2 4.31Å; I30-L56 HydrophobicContact CG2-CD2 3.5Å; I30-N57 WeakPolarHBondContact O-CB 3.27Å; I30-N57 PolarHBondContact O-N 3.3Å
31Y95.1Very high88.7Confident9 Ų954.9 Ų54.94%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-110.6145.8176.6-60.5-95.1000110.5H9 I10 V11 V12 I29 N57 Q59 L96H9-Y31 HydrophobicContact CB-CD2 4.26Å; H9-Y31 HydrophobicContact CB-CE2 3.7Å; H9-Y31 PolarHBondContact CE1-OH 2.97Å; H9-Y31 AromaticContact CG-CE2 3.88Å; H9-Y31 AromaticContact ND1-CE2 3.3Å; H9-Y31 VanDerWaalsContact ND1-CE2 3.3Å; H9-Y31 WeakPolarHBondContact ND1-CE2 3.28Å; H9-Y31 AromaticContact ND1-CZ 3.53Å; H9-Y31 PolarHBondContact ND1-OH 3Å; I10-Y31 PolarHBondContact O-N 2.71Å; V11-Y31 CarbonylContact C-O 3.44Å; V11-Y31 WeakPolarHBondContact CA-O 3.41Å; V12-Y31 PolarHBondContact N-O 3.28Å; I29-Y31 HydrophobicContact CB-CE2 3.81Å; I29-Y31 HydrophobicContact CG2-CD2 4.26Å; I29-Y31 HydrophobicContact CG2-CE1 4.35Å; I29-Y31 HydrophobicContact CG2-CE2 3.45Å; I29-Y31 VanDerWaalsContact CG2-CE2 3.45Å; I29-Y31 WeakPolarHBondContact CG2-OH 3.23Å; I29-Y31 VanDerWaalsContact O-CD2 3.3Å; I29-Y31 WeakPolarHBondContact O-CD2 3.43Å; I29-Y31 WeakPolarHBondContact O-CE2 3.37Å; Y31-N57 CarbonylContact C-O 3.49Å; Y31-N57 VanDerWaalsContact CA-O 3.29Å; Y31-N57 WeakPolarHBondContact CA-O 3.18Å; Y31-N57 HydrophobicContact CD1-CB 3.64Å; Y31-N57 HydrophobicContact CE1-CB 3.92Å; Y31-N57 HydrophobicContact CG-CB 4.27Å; Y31-Q59 HydrophobicContact CD1-CG 4.35Å; Y31-L96 HydrophobicContact CD1-CD1 4.12Å; Y31-L96 HydrophobicContact CD1-CD2 4.45Å; Y31-L96 HydrophobicContact CD2-CD1 3.75Å; Y31-L96 HydrophobicContact CE1-CD1 4.46Å; Y31-L96 HydrophobicContact CE1-CD2 4.13Å; Y31-L96 HydrophobicContact CE2-CD1 4.14Å; Y31-L96 HydrophobicContact CG-CD1 3.75Å
32T95Very high88.9Confident0 Ų057.5 Ų57.50%030%0.304CS..EExtended strand (participates in β ladder)trans-149.1-178.4169-165.50000109.5V12 L37 N57 C58 Q59V12-T32 PolarHBondContact O-OG1 3.31Å; T32-L37 HydrophobicContact CG2-CD1 4.37Å; T32-L37 HydrophobicContact CG2-CD2 4.38Å; T32-L37 HydrophobicContact CG2-CG 4.33Å; T32-N57 PolarHBondContact N-O 3.2Å; T32-C58 VanDerWaalsContact O-CA 3.31Å; T32-C58 WeakPolarHBondContact O-CA 3.27Å; T32-Q59 PolarHBondContact O-N 3.01Å
33I95.8Very high89Confident0 Ų052.8 Ų52.80%030%0.297CS..  trans-119.2138.3-176-68.9-171.6000108.1Q35 V36 Q59 N88 L89 L92I33-Q35 HydrophobicContact CG2-CB 4.05Å; I33-Q35 HydrophobicContact CG2-CG 4.45Å; I33-Q35 PolarHBondContact O-N 3.11Å; I33-Q35 VanDerWaalsContact O-N 3.1Å; I33-V36 HydrophobicContact CB-CG2 4.29Å; I33-V36 WeakPolarHBondContact O-CB 3.3Å; I33-V36 PolarHBondContact O-N 3.27Å; I33-Q59 WeakPolarHBondContact CG1-O 3.42Å; I33-N88 HydrophobicContact CD1-CB 3.65Å; I33-N88 VanDerWaalsContact CD1-O 3.23Å; I33-N88 WeakPolarHBondContact CD1-O 3.41Å; I33-L89 HydrophobicContact CB-CD2 4.11Å; I33-L89 VanDerWaalsContact CD1-CA 3.5Å; I33-L89 HydrophobicContact CD1-CB 4.34Å; I33-L89 HydrophobicContact CD1-CD2 3.79Å; I33-L89 HydrophobicContact CD1-CG 4Å; I33-L89 VanDerWaalsContact CD1-N 3.31Å; I33-L89 HydrophobicContact CG1-CD2 3.77Å; I33-L89 HydrophobicContact CG1-CG 4.45Å; I33-L92 HydrophobicContact CD1-CB 4.09Å; I33-L92 HydrophobicContact CD1-CD2 4.12Å; I33-L92 HydrophobicContact CG1-CD2 3.68Å
34P94.7Very high89.1Confident56 Ų5658.2 Ų58.236%0.36432%0.322SS..Hα-helixtrans-58.7-29.4-177.220.3-31.3000113.1V36 L37 S38 V60P34-V36 VanDerWaalsContact C-N 3.33Å; P34-V36 PolarHBondContact O-N 2.74Å; P34-L37 PolarHBondContact O-N 3.01Å; P34-S38 PolarHBondContact O-N 3.39Å; P34-S38 VanDerWaalsContact O-N 3.08Å; P34-V60 HydrophobicContact CG-CG2 3.93Å
35Q94.1Very high89.4Confident64 Ų6454 Ų5430%0.29930%0.302SS..Hα-helixtrans-61.1-38.4174.8-67.985.7-23.500112.7I33 L37 S38 E39 T85I33-Q35 HydrophobicContact CG2-CB 4.05Å; I33-Q35 HydrophobicContact CG2-CG 4.45Å; I33-Q35 PolarHBondContact O-N 3.11Å; I33-Q35 VanDerWaalsContact O-N 3.1Å; Q35-L37 PolarHBondContact O-N 2.89Å; Q35-S38 PolarHBondContact O-N 2.84Å; Q35-S38 PolarHBondContact O-OG 3.04Å; Q35-E39 PolarHBondContact O-N 3.36Å; Q35-T85 HydrophobicContact CB-CG2 3.6Å; Q35-T85 HydrophobicContact CG-CG2 4.41Å
36V93.4Very high89.9Confident0 Ų054.6 Ų54.60%029%0.292CS..Hα-helixtrans-60.9-46.9177172.80000110.4F17 I33 P34 S38 E39 I40 L89F17-V36 HydrophobicContact CD2-CG1 4.33Å; F17-V36 HydrophobicContact CE2-CG1 4.25Å; I33-V36 HydrophobicContact CB-CG2 4.29Å; I33-V36 WeakPolarHBondContact O-CB 3.3Å; I33-V36 PolarHBondContact O-N 3.27Å; P34-V36 VanDerWaalsContact C-N 3.33Å; P34-V36 PolarHBondContact O-N 2.74Å; V36-S38 VanDerWaalsContact C-N 3.28Å; V36-S38 PolarHBondContact O-N 2.98Å; V36-E39 WeakPolarHBondContact O-CB 3.49Å; V36-E39 PolarHBondContact O-N 3.23Å; V36-E39 VanDerWaalsContact O-N 3.12Å; V36-I40 PolarHBondContact O-N 3.43Å; V36-L89 HydrophobicContact CG2-CD1 3.74Å; V36-L89 HydrophobicContact CG2-CD2 3.96Å; V36-L89 HydrophobicContact CG2-CG 4.04Å
37L92.4Very high90.3Very high59 Ų5958.1 Ų58.131%0.30931%0.309SS..Hα-helixtrans-62-37.3178-59.7-178.3000112.1T32 P34 Q35 E39 M49 C58T32-L37 HydrophobicContact CG2-CD1 4.37Å; T32-L37 HydrophobicContact CG2-CD2 4.38Å; T32-L37 HydrophobicContact CG2-CG 4.33Å; P34-L37 PolarHBondContact O-N 3.01Å; Q35-L37 PolarHBondContact O-N 2.89Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 3.24Å; L37-M49 HydrophobicContact CD2-CE 3.38Å; L37-C58 VanDerWaalsContact CD1-SG 3.59Å
38S91.5Very high91.1Very high84 Ų8457.7 Ų57.759%0.58729%0.288SS*.Hα-helixtrans-69.9-27.7177.279.10000113.5P34 Q35 V36P34-S38 PolarHBondContact O-N 3.39Å; P34-S38 VanDerWaalsContact O-N 3.08Å; Q35-S38 PolarHBondContact O-N 2.84Å; Q35-S38 PolarHBondContact O-OG 3.04Å; V36-S38 VanDerWaalsContact C-N 3.28Å; V36-S38 PolarHBondContact O-N 2.98Å
39E89.9Confident91.3Very high98 Ų9858.2 Ų58.246%0.45829%0.288SS..Hα-helixtrans-75.5-30.5-178.7-176169.2-179.300112.3Q35 V36 L37 K41 T85Q35-E39 PolarHBondContact O-N 3.36Å; V36-E39 WeakPolarHBondContact O-CB 3.49Å; V36-E39 PolarHBondContact O-N 3.23Å; V36-E39 VanDerWaalsContact O-N 3.12Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 3.24Å; E39-K41 PolarHBondContact O-N 3.35Å; E39-T85 PolarHBondContact OE2-OG1 3.4Å
40I91Very high91.2Very high8 Ų862.3 Ų62.34%0.04131%0.31CS..  trans-64.4110.2178.6-62.5168.2000109.7T14 F17 V36 T45 R46T14-I40 HydrophobicContact CG2-CD1 4.43Å; T14-I40 HydrophobicContact CG2-CG1 3.81Å; F17-I40 HydrophobicContact CB-CD1 4.06Å; F17-I40 HydrophobicContact CD2-CD1 4.16Å; F17-I40 HydrophobicContact CG-CD1 4.35Å; V36-I40 PolarHBondContact O-N 3.43Å; I40-T45 HydrophobicContact CG2-CG2 3.68Å; I40-R46 HydrophobicContact CG2-CG 4.24Å; I40-R46 VanDerWaalsContact O-CZ 3.23Å; I40-R46 PolarHBondContact O-NE 2.91Å; I40-R46 PolarHBondContact O-NH2 3.49Å
41K88.7Confident91.1Very high175 Ų17566.8 Ų66.876%0.76134%0.341SS*.  trans-103-15.9178.5-71.3170.6-171.7169.80113.8E39E39-K41 PolarHBondContact O-N 3.35Å
42D88.1Confident90.7Very high69 Ų6967.8 Ų67.837%0.36935%0.347SS..  trans-68133-177.9178.249.9000111.3T45 R46D42-T45 WeakPolarHBondContact OD2-CB 3.45Å; D42-T45 PolarHBondContact OD2-N 2.96Å; D42-T45 PolarHBondContact OD2-OG1 3.11Å; D42-R46 WeakPolarHBondContact O-CG 3.49Å; D42-R46 PolarHBondContact O-N 2.75Å; D42-R46 VanDerWaalsContact O-N 3.09Å
43V88.4Confident90.3Very high92 Ų9272.3 Ų72.356%0.55838%0.376SS*.Hα-helixtrans-69.6-46.4-173.7179.20000110.4T45 R46 E47V43-T45 VanDerWaalsContact C-N 3.32Å; V43-T45 PolarHBondContact O-N 3.35Å; V43-R46 PolarHBondContact O-N 3.25Å; V43-R46 VanDerWaalsContact O-N 3.16Å; V43-E47 PolarHBondContact O-N 2.94Å
44Q88Confident89.8Confident118 Ų11874.1 Ų74.155%0.55138%0.383SS*.Hα-helixtrans-65.9-39.2-177.7-57.3-177.3-15.600111.3E47 Y48Q44-E47 PolarHBondContact O-N 3.2Å; Q44-Y48 WeakPolarHBondContact O-CB 3.45Å; Q44-Y48 PolarHBondContact O-N 2.97Å
45T89.8Confident89.5Confident1 Ų175.3 Ų75.31%0.00640%0.398CS..Hα-helixtrans-63.3-41.7174.6-52.90000111F17 L18 I40 D42 V43 Y48 M49F17-T45 HydrophobicContact CB-CG2 4.24Å; L18-T45 HydrophobicContact CD2-CG2 4.34Å; I40-T45 HydrophobicContact CG2-CG2 3.68Å; D42-T45 WeakPolarHBondContact OD2-CB 3.45Å; D42-T45 PolarHBondContact OD2-N 2.96Å; D42-T45 PolarHBondContact OD2-OG1 3.11Å; V43-T45 VanDerWaalsContact C-N 3.32Å; V43-T45 PolarHBondContact O-N 3.35Å; T45-Y48 WeakPolarHBondContact O-CB 3.47Å; T45-Y48 PolarHBondContact O-N 3.26Å; T45-M49 HydrophobicContact CG2-CG 4.44Å; T45-M49 WeakPolarHBondContact O-CG 3.26Å; T45-M49 PolarHBondContact O-N 3.13Å
46R90.8Very high89.3Confident124 Ų12474.2 Ų74.247%0.46839%0.394SS..Hα-helixtrans-63.4-41.7176.3-76.4176.8177.5-165.3-3.7113.2I40 D42 V43 Y48 M49 N50I40-R46 HydrophobicContact CG2-CG 4.24Å; I40-R46 VanDerWaalsContact O-CZ 3.23Å; I40-R46 PolarHBondContact O-NE 2.91Å; I40-R46 PolarHBondContact O-NH2 3.49Å; D42-R46 WeakPolarHBondContact O-CG 3.49Å; D42-R46 PolarHBondContact O-N 2.75Å; D42-R46 VanDerWaalsContact O-N 3.09Å; V43-R46 PolarHBondContact O-N 3.25Å; V43-R46 VanDerWaalsContact O-N 3.16Å; R46-Y48 VanDerWaalsContact C-N 3.34Å; R46-M49 PolarHBondContact O-N 3.14Å; R46-N50 PolarHBondContact O-N 3.28Å; R46-N50 VanDerWaalsContact O-N 3.14Å; R46-N50 PolarHBondContact O-ND2 3.39Å
47E90.4Very high89.3Confident118 Ų11877 Ų7755%0.55141%0.409SS*.Hα-helixtrans-61.3-44.8175.1-72.4170.7178.200110.9V43 Q44 M49 N50V43-E47 PolarHBondContact O-N 2.94Å; Q44-E47 PolarHBondContact O-N 3.2Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-M49 PolarHBondContact O-N 3.37Å; E47-N50 PolarHBondContact O-N 2.81Å
48Y89.3Confident89.4Confident55 Ų5577.2 Ų77.222%0.21641%0.414CS..Hα-helixtrans-58.4-44173.9172.9-107.3000112.5R20 T21 Q44 T45 R46 N50 C51 L52R20-Y48 HydrophobicContact CB-CD1 4.47Å; R20-Y48 HydrophobicContact CB-CE1 4.2Å; R20-Y48 HydrophobicContact CB-CE2 4.38Å; R20-Y48 HydrophobicContact CG-CD1 4.12Å; R20-Y48 HydrophobicContact CG-CD2 4.48Å; R20-Y48 HydrophobicContact CG-CE1 4.34Å; R20-Y48 HydrophobicContact CG-CG 4.19Å; T21-Y48 PolarHBondContact O-OH 2.9Å; Q44-Y48 WeakPolarHBondContact O-CB 3.45Å; Q44-Y48 PolarHBondContact O-N 2.97Å; T45-Y48 WeakPolarHBondContact O-CB 3.47Å; T45-Y48 PolarHBondContact O-N 3.26Å; R46-Y48 VanDerWaalsContact C-N 3.34Å; Y48-N50 VanDerWaalsContact C-N 3.27Å; Y48-N50 PolarHBondContact O-N 3.36Å; Y48-C51 PolarHBondContact O-N 2.92Å; Y48-L52 HydrophobicContact CD1-CD2 4.21Å; Y48-L52 HydrophobicContact CE1-CD2 3.66Å; Y48-L52 HydrophobicContact CE2-CD2 4.25Å; Y48-L52 PolarHBondContact O-N 2.97Å
49M87.7Confident89.5Confident30 Ų3076.2 Ų76.215%0.14840%0.4CS..Hα-helixtrans-62.8-31.5178.9-68.9-64.6-69.700113.3F17 L37 T45 R46 E47 C51 L52 L56F17-M49 HydrophobicContact CB-SD 4.03Å; F17-M49 HydrophobicContact CD1-CE 3.69Å; F17-M49 HydrophobicContact CD1-SD 3.19Å; F17-M49 WeakPolarHBondContact CD1-SD 2.92Å; F17-M49 HydrophobicContact CE1-CE 3.63Å; F17-M49 HydrophobicContact CE1-SD 3.71Å; F17-M49 HydrophobicContact CE2-CE 4.47Å; F17-M49 HydrophobicContact CG-CE 4.14Å; F17-M49 HydrophobicContact CG-SD 3.72Å; F17-M49 HydrophobicContact CZ-CE 4.04Å; L37-M49 HydrophobicContact CD2-CE 3.38Å; T45-M49 HydrophobicContact CG2-CG 4.44Å; T45-M49 WeakPolarHBondContact O-CG 3.26Å; T45-M49 PolarHBondContact O-N 3.13Å; R46-M49 PolarHBondContact O-N 3.14Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-M49 PolarHBondContact O-N 3.37Å; M49-C51 PolarHBondContact O-N 3.31Å; M49-L52 HydrophobicContact CE-CD1 3.94Å; M49-L52 WeakPolarHBondContact O-CG 3.43Å; M49-L52 HydrophobicContact SD-CD1 3.82Å; M49-L56 HydrophobicContact CE-CD1 3.41Å; M49-L56 VanDerWaalsContact CE-CD1 3.41Å
50N88.4Confident89.7Confident139 Ų13976.1 Ų76.174%0.74341%0.407SS*.Hα-helixtrans-72.8-15.9176.5-67.8-25.8000112.9R46 E47 Y48R46-N50 PolarHBondContact O-N 3.28Å; R46-N50 VanDerWaalsContact O-N 3.14Å; R46-N50 PolarHBondContact O-ND2 3.39Å; E47-N50 PolarHBondContact O-N 2.81Å; Y48-N50 VanDerWaalsContact C-N 3.27Å; Y48-N50 PolarHBondContact O-N 3.36Å
51C90.1Very high90Very high104 Ų10476.2 Ų76.270%0.70341%0.407SS*.THydrogen-bonded Turntrans-112.718.9-175.9-62.90000113Y48 M49Y48-C51 PolarHBondContact O-N 2.92Å; M49-C51 PolarHBondContact O-N 3.31Å
52L87.7Confident90.3Very high29 Ų2973 Ų7315%0.15240%0.395CS..  trans-67131.5178.9-65.3176.8000111Y48 M49 Y54 L56Y48-L52 HydrophobicContact CD1-CD2 4.21Å; Y48-L52 HydrophobicContact CE1-CD2 3.66Å; Y48-L52 HydrophobicContact CE2-CD2 4.25Å; Y48-L52 PolarHBondContact O-N 2.97Å; M49-L52 HydrophobicContact CE-CD1 3.94Å; M49-L52 WeakPolarHBondContact O-CG 3.43Å; M49-L52 HydrophobicContact SD-CD1 3.82Å; L52-Y54 HydrophobicContact CB-CD1 4.32Å; L52-Y54 HydrophobicContact CB-CE1 4.11Å; L52-Y54 HydrophobicContact CD1-CE2 4.15Å; L52-Y54 HydrophobicContact CD2-CE1 3.8Å; L52-Y54 WeakPolarHBondContact CD2-OH 3.38Å; L52-Y54 HydrophobicContact CG-CE1 4.35Å; L52-Y54 PolarHBondContact O-N 3Å; L52-L56 HydrophobicContact CD1-CD1 3.43Å; L52-L56 VanDerWaalsContact CD1-CD1 3.43Å; L52-L56 HydrophobicContact CD1-CG 3.96Å
53P86.8Confident90.7Very high95 Ų9574.5 Ų74.562%0.61741%0.407SS*.SBendtrans-8511.1-179.936.8-38.6000113.2E24E24-P53 HydrophobicContact CG-CG 3.94Å; E24-P53 WeakPolarHBondContact OE1-CD 3.5Å; E24-P53 WeakPolarHBondContact OE1-CG 3.4Å; E24-P53 VanDerWaalsContact OE2-CG 3.25Å; E24-P53 WeakPolarHBondContact OE2-CG 3.38Å
54Y85.4Confident91.1Very high38 Ų3875 Ų7515%0.14941%0.406CS..SBendtrans-132.9155178.557.7-86000111.2L23 E24 I30 L52 L56L23-Y54 HydrophobicContact CB-CE1 4.37Å; L23-Y54 HydrophobicContact CB-CE2 4.41Å; L23-Y54 WeakPolarHBondContact CD1-OH 3.48Å; E24-Y54 HydrophobicContact CG-CD1 3.29Å; E24-Y54 HydrophobicContact CG-CE1 3.82Å; E24-Y54 HydrophobicContact CG-CG 4.15Å; E24-Y54 WeakPolarHBondContact OE1-CD1 3.5Å; E24-Y54 WeakPolarHBondContact OE1-CE1 3.42Å; I30-Y54 HydrophobicContact CB-CE2 4.45Å; I30-Y54 HydrophobicContact CD1-CD2 3.4Å; I30-Y54 VanDerWaalsContact CD1-CD2 3.4Å; I30-Y54 HydrophobicContact CD1-CE2 3.35Å; I30-Y54 HydrophobicContact CD1-CG 4.1Å; I30-Y54 HydrophobicContact CG1-CE2 4.49Å; I30-Y54 HydrophobicContact CG2-CE2 4.37Å; L52-Y54 HydrophobicContact CB-CD1 4.32Å; L52-Y54 HydrophobicContact CB-CE1 4.11Å; L52-Y54 HydrophobicContact CD1-CE2 4.15Å; L52-Y54 HydrophobicContact CD2-CE1 3.8Å; L52-Y54 WeakPolarHBondContact CD2-OH 3.38Å; L52-Y54 HydrophobicContact CG-CE1 4.35Å; L52-Y54 PolarHBondContact O-N 3Å; Y54-L56 HydrophobicContact CD2-CD2 4.24Å; Y54-L56 HydrophobicContact CD2-CG 4.42Å; Y54-L56 HydrophobicContact CE2-CD2 3.58Å; Y54-L56 HydrophobicContact CE2-CG 4.01Å
55A87.2Confident91.5Very high81 Ų8169.7 Ų69.767%0.66938%0.383SS*.  trans-80.6128.2177.300000111.1
56L90.4Very high91.8Very high42 Ų4270.8 Ų70.822%0.2239%0.388CS..  trans-90.6117.8172.9-76.9175.6000110.9F17 I30 M49 L52 Y54 C58F17-L56 HydrophobicContact CE1-CD1 4.23Å; F17-L56 HydrophobicContact CE1-CD2 4.13Å; F17-L56 HydrophobicContact CZ-CD1 4.34Å; F17-L56 HydrophobicContact CZ-CD2 4.05Å; I30-L56 HydrophobicContact CB-CD2 4.31Å; I30-L56 HydrophobicContact CG2-CD2 3.5Å; M49-L56 HydrophobicContact CE-CD1 3.41Å; M49-L56 VanDerWaalsContact CE-CD1 3.41Å; L52-L56 HydrophobicContact CD1-CD1 3.43Å; L52-L56 VanDerWaalsContact CD1-CD1 3.43Å; L52-L56 HydrophobicContact CD1-CG 3.96Å; Y54-L56 HydrophobicContact CD2-CD2 4.24Å; Y54-L56 HydrophobicContact CD2-CG 4.42Å; Y54-L56 HydrophobicContact CE2-CD2 3.58Å; Y54-L56 HydrophobicContact CE2-CG 4.01Å; L56-C58 PolarHBondContact O-N 2.89Å
57N93.2Very high92.1Very high59 Ų5969.5 Ų69.532%0.31639%0.39SS..EExtended strand (participates in β ladder)trans-83.799.3177.1-69.7-17.3000110.8I29 I30 Y31 T32 Q59I29-N57 WeakPolarHBondContact CG2-ND2 3.31Å; I30-N57 WeakPolarHBondContact O-CB 3.27Å; I30-N57 PolarHBondContact O-N 3.3Å; Y31-N57 CarbonylContact C-O 3.49Å; Y31-N57 VanDerWaalsContact CA-O 3.29Å; Y31-N57 WeakPolarHBondContact CA-O 3.18Å; Y31-N57 HydrophobicContact CD1-CB 3.64Å; Y31-N57 HydrophobicContact CE1-CB 3.92Å; Y31-N57 HydrophobicContact CG-CB 4.27Å; T32-N57 PolarHBondContact N-O 3.2Å; N57-Q59 PolarHBondContact O-N 3.05Å
58C93.9Very high92.4Very high62 Ų6267.1 Ų67.142%0.41938%0.381SS..EExtended strand (participates in β ladder)trans-82.9115176-63.60000110.5T32 L37 L56T32-C58 VanDerWaalsContact O-CA 3.31Å; T32-C58 WeakPolarHBondContact O-CA 3.27Å; L37-C58 VanDerWaalsContact CD1-SG 3.59Å; L56-C58 PolarHBondContact O-N 2.89Å
59Q94.4Very high92.7Very high63 Ų6364.5 Ų64.529%0.29437%0.371SS..  trans-127.5155.8178.1-65-172.5-1.600110.8Y31 T32 I33 N57 L92Y31-Q59 HydrophobicContact CD1-CG 4.35Å; T32-Q59 PolarHBondContact O-N 3.01Å; I33-Q59 WeakPolarHBondContact CG1-O 3.42Å; N57-Q59 PolarHBondContact O-N 3.05Å; Q59-L92 HydrophobicContact CB-CD1 3.85Å; Q59-L92 HydrophobicContact CB-CD2 4.3Å
60V94.6Very high93.2Very high97 Ų9767.5 Ų67.559%0.58838%0.383SS*.  trans-115.8126.7175178.90000107.1P34P34-V60 HydrophobicContact CG-CG2 3.93Å
61P96.1Very high93.5Very high9 Ų962.5 Ų62.56%0.05836%0.364CS..  trans-71.1155.3-175.630.4-38.2000112.6I66 N88 A91 L92 E95P61-I66 HydrophobicContact CB-CG1 4.44Å; P61-I66 HydrophobicContact CG-CD1 4.08Å; P61-I66 HydrophobicContact CG-CG1 4.06Å; P61-N88 HydrophobicContact CG-CB 3.98Å; P61-N88 WeakPolarHBondContact CG-O 3.47Å; P61-A91 HydrophobicContact CB-CB 3.77Å; P61-A91 HydrophobicContact CG-CB 4.01Å; P61-L92 HydrophobicContact CB-CB 4.21Å; P61-E95 WeakPolarHBondContact CA-OE2 3.25Å
62E96Very high93.7Very high108 Ų10858 Ų5851%0.50533%0.333SS..  trans-64.5148.2172.1-68.4-173.5177.300113.1N64 S65 I66 E95E62-N64 PolarHBondContact O-N 2.96Å; E62-S65 PolarHBondContact O-N 3Å; E62-I66 WeakPolarHBondContact O-CG1 3.33Å; E62-I66 PolarHBondContact O-N 3.06Å; E62-E95 PolarHBondContact N-OE2 2.8Å
63T96.5Very high94.1Very high101 Ų10156.6 Ų56.662%0.6233%0.326SS*.Hα-helixtrans-62.8-30.4179.153.50000113.2I66 N67T63-I66 PolarHBondContact O-N 3Å; T63-N67 VanDerWaalsContact O-CG 3.28Å; T63-N67 PolarHBondContact O-N 3.43Å; T63-N67 VanDerWaalsContact O-N 3.11Å; T63-N67 PolarHBondContact O-ND2 3.28Å
64N96.4Very high94.4Very high101 Ų10159.5 Ų59.554%0.5433%0.329SS..Hα-helixtrans-63.7-48.6176.1-68.7-25.5000111.3E62 I66 N67 I68E62-N64 PolarHBondContact O-N 2.96Å; N64-I66 VanDerWaalsContact C-N 3.33Å; N64-I66 PolarHBondContact O-N 2.93Å; N64-N67 PolarHBondContact O-N 3.45Å; N64-I68 WeakPolarHBondContact O-CG1 3.5Å; N64-I68 PolarHBondContact O-N 3.37Å; N64-I68 VanDerWaalsContact O-N 3.12Å
65S95.6Very high94.8Very high8 Ų864.5 Ų64.56%0.05635%0.353CS..Hα-helixtrans-60.3-43177-56.60000111.3E62 N67 I68 I69E62-S65 PolarHBondContact O-N 3Å; S65-N67 VanDerWaalsContact C-N 3.31Å; S65-N67 PolarHBondContact O-N 3.11Å; S65-I68 PolarHBondContact O-N 2.91Å; S65-I69 WeakPolarHBondContact O-CG1 3.37Å; S65-I69 PolarHBondContact O-N 2.85Å
66I97Very high95Very high23 Ų2360.9 Ų60.912%0.11832%0.323CS..Hα-helixtrans-57.8-43.3175.9-64.7170.3000111.4P61 E62 T63 N64 I69 K70 I87 A91P61-I66 HydrophobicContact CB-CG1 4.44Å; P61-I66 HydrophobicContact CG-CD1 4.08Å; P61-I66 HydrophobicContact CG-CG1 4.06Å; E62-I66 WeakPolarHBondContact O-CG1 3.33Å; E62-I66 PolarHBondContact O-N 3.06Å; T63-I66 PolarHBondContact O-N 3Å; N64-I66 VanDerWaalsContact C-N 3.33Å; N64-I66 PolarHBondContact O-N 2.93Å; I66-I69 PolarHBondContact O-N 2.84Å; I66-K70 HydrophobicContact CG2-CD 4.01Å; I66-K70 HydrophobicContact CG2-CG 4.44Å; I66-K70 WeakPolarHBondContact O-CB 3.32Å; I66-K70 VanDerWaalsContact O-CG 3.28Å; I66-K70 WeakPolarHBondContact O-CG 3.29Å; I66-K70 PolarHBondContact O-N 3.13Å; I66-I87 HydrophobicContact CG2-CG2 4.02Å; I66-A91 HydrophobicContact CB-CB 4.36Å; I66-A91 HydrophobicContact CG1-CB 3.7Å
67N97.1Very high94.9Very high97 Ų9760.8 Ų60.852%0.51933%0.332SS..Hα-helixtrans-68.4-39-178.4-70.7-25.4000112.4T63 N64 S65 K70 G71T63-N67 VanDerWaalsContact O-CG 3.28Å; T63-N67 PolarHBondContact O-N 3.43Å; T63-N67 VanDerWaalsContact O-N 3.11Å; T63-N67 PolarHBondContact O-ND2 3.28Å; N64-N67 PolarHBondContact O-N 3.45Å; S65-N67 VanDerWaalsContact C-N 3.31Å; S65-N67 PolarHBondContact O-N 3.11Å; N67-K70 PolarHBondContact O-N 2.85Å; N67-G71 PolarHBondContact O-N 3.16Å
68I95.8Very high94.8Very high69 Ų6958.1 Ų58.135%0.35432%0.318SS..Hα-helixtrans-60.7-51.1174.9-65.9167.2000109.9N64 S65 K70 G71 I72 Y94N64-I68 WeakPolarHBondContact O-CG1 3.5Å; N64-I68 PolarHBondContact O-N 3.37Å; N64-I68 VanDerWaalsContact O-N 3.12Å; S65-I68 PolarHBondContact O-N 2.91Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.88Å; I68-G71 WeakPolarHBondContact O-CA 3.41Å; I68-G71 PolarHBondContact O-N 3Å; I68-I72 HydrophobicContact CG2-CD1 4.22Å; I68-I72 PolarHBondContact O-N 3.33Å; I68-Y94 HydrophobicContact CD1-CE1 3.99Å; I68-Y94 HydrophobicContact CG2-CE2 4.36Å
69I96.8Very high94.7Very high0 Ų058.6 Ų58.60%032%0.316CS..Hα-helixtrans-62.8-39.3179.7-65.4-50000111.9S65 I66 G71 I72 A73 I87 I90 A91 Y94 V208 A212S65-I69 WeakPolarHBondContact O-CG1 3.37Å; S65-I69 PolarHBondContact O-N 2.85Å; I66-I69 PolarHBondContact O-N 2.84Å; I69-G71 VanDerWaalsContact C-N 3.25Å; I69-G71 PolarHBondContact O-N 2.87Å; I69-I72 HydrophobicContact CD1-CD1 4.1Å; I69-I72 PolarHBondContact O-N 3.43Å; I69-A73 WeakPolarHBondContact O-CB 3.43Å; I69-A73 PolarHBondContact O-N 3.33Å; I69-I87 HydrophobicContact CG2-CG2 4.36Å; I69-I90 HydrophobicContact CB-CG2 4.37Å; I69-I90 HydrophobicContact CD1-CG2 3.7Å; I69-I90 HydrophobicContact CG1-CG2 3.87Å; I69-I90 HydrophobicContact CG2-CB 3.87Å; I69-I90 HydrophobicContact CG2-CG2 3.54Å; I69-A91 HydrophobicContact CG1-CB 4.32Å; I69-Y94 HydrophobicContact CD1-CD2 4.15Å; I69-Y94 HydrophobicContact CD1-CG 4.28Å; I69-V208 HydrophobicContact CG2-CG1 4.15Å; I69-A212 HydrophobicContact CD1-CB 4.31Å
70K96.9Very high94.5Very high93 Ų9359.3 Ų59.340%0.40433%0.328SS..Hα-helixtrans-59.6-37.2172-78.4174.8179.8173.60112.3I66 N67 I68 K74 I87I66-K70 HydrophobicContact CG2-CD 4.01Å; I66-K70 HydrophobicContact CG2-CG 4.44Å; I66-K70 WeakPolarHBondContact O-CB 3.32Å; I66-K70 VanDerWaalsContact O-CG 3.28Å; I66-K70 WeakPolarHBondContact O-CG 3.29Å; I66-K70 PolarHBondContact O-N 3.13Å; N67-K70 PolarHBondContact O-N 2.85Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.88Å; K70-K74 WeakPolarHBondContact O-CB 3.24Å; K70-K74 PolarHBondContact O-N 3.12Å; K70-I87 HydrophobicContact CG-CD1 4.3Å; K70-I87 HydrophobicContact CG-CG2 3.93Å
71G95.4Very high94.2Very high34 Ų3457.6 Ų57.635%0.35132%0.317SS..Hα-helixtrans-60.4-48.7173.200000112N67 I68 I69 K74 Q75N67-G71 PolarHBondContact O-N 3.16Å; I68-G71 WeakPolarHBondContact O-CA 3.41Å; I68-G71 PolarHBondContact O-N 3Å; I69-G71 VanDerWaalsContact C-N 3.25Å; I69-G71 PolarHBondContact O-N 2.87Å; G71-K74 WeakPolarHBondContact O-CB 3.36Å; G71-K74 PolarHBondContact O-N 3.18Å; G71-Q75 WeakPolarHBondContact O-CG 3.23Å; G71-Q75 PolarHBondContact O-N 3.13Å; G71-Q75 VanDerWaalsContact O-N 3.11Å
72I94.6Very high94.1Very high9 Ų957.8 Ų57.85%0.04632%0.318CS..Hα-helixtrans-64.1-47.8177.9-60.5169.6000110.5I68 I69 K74 Q75 T76 L106 V208 H211 A212I68-I72 HydrophobicContact CG2-CD1 4.22Å; I68-I72 PolarHBondContact O-N 3.33Å; I69-I72 HydrophobicContact CD1-CD1 4.1Å; I69-I72 PolarHBondContact O-N 3.43Å; I72-K74 PolarHBondContact O-N 3.05Å; I72-Q75 WeakPolarHBondContact O-CA 3.4Å; I72-Q75 WeakPolarHBondContact O-CB 3.37Å; I72-Q75 PolarHBondContact O-N 3.25Å; I72-T76 HydrophobicContact CG2-CG2 4.31Å; I72-T76 WeakPolarHBondContact O-CG2 3.15Å; I72-T76 PolarHBondContact O-N 3.33Å; I72-L106 HydrophobicContact CD1-CD2 3.59Å; I72-L106 HydrophobicContact CG1-CD2 4.49Å; I72-V208 HydrophobicContact CG2-CG1 4.12Å; I72-H211 HydrophobicContact CG2-CB 4.18Å; I72-A212 HydrophobicContact CD1-CB 3.9Å
73A95.4Very high93.9Very high0 Ų054.8 Ų54.80%031%0.309CS..Hα-helixtrans-60.5-28.5177.900000113.1I69 T76 G77 D78 L79 L82 V208I69-A73 WeakPolarHBondContact O-CB 3.43Å; I69-A73 PolarHBondContact O-N 3.33Å; A73-T76 PolarHBondContact O-OG1 3.25Å; A73-G77 PolarHBondContact O-N 2.69Å; A73-D78 PolarHBondContact O-N 3.26Å; A73-L79 HydrophobicContact CB-CB 4.33Å; A73-L79 HydrophobicContact CB-CD1 4.38Å; A73-L79 PolarHBondContact O-N 3.42Å; A73-L82 HydrophobicContact CB-CD1 4.15Å; A73-V208 HydrophobicContact CB-CG1 4.44Å; A73-V208 HydrophobicContact CB-CG2 4.03Å
74K94.4Very high93.8Very high156 Ų15653.6 Ų53.668%0.67831%0.309SS*.Hα-helixtrans-73.2-38.9172.4-173.3-179.9178.3-177.10111.7K70 G71 I72 G77 L79K70-K74 WeakPolarHBondContact O-CB 3.24Å; K70-K74 PolarHBondContact O-N 3.12Å; G71-K74 WeakPolarHBondContact O-CB 3.36Å; G71-K74 PolarHBondContact O-N 3.18Å; I72-K74 PolarHBondContact O-N 3.05Å; K74-G77 PolarHBondContact O-N 2.98Å; K74-L79 HydrophobicContact CB-CD2 4.47Å
75Q92.6Very high93.8Very high142 Ų14249.9 Ų49.966%0.66429%0.29SS*.Hα-helixtrans-66.8-43.9175.3-69176.7-2.100111.4G71 I72 G77 V109G71-Q75 WeakPolarHBondContact O-CG 3.23Å; G71-Q75 PolarHBondContact O-N 3.13Å; G71-Q75 VanDerWaalsContact O-N 3.11Å; I72-Q75 WeakPolarHBondContact O-CA 3.4Å; I72-Q75 WeakPolarHBondContact O-CB 3.37Å; I72-Q75 PolarHBondContact O-N 3.25Å; Q75-G77 VanDerWaalsContact C-N 3.26Å; Q75-G77 PolarHBondContact O-N 2.81Å; Q75-V109 HydrophobicContact CB-CB 4.5Å; Q75-V109 HydrophobicContact CB-CG2 4.17Å
76T91.3Very high93.8Very high6 Ų650.5 Ų50.54%0.03729%0.293CS..Hα-helixtrans-68.5-26175.369.10000112.4I72 A73 D78 V109 V208 H211 K242I72-T76 HydrophobicContact CG2-CG2 4.31Å; I72-T76 WeakPolarHBondContact O-CG2 3.15Å; I72-T76 PolarHBondContact O-N 3.33Å; A73-T76 PolarHBondContact O-OG1 3.25Å; T76-D78 VanDerWaalsContact CB-OD2 3.23Å; T76-D78 WeakPolarHBondContact CB-OD2 3.31Å; T76-D78 PolarHBondContact OG1-N 3.41Å; T76-D78 PolarHBondContact OG1-OD2 3.28Å; T76-V109 HydrophobicContact CG2-CG1 4.23Å; T76-V109 HydrophobicContact CG2-CG2 3.84Å; T76-V208 HydrophobicContact CG2-CG2 4.44Å; T76-H211 HydrophobicContact CG2-CB 4.05Å; T76-K242 PolarHBondContact O-NZ 3.24Å
77G89.4Confident93.8Very high40 Ų4050 Ų5041%0.41229%0.29SS..THydrogen-bonded Turntrans83.114.5-17700000114A73 K74 Q75A73-G77 PolarHBondContact O-N 2.69Å; K74-G77 PolarHBondContact O-N 2.98Å; Q75-G77 VanDerWaalsContact C-N 3.26Å; Q75-G77 PolarHBondContact O-N 2.81Å
78D91Very high93.8Very high2 Ų246.6 Ų46.61%0.01127%0.272CS..  trans-91.6-6.5-179.9-61.6-52.7000113.5A73 T76 S80 V81 L82 A204 N207 V208 K242A73-D78 PolarHBondContact O-N 3.26Å; T76-D78 VanDerWaalsContact CB-OD2 3.23Å; T76-D78 WeakPolarHBondContact CB-OD2 3.31Å; T76-D78 PolarHBondContact OG1-N 3.41Å; T76-D78 PolarHBondContact OG1-OD2 3.28Å; D78-S80 PolarHBondContact O-N 3.36Å; D78-V81 PolarHBondContact O-N 3.16Å; D78-L82 HydrophobicContact CB-CD1 4.11Å; D78-L82 HydrophobicContact CB-CG 4.32Å; D78-L82 WeakPolarHBondContact O-CG 3.44Å; D78-L82 PolarHBondContact O-N 2.73Å; D78-A204 HydrophobicContact CB-CB 4.44Å; D78-N207 PolarHBondContact OD2-ND2 3.27Å; D78-V208 HydrophobicContact CB-CG2 4.13Å; D78-K242 WeakPolarHBondContact OD1-CD 3.47Å; D78-K242 WeakPolarHBondContact OD1-CE 3.44Å; D78-K242 IonicContact OD1-NZ 3.15Å; D78-K242 PolarHBondContact OD1-NZ 3.46Å; D78-K242 IonicContact OD2-NZ 3.27Å; D78-K242 PolarHBondContact OD2-NZ 3.31Å
79L91.8Very high93.8Very high73 Ų7343.3 Ų43.338%0.38226%0.255SS..THydrogen-bonded Turntrans-54.2-29.4179-174.466.1000113.7A73 K74 V81 I87A73-L79 HydrophobicContact CB-CB 4.33Å; A73-L79 HydrophobicContact CB-CD1 4.38Å; A73-L79 PolarHBondContact O-N 3.42Å; K74-L79 HydrophobicContact CB-CD2 4.47Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-I87 HydrophobicContact CD1-CD1 3.9Å
80S89.7Confident93.9Very high77 Ų7743.3 Ų43.354%0.53826%0.255SS..THydrogen-bonded Turntrans-81.2-11.7179.278.30000114.5D78D78-S80 PolarHBondContact O-N 3.36Å
81V89Confident93.9Very high61 Ų6138.9 Ų38.937%0.3724%0.236SC..THydrogen-bonded Turntrans-103.5-38.1-179.9-1780000110D78 L79 A204 R243D78-V81 PolarHBondContact O-N 3.16Å; L79-V81 VanDerWaalsContact C-N 3.32Å; V81-A204 HydrophobicContact CB-CB 4.4Å; V81-A204 HydrophobicContact CG1-CB 3.99Å; V81-R243 HydrophobicContact CG2-CG 4.28Å
82L92.8Very high94Very high13 Ų1337.2 Ų37.27%0.06822%0.219CC..  trans-70.9138.6179.7-66.7172.8000112.7A73 D78 D86 I87 I90 A204 M205 V208A73-L82 HydrophobicContact CB-CD1 4.15Å; D78-L82 HydrophobicContact CB-CD1 4.11Å; D78-L82 HydrophobicContact CB-CG 4.32Å; D78-L82 WeakPolarHBondContact O-CG 3.44Å; D78-L82 PolarHBondContact O-N 2.73Å; L82-D86 HydrophobicContact CB-CB 4.39Å; L82-D86 HydrophobicContact CD2-CB 3.89Å; L82-I87 HydrophobicContact CB-CG1 4.34Å; L82-I90 HydrophobicContact CD1-CD1 4.49Å; L82-A204 HydrophobicContact CD2-CB 3.63Å; L82-A204 HydrophobicContact CG-CB 4.12Å; L82-M205 HydrophobicContact CD2-CB 4.46Å; L82-M205 HydrophobicContact CD2-CG 3.59Å; L82-V208 HydrophobicContact CD1-CG2 3.74Å
83S93.4Very high94Very high46 Ų4636.9 Ų36.932%0.32222%0.218SC..  trans-86.1172.7172.6760000112T85 D86 I87S83-T85 VanDerWaalsContact C-N 3.28Å; S83-T85 PolarHBondContact O-N 3.39Å; S83-T85 PolarHBondContact OG-N 3.37Å; S83-T85 PolarHBondContact OG-OG1 2.72Å; S83-D86 VanDerWaalsContact CB-OD2 3.29Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact N-OD2 3.15Å; S83-D86 PolarHBondContact O-N 3.19Å; S83-D86 PolarHBondContact OG-N 3.17Å; S83-D86 PolarHBondContact OG-OD1 3.16Å; S83-D86 PolarHBondContact OG-OD2 2.83Å; S83-I87 WeakPolarHBondContact O-CG1 3.34Å; S83-I87 PolarHBondContact O-N 2.92Å
84A94.1Very high94.1Very high75 Ų7537.9 Ų37.962%0.6222%0.221SC*.Hα-helixtrans-66.9-30.2176.400000112.7N88A84-N88 PolarHBondContact O-N 3.46Å; A84-N88 PolarHBondContact O-ND2 3.44Å; A84-N88 PolarHBondContact O-OD1 3.48Å
85T95.6Very high94.2Very high23 Ų2332.6 Ų32.614%0.14120%0.199CC..Hα-helixtrans-69.3-43.4177.249.20000110.6Q35 E39 S83 I87 N88 L89Q35-T85 HydrophobicContact CB-CG2 3.6Å; Q35-T85 HydrophobicContact CG-CG2 4.41Å; E39-T85 PolarHBondContact OE2-OG1 3.4Å; S83-T85 VanDerWaalsContact C-N 3.28Å; S83-T85 PolarHBondContact O-N 3.39Å; S83-T85 PolarHBondContact OG-N 3.37Å; S83-T85 PolarHBondContact OG-OG1 2.72Å; T85-I87 PolarHBondContact O-N 3.2Å; T85-N88 PolarHBondContact O-N 3.35Å; T85-L89 PolarHBondContact O-N 3.45Å
86D96Very high94.3Very high21 Ų2126 Ų2611%0.11217%0.169CC..Hα-helixtrans-59.6-46.9176.2-53.7-34.6000112L82 S83 N88 L89 I90 M205L82-D86 HydrophobicContact CB-CB 4.39Å; L82-D86 HydrophobicContact CD2-CB 3.89Å; S83-D86 VanDerWaalsContact CB-OD2 3.29Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact N-OD2 3.15Å; S83-D86 PolarHBondContact O-N 3.19Å; S83-D86 PolarHBondContact OG-N 3.17Å; S83-D86 PolarHBondContact OG-OD1 3.16Å; S83-D86 PolarHBondContact OG-OD2 2.83Å; D86-N88 VanDerWaalsContact C-N 3.27Å; D86-N88 PolarHBondContact O-N 3.34Å; D86-L89 PolarHBondContact O-N 3.49Å; D86-I90 WeakPolarHBondContact O-CG1 3.27Å; D86-I90 PolarHBondContact O-N 3.35Å; D86-M205 HydrophobicContact CB-CE 4.44Å; D86-M205 HydrophobicContact CB-CG 3.85Å; D86-M205 HydrophobicContact CB-SD 3.65Å; D86-M205 WeakPolarHBondContact OD1-CE 3.42Å
87I96.7Very high94.4Very high12 Ų1226.5 Ų26.56%0.06217%0.17CC..Hα-helixtrans-60.8-39.8178-67.1168.1000110.8I66 I69 K70 L79 L82 S83 T85 A91I66-I87 HydrophobicContact CG2-CG2 4.02Å; I69-I87 HydrophobicContact CG2-CG2 4.36Å; K70-I87 HydrophobicContact CG-CD1 4.3Å; K70-I87 HydrophobicContact CG-CG2 3.93Å; L79-I87 HydrophobicContact CD1-CD1 3.9Å; L82-I87 HydrophobicContact CB-CG1 4.34Å; S83-I87 WeakPolarHBondContact O-CG1 3.34Å; S83-I87 PolarHBondContact O-N 2.92Å; T85-I87 PolarHBondContact O-N 3.2Å; I87-A91 VanDerWaalsContact O-CB 3.31Å; I87-A91 WeakPolarHBondContact O-CB 3.48Å; I87-A91 PolarHBondContact O-N 2.83Å
88N97Very high94.6Very high26 Ų2629.6 Ų29.614%0.13917%0.172CC..Hα-helixtrans-67.9-39.9178.5-68.6-14.8000111.3I33 P61 A84 T85 D86 I90 A91 L92I33-N88 HydrophobicContact CD1-CB 3.65Å; I33-N88 VanDerWaalsContact CD1-O 3.23Å; I33-N88 WeakPolarHBondContact CD1-O 3.41Å; P61-N88 HydrophobicContact CG-CB 3.98Å; P61-N88 WeakPolarHBondContact CG-O 3.47Å; A84-N88 PolarHBondContact O-N 3.46Å; A84-N88 PolarHBondContact O-ND2 3.44Å; A84-N88 PolarHBondContact O-OD1 3.48Å; T85-N88 PolarHBondContact O-N 3.35Å; D86-N88 VanDerWaalsContact C-N 3.27Å; D86-N88 PolarHBondContact O-N 3.34Å; N88-I90 PolarHBondContact O-N 3.41Å; N88-A91 PolarHBondContact O-N 3.32Å; N88-L92 PolarHBondContact O-N 2.86Å
89L97Very high94.7Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-60.8-46.6176.9-76.9170000111.2V11 D13 I33 V36 T85 D86 A91 L92 T93V11-L89 HydrophobicContact CG1-CD2 3.73Å; D13-L89 HydrophobicContact CB-CD1 4.16Å; I33-L89 HydrophobicContact CB-CD2 4.11Å; I33-L89 VanDerWaalsContact CD1-CA 3.5Å; I33-L89 HydrophobicContact CD1-CB 4.34Å; I33-L89 HydrophobicContact CD1-CD2 3.79Å; I33-L89 HydrophobicContact CD1-CG 4Å; I33-L89 VanDerWaalsContact CD1-N 3.31Å; I33-L89 HydrophobicContact CG1-CD2 3.77Å; I33-L89 HydrophobicContact CG1-CG 4.45Å; V36-L89 HydrophobicContact CG2-CD1 3.74Å; V36-L89 HydrophobicContact CG2-CD2 3.96Å; V36-L89 HydrophobicContact CG2-CG 4.04Å; T85-L89 PolarHBondContact O-N 3.45Å; D86-L89 PolarHBondContact O-N 3.49Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 2.9Å; L89-T93 WeakPolarHBondContact O-CG2 3.45Å; L89-T93 PolarHBondContact O-N 3.47Å
90I97.2Very high94.7Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-63.8-41.1176.4-59.3168.2000110.2I69 L82 D86 N88 L92 T93 Y94 M205 V208 L209I69-I90 HydrophobicContact CB-CG2 4.37Å; I69-I90 HydrophobicContact CD1-CG2 3.7Å; I69-I90 HydrophobicContact CG1-CG2 3.87Å; I69-I90 HydrophobicContact CG2-CB 3.87Å; I69-I90 HydrophobicContact CG2-CG2 3.54Å; L82-I90 HydrophobicContact CD1-CD1 4.49Å; D86-I90 WeakPolarHBondContact O-CG1 3.27Å; D86-I90 PolarHBondContact O-N 3.35Å; N88-I90 PolarHBondContact O-N 3.41Å; I90-L92 VanDerWaalsContact C-N 3.31Å; I90-L92 PolarHBondContact O-N 3.16Å; I90-T93 WeakPolarHBondContact CA-OG1 3.15Å; I90-T93 PolarHBondContact O-N 2.97Å; I90-T93 PolarHBondContact O-OG1 3.46Å; I90-Y94 PolarHBondContact O-N 3.29Å; I90-M205 HydrophobicContact CD1-CB 4.23Å; I90-M205 HydrophobicContact CD1-CG 4.07Å; I90-V208 HydrophobicContact CD1-CB 4.02Å; I90-V208 HydrophobicContact CD1-CG1 3.97Å; I90-V208 HydrophobicContact CG2-CG1 4.2Å; I90-L209 HydrophobicContact CB-CD2 4.48Å; I90-L209 HydrophobicContact CG1-CD2 4.23Å; I90-L209 HydrophobicContact CG1-CG 4.17Å; I90-L209 HydrophobicContact CG2-CD2 3.98Å; I90-L209 HydrophobicContact CG2-CG 4.4Å
91A97.4Very high94.6Very high0 Ų038.1 Ų38.10%019%0.193CC..Hα-helixtrans-61.9-37.9176.400000112.7P61 I66 I69 I87 N88 L89 Y94 E95P61-A91 HydrophobicContact CB-CB 3.77Å; P61-A91 HydrophobicContact CG-CB 4.01Å; I66-A91 HydrophobicContact CB-CB 4.36Å; I66-A91 HydrophobicContact CG1-CB 3.7Å; I69-A91 HydrophobicContact CG1-CB 4.32Å; I87-A91 VanDerWaalsContact O-CB 3.31Å; I87-A91 WeakPolarHBondContact O-CB 3.48Å; I87-A91 PolarHBondContact O-N 2.83Å; N88-A91 PolarHBondContact O-N 3.32Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 2.88Å; A91-Y94 PolarHBondContact O-N 3.43Å; A91-E95 PolarHBondContact O-N 3.41Å
92L97.1Very high94.7Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-66.4-41.8174.9-179.562.6000111.2V11 I33 Q59 P61 N88 L89 I90 Y94 E95 L96V11-L92 HydrophobicContact CG1-CD2 4.05Å; V11-L92 HydrophobicContact CG1-CG 4.48Å; V11-L92 HydrophobicContact CG2-CD2 4.44Å; V11-L92 HydrophobicContact CG2-CG 4.28Å; I33-L92 HydrophobicContact CD1-CB 4.09Å; I33-L92 HydrophobicContact CD1-CD2 4.12Å; I33-L92 HydrophobicContact CG1-CD2 3.68Å; Q59-L92 HydrophobicContact CB-CD1 3.85Å; Q59-L92 HydrophobicContact CB-CD2 4.3Å; P61-L92 HydrophobicContact CB-CB 4.21Å; N88-L92 PolarHBondContact O-N 2.86Å; L89-L92 PolarHBondContact O-N 2.9Å; I90-L92 VanDerWaalsContact C-N 3.31Å; I90-L92 PolarHBondContact O-N 3.16Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 2.99Å; L92-E95 PolarHBondContact O-N 2.87Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CG-CD1 4.3Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 2.95Å
93T96.4Very high94.6Very high2 Ų242.3 Ų42.31%0.01222%0.216CC..Hα-helixtrans-60.8-41.1175.461.20000111.9V11 L89 I90 L96 H97 C198 L209 L214V11-T93 HydrophobicContact CB-CG2 3.38Å; V11-T93 HydrophobicContact CG1-CG2 3.87Å; V11-T93 HydrophobicContact CG2-CG2 3.41Å; V11-T93 VanDerWaalsContact CG2-CG2 3.41Å; L89-T93 WeakPolarHBondContact O-CG2 3.45Å; L89-T93 PolarHBondContact O-N 3.47Å; I90-T93 WeakPolarHBondContact CA-OG1 3.15Å; I90-T93 PolarHBondContact O-N 2.97Å; I90-T93 PolarHBondContact O-OG1 3.46Å; T93-L96 PolarHBondContact O-N 2.91Å; T93-H97 WeakPolarHBondContact O-CB 3.24Å; T93-H97 PolarHBondContact O-N 2.9Å; T93-C198 HydrophobicContact CG2-CB 3.56Å; T93-L209 HydrophobicContact CG2-CD2 4.45Å; T93-L209 WeakPolarHBondContact OG1-CD2 3.36Å; T93-L214 WeakPolarHBondContact OG1-CD1 3.43Å
94Y96.7Very high94.5Very high21 Ų2140.7 Ų40.78%0.08220%0.204CC..Hα-helixtrans-63.2-42.7176.7-178.6-90.4000112I68 I69 I90 A91 L92 H97 K98 P104I68-Y94 HydrophobicContact CD1-CE1 3.99Å; I68-Y94 HydrophobicContact CG2-CE2 4.36Å; I69-Y94 HydrophobicContact CD1-CD2 4.15Å; I69-Y94 HydrophobicContact CD1-CG 4.28Å; I90-Y94 PolarHBondContact O-N 3.29Å; A91-Y94 PolarHBondContact O-N 3.43Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 2.99Å; Y94-H97 PolarHBondContact O-N 3.02Å; Y94-K98 WeakPolarHBondContact O-CB 3.42Å; Y94-K98 PolarHBondContact O-N 2.93Å; Y94-P104 HydrophobicContact CD2-CG 3.6Å; Y94-P104 HydrophobicContact CE2-CG 3.28Å
95E95.7Very high94.3Very high45 Ų4546 Ų4621%0.2121%0.213CC..Hα-helixtrans-64.4-45178-171.2-179.6143.200112P61 E62 A91 L92 K98 R99P61-E95 WeakPolarHBondContact CA-OE2 3.25Å; E62-E95 PolarHBondContact N-OE2 2.8Å; A91-E95 PolarHBondContact O-N 3.41Å; L92-E95 PolarHBondContact O-N 2.87Å; E95-K98 PolarHBondContact O-N 2.92Å; E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 PolarHBondContact O-N 3.43Å
96L94.7Very high94.1Very high4 Ų450 Ų502%0.02123%0.233CC..Hα-helixtrans-64.4-41.9175.7-67174.2000111.4V11 Y31 L92 T93 K98 R99 Y100 V196V11-L96 HydrophobicContact CG2-CD1 3.51Å; Y31-L96 HydrophobicContact CD1-CD1 4.12Å; Y31-L96 HydrophobicContact CD1-CD2 4.45Å; Y31-L96 HydrophobicContact CD2-CD1 3.75Å; Y31-L96 HydrophobicContact CE1-CD1 4.46Å; Y31-L96 HydrophobicContact CE1-CD2 4.13Å; Y31-L96 HydrophobicContact CE2-CD1 4.14Å; Y31-L96 HydrophobicContact CG-CD1 3.75Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CG-CD1 4.3Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 2.95Å; T93-L96 PolarHBondContact O-N 2.91Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 3.02Å; L96-R99 PolarHBondContact O-N 3.47Å; L96-R99 VanDerWaalsContact O-N 3.16Å; L96-Y100 HydrophobicContact CD2-CE2 3.96Å; L96-Y100 VanDerWaalsContact O-CD2 3.27Å; L96-Y100 WeakPolarHBondContact O-CD2 3.46Å; L96-Y100 PolarHBondContact O-N 2.94Å; L96-V196 HydrophobicContact CB-CG1 3.74Å
97H94.4Very high93.8Very high16 Ų1652.8 Ų52.87%0.07424%0.244CC..Hα-helixtrans-61.3-46.3176.5-174.6-69.9000110.5T93 Y94 R99 Y100 I101 G102 V196 L214T93-H97 WeakPolarHBondContact O-CB 3.24Å; T93-H97 PolarHBondContact O-N 2.9Å; Y94-H97 PolarHBondContact O-N 3.02Å; H97-R99 PolarHBondContact O-N 3.48Å; H97-Y100 PolarHBondContact O-N 3.36Å; H97-I101 WeakPolarHBondContact O-CB 3.34Å; H97-I101 PolarHBondContact O-N 2.98Å; H97-G102 CarbonylContact C-O 3.56Å; H97-G102 PolarHBondContact CE1-O 3.28Å; H97-G102 PolarHBondContact ND1-O 2.79Å; H97-G102 PolarHBondContact O-N 2.96Å; H97-G102 VanDerWaalsContact O-O 3.13Å; H97-V196 HydrophobicContact CB-CB 4.32Å; H97-V196 HydrophobicContact CB-CG1 4.18Å; H97-L214 HydrophobicContact CB-CD2 3.5Å; H97-L214 VanDerWaalsContact CB-CD2 3.5Å
98K93.8Very high93.4Very high104 Ų10459.6 Ų59.645%0.45228%0.276SS..Hα-helixtrans-58-36.3175.4-175.1167175.1152.10112.7Y94 E95 L96 G102 E103Y94-K98 WeakPolarHBondContact O-CB 3.42Å; Y94-K98 PolarHBondContact O-N 2.93Å; E95-K98 PolarHBondContact O-N 2.92Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 3.02Å; K98-G102 VanDerWaalsContact CA-O 3.28Å; K98-G102 WeakPolarHBondContact CA-O 3.46Å; K98-E103 HydrophobicContact CD-CG 4.35Å; K98-E103 WeakPolarHBondContact CE-OE1 3.3Å; K98-E103 HydrophobicContact CG-CG 4.37Å; K98-E103 IonicContact NZ-OE1 2.78Å; K98-E103 PolarHBondContact NZ-OE1 3.07Å
99R92.5Very high93Very high174 Ų17460.2 Ų60.266%0.65728%0.28SS*.Hα-helixtrans-75.7-41.7-178.1-176.2175.3179.9168.2-0.7113.9E95 L96 H97E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 PolarHBondContact O-N 3.43Å; L96-R99 PolarHBondContact O-N 3.47Å; L96-R99 VanDerWaalsContact O-N 3.16Å; H97-R99 PolarHBondContact O-N 3.48Å
100Y90.8Very high92.5Very high76 Ų7663.8 Ų63.830%0.29830%0.296SS..Hα-helixtrans-103.3-29-170.2-67.9-73.8000114.5H9 L96 H97 V196H9-Y100 AromaticContact CD2-CD2 3.58Å; H9-Y100 AromaticContact CD2-CE2 3.81Å; H9-Y100 AromaticContact CD2-CG 3.76Å; H9-Y100 AromaticContact CE1-CE1 3.7Å; H9-Y100 AromaticContact CE1-CE2 3.55Å; H9-Y100 AromaticContact CE1-CZ 3.3Å; H9-Y100 PolarHBondContact CE1-OH 2.85Å; H9-Y100 AromaticContact ND1-CE2 3.85Å; H9-Y100 AromaticContact NE2-CD1 3.46Å; H9-Y100 WeakPolarHBondContact NE2-CD1 3.41Å; H9-Y100 AromaticContact NE2-CD2 3.59Å; H9-Y100 AromaticContact NE2-CE1 3.33Å; H9-Y100 VanDerWaalsContact NE2-CE1 3.33Å; H9-Y100 WeakPolarHBondContact NE2-CE1 3.46Å; H9-Y100 AromaticContact NE2-CE2 3.49Å; H9-Y100 WeakPolarHBondContact NE2-CE2 3.39Å; H9-Y100 AromaticContact NE2-CG 3.58Å; H9-Y100 AromaticContact NE2-CZ 3.33Å; H9-Y100 VanDerWaalsContact NE2-CZ 3.33Å; L96-Y100 HydrophobicContact CD2-CE2 3.96Å; L96-Y100 VanDerWaalsContact O-CD2 3.27Å; L96-Y100 WeakPolarHBondContact O-CD2 3.46Å; L96-Y100 PolarHBondContact O-N 2.94Å; H97-Y100 PolarHBondContact O-N 3.36Å; Y100-V196 HydrophobicContact CD2-CG2 4.47Å
101I89.4Confident91.9Very high81 Ų8169.3 Ų69.342%0.41533%0.332SS..THydrogen-bonded Turntrans-111.3-46.6-177.7-59.4168.4000110H97 N194 V196H97-I101 WeakPolarHBondContact O-CB 3.34Å; H97-I101 PolarHBondContact O-N 2.98Å; I101-N194 VanDerWaalsContact CD1-O 3.27Å; I101-N194 WeakPolarHBondContact CD1-O 3.33Å; I101-N194 VanDerWaalsContact CG1-O 3.3Å; I101-N194 WeakPolarHBondContact CG1-O 3.49Å; I101-V196 HydrophobicContact CD1-CB 3.87Å; I101-V196 HydrophobicContact CD1-CG2 3.75Å; I101-V196 HydrophobicContact CG1-CG2 4.15Å
102G91Very high91.3Very high27 Ų2771.8 Ų71.828%0.27835%0.345SS..  trans129.7-172.7-174.400000112H97 K98H97-G102 CarbonylContact C-O 3.56Å; H97-G102 PolarHBondContact CE1-O 3.28Å; H97-G102 PolarHBondContact ND1-O 2.79Å; H97-G102 PolarHBondContact O-N 2.96Å; H97-G102 VanDerWaalsContact O-O 3.13Å; K98-G102 VanDerWaalsContact CA-O 3.28Å; K98-G102 WeakPolarHBondContact CA-O 3.46Å
103E90.3Very high90.6Very high135 Ų13574 Ų7463%0.63136%0.359SS*.SBendtrans-66.5126.1-179.3-63.2-164.5151.400111.2K98K98-E103 HydrophobicContact CD-CG 4.35Å; K98-E103 WeakPolarHBondContact CE-OE1 3.3Å; K98-E103 HydrophobicContact CG-CG 4.37Å; K98-E103 IonicContact NZ-OE1 2.78Å; K98-E103 PolarHBondContact NZ-OE1 3.07Å
104P90.2Very high90Very high13 Ų1377.6 Ų77.68%0.08439%0.385CS..  trans-72.3146.3-177.430.6-34.9000111Y94 L106 A212 L214Y94-P104 HydrophobicContact CD2-CG 3.6Å; Y94-P104 HydrophobicContact CE2-CG 3.28Å; P104-L106 PolarHBondContact O-N 2.93Å; P104-A212 WeakPolarHBondContact CB-O 3.39Å; P104-L214 HydrophobicContact CB-CD2 4.04Å; P104-L214 HydrophobicContact CG-CD2 4.19Å
105K91.2Very high89.3Confident186 Ų18680.9 Ų80.981%0.80940%0.403SS*.  trans-81.2109.5177.4-66.6179.1-177.7174.60109.5K107 G213K105-K107 PolarHBondContact O-N 2.92Å; K105-G213 WeakPolarHBondContact O-CA 3.3Å
106L91.1Very high88.8Confident108 Ų10878.8 Ų78.857%0.56539%0.394SS*.PPolyproline II helixtrans-64.2133.3177.1-59178.9000110.7I72 P104I72-L106 HydrophobicContact CD1-CD2 3.59Å; I72-L106 HydrophobicContact CG1-CD2 4.49Å; P104-L106 PolarHBondContact O-N 2.93Å
107K90.2Very high87.7Confident78 Ų7878.7 Ų78.734%0.33939%0.394SS..PPolyproline II helixtrans-93.9142.7173.8-56.2-174.2-174.6-179.40110K105 F210 H211K105-K107 PolarHBondContact O-N 2.92Å; K107-F210 HydrophobicContact CD-CD1 4.06Å; K107-F210 HydrophobicContact CD-CE1 3.7Å; K107-F210 HydrophobicContact CD-CZ 3.99Å; K107-F210 WeakPolarHBondContact CD-O 3.1Å; K107-F210 VanDerWaalsContact NZ-CZ 3.34Å; K107-H211 PolarHBondContact N-O 3.25Å
108E87.7Confident86.6Confident156 Ų15681.1 Ų81.173%0.72941%0.412SS*.PPolyproline II helixtrans-62.3138178.8-65.3-173.5172.200111.9H211E108-H211 PolarHBondContact O-CE1 3.36Å; E108-H211 VanDerWaalsContact O-CE1 3.23Å; E108-H211 PolarHBondContact O-ND1 3.49Å
109V88.3Confident85.5Confident38 Ų3879.9 Ų79.923%0.2341%0.41CS..  trans-96.2116175.9-1770000109Q75 T76 H211Q75-V109 HydrophobicContact CB-CB 4.5Å; Q75-V109 HydrophobicContact CB-CG2 4.17Å; T76-V109 HydrophobicContact CG2-CG1 4.23Å; T76-V109 HydrophobicContact CG2-CG2 3.84Å; V109-H211 HydrophobicContact CG2-CB 4.05Å
110K87.1Confident84.2Confident76 Ų7672.1 Ų72.133%0.3338%0.383SS..PPolyproline II helixtrans-85.9128.4172.1-70.9172.1176.2147.30109.6D267 Q269K110-D267 PolarHBondContact NZ-O 2.7Å; K110-Q269 HydrophobicContact CD-CB 4.38Å; K110-Q269 HydrophobicContact CD-CG 3.44Å; K110-Q269 VanDerWaalsContact CD-CG 3.44Å; K110-Q269 VanDerWaalsContact NZ-CG 3.29Å
111P83.6Confident82.7Confident116 Ų11676.1 Ų76.175%0.75340%0.398SS*.PPolyproline II helixtrans-66145.4-178.327.2-34000110.7
112L84.4Confident80.9Confident52 Ų5277.4 Ų77.427%0.27241%0.413SS..PPolyproline II helixtrans-62.5134.1174.2-8676.5000109.8S114 L231 P240 K242 L270L112-S114 PolarHBondContact O-N 3.33Å; L112-L231 HydrophobicContact CD2-CD1 3.95Å; L112-P240 HydrophobicContact CB-CG 4.34Å; L112-P240 HydrophobicContact CD2-CB 4.12Å; L112-P240 HydrophobicContact CD2-CG 4.09Å; L112-K242 HydrophobicContact CD2-CG 4.31Å; L112-L270 HydrophobicContact CD1-CD1 3.87Å; L112-L270 HydrophobicContact CG-CD1 3.98Å
113P84Confident78.9Confident46 Ų4680.2 Ų80.230%0.29942%0.419SS..PPolyproline II helixtrans-62.7131.9174.926.8-34.7000110N115 L116 L119 P240 F272P113-N115 VanDerWaalsContact C-N 3.29Å; P113-N115 PolarHBondContact O-N 2.97Å; P113-L116 HydrophobicContact CG-CD2 3.53Å; P113-L116 HydrophobicContact CG-CG 4.28Å; P113-L119 HydrophobicContact CG-CD1 4.4Å; P113-P240 VanDerWaalsContact O-CD 3.32Å; P113-P240 WeakPolarHBondContact O-CD 3.24Å; P113-P240 VanDerWaalsContact O-CG 3.29Å; P113-P240 WeakPolarHBondContact O-CG 3.31Å; P113-F272 HydrophobicContact CG-CE2 3.84Å; P113-F272 HydrophobicContact CG-CZ 3.95Å
114S82.2Confident76.5Confident78 Ų7878.2 Ų78.255%0.54541%0.412SS..SBendtrans-69.9-27.8-179.555.70000113L112 K239L112-S114 PolarHBondContact O-N 3.33Å; S114-K239 WeakPolarHBondContact O-CA 3.42Å; S114-K239 WeakPolarHBondContact O-CG 3.45Å
115N83.4Confident74Confident89 Ų8982.8 Ų82.848%0.47644%0.442SS..  trans-120.886.6-177.8-66.9-41.2000110.1P113 G117 S118P113-N115 VanDerWaalsContact C-N 3.29Å; P113-N115 PolarHBondContact O-N 2.97Å; N115-G117 PolarHBondContact O-N 2.78Å; N115-S118 PolarHBondContact O-OG 3.4Å
116L83.8Confident71.5Confident1 Ų183.3 Ų83.31%0.00544%0.444CS..Hα-helixtrans-73.2-18.1173-78.2179.9000112.8P113 S118 L119 A120 W233 F238 P240 I260 F272 F274P113-L116 HydrophobicContact CG-CD2 3.53Å; P113-L116 HydrophobicContact CG-CG 4.28Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 2.89Å; L116-L119 HydrophobicContact CD2-CD1 3.9Å; L116-L119 WeakPolarHBondContact O-CB 3.37Å; L116-L119 PolarHBondContact O-N 3.02Å; L116-A120 PolarHBondContact O-N 3.17Å; L116-W233 HydrophobicContact CB-CE3 4.41Å; L116-W233 HydrophobicContact CD1-CB 3.84Å; L116-F238 PolarHBondContact N-O 3.39Å; L116-P240 HydrophobicContact CD1-CB 3.56Å; L116-P240 HydrophobicContact CD1-CG 3.83Å; L116-P240 HydrophobicContact CG-CB 4.4Å; L116-P240 HydrophobicContact CG-CG 4.13Å; L116-I260 HydrophobicContact CD1-CD1 4.45Å; L116-F272 HydrophobicContact CD1-CD1 4.28Å; L116-F272 HydrophobicContact CD1-CE1 4.1Å; L116-F272 HydrophobicContact CD2-CD1 3.85Å; L116-F272 HydrophobicContact CD2-CD2 3.91Å; L116-F272 HydrophobicContact CD2-CE1 3.76Å; L116-F272 HydrophobicContact CD2-CE2 3.83Å; L116-F272 HydrophobicContact CD2-CG 3.94Å; L116-F272 HydrophobicContact CD2-CZ 3.76Å; L116-F274 HydrophobicContact CB-CZ 4.09Å; L116-F274 HydrophobicContact CD2-CZ 4.17Å
117G72.3Confident69Low2 Ų283 Ų832%0.02145%0.451CS..Hα-helixtrans-67.3-25.9-176.300000114.6N115 R121 F238N115-G117 PolarHBondContact O-N 2.78Å; G117-R121 WeakPolarHBondContact O-CG 3.3Å; G117-R121 PolarHBondContact O-N 3.39Å; G117-F238 VanDerWaalsContact CA-CD1 3.41Å
118S70.7Confident66.3Low67 Ų6786.6 Ų86.647%0.46947%0.474SS..Hα-helixtrans-68.4-47.7170.945.40000110.3N115 L116 A120 R121 C122N115-S118 PolarHBondContact O-OG 3.4Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 2.89Å; S118-A120 VanDerWaalsContact C-N 3.31Å; S118-A120 PolarHBondContact O-N 3.19Å; S118-R121 PolarHBondContact O-N 3.04Å; S118-R121 VanDerWaalsContact O-N 3.11Å; S118-C122 PolarHBondContact O-N 3.04Å; S118-C122 PolarHBondContact O-SG 2.88Å
119L71.7Confident63.9Low78 Ų7885.6 Ų85.641%0.40848%0.479SS..Hα-helixtrans-58.2-43.6175.6-65.9166.2000111.4P113 L116 R121 C122 F272 F274P113-L119 HydrophobicContact CG-CD1 4.4Å; L116-L119 HydrophobicContact CD2-CD1 3.9Å; L116-L119 WeakPolarHBondContact O-CB 3.37Å; L116-L119 PolarHBondContact O-N 3.02Å; L119-R121 VanDerWaalsContact C-N 3.27Å; L119-R121 PolarHBondContact O-N 2.85Å; L119-C122 PolarHBondContact O-N 2.69Å; L119-F272 HydrophobicContact CD1-CD2 4.46Å; L119-F274 HydrophobicContact CB-CE2 3.78Å; L119-F274 HydrophobicContact CB-CZ 4.24Å
120A64.7Low61.4Low11 Ų1192.8 Ų92.89%0.09151%0.509CS..Hα-helixtrans-63-28.8177.600000114.2L116 S118 W233 F274L116-A120 PolarHBondContact O-N 3.17Å; S118-A120 VanDerWaalsContact C-N 3.31Å; S118-A120 PolarHBondContact O-N 3.19Å; A120-W233 HydrophobicContact CB-CH2 3.76Å; A120-W233 HydrophobicContact CB-CZ2 4.38Å; A120-W233 HydrophobicContact CB-CZ3 4.07Å; A120-F274 HydrophobicContact CB-CD1 3.57Å; A120-F274 HydrophobicContact CB-CE1 3.48Å; A120-F274 VanDerWaalsContact CB-CE1 3.48Å; A120-F274 HydrophobicContact CB-CG 4.22Å; A120-F274 HydrophobicContact CB-CZ 4.08Å
121R60.1Low58.6Low161 Ų16195.2 Ų95.261%0.60854%0.535SS*.Hα-helixtrans-90.3-27.9179.1-71.4-174.8-144-1737.5112.9G117 S118 L119 E123 L124 F238G117-R121 WeakPolarHBondContact O-CG 3.3Å; G117-R121 PolarHBondContact O-N 3.39Å; S118-R121 PolarHBondContact O-N 3.04Å; S118-R121 VanDerWaalsContact O-N 3.11Å; L119-R121 VanDerWaalsContact C-N 3.27Å; L119-R121 PolarHBondContact O-N 2.85Å; R121-E123 PolarHBondContact O-N 2.95Å; R121-L124 WeakPolarHBondContact O-CD1 3.42Å; R121-L124 PolarHBondContact O-N 3.39Å; R121-F238 VanDerWaalsContact NH2-CE2 3.31Å
122C50.4Low56.3Low108 Ų10897.2 Ų97.273%0.7354%0.538SS*.Hα-helixtrans-68.8-15.3-177.8-73.30000113.6S118 L119 L124S118-C122 PolarHBondContact O-N 3.04Å; S118-C122 PolarHBondContact O-SG 2.88Å; L119-C122 PolarHBondContact O-N 2.69Å; C122-L124 VanDerWaalsContact C-N 3.31Å
123E50.6Low53.7Low85 Ų85100.6 Ų100.640%0.39756%0.563SS.*THydrogen-bonded Turntrans-82.9-1.3175-68.7-175.7-173.700114.4R121R121-E123 PolarHBondContact O-N 2.95Å
124L39.9Very low51.6Low94 Ų94103.1 Ų103.149%0.49258%0.581SS.*SBendtrans-75.2125.2171.6-82.9118.8000110.3R121 C122 K126R121-L124 WeakPolarHBondContact O-CD1 3.42Å; R121-L124 PolarHBondContact O-N 3.39Å; C122-L124 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.11Å; L124-K126 VanDerWaalsContact O-N 3.17Å
125P37.3Very low49.3Very low109 Ų109107 Ų10771%0.70859%0.594SS**  trans-61.1122.2168.924.7-30.3000108.4S127P125-S127 PolarHBondContact O-N 3.18Å
126K37.6Very low46.9Very low197 Ų197110.3 Ų110.386%0.85761%0.612SS**  trans-70.294.3169.4-63.8177.7-176.6175.20107.3L124L124-K126 PolarHBondContact O-N 3.11Å; L124-K126 VanDerWaalsContact O-N 3.17Å
127S39Very low44.7Very low102 Ų102116.8 Ų116.871%0.71365%0.651SS**  trans-90107160.357.50000107.5P125 T129P125-S127 PolarHBondContact O-N 3.18Å; S127-T129 PolarHBondContact O-N 3.28Å
128D33.5Very low42.8Very low153 Ų153122.8 Ų122.882%0.81869%0.691SS**  trans-64.7111.6168.9-61.1-43.1000108.6
129T37.1Very low40.9Very low135 Ų135126.8 Ų126.883%0.82871%0.707SS**  trans-152.4132.2157.1-25.30000110.1S127S127-T129 PolarHBondContact O-N 3.28Å
130E36.6Very low39Very low188 Ų188131.8 Ų131.888%0.87973%0.729SS**  trans-68.2154.8-162.4-60.5171.4147.400114.1
131C28.6Very low37.5Very low128 Ų128137.4 Ų137.487%0.86576%0.762SS**  trans-65.5135176.6-61.10000113
132I33.5Very low36Very low158 Ų158138.9 Ų138.981%0.8177%0.773SS**  trans-140.2122.8146.9-52.2176.6000107.8
133P31.4Very low34.9Very low123 Ų123140.3 Ų140.380%0.79978%0.779SS**  trans-98133.1177.734.8-26.6000111.3
134S38.4Very low33.9Very low98 Ų98142 Ų14269%0.68580%0.8SS**  trans-158.7104.4164.242.10000112.8
135I35.7Very low33.4Very low160 Ų160140.9 Ų140.982%0.82181%0.81SS**  64.7120.3128.6-60.8159000119
136D32.7Very low33Very low158 Ų158141.8 Ų141.885%0.84581%0.814SS**  trans-62.6128.1167.5-62.2-58.2000113.1
137V36.4Very low32.7Very low138 Ų138141.9 Ų141.984%0.83682%0.818SS**  trans-146.1119.2147.2-176.50000108
138C32.8Very low32.3Very low127 Ų127142.5 Ų142.586%0.85882%0.818SS**  trans-82.4129.4169.7-65.60000109.5
139D30.1Very low32Very low151 Ų151140.4 Ų140.481%0.80782%0.815SS**  trans-147129.8153.8-150.5-1.3000110.3
140E32Very low31.8Very low184 Ų184141.7 Ų141.786%0.8682%0.817SS**  trans-86.1108.3179.8-73-172.315600109.2
141T33.3Very low31.7Very low129 Ų129139.3 Ų139.379%0.79182%0.815SS**  trans-161.9138.815227.30000111.5
142K28.5Very low31.9Very low192 Ų192142 Ų14284%0.83582%0.815SS**  trans-7.1131.6164.5-63.6170.3177.2175.80116.2
143T28.7Very low32.3Very low138 Ų138139.2 Ų139.285%0.84782%0.815SS**  175.1149.1116.727.90000111.8
144S28.4Very low33.3Very low121 Ų121138.3 Ų138.385%0.84681%0.812SS**  trans-46140.1171.754.80000114.3
145G30.2Very low34.1Very low69 Ų69142 Ų14271%0.71182%0.818SS**  trans-177.6100.4170.600000113.6
146T29.3Very low35.4Very low128 Ų128138.7 Ų138.779%0.78581%0.808SS**  trans71.189.7147-45.40000117.7T148T146-T148 HydrophobicContact CG2-CG2 4.39Å; T146-T148 PolarHBondContact O-N 3.01Å
147E29.6Very low37Very low199 Ų199136.8 Ų136.893%0.9380%0.797SS**  trans-67.4105.9156.6-66.9179.3172.800109.1S149E147-S149 PolarHBondContact O-N 3.05Å
148T31.6Very low38.4Very low116 Ų116137 Ų13771%0.71279%0.793SS**  trans-75.9103.5167.943.50000109.4T146 D150T146-T148 HydrophobicContact CG2-CG2 4.39Å; T146-T148 PolarHBondContact O-N 3.01Å; T148-D150 PolarHBondContact O-N 3.2Å
149S26.5Very low40.1Very low109 Ų109137.2 Ų137.276%0.76279%0.786SS**  trans10.991.2160.369.10000116.3E147 T151E147-S149 PolarHBondContact O-N 3.05Å; S149-T151 PolarHBondContact O-N 3.21Å
150D33.4Very low42.1Very low162 Ų162134.5 Ų134.587%0.86677%0.772SS**  trans-68.5117155.6-78.8-40.1000108.4T148 E152T148-D150 PolarHBondContact O-N 3.2Å; D150-E152 PolarHBondContact O-N 3.2Å
151T34Very low44.4Very low137 Ų137133.6 Ų133.684%0.8476%0.761SS**  trans-32.8124.6164.9-42.50000110.6S149 A153S149-T151 PolarHBondContact O-N 3.21Å; T151-A153 PolarHBondContact O-N 2.81Å
152E33.5Very low46.6Very low186 Ų186131.9 Ų131.987%0.86975%0.745SS**  trans-35106.5-177.2-59.4-171.3171.700112.4D150 S154D150-E152 PolarHBondContact O-N 3.2Å; E152-S154 PolarHBondContact O-N 3.03Å
153A42.7Very low49.2Very low99 Ų99125.9 Ų125.982%0.81873%0.725SS**  trans-71.689.1160.700000106.1T151 E155T151-A153 PolarHBondContact O-N 2.81Å; A153-E155 PolarHBondContact O-N 3.36Å
154S50.9Low51.9Low104 Ų104128.5 Ų128.573%0.72773%0.728SS**PPolyproline II helixtrans-50.2133.1162.650.10000108E152E152-S154 PolarHBondContact O-N 3.03Å
155E56.5Low54.5Low174 Ų174130.1 Ų130.181%0.81373%0.727SS**PPolyproline II helixtrans-48.7133.6173.8-64.1-176.6157.600108.5A153 D157A153-E155 PolarHBondContact O-N 3.36Å; E155-D157 PolarHBondContact O-N 2.99Å; E155-D157 VanDerWaalsContact O-N 3.11Å
156P61.7Low56.9Low92 Ų92128 Ų12860%0.59770%0.7SS**PPolyproline II helixtrans-58.9121.5178.725-32.3000108
157D66.9Low59.4Low118 Ų118127 Ų12763%0.63168%0.684SS**PPolyproline II helixtrans-53.1142.3177.1-73.4-37.7000109.2E155 D159 D160E155-D157 PolarHBondContact O-N 2.99Å; E155-D157 VanDerWaalsContact O-N 3.11Å; D157-D159 PolarHBondContact O-N 3.02Å; D157-D160 WeakPolarHBondContact O-CB 3.14Å; D157-D160 PolarHBondContact O-N 3.43Å
158D66.5Low61.5Low141 Ų141123.3 Ų123.375%0.75467%0.671SS**G310 helixtrans-54.9-25.5179.1-76.7-35.3000112.2D160 W161D158-D160 PolarHBondContact O-N 3.04Å; D158-W161 PolarHBondContact O-N 2.93Å
159D67.7Low63.4Low132 Ų132124 Ų12471%0.70667%0.666SS**G310 helixtrans-69.2-10.3175.6-66.3-30.4000114.1D157 K170D157-D159 PolarHBondContact O-N 3.02Å; D159-K170 WeakPolarHBondContact O-CE 3.35Å; D159-K170 PolarHBondContact O-NZ 3.4Å
160D72.5Confident65.6Low94 Ų94120.3 Ų120.350%0.50364%0.636SS.*G310 helixtrans-86.9-11.4177.2-89.1-14.8000115.1D157 D158 K170D157-D160 WeakPolarHBondContact O-CB 3.14Å; D157-D160 PolarHBondContact O-N 3.43Å; D158-D160 PolarHBondContact O-N 3.04Å; D160-K170 IonicContact OD1-NZ 3.85Å; D160-K170 PolarHBondContact OD1-NZ 3.49Å
161W80.5Confident67.4Low166 Ų166114.4 Ų114.463%0.62961%0.61SS**SBendtrans-67.6141.5174.3-74.291.8000111.6D158 T163 N166D158-W161 PolarHBondContact O-N 2.93Å; W161-T163 HydrophobicContact CB-CG2 4.39Å; W161-T163 PolarHBondContact O-N 3.3Å; W161-N166 PolarHBondContact O-ND2 3.32Å; W161-N166 PolarHBondContact O-OD1 3.12Å
162I79.6Confident68.8Low92 Ų92111.6 Ų111.647%0.47259%0.589SS.*  trans-85.9106.8169.6-57.3166.8000107.4N166 F167 K170 F175I162-N166 WeakPolarHBondContact CA-OD1 3.45Å; I162-F167 HydrophobicContact CG2-CB 4.49Å; I162-F167 HydrophobicContact CG2-CD2 3.85Å; I162-K170 HydrophobicContact CG1-CB 4.44Å; I162-F175 HydrophobicContact CD1-CB 4.21Å; I162-F175 HydrophobicContact CD1-CD1 3.44Å; I162-F175 VanDerWaalsContact CD1-CD1 3.44Å; I162-F175 HydrophobicContact CD1-CE1 4.15Å; I162-F175 HydrophobicContact CD1-CG 4.14Å; I162-F175 HydrophobicContact CG1-CD1 4.06Å
163T83.2Confident70.2Confident66 Ų66105.4 Ų105.441%0.40556%0.563SS.*  trans-106.9164.4175.165.50000110.2W161 N165 N166 F167W161-T163 HydrophobicContact CB-CG2 4.39Å; W161-T163 PolarHBondContact O-N 3.3Å; T163-N165 PolarHBondContact O-N 3.35Å; T163-N166 PolarHBondContact N-OD1 3.01Å; T163-N166 PolarHBondContact O-N 3.25Å; T163-N166 PolarHBondContact O-OD1 2.74Å; T163-N166 PolarHBondContact OG1-N 3.44Å; T163-N166 PolarHBondContact OG1-ND2 2.94Å; T163-N166 PolarHBondContact OG1-OD1 3.1Å; T163-F167 PolarHBondContact O-N 2.75Å
164E84.9Confident71.1Confident193 Ų193105.3 Ų105.390%0.90255%0.549SS*.THydrogen-bonded Turntrans-56.7-32176.9-63.2-179.3176.100112.3
165N82.5Confident71.5Confident155 Ų155104.3 Ų104.383%0.82953%0.532SS*.THydrogen-bonded Turntrans-81.6-26.2-177.9-62.8-24.6000113.4T163T163-N165 PolarHBondContact O-N 3.35Å
166N82Confident71.2Confident26 Ų2698.4 Ų98.414%0.13952%0.518CS..THydrogen-bonded Turntrans-109.53.9-177.172.524.8000113.7W161 I162 T163 D168 E169 K170W161-N166 PolarHBondContact O-ND2 3.32Å; W161-N166 PolarHBondContact O-OD1 3.12Å; I162-N166 WeakPolarHBondContact CA-OD1 3.45Å; T163-N166 PolarHBondContact N-OD1 3.01Å; T163-N166 PolarHBondContact O-N 3.25Å; T163-N166 PolarHBondContact O-OD1 2.74Å; T163-N166 PolarHBondContact OG1-N 3.44Å; T163-N166 PolarHBondContact OG1-ND2 2.94Å; T163-N166 PolarHBondContact OG1-OD1 3.1Å; N166-D168 VanDerWaalsContact C-N 3.32Å; N166-D168 PolarHBondContact O-N 3.17Å; N166-E169 PolarHBondContact O-N 3.47Å; N166-K170 HydrophobicContact CB-CG 4.45Å; N166-K170 WeakPolarHBondContact O-CB 3.36Å; N166-K170 WeakPolarHBondContact O-CG 3.41Å; N166-K170 PolarHBondContact O-N 2.84Å
167F80.2Confident70.7Confident106 Ų106100.8 Ų100.847%0.46553%0.525SS..Hα-helixtrans-55.9-46.1-177.4177.6-94000112.1I162 T163 A171 F175I162-F167 HydrophobicContact CG2-CB 4.49Å; I162-F167 HydrophobicContact CG2-CD2 3.85Å; T163-F167 PolarHBondContact O-N 2.75Å; F167-A171 WeakPolarHBondContact O-CB 3.42Å; F167-A171 PolarHBondContact O-N 3.43Å; F167-F175 HydrophobicContact CD2-CE1 4.21Å; F167-F175 AromaticContact CE2-CE1 3.95Å; F167-F175 HydrophobicContact CE2-CE1 3.95Å; F167-F175 HydrophobicContact CE2-CZ 4.1Å; F167-F175 HydrophobicContact CZ-CZ 4.31Å
168D73.8Confident69.6Low121 Ų12197.4 Ų97.465%0.64752%0.518SS*.Hα-helixtrans-66.6-41.6-178.8-70.4-27.8000111.5N166 A171 M172N166-D168 VanDerWaalsContact C-N 3.32Å; N166-D168 PolarHBondContact O-N 3.17Å; D168-A171 PolarHBondContact O-N 2.92Å; D168-M172 VanDerWaalsContact O-CG 3.31Å; D168-M172 WeakPolarHBondContact O-CG 3.08Å; D168-M172 PolarHBondContact O-N 3.23Å
169E71.7Confident68.9Low131 Ų13192.9 Ų92.961%0.61250%0.504SS*.Hα-helixtrans-68-43.8177.6-62.9-176174.900112.7N166 M172 T173N166-E169 PolarHBondContact O-N 3.47Å; E169-M172 HydrophobicContact CB-CE 4.35Å; E169-M172 HydrophobicContact CG-CE 4.15Å; E169-M172 WeakPolarHBondContact O-CB 3.36Å; E169-M172 PolarHBondContact O-N 3.01Å; E169-T173 PolarHBondContact O-N 3.27Å; E169-T173 PolarHBondContact O-OG1 3.46Å; E169-T173 VanDerWaalsContact O-OG1 3.12Å
170K73.2Confident68.2Low31 Ų3194.9 Ų94.914%0.13551%0.507CS..Hα-helixtrans-66-39.8173.9-71.6-66.4-171.6-174.60110.2D159 D160 I162 N166 M172 T173 N174 F175D159-K170 WeakPolarHBondContact O-CE 3.35Å; D159-K170 PolarHBondContact O-NZ 3.4Å; D160-K170 IonicContact OD1-NZ 3.85Å; D160-K170 PolarHBondContact OD1-NZ 3.49Å; I162-K170 HydrophobicContact CG1-CB 4.44Å; N166-K170 HydrophobicContact CB-CG 4.45Å; N166-K170 WeakPolarHBondContact O-CB 3.36Å; N166-K170 WeakPolarHBondContact O-CG 3.41Å; N166-K170 PolarHBondContact O-N 2.84Å; K170-M172 VanDerWaalsContact C-N 3.27Å; K170-M172 PolarHBondContact O-N 3.46Å; K170-T173 WeakPolarHBondContact CA-OG1 3.49Å; K170-T173 CarbonylContact O-C 3.59Å; K170-T173 PolarHBondContact O-N 3.4Å; K170-T173 VanDerWaalsContact O-N 3.13Å; K170-T173 PolarHBondContact O-OG1 2.87Å; K170-N174 PolarHBondContact O-N 2.84Å; K170-N174 VanDerWaalsContact O-N 3.07Å; K170-F175 HydrophobicContact CB-CD1 3.97Å; K170-F175 WeakPolarHBondContact O-CA 3.34Å; K170-F175 PolarHBondContact O-N 2.92Å
171A70.1Confident67.5Low39 Ų3991.9 Ų91.932%0.32249%0.49SS..Hα-helixtrans-60-37.3173.900000112F167 D168 N174 F175F167-A171 WeakPolarHBondContact O-CB 3.42Å; F167-A171 PolarHBondContact O-N 3.43Å; D168-A171 PolarHBondContact O-N 2.92Å; A171-N174 PolarHBondContact O-N 2.86Å; A171-F175 HydrophobicContact CB-CE1 3.96Å; A171-F175 HydrophobicContact CB-CE2 4.32Å; A171-F175 HydrophobicContact CB-CZ 3.67Å
172M64.4Low66.3Low78 Ų7887.6 Ų87.638%0.38449%0.49SS..Hα-helixtrans-64.3-40.7173.4-73.9-168.7-67.300113.2D168 E169 K170 N174 N220 L222D168-M172 VanDerWaalsContact O-CG 3.31Å; D168-M172 WeakPolarHBondContact O-CG 3.08Å; D168-M172 PolarHBondContact O-N 3.23Å; E169-M172 HydrophobicContact CB-CE 4.35Å; E169-M172 HydrophobicContact CG-CE 4.15Å; E169-M172 WeakPolarHBondContact O-CB 3.36Å; E169-M172 PolarHBondContact O-N 3.01Å; K170-M172 VanDerWaalsContact C-N 3.27Å; K170-M172 PolarHBondContact O-N 3.46Å; M172-N174 PolarHBondContact O-N 3.04Å; M172-N220 WeakPolarHBondContact CG-ND2 3.46Å; M172-L222 HydrophobicContact SD-CD1 4.41Å
173T63.3Low65.3Low55 Ų5588.6 Ų88.634%0.33750%0.497SS..THydrogen-bonded Turntrans-86.416.2177.556.10000113E169 K170 F175 G176E169-T173 PolarHBondContact O-N 3.27Å; E169-T173 PolarHBondContact O-OG1 3.46Å; E169-T173 VanDerWaalsContact O-OG1 3.12Å; K170-T173 WeakPolarHBondContact CA-OG1 3.49Å; K170-T173 CarbonylContact O-C 3.59Å; K170-T173 PolarHBondContact O-N 3.4Å; K170-T173 VanDerWaalsContact O-N 3.13Å; K170-T173 PolarHBondContact O-OG1 2.87Å; T173-F175 PolarHBondContact O-N 2.95Å; T173-G176 PolarHBondContact O-N 3.17Å
174N62Low64.6Low98 Ų9886.7 Ų86.752%0.52448%0.484SS..G310 helixtrans56.838.9179.1-150.141.5000112.6K170 A171 M172 G176 L177 I181K170-N174 PolarHBondContact O-N 2.84Å; K170-N174 VanDerWaalsContact O-N 3.07Å; A171-N174 PolarHBondContact O-N 2.86Å; M172-N174 PolarHBondContact O-N 3.04Å; N174-G176 PolarHBondContact O-N 3.29Å; N174-L177 WeakPolarHBondContact O-CB 3.4Å; N174-L177 PolarHBondContact O-N 3.02Å; N174-I181 HydrophobicContact CB-CD1 3.89Å
175F57.4Low63.8Low83 Ų8379.3 Ų79.336%0.36445%0.45SS..G310 helixtrans56.740.7178.4-55.5-77.4000113.9I162 F167 K170 A171 T173 L177I162-F175 HydrophobicContact CD1-CB 4.21Å; I162-F175 HydrophobicContact CD1-CD1 3.44Å; I162-F175 VanDerWaalsContact CD1-CD1 3.44Å; I162-F175 HydrophobicContact CD1-CE1 4.15Å; I162-F175 HydrophobicContact CD1-CG 4.14Å; I162-F175 HydrophobicContact CG1-CD1 4.06Å; F167-F175 HydrophobicContact CD2-CE1 4.21Å; F167-F175 AromaticContact CE2-CE1 3.95Å; F167-F175 HydrophobicContact CE2-CE1 3.95Å; F167-F175 HydrophobicContact CE2-CZ 4.1Å; F167-F175 HydrophobicContact CZ-CZ 4.31Å; K170-F175 HydrophobicContact CB-CD1 3.97Å; K170-F175 WeakPolarHBondContact O-CA 3.34Å; K170-F175 PolarHBondContact O-N 2.92Å; A171-F175 HydrophobicContact CB-CE1 3.96Å; A171-F175 HydrophobicContact CB-CE2 4.32Å; A171-F175 HydrophobicContact CB-CZ 3.67Å; T173-F175 PolarHBondContact O-N 2.95Å; F175-L177 PolarHBondContact O-N 3.4Å
176G51.8Low63.1Low50 Ų5073.8 Ų73.852%0.51542%0.419SS..G310 helixtrans74.74.6178.500000114.9T173 N174 G178T173-G176 PolarHBondContact O-N 3.17Å; N174-G176 PolarHBondContact O-N 3.29Å; G176-G178 PolarHBondContact O-N 3.28Å
177L50.8Low62.3Low142 Ų14276.4 Ų76.474%0.74344%0.438SS*.SBendtrans-76.235.6-177.2-79.5151.9000115.2N174 F175N174-L177 WeakPolarHBondContact O-CB 3.4Å; N174-L177 PolarHBondContact O-N 3.02Å; F175-L177 PolarHBondContact O-N 3.4Å
178G44.5Very low61.4Low47 Ų4774 Ų7449%0.48543%0.429SS..SBendtrans94.496.1158.400000116.1G176 R228G176-G178 PolarHBondContact O-N 3.28Å; G178-R228 PolarHBondContact O-NH1 3.36Å; G178-R228 VanDerWaalsContact O-NH1 3.13Å
179G50.6Low60.6Low46 Ų4672.2 Ų72.247%0.47442%0.42SS..SBendtrans144.7137.5161.700000110.3I181G179-I181 PolarHBondContact O-N 3.39Å
180K53.9Low59.6Low174 Ų17475.5 Ų75.576%0.75744%0.435SS*.  trans-64.274.4168.5-63.8178.2179.3-178.60109.2A182 D183K180-A182 PolarHBondContact O-N 3.35Å; K180-D183 PolarHBondContact O-N 2.96Å
181I57.1Low58.4Low30 Ų3080.1 Ų80.115%0.15447%0.466CS..G310 helixtrans-65.5-22.6-178.2-68.6160.1000110.4N174 G179 D183 L184 L185N174-I181 HydrophobicContact CB-CD1 3.89Å; G179-I181 PolarHBondContact O-N 3.39Å; I181-D183 PolarHBondContact O-N 3.21Å; I181-D183 VanDerWaalsContact O-N 3.12Å; I181-L184 WeakPolarHBondContact O-CB 3.44Å; I181-L184 PolarHBondContact O-N 3.38Å; I181-L185 HydrophobicContact CG2-CD1 3.79Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 PolarHBondContact O-N 2.6Å
182A55.1Low57.6Low76 Ų7682.5 Ų82.563%0.62847%0.47SS*.G310 helixtrans-52.5-31.2173.300000112.8K180 L184K180-A182 PolarHBondContact O-N 3.35Å; A182-L184 VanDerWaalsContact C-N 3.28Å; A182-L184 PolarHBondContact O-N 3.5Å
183D59Low57.1Low114 Ų11482.9 Ų82.961%0.6148%0.477SS*.G310 helixtrans-77.1-15.3179-59.9-22.8000112.9K180 I181K180-D183 PolarHBondContact O-N 2.96Å; I181-D183 PolarHBondContact O-N 3.21Å; I181-D183 VanDerWaalsContact O-N 3.12Å
184L67.7Low57.4Low26 Ų2683 Ų8314%0.13648%0.475CS..G310 helixtrans-94.3-16.9-177.4-51.7176.8000112.8I181 A182 R225 Q226 R228I181-L184 WeakPolarHBondContact O-CB 3.44Å; I181-L184 PolarHBondContact O-N 3.38Å; A182-L184 VanDerWaalsContact C-N 3.28Å; A182-L184 PolarHBondContact O-N 3.5Å; L184-R225 PolarHBondContact O-N 3.08Å; L184-Q226 HydrophobicContact CD2-CB 3.61Å; L184-Q226 HydrophobicContact CD2-CG 4.4Å; L184-Q226 VanDerWaalsContact CD2-OE1 3.31Å; L184-R228 HydrophobicContact CD1-CB 4.38Å
185L68.7Low58.4Low37 Ų3778.9 Ų78.919%0.19445%0.454CS..EExtended strand (participates in β ladder)trans-118.9134.7-175.9-69.7165.1000109.1I181 L222 R223 I224I181-L185 HydrophobicContact CG2-CD1 3.79Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 PolarHBondContact O-N 2.6Å; L185-L222 HydrophobicContact CB-CB 4.17Å; L185-L222 HydrophobicContact CB-CD1 4.11Å; L185-L222 HydrophobicContact CD1-CD1 4.17Å; L185-L222 HydrophobicContact CD2-CB 3.99Å; L185-R223 WeakPolarHBondContact CA-O 3.36Å; L185-I224 HydrophobicContact CD2-CG1 3.86Å
186E67.4Low60Low39 Ų3975 Ų7518%0.18244%0.437CS..EExtended strand (participates in β ladder)trans-121.8145.6174.3-75.3-166.9-75.300112.3I188 L222 R223 R225E186-I188 PolarHBondContact O-N 2.98Å; E186-L222 CarbonylContact O-C 3.53Å; E186-L222 WeakPolarHBondContact O-CA 3.46Å; E186-R223 PolarHBondContact N-O 3.05Å; E186-R223 PolarHBondContact O-N 3.23Å; E186-R225 HydrophobicContact CG-CG 4.13Å; E186-R225 WeakPolarHBondContact OE1-CD 3.47Å; E186-R225 WeakPolarHBondContact OE1-CG 3.25Å; E186-R225 IonicContact OE1-CZ 2.9Å; E186-R225 IonicContact OE1-NE 3.53Å; E186-R225 PolarHBondContact OE1-NE 3.16Å; E186-R225 IonicContact OE1-NH1 3.99Å; E186-R225 IonicContact OE1-NH2 2.77Å; E186-R225 PolarHBondContact OE1-NH2 3.16Å; E186-R225 IonicContact OE2-CZ 3.12Å; E186-R225 IonicContact OE2-NE 3.63Å; E186-R225 IonicContact OE2-NH1 3.73Å; E186-R225 IonicContact OE2-NH2 2.61Å; E186-R225 PolarHBondContact OE2-NH2 3.3Å
187P64.3Low62Low82 Ų8272.7 Ų72.753%0.53241%0.413SS..  trans-60.3137.7161.529.1-32.7000108.5N189 L222P187-N189 PolarHBondContact O-N 2.88Å; P187-L222 HydrophobicContact CB-CD2 4.5Å
188I62.4Low64.1Low55 Ų5565.9 Ų65.928%0.28238%0.378SS..  trans-68.2104.1169.3-60.1170.8000105.7E186 E190 V195 V217 G221 R223E186-I188 PolarHBondContact O-N 2.98Å; I188-E190 PolarHBondContact O-N 3.42Å; I188-V195 HydrophobicContact CG2-CG2 3.89Å; I188-V217 HydrophobicContact CD1-CG2 3.99Å; I188-G221 VanDerWaalsContact CD1-O 3.26Å; I188-G221 WeakPolarHBondContact CD1-O 3Å; I188-R223 HydrophobicContact CG1-CB 4.21Å
189N56.2Low66.5Low84 Ų8463.7 Ų63.745%0.44936%0.355SS..  trans-57.8124.1178.1-71.1-33.6000108.6P187 V191 E192P187-N189 PolarHBondContact O-N 2.88Å; N189-V191 PolarHBondContact O-N 3.35Å; N189-E192 PolarHBondContact O-N 3.19Å
190E50.3Low68.5Low200 Ų20061.7 Ų61.794%0.93533%0.333SS*.THydrogen-bonded Turntrans-55.5-14.2179.2-63.2179.8171.400113.4I188I188-E190 PolarHBondContact O-N 3.42Å
191V48.5Very low70.2Confident128 Ų12856.4 Ų56.478%0.77632%0.316SS*.THydrogen-bonded Turntrans-77.7-23.5179.9-169.90000112.7N189 T193N189-V191 PolarHBondContact O-N 3.35Å; V191-T193 PolarHBondContact O-N 2.88Å
192E54.9Low71.9Confident89 Ų8958 Ų5842%0.41632%0.324SS..SBendtrans-74.694.8179-68.9-171.3-179.800110.3N189 N194 V195 R223N189-E192 PolarHBondContact O-N 3.19Å; E192-N194 PolarHBondContact O-N 2.93Å; E192-V195 HydrophobicContact CB-CG2 4.16Å; E192-R223 IonicContact OE1-NH1 2.66Å; E192-R223 IonicContact OE2-NH1 2.54Å; E192-R223 PolarHBondContact OE2-NH1 3.49Å; E192-R223 VanDerWaalsContact OE2-NH1 3.09Å
193T52.9Low73.5Confident86 Ų8655.7 Ų55.753%0.52830%0.3SS..SBendtrans-69.6118.517955.40000110.5V191V191-T193 PolarHBondContact O-N 2.88Å
194N68.7Low75.1Confident56 Ų5650.5 Ų50.530%0.29927%0.273SS..SBendtrans76.177.7180-50.2-21.3000114.5I101 E192I101-N194 VanDerWaalsContact CD1-O 3.27Å; I101-N194 WeakPolarHBondContact CD1-O 3.33Å; I101-N194 VanDerWaalsContact CG1-O 3.3Å; I101-N194 WeakPolarHBondContact CG1-O 3.49Å; E192-N194 PolarHBondContact O-N 2.93Å
195V83.7Confident76.4Confident12 Ų1249.3 Ų49.37%0.07327%0.267CS..  trans-88.3125.7173.7-178.80000109.9S8 H9 I188 E192 A197S8-V195 CarbonylContact C-O 3.46Å; S8-V195 WeakPolarHBondContact CA-O 3.23Å; H9-V195 PolarHBondContact N-O 2.83Å; I188-V195 HydrophobicContact CG2-CG2 3.89Å; E192-V195 HydrophobicContact CB-CG2 4.16Å; V195-A197 HydrophobicContact CG1-CB 4.36Å
196V91.8Very high77.6Confident2 Ų248.4 Ų48.41%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-115.3117168.9-177.90000108.4H9 L96 H97 Y100 I101H9-V196 HydrophobicContact CB-CG2 4.23Å; H9-V196 WeakPolarHBondContact O-CA 3.43Å; L96-V196 HydrophobicContact CB-CG1 3.74Å; H97-V196 HydrophobicContact CB-CB 4.32Å; H97-V196 HydrophobicContact CB-CG1 4.18Å; Y100-V196 HydrophobicContact CD2-CG2 4.47Å; I101-V196 HydrophobicContact CD1-CB 3.87Å; I101-V196 HydrophobicContact CD1-CG2 3.75Å; I101-V196 HydrophobicContact CG1-CG2 4.15Å
197A93.3Very high78.8Confident1 Ų146.9 Ų46.91%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-139.6159.9-176.400000113.7H9 I10 V11 V195 D215 V217H9-A197 PolarHBondContact O-N 3.22Å; I10-A197 WeakPolarHBondContact CA-O 3.41Å; V11-A197 PolarHBondContact N-O 2.83Å; V195-A197 HydrophobicContact CG1-CB 4.36Å; A197-D215 CarbonylContact C-O 3.59Å; A197-D215 VanDerWaalsContact CA-O 3.24Å; A197-D215 WeakPolarHBondContact CA-O 3.47Å; A197-D215 HydrophobicContact CB-CB 3.91Å; A197-D215 WeakPolarHBondContact CB-O 3.42Å; A197-V217 HydrophobicContact CB-CB 4.29Å; A197-V217 HydrophobicContact CB-CG2 3.4Å; A197-V217 VanDerWaalsContact CB-CG2 3.4Å
198C95Very high80.3Confident0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-104.5127.9171.9-167.10000110.8V11 T93 L209 D215 V217V11-C198 WeakPolarHBondContact O-CA 3.21Å; T93-C198 HydrophobicContact CG2-CB 3.56Å; C198-L209 HydrophobicContact CB-CD1 3.53Å; C198-L209 HydrophobicContact CB-CD2 3.8Å; C198-L209 HydrophobicContact CB-CG 4.33Å; C198-D215 PolarHBondContact N-O 3.18Å; C198-V217 PolarHBondContact O-N 2.81Å
199L93.8Very high81.9Confident1 Ų140.3 Ų40.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-93.3100.2174.4-171.382.7000109.2I10 V11 V12 D13 P16 L23 F26 V217 S218I10-L199 HydrophobicContact CG2-CB 3.76Å; V11-L199 PolarHBondContact O-N 2.82Å; V12-L199 HydrophobicContact CG1-CD2 4.3Å; V12-L199 HydrophobicContact CG2-CB 4.34Å; V12-L199 HydrophobicContact CG2-CD2 4.16Å; D13-L199 VanDerWaalsContact CB-O 3.29Å; D13-L199 WeakPolarHBondContact CB-O 3.37Å; D13-L199 PolarHBondContact N-O 2.95Å; P16-L199 HydrophobicContact CB-CD2 3.48Å; P16-L199 VanDerWaalsContact CB-CD2 3.48Å; P16-L199 HydrophobicContact CB-CG 4.37Å; P16-L199 HydrophobicContact CG-CB 4.33Å; P16-L199 HydrophobicContact CG-CD2 3.21Å; P16-L199 HydrophobicContact CG-CG 3.57Å; L23-L199 HydrophobicContact CD2-CD2 3.38Å; F26-L199 HydrophobicContact CE1-CD1 4.02Å; F26-L199 HydrophobicContact CZ-CD1 4.16Å; L199-V217 HydrophobicContact CD1-CB 4.19Å; L199-V217 HydrophobicContact CD1-CG1 3.74Å; L199-S218 WeakPolarHBondContact CD1-O 3.3Å
200T93.4Very high83.7Confident3 Ų336.7 Ų36.72%0.01820%0.196CC..  trans-145.7150.2-178.7-177.30000112.8D13 D202 M205 Q206 L209 I216D13-T200 PolarHBondContact OD2-OG1 3.48Å; T200-D202 PolarHBondContact OG1-N 3.17Å; T200-M205 HydrophobicContact CG2-CB 4.17Å; T200-M205 VanDerWaalsContact OG1-CE 3.26Å; T200-M205 WeakPolarHBondContact OG1-CE 3.41Å; T200-Q206 HydrophobicContact CG2-CG 3.8Å; T200-Q206 PolarHBondContact O-NE2 3.42Å; T200-L209 HydrophobicContact CG2-CD1 3.87Å; T200-I216 HydrophobicContact CG2-CG2 4.5Å
201T90.4Very high85.8Confident64 Ų6427.5 Ų27.539%0.39315%0.153SC..  trans-103-10.1172.658.50000114.2A15 I219A15-T201 HydrophobicContact CB-CG2 4.03Å; A15-T201 WeakPolarHBondContact CB-OG1 3.31Å; T201-I219 HydrophobicContact CG2-CD1 3.28Å; T201-I219 HydrophobicContact CG2-CG1 3.92Å
202D91.4Very high88Confident62 Ų6221.4 Ų21.433%0.33212%0.116SC..  trans-83.5126-176.1-175.420.7000111.2T200 A204 M205 Q206T200-D202 PolarHBondContact OG1-N 3.17Å; D202-A204 VanDerWaalsContact C-N 3.3Å; D202-A204 PolarHBondContact O-N 3.32Å; D202-A204 PolarHBondContact OD1-N 3.32Å; D202-M205 HydrophobicContact CB-CE 3.74Å; D202-M205 PolarHBondContact O-N 2.93Å; D202-Q206 VanDerWaalsContact O-CG 3.25Å; D202-Q206 WeakPolarHBondContact O-CG 3.32Å; D202-Q206 PolarHBondContact O-N 3.42Å
203F90.4Very high89.8Confident28 Ų2818.1 Ų18.112%0.12311%0.107CC..Hα-helixtrans-64.1-35-178.4177.7-101.4000112.5M205 Q206 N207 P227 T229F203-M205 VanDerWaalsContact C-N 3.28Å; F203-M205 PolarHBondContact O-N 3.27Å; F203-Q206 PolarHBondContact O-N 3.26Å; F203-N207 HydrophobicContact CE1-CB 4.19Å; F203-N207 HydrophobicContact CZ-CB 4.22Å; F203-N207 WeakPolarHBondContact O-CB 3.39Å; F203-N207 PolarHBondContact O-N 3.11Å; F203-P227 HydrophobicContact CD2-CB 4.36Å; F203-P227 HydrophobicContact CE2-CB 4.11Å; F203-T229 WeakPolarHBondContact CB-OG1 3.28Å; F203-T229 HydrophobicContact CD1-CG2 3.49Å; F203-T229 VanDerWaalsContact CD1-CG2 3.49Å; F203-T229 HydrophobicContact CD2-CG2 3.59Å; F203-T229 HydrophobicContact CE1-CG2 3.32Å; F203-T229 HydrophobicContact CE2-CG2 3.37Å; F203-T229 HydrophobicContact CG-CG2 3.61Å; F203-T229 VanDerWaalsContact CG-OG1 3.31Å; F203-T229 WeakPolarHBondContact CG-OG1 3.48Å; F203-T229 HydrophobicContact CZ-CG2 3.23Å
204A92.2Very high91.7Very high5 Ų514.4 Ų14.44%0.0418%0.083CC..Hα-helixtrans-62.3-40.4-179.900000111D78 V81 L82 D202 V208D78-A204 HydrophobicContact CB-CB 4.44Å; V81-A204 HydrophobicContact CB-CB 4.4Å; V81-A204 HydrophobicContact CG1-CB 3.99Å; L82-A204 HydrophobicContact CD2-CB 3.63Å; L82-A204 HydrophobicContact CG-CB 4.12Å; D202-A204 VanDerWaalsContact C-N 3.3Å; D202-A204 PolarHBondContact O-N 3.32Å; D202-A204 PolarHBondContact OD1-N 3.32Å; A204-V208 PolarHBondContact O-N 3.06Å
205M94.7Very high92.9Very high2 Ų213.3 Ų13.31%0.018%0.077CC..Hα-helixtrans-68.3-46.4173.9-72.8-163.4-90.700111.8D13 L82 D86 I90 T200 D202 F203 N207 V208 L209D13-M205 HydrophobicContact CB-CE 4.48Å; D13-M205 VanDerWaalsContact CG-CE 3.49Å; D13-M205 WeakPolarHBondContact OD2-CE 3.36Å; L82-M205 HydrophobicContact CD2-CB 4.46Å; L82-M205 HydrophobicContact CD2-CG 3.59Å; D86-M205 HydrophobicContact CB-CE 4.44Å; D86-M205 HydrophobicContact CB-CG 3.85Å; D86-M205 HydrophobicContact CB-SD 3.65Å; D86-M205 WeakPolarHBondContact OD1-CE 3.42Å; I90-M205 HydrophobicContact CD1-CB 4.23Å; I90-M205 HydrophobicContact CD1-CG 4.07Å; T200-M205 HydrophobicContact CG2-CB 4.17Å; T200-M205 VanDerWaalsContact OG1-CE 3.26Å; T200-M205 WeakPolarHBondContact OG1-CE 3.41Å; D202-M205 HydrophobicContact CB-CE 3.74Å; D202-M205 PolarHBondContact O-N 2.93Å; F203-M205 VanDerWaalsContact C-N 3.28Å; F203-M205 PolarHBondContact O-N 3.27Å; M205-N207 VanDerWaalsContact C-N 3.27Å; M205-N207 PolarHBondContact O-N 3.47Å; M205-V208 PolarHBondContact O-N 3.46Å; M205-V208 VanDerWaalsContact O-N 3.16Å; M205-L209 HydrophobicContact CB-CD1 4.48Å; M205-L209 WeakPolarHBondContact O-CB 3.26Å; M205-L209 WeakPolarHBondContact O-CD1 3.48Å; M205-L209 VanDerWaalsContact O-CG 3.31Å; M205-L209 WeakPolarHBondContact O-CG 3.39Å; M205-L209 PolarHBondContact O-N 3.03Å
206Q94.3Very high93.3Very high18 Ų1812.9 Ų12.98%0.0848%0.075CC..Hα-helixtrans-56.7-41.3177.6-67.6173.5-3.300111.9T200 D202 F203 V208 L209 F210 I216 P227T200-Q206 HydrophobicContact CG2-CG 3.8Å; T200-Q206 PolarHBondContact O-NE2 3.42Å; D202-Q206 VanDerWaalsContact O-CG 3.25Å; D202-Q206 WeakPolarHBondContact O-CG 3.32Å; D202-Q206 PolarHBondContact O-N 3.42Å; F203-Q206 PolarHBondContact O-N 3.26Å; Q206-V208 PolarHBondContact O-N 2.9Å; Q206-L209 PolarHBondContact O-N 3.47Å; Q206-F210 VanDerWaalsContact O-CB 3.23Å; Q206-F210 WeakPolarHBondContact O-CB 3.3Å; Q206-F210 PolarHBondContact O-N 3.45Å; Q206-I216 HydrophobicContact CB-CD1 3.99Å; Q206-I216 HydrophobicContact CG-CD1 4.44Å; Q206-I216 HydrophobicContact CG-CG2 3.86Å; Q206-I216 VanDerWaalsContact O-CD1 3.23Å; Q206-I216 WeakPolarHBondContact O-CD1 3.37Å; Q206-P227 HydrophobicContact CB-CB 4.29Å
207N93.4Very high93.3Very high6 Ų612.9 Ų12.93%0.0328%0.075CC..Hα-helixtrans-63.3-43.5178.5-167.943000111.8D78 F203 M205 H211 L264D78-N207 PolarHBondContact OD2-ND2 3.27Å; F203-N207 HydrophobicContact CE1-CB 4.19Å; F203-N207 HydrophobicContact CZ-CB 4.22Å; F203-N207 WeakPolarHBondContact O-CB 3.39Å; F203-N207 PolarHBondContact O-N 3.11Å; M205-N207 VanDerWaalsContact C-N 3.27Å; M205-N207 PolarHBondContact O-N 3.47Å; N207-H211 PolarHBondContact O-CD2 3.48Å; N207-H211 PolarHBondContact O-N 3.18Å; N207-H211 VanDerWaalsContact O-N 3.15Å; N207-L264 WeakPolarHBondContact OD1-CD2 3.47Å
208V95.1Very high93Very high0 Ų014.2 Ų14.20%08%0.084CC..Hα-helixtrans-69.4-42.8177.5175.90000111.6I69 I72 A73 T76 D78 L82 I90 A204 M205 Q206 F210 H211 A212I69-V208 HydrophobicContact CG2-CG1 4.15Å; I72-V208 HydrophobicContact CG2-CG1 4.12Å; A73-V208 HydrophobicContact CB-CG1 4.44Å; A73-V208 HydrophobicContact CB-CG2 4.03Å; T76-V208 HydrophobicContact CG2-CG2 4.44Å; D78-V208 HydrophobicContact CB-CG2 4.13Å; L82-V208 HydrophobicContact CD1-CG2 3.74Å; I90-V208 HydrophobicContact CD1-CB 4.02Å; I90-V208 HydrophobicContact CD1-CG1 3.97Å; I90-V208 HydrophobicContact CG2-CG1 4.2Å; A204-V208 PolarHBondContact O-N 3.06Å; M205-V208 PolarHBondContact O-N 3.46Å; M205-V208 VanDerWaalsContact O-N 3.16Å; Q206-V208 PolarHBondContact O-N 2.9Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 2.98Å; V208-H211 PolarHBondContact O-N 3.17Å; V208-A212 VanDerWaalsContact O-CB 3.24Å; V208-A212 WeakPolarHBondContact O-CB 3.08Å; V208-A212 PolarHBondContact O-N 2.64Å
209L95.7Very high92.6Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-58.1-45.4175.4-74.6161.1000111.4I90 T93 C198 T200 M205 Q206 H211 A212 G213 L214 I216I90-L209 HydrophobicContact CB-CD2 4.48Å; I90-L209 HydrophobicContact CG1-CD2 4.23Å; I90-L209 HydrophobicContact CG1-CG 4.17Å; I90-L209 HydrophobicContact CG2-CD2 3.98Å; I90-L209 HydrophobicContact CG2-CG 4.4Å; T93-L209 HydrophobicContact CG2-CD2 4.45Å; T93-L209 WeakPolarHBondContact OG1-CD2 3.36Å; C198-L209 HydrophobicContact CB-CD1 3.53Å; C198-L209 HydrophobicContact CB-CD2 3.8Å; C198-L209 HydrophobicContact CB-CG 4.33Å; T200-L209 HydrophobicContact CG2-CD1 3.87Å; M205-L209 HydrophobicContact CB-CD1 4.48Å; M205-L209 WeakPolarHBondContact O-CB 3.26Å; M205-L209 WeakPolarHBondContact O-CD1 3.48Å; M205-L209 VanDerWaalsContact O-CG 3.31Å; M205-L209 WeakPolarHBondContact O-CG 3.39Å; M205-L209 PolarHBondContact O-N 3.03Å; Q206-L209 PolarHBondContact O-N 3.47Å; L209-H211 PolarHBondContact O-N 2.94Å; L209-A212 CarbonylContact O-C 3.51Å; L209-A212 PolarHBondContact O-N 2.81Å; L209-G213 PolarHBondContact O-N 3.48Å; L209-G213 VanDerWaalsContact O-N 3.14Å; L209-L214 HydrophobicContact CB-CB 4.5Å; L209-L214 HydrophobicContact CD2-CB 3.97Å; L209-L214 HydrophobicContact CD2-CD1 3.84Å; L209-L214 PolarHBondContact O-N 2.96Å; L209-I216 HydrophobicContact CB-CD1 3.99Å; L209-I216 HydrophobicContact CB-CG1 3.77Å; L209-I216 HydrophobicContact CD1-CG1 4.22Å
210F94.5Very high91.9Very high7 Ų720.1 Ų20.13%0.03112%0.115CC..Hα-helixtrans-60.4-47.1178.7-178.7-89.8000112K107 Q206 V208 A212 G213 I216 R225 P227 L264 H265K107-F210 HydrophobicContact CD-CD1 4.06Å; K107-F210 HydrophobicContact CD-CE1 3.7Å; K107-F210 HydrophobicContact CD-CZ 3.99Å; K107-F210 WeakPolarHBondContact CD-O 3.1Å; K107-F210 VanDerWaalsContact NZ-CZ 3.34Å; Q206-F210 VanDerWaalsContact O-CB 3.23Å; Q206-F210 WeakPolarHBondContact O-CB 3.3Å; Q206-F210 PolarHBondContact O-N 3.45Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 2.98Å; F210-A212 VanDerWaalsContact C-N 3.33Å; F210-G213 PolarHBondContact O-N 3.2Å; F210-G213 VanDerWaalsContact O-N 3.13Å; F210-I216 HydrophobicContact CB-CD1 4.11Å; F210-R225 WeakPolarHBondContact CE2-O 3.5Å; F210-P227 HydrophobicContact CD2-CG 4.31Å; F210-P227 HydrophobicContact CG-CG 4.48Å; F210-L264 HydrophobicContact CB-CD2 4.13Å; F210-L264 HydrophobicContact CD1-CD2 3.28Å; F210-L264 HydrophobicContact CD1-CG 4.03Å; F210-L264 HydrophobicContact CD2-CD2 4.33Å; F210-L264 HydrophobicContact CE1-CD1 4.4Å; F210-L264 HydrophobicContact CE1-CD2 3.6Å; F210-L264 HydrophobicContact CE1-CG 3.8Å; F210-L264 HydrophobicContact CG-CD2 3.66Å; F210-L264 HydrophobicContact CZ-CD2 4.22Å; F210-L264 HydrophobicContact CZ-CG 4.19Å; F210-H265 VanDerWaalsContact CZ-O 3.28Å; F210-H265 WeakPolarHBondContact CZ-O 3.33Å
211H93.6Very high91.4Very high7 Ų720.8 Ų20.83%0.03212%0.123CC..Hα-helixtrans-72-26.3177.3-75.6-67.1000113.3I72 T76 K107 E108 V109 N207 V208 L209 G213I72-H211 HydrophobicContact CG2-CB 4.18Å; T76-H211 HydrophobicContact CG2-CB 4.05Å; K107-H211 PolarHBondContact N-O 3.25Å; E108-H211 PolarHBondContact O-CE1 3.36Å; E108-H211 VanDerWaalsContact O-CE1 3.23Å; E108-H211 PolarHBondContact O-ND1 3.49Å; V109-H211 HydrophobicContact CG2-CB 4.05Å; N207-H211 PolarHBondContact O-CD2 3.48Å; N207-H211 PolarHBondContact O-N 3.18Å; N207-H211 VanDerWaalsContact O-N 3.15Å; V208-H211 PolarHBondContact O-N 3.17Å; L209-H211 PolarHBondContact O-N 2.94Å; H211-G213 PolarHBondContact O-N 3.34Å
212A94.4Very high91.1Very high0 Ų019.8 Ų19.80%012%0.115CC..THydrogen-bonded Turntrans-72.5-7.9170.100000113.2I69 I72 P104 V208 L209 F210 L214I69-A212 HydrophobicContact CD1-CB 4.31Å; I72-A212 HydrophobicContact CD1-CB 3.9Å; P104-A212 WeakPolarHBondContact CB-O 3.39Å; V208-A212 VanDerWaalsContact O-CB 3.24Å; V208-A212 WeakPolarHBondContact O-CB 3.08Å; V208-A212 PolarHBondContact O-N 2.64Å; L209-A212 CarbonylContact O-C 3.51Å; L209-A212 PolarHBondContact O-N 2.81Å; F210-A212 VanDerWaalsContact C-N 3.33Å; A212-L214 VanDerWaalsContact C-N 3.34Å; A212-L214 HydrophobicContact CB-CD1 3.88Å; A212-L214 HydrophobicContact CB-CG 4.01Å
213G93Very high90.9Very high21 Ų2119.8 Ų19.822%0.21611%0.11CC..THydrogen-bonded Turntrans73.527-17800000113.2K105 L209 F210 H211K105-G213 WeakPolarHBondContact O-CA 3.3Å; L209-G213 PolarHBondContact O-N 3.48Å; L209-G213 VanDerWaalsContact O-N 3.14Å; F210-G213 PolarHBondContact O-N 3.2Å; F210-G213 VanDerWaalsContact O-N 3.13Å; H211-G213 PolarHBondContact O-N 3.34Å
214L94Very high90.8Very high8 Ų819.6 Ų19.64%0.04211%0.11CC..  trans-103.4146.3-178.8-61171.9000110.4T93 H97 P104 L209 A212T93-L214 WeakPolarHBondContact OG1-CD1 3.43Å; H97-L214 HydrophobicContact CB-CD2 3.5Å; H97-L214 VanDerWaalsContact CB-CD2 3.5Å; P104-L214 HydrophobicContact CB-CD2 4.04Å; P104-L214 HydrophobicContact CG-CD2 4.19Å; L209-L214 HydrophobicContact CB-CB 4.5Å; L209-L214 HydrophobicContact CD2-CB 3.97Å; L209-L214 HydrophobicContact CD2-CD1 3.84Å; L209-L214 PolarHBondContact O-N 2.96Å; A212-L214 VanDerWaalsContact C-N 3.34Å; A212-L214 HydrophobicContact CB-CD1 3.88Å; A212-L214 HydrophobicContact CB-CG 4.01Å
215D92.7Very high90.6Very high32 Ų3224.5 Ų24.517%0.17113%0.128CC..EExtended strand (participates in β ladder)trans-77142.3179.8-73.1-34.6000112.4A197 C198 R223A197-D215 CarbonylContact C-O 3.59Å; A197-D215 VanDerWaalsContact CA-O 3.24Å; A197-D215 WeakPolarHBondContact CA-O 3.47Å; A197-D215 HydrophobicContact CB-CB 3.91Å; A197-D215 WeakPolarHBondContact CB-O 3.42Å; C198-D215 PolarHBondContact N-O 3.18Å; D215-R223 VanDerWaalsContact CG-NH2 3.31Å; D215-R223 IonicContact OD1-CZ 3.73Å; D215-R223 IonicContact OD1-NE 3.58Å; D215-R223 PolarHBondContact OD1-NE 2.93Å; D215-R223 IonicContact OD1-NH2 3.14Å; D215-R223 PolarHBondContact OD1-NH2 3.22Å; D215-R223 IonicContact OD2-CZ 3.33Å; D215-R223 IonicContact OD2-NE 3.61Å; D215-R223 IonicContact OD2-NH2 2.89Å; D215-R223 PolarHBondContact OD2-NH2 3.43Å
216I93.1Very high90.3Very high3 Ų326.4 Ų26.42%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-118.4129.5-177.1-53.1167.1000107T200 Q206 L209 F210 R223 I224T200-I216 HydrophobicContact CG2-CG2 4.5Å; Q206-I216 HydrophobicContact CB-CD1 3.99Å; Q206-I216 HydrophobicContact CG-CD1 4.44Å; Q206-I216 HydrophobicContact CG-CG2 3.86Å; Q206-I216 VanDerWaalsContact O-CD1 3.23Å; Q206-I216 WeakPolarHBondContact O-CD1 3.37Å; L209-I216 HydrophobicContact CB-CD1 3.99Å; L209-I216 HydrophobicContact CB-CG1 3.77Å; L209-I216 HydrophobicContact CD1-CG1 4.22Å; F210-I216 HydrophobicContact CB-CD1 4.11Å; I216-R223 WeakPolarHBondContact O-CA 3.47Å; I216-I224 HydrophobicContact CB-CB 4.23Å; I216-I224 HydrophobicContact CG2-CB 4.23Å; I216-I224 HydrophobicContact CG2-CD1 3.83Å; I216-I224 HydrophobicContact CG2-CG1 4.25Å; I216-I224 PolarHBondContact O-N 3.46Å
217V90.9Very high90Very high2 Ų225.6 Ų25.61%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-115.5134.8179174.60000109.2F26 I188 A197 C198 L199 L222F26-V217 HydrophobicContact CE1-CG1 3.94Å; I188-V217 HydrophobicContact CD1-CG2 3.99Å; A197-V217 HydrophobicContact CB-CB 4.29Å; A197-V217 HydrophobicContact CB-CG2 3.4Å; A197-V217 VanDerWaalsContact CB-CG2 3.4Å; C198-V217 PolarHBondContact O-N 2.81Å; L199-V217 HydrophobicContact CD1-CB 4.19Å; L199-V217 HydrophobicContact CD1-CG1 3.74Å; V217-L222 WeakPolarHBondContact CA-O 2.93Å
218S88.1Confident89.8Confident30 Ų3030 Ų3021%0.2115%0.149CC..  trans-75.7163.3172.2-175.80000110.4L199 N220 G221 L222L199-S218 WeakPolarHBondContact CD1-O 3.3Å; S218-N220 PolarHBondContact O-N 3.18Å; S218-G221 PolarHBondContact O-N 3.38Å; S218-L222 PolarHBondContact N-O 2.96Å
219I85.7Confident89.5Confident31 Ų3131.1 Ų31.116%0.15916%0.156CC..THydrogen-bonded Turntrans-49.4-26.9175.3-72.9154.1000113.6K19 T21 F26 T201K19-I219 HydrophobicContact CD-CD1 3.39Å; K19-I219 HydrophobicContact CD-CG1 4.34Å; T21-I219 HydrophobicContact CG2-CB 4.31Å; T21-I219 HydrophobicContact CG2-CG1 4.34Å; T21-I219 HydrophobicContact CG2-CG2 3.3Å; F26-I219 WeakPolarHBondContact CZ-O 3.21Å; T201-I219 HydrophobicContact CG2-CD1 3.28Å; T201-I219 HydrophobicContact CG2-CG1 3.92Å
220N79.7Confident89.2Confident93 Ų9334.1 Ų34.150%0.49717%0.17SC..THydrogen-bonded Turntrans-91.61.4-176.9-59.3-0.1000113.7M172 S218M172-N220 WeakPolarHBondContact CG-ND2 3.46Å; S218-N220 PolarHBondContact O-N 3.18Å
221G81.6Confident89Confident17 Ų1734.2 Ų34.218%0.17517%0.17CC..SBendtrans86.75.6-177.400000115.7I188 S218I188-G221 VanDerWaalsContact CD1-O 3.26Å; I188-G221 WeakPolarHBondContact CD1-O 3Å; S218-G221 PolarHBondContact O-N 3.38Å
222L84.2Confident88.9Confident44 Ų4434.8 Ų34.823%0.2317%0.174CC..  trans-87.8139.8175.7-59.3172.8000110.8M172 L185 E186 P187 V217 S218M172-L222 HydrophobicContact SD-CD1 4.41Å; L185-L222 HydrophobicContact CB-CB 4.17Å; L185-L222 HydrophobicContact CB-CD1 4.11Å; L185-L222 HydrophobicContact CD1-CD1 4.17Å; L185-L222 HydrophobicContact CD2-CB 3.99Å; E186-L222 CarbonylContact O-C 3.53Å; E186-L222 WeakPolarHBondContact O-CA 3.46Å; P187-L222 HydrophobicContact CB-CD2 4.5Å; V217-L222 WeakPolarHBondContact CA-O 2.93Å; S218-L222 PolarHBondContact N-O 2.96Å
223R88.6Confident88.7Confident62 Ų6235.2 Ų35.223%0.23418%0.176CC..EExtended strand (participates in β ladder)trans-73.7130.5174-176-179.3-175.6176.13.5109.7L185 E186 I188 E192 D215 I216L185-R223 WeakPolarHBondContact CA-O 3.36Å; E186-R223 PolarHBondContact N-O 3.05Å; E186-R223 PolarHBondContact O-N 3.23Å; I188-R223 HydrophobicContact CG1-CB 4.21Å; E192-R223 IonicContact OE1-NH1 2.66Å; E192-R223 IonicContact OE2-NH1 2.54Å; E192-R223 PolarHBondContact OE2-NH1 3.49Å; E192-R223 VanDerWaalsContact OE2-NH1 3.09Å; D215-R223 VanDerWaalsContact CG-NH2 3.31Å; D215-R223 IonicContact OD1-CZ 3.73Å; D215-R223 IonicContact OD1-NE 3.58Å; D215-R223 PolarHBondContact OD1-NE 2.93Å; D215-R223 IonicContact OD1-NH2 3.14Å; D215-R223 PolarHBondContact OD1-NH2 3.22Å; D215-R223 IonicContact OD2-CZ 3.33Å; D215-R223 IonicContact OD2-NE 3.61Å; D215-R223 IonicContact OD2-NH2 2.89Å; D215-R223 PolarHBondContact OD2-NH2 3.43Å; I216-R223 WeakPolarHBondContact O-CA 3.47Å
224I88.2Confident88.6Confident24 Ų2434.2 Ų34.212%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-88.7108.9177.1-54-176.7000108.6L185 I216 P227L185-I224 HydrophobicContact CD2-CG1 3.86Å; I216-I224 HydrophobicContact CB-CB 4.23Å; I216-I224 HydrophobicContact CG2-CB 4.23Å; I216-I224 HydrophobicContact CG2-CD1 3.83Å; I216-I224 HydrophobicContact CG2-CG1 4.25Å; I216-I224 PolarHBondContact O-N 3.46Å; I224-P227 HydrophobicContact CG2-CB 4.37Å
225R86.8Confident88.3Confident107 Ų10735.1 Ų35.140%0.40417%0.172SC..SBendtrans-74.3-45.6174.2-82-165.4162.4161.710.7112.4L184 E186 F210L184-R225 PolarHBondContact O-N 3.08Å; E186-R225 HydrophobicContact CG-CG 4.13Å; E186-R225 WeakPolarHBondContact OE1-CD 3.47Å; E186-R225 WeakPolarHBondContact OE1-CG 3.25Å; E186-R225 IonicContact OE1-CZ 2.9Å; E186-R225 IonicContact OE1-NE 3.53Å; E186-R225 PolarHBondContact OE1-NE 3.16Å; E186-R225 IonicContact OE1-NH1 3.99Å; E186-R225 IonicContact OE1-NH2 2.77Å; E186-R225 PolarHBondContact OE1-NH2 3.16Å; E186-R225 IonicContact OE2-CZ 3.12Å; E186-R225 IonicContact OE2-NE 3.63Å; E186-R225 IonicContact OE2-NH1 3.73Å; E186-R225 IonicContact OE2-NH2 2.61Å; E186-R225 PolarHBondContact OE2-NH2 3.3Å; F210-R225 WeakPolarHBondContact CE2-O 3.5Å
226Q88.2Confident88.1Confident43 Ų4336.2 Ų36.220%0.20119%0.185CC..SBendtrans-131.3101.3-171.1-73.3-175.21.600108.9L184 R228 T263 L264L184-Q226 HydrophobicContact CD2-CB 3.61Å; L184-Q226 HydrophobicContact CD2-CG 4.4Å; L184-Q226 VanDerWaalsContact CD2-OE1 3.31Å; Q226-R228 PolarHBondContact O-N 2.99Å; Q226-T263 HydrophobicContact CB-CG2 4.41Å; Q226-L264 WeakPolarHBondContact CB-O 3.24Å
227P89.2Confident88Confident1 Ų137.6 Ų37.61%0.00620%0.195CC..  trans-70.2129.1179.526.3-29.6000109.7F203 Q206 F210 I224 L264F203-P227 HydrophobicContact CD2-CB 4.36Å; F203-P227 HydrophobicContact CE2-CB 4.11Å; Q206-P227 HydrophobicContact CB-CB 4.29Å; F210-P227 HydrophobicContact CD2-CG 4.31Å; F210-P227 HydrophobicContact CG-CG 4.48Å; I224-P227 HydrophobicContact CG2-CB 4.37Å; P227-L264 HydrophobicContact CG-CB 3.9Å; P227-L264 HydrophobicContact CG-CD2 3.65Å; P227-L264 HydrophobicContact CG-CG 4.3Å; P227-L264 PolarHBondContact O-N 3.05Å
228R88.3Confident87.9Confident98 Ų9840.1 Ų40.137%0.3721%0.206SC..EExtended strand (participates in β ladder)trans-114.2135.5178.8-170.2178.4-175.8-160.60.1109.7G178 L184 Q226 V262G178-R228 PolarHBondContact O-NH1 3.36Å; G178-R228 VanDerWaalsContact O-NH1 3.13Å; L184-R228 HydrophobicContact CD1-CB 4.38Å; Q226-R228 PolarHBondContact O-N 2.99Å; R228-V262 WeakPolarHBondContact CA-O 3.47Å
229T88.9Confident88.1Confident24 Ų2442.1 Ų42.115%0.14721%0.211CC..EExtended strand (participates in β ladder)trans-145-168-179.2-164.20000111.8F203 L231 P261 V262F203-T229 WeakPolarHBondContact CB-OG1 3.28Å; F203-T229 HydrophobicContact CD1-CG2 3.49Å; F203-T229 VanDerWaalsContact CD1-CG2 3.49Å; F203-T229 HydrophobicContact CD2-CG2 3.59Å; F203-T229 HydrophobicContact CE1-CG2 3.32Å; F203-T229 HydrophobicContact CE2-CG2 3.37Å; F203-T229 HydrophobicContact CG-CG2 3.61Å; F203-T229 VanDerWaalsContact CG-OG1 3.31Å; F203-T229 WeakPolarHBondContact CG-OG1 3.48Å; F203-T229 HydrophobicContact CZ-CG2 3.23Å; T229-L231 HydrophobicContact CG2-CD2 4.41Å; T229-P261 CarbonylContact O-C 3.52Å; T229-P261 WeakPolarHBondContact O-CA 3.28Å; T229-V262 HydrophobicContact CG2-CB 4.4Å; T229-V262 PolarHBondContact N-O 3.4Å; T229-V262 PolarHBondContact O-N 3.48Å
230H89.4Confident88.4Confident63 Ų6341.4 Ų41.429%0.29221%0.208SC..EExtended strand (participates in β ladder)trans-126.3139.1163.5-48.1-100.9000111.8R259 I260 P261H230-R259 HydrophobicContact CB-CG 3.46Å; H230-R259 VanDerWaalsContact CB-CG 3.46Å; H230-R259 VanDerWaalsContact CB-NE 3.3Å; H230-R259 PolarHBondContact CD2-NE 3.31Å; H230-R259 VanDerWaalsContact CD2-NE 3.35Å; H230-R259 PolarHBondContact CD2-NH2 3.41Å; H230-R259 PolarHBondContact ND1-NE 3.21Å; H230-R259 PolarHBondContact NE2-NH2 3.07Å; H230-I260 CarbonylContact C-O 3.59Å; H230-I260 WeakPolarHBondContact CA-O 3.12Å; H230-I260 WeakPolarHBondContact CB-O 3.32Å; H230-P261 WeakPolarHBondContact ND1-CA 3.19Å
231L90.5Very high88.8Confident8 Ų837.8 Ų37.84%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-106.5160.9169-60.3-176.8000109.8L112 T229 K242 R259 I260 V262 F272L112-L231 HydrophobicContact CD2-CD1 3.95Å; T229-L231 HydrophobicContact CG2-CD2 4.41Å; L231-K242 HydrophobicContact CD2-CB 4.37Å; L231-K242 HydrophobicContact CD2-CG 4.11Å; L231-R259 CarbonylContact O-C 3.48Å; L231-R259 WeakPolarHBondContact O-CA 3.42Å; L231-I260 PolarHBondContact N-O 3.25Å; L231-I260 PolarHBondContact O-N 3.38Å; L231-V262 HydrophobicContact CB-CG2 4.09Å; L231-V262 HydrophobicContact CD1-CB 4.49Å; L231-V262 HydrophobicContact CD1-CG1 4.47Å; L231-V262 HydrophobicContact CD1-CG2 3.91Å; L231-V262 HydrophobicContact CG-CB 4.37Å; L231-V262 HydrophobicContact CG-CG2 3.79Å; L231-F272 HydrophobicContact CD1-CE1 4.2Å
232L91.1Very high89.1Confident20 Ų2038.6 Ų38.611%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-98.9141168.8-60.6-178000109.4P240 T241 R243 T246 L257 R258 R259L232-P240 CarbonylContact O-C 3.58Å; L232-P240 WeakPolarHBondContact O-CA 3.42Å; L232-T241 HydrophobicContact CB-CG2 3.61Å; L232-T241 PolarHBondContact N-O 3.19Å; L232-T241 VanDerWaalsContact N-O 3.1Å; L232-T241 PolarHBondContact O-N 3.45Å; L232-T241 VanDerWaalsContact O-O 3.11Å; L232-R243 WeakPolarHBondContact CD1-O 3.47Å; L232-T246 VanDerWaalsContact CD1-O 3.27Å; L232-T246 WeakPolarHBondContact CD1-O 3.43Å; L232-L257 HydrophobicContact CB-CB 4.36Å; L232-L257 HydrophobicContact CB-CD1 4.45Å; L232-L257 HydrophobicContact CB-CD2 4.29Å; L232-L257 HydrophobicContact CD1-CB 4.37Å; L232-L257 HydrophobicContact CD1-CD1 3.93Å; L232-R258 CarbonylContact C-O 3.52Å; L232-R258 WeakPolarHBondContact CA-O 3.31Å; L232-R259 HydrophobicContact CD2-CB 3.87Å; L232-R259 HydrophobicContact CD2-CG 4.39Å
233W91.4Very high89.1Confident9 Ų941.7 Ų41.73%0.03420%0.196CC..EExtended strand (participates in β ladder)trans-129.9148.217177.5-64.1000110.6L116 A120 F238 L257 R258 I260 F274 F278L116-W233 HydrophobicContact CB-CE3 4.41Å; L116-W233 HydrophobicContact CD1-CB 3.84Å; A120-W233 HydrophobicContact CB-CH2 3.76Å; A120-W233 HydrophobicContact CB-CZ2 4.38Å; A120-W233 HydrophobicContact CB-CZ3 4.07Å; W233-F238 HydrophobicContact CE3-CD1 4.35Å; W233-F238 AromaticContact CZ3-CD1 3.73Å; W233-F238 HydrophobicContact CZ3-CD1 3.73Å; W233-F238 HydrophobicContact CZ3-CE1 4.22Å; W233-L257 CarbonylContact O-C 3.58Å; W233-L257 VanDerWaalsContact O-CA 3.3Å; W233-L257 WeakPolarHBondContact O-CA 3.49Å; W233-R258 PolarHBondContact N-O 3.29Å; W233-R258 PolarHBondContact O-N 2.92Å; W233-I260 HydrophobicContact CB-CD1 3.84Å; W233-I260 HydrophobicContact CD2-CD1 3.92Å; W233-I260 HydrophobicContact CG-CD1 3.3Å; W233-I260 HydrophobicContact CG-CG1 4.15Å; W233-I260 VanDerWaalsContact NE1-CD1 3.31Å; W233-F274 HydrophobicContact CD2-CE1 4.45Å; W233-F274 HydrophobicContact CZ2-CE1 4.47Å; W233-F278 HydrophobicContact CH2-CD1 4.5Å; W233-F278 HydrophobicContact CH2-CE1 4.11Å; W233-F278 HydrophobicContact CZ2-CD1 4.36Å; W233-F278 AromaticContact CZ2-CE1 3.95Å; W233-F278 HydrophobicContact CZ2-CE1 3.95Å; W233-F278 HydrophobicContact CZ2-CE2 4.47Å; W233-F278 HydrophobicContact CZ2-CZ 4.01Å
234C90.9Very high89Confident0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-88.8122.4179.8-176.10000111.1A236 C237 F238 K239 C249 C252 S256 L257C234-A236 PolarHBondContact O-N 3.05Å; C234-A236 PolarHBondContact SG-N 2.86Å; C234-C237 WeakPolarHBondContact CB-SG 3.47Å; C234-C237 PolarHBondContact SG-N 3.15Å; C234-C237 VanDerWaalsContact SG-N 3.39Å; C234-C237 PolarHBondContact SG-SG 2.96Å; C234-F238 WeakPolarHBondContact O-CA 3.38Å; C234-F238 PolarHBondContact O-N 2.88Å; C234-K239 PolarHBondContact N-O 3.31Å; C234-C249 HydrophobicContact CB-CB 4.07Å; C234-C252 PolarHBondContact SG-SG 2.97Å; C234-S256 PolarHBondContact SG-OG 3.13Å; C234-L257 HydrophobicContact CB-CD2 4.06Å
235C87.6Confident88.7Confident27 Ų2748.3 Ų48.318%0.18224%0.24CC..THydrogen-bonded Turntrans-71.8-15.3175.4-59.60000113.7F238 S256 R258 F278C235-F238 WeakPolarHBondContact O-CE1 3.31Å; C235-S256 PolarHBondContact N-O 2.84Å; C235-R258 WeakPolarHBondContact SG-CD 3.29Å; C235-R258 PolarHBondContact SG-NE 3.43Å; C235-F278 VanDerWaalsContact SG-CZ 3.59Å
236A87.7Confident88.7Confident55 Ų5544.9 Ų44.946%0.45523%0.231SC..THydrogen-bonded Turntrans-89.2-50.2179.300000112.5C234 S256C234-A236 PolarHBondContact O-N 3.05Å; C234-A236 PolarHBondContact SG-N 2.86Å; A236-S256 WeakPolarHBondContact CB-OG 3.46Å
237C90.8Very high88.6Confident31 Ų3149.6 Ų49.621%0.20925%0.249CC..THydrogen-bonded Turntrans-104.3-1.4-178.172.80000114.3C234 K239 C252C234-C237 WeakPolarHBondContact CB-SG 3.47Å; C234-C237 PolarHBondContact SG-N 3.15Å; C234-C237 VanDerWaalsContact SG-N 3.39Å; C234-C237 PolarHBondContact SG-SG 2.96Å; C237-K239 PolarHBondContact O-N 3.46Å; C237-C252 HydrophobicContact CB-CB 4.02Å
238F90.3Very high88.7Confident56 Ų5650.7 Ų50.725%0.24625%0.253CS..  trans64.15176.6-54.3-52.1000116.9L116 G117 R121 W233 C234 C235L116-F238 PolarHBondContact N-O 3.39Å; G117-F238 VanDerWaalsContact CA-CD1 3.41Å; R121-F238 VanDerWaalsContact NH2-CE2 3.31Å; W233-F238 HydrophobicContact CE3-CD1 4.35Å; W233-F238 AromaticContact CZ3-CD1 3.73Å; W233-F238 HydrophobicContact CZ3-CD1 3.73Å; W233-F238 HydrophobicContact CZ3-CE1 4.22Å; C234-F238 WeakPolarHBondContact O-CA 3.38Å; C234-F238 PolarHBondContact O-N 2.88Å; C235-F238 WeakPolarHBondContact O-CE1 3.31Å
239K90.9Very high88.9Confident72 Ų7246.1 Ų46.131%0.31324%0.236SC..  trans-81.5134.6178.2-67-179.7176.7-175.10112.2S114 C234 C237 W251S114-K239 WeakPolarHBondContact O-CA 3.42Å; S114-K239 WeakPolarHBondContact O-CG 3.45Å; C234-K239 PolarHBondContact N-O 3.31Å; C237-K239 PolarHBondContact O-N 3.46Å; K239-W251 HydrophobicContact CB-CG 4.21Å; K239-W251 HydrophobicContact CD-CB 3.76Å; K239-W251 HydrophobicContact CD-CD2 3.66Å; K239-W251 HydrophobicContact CD-CE3 4.28Å; K239-W251 HydrophobicContact CD-CG 3.39Å; K239-W251 HydrophobicContact CG-CG 4.43Å
240P91.3Very high88.9Confident16 Ų1648.4 Ų48.410%0.10425%0.251CS..EExtended strand (participates in β ladder)trans-71.8159.9166.722.6-24.9000113L112 P113 L116 L232L112-P240 HydrophobicContact CB-CG 4.34Å; L112-P240 HydrophobicContact CD2-CB 4.12Å; L112-P240 HydrophobicContact CD2-CG 4.09Å; P113-P240 VanDerWaalsContact O-CD 3.32Å; P113-P240 WeakPolarHBondContact O-CD 3.24Å; P113-P240 VanDerWaalsContact O-CG 3.29Å; P113-P240 WeakPolarHBondContact O-CG 3.31Å; L116-P240 HydrophobicContact CD1-CB 3.56Å; L116-P240 HydrophobicContact CD1-CG 3.83Å; L116-P240 HydrophobicContact CG-CB 4.4Å; L116-P240 HydrophobicContact CG-CG 4.13Å; L232-P240 CarbonylContact O-C 3.58Å; L232-P240 WeakPolarHBondContact O-CA 3.42Å
241T88.7Confident89Confident16 Ų1653.2 Ų53.210%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-141.1140.1165.1-175.20000109.8L232 R243 L257L232-T241 HydrophobicContact CB-CG2 3.61Å; L232-T241 PolarHBondContact N-O 3.19Å; L232-T241 VanDerWaalsContact N-O 3.1Å; L232-T241 PolarHBondContact O-N 3.45Å; L232-T241 VanDerWaalsContact O-O 3.11Å; T241-R243 PolarHBondContact OG1-N 3.2Å; T241-L257 HydrophobicContact CG2-CD1 4.14Å; T241-L257 HydrophobicContact CG2-CD2 3.96Å
242K87.5Confident89.1Confident35 Ų3554.9 Ų54.915%0.15228%0.279CS..SBendtrans-82.5-18176.5-60.9-168171.7-169.50113.5T76 D78 L112 L231 T244T76-K242 PolarHBondContact O-NZ 3.24Å; D78-K242 WeakPolarHBondContact OD1-CD 3.47Å; D78-K242 WeakPolarHBondContact OD1-CE 3.44Å; D78-K242 IonicContact OD1-NZ 3.15Å; D78-K242 PolarHBondContact OD1-NZ 3.46Å; D78-K242 IonicContact OD2-NZ 3.27Å; D78-K242 PolarHBondContact OD2-NZ 3.31Å; L112-K242 HydrophobicContact CD2-CG 4.31Å; L231-K242 HydrophobicContact CD2-CB 4.37Å; L231-K242 HydrophobicContact CD2-CG 4.11Å; K242-T244 PolarHBondContact O-N 2.84Å; K242-T244 VanDerWaalsContact O-N 3.17Å
243R85.6Confident89.1Confident108 Ų10855.9 Ų55.941%0.40829%0.294SS..  trans-74.3103179.9-67.4-174.1-178.6160.10.6111.1V81 L232 T241 D245 T246V81-R243 HydrophobicContact CG2-CG 4.28Å; L232-R243 WeakPolarHBondContact CD1-O 3.47Å; T241-R243 PolarHBondContact OG1-N 3.2Å; R243-D245 VanDerWaalsContact C-N 3.31Å; R243-D245 WeakPolarHBondContact CB-OD1 3.27Å; R243-T246 HydrophobicContact CB-CG2 3.79Å; R243-T246 PolarHBondContact O-OG1 3.37Å
244T85.3Confident89Confident99 Ų9960.9 Ų60.961%0.60732%0.318SS*.THydrogen-bonded Turntrans-78.5-13.8-177.155.10000113.8K242 T246K242-T244 PolarHBondContact O-N 2.84Å; K242-T244 VanDerWaalsContact O-N 3.17Å; T244-T246 VanDerWaalsContact C-N 3.34Å
245D83.5Confident88.8Confident126 Ų12664 Ų6467%0.67434%0.343SS*.THydrogen-bonded Turntrans-86.6-0.6179.465.1-35.7000113.7R243R243-D245 VanDerWaalsContact C-N 3.31Å; R243-D245 WeakPolarHBondContact CB-OD1 3.27Å
246T85.4Confident88.8Confident35 Ų3564 Ų6422%0.21534%0.344CS..  trans-97.6134.6-177.162.50000112.6L232 R243 T244 L257L232-T246 VanDerWaalsContact CD1-O 3.27Å; L232-T246 WeakPolarHBondContact CD1-O 3.43Å; R243-T246 HydrophobicContact CB-CG2 3.79Å; R243-T246 PolarHBondContact O-OG1 3.37Å; T244-T246 VanDerWaalsContact C-N 3.34Å; T246-L257 WeakPolarHBondContact O-CD1 3.15Å; T246-L257 WeakPolarHBondContact OG1-CD1 3.29Å
247Y86.8Confident88.9Confident143 Ų14362.8 Ų62.856%0.56133%0.329SS*.SBendtrans-94.6-30.3172.2-71.3-88.4000112.7L391Y247-L391 HydrophobicContact CD1-CD1 4.07Å; Y247-L391 HydrophobicContact CG-CD1 4.01Å
248F91Very high88.8Confident23 Ų2365.8 Ų65.810%0.10134%0.336CS..SBendtrans-101.2139.2-179.1-61.9-79.6000110.5P250 G253 A255 L257 I302 Y303 A305 L391F248-P250 WeakPolarHBondContact O-CD 3.29Å; F248-G253 WeakPolarHBondContact CD1-O 3.23Å; F248-A255 HydrophobicContact CD1-CB 3.77Å; F248-A255 HydrophobicContact CE1-CB 3.67Å; F248-L257 WeakPolarHBondContact O-CD1 3.38Å; F248-I302 HydrophobicContact CE2-CG2 3.8Å; F248-I302 HydrophobicContact CZ-CG2 3.82Å; F248-Y303 WeakPolarHBondContact CE1-O 3.33Å; F248-A305 HydrophobicContact CB-CB 4.16Å; F248-A305 HydrophobicContact CD2-CB 3.77Å; F248-A305 HydrophobicContact CG-CB 4.23Å; F248-L391 HydrophobicContact CE2-CD1 4.18Å; F248-L391 HydrophobicContact CZ-CD1 3.92Å
249C91.5Very high88.9Confident3 Ų371.3 Ų71.32%0.0236%0.355CS..  trans-63.8126.8176.6-179.80000110.6C234 W251 C252 G253 H254 L257C234-C249 HydrophobicContact CB-CB 4.07Å; C249-W251 PolarHBondContact O-N 3.46Å; C249-W251 VanDerWaalsContact O-N 3.15Å; C249-W251 PolarHBondContact SG-N 3.44Å; C249-W251 VanDerWaalsContact SG-N 3.45Å; C249-C252 VanDerWaalsContact CB-SG 3.58Å; C249-G253 VanDerWaalsContact O-CA 3.24Å; C249-G253 WeakPolarHBondContact O-CA 3.48Å; C249-G253 PolarHBondContact O-N 3.1Å; C249-H254 PolarHBondContact N-O 3.34Å; C249-L257 HydrophobicContact CB-CD2 4.03Å; C249-L257 HydrophobicContact CB-CG 4.29Å
250P90.3Very high88.8Confident71 Ų7168.2 Ų68.246%0.46134%0.342SS..THydrogen-bonded Turntrans-61.1-24.2177.6-24.534.1000114.1F248F248-P250 WeakPolarHBondContact O-CD 3.29Å
251W91.7Very high88.8Confident165 Ų16569.1 Ų69.163%0.62535%0.348SS*.THydrogen-bonded Turntrans-92.4-42.4-173.3-58.4103.6000113.8K239 C249K239-W251 HydrophobicContact CB-CG 4.21Å; K239-W251 HydrophobicContact CD-CB 3.76Å; K239-W251 HydrophobicContact CD-CD2 3.66Å; K239-W251 HydrophobicContact CD-CE3 4.28Å; K239-W251 HydrophobicContact CD-CG 3.39Å; K239-W251 HydrophobicContact CG-CG 4.43Å; C249-W251 PolarHBondContact O-N 3.46Å; C249-W251 VanDerWaalsContact O-N 3.15Å; C249-W251 PolarHBondContact SG-N 3.44Å; C249-W251 VanDerWaalsContact SG-N 3.45Å
252C92.7Very high88.9Confident42 Ų4268.4 Ų68.428%0.28434%0.344SS..THydrogen-bonded Turntrans-114.6-3.2-177.470.30000114C234 C237 C249 H254C234-C252 PolarHBondContact SG-SG 2.97Å; C237-C252 HydrophobicContact CB-CB 4.02Å; C249-C252 VanDerWaalsContact CB-SG 3.58Å; C252-H254 PolarHBondContact O-N 3.44Å; C252-H254 PolarHBondContact O-ND1 2.68Å
253G90.5Very high89.1Confident41 Ų4167.2 Ų67.242%0.42334%0.339SS..  trans72.6-9.9179.500000115.9F248 C249F248-G253 WeakPolarHBondContact CD1-O 3.23Å; C249-G253 VanDerWaalsContact O-CA 3.24Å; C249-G253 WeakPolarHBondContact O-CA 3.48Å; C249-G253 PolarHBondContact O-N 3.1Å
254H89Confident89.3Confident115 Ų11562.1 Ų62.153%0.53232%0.32SS..  trans-75.4143.4-176.7-67.273.1000112C249 C252 S256C249-H254 PolarHBondContact N-O 3.34Å; C252-H254 PolarHBondContact O-N 3.44Å; C252-H254 PolarHBondContact O-ND1 2.68Å; H254-S256 PolarHBondContact O-N 3.34Å
255A87.8Confident89.6Confident64 Ų6459.9 Ų59.953%0.52930%0.302SS..SBendtrans-75.860.9169.900000111.7F248F248-A255 HydrophobicContact CD1-CB 3.77Å; F248-A255 HydrophobicContact CE1-CB 3.67Å
256S87Confident89.7Confident29 Ų2958.8 Ų58.820%0.20329%0.294CS..  trans-125.320.9-177.260.60000112.8C234 C235 A236 H254C234-S256 PolarHBondContact SG-OG 3.13Å; C235-S256 PolarHBondContact N-O 2.84Å; A236-S256 WeakPolarHBondContact CB-OG 3.46Å; H254-S256 PolarHBondContact O-N 3.34Å
257L89.9Confident89.8Confident28 Ų2862.5 Ų62.515%0.14731%0.312CS..EExtended strand (participates in β ladder)trans-71137.6173.3-68.8-179.8000110.7L232 W233 C234 T241 T246 F248 C249L232-L257 HydrophobicContact CB-CB 4.36Å; L232-L257 HydrophobicContact CB-CD1 4.45Å; L232-L257 HydrophobicContact CB-CD2 4.29Å; L232-L257 HydrophobicContact CD1-CB 4.37Å; L232-L257 HydrophobicContact CD1-CD1 3.93Å; W233-L257 CarbonylContact O-C 3.58Å; W233-L257 VanDerWaalsContact O-CA 3.3Å; W233-L257 WeakPolarHBondContact O-CA 3.49Å; C234-L257 HydrophobicContact CB-CD2 4.06Å; T241-L257 HydrophobicContact CG2-CD1 4.14Å; T241-L257 HydrophobicContact CG2-CD2 3.96Å; T246-L257 WeakPolarHBondContact O-CD1 3.15Å; T246-L257 WeakPolarHBondContact OG1-CD1 3.29Å; F248-L257 WeakPolarHBondContact O-CD1 3.38Å; C249-L257 HydrophobicContact CB-CD2 4.03Å; C249-L257 HydrophobicContact CB-CG 4.29Å
258R89.2Confident89.7Confident94 Ų9455.8 Ų55.836%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-131.9148.8173.2-66.1-163.9-176.9-137.33.2110.2L232 W233 C235 F278L232-R258 CarbonylContact C-O 3.52Å; L232-R258 WeakPolarHBondContact CA-O 3.31Å; W233-R258 PolarHBondContact N-O 3.29Å; W233-R258 PolarHBondContact O-N 2.92Å; C235-R258 WeakPolarHBondContact SG-CD 3.29Å; C235-R258 PolarHBondContact SG-NE 3.43Å; R258-F278 VanDerWaalsContact CD-CZ 3.42Å; R258-F278 VanDerWaalsContact CZ-CE2 3.42Å; R258-F278 VanDerWaalsContact CZ-CZ 3.4Å; R258-F278 VanDerWaalsContact NE-CZ 3.29Å
259R90.6Very high89.5Confident173 Ų17359.6 Ų59.665%0.65330%0.304SS*.EExtended strand (participates in β ladder)trans-84.8130.7179.4-172.1173.6168.9166-5.8110.4H230 L231 L232H230-R259 HydrophobicContact CB-CG 3.46Å; H230-R259 VanDerWaalsContact CB-CG 3.46Å; H230-R259 VanDerWaalsContact CB-NE 3.3Å; H230-R259 PolarHBondContact CD2-NE 3.31Å; H230-R259 VanDerWaalsContact CD2-NE 3.35Å; H230-R259 PolarHBondContact CD2-NH2 3.41Å; H230-R259 PolarHBondContact ND1-NE 3.21Å; H230-R259 PolarHBondContact NE2-NH2 3.07Å; L231-R259 CarbonylContact O-C 3.48Å; L231-R259 WeakPolarHBondContact O-CA 3.42Å; L232-R259 HydrophobicContact CD2-CB 3.87Å; L232-R259 HydrophobicContact CD2-CG 4.39Å
260I89.5Confident89.4Confident7 Ų761.2 Ų61.24%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-123.4130.3173.3-64.4160.9000108.3L116 H230 L231 W233 V262 F272 F274L116-I260 HydrophobicContact CD1-CD1 4.45Å; H230-I260 CarbonylContact C-O 3.59Å; H230-I260 WeakPolarHBondContact CA-O 3.12Å; H230-I260 WeakPolarHBondContact CB-O 3.32Å; L231-I260 PolarHBondContact N-O 3.25Å; L231-I260 PolarHBondContact O-N 3.38Å; W233-I260 HydrophobicContact CB-CD1 3.84Å; W233-I260 HydrophobicContact CD2-CD1 3.92Å; W233-I260 HydrophobicContact CG-CD1 3.3Å; W233-I260 HydrophobicContact CG-CG1 4.15Å; W233-I260 VanDerWaalsContact NE1-CD1 3.31Å; I260-V262 HydrophobicContact CG2-CG2 4.37Å; I260-F272 HydrophobicContact CG2-CB 4.39Å; I260-F274 HydrophobicContact CD1-CD1 3.86Å; I260-F274 HydrophobicContact CD1-CE1 3.26Å; I260-F274 HydrophobicContact CD1-CZ 3.83Å; I260-F274 HydrophobicContact CG1-CD1 4.28Å; I260-F274 HydrophobicContact CG1-CE1 4.17Å
261P91.5Very high89.4Confident35 Ų3562 Ų6223%0.22731%0.31CS..EExtended strand (participates in β ladder)trans-64.9136.2166.6-11.626000111.5T229 H230 H273T229-P261 CarbonylContact O-C 3.52Å; T229-P261 WeakPolarHBondContact O-CA 3.28Å; H230-P261 WeakPolarHBondContact ND1-CA 3.19Å; P261-H273 HydrophobicContact CB-CB 4.12Å; P261-H273 HydrophobicContact CG-CB 4.32Å; P261-H273 WeakPolarHBondContact O-CB 3.45Å; P261-H273 PolarHBondContact O-N 3.04Å
262V90.4Very high89.4Confident1 Ų155.4 Ų55.41%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-131.4132.9-179.8-176.60000109.2R228 T229 L231 I260 L270 E271 F272R228-V262 WeakPolarHBondContact CA-O 3.47Å; T229-V262 HydrophobicContact CG2-CB 4.4Å; T229-V262 PolarHBondContact N-O 3.4Å; T229-V262 PolarHBondContact O-N 3.48Å; L231-V262 HydrophobicContact CB-CG2 4.09Å; L231-V262 HydrophobicContact CD1-CB 4.49Å; L231-V262 HydrophobicContact CD1-CG1 4.47Å; L231-V262 HydrophobicContact CD1-CG2 3.91Å; L231-V262 HydrophobicContact CG-CB 4.37Å; L231-V262 HydrophobicContact CG-CG2 3.79Å; I260-V262 HydrophobicContact CG2-CG2 4.37Å; V262-L270 HydrophobicContact CG1-CB 3.93Å; V262-L270 HydrophobicContact CG1-CD2 3.77Å; V262-L270 HydrophobicContact CG1-CG 4.35Å; V262-E271 VanDerWaalsContact CA-O 3.27Å; V262-E271 WeakPolarHBondContact CA-O 3.38Å; V262-E271 WeakPolarHBondContact CG1-O 3.43Å; V262-F272 HydrophobicContact CG1-CD1 4.33Å; V262-F272 HydrophobicContact CG1-CE1 4.28Å; V262-F272 HydrophobicContact CG2-CD1 3.62Å; V262-F272 HydrophobicContact CG2-CE1 3.96Å
263T91.3Very high89.2Confident9 Ų956.5 Ų56.56%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-110.9135.1175.3-52.50000108.8Q226 L270 E271 H273Q226-T263 HydrophobicContact CB-CG2 4.41Å; T263-L270 WeakPolarHBondContact O-CA 3.43Å; T263-E271 PolarHBondContact N-O 3.2Å; T263-E271 PolarHBondContact O-N 3.11Å; T263-H273 PolarHBondContact OG1-NE2 3.48Å
264L90.6Very high89Confident1 Ų155.7 Ų55.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-98.1117.2173.3-178.367.5000109.5N207 F210 Q226 P227 L270N207-L264 WeakPolarHBondContact OD1-CD2 3.47Å; F210-L264 HydrophobicContact CB-CD2 4.13Å; F210-L264 HydrophobicContact CD1-CD2 3.28Å; F210-L264 HydrophobicContact CD1-CG 4.03Å; F210-L264 HydrophobicContact CD2-CD2 4.33Å; F210-L264 HydrophobicContact CE1-CD1 4.4Å; F210-L264 HydrophobicContact CE1-CD2 3.6Å; F210-L264 HydrophobicContact CE1-CG 3.8Å; F210-L264 HydrophobicContact CG-CD2 3.66Å; F210-L264 HydrophobicContact CZ-CD2 4.22Å; F210-L264 HydrophobicContact CZ-CG 4.19Å; Q226-L264 WeakPolarHBondContact CB-O 3.24Å; P227-L264 HydrophobicContact CG-CB 3.9Å; P227-L264 HydrophobicContact CG-CD2 3.65Å; P227-L264 HydrophobicContact CG-CG 4.3Å; P227-L264 PolarHBondContact O-N 3.05Å; L264-L270 HydrophobicContact CB-CD2 4.13Å; L264-L270 HydrophobicContact CD1-CD2 3.56Å; L264-L270 HydrophobicContact CD1-CG 4.23Å; L264-L270 HydrophobicContact CG-CD2 4.42Å
265H91Very high88.7Confident52 Ų5253.3 Ų53.324%0.24127%0.271CS..  trans-84.2165176.2-66-68.7000112.3F210 D267 G268 Q269 E271F210-H265 VanDerWaalsContact CZ-O 3.28Å; F210-H265 WeakPolarHBondContact CZ-O 3.33Å; H265-D267 PolarHBondContact O-N 3.33Å; H265-G268 PolarHBondContact O-N 2.75Å; H265-Q269 PolarHBondContact N-O 3.37Å; H265-E271 IonicContact CE1-OE2 3.62Å; H265-E271 VanDerWaalsContact NE2-CB 3.34Å; H265-E271 WeakPolarHBondContact NE2-CB 3.41Å; H265-E271 IonicContact NE2-OE2 3.18Å; H265-E271 PolarHBondContact NE2-OE2 3.21Å
266E87Confident88.3Confident104 Ų10458.3 Ų58.349%0.48628%0.281SS..THydrogen-bonded Turntrans-53.8-35.2179.3-66.3-176.1-17300113.4G268E266-G268 PolarHBondContact O-N 2.9Å; E266-G268 VanDerWaalsContact O-N 3.15Å
267D85.9Confident87.8Confident113 Ų11366 Ų6660%0.60431%0.311SS*.THydrogen-bonded Turntrans-73.73.1177.8-59-33.5000114.5K110 H265 Q269K110-D267 PolarHBondContact NZ-O 2.7Å; H265-D267 PolarHBondContact O-N 3.33Å; D267-Q269 HydrophobicContact CB-CG 4.46Å; D267-Q269 PolarHBondContact O-N 3.27Å
268G84.6Confident87.1Confident1 Ų167.2 Ų67.21%0.0132%0.315CS..SBendtrans71.811.2-173.400000114.2H265 E266H265-G268 PolarHBondContact O-N 2.75Å; E266-G268 PolarHBondContact O-N 2.9Å; E266-G268 VanDerWaalsContact O-N 3.15Å
269Q88Confident86.6Confident103 Ų10368 Ų6848%0.48133%0.33SS..PPolyproline II helixtrans-79.2137.3173.3-71.5-177.8-11.700110.7K110 H265 D267K110-Q269 HydrophobicContact CD-CB 4.38Å; K110-Q269 HydrophobicContact CD-CG 3.44Å; K110-Q269 VanDerWaalsContact CD-CG 3.44Å; K110-Q269 VanDerWaalsContact NZ-CG 3.29Å; H265-Q269 PolarHBondContact N-O 3.37Å; D267-Q269 HydrophobicContact CB-CG 4.46Å; D267-Q269 PolarHBondContact O-N 3.27Å
270L89.3Confident85.9Confident38 Ų3862.6 Ų62.620%0.19932%0.318CS..EExtended strand (participates in β ladder)trans-94.6117.2172.1-66.5171.9000109.2L112 V262 T263 L264 F272L112-L270 HydrophobicContact CD1-CD1 3.87Å; L112-L270 HydrophobicContact CG-CD1 3.98Å; V262-L270 HydrophobicContact CG1-CB 3.93Å; V262-L270 HydrophobicContact CG1-CD2 3.77Å; V262-L270 HydrophobicContact CG1-CG 4.35Å; T263-L270 WeakPolarHBondContact O-CA 3.43Å; L264-L270 HydrophobicContact CB-CD2 4.13Å; L264-L270 HydrophobicContact CD1-CD2 3.56Å; L264-L270 HydrophobicContact CD1-CG 4.23Å; L264-L270 HydrophobicContact CG-CD2 4.42Å; L270-F272 HydrophobicContact CB-CE2 4.03Å; L270-F272 HydrophobicContact CB-CZ 3.93Å; L270-F272 HydrophobicContact CD1-CZ 4.4Å; L270-F272 WeakPolarHBondContact O-CD2 3.17Å; L270-F272 WeakPolarHBondContact O-CE2 3.46Å
271E90.1Very high85.5Confident86 Ų8672.8 Ų72.840%0.40236%0.355SS..EExtended strand (participates in β ladder)trans-91.6125.1171.6-174.7-168.5-15600109.6V262 T263 H265 H273V262-E271 VanDerWaalsContact CA-O 3.27Å; V262-E271 WeakPolarHBondContact CA-O 3.38Å; V262-E271 WeakPolarHBondContact CG1-O 3.43Å; T263-E271 PolarHBondContact N-O 3.2Å; T263-E271 PolarHBondContact O-N 3.11Å; H265-E271 IonicContact CE1-OE2 3.62Å; H265-E271 VanDerWaalsContact NE2-CB 3.34Å; H265-E271 WeakPolarHBondContact NE2-CB 3.41Å; H265-E271 IonicContact NE2-OE2 3.18Å; H265-E271 PolarHBondContact NE2-OE2 3.21Å; E271-H273 IonicContact OE1-CE1 2.7Å; E271-H273 IonicContact OE2-CE1 3.52Å; E271-H273 PolarHBondContact OE2-CE1 3.37Å; E271-H273 IonicContact OE2-NE2 2.75Å; E271-H273 PolarHBondContact OE2-NE2 2.72Å
272F90.6Very high85.1Confident28 Ų2881.6 Ų81.612%0.12338%0.384CS..EExtended strand (participates in β ladder)trans-102.5122-178.3-59.8-87.3000110.2P113 L116 L119 L231 I260 V262 L270 F274P113-F272 HydrophobicContact CG-CE2 3.84Å; P113-F272 HydrophobicContact CG-CZ 3.95Å; L116-F272 HydrophobicContact CD1-CD1 4.28Å; L116-F272 HydrophobicContact CD1-CE1 4.1Å; L116-F272 HydrophobicContact CD2-CD1 3.85Å; L116-F272 HydrophobicContact CD2-CD2 3.91Å; L116-F272 HydrophobicContact CD2-CE1 3.76Å; L116-F272 HydrophobicContact CD2-CE2 3.83Å; L116-F272 HydrophobicContact CD2-CG 3.94Å; L116-F272 HydrophobicContact CD2-CZ 3.76Å; L119-F272 HydrophobicContact CD1-CD2 4.46Å; L231-F272 HydrophobicContact CD1-CE1 4.2Å; I260-F272 HydrophobicContact CG2-CB 4.39Å; V262-F272 HydrophobicContact CG1-CD1 4.33Å; V262-F272 HydrophobicContact CG1-CE1 4.28Å; V262-F272 HydrophobicContact CG2-CD1 3.62Å; V262-F272 HydrophobicContact CG2-CE1 3.96Å; L270-F272 HydrophobicContact CB-CE2 4.03Å; L270-F272 HydrophobicContact CB-CZ 3.93Å; L270-F272 HydrophobicContact CD1-CZ 4.4Å; L270-F272 WeakPolarHBondContact O-CD2 3.17Å; L270-F272 WeakPolarHBondContact O-CE2 3.46Å; F272-F274 HydrophobicContact CB-CD2 3.99Å; F272-F274 HydrophobicContact CB-CE2 3.46Å; F272-F274 VanDerWaalsContact CB-CE2 3.46Å; F272-F274 HydrophobicContact CB-CZ 4.12Å; F272-F274 HydrophobicContact CG-CE2 4.29Å; F272-F274 PolarHBondContact O-N 3.12Å
273H89.4Confident84.8Confident64 Ų6492.8 Ų92.830%0.29643%0.426SS..  trans-94.284.4-177.5-66.2-87.5000110.6P261 T263 E271P261-H273 HydrophobicContact CB-CB 4.12Å; P261-H273 HydrophobicContact CG-CB 4.32Å; P261-H273 WeakPolarHBondContact O-CB 3.45Å; P261-H273 PolarHBondContact O-N 3.04Å; T263-H273 PolarHBondContact OG1-NE2 3.48Å; E271-H273 IonicContact OE1-CE1 2.7Å; E271-H273 IonicContact OE2-CE1 3.52Å; E271-H273 PolarHBondContact OE2-CE1 3.37Å; E271-H273 IonicContact OE2-NE2 2.75Å; E271-H273 PolarHBondContact OE2-NE2 2.72Å
274F86.8Confident84.2Confident25 Ų2594.5 Ų94.511%0.1145%0.446CS..  trans-75.8154.9177-67.2-85.1000111.8L116 L119 A120 W233 I260 F272 K276L116-F274 HydrophobicContact CB-CZ 4.09Å; L116-F274 HydrophobicContact CD2-CZ 4.17Å; L119-F274 HydrophobicContact CB-CE2 3.78Å; L119-F274 HydrophobicContact CB-CZ 4.24Å; A120-F274 HydrophobicContact CB-CD1 3.57Å; A120-F274 HydrophobicContact CB-CE1 3.48Å; A120-F274 VanDerWaalsContact CB-CE1 3.48Å; A120-F274 HydrophobicContact CB-CG 4.22Å; A120-F274 HydrophobicContact CB-CZ 4.08Å; W233-F274 HydrophobicContact CD2-CE1 4.45Å; W233-F274 HydrophobicContact CZ2-CE1 4.47Å; I260-F274 HydrophobicContact CD1-CD1 3.86Å; I260-F274 HydrophobicContact CD1-CE1 3.26Å; I260-F274 HydrophobicContact CD1-CZ 3.83Å; I260-F274 HydrophobicContact CG1-CD1 4.28Å; I260-F274 HydrophobicContact CG1-CE1 4.17Å; F272-F274 HydrophobicContact CB-CD2 3.99Å; F272-F274 HydrophobicContact CB-CE2 3.46Å; F272-F274 VanDerWaalsContact CB-CE2 3.46Å; F272-F274 HydrophobicContact CB-CZ 4.12Å; F272-F274 HydrophobicContact CG-CE2 4.29Å; F272-F274 PolarHBondContact O-N 3.12Å; F274-K276 PolarHBondContact O-N 2.7Å
275A82.8Confident83.7Confident64 Ų6499.6 Ų99.653%0.52948%0.477SS..  trans-77.7118.2170.700000109.2K277 F278A275-K277 PolarHBondContact O-N 3.23Å; A275-F278 HydrophobicContact CB-CB 4.47Å; A275-F278 WeakPolarHBondContact O-CB 3.44Å; A275-F278 PolarHBondContact O-N 3.08Å
276K78.1Confident83.4Confident169 Ų169106.8 Ų106.874%0.73551%0.507SS*.THydrogen-bonded Turntrans-46.6-37.2-177.3-63.7-177.8178.9179.60114.6F274F274-K276 PolarHBondContact O-N 2.7Å
277K77.2Confident83Confident191 Ų191104.3 Ų104.383%0.8350%0.496SS*.THydrogen-bonded Turntrans-113.853.6179.4-66.1-176.5-179.5177.90111.7A275 V279A275-K277 PolarHBondContact O-N 3.23Å; K277-V279 PolarHBondContact O-N 3.49Å; K277-V279 VanDerWaalsContact O-N 3.11Å
278F74.6Confident82.9Confident53 Ų53103.5 Ų103.523%0.23250%0.496CS..  trans-73.1104.1178.8-179.6-98.8000112W233 C235 R258 A275 P280W233-F278 HydrophobicContact CH2-CD1 4.5Å; W233-F278 HydrophobicContact CH2-CE1 4.11Å; W233-F278 HydrophobicContact CZ2-CD1 4.36Å; W233-F278 AromaticContact CZ2-CE1 3.95Å; W233-F278 HydrophobicContact CZ2-CE1 3.95Å; W233-F278 HydrophobicContact CZ2-CE2 4.47Å; W233-F278 HydrophobicContact CZ2-CZ 4.01Å; C235-F278 VanDerWaalsContact SG-CZ 3.59Å; R258-F278 VanDerWaalsContact CD-CZ 3.42Å; R258-F278 VanDerWaalsContact CZ-CE2 3.42Å; R258-F278 VanDerWaalsContact CZ-CZ 3.4Å; R258-F278 VanDerWaalsContact NE-CZ 3.29Å; A275-F278 HydrophobicContact CB-CB 4.47Å; A275-F278 WeakPolarHBondContact O-CB 3.44Å; A275-F278 PolarHBondContact O-N 3.08Å; F278-P280 HydrophobicContact CE1-CB 4.39Å; F278-P280 HydrophobicContact CE1-CG 4.46Å; F278-P280 HydrophobicContact CZ-CB 4.37Å
279V78.8Confident82.8Confident111 Ų111108.2 Ų108.267%0.67353%0.525SS*.  trans-117.4118.7168.8-176.20000109.5K277 R281K277-V279 PolarHBondContact O-N 3.49Å; K277-V279 VanDerWaalsContact O-N 3.11Å; V279-R281 PolarHBondContact O-N 3.33Å
280P75.7Confident82.6Confident60 Ų60108.4 Ų108.439%0.3952%0.521SS..  trans-68108.8178.227-32.6000110.1F278 R282F278-P280 HydrophobicContact CE1-CB 4.39Å; F278-P280 HydrophobicContact CE1-CG 4.46Å; F278-P280 HydrophobicContact CZ-CB 4.37Å; P280-R282 PolarHBondContact O-N 3.05Å
281R81.3Confident82.5Confident220 Ų220113.5 Ų113.583%0.8355%0.547SS*.  trans-60.7117.8172.2-65.4-172.3178.5-161.5-0.8109.7V279V279-R281 PolarHBondContact O-N 3.33Å
282R83.1Confident82.4Confident220 Ų220114.4 Ų114.483%0.8356%0.56SS**  trans-86.7-6.6177.3-63.3-176.3179.2-178.9-0.2113.6P280 G284 V285P280-R282 PolarHBondContact O-N 3.05Å; R282-G284 PolarHBondContact O-N 3.29Å; R282-V285 WeakPolarHBondContact O-CB 3.04Å; R282-V285 WeakPolarHBondContact O-CG2 3.1Å; R282-V285 PolarHBondContact O-N 3.06Å
283R83.9Confident82.2Confident237 Ų237120.2 Ų120.289%0.89459%0.586SS**THydrogen-bonded Turntrans-60.2129.3179.3-171.5-177.8-68-176.3-0.8109.9V285R283-V285 VanDerWaalsContact C-N 3.3Å; R283-V285 PolarHBondContact O-N 2.83Å
284G79.2Confident82.1Confident45 Ų45120.8 Ų120.846%0.46461%0.609SS.*THydrogen-bonded Turntrans81.1-1.518000000115.5R282R282-G284 PolarHBondContact O-N 3.29Å
285V80.3Confident82.1Confident107 Ų107122.2 Ų122.265%0.64863%0.631SS**THydrogen-bonded Turntrans-78.1-41.9178.3179.80000111.8R282 R283R282-V285 WeakPolarHBondContact O-CB 3.04Å; R282-V285 WeakPolarHBondContact O-CG2 3.1Å; R282-V285 PolarHBondContact O-N 3.06Å; R283-V285 VanDerWaalsContact C-N 3.3Å; R283-V285 PolarHBondContact O-N 2.83Å
286K83.4Confident82.2Confident203 Ų203127.5 Ų127.588%0.88364%0.642SS**SBendtrans-95.9115.6175.3-68.3-174.2178.5-175.70109.5
287Q79.6Confident82.3Confident53 Ų53125.4 Ų125.425%0.24863%0.63CS.*  trans-142.7150.5177.5-71.1177.3-14.600108.8V289 A387 E388 H389Q287-V289 PolarHBondContact O-N 2.8Å; Q287-A387 VanDerWaalsContact NE2-CB 3.26Å; Q287-A387 PolarHBondContact OE1-O 3.28Å; Q287-E388 PolarHBondContact OE1-O 3.09Å; Q287-H389 HydrophobicContact CB-CB 4.21Å; Q287-H389 VanDerWaalsContact OE1-N 3.12Å
288P83.9Confident82.5Confident95 Ų95117 Ų11762%0.61760%0.596SS**PPolyproline II helixtrans-60.5131.3-179.724.9-33.8000110.7H389P288-H389 PolarHBondContact O-CD2 3.43Å
289V81.8Confident82.6Confident100 Ų100119 Ų11961%0.60661%0.609SS**PPolyproline II helixtrans-91.8125.7-177.3-1780000112.6Q287 Y303 H389Q287-V289 PolarHBondContact O-N 2.8Å; V289-Y303 WeakPolarHBondContact CG1-OH 3.5Å; V289-H389 WeakPolarHBondContact CA-CD2 3.36Å; V289-H389 WeakPolarHBondContact CA-NE2 2.88Å; V289-H389 WeakPolarHBondContact CG2-CD2 3.17Å
290R83.6Confident82.5Confident107 Ų107116.8 Ų116.840%0.40459%0.591SS.*PPolyproline II helixtrans-68.6145.6174.2-69.7-164.9-70.9-116.96.4110.3E388 H389R290-E388 IonicContact CZ-OE1 3.79Å; R290-E388 IonicContact NH1-OE1 3.09Å; R290-E388 PolarHBondContact NH1-OE1 3.15Å; R290-E388 IonicContact NH2-OE1 2.89Å; R290-E388 PolarHBondContact NH2-OE1 2.97Å; R290-E388 IonicContact NH2-OE2 2.97Å; R290-H389 PolarHBondContact N-NE2 3.3Å
291I87.7Confident82.7Confident145 Ų145114.3 Ų114.374%0.74458%0.576SS**PPolyproline II helixtrans-57.4129.9172.3-58.4168.5000108.3
292P88.1Confident82.8Confident105 Ų105104.9 Ų104.968%0.68254%0.541SS*.PPolyproline II helixtrans-60.6138.3-179.524.4-33.6000110.9E300P292-E300 WeakPolarHBondContact CA-OE1 3.29Å; P292-E300 WeakPolarHBondContact CB-OE1 3.47Å
293K86.4Confident82.9Confident151 Ų15199.1 Ų99.166%0.65752%0.52SS*.  trans-126.1125.6-177.9-68.1-175.9-178.1-178.30109.4A298 E300K293-A298 WeakPolarHBondContact O-CB 3.34Å; K293-E300 PolarHBondContact N-OE1 3Å
294G87.5Confident83Confident76 Ų7690.1 Ų90.178%0.78449%0.493SS*.  trans-83.6178.6169.500000113.4
295G87.2Confident83.4Confident55 Ų5591.8 Ų91.857%0.56750%0.502SS*.SBendtrans113.3173.817100000114.4Y297 A298 P310G295-Y297 PolarHBondContact O-N 3.09Å; G295-A298 PolarHBondContact O-N 3.36Å; G295-P310 VanDerWaalsContact O-CG 3.31Å; G295-P310 WeakPolarHBondContact O-CG 3.42Å
296K84.5Confident83.7Confident174 Ų17493 Ų9376%0.75751%0.505SS*.THydrogen-bonded Turntrans-64.2-22.1-175.7-64.9-180-178.3175.70113.9
297Y80.9Confident83.8Confident126 Ų12684.9 Ų84.949%0.49447%0.47SS..THydrogen-bonded Turntrans-11510.7-174.9-54.9-66.6000113.1G295 D299 R364G295-Y297 PolarHBondContact O-N 3.09Å; Y297-D299 PolarHBondContact O-N 3Å; Y297-R364 VanDerWaalsContact OH-CZ 3.3Å; Y297-R364 PolarHBondContact OH-NE 2.94Å; Y297-R364 PolarHBondContact OH-NH2 3.42Å
298A80.6Confident84.1Confident13 Ų1393.7 Ų93.711%0.10750%0.502CS..  trans-60131.5175.700000110.3K293 G295 P310K293-A298 WeakPolarHBondContact O-CB 3.34Å; G295-A298 PolarHBondContact O-N 3.36Å; A298-P310 HydrophobicContact CB-CG 4.09Å
299D76.8Confident84Confident97 Ų9792.2 Ų92.252%0.51949%0.488SS..  trans-125.270.7178.1-154.1-4.7000108.7Y297 R312Y297-D299 PolarHBondContact O-N 3Å; D299-R312 IonicContact OD1-NH1 3.77Å; D299-R312 IonicContact OD2-CZ 2.75Å; D299-R312 IonicContact OD2-NH1 3.64Å; D299-R312 PolarHBondContact OD2-NH1 3.43Å; D299-R312 IonicContact OD2-NH2 3.6Å
300E77.5Confident84Confident63 Ų6389.3 Ų89.329%0.29447%0.471SS..PPolyproline II helixtrans-85.9137.8177.6-64.4-171.3161.100109.7P292 K293P292-E300 WeakPolarHBondContact CA-OE1 3.29Å; P292-E300 WeakPolarHBondContact CB-OE1 3.47Å; K293-E300 PolarHBondContact N-OE1 3Å
301P79.2Confident83.9Confident9 Ų989.9 Ų89.96%0.05848%0.482CS..PPolyproline II helixtrans-60154.7168.3-26.438.9000112Y303 Q307 H389P301-Y303 WeakPolarHBondContact O-CD2 3.32Å; P301-Y303 VanDerWaalsContact O-CE2 3.28Å; P301-Y303 WeakPolarHBondContact O-CE2 3.47Å; P301-Q307 PolarHBondContact O-NE2 3.01Å; P301-Q307 PolarHBondContact O-OE1 3.22Å; P301-H389 WeakPolarHBondContact CB-O 3.46Å; P301-H389 WeakPolarHBondContact CG-O 3.49Å
302I83.6Confident83.3Confident22 Ų2286.2 Ų86.211%0.11346%0.459CS..BIsolated β-bridgetrans-87.6120.3-177.4-50.4173.6000109.2F248 C304 Q307 I309 L391 P393F248-I302 HydrophobicContact CE2-CG2 3.8Å; F248-I302 HydrophobicContact CZ-CG2 3.82Å; I302-C304 WeakPolarHBondContact CG2-O 3.22Å; I302-Q307 VanDerWaalsContact CA-OE1 3.31Å; I302-I309 HydrophobicContact CD1-CD1 3.78Å; I302-I309 HydrophobicContact CG1-CD1 3.85Å; I302-L391 HydrophobicContact CB-CB 4.28Å; I302-L391 WeakPolarHBondContact CB-O 3.43Å; I302-L391 WeakPolarHBondContact CG1-O 3.38Å; I302-L391 PolarHBondContact N-O 3.39Å; I302-L391 PolarHBondContact O-N 3.14Å; I302-L391 VanDerWaalsContact O-N 3.11Å; I302-P393 HydrophobicContact CD1-CB 4.34Å
303Y84.6Confident82.7Confident98 Ų9883.5 Ų83.538%0.38444%0.435SS..  trans-111.1-24.3-179.9-54.6-78.4000113.8F248 V289 P301 H389F248-Y303 WeakPolarHBondContact CE1-O 3.33Å; V289-Y303 WeakPolarHBondContact CG1-OH 3.5Å; P301-Y303 WeakPolarHBondContact O-CD2 3.32Å; P301-Y303 VanDerWaalsContact O-CE2 3.28Å; P301-Y303 WeakPolarHBondContact O-CE2 3.47Å; Y303-H389 AromaticContact CE1-CG 3.97Å; Y303-H389 AromaticContact CE1-ND1 3.57Å; Y303-H389 AromaticContact CZ-CE1 3.69Å; Y303-H389 AromaticContact CZ-ND1 3.55Å; Y303-H389 PolarHBondContact OH-CE1 2.87Å; Y303-H389 PolarHBondContact OH-ND1 3.43Å; Y303-H389 PolarHBondContact OH-NE2 3.24Å
304C86.7Confident82.4Confident49 Ų4977.2 Ų77.233%0.33141%0.41SS..SBendtrans-139.9159.3175.965.50000111.4I302 D306 Q307I302-C304 WeakPolarHBondContact CG2-O 3.22Å; C304-D306 VanDerWaalsContact C-N 3.3Å; C304-D306 PolarHBondContact O-N 3.16Å; C304-D306 PolarHBondContact SG-OD1 3.09Å; C304-Q307 WeakPolarHBondContact O-CB 3.28Å; C304-Q307 PolarHBondContact O-N 2.74Å
305A86.7Confident82Confident79 Ų7974.8 Ų74.865%0.65338%0.382SS*.THydrogen-bonded Turntrans-65.9-31.9-174.700000113.4F248F248-A305 HydrophobicContact CB-CB 4.16Å; F248-A305 HydrophobicContact CD2-CB 3.77Å; F248-A305 HydrophobicContact CG-CB 4.23Å
306D87.5Confident81.5Confident133 Ų13381.2 Ų81.271%0.71139%0.389SS*.THydrogen-bonded Turntrans-96.310.3-176.864.1-37.8000113.3C304 R308C304-D306 VanDerWaalsContact C-N 3.3Å; C304-D306 PolarHBondContact O-N 3.16Å; C304-D306 PolarHBondContact SG-OD1 3.09Å; D306-R308 PolarHBondContact O-N 3.23Å
307Q85.9Confident80.7Confident32 Ų3275.8 Ų75.815%0.1537%0.372CS..  trans-59.1125.7178.7-169.4168.9-19.200110.8P301 I302 C304 I309P301-Q307 PolarHBondContact O-NE2 3.01Å; P301-Q307 PolarHBondContact O-OE1 3.22Å; I302-Q307 VanDerWaalsContact CA-OE1 3.31Å; C304-Q307 WeakPolarHBondContact O-CB 3.28Å; C304-Q307 PolarHBondContact O-N 2.74Å; Q307-I309 PolarHBondContact O-N 2.69Å
308R86Confident80Confident239 Ų23974.5 Ų74.590%0.90237%0.369SS*.  trans-78.4121.2178-64.8-177.8-179.3177.81.1109.6D306D306-R308 PolarHBondContact O-N 3.23Å
309I81.8Confident79.2Confident63 Ų6376.7 Ų76.732%0.32338%0.379SS..  trans-112138.7179.4-52.3177.9000109.1I302 Q307 H399I302-I309 HydrophobicContact CD1-CD1 3.78Å; I302-I309 HydrophobicContact CG1-CD1 3.85Å; Q307-I309 PolarHBondContact O-N 2.69Å; I309-H399 WeakPolarHBondContact CD1-NE2 3.21Å
310P81.5Confident78.6Confident40 Ų4076.8 Ų76.826%0.2639%0.385SS..  trans-58.3147.4172.3-22.132.7000112.4G295 A298 R312G295-P310 VanDerWaalsContact O-CG 3.31Å; G295-P310 WeakPolarHBondContact O-CG 3.42Å; A298-P310 HydrophobicContact CB-CG 4.09Å; P310-R312 HydrophobicContact CB-CG 4.45Å; P310-R312 PolarHBondContact O-N 3.39Å
311D80.7Confident77.8Confident119 Ų11981.6 Ų81.664%0.63641%0.405SS*.  trans-72.789.2179.9-167.125.8000111.4R313D311-R313 WeakPolarHBondContact OD1-CD 3.44Å; D311-R313 VanDerWaalsContact OD1-CG 3.3Å; D311-R313 WeakPolarHBondContact OD1-CG 3.41Å; D311-R313 IonicContact OD1-CZ 3.99Å; D311-R313 IonicContact OD1-NE 3.5Å; D311-R313 PolarHBondContact OD1-NE 3.4Å; D311-R313 IonicContact OD1-NH2 3.97Å; D311-R313 IonicContact OD2-CZ 2.75Å; D311-R313 IonicContact OD2-NE 3.01Å; D311-R313 PolarHBondContact OD2-NE 3.25Å; D311-R313 IonicContact OD2-NH2 2.75Å
312R75.9Confident77Confident67 Ų6782.8 Ų82.825%0.25341%0.412SS..  trans-110.378.2-178.7-74-174.872.1-158.5-0.6110.7D299 P310 C368 I370D299-R312 IonicContact OD1-NH1 3.77Å; D299-R312 IonicContact OD2-CZ 2.75Å; D299-R312 IonicContact OD2-NH1 3.64Å; D299-R312 PolarHBondContact OD2-NH1 3.43Å; D299-R312 IonicContact OD2-NH2 3.6Å; P310-R312 HydrophobicContact CB-CG 4.45Å; P310-R312 PolarHBondContact O-N 3.39Å; R312-C368 PolarHBondContact NH2-O 3.37Å; R312-I370 HydrophobicContact CB-CD1 3.67Å; R312-I370 HydrophobicContact CG-CD1 4.22Å
313R76.4Confident75.7Confident48 Ų4886.7 Ų86.718%0.18144%0.437CS..PPolyproline II helixtrans-93.4145.2-179.5-61.7-179.1-165.7-160.22112.4D311 S365 R402D311-R313 WeakPolarHBondContact OD1-CD 3.44Å; D311-R313 VanDerWaalsContact OD1-CG 3.3Å; D311-R313 WeakPolarHBondContact OD1-CG 3.41Å; D311-R313 IonicContact OD1-CZ 3.99Å; D311-R313 IonicContact OD1-NE 3.5Å; D311-R313 PolarHBondContact OD1-NE 3.4Å; D311-R313 IonicContact OD1-NH2 3.97Å; D311-R313 IonicContact OD2-CZ 2.75Å; D311-R313 IonicContact OD2-NE 3.01Å; D311-R313 PolarHBondContact OD2-NE 3.25Å; D311-R313 IonicContact OD2-NH2 2.75Å; R313-S365 WeakPolarHBondContact O-CB 3.44Å; R313-S365 PolarHBondContact O-OG 3.16Å; R313-R402 VanDerWaalsContact CZ-O 3.28Å; R313-R402 PolarHBondContact NH1-O 3.33Å; R313-R402 PolarHBondContact NH2-O 2.5Å
314P78.4Confident74.3Confident20 Ų2085.5 Ų85.513%0.1344%0.441CS..PPolyproline II helixtrans-63.6156.6166.320.2-25.2000111.9I370 R371 H374 R404P314-I370 HydrophobicContact CB-CG2 4.05Å; P314-I370 HydrophobicContact CG-CG2 4.49Å; P314-R371 WeakPolarHBondContact CB-O 3.06Å; P314-H374 WeakPolarHBondContact CG-CE1 2.8Å; P314-R404 PolarHBondContact O-NH2 3.06Å
315A79.6Confident72.7Confident25 Ų2587.2 Ų87.221%0.20745%0.45CS..PPolyproline II helixtrans-62.2163.2164.100000110.3D360A315-D360 WeakPolarHBondContact CB-OD2 3.46Å
316R76.6Confident70.6Confident189 Ų18987 Ų8771%0.71345%0.447SS*.PPolyproline II helixtrans-65.2135.1168.9-79.5170.3-174.8179.7-0.5107.6K318R316-K318 PolarHBondContact O-N 3.39Å
317P69Low68.5Low61 Ų6183.3 Ų83.340%0.39643%0.43SS..PPolyproline II helixtrans-56.5140.5173.825.4-35.3000109.8P320P317-P320 HydrophobicContact CG-CB 3.97Å
318K65Low66.2Low98 Ų9889.2 Ų89.243%0.42646%0.462SS..SBendtrans-77.8127.7167.5-63.1-179.3-173.91750106.1R316 T362R316-K318 PolarHBondContact O-N 3.39Å; K318-T362 PolarHBondContact NZ-OG1 2.9Å
319N64.1Low64Low60 Ų6080.4 Ų80.432%0.32145%0.446SS..SBendtrans59.360.9-176.8-54.2-14000115K321 V322 A351N319-K321 PolarHBondContact O-N 3.21Å; N319-V322 HydrophobicContact CB-CG2 3.82Å; N319-V322 PolarHBondContact O-N 3.27Å; N319-A351 WeakPolarHBondContact ND2-CB 3.41Å
320P63.4Low62.4Low99 Ų9981.4 Ų81.464%0.64345%0.452SS*.THydrogen-bonded Turntrans-61.1-18.1179.624.8-33.6000114.6P317P317-P320 HydrophobicContact CG-CB 3.97Å
321K62Low60.5Low164 Ų16485.9 Ų85.971%0.71347%0.473SS*.THydrogen-bonded Turntrans-85.7-9.5-177.4-63.8-173.7179.3-174.50113.5N319 V323N319-K321 PolarHBondContact O-N 3.21Å; K321-V323 VanDerWaalsContact C-N 3.31Å; K321-V323 PolarHBondContact O-N 3.28Å
322V61.8Low58.6Low34 Ų3483.2 Ų83.221%0.20647%0.474CS..  trans-70.595.7172.5177.70000106.6N319 P357N319-V322 HydrophobicContact CB-CG2 3.82Å; N319-V322 PolarHBondContact O-N 3.27Å; V322-P357 HydrophobicContact CB-CG 4.33Å; V322-P357 HydrophobicContact CG1-CG 4.19Å; V322-P357 WeakPolarHBondContact O-CG 3.38Å
323V57.2Low57Low104 Ų10485.2 Ų85.263%0.6348%0.484SS*.  trans-80.7126.1166.4-174.20000104.7K321 V325K321-V323 VanDerWaalsContact C-N 3.31Å; K321-V323 PolarHBondContact O-N 3.28Å; V323-V325 PolarHBondContact O-N 2.7Å
324P53.8Low55.7Low73 Ų7392.1 Ų92.147%0.47452%0.519SS..  trans-62.494.3163.727.3-30.3000105.3A326P324-A326 PolarHBondContact O-N 2.99Å; P324-A326 VanDerWaalsContact O-N 3.09Å
325V52.6Low54.4Low85 Ų8596 Ų9652%0.51554%0.538SS..  trans-56.6120.5162.8179.40000102.5V323 T327 L330V323-V325 PolarHBondContact O-N 2.7Å; V325-T327 HydrophobicContact CB-CG2 4.39Å; V325-T327 HydrophobicContact CG1-CG2 4.4Å; V325-T327 PolarHBondContact O-N 3.35Å; V325-L330 HydrophobicContact CG1-CD1 4.45Å
326A44.3Very low53.3Low73 Ų73102.2 Ų102.260%0.60356%0.563SS**  trans-59.293.2163.700000104.3P324 N328P324-A326 PolarHBondContact O-N 2.99Å; P324-A326 VanDerWaalsContact O-N 3.09Å; A326-N328 PolarHBondContact O-N 2.92Å
327T41.8Very low52.3Low56 Ų56101.1 Ų101.134%0.34457%0.566SS.*  trans-72.264.4172.253.70000106V325 G329 L330 L331V325-T327 HydrophobicContact CB-CG2 4.39Å; V325-T327 HydrophobicContact CG1-CG2 4.4Å; V325-T327 PolarHBondContact O-N 3.35Å; T327-G329 PolarHBondContact O-N 2.96Å; T327-L330 HydrophobicContact CG2-CB 4.47Å; T327-L331 HydrophobicContact CG2-CD1 3.94Å; T327-L331 HydrophobicContact CG2-CG 4.02Å
328N37.8Very low51.6Low156 Ų156102 Ų10283%0.83457%0.567SS**SBendtrans-69.477.4155-66.7-2.4000104.4A326A326-N328 PolarHBondContact O-N 2.92Å
329G41Very low51Low55 Ų55100.1 Ų100.157%0.56757%0.567SS**SBendtrans103.6-12.2168.300000118.9T327 L331T327-G329 PolarHBondContact O-N 2.96Å; G329-L331 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.45Å
330L46.8Very low50.3Low84 Ų84101.7 Ų101.744%0.4458%0.575SS.*THydrogen-bonded Turntrans-77.2-5.7-172.2-93.5152.3000117V325 T327 F333V325-L330 HydrophobicContact CG1-CD1 4.45Å; T327-L330 HydrophobicContact CG2-CB 4.47Å; L330-F333 HydrophobicContact CB-CE2 4.36Å; L330-F333 HydrophobicContact CD2-CD2 3.99Å; L330-F333 HydrophobicContact CD2-CE2 3.43Å; L330-F333 VanDerWaalsContact CD2-CE2 3.43Å; L330-F333 HydrophobicContact CD2-CZ 4.43Å; L330-F333 HydrophobicContact CG-CE2 3.89Å
331L42.1Very low49.9Very low133 Ų133100.8 Ų100.870%0.69657%0.567SS**THydrogen-bonded Turntrans-97.813.2177.7-73.6167.7000113.3T327 G329 V355T327-L331 HydrophobicContact CG2-CD1 3.94Å; T327-L331 HydrophobicContact CG2-CG 4.02Å; G329-L331 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.45Å; L331-V355 HydrophobicContact CD1-CG2 4.18Å
332G40.2Very low49.3Very low64 Ų6497.1 Ų97.166%0.6656%0.555SS**  trans-123.223.8-177.900000114.8
333F43.5Very low48.7Very low108 Ų108101.5 Ų101.547%0.47457%0.573SS.*  trans-84.1118.1174.7-70.2-74.6000109.8L330 D335 L338L330-F333 HydrophobicContact CB-CE2 4.36Å; L330-F333 HydrophobicContact CD2-CD2 3.99Å; L330-F333 HydrophobicContact CD2-CE2 3.43Å; L330-F333 VanDerWaalsContact CD2-CE2 3.43Å; L330-F333 HydrophobicContact CD2-CZ 4.43Å; L330-F333 HydrophobicContact CG-CE2 3.89Å; F333-D335 PolarHBondContact O-N 3.16Å; F333-L338 HydrophobicContact CD1-CD1 4.14Å; F333-L338 HydrophobicContact CE1-CD1 4.44Å; F333-L338 HydrophobicContact CG-CD1 4.23Å
334E49.4Very low48.1Very low194 Ų194104.2 Ų104.291%0.90758%0.577SS**  trans-72.8-5.3168.8-64.1-179.7161.600111.9E336E334-E336 PolarHBondContact O-N 3.06Å
335D50.8Low47.9Very low100 Ų100108 Ų10854%0.53559%0.588SS.*  trans-83.7105.8-178-64.9-36.5000112F333 E337 L338F333-D335 PolarHBondContact O-N 3.16Å; D335-E337 PolarHBondContact O-N 2.66Å; D335-L338 PolarHBondContact O-N 2.84Å
336E56.2Low47.6Very low157 Ų157106.7 Ų106.773%0.73458%0.582SS**Hα-helixtrans-55.3-18.3176.2-70.6-169.5158.900114.1E334 S339 N340E334-E336 PolarHBondContact O-N 3.06Å; E336-S339 VanDerWaalsContact C-OG 3.28Å; E336-S339 WeakPolarHBondContact CA-OG 3.36Å; E336-S339 PolarHBondContact O-OG 3.48Å; E336-N340 VanDerWaalsContact O-CG 3.3Å; E336-N340 PolarHBondContact O-N 3.35Å; E336-N340 PolarHBondContact O-ND2 2.89Å
337E55.7Low47.3Very low165 Ų165109 Ų10977%0.77159%0.585SS**Hα-helixtrans-75.8-36.1-179.2-66.3-170.7162.300112.9D335 V341D335-E337 PolarHBondContact O-N 2.66Å; E337-V341 WeakPolarHBondContact O-CG2 3.47Å; E337-V341 PolarHBondContact O-N 3.06Å
338L53.8Low47.4Very low80 Ų80111 Ų11142%0.41959%0.592SS.*Hα-helixtrans-80.7-30.7-179.1-76.5170.5000112.5F333 D335 N340 V341 L342F333-L338 HydrophobicContact CD1-CD1 4.14Å; F333-L338 HydrophobicContact CE1-CD1 4.44Å; F333-L338 HydrophobicContact CG-CD1 4.23Å; D335-L338 PolarHBondContact O-N 2.84Å; L338-N340 VanDerWaalsContact C-N 3.29Å; L338-N340 PolarHBondContact O-N 3.38Å; L338-V341 PolarHBondContact O-N 3.41Å; L338-L342 PolarHBondContact O-N 3.48Å
339S51.7Low47.5Very low59 Ų59108.6 Ų108.641%0.41359%0.588SS.*Hα-helixtrans-61.2-39.517146.80000111.5E336 L342 E343E336-S339 VanDerWaalsContact C-OG 3.28Å; E336-S339 WeakPolarHBondContact CA-OG 3.36Å; E336-S339 PolarHBondContact O-OG 3.48Å; S339-L342 PolarHBondContact O-N 3.3Å; S339-E343 WeakPolarHBondContact O-CB 3.49Å; S339-E343 PolarHBondContact O-N 3.4Å
340N51.1Low47.8Very low93 Ų93114 Ų11450%0.49760%0.604SS.*Hα-helixtrans-68.9-34.1177-72.6-25.1000112.4E336 L338 E343 F344E336-N340 VanDerWaalsContact O-CG 3.3Å; E336-N340 PolarHBondContact O-N 3.35Å; E336-N340 PolarHBondContact O-ND2 2.89Å; L338-N340 VanDerWaalsContact C-N 3.29Å; L338-N340 PolarHBondContact O-N 3.38Å; N340-E343 PolarHBondContact O-N 3.1Å; N340-F344 VanDerWaalsContact O-CB 3.25Å; N340-F344 WeakPolarHBondContact O-CB 3.42Å; N340-F344 PolarHBondContact O-N 3.32Å
341V53.9Low47.8Very low80 Ų80110.8 Ų110.849%0.48559%0.589SS.*Hα-helixtrans-68.6-40.1174.3174.80000111.2E337 L338 F344 Q345E337-V341 WeakPolarHBondContact O-CG2 3.47Å; E337-V341 PolarHBondContact O-N 3.06Å; L338-V341 PolarHBondContact O-N 3.41Å; V341-F344 PolarHBondContact O-N 3Å; V341-Q345 PolarHBondContact O-N 3.35Å
342L50.6Low48.2Very low86 Ų86108.2 Ų108.245%0.4558%0.583SS.*Hα-helixtrans-66.2-41.2173-82.6164.1000111.8L338 S339 C346L338-L342 PolarHBondContact O-N 3.48Å; S339-L342 PolarHBondContact O-N 3.3Å; L342-C346 WeakPolarHBondContact O-CB 3.45Å; L342-C346 PolarHBondContact O-N 3Å; L342-C346 PolarHBondContact O-SG 3.28Å
343E48.5Very low48.9Very low127 Ų127110.1 Ų110.159%0.59359%0.586SS**Hα-helixtrans-63.4-40.1173.5-100.3-175157.100112.4S339 N340 C346S339-E343 WeakPolarHBondContact O-CB 3.49Å; S339-E343 PolarHBondContact O-N 3.4Å; N340-E343 PolarHBondContact O-N 3.1Å; E343-C346 CarbonylContact O-C 3.42Å; E343-C346 PolarHBondContact O-N 2.84Å; E343-C346 VanDerWaalsContact O-N 3.16Å
344F44.9Very low49.6Very low160 Ų160107.8 Ų107.870%0.70258%0.58SS**Hα-helixtrans-69.2-38179.8-166.2-96.2000112.7N340 V341 C346 N347N340-F344 VanDerWaalsContact O-CB 3.25Å; N340-F344 WeakPolarHBondContact O-CB 3.42Å; N340-F344 PolarHBondContact O-N 3.32Å; V341-F344 PolarHBondContact O-N 3Å; F344-C346 VanDerWaalsContact C-N 3.28Å; F344-N347 PolarHBondContact O-ND2 2.91Å; F344-N347 VanDerWaalsContact O-ND2 3.16Å
345Q49.6Very low50.4Low152 Ų152101.6 Ų101.671%0.7156%0.556SS**Hα-helixtrans-71-25.2171.3-77.8-179.1-15.700112.5V341 N347V341-Q345 PolarHBondContact O-N 3.35Å; Q345-N347 VanDerWaalsContact C-N 3.34Å; Q345-N347 PolarHBondContact O-N 3.43Å
346C46.5Very low51.2Low59 Ų59103.6 Ų103.640%0.39956%0.56SS.*THydrogen-bonded Turntrans-90.925.7179-67.80000114.5L342 E343 F344 L348L342-C346 WeakPolarHBondContact O-CB 3.45Å; L342-C346 PolarHBondContact O-N 3Å; L342-C346 PolarHBondContact O-SG 3.28Å; E343-C346 CarbonylContact O-C 3.42Å; E343-C346 PolarHBondContact O-N 2.84Å; E343-C346 VanDerWaalsContact O-N 3.16Å; F344-C346 VanDerWaalsContact C-N 3.28Å; C346-L348 PolarHBondContact O-N 3.48Å
347N37.5Very low51.7Low121 Ų12198.8 Ų98.865%0.64754%0.542SS*.  trans-59.867.6171.7-95.8-42.1000113.1F344 Q345F344-N347 PolarHBondContact O-ND2 2.91Å; F344-N347 VanDerWaalsContact O-ND2 3.16Å; Q345-N347 VanDerWaalsContact C-N 3.34Å; Q345-N347 PolarHBondContact O-N 3.43Å
348L44.1Very low52.5Low97 Ų9795.2 Ų95.251%0.50853%0.528SS..SBendtrans-150.997.1-179-114.691.5000108.8C346 N350 A351C346-L348 PolarHBondContact O-N 3.48Å; L348-N350 PolarHBondContact O-N 2.87Å; L348-A351 PolarHBondContact O-N 3.47Å
349S39.6Very low53.5Low106 Ų10696.4 Ų96.474%0.74154%0.535SS*.THydrogen-bonded Turntrans9.7107155.563.30000116.5A351S349-A351 PolarHBondContact O-N 3.34Å
350N46.4Very low54.7Low168 Ų16894.2 Ų94.290%0.89852%0.518SS*.THydrogen-bonded Turntrans55.49.6165.8-68.3-1.7000118.1L348L348-N350 PolarHBondContact O-N 2.87Å
351A47.4Very low56.1Low17 Ų1794.9 Ų94.914%0.1453%0.526CS..  trans-112.7-6.3-171.500000115.2N319 L348 S349 S353N319-A351 WeakPolarHBondContact ND2-CB 3.41Å; L348-A351 PolarHBondContact O-N 3.47Å; S349-A351 PolarHBondContact O-N 3.34Å; A351-S353 VanDerWaalsContact C-N 3.28Å; A351-S353 PolarHBondContact O-N 3.5Å
352S50.8Low57.5Low80 Ų8095.5 Ų95.556%0.55953%0.53SS*.THydrogen-bonded Turntrans-72.6-12.7-176.155.90000114.8
353S55.5Low59.1Low103 Ų10392.6 Ų92.672%0.7252%0.516SS*.THydrogen-bonded Turntrans-91.4-1.6-175.461.40000115.2A351A351-S353 VanDerWaalsContact C-N 3.28Å; A351-S353 PolarHBondContact O-N 3.5Å
354V57.2Low60.8Low59 Ų5995.1 Ų95.136%0.35852%0.521SS..  trans-119.4115.4-171.1-162.20000111.1F356V354-F356 WeakPolarHBondContact CG1-O 3.25Å; V354-F356 PolarHBondContact O-N 2.85Å
355V67.6Low62.5Low65 Ų6589 Ų8939%0.39450%0.498SS..SBendtrans-63.6-26.3178179.40000112.4L331L331-V355 HydrophobicContact CD1-CG2 4.18Å
356F66.8Low64Low142 Ų14282.7 Ų82.762%0.62347%0.472SS*.SBendtrans-117.9146.8-176.8-59-73.1000112.2V354 L358V354-F356 WeakPolarHBondContact CG1-O 3.25Å; V354-F356 PolarHBondContact O-N 2.85Å; F356-L358 PolarHBondContact O-N 3.05Å
357P67.3Low65.6Low55 Ų5586.6 Ų86.636%0.35749%0.488SS..PPolyproline II helixtrans-57.4138.8173-21.831.6000111.8V322 N359V322-P357 HydrophobicContact CB-CG 4.33Å; V322-P357 HydrophobicContact CG1-CG 4.19Å; V322-P357 WeakPolarHBondContact O-CG 3.38Å; P357-N359 PolarHBondContact O-N 2.72Å
358L71.2Confident67.5Low91 Ų9182.9 Ų82.948%0.47647%0.471SS..PPolyproline II helixtrans-71.1122.8174.7-70.4173.3000110.5F356F356-L358 PolarHBondContact O-N 3.05Å
359N75.4Confident68.9Low104 Ų10481 Ų8156%0.55648%0.475SS*.PPolyproline II helixtrans-67.8139.8176.1-70.9-35.5000111.5P357 V361P357-N359 PolarHBondContact O-N 2.72Å; N359-V361 PolarHBondContact O-N 2.75Å
360D76.6Confident70.5Confident13 Ų1377.2 Ų77.27%0.0745%0.446CS..  trans-78109.5170.7179.331000110.6A315 T362 S363 A366 S372A315-D360 WeakPolarHBondContact CB-OD2 3.46Å; D360-T362 PolarHBondContact OD1-N 3.06Å; D360-T362 VanDerWaalsContact OD1-N 3.14Å; D360-T362 PolarHBondContact OD1-OG1 2.7Å; D360-S363 PolarHBondContact OD1-N 2.77Å; D360-S363 WeakPolarHBondContact OD2-CB 3.32Å; D360-S363 PolarHBondContact OD2-OG 2.78Å; D360-A366 WeakPolarHBondContact O-CB 3.15Å; D360-S372 WeakPolarHBondContact CB-OG 3.31Å
361V80.9Confident71.4Confident107 Ų10775.2 Ų75.265%0.64843%0.426SS*.  trans-110.7-5.5173.5-63.70000112.6N359N359-V361 PolarHBondContact O-N 2.75Å
362T83.4Confident72.2Confident93 Ų9375 Ų7557%0.57142%0.423SS*.SBendtrans-102.5-26.7-168520000113.4K318 D360K318-T362 PolarHBondContact NZ-OG1 2.9Å; D360-T362 PolarHBondContact OD1-N 3.06Å; D360-T362 VanDerWaalsContact OD1-N 3.14Å; D360-T362 PolarHBondContact OD1-OG1 2.7Å
363S84.6Confident72.8Confident25 Ų2573.7 Ų73.718%0.17541%0.41CS..SBendtrans-72.6155.6-176.280.10000112.2D360 S365 A366 L367D360-S363 PolarHBondContact OD1-N 2.77Å; D360-S363 WeakPolarHBondContact OD2-CB 3.32Å; D360-S363 PolarHBondContact OD2-OG 2.78Å; S363-S365 PolarHBondContact O-N 3.34Å; S363-S365 PolarHBondContact OG-N 3.18Å; S363-A366 WeakPolarHBondContact O-CB 3.43Å; S363-A366 PolarHBondContact O-N 3.47Å; S363-A366 VanDerWaalsContact O-N 3.07Å; S363-A366 PolarHBondContact OG-N 3.34Å; S363-L367 PolarHBondContact O-N 3.06Å
364R83.7Confident73Confident180 Ų18072.6 Ų72.668%0.67939%0.393SS*.Hα-helixtrans-56.7-33.1170.8-170.5174.4-173.5157.63.6112.1Y297 L367 C368Y297-R364 VanDerWaalsContact OH-CZ 3.3Å; Y297-R364 PolarHBondContact OH-NE 2.94Å; Y297-R364 PolarHBondContact OH-NH2 3.42Å; R364-L367 PolarHBondContact O-N 2.64Å; R364-C368 PolarHBondContact O-N 3Å; R364-C368 VanDerWaalsContact O-N 3.08Å; R364-C368 PolarHBondContact O-SG 3.04Å
365S81.2Confident73Confident32 Ų3275.7 Ų75.722%0.22440%0.404CS..Hα-helixtrans-65.2-44.6176-62.50000111.2R313 S363 C368 G369 I370R313-S365 WeakPolarHBondContact O-CB 3.44Å; R313-S365 PolarHBondContact O-OG 3.16Å; S363-S365 PolarHBondContact O-N 3.34Å; S363-S365 PolarHBondContact OG-N 3.18Å; S365-C368 CarbonylContact O-C 3.49Å; S365-C368 WeakPolarHBondContact O-CA 3.37Å; S365-C368 PolarHBondContact O-N 3.04Å; S365-C368 VanDerWaalsContact O-N 3.09Å; S365-G369 PolarHBondContact O-N 3.16Å; S365-I370 CarbonylContact C-O 3.49Å; S365-I370 WeakPolarHBondContact O-CB 3.49Å; S365-I370 PolarHBondContact O-N 3.37Å
366A80.1Confident72.3Confident20 Ų2077.2 Ų77.217%0.16541%0.409CS..Hα-helixtrans-61.5-43.6176.300000111.9D360 S363 C368 G369 I370D360-A366 WeakPolarHBondContact O-CB 3.15Å; S363-A366 WeakPolarHBondContact O-CB 3.43Å; S363-A366 PolarHBondContact O-N 3.47Å; S363-A366 VanDerWaalsContact O-N 3.07Å; S363-A366 PolarHBondContact OG-N 3.34Å; A366-C368 PolarHBondContact O-N 3.16Å; A366-G369 WeakPolarHBondContact O-CA 3.01Å; A366-G369 PolarHBondContact O-N 3.19Å; A366-I370 WeakPolarHBondContact CA-O 3.11Å
367L81.3Confident71.4Confident140 Ų14073.1 Ų73.173%0.73340%0.397SS*.Hα-helixtrans-61.7-28.9173.9-66.6175.3000112.9S363 R364 G369S363-L367 PolarHBondContact O-N 3.06Å; R364-L367 PolarHBondContact O-N 2.64Å; L367-G369 PolarHBondContact O-N 3.35Å
368C76.1Confident70.4Confident43 Ų4374 Ų7429%0.29140%0.404SS..THydrogen-bonded Turntrans-85.614.8172.3-650000113.5R312 R364 S365 A366 I370R312-C368 PolarHBondContact NH2-O 3.37Å; R364-C368 PolarHBondContact O-N 3Å; R364-C368 VanDerWaalsContact O-N 3.08Å; R364-C368 PolarHBondContact O-SG 3.04Å; S365-C368 CarbonylContact O-C 3.49Å; S365-C368 WeakPolarHBondContact O-CA 3.37Å; S365-C368 PolarHBondContact O-N 3.04Å; S365-C368 VanDerWaalsContact O-N 3.09Å; A366-C368 PolarHBondContact O-N 3.16Å; C368-I370 VanDerWaalsContact C-N 3.32Å; C368-I370 HydrophobicContact CB-CD1 4.4Å; C368-I370 PolarHBondContact O-N 3.43Å
369G72.9Confident69.1Low57 Ų5780.4 Ų80.459%0.58842%0.422SS*.THydrogen-bonded Turntrans77.38.9177.900000115.4S365 A366 L367S365-G369 PolarHBondContact O-N 3.16Å; A366-G369 WeakPolarHBondContact O-CA 3.01Å; A366-G369 PolarHBondContact O-N 3.19Å; L367-G369 PolarHBondContact O-N 3.35Å
370I73.7Confident67.5Low28 Ų2878.5 Ų78.514%0.14442%0.416CS..  trans-94.1107-178.8-51.9160.8000108.7R312 P314 S365 A366 C368R312-I370 HydrophobicContact CB-CD1 3.67Å; R312-I370 HydrophobicContact CG-CD1 4.22Å; P314-I370 HydrophobicContact CB-CG2 4.05Å; P314-I370 HydrophobicContact CG-CG2 4.49Å; S365-I370 CarbonylContact C-O 3.49Å; S365-I370 WeakPolarHBondContact O-CB 3.49Å; S365-I370 PolarHBondContact O-N 3.37Å; A366-I370 WeakPolarHBondContact CA-O 3.11Å; C368-I370 VanDerWaalsContact C-N 3.32Å; C368-I370 HydrophobicContact CB-CD1 4.4Å; C368-I370 PolarHBondContact O-N 3.43Å
371R66.2Low65.9Low126 Ų12686.8 Ų86.848%0.47545%0.452SS..  trans-82.8143.6-179.4-59.6-173.8165.4-171.9-3.2112.9P314 D373 H374P314-R371 WeakPolarHBondContact CB-O 3.06Å; R371-D373 VanDerWaalsContact C-N 3.33Å; R371-D373 WeakPolarHBondContact CB-OD1 3.19Å; R371-H374 PolarHBondContact O-N 2.75Å
372S64.4Low64.3Low11 Ų1185.8 Ų85.88%0.07744%0.443CS..THydrogen-bonded Turntrans-71.6-24.3-179.553.60000114.7D360 H374D360-S372 WeakPolarHBondContact CB-OG 3.31Å; S372-H374 PolarHBondContact O-N 3.5Å
373D62.1Low62.3Low53 Ų5389.5 Ų89.528%0.28345%0.454SS..THydrogen-bonded Turntrans-80.6-2.9177.861.5-0.5000113.1R371 Q375R371-D373 VanDerWaalsContact C-N 3.33Å; R371-D373 WeakPolarHBondContact CB-OD1 3.19Å; D373-Q375 HydrophobicContact CB-CG 4.14Å; D373-Q375 PolarHBondContact O-N 2.79Å; D373-Q375 PolarHBondContact OD1-N 2.98Å; D373-Q375 WeakPolarHBondContact OD2-CG 3.5Å; D373-Q375 PolarHBondContact OD2-OE1 2.88Å
374H60.7Low60.3Low81 Ų8191.7 Ų91.738%0.37548%0.48SS..  trans5613.9-172.6-58.6-75.2000114.7P314 R371 S372 I376P314-H374 WeakPolarHBondContact CG-CE1 2.8Å; R371-H374 PolarHBondContact O-N 2.75Å; S372-H374 PolarHBondContact O-N 3.5Å; H374-I376 PolarHBondContact O-N 2.81Å
375Q56.6Low58.4Low124 Ų12489.2 Ų89.258%0.57948%0.479SS*.PPolyproline II helixtrans-70.9129.4175.8-67.5-172.71.400109D373 P377D373-Q375 HydrophobicContact CB-CG 4.14Å; D373-Q375 PolarHBondContact O-N 2.79Å; D373-Q375 PolarHBondContact OD1-N 2.98Å; D373-Q375 WeakPolarHBondContact OD2-CG 3.5Å; D373-Q375 PolarHBondContact OD2-OE1 2.88Å; Q375-P377 WeakPolarHBondContact O-CD 3.3Å
376I54.1Low56.9Low96 Ų9694.7 Ų94.749%0.49250%0.501SS..PPolyproline II helixtrans-72.1126.2169-48.6172.6000106H374 S378 T394H374-I376 PolarHBondContact O-N 2.81Å; I376-S378 PolarHBondContact O-N 3.44Å; I376-T394 HydrophobicContact CD1-CG2 3.89Å; I376-T394 WeakPolarHBondContact CD1-O 3.03Å
377P47.8Very low55.2Low57 Ų5796.8 Ų96.837%0.3752%0.518SS..PPolyproline II helixtrans-51.5134.8168.6-22.331.7000109.6Q375Q375-P377 WeakPolarHBondContact O-CD 3.3Å
378S45.3Very low53.6Low74 Ų7493 Ų9352%0.51750%0.497SS..PPolyproline II helixtrans-54.7143.217855.30000110.3I376 S380 F381I376-S378 PolarHBondContact O-N 3.44Å; S378-S380 PolarHBondContact O-N 3.44Å; S378-S380 PolarHBondContact OG-OG 3.07Å; S378-F381 PolarHBondContact O-N 3.06Å; S378-F381 VanDerWaalsContact O-N 3.1Å
379R44.1Very low52Low225 Ų22591.6 Ų91.685%0.84949%0.486SS*.G310 helixtrans-55.1-21.8-177.9-88.2-174.5173.3-168.7-1.8113.7F381 L382R379-F381 VanDerWaalsContact C-N 3.27Å; R379-F381 PolarHBondContact O-N 2.91Å; R379-L382 PolarHBondContact O-N 3.36Å; R379-L382 VanDerWaalsContact O-N 3.09Å
380S41.7Very low51Low63 Ų6391 Ų9144%0.44148%0.48SS..G310 helixtrans-60.8-33.8177.850.70000112.7S378 L382 Q383S378-S380 PolarHBondContact O-N 3.44Å; S378-S380 PolarHBondContact OG-OG 3.07Å; S380-L382 VanDerWaalsContact C-N 3.26Å; S380-L382 PolarHBondContact O-N 2.91Å; S380-Q383 WeakPolarHBondContact O-CB 3.45Å; S380-Q383 VanDerWaalsContact O-CG 3.29Å; S380-Q383 WeakPolarHBondContact O-CG 3.47Å; S380-Q383 PolarHBondContact O-N 3.09Å; S380-Q383 PolarHBondContact O-OE1 2.86Å
381F42.1Very low50.2Low187 Ų18792.6 Ų92.682%0.8249%0.488SS*.G310 helixtrans-75-13.3176.6-106.6-88.9000114.2S378 R379S378-F381 PolarHBondContact O-N 3.06Å; S378-F381 VanDerWaalsContact O-N 3.1Å; R379-F381 VanDerWaalsContact C-N 3.27Å; R379-F381 PolarHBondContact O-N 2.91Å
382L47.5Very low49.8Very low87 Ų8790.6 Ų90.646%0.45548%0.483SS..G310 helixtrans-969.9176.8-79.4161.2000112.7R379 S380 G384R379-L382 PolarHBondContact O-N 3.36Å; R379-L382 VanDerWaalsContact O-N 3.09Å; S380-L382 VanDerWaalsContact C-N 3.26Å; S380-L382 PolarHBondContact O-N 2.91Å; L382-G384 PolarHBondContact O-N 3.49Å
383Q42.7Very low49.2Very low171 Ų17193 Ų9380%0.79950%0.498SS*.THydrogen-bonded Turntrans-62.2-0.3-176.9-83.3175.3-21.100115.3S380S380-Q383 WeakPolarHBondContact O-CB 3.45Å; S380-Q383 VanDerWaalsContact O-CG 3.29Å; S380-Q383 WeakPolarHBondContact O-CG 3.47Å; S380-Q383 PolarHBondContact O-N 3.09Å; S380-Q383 PolarHBondContact O-OE1 2.86Å
384G42.7Very low48.6Very low71 Ų7194 Ų9473%0.73251%0.507SS*.THydrogen-bonded Turntrans-95.5-17.6-175.400000117.9L382L382-G384 PolarHBondContact O-N 3.49Å
385I43.9Very low47.7Very low128 Ų12899.1 Ų99.166%0.65652%0.522SS*.SBendtrans-147.2122.8-172.5-52.5177.5000109.9
386H48.7Very low47Very low147 Ų14795 Ų9568%0.68151%0.513SS*.  trans4127.7171.2-58.8-75.3000117.6E388H386-E388 PolarHBondContact O-N 2.91Å
387A45.6Very low46.4Very low64 Ų6498.5 Ų98.553%0.52953%0.525SS..  trans-45.6118.4171.600000111Q287Q287-A387 VanDerWaalsContact NE2-CB 3.26Å; Q287-A387 PolarHBondContact OE1-O 3.28Å
388E46.3Very low46.1Very low60 Ų6099.1 Ų99.128%0.2854%0.535SS..  trans-82.5125.3-177.6-58.6-175.2160.800109.5Q287 R290 H386 K392Q287-E388 PolarHBondContact OE1-O 3.09Å; R290-E388 IonicContact CZ-OE1 3.79Å; R290-E388 IonicContact NH1-OE1 3.09Å; R290-E388 PolarHBondContact NH1-OE1 3.15Å; R290-E388 IonicContact NH2-OE1 2.89Å; R290-E388 PolarHBondContact NH2-OE1 2.97Å; R290-E388 IonicContact NH2-OE2 2.97Å; H386-E388 PolarHBondContact O-N 2.91Å; E388-K392 WeakPolarHBondContact OE2-CE 3.42Å; E388-K392 IonicContact OE2-NZ 2.66Å; E388-K392 PolarHBondContact OE2-NZ 3.28Å
389H42.9Very low46Very low14 Ų14100.4 Ų100.47%0.06553%0.533CS..  trans-64.1164.9172.550.639.3000111.5Q287 P288 V289 R290 P301 Y303Q287-H389 HydrophobicContact CB-CB 4.21Å; Q287-H389 VanDerWaalsContact OE1-N 3.12Å; P288-H389 PolarHBondContact O-CD2 3.43Å; V289-H389 WeakPolarHBondContact CA-CD2 3.36Å; V289-H389 WeakPolarHBondContact CA-NE2 2.88Å; V289-H389 WeakPolarHBondContact CG2-CD2 3.17Å; R290-H389 PolarHBondContact N-NE2 3.3Å; P301-H389 WeakPolarHBondContact CB-O 3.46Å; P301-H389 WeakPolarHBondContact CG-O 3.49Å; Y303-H389 AromaticContact CE1-CG 3.97Å; Y303-H389 AromaticContact CE1-ND1 3.57Å; Y303-H389 AromaticContact CZ-CE1 3.69Å; Y303-H389 AromaticContact CZ-ND1 3.55Å; Y303-H389 PolarHBondContact OH-CE1 2.87Å; Y303-H389 PolarHBondContact OH-ND1 3.43Å; Y303-H389 PolarHBondContact OH-NE2 3.24Å
390G51Low46.2Very low44 Ų4494.1 Ų94.145%0.45452%0.515SS..SBendtrans80.6169170.400000114.2K392G390-K392 PolarHBondContact O-N 3.26Å
391L57.9Low46.4Very low61 Ų6197.6 Ų97.632%0.31953%0.533SS..BIsolated β-bridgetrans-76.7119.2178-67.1169000108.2Y247 F248 I302Y247-L391 HydrophobicContact CD1-CD1 4.07Å; Y247-L391 HydrophobicContact CG-CD1 4.01Å; F248-L391 HydrophobicContact CE2-CD1 4.18Å; F248-L391 HydrophobicContact CZ-CD1 3.92Å; I302-L391 HydrophobicContact CB-CB 4.28Å; I302-L391 WeakPolarHBondContact CB-O 3.43Å; I302-L391 WeakPolarHBondContact CG1-O 3.38Å; I302-L391 PolarHBondContact N-O 3.39Å; I302-L391 PolarHBondContact O-N 3.14Å; I302-L391 VanDerWaalsContact O-N 3.11Å
392K58Low46.8Very low84 Ų8498 Ų9837%0.36553%0.529SS..  trans-69.3144.2161.2-69.7-165.2178.6-157.60108.1E388 G390 T394E388-K392 WeakPolarHBondContact OE2-CE 3.42Å; E388-K392 IonicContact OE2-NZ 2.66Å; E388-K392 PolarHBondContact OE2-NZ 3.28Å; G390-K392 PolarHBondContact O-N 3.26Å; K392-T394 WeakPolarHBondContact O-CG2 3.11Å; K392-T394 PolarHBondContact O-N 2.82Å
393P50.8Low47Very low62 Ų6298.9 Ų98.940%0.40354%0.54SS..  trans-62.888.4166.124.3-30000108.5I302 R395I302-P393 HydrophobicContact CD1-CB 4.34Å; P393-R395 PolarHBondContact O-N 3.08Å
394T49.5Very low47.5Very low74 Ų7496.7 Ų96.745%0.45452%0.524SS..  trans-74.1-9.5-177.549.40000112.2I376 K392I376-T394 HydrophobicContact CD1-CG2 3.89Å; I376-T394 WeakPolarHBondContact CD1-O 3.03Å; K392-T394 WeakPolarHBondContact O-CG2 3.11Å; K392-T394 PolarHBondContact O-N 2.82Å
395R43.2Very low47.7Very low188 Ų18899.2 Ų99.271%0.70953%0.526SS*.SBendtrans-140.8116.9176-71.2-175.9164.2169.7-5.3109.6P393 K397 A398P393-R395 PolarHBondContact O-N 3.08Å; R395-K397 PolarHBondContact O-N 3.28Å; R395-A398 PolarHBondContact O-N 3.5Å; R395-A398 VanDerWaalsContact O-N 3.16Å
396G41.1Very low47.7Very low37 Ų3796 Ų9638%0.38152%0.523SS..THydrogen-bonded Turntrans-62.34.8176.700000115.5I400G396-I400 WeakPolarHBondContact O-CD1 3.43Å
397K41.9Very low47.4Very low170 Ų17096.7 Ų96.774%0.73953%0.532SS*.THydrogen-bonded Turntrans-86.8-19.3173.1-69.3-173.9178-178.90113.7R395 H399R395-K397 PolarHBondContact O-N 3.28Å; K397-H399 PolarHBondContact O-N 3.03Å
398A40.7Very low47.3Very low70 Ų70102.8 Ų102.858%0.57955%0.547SS*.THydrogen-bonded Turntrans-66.9-11.7-170.100000115.5R395R395-A398 PolarHBondContact O-N 3.5Å; R395-A398 VanDerWaalsContact O-N 3.16Å
399H44.8Very low47.1Very low102 Ų102108.6 Ų108.647%0.47257%0.571SS.*THydrogen-bonded Turntrans-126.711.8-174.8-72.8-74.2000115.6I309 K397 V401I309-H399 WeakPolarHBondContact CD1-NE2 3.21Å; K397-H399 PolarHBondContact O-N 3.03Å; H399-V401 VanDerWaalsContact C-N 3.25Å; H399-V401 PolarHBondContact O-N 3.21Å
400I48.1Very low47Very low93 Ų93117.5 Ų117.548%0.47761%0.61SS.*THydrogen-bonded Turntrans-88.652.6-177.6-40.2176.2000111.1G396G396-I400 WeakPolarHBondContact O-CD1 3.43Å
401V45.3Very low46.7Very low135 Ų135123.8 Ų123.882%0.81863%0.627SS**THydrogen-bonded Turntrans-78.8-27.6175.3-172.10000111H399H399-V401 VanDerWaalsContact C-N 3.25Å; H399-V401 PolarHBondContact O-N 3.21Å
402R50.3Low46.2Very low197 Ų197130.3 Ų130.374%0.74365%0.653SS**SBendtrans-102.3131.9-178.3-64.4-175.1-179.7-169.5-0.7111.4R313R313-R402 VanDerWaalsContact CZ-O 3.28Å; R313-R402 PolarHBondContact NH1-O 3.33Å; R313-R402 PolarHBondContact NH2-O 2.5Å
403P51.4Low45.9Very low104 Ų104135.2 Ų135.268%0.67570%0.697SS**  trans-56.1155.3168.424.2-31.7000109.6T405P403-T405 VanDerWaalsContact C-N 3.34Å; P403-T405 PolarHBondContact O-N 3.14Å
404R52.4Low45.6Very low125 Ų125138.9 Ų138.947%0.47271%0.712SS.*  trans-59.1100.6172.7-78.6-174.8179.91621.6107.8P314 G406P314-R404 PolarHBondContact O-NH2 3.06Å; R404-G406 PolarHBondContact O-N 2.97Å
405T47.7Very low45.4Very low125 Ų125142.3 Ų142.377%0.76773%0.726SS**  trans-72.684.116452.90000105.4P403 N407P403-T405 VanDerWaalsContact C-N 3.34Å; P403-T405 PolarHBondContact O-N 3.14Å; T405-N407 PolarHBondContact O-N 3.17Å
406G44.4Very low45.6Very low59 Ų59139.7 Ų139.761%0.60873%0.727SS**  trans-54.1130167.300000106.9R404 K408R404-G406 PolarHBondContact O-N 2.97Å; G406-K408 PolarHBondContact O-N 2.84Å
407N41.3Very low45.8Very low162 Ų162145.8 Ų145.887%0.86675%0.747SS**  trans-56.287.3155.5-93.4-13.8000105.8T405 K409T405-N407 PolarHBondContact O-N 3.17Å; N407-K409 PolarHBondContact O-N 2.69Å
408K43.6Very low46.1Very low193 Ų193144.3 Ų144.384%0.83975%0.747SS**  trans-57.1100.6152.7-85.3-173.4175.8-1790102.3G406 K410G406-K408 PolarHBondContact O-N 2.84Å; K408-K410 VanDerWaalsContact C-N 3.3Å; K408-K410 PolarHBondContact O-N 2.81Å
409K42.7Very low46.4Very low181 Ų181149.2 Ų149.279%0.78776%0.759SS**  trans-45.7109.5162.3-78.9179.9174.5178.90103.8N407 H411N407-K409 PolarHBondContact O-N 2.69Å; K409-H411 PolarHBondContact O-N 2.83Å
410K41.7Very low46.5Very low201 Ų201152.6 Ų152.687%0.87478%0.779SS**  trans-58.699.6163.2-78.7-175.5176-1770103.1K408 K412K408-K410 VanDerWaalsContact C-N 3.3Å; K408-K410 PolarHBondContact O-N 2.81Å; K410-K412 VanDerWaalsContact C-N 3.26Å; K410-K412 PolarHBondContact O-N 3.18Å
411H43.8Very low46.4Very low177 Ų177157.2 Ų157.282%0.81980%0.802SS**  trans-57.6106.4159.4-98.7-85.3000103.9K409 S413K409-H411 PolarHBondContact O-N 2.83Å; H411-S413 PolarHBondContact O-N 2.94Å
412K46.5Very low46.5Very low198 Ų198159 Ų15986%0.86180%0.801SS**  trans-65.1109158.3-87.3-176.3170.7-175.80104.3K410K410-K412 VanDerWaalsContact C-N 3.26Å; K410-K412 PolarHBondContact O-N 3.18Å
413S52.2Low46.2Very low186 Ų186155.5 Ų155.5100%1.30181%0.806SS**  trans-56.50152.954.10000109.9H411H411-S413 PolarHBondContact O-N 2.94Å

Retrieved 413 of 413 residues in 73.5 ms (Link to these results)

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