A0A3Q0KBA7_SCHMA Loading...

Short-chain dehydrogenase/reductase 3 AlphaSync

Catalyzes the reduction of all-trans-retinal to all-trans-retinol in the presence of NADPH.

AlphaFold DB , UniProt , Accession A0A3Q0KBA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M39Very low57.9Low249 Ų249157.7 Ų157.7100%1.22778%0.777SS**  0131.20-114179.1-103.600107.2
2I43Very low60.6Low166 Ų166153.2 Ų153.285%0.85175%0.753SS**  trans-58.5138.5-162.9-66.1159.9000111.1C4I2-C4 PolarHBondContact O-N 2.86Å
3Q40.5Very low63Low180 Ų180146.9 Ų146.984%0.84172%0.724SS**  trans-45.4119.7172.9-75.8168.4-4700109.7E5Q3-E5 VanDerWaalsContact C-N 3.27Å; Q3-E5 PolarHBondContact O-N 3.35Å
4C45Very low65.2Low129 Ų129141.7 Ų141.787%0.87270%0.704SS**  trans-60.696.7163.3-80.10000107.4I2 H6I2-C4 PolarHBondContact O-N 2.86Å; C4-H6 PolarHBondContact O-N 2.95Å; C4-H6 VanDerWaalsContact O-N 3.08Å
5E49.7Very low67.1Low166 Ų166138.1 Ų138.178%0.77669%0.687SS**  trans-49.9117161.9-73.3178.2154.300107.3Q3 R7Q3-E5 VanDerWaalsContact C-N 3.27Å; Q3-E5 PolarHBondContact O-N 3.35Å; E5-R7 PolarHBondContact O-N 3.26Å
6H55.7Low68.8Low194 Ų194136.3 Ų136.390%0.89868%0.676SS**  trans-58.283.6164-96.4-33.3000108.1C4 M8C4-H6 PolarHBondContact O-N 2.95Å; C4-H6 VanDerWaalsContact O-N 3.08Å; H6-M8 VanDerWaalsContact C-N 3.31Å; H6-M8 PolarHBondContact O-N 2.83Å
7R56.9Low70.4Confident198 Ų198134.4 Ų134.475%0.74767%0.665SS**  trans-65102.6153.6-80.2-171.1-173.7-173.23105.2E5E5-R7 PolarHBondContact O-N 3.26Å
8M62Low71.8Confident118 Ų118131.5 Ų131.558%0.58165%0.651SS**  trans-49129.6158.1-70.4-176.6-161.800106.9H6 H10H6-M8 VanDerWaalsContact C-N 3.31Å; H6-M8 PolarHBondContact O-N 2.83Å; M8-H10 PolarHBondContact O-N 3.14Å
9P73.9Confident73Confident70 Ų70128 Ų12846%0.45564%0.637SS.*  trans-58.5131.6179.922.4-30.7000108.5L11 E12P9-L11 PolarHBondContact O-N 3.16Å; P9-E12 WeakPolarHBondContact CD-OE2 3.27Å; P9-E12 HydrophobicContact CG-CB 4.4Å; P9-E12 HydrophobicContact CG-CG 3.91Å; P9-E12 PolarHBondContact O-N 3.37Å
10H83.3Confident74.2Confident142 Ų142127.5 Ų127.566%0.65763%0.631SS**Hα-helixtrans-46.6-28.6-175.4-69.9-75.9000114.2M8 V14M8-H10 PolarHBondContact O-N 3.14Å; H10-V14 WeakPolarHBondContact O-CG2 3.43Å; H10-V14 PolarHBondContact O-N 2.87Å; H10-V14 VanDerWaalsContact O-N 3.14Å
11L88.3Confident75.2Confident123 Ų123125.9 Ų125.964%0.64462%0.624SS**Hα-helixtrans-64.3-42.2176-175.761.5000113.7P9 V14 I15P9-L11 PolarHBondContact O-N 3.16Å; L11-V14 PolarHBondContact O-N 3.41Å; L11-I15 HydrophobicContact CD1-CD1 4.3Å; L11-I15 HydrophobicContact CG-CD1 4Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.21Å; L11-I15 PolarHBondContact O-N 3.44Å
12E90.5Very high78Confident103 Ų103120.8 Ų120.848%0.48160%0.595SS.*Hα-helixtrans-64.5-45.1179.7-75.3175.8-178.800111P9 V14 I15 E16P9-E12 WeakPolarHBondContact CD-OE2 3.27Å; P9-E12 HydrophobicContact CG-CB 4.4Å; P9-E12 HydrophobicContact CG-CG 3.91Å; P9-E12 PolarHBondContact O-N 3.37Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 2.98Å; E12-I15 WeakPolarHBondContact O-CB 3.49Å; E12-I15 PolarHBondContact O-N 3.35Å; E12-I15 VanDerWaalsContact O-N 3.16Å; E12-E16 WeakPolarHBondContact O-CG 3.47Å; E12-E16 PolarHBondContact O-N 2.87Å
13L91.8Very high80.5Confident72 Ų72119.6 Ų119.638%0.37758%0.584SS.*Hα-helixtrans-62.1-40.3176.7-175.966.3000112E16 H17L13-E16 PolarHBondContact O-N 3.21Å; L13-H17 PolarHBondContact O-CD2 3.25Å; L13-H17 PolarHBondContact O-N 3.37Å
14V93.1Very high83.1Confident74 Ų74115.4 Ų115.445%0.44857%0.567SS.*Hα-helixtrans-63-43.1174.9169.10000110.8H10 L11 E12 H17 I18H10-V14 WeakPolarHBondContact O-CG2 3.43Å; H10-V14 PolarHBondContact O-N 2.87Å; H10-V14 VanDerWaalsContact O-N 3.14Å; L11-V14 PolarHBondContact O-N 3.41Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 2.98Å; V14-H17 PolarHBondContact O-N 2.9Å; V14-I18 HydrophobicContact CG1-CD1 3.8Å; V14-I18 HydrophobicContact CG1-CG1 4.48Å; V14-I18 VanDerWaalsContact O-CG1 3.26Å; V14-I18 WeakPolarHBondContact O-CG1 3.29Å; V14-I18 PolarHBondContact O-N 2.97Å
15I94.3Very high85.6Confident87 Ų87114.2 Ų114.245%0.44655%0.551SS.*Hα-helixtrans-61.8-44.9175.6-68.7165.2000110.6L11 E12 H17 I18 V19L11-I15 HydrophobicContact CD1-CD1 4.3Å; L11-I15 HydrophobicContact CG-CD1 4Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.21Å; L11-I15 PolarHBondContact O-N 3.44Å; E12-I15 WeakPolarHBondContact O-CB 3.49Å; E12-I15 PolarHBondContact O-N 3.35Å; E12-I15 VanDerWaalsContact O-N 3.16Å; I15-H17 PolarHBondContact O-N 3.33Å; I15-I18 PolarHBondContact O-N 3.38Å; I15-V19 HydrophobicContact CG2-CG2 4.24Å; I15-V19 WeakPolarHBondContact O-CB 3.46Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.26Å; I15-V19 PolarHBondContact O-N 3.42Å
16E94.4Very high87.8Confident110 Ų110114.4 Ų114.451%0.51455%0.545SS..Hα-helixtrans-59.1-44.4176.8-74.6-174.7170.700112.3E12 L13 V19 F20E12-E16 WeakPolarHBondContact O-CG 3.47Å; E12-E16 PolarHBondContact O-N 2.87Å; L13-E16 PolarHBondContact O-N 3.21Å; E16-V19 PolarHBondContact O-N 3.39Å; E16-F20 VanDerWaalsContact O-CB 3.26Å; E16-F20 WeakPolarHBondContact O-CB 3.29Å; E16-F20 PolarHBondContact O-N 2.98Å
17H94.9Very high89.7Confident104 Ų104107.6 Ų107.648%0.48152%0.519SS..Hα-helixtrans-63.4-42.7175.8-72.7-31.8000112.4L13 V14 I15 F20 I21L13-H17 PolarHBondContact O-CD2 3.25Å; L13-H17 PolarHBondContact O-N 3.37Å; V14-H17 PolarHBondContact O-N 2.9Å; I15-H17 PolarHBondContact O-N 3.33Å; H17-F20 PolarHBondContact O-N 2.94Å; H17-I21 VanDerWaalsContact O-CG1 3.26Å; H17-I21 WeakPolarHBondContact O-CG1 3.21Å; H17-I21 PolarHBondContact O-N 3.38Å
18I95.7Very high91.5Very high82 Ų82106.1 Ų106.142%0.42151%0.514SS..Hα-helixtrans-61.7-49.2176.2-69.7167000110.3V14 I15 F20 I21 F22V14-I18 HydrophobicContact CG1-CD1 3.8Å; V14-I18 HydrophobicContact CG1-CG1 4.48Å; V14-I18 VanDerWaalsContact O-CG1 3.26Å; V14-I18 WeakPolarHBondContact O-CG1 3.29Å; V14-I18 PolarHBondContact O-N 2.97Å; I15-I18 PolarHBondContact O-N 3.38Å; I18-F20 VanDerWaalsContact C-N 3.29Å; I18-F20 PolarHBondContact O-N 3.45Å; I18-I21 PolarHBondContact O-N 3.46Å; I18-F22 HydrophobicContact CG2-CD2 3.7Å; I18-F22 HydrophobicContact CG2-CE2 3.52Å; I18-F22 WeakPolarHBondContact O-CD2 3.26Å; I18-F22 PolarHBondContact O-N 2.89Å
19V95.9Very high93.1Very high65 Ų65106.8 Ų106.839%0.39451%0.514SS..Hα-helixtrans-59.7-41177.5170.10000111I15 E16 F22 K23I15-V19 HydrophobicContact CG2-CG2 4.24Å; I15-V19 WeakPolarHBondContact O-CB 3.46Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.26Å; I15-V19 PolarHBondContact O-N 3.42Å; E16-V19 PolarHBondContact O-N 3.39Å; V19-F22 PolarHBondContact O-N 3.19Å; V19-K23 HydrophobicContact CG1-CD 4.27Å; V19-K23 WeakPolarHBondContact O-CG 3.37Å; V19-K23 PolarHBondContact O-N 2.85Å
20F96Very high94.1Very high118 Ų118109.4 Ų109.452%0.51852%0.515SS..Hα-helixtrans-64.2-43.7176.6-179.4-112.4000112.2E16 H17 I18 F22 K23 L24E16-F20 VanDerWaalsContact O-CB 3.26Å; E16-F20 WeakPolarHBondContact O-CB 3.29Å; E16-F20 PolarHBondContact O-N 2.98Å; H17-F20 PolarHBondContact O-N 2.94Å; I18-F20 VanDerWaalsContact C-N 3.29Å; I18-F20 PolarHBondContact O-N 3.45Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-F22 PolarHBondContact O-N 3.21Å; F20-K23 WeakPolarHBondContact O-CB 3.26Å; F20-K23 PolarHBondContact O-N 3.08Å; F20-L24 HydrophobicContact CD1-CD1 3.9Å; F20-L24 HydrophobicContact CD1-CG 4.37Å; F20-L24 HydrophobicContact CE1-CD1 3.43Å; F20-L24 VanDerWaalsContact CE1-CD1 3.43Å; F20-L24 HydrophobicContact CE1-CD2 4.49Å; F20-L24 HydrophobicContact CE1-CG 4.02Å; F20-L24 HydrophobicContact CE2-CD2 4.29Å; F20-L24 HydrophobicContact CE2-CG 4.23Å; F20-L24 HydrophobicContact CZ-CD1 3.78Å; F20-L24 HydrophobicContact CZ-CD2 3.98Å; F20-L24 HydrophobicContact CZ-CG 3.94Å; F20-L24 WeakPolarHBondContact O-CG 3.19Å; F20-L24 PolarHBondContact O-N 2.73Å
21I96.3Very high94.6Very high94 Ų94107.2 Ų107.248%0.48251%0.505SS..Hα-helixtrans-59.7-44.8174.8-69.2163.7000110.6H17 I18 K23 L24 L25H17-I21 VanDerWaalsContact O-CG1 3.26Å; H17-I21 WeakPolarHBondContact O-CG1 3.21Å; H17-I21 PolarHBondContact O-N 3.38Å; I18-I21 PolarHBondContact O-N 3.46Å; I21-K23 PolarHBondContact O-N 3.05Å; I21-L24 WeakPolarHBondContact O-CB 3.47Å; I21-L24 PolarHBondContact O-N 2.84Å; I21-L25 HydrophobicContact CG2-CD1 4.05Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 2.91Å
22F97Very high94.8Very high141 Ų141103.9 Ų103.962%0.61849%0.49SS*.Hα-helixtrans-61.4-42.5175.3-81.5-67.9000112.5I18 V19 F20 L24 L25 W26I18-F22 HydrophobicContact CG2-CD2 3.7Å; I18-F22 HydrophobicContact CG2-CE2 3.52Å; I18-F22 WeakPolarHBondContact O-CD2 3.26Å; I18-F22 PolarHBondContact O-N 2.89Å; V19-F22 PolarHBondContact O-N 3.19Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-F22 PolarHBondContact O-N 3.21Å; F22-L24 VanDerWaalsContact C-N 3.32Å; F22-L24 PolarHBondContact O-N 3.47Å; F22-L25 PolarHBondContact O-N 2.87Å; F22-W26 VanDerWaalsContact O-CB 3.29Å; F22-W26 WeakPolarHBondContact O-CB 3.48Å; F22-W26 PolarHBondContact O-N 3.19Å
23K95.2Very high95Very high141 Ų141100.6 Ų100.661%0.61348%0.48SS*.Hα-helixtrans-60.6-41.3174.3-75175.1179.7177.30111.8V19 F20 I21 C27V19-K23 HydrophobicContact CG1-CD 4.27Å; V19-K23 WeakPolarHBondContact O-CG 3.37Å; V19-K23 PolarHBondContact O-N 2.85Å; F20-K23 WeakPolarHBondContact O-CB 3.26Å; F20-K23 PolarHBondContact O-N 3.08Å; I21-K23 PolarHBondContact O-N 3.05Å; K23-C27 WeakPolarHBondContact O-CB 3.38Å; K23-C27 PolarHBondContact O-N 2.88Å
24L95.6Very high95Very high92 Ų92100 Ų10048%0.48248%0.482SS..Hα-helixtrans-64.2-48.1176.6-74.3178.4000111.9F20 I21 F22 W26 C27 Y28F20-L24 HydrophobicContact CD1-CD1 3.9Å; F20-L24 HydrophobicContact CD1-CG 4.37Å; F20-L24 HydrophobicContact CE1-CD1 3.43Å; F20-L24 VanDerWaalsContact CE1-CD1 3.43Å; F20-L24 HydrophobicContact CE1-CD2 4.49Å; F20-L24 HydrophobicContact CE1-CG 4.02Å; F20-L24 HydrophobicContact CE2-CD2 4.29Å; F20-L24 HydrophobicContact CE2-CG 4.23Å; F20-L24 HydrophobicContact CZ-CD1 3.78Å; F20-L24 HydrophobicContact CZ-CD2 3.98Å; F20-L24 HydrophobicContact CZ-CG 3.94Å; F20-L24 WeakPolarHBondContact O-CG 3.19Å; F20-L24 PolarHBondContact O-N 2.73Å; I21-L24 WeakPolarHBondContact O-CB 3.47Å; I21-L24 PolarHBondContact O-N 2.84Å; F22-L24 VanDerWaalsContact C-N 3.32Å; F22-L24 PolarHBondContact O-N 3.47Å; L24-W26 PolarHBondContact O-N 2.85Å; L24-C27 PolarHBondContact O-N 3.37Å; L24-Y28 WeakPolarHBondContact O-CB 3.45Å; L24-Y28 PolarHBondContact O-N 3.5Å
25L96.8Very high94.8Very high104 Ų104103.4 Ų103.455%0.54549%0.488SS..Hα-helixtrans-62.4-42.9178.3-69.8174.4000111.7I21 F22 Y28 F29I21-L25 HydrophobicContact CG2-CD1 4.05Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 2.91Å; F22-L25 PolarHBondContact O-N 2.87Å; L25-Y28 PolarHBondContact O-N 2.92Å; L25-F29 WeakPolarHBondContact O-CB 3.4Å; L25-F29 PolarHBondContact O-N 3.41Å
26W96.7Very high94.8Very high170 Ų170103.4 Ų103.464%0.64449%0.488SS*.Hα-helixtrans-62.9-45.9175.3178.4-109.2000112F22 L24 F29 R30F22-W26 VanDerWaalsContact O-CB 3.29Å; F22-W26 WeakPolarHBondContact O-CB 3.48Å; F22-W26 PolarHBondContact O-N 3.19Å; L24-W26 PolarHBondContact O-N 2.85Å; W26-F29 HydrophobicContact CZ3-CD1 4.41Å; W26-F29 PolarHBondContact O-N 3.33Å; W26-R30 VanDerWaalsContact O-CB 3.29Å; W26-R30 WeakPolarHBondContact O-CB 3.29Å; W26-R30 PolarHBondContact O-N 2.88Å
27C94.8Very high94.7Very high51 Ų51103.7 Ų103.735%0.34549%0.492SS..Hα-helixtrans-58.5-49.7175.6-173.10000110.5K23 L24 F29 R30 E31K23-C27 WeakPolarHBondContact O-CB 3.38Å; K23-C27 PolarHBondContact O-N 2.88Å; L24-C27 PolarHBondContact O-N 3.37Å; C27-F29 PolarHBondContact O-N 3.37Å; C27-R30 PolarHBondContact O-N 2.91Å; C27-E31 WeakPolarHBondContact O-CG 3.45Å; C27-E31 PolarHBondContact O-N 3.4Å
28Y94.7Very high94.5Very high167 Ų167101.5 Ų101.566%0.65548%0.482SS*.Hα-helixtrans-56.3-50.1177.1178-97.6000112.2L24 L25 R30 E31 V32L24-Y28 WeakPolarHBondContact O-CB 3.45Å; L24-Y28 PolarHBondContact O-N 3.5Å; L25-Y28 PolarHBondContact O-N 2.92Å; Y28-R30 PolarHBondContact O-N 3.31Å; Y28-E31 PolarHBondContact O-N 3.45Å; Y28-V32 HydrophobicContact CD1-CG2 4.28Å; Y28-V32 HydrophobicContact CD2-CG2 4.37Å; Y28-V32 HydrophobicContact CE1-CG2 3.86Å; Y28-V32 HydrophobicContact CE2-CG2 3.97Å; Y28-V32 WeakPolarHBondContact O-CB 3.32Å; Y28-V32 VanDerWaalsContact O-CG2 3.31Å; Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; Y28-V32 PolarHBondContact O-N 3.24Å
29F96.9Very high94.2Very high133 Ų133103.7 Ų103.758%0.58349%0.489SS*.Hα-helixtrans-60-45.4178.2179-95.8000111.9L25 W26 C27 V32 A33L25-F29 WeakPolarHBondContact O-CB 3.4Å; L25-F29 PolarHBondContact O-N 3.41Å; W26-F29 HydrophobicContact CZ3-CD1 4.41Å; W26-F29 PolarHBondContact O-N 3.33Å; C27-F29 PolarHBondContact O-N 3.37Å; F29-V32 PolarHBondContact O-N 2.86Å; F29-A33 VanDerWaalsContact O-CB 3.32Å; F29-A33 WeakPolarHBondContact O-CB 3.31Å; F29-A33 PolarHBondContact O-N 3.42Å
30R95Very high94.1Very high124 Ų124107 Ų10747%0.46850%0.503SS..Hα-helixtrans-60.2-46.1177.1-173.8-169.271.7-1751.9111.6W26 C27 Y28 A33 S34W26-R30 VanDerWaalsContact O-CB 3.29Å; W26-R30 WeakPolarHBondContact O-CB 3.29Å; W26-R30 PolarHBondContact O-N 2.88Å; C27-R30 PolarHBondContact O-N 2.91Å; Y28-R30 PolarHBondContact O-N 3.31Å; R30-A33 PolarHBondContact O-N 3Å; R30-S34 VanDerWaalsContact O-CB 3.3Å; R30-S34 WeakPolarHBondContact O-CB 3.3Å; R30-S34 PolarHBondContact O-N 2.87Å; R30-S34 PolarHBondContact O-OG 3.43Å
31E92.6Very high93.9Very high96 Ų96105.4 Ų105.445%0.44951%0.506SS..Hα-helixtrans-66.5-39.6179.2-67-47.9126.300111.8C27 Y28 Y35C27-E31 WeakPolarHBondContact O-CG 3.45Å; C27-E31 PolarHBondContact O-N 3.4Å; Y28-E31 PolarHBondContact O-N 3.45Å; E31-Y35 WeakPolarHBondContact O-CB 3.29Å; E31-Y35 PolarHBondContact O-N 2.88Å
32V93.7Very high93.7Very high54 Ų54103.4 Ų103.433%0.32750%0.5SS..Hα-helixtrans-65-45.4174.9170.80000111.1Y28 F29 Y35 I36Y28-V32 HydrophobicContact CD1-CG2 4.28Å; Y28-V32 HydrophobicContact CD2-CG2 4.37Å; Y28-V32 HydrophobicContact CE1-CG2 3.86Å; Y28-V32 HydrophobicContact CE2-CG2 3.97Å; Y28-V32 WeakPolarHBondContact O-CB 3.32Å; Y28-V32 VanDerWaalsContact O-CG2 3.31Å; Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; Y28-V32 PolarHBondContact O-N 3.24Å; F29-V32 PolarHBondContact O-N 2.86Å; V32-Y35 PolarHBondContact O-N 3.24Å; V32-I36 HydrophobicContact CG1-CD1 3.82Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 VanDerWaalsContact O-CG1 3.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.31Å; V32-I36 PolarHBondContact O-N 2.85Å
33A94.6Very high93.5Very high34 Ų34101.6 Ų101.628%0.28150%0.5SS..Hα-helixtrans-61.7-48.617700000111.3F29 R30 Y35 I36 L37F29-A33 VanDerWaalsContact O-CB 3.32Å; F29-A33 WeakPolarHBondContact O-CB 3.31Å; F29-A33 PolarHBondContact O-N 3.42Å; R30-A33 PolarHBondContact O-N 3Å; A33-Y35 VanDerWaalsContact C-N 3.31Å; A33-Y35 PolarHBondContact O-N 2.92Å; A33-I36 PolarHBondContact O-N 3.3Å; A33-L37 WeakPolarHBondContact O-CB 3.32Å; A33-L37 VanDerWaalsContact O-CG 3.31Å; A33-L37 WeakPolarHBondContact O-CG 3.21Å; A33-L37 PolarHBondContact O-N 2.85Å
34S90.8Very high93.6Very high58 Ų5899.5 Ų99.541%0.40649%0.488SS..Hα-helixtrans-58.1-42.1174.7-67.70000111.9R30 L37 Q38R30-S34 VanDerWaalsContact O-CB 3.3Å; R30-S34 WeakPolarHBondContact O-CB 3.3Å; R30-S34 PolarHBondContact O-N 2.87Å; R30-S34 PolarHBondContact O-OG 3.43Å; S34-L37 PolarHBondContact O-N 2.87Å; S34-Q38 VanDerWaalsContact O-CB 3.29Å; S34-Q38 WeakPolarHBondContact O-CB 3.29Å; S34-Q38 PolarHBondContact O-N 3.43Å
35Y90.1Very high93.6Very high147 Ų14797.1 Ų97.158%0.57647%0.474SS*.Hα-helixtrans-62.4-46176.3177.6-95.9000112.2E31 V32 A33 Q38 K39E31-Y35 WeakPolarHBondContact O-CB 3.29Å; E31-Y35 PolarHBondContact O-N 2.88Å; V32-Y35 PolarHBondContact O-N 3.24Å; A33-Y35 VanDerWaalsContact C-N 3.31Å; A33-Y35 PolarHBondContact O-N 2.92Å; Y35-Q38 PolarHBondContact O-N 3.44Å; Y35-K39 HydrophobicContact CD1-CG 4.46Å; Y35-K39 HydrophobicContact CE1-CG 4.07Å; Y35-K39 WeakPolarHBondContact O-CG 3.46Å; Y35-K39 PolarHBondContact O-N 2.78Å; Y35-K39 WeakPolarHBondContact OH-CE 3.21Å
36I93.3Very high93.6Very high87 Ų8797 Ų9745%0.44647%0.474SS..Hα-helixtrans-62.4-46.9177.3-68.8166.7000110.2V32 A33 Q38 K39 I40V32-I36 HydrophobicContact CG1-CD1 3.82Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 VanDerWaalsContact O-CG1 3.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.31Å; V32-I36 PolarHBondContact O-N 2.85Å; A33-I36 PolarHBondContact O-N 3.3Å; I36-Q38 VanDerWaalsContact C-N 3.34Å; I36-Q38 PolarHBondContact O-N 3.38Å; I36-K39 WeakPolarHBondContact O-CB 3.37Å; I36-K39 PolarHBondContact O-N 3.14Å; I36-K39 VanDerWaalsContact O-N 3.09Å; I36-I40 HydrophobicContact CG2-CD1 3.72Å; I36-I40 HydrophobicContact CG2-CG1 4.47Å; I36-I40 WeakPolarHBondContact O-CG1 3.4Å; I36-I40 PolarHBondContact O-N 3.27Å
37L93.2Very high93.7Very high115 Ų11588.9 Ų88.960%0.60244%0.444SS*.Hα-helixtrans-59.2-44.9177-72.3172.7000111.5A33 S34 K39 I40 S41A33-L37 WeakPolarHBondContact O-CB 3.32Å; A33-L37 VanDerWaalsContact O-CG 3.31Å; A33-L37 WeakPolarHBondContact O-CG 3.21Å; A33-L37 PolarHBondContact O-N 2.85Å; S34-L37 PolarHBondContact O-N 2.87Å; L37-K39 PolarHBondContact O-N 3.02Å; L37-I40 PolarHBondContact O-N 3.09Å; L37-I40 VanDerWaalsContact O-N 3.14Å; L37-S41 CarbonylContact O-C 3.57Å; L37-S41 PolarHBondContact O-N 3.06Å
38Q89.8Confident93.8Very high59 Ų5989.2 Ų89.228%0.27645%0.447SS..Hα-helixtrans-64.3-26.3177.5-164.768.916.200112.7S34 Y35 I36 P42 V43 L285S34-Q38 VanDerWaalsContact O-CB 3.29Å; S34-Q38 WeakPolarHBondContact O-CB 3.29Å; S34-Q38 PolarHBondContact O-N 3.43Å; Y35-Q38 PolarHBondContact O-N 3.44Å; I36-Q38 VanDerWaalsContact C-N 3.34Å; I36-Q38 PolarHBondContact O-N 3.38Å; Q38-P42 VanDerWaalsContact O-CA 3.25Å; Q38-P42 WeakPolarHBondContact O-CA 3.37Å; Q38-P42 WeakPolarHBondContact O-CB 3.33Å; Q38-V43 VanDerWaalsContact NE2-N 3.12Å; Q38-V43 PolarHBondContact NE2-O 2.69Å; Q38-L285 HydrophobicContact CG-CD2 4.45Å
39K89.1Confident93.9Very high128 Ų12884.9 Ų84.956%0.55744%0.441SS*.Hα-helixtrans-77.9-34.8173.5-72.7-65.1-177.3-167.40113.1Y35 I36 L37Y35-K39 HydrophobicContact CD1-CG 4.46Å; Y35-K39 HydrophobicContact CE1-CG 4.07Å; Y35-K39 WeakPolarHBondContact O-CG 3.46Å; Y35-K39 PolarHBondContact O-N 2.78Å; Y35-K39 WeakPolarHBondContact OH-CE 3.21Å; I36-K39 WeakPolarHBondContact O-CB 3.37Å; I36-K39 PolarHBondContact O-N 3.14Å; I36-K39 VanDerWaalsContact O-N 3.09Å; L37-K39 PolarHBondContact O-N 3.02Å
40I93.5Very high94Very high134 Ų13478.7 Ų78.769%0.68741%0.413SS*.Hα-helixtrans-79.9-44.8179.8-64.9169.6000110.8I36 L37I36-I40 HydrophobicContact CG2-CD1 3.72Å; I36-I40 HydrophobicContact CG2-CG1 4.47Å; I36-I40 WeakPolarHBondContact O-CG1 3.4Å; I36-I40 PolarHBondContact O-N 3.27Å; L37-I40 PolarHBondContact O-N 3.09Å; L37-I40 VanDerWaalsContact O-N 3.14Å
41S92.4Very high94.1Very high85 Ų8573.2 Ų73.259%0.59439%0.394SS*.SBendtrans-134.585.9-179.2-166.20000109.5L37 V43L37-S41 CarbonylContact O-C 3.57Å; L37-S41 PolarHBondContact O-N 3.06Å; S41-V43 PolarHBondContact O-N 3.23Å
42P92.3Very high94.4Very high52 Ų5268.6 Ų68.634%0.33837%0.372SS..  trans-67.9119-177.525.2-32.9000111.3Q38 Y44 L285Q38-P42 VanDerWaalsContact O-CA 3.25Å; Q38-P42 WeakPolarHBondContact O-CA 3.37Å; Q38-P42 WeakPolarHBondContact O-CB 3.33Å; P42-Y44 HydrophobicContact CB-CD2 4.39Å; P42-Y44 HydrophobicContact CB-CE2 3.71Å; P42-Y44 HydrophobicContact CG-CE2 3.75Å; P42-L285 HydrophobicContact CB-CD2 3.73Å
43V93.2Very high94.7Very high102 Ų10266 Ų6662%0.61836%0.357SS*.  trans-88.1112170.4-177.30000109Q38 S41Q38-V43 VanDerWaalsContact NE2-N 3.12Å; Q38-V43 PolarHBondContact NE2-O 2.69Å; S41-V43 PolarHBondContact O-N 3.23Å
44Y95.9Very high94.9Very high97 Ų9764.4 Ų64.438%0.3834%0.343SS..PPolyproline II helixtrans-94.6125175.4-62.8-84.8000109.8P42 R284 L285P42-Y44 HydrophobicContact CB-CD2 4.39Å; P42-Y44 HydrophobicContact CB-CE2 3.71Å; P42-Y44 HydrophobicContact CG-CE2 3.75Å; Y44-R284 CarbonylContact C-O 3.57Å; Y44-R284 WeakPolarHBondContact CA-O 3.39Å; Y44-R284 HydrophobicContact CD1-CB 3.69Å; Y44-R284 HydrophobicContact CG-CB 4.44Å; Y44-L285 HydrophobicContact CD1-CD2 3.7Å; Y44-L285 HydrophobicContact CD1-CG 3.86Å; Y44-L285 HydrophobicContact CE1-CD1 4Å; Y44-L285 HydrophobicContact CE1-CD2 3.53Å; Y44-L285 HydrophobicContact CE1-CG 3.64Å; Y44-L285 HydrophobicContact CG-CD2 4.29Å
45K95.8Very high95.3Very high42 Ų4261.7 Ų61.718%0.18332%0.324CS..PPolyproline II helixtrans-66.4146.2170.374.4177.6-179.5-161.20110.6L47 H195 V283 R284 N286K45-L47 HydrophobicContact CD-CD2 4.29Å; K45-L47 HydrophobicContact CG-CD2 4.1Å; K45-H195 PolarHBondContact NZ-ND1 2.89Å; K45-V283 WeakPolarHBondContact CE-O 3.45Å; K45-V283 PolarHBondContact NZ-O 3.07Å; K45-R284 PolarHBondContact N-O 3.48Å; K45-N286 WeakPolarHBondContact CD-OD1 3.49Å; K45-N286 PolarHBondContact NZ-OD1 2.72Å
46D97.4Very high95.7Very high101 Ų10155.1 Ų55.154%0.5430%0.301SS..PPolyproline II helixtrans-75.6135.1172.9-176.524.6000110.9S48 R193D46-S48 VanDerWaalsContact CG-OG 3.31Å; D46-S48 VanDerWaalsContact OD1-CB 3.31Å; D46-S48 WeakPolarHBondContact OD1-CB 3.25Å; D46-S48 PolarHBondContact OD1-N 3.1Å; D46-S48 PolarHBondContact OD1-OG 3.24Å; D46-S48 PolarHBondContact OD2-OG 3.03Å; D46-R193 PolarHBondContact O-NH2 3.39Å
47L98.2Very high95.9Very high1 Ų151 Ų511%0.00528%0.28CS..  trans-110.91178.7-58-178.4000112.6K45 S49 D50 I52 F69 F72 C73 V283 R284K45-L47 HydrophobicContact CD-CD2 4.29Å; K45-L47 HydrophobicContact CG-CD2 4.1Å; L47-S49 PolarHBondContact O-N 3.06Å; L47-S49 VanDerWaalsContact O-N 3.08Å; L47-D50 WeakPolarHBondContact CA-OD2 3.49Å; L47-D50 WeakPolarHBondContact CD2-OD2 3.41Å; L47-D50 WeakPolarHBondContact O-CB 3.46Å; L47-D50 PolarHBondContact O-N 3.03Å; L47-I52 HydrophobicContact CD1-CD1 4.27Å; L47-F69 HydrophobicContact CD1-CD1 4.07Å; L47-F69 HydrophobicContact CD1-CE1 4.17Å; L47-F72 CarbonylContact C-O 3.52Å; L47-F72 HydrophobicContact CB-CB 4.24Å; L47-F72 HydrophobicContact CD1-CB 4.33Å; L47-C73 HydrophobicContact CB-CB 4.16Å; L47-C73 WeakPolarHBondContact O-CB 3.42Å; L47-C73 PolarHBondContact O-SG 3.38Å; L47-V283 HydrophobicContact CD2-CG1 4.47Å; L47-R284 HydrophobicContact CD1-CG 3.67Å; L47-R284 HydrophobicContact CG-CG 4.11Å
48S97.8Very high96.1Very high58 Ų5845.5 Ų45.541%0.40625%0.251SS..THydrogen-bonded Turntrans-57.9-28-173.169.30000114.3D46 F72 P74D46-S48 VanDerWaalsContact CG-OG 3.31Å; D46-S48 VanDerWaalsContact OD1-CB 3.31Å; D46-S48 WeakPolarHBondContact OD1-CB 3.25Å; D46-S48 PolarHBondContact OD1-N 3.1Å; D46-S48 PolarHBondContact OD1-OG 3.24Å; D46-S48 PolarHBondContact OD2-OG 3.03Å; S48-F72 WeakPolarHBondContact CA-O 3.19Å; S48-F72 PolarHBondContact N-O 2.95Å; S48-P74 VanDerWaalsContact O-CD 3.28Å; S48-P74 WeakPolarHBondContact O-CD 3.49Å
49S96.4Very high96.5Very high76 Ų7646.2 Ų46.253%0.53126%0.257SS..THydrogen-bonded Turntrans-104.23.8-179.860.20000114.1L47L47-S49 PolarHBondContact O-N 3.06Å; L47-S49 VanDerWaalsContact O-N 3.08Å
50D98.1Very high96.8Very high2 Ų241.1 Ų41.11%0.01124%0.24CC..  trans-78.5162178.7-78.2-54.4000112.1L47 I52 C73 N75 T129 V130 R193L47-D50 WeakPolarHBondContact CA-OD2 3.49Å; L47-D50 WeakPolarHBondContact CD2-OD2 3.41Å; L47-D50 WeakPolarHBondContact O-CB 3.46Å; L47-D50 PolarHBondContact O-N 3.03Å; D50-I52 HydrophobicContact CB-CG1 4.18Å; D50-C73 PolarHBondContact O-SG 3.24Å; D50-N75 WeakPolarHBondContact O-CB 3.38Å; D50-N75 PolarHBondContact O-ND2 2.83Å; D50-N75 VanDerWaalsContact O-ND2 3.13Å; D50-T129 VanDerWaalsContact CA-OG1 3.27Å; D50-T129 WeakPolarHBondContact CA-OG1 3.15Å; D50-T129 VanDerWaalsContact CB-OG1 3.23Å; D50-T129 WeakPolarHBondContact CB-OG1 3.49Å; D50-T129 VanDerWaalsContact CG-OG1 3.27Å; D50-T129 WeakPolarHBondContact OD1-CB 3.19Å; D50-T129 PolarHBondContact OD1-OG1 3.33Å; D50-V130 HydrophobicContact CB-CG2 4.24Å; D50-R193 VanDerWaalsContact CG-NH2 3.34Å; D50-R193 IonicContact OD1-CZ 2.66Å; D50-R193 IonicContact OD1-NE 3.63Å; D50-R193 PolarHBondContact OD1-NE 2.79Å; D50-R193 IonicContact OD1-NH2 3.88Å; D50-R193 PolarHBondContact OD1-NH2 2.82Å; D50-R193 IonicContact OD2-CZ 3.67Å; D50-R193 IonicContact OD2-NE 2.7Å; D50-R193 IonicContact OD2-NH2 3.59Å; D50-R193 PolarHBondContact OD2-NH2 2.9Å
51V98.6Very high97Very high9 Ų935.7 Ų35.76%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-118.8111.6166.2-1800000106.8N75 I77 F125 K127 T129 V130V51-N75 HydrophobicContact CG2-CB 4.18Å; V51-I77 HydrophobicContact CG1-CD1 3.68Å; V51-I77 HydrophobicContact CG1-CG1 4.3Å; V51-F125 HydrophobicContact CG1-CB 4Å; V51-F125 HydrophobicContact CG1-CD1 3.9Å; V51-F125 HydrophobicContact CG1-CG 4.02Å; V51-F125 HydrophobicContact CG2-CB 4.41Å; V51-F125 HydrophobicContact CG2-CD1 4.36Å; V51-K127 WeakPolarHBondContact CB-O 3.44Å; V51-K127 WeakPolarHBondContact CG1-O 3.08Å; V51-T129 PolarHBondContact N-OG1 2.63Å; V51-T129 PolarHBondContact O-N 3.24Å; V51-T129 PolarHBondContact O-OG1 3.4Å; V51-V130 PolarHBondContact O-N 3.07Å
52I98.8Very high97.3Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-106116.3-171-52.2-173.8000109.6L47 D50 V54 F69 C73 N75 I76 I77 V130 V132L47-I52 HydrophobicContact CD1-CD1 4.27Å; D50-I52 HydrophobicContact CB-CG1 4.18Å; I52-V54 HydrophobicContact CG2-CG2 4Å; I52-F69 HydrophobicContact CD1-CB 4.1Å; I52-F69 HydrophobicContact CD1-CD1 3.45Å; I52-F69 VanDerWaalsContact CD1-CD1 3.45Å; I52-F69 HydrophobicContact CD1-CE1 3.99Å; I52-F69 HydrophobicContact CD1-CG 3.86Å; I52-F69 HydrophobicContact CG2-CD1 4.38Å; I52-F69 HydrophobicContact CG2-CD2 3.94Å; I52-F69 HydrophobicContact CG2-CE1 4.48Å; I52-F69 HydrophobicContact CG2-CE2 4.07Å; I52-F69 HydrophobicContact CG2-CG 4.12Å; I52-F69 HydrophobicContact CG2-CZ 4.33Å; I52-C73 HydrophobicContact CD1-CB 3.59Å; I52-C73 HydrophobicContact CG1-CB 4.28Å; I52-N75 PolarHBondContact N-O 2.82Å; I52-I76 HydrophobicContact CB-CG1 4.42Å; I52-I76 CarbonylContact O-C 3.45Å; I52-I76 WeakPolarHBondContact O-CA 3.44Å; I52-I77 PolarHBondContact O-N 2.92Å; I52-V130 CarbonylContact C-O 3.36Å; I52-V130 WeakPolarHBondContact CA-O 3.48Å; I52-V130 HydrophobicContact CB-CB 4.22Å; I52-V130 HydrophobicContact CD1-CG2 4.49Å; I52-V130 HydrophobicContact CG1-CB 3.91Å; I52-V130 HydrophobicContact CG1-CG2 4.04Å; I52-V130 HydrophobicContact CG2-CB 4.04Å; I52-V130 HydrophobicContact CG2-CG1 4.06Å; I52-V132 HydrophobicContact CG2-CG2 4.43Å
53L98.9Very high97.6Very high0 Ų031.7 Ų31.70%018%0.178CC..EExtended strand (participates in β ladder)trans-101.7123.5172.9-170153000110.1T55 I77 V79 V121 V128 V130 L131 V132 F169L53-T55 HydrophobicContact CD2-CG2 3.67Å; L53-I77 CarbonylContact C-O 3.59Å; L53-I77 WeakPolarHBondContact CA-O 3.47Å; L53-I77 HydrophobicContact CB-CB 4.27Å; L53-I77 HydrophobicContact CD1-CG2 4.13Å; L53-I77 HydrophobicContact CG-CB 4.21Å; L53-I77 HydrophobicContact CG-CG2 4.15Å; L53-V79 HydrophobicContact CD1-CG2 4.14Å; L53-V79 HydrophobicContact CD2-CG2 3.87Å; L53-V79 HydrophobicContact CG-CG2 3.92Å; L53-V121 HydrophobicContact CD1-CG1 4.33Å; L53-V121 HydrophobicContact CD1-CG2 4.23Å; L53-V128 HydrophobicContact CB-CG1 3.83Å; L53-V128 HydrophobicContact CB-CG2 4.32Å; L53-V128 HydrophobicContact CD1-CG2 4.28Å; L53-V130 PolarHBondContact N-O 3.46Å; L53-L131 HydrophobicContact CB-CD1 4.4Å; L53-L131 HydrophobicContact CD2-CD1 3.69Å; L53-V132 PolarHBondContact O-N 2.95Å; L53-F169 HydrophobicContact CD1-CE1 4.42Å; L53-F169 HydrophobicContact CD1-CE2 3.74Å; L53-F169 HydrophobicContact CD1-CZ 3.61Å
54V98.9Very high97.8Very high0 Ų028.5 Ų28.50%016%0.157CC..EExtended strand (participates in β ladder)trans-116.9120.1177.8-173.80000110.1I52 A57 M65 F69 I77 V79 V132I52-V54 HydrophobicContact CG2-CG2 4Å; V54-A57 HydrophobicContact CB-CB 4.39Å; V54-A57 HydrophobicContact CG1-CB 4.3Å; V54-A57 WeakPolarHBondContact O-CB 3.42Å; V54-M65 HydrophobicContact CG1-CB 4.4Å; V54-M65 HydrophobicContact CG1-CE 4.16Å; V54-F69 HydrophobicContact CG2-CD2 4.11Å; V54-F69 HydrophobicContact CG2-CE2 4.22Å; V54-I77 PolarHBondContact N-O 3.44Å; V54-V79 PolarHBondContact O-N 2.7Å; V54-V132 HydrophobicContact CB-CB 4.41Å; V54-V132 HydrophobicContact CG1-CB 4.29Å; V54-V132 HydrophobicContact CG1-CG1 4.3Å; V54-V132 HydrophobicContact CG2-CB 4.17Å; V54-V132 HydrophobicContact CG2-CG2 4.15Å
55T98.9Very high98Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-90.1153.4174.167.80000112.3L53 A57 V79 L108 V132 N134 A135 L165L53-T55 HydrophobicContact CD2-CG2 3.67Å; T55-A57 PolarHBondContact O-N 2.73Å; T55-V79 CarbonylContact C-O 3.56Å; T55-V79 WeakPolarHBondContact CA-O 3.48Å; T55-V79 HydrophobicContact CG2-CB 4.37Å; T55-L108 HydrophobicContact CG2-CD1 4.11Å; T55-V132 PolarHBondContact N-O 3.47Å; T55-V132 PolarHBondContact OG1-O 3.33Å; T55-N134 VanDerWaalsContact O-CB 3.27Å; T55-N134 WeakPolarHBondContact O-CB 3.46Å; T55-N134 PolarHBondContact O-ND2 3.09Å; T55-N134 PolarHBondContact OG1-N 2.93Å; T55-A135 PolarHBondContact O-N 3.25Å; T55-A135 PolarHBondContact OG1-N 3.04Å; T55-L165 HydrophobicContact CG2-CD1 3.71Å
56G98.3Very high98.1Very high9 Ų921.9 Ų21.99%0.09313%0.131CC..SBendtrans65.731.2-173.300000111.9G58 G62 V79 D80G56-G58 VanDerWaalsContact C-N 3.29Å; G56-G58 PolarHBondContact O-N 2.74Å; G56-G62 WeakPolarHBondContact O-CA 3.35Å; G56-V79 PolarHBondContact N-O 2.84Å; G56-D80 VanDerWaalsContact CA-OD2 3.22Å; G56-D80 WeakPolarHBondContact CA-OD2 3.5Å
57A98.7Very high98.2Very high0 Ų018.5 Ų18.50%011%0.112CC..THydrogen-bonded Turntrans-82.1-4.1-173.100000113.7V54 T55 N59 A78 V79 D80 L86 T89V54-A57 HydrophobicContact CB-CB 4.39Å; V54-A57 HydrophobicContact CG1-CB 4.3Å; V54-A57 WeakPolarHBondContact O-CB 3.42Å; T55-A57 PolarHBondContact O-N 2.73Å; A57-N59 VanDerWaalsContact C-N 3.27Å; A57-N59 PolarHBondContact O-N 2.91Å; A57-A78 HydrophobicContact CB-CB 3.62Å; A57-V79 PolarHBondContact N-O 2.83Å; A57-D80 PolarHBondContact N-OD2 3.42Å; A57-L86 HydrophobicContact CB-CD2 4.19Å; A57-T89 WeakPolarHBondContact O-CB 3.09Å; A57-T89 WeakPolarHBondContact O-CG2 3.35Å; A57-T89 PolarHBondContact O-OG1 2.97Å
58G97.9Very high98.2Very high0 Ų019.5 Ų19.50%012%0.117CC..THydrogen-bonded Turntrans-70.9-21.5-179.500000113.2G56 R63 D80 G85G56-G58 VanDerWaalsContact C-N 3.29Å; G56-G58 PolarHBondContact O-N 2.74Å; G58-R63 PolarHBondContact O-NE 3.27Å; G58-R63 PolarHBondContact O-NH2 3.21Å; G58-D80 WeakPolarHBondContact CA-OD2 3.23Å; G58-D80 PolarHBondContact N-OD2 2.63Å; G58-G85 CarbonylContact O-C 3.28Å; G58-G85 VanDerWaalsContact O-C 3.28Å; G58-G85 VanDerWaalsContact O-CA 3.24Å; G58-G85 WeakPolarHBondContact O-CA 3.18Å; G58-G85 VanDerWaalsContact O-O 3.1Å
59N96.8Very high98.2Very high75 Ų7516.7 Ų16.740%0.40110%0.098SC..SBendtrans-155.6-174.1-179.668.15000112.7A57 G62 R63A57-N59 VanDerWaalsContact C-N 3.27Å; A57-N59 PolarHBondContact O-N 2.91Å; N59-G62 PolarHBondContact O-N 3.14Å; N59-R63 PolarHBondContact O-N 3.49Å
60G96.4Very high98.3Very high20 Ų2013.5 Ų13.521%0.2068%0.075CC..Hα-helixtrans52.6-140.2168.100000114.3G62 L64G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.04Å; G60-L64 WeakPolarHBondContact O-CG 3.32Å; G60-L64 PolarHBondContact O-N 3.07Å
61I97.3Very high98.3Very high20 Ų2018.7 Ų18.710%0.10310%0.098CC..Hα-helixtrans-68.4-25.7179.653.9169.7000113.2L64 M65 N134 V199 L251 T253 A272 C275I61-L64 PolarHBondContact O-N 3.42Å; I61-M65 WeakPolarHBondContact O-CB 3.29Å; I61-M65 VanDerWaalsContact O-CG 3.29Å; I61-M65 WeakPolarHBondContact O-CG 3.25Å; I61-M65 PolarHBondContact O-N 3.15Å; I61-N134 WeakPolarHBondContact CD1-OD1 3.27Å; I61-N134 VanDerWaalsContact CG1-OD1 3.24Å; I61-N134 WeakPolarHBondContact CG1-OD1 3.44Å; I61-V199 HydrophobicContact CD1-CG1 3.93Å; I61-L251 HydrophobicContact CD1-CD1 4.31Å; I61-L251 HydrophobicContact CG2-CD1 3.75Å; I61-T253 HydrophobicContact CG2-CG2 4.11Å; I61-A272 HydrophobicContact CG2-CB 3.92Å; I61-C275 HydrophobicContact CG2-CB 4.25Å
62G98.4Very high98.3Very high1 Ų120.9 Ų20.91%0.0111%0.107CC..Hα-helixtrans-64.8-47.8176.700000111.8G56 N59 G60 L64 M65 C66 N134G56-G62 WeakPolarHBondContact O-CA 3.35Å; N59-G62 PolarHBondContact O-N 3.14Å; G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.04Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 2.72Å; G62-M65 PolarHBondContact O-N 3.28Å; G62-C66 PolarHBondContact O-N 3.05Å; G62-C66 PolarHBondContact O-SG 3.49Å; G62-N134 WeakPolarHBondContact CA-ND2 3.26Å
63R98.5Very high98.3Very high53 Ų5321 Ų2120%0.211%0.108CC..Hα-helixtrans-55.2-48.4172.2172.3178.4-64.5-171.43.2111.5G58 N59 M65 C66 L67 G85 E88 T89 L92G58-R63 PolarHBondContact O-NE 3.27Å; G58-R63 PolarHBondContact O-NH2 3.21Å; N59-R63 PolarHBondContact O-N 3.49Å; R63-M65 VanDerWaalsContact C-N 3.33Å; R63-M65 PolarHBondContact O-N 3.02Å; R63-C66 WeakPolarHBondContact O-CB 3.41Å; R63-C66 PolarHBondContact O-N 3.13Å; R63-L67 PolarHBondContact O-N 3.5Å; R63-L67 VanDerWaalsContact O-N 3.15Å; R63-G85 PolarHBondContact NH2-O 2.94Å; R63-E88 IonicContact CZ-OE2 2.84Å; R63-E88 IonicContact NH1-OE2 2.63Å; R63-E88 PolarHBondContact NH1-OE2 3.08Å; R63-E88 VanDerWaalsContact NH2-CB 3.34Å; R63-E88 IonicContact NH2-OE2 2.83Å; R63-E88 PolarHBondContact NH2-OE2 2.98Å; R63-T89 HydrophobicContact CB-CG2 4.21Å; R63-T89 WeakPolarHBondContact CB-OG1 3.38Å; R63-T89 HydrophobicContact CG-CG2 3.97Å; R63-T89 VanDerWaalsContact CG-OG1 3.3Å; R63-T89 WeakPolarHBondContact CG-OG1 3.3Å; R63-T89 PolarHBondContact NE-OG1 3.43Å; R63-L92 HydrophobicContact CG-CD2 4.18Å
64L98.6Very high98.2Very high35 Ų3524.3 Ų24.318%0.18313%0.129CC..Hα-helixtrans-68.7-32.8-178.2-64.3170.4000112G60 I61 G62 L67 E68 A272 A276G60-L64 WeakPolarHBondContact O-CG 3.32Å; G60-L64 PolarHBondContact O-N 3.07Å; I61-L64 PolarHBondContact O-N 3.42Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 2.72Å; L64-L67 WeakPolarHBondContact O-CB 3.41Å; L64-L67 PolarHBondContact O-N 2.88Å; L64-E68 WeakPolarHBondContact O-CG 3.41Å; L64-E68 PolarHBondContact O-N 2.81Å; L64-A272 HydrophobicContact CD1-CB 3.56Å; L64-A276 HydrophobicContact CB-CB 3.5Å; L64-A276 VanDerWaalsContact CB-CB 3.5Å
65M98.8Very high98.2Very high0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-65.5-41.4171.9-79.6-173.2-68.400111.6V54 I61 G62 R63 L67 E68 F69 V132 N134 V199 A276 I279V54-M65 HydrophobicContact CG1-CB 4.4Å; V54-M65 HydrophobicContact CG1-CE 4.16Å; I61-M65 WeakPolarHBondContact O-CB 3.29Å; I61-M65 VanDerWaalsContact O-CG 3.29Å; I61-M65 WeakPolarHBondContact O-CG 3.25Å; I61-M65 PolarHBondContact O-N 3.15Å; G62-M65 PolarHBondContact O-N 3.28Å; R63-M65 VanDerWaalsContact C-N 3.33Å; R63-M65 PolarHBondContact O-N 3.02Å; M65-L67 VanDerWaalsContact C-N 3.27Å; M65-L67 PolarHBondContact O-N 2.8Å; M65-E68 PolarHBondContact O-N 2.66Å; M65-F69 HydrophobicContact CB-CD2 4.14Å; M65-F69 HydrophobicContact CB-CE2 4.13Å; M65-F69 WeakPolarHBondContact O-CB 3.45Å; M65-F69 WeakPolarHBondContact O-CD2 3.08Å; M65-F69 PolarHBondContact O-N 3.4Å; M65-V132 HydrophobicContact CE-CG1 3.84Å; M65-V132 HydrophobicContact SD-CG1 3.85Å; M65-N134 HydrophobicContact CE-CB 3.56Å; M65-N134 VanDerWaalsContact CE-OD1 3.3Å; M65-N134 WeakPolarHBondContact CE-OD1 3.41Å; M65-V199 HydrophobicContact CE-CG2 4.5Å; M65-A276 HydrophobicContact CG-CB 3.91Å; M65-I279 HydrophobicContact SD-CB 4.1Å; M65-I279 HydrophobicContact SD-CD1 3.82Å; M65-I279 HydrophobicContact SD-CG2 3.64Å
66C98.9Very high98.2Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-57.3-43.5173-66.70000111.5G62 R63 A70 I76 T89 V93 I101G62-C66 PolarHBondContact O-N 3.05Å; G62-C66 PolarHBondContact O-SG 3.49Å; R63-C66 WeakPolarHBondContact O-CB 3.41Å; R63-C66 PolarHBondContact O-N 3.13Å; C66-A70 VanDerWaalsContact O-CB 3.27Å; C66-A70 WeakPolarHBondContact O-CB 3.48Å; C66-A70 PolarHBondContact O-N 2.93Å; C66-I76 HydrophobicContact CB-CG2 4.35Å; C66-T89 HydrophobicContact CB-CG2 4.03Å; C66-V93 HydrophobicContact CB-CG2 4.04Å; C66-I101 HydrophobicContact CB-CD1 4.48Å
67L98.5Very high98.2Very high30 Ų3026.9 Ų26.916%0.15714%0.141CC..Hα-helixtrans-62.4-44.4176.2-178.166.7000112.6R63 L64 M65 V93 E96 T97R63-L67 PolarHBondContact O-N 3.5Å; R63-L67 VanDerWaalsContact O-N 3.15Å; L64-L67 WeakPolarHBondContact O-CB 3.41Å; L64-L67 PolarHBondContact O-N 2.88Å; M65-L67 VanDerWaalsContact C-N 3.27Å; M65-L67 PolarHBondContact O-N 2.8Å; L67-V93 HydrophobicContact CB-CG2 4.31Å; L67-E96 HydrophobicContact CD1-CB 3.61Å; L67-E96 HydrophobicContact CD1-CG 4.2Å; L67-T97 HydrophobicContact CD1-CG2 3.86Å
68E98.6Very high98.2Very high21 Ų2126.9 Ų26.910%0.09814%0.141CC..Hα-helixtrans-71.7-38.6179.5-70.6-61.3132.100112.7L64 M65 A70 K71 F72 A276 N277 V280L64-E68 WeakPolarHBondContact O-CG 3.41Å; L64-E68 PolarHBondContact O-N 2.81Å; M65-E68 PolarHBondContact O-N 2.66Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-K71 PolarHBondContact O-N 3.31Å; E68-K71 IonicContact OE1-NZ 3.75Å; E68-K71 PolarHBondContact OE1-NZ 2.93Å; E68-K71 IonicContact OE2-NZ 3.37Å; E68-K71 PolarHBondContact OE2-NZ 3.21Å; E68-F72 WeakPolarHBondContact O-CD2 3.33Å; E68-F72 WeakPolarHBondContact O-CE2 3.31Å; E68-A276 HydrophobicContact CG-CB 4.34Å; E68-N277 HydrophobicContact CG-CB 4.27Å; E68-N277 PolarHBondContact OE2-ND2 3.29Å; E68-V280 HydrophobicContact CB-CB 4.15Å; E68-V280 HydrophobicContact CB-CG1 4.49Å; E68-V280 HydrophobicContact CB-CG2 3.56Å
69F98.8Very high98.3Very high0 Ų026.9 Ų26.90%014%0.141CC..Hα-helixtrans-66.2-34.7175.5-80.9-58.1000112.2L47 I52 V54 M65 K71 F72 C73 I76 V132 V280 V283L47-F69 HydrophobicContact CD1-CD1 4.07Å; L47-F69 HydrophobicContact CD1-CE1 4.17Å; I52-F69 HydrophobicContact CD1-CB 4.1Å; I52-F69 HydrophobicContact CD1-CD1 3.45Å; I52-F69 VanDerWaalsContact CD1-CD1 3.45Å; I52-F69 HydrophobicContact CD1-CE1 3.99Å; I52-F69 HydrophobicContact CD1-CG 3.86Å; I52-F69 HydrophobicContact CG2-CD1 4.38Å; I52-F69 HydrophobicContact CG2-CD2 3.94Å; I52-F69 HydrophobicContact CG2-CE1 4.48Å; I52-F69 HydrophobicContact CG2-CE2 4.07Å; I52-F69 HydrophobicContact CG2-CG 4.12Å; I52-F69 HydrophobicContact CG2-CZ 4.33Å; V54-F69 HydrophobicContact CG2-CD2 4.11Å; V54-F69 HydrophobicContact CG2-CE2 4.22Å; M65-F69 HydrophobicContact CB-CD2 4.14Å; M65-F69 HydrophobicContact CB-CE2 4.13Å; M65-F69 WeakPolarHBondContact O-CB 3.45Å; M65-F69 WeakPolarHBondContact O-CD2 3.08Å; M65-F69 PolarHBondContact O-N 3.4Å; F69-K71 PolarHBondContact O-N 3.38Å; F69-K71 VanDerWaalsContact O-N 3.09Å; F69-F72 PolarHBondContact O-N 3.37Å; F69-C73 PolarHBondContact O-N 3.47Å; F69-I76 HydrophobicContact CB-CD1 3.72Å; F69-I76 HydrophobicContact CB-CG1 4.39Å; F69-V132 HydrophobicContact CE2-CG2 3.9Å; F69-V132 HydrophobicContact CZ-CG2 4.09Å; F69-V280 HydrophobicContact CD1-CB 4.36Å; F69-V280 HydrophobicContact CD1-CG1 3.82Å; F69-V280 HydrophobicContact CD1-CG2 3.8Å; F69-V280 HydrophobicContact CD2-CG2 3.88Å; F69-V280 HydrophobicContact CE1-CB 4.22Å; F69-V280 HydrophobicContact CE1-CG1 3.97Å; F69-V280 HydrophobicContact CE1-CG2 3.78Å; F69-V280 HydrophobicContact CE2-CG2 3.83Å; F69-V280 HydrophobicContact CG-CG1 4.5Å; F69-V280 HydrophobicContact CG-CG2 3.85Å; F69-V280 HydrophobicContact CZ-CG2 3.79Å; F69-V283 HydrophobicContact CE1-CB 4.34Å; F69-V283 HydrophobicContact CE1-CG1 4.3Å; F69-V283 HydrophobicContact CE1-CG2 4.41Å; F69-V283 HydrophobicContact CZ-CG2 4.13Å
70A98.6Very high98.4Very high8 Ų824.3 Ų24.37%0.06613%0.127CC..Hα-helixtrans-62.7-19.2-17800000113.5C66 E68 F72 I76 V93 T97 T99C66-A70 VanDerWaalsContact O-CB 3.27Å; C66-A70 WeakPolarHBondContact O-CB 3.48Å; C66-A70 PolarHBondContact O-N 2.93Å; E68-A70 VanDerWaalsContact C-N 3.32Å; A70-F72 PolarHBondContact O-N 3Å; A70-I76 HydrophobicContact CB-CD1 3.67Å; A70-V93 HydrophobicContact CB-CG1 3.45Å; A70-V93 VanDerWaalsContact CB-CG1 3.45Å; A70-T97 HydrophobicContact CB-CG2 3.97Å; A70-T97 VanDerWaalsContact CB-OG1 3.3Å; A70-T97 WeakPolarHBondContact CB-OG1 3.17Å; A70-T99 HydrophobicContact CB-CG2 4.24Å; A70-T99 PolarHBondContact O-OG1 2.98Å
71K98.2Very high98.4Very high111 Ų11129.1 Ų29.148%0.48314%0.142SC..THydrogen-bonded Turntrans-69.5-18.4172.1-57.5176.1-172170.80113.6E68 F69 T97E68-K71 PolarHBondContact O-N 3.31Å; E68-K71 IonicContact OE1-NZ 3.75Å; E68-K71 PolarHBondContact OE1-NZ 2.93Å; E68-K71 IonicContact OE2-NZ 3.37Å; E68-K71 PolarHBondContact OE2-NZ 3.21Å; F69-K71 PolarHBondContact O-N 3.38Å; F69-K71 VanDerWaalsContact O-N 3.09Å; K71-T97 HydrophobicContact CG-CG2 4.33Å
72F98.2Very high98.5Very high56 Ų5631.7 Ų31.725%0.24616%0.156CC..THydrogen-bonded Turntrans-128.1-15.8-171.6-52-71.1000113.8L47 S48 E68 F69 A70 V280L47-F72 CarbonylContact C-O 3.52Å; L47-F72 HydrophobicContact CB-CB 4.24Å; L47-F72 HydrophobicContact CD1-CB 4.33Å; S48-F72 WeakPolarHBondContact CA-O 3.19Å; S48-F72 PolarHBondContact N-O 2.95Å; E68-F72 WeakPolarHBondContact O-CD2 3.33Å; E68-F72 WeakPolarHBondContact O-CE2 3.31Å; F69-F72 PolarHBondContact O-N 3.37Å; A70-F72 PolarHBondContact O-N 3Å; F72-V280 HydrophobicContact CD2-CG1 3.9Å; F72-V280 HydrophobicContact CE2-CG1 3.93Å
73C98.2Very high98.4Very high2 Ų237.4 Ų37.41%0.01418%0.183CC..  trans-143.1125.9-174178.50000110.5L47 D50 I52 F69 N75 I76L47-C73 HydrophobicContact CB-CB 4.16Å; L47-C73 WeakPolarHBondContact O-CB 3.42Å; L47-C73 PolarHBondContact O-SG 3.38Å; D50-C73 PolarHBondContact O-SG 3.24Å; I52-C73 HydrophobicContact CD1-CB 3.59Å; I52-C73 HydrophobicContact CG1-CB 4.28Å; F69-C73 PolarHBondContact O-N 3.47Å; C73-N75 PolarHBondContact SG-N 3.26Å; C73-N75 PolarHBondContact SG-O 3.43Å; C73-I76 WeakPolarHBondContact O-CD1 3.46Å
74P97.3Very high98.4Very high70 Ų7041.8 Ų41.846%0.45520%0.203SC..SBendtrans-77.7-26.4176.830.6-33.2000113.1S48 I76S48-P74 VanDerWaalsContact O-CD 3.28Å; S48-P74 WeakPolarHBondContact O-CD 3.49Å; P74-I76 PolarHBondContact O-N 2.84Å
75N98.4Very high98.4Very high60 Ų6040.2 Ų40.232%0.32120%0.195SC..EExtended strand (participates in β ladder)trans-97.391.8-174.4-45.1-64.6000111D50 V51 I52 C73D50-N75 WeakPolarHBondContact O-CB 3.38Å; D50-N75 PolarHBondContact O-ND2 2.83Å; D50-N75 VanDerWaalsContact O-ND2 3.13Å; V51-N75 HydrophobicContact CG2-CB 4.18Å; I52-N75 PolarHBondContact N-O 2.82Å; C73-N75 PolarHBondContact SG-N 3.26Å; C73-N75 PolarHBondContact SG-O 3.43Å
76I98.8Very high98.4Very high3 Ų340.2 Ų40.22%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-120.3132.3179.5-62.2168.7000109.8I52 C66 F69 A70 C73 P74 I101 K102I52-I76 HydrophobicContact CB-CG1 4.42Å; I52-I76 CarbonylContact O-C 3.45Å; I52-I76 WeakPolarHBondContact O-CA 3.44Å; C66-I76 HydrophobicContact CB-CG2 4.35Å; F69-I76 HydrophobicContact CB-CD1 3.72Å; F69-I76 HydrophobicContact CB-CG1 4.39Å; A70-I76 HydrophobicContact CB-CD1 3.67Å; C73-I76 WeakPolarHBondContact O-CD1 3.46Å; P74-I76 PolarHBondContact O-N 2.84Å; I76-I101 HydrophobicContact CB-CB 4.21Å; I76-I101 HydrophobicContact CB-CG2 3.82Å; I76-I101 HydrophobicContact CD1-CG2 4.47Å; I76-I101 HydrophobicContact CG2-CB 4.3Å; I76-I101 HydrophobicContact CG2-CG2 4.03Å; I76-I101 WeakPolarHBondContact O-CA 3.38Å; I76-K102 PolarHBondContact O-N 2.82Å
77I98.9Very high98.4Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-114.1114.1178-53.6175.7000107.6V51 I52 L53 V54 V79 K102 Y104 V121 F125V51-I77 HydrophobicContact CG1-CD1 3.68Å; V51-I77 HydrophobicContact CG1-CG1 4.3Å; I52-I77 PolarHBondContact O-N 2.92Å; L53-I77 CarbonylContact C-O 3.59Å; L53-I77 WeakPolarHBondContact CA-O 3.47Å; L53-I77 HydrophobicContact CB-CB 4.27Å; L53-I77 HydrophobicContact CD1-CG2 4.13Å; L53-I77 HydrophobicContact CG-CB 4.21Å; L53-I77 HydrophobicContact CG-CG2 4.15Å; V54-I77 PolarHBondContact N-O 3.44Å; I77-V79 HydrophobicContact CG2-CG2 4.16Å; I77-K102 CarbonylContact C-O 3.39Å; I77-K102 WeakPolarHBondContact CA-O 3.49Å; I77-Y104 HydrophobicContact CG2-CD2 3.49Å; I77-Y104 VanDerWaalsContact CG2-CD2 3.49Å; I77-Y104 HydrophobicContact CG2-CE2 3.66Å; I77-V121 HydrophobicContact CD1-CG1 3.57Å; I77-V121 HydrophobicContact CD1-CG2 4.27Å; I77-V121 HydrophobicContact CG2-CG2 4.23Å; I77-F125 HydrophobicContact CD1-CD1 4.33Å; I77-F125 HydrophobicContact CD1-CD2 3.52Å; I77-F125 HydrophobicContact CD1-CE1 4.39Å; I77-F125 HydrophobicContact CD1-CE2 3.61Å; I77-F125 HydrophobicContact CD1-CG 3.92Å; I77-F125 HydrophobicContact CD1-CZ 4.06Å; I77-F125 HydrophobicContact CG1-CD2 4.31Å; I77-F125 HydrophobicContact CG1-CE1 4.35Å; I77-F125 HydrophobicContact CG1-CE2 3.91Å; I77-F125 HydrophobicContact CG1-CZ 3.93Å
78A98.9Very high98.4Very high0 Ų046.4 Ų46.40%023%0.226CC..EExtended strand (participates in β ladder)trans-98.1126176.800000110.2A57 L86 I101 K102 V103 Y104A57-A78 HydrophobicContact CB-CB 3.62Å; A78-L86 HydrophobicContact CB-CD2 3.74Å; A78-I101 HydrophobicContact CB-CD1 3.87Å; A78-K102 PolarHBondContact N-O 3.5Å; A78-V103 HydrophobicContact CB-CG1 4.4Å; A78-V103 WeakPolarHBondContact O-CA 3.3Å; A78-Y104 PolarHBondContact O-N 3.04Å
79V98.9Very high98.4Very high0 Ų045.4 Ų45.40%022%0.221CC..EExtended strand (participates in β ladder)trans-123.1130.1-178.5-175.90000110.2L53 V54 T55 G56 A57 I77 Y104 C106 L117L53-V79 HydrophobicContact CD1-CG2 4.14Å; L53-V79 HydrophobicContact CD2-CG2 3.87Å; L53-V79 HydrophobicContact CG-CG2 3.92Å; V54-V79 PolarHBondContact O-N 2.7Å; T55-V79 CarbonylContact C-O 3.56Å; T55-V79 WeakPolarHBondContact CA-O 3.48Å; T55-V79 HydrophobicContact CG2-CB 4.37Å; G56-V79 PolarHBondContact N-O 2.84Å; A57-V79 PolarHBondContact N-O 2.83Å; I77-V79 HydrophobicContact CG2-CG2 4.16Å; V79-Y104 WeakPolarHBondContact CA-O 3.18Å; V79-C106 HydrophobicContact CG1-CB 3.7Å; V79-L117 HydrophobicContact CG1-CD1 4.4Å; V79-L117 HydrophobicContact CG1-CD2 3.77Å; V79-L117 HydrophobicContact CG2-CD1 4.02Å; V79-L117 HydrophobicContact CG2-CD2 4.16Å
80D98.7Very high98.4Very high21 Ų2146.7 Ų46.711%0.11223%0.23CC..EExtended strand (participates in β ladder)trans-160.1163.4174.7-153.2-70.6000109.8G56 A57 G58 N82 L86 Y104 V105 C106G56-D80 VanDerWaalsContact CA-OD2 3.22Å; G56-D80 WeakPolarHBondContact CA-OD2 3.5Å; A57-D80 PolarHBondContact N-OD2 3.42Å; G58-D80 WeakPolarHBondContact CA-OD2 3.23Å; G58-D80 PolarHBondContact N-OD2 2.63Å; D80-N82 WeakPolarHBondContact OD1-CB 3.4Å; D80-N82 PolarHBondContact OD1-N 3.25Å; D80-L86 HydrophobicContact CB-CD1 3.9Å; D80-L86 HydrophobicContact CB-CD2 3.74Å; D80-L86 HydrophobicContact CB-CG 3.64Å; D80-Y104 PolarHBondContact N-O 2.77Å; D80-V105 CarbonylContact O-C 3.58Å; D80-V105 VanDerWaalsContact O-CA 3.29Å; D80-V105 WeakPolarHBondContact O-CA 3.42Å; D80-C106 CarbonylContact C-O 3.57Å; D80-C106 PolarHBondContact O-N 2.58Å
81K98Very high98.4Very high120 Ų12053.8 Ų53.852%0.52226%0.259SS..SBendtrans-79.6-23.1168.566.7178.2-177.7177.20112.3E83 C106 D107K81-E83 PolarHBondContact O-N 2.63Å; K81-C106 PolarHBondContact N-O 3.29Å; K81-D107 HydrophobicContact CB-CB 4.3Å
82N97.6Very high98.4Very high75 Ų7551.1 Ų51.140%0.40125%0.25SC..  trans-89.495.7-178.9-1791.5000111.3D80 K84 G85 L86D80-N82 WeakPolarHBondContact OD1-CB 3.4Å; D80-N82 PolarHBondContact OD1-N 3.25Å; N82-K84 PolarHBondContact O-N 2.95Å; N82-K84 PolarHBondContact OD1-N 3.44Å; N82-G85 PolarHBondContact O-N 3.32Å; N82-G85 PolarHBondContact OD1-N 3.47Å; N82-L86 PolarHBondContact O-N 3.48Å
83E98.3Very high98.5Very high120 Ų12048.4 Ų48.456%0.56124%0.238SC*.Hα-helixtrans-56-46.7177.6-175.1177.6-16600112.9K81 G85 L86 L87 V105K81-E83 PolarHBondContact O-N 2.63Å; E83-G85 VanDerWaalsContact C-N 3.29Å; E83-G85 PolarHBondContact O-N 3.22Å; E83-L86 WeakPolarHBondContact O-CB 3.23Å; E83-L86 PolarHBondContact O-N 3.26Å; E83-L86 VanDerWaalsContact O-N 3.11Å; E83-L87 HydrophobicContact CG-CD1 4.3Å; E83-L87 HydrophobicContact CG-CG 4.49Å; E83-L87 WeakPolarHBondContact O-CG 3.3Å; E83-L87 PolarHBondContact O-N 3.24Å; E83-V105 HydrophobicContact CB-CG2 3.73Å; E83-V105 HydrophobicContact CG-CG2 3.81Å
84K98.4Very high98.5Very high145 Ų14551.5 Ų51.563%0.6325%0.252SS*.Hα-helixtrans-58.9-44.5178.5-178.6-177.8174.6-1760111N82 L86 L87 E88N82-K84 PolarHBondContact O-N 2.95Å; N82-K84 PolarHBondContact OD1-N 3.44Å; K84-L86 VanDerWaalsContact C-N 3.34Å; K84-L86 PolarHBondContact O-N 3.45Å; K84-L87 PolarHBondContact O-N 3.33Å; K84-E88 VanDerWaalsContact CE-OE1 3.29Å; K84-E88 WeakPolarHBondContact CE-OE1 3.37Å; K84-E88 WeakPolarHBondContact O-CG 3.31Å; K84-E88 PolarHBondContact O-N 2.9Å
85G98.4Very high98.5Very high2 Ų255.9 Ų55.92%0.02126%0.264CS..Hα-helixtrans-60.2-41.5175.900000112.6G58 R63 N82 E83 E88 T89G58-G85 CarbonylContact O-C 3.28Å; G58-G85 VanDerWaalsContact O-C 3.28Å; G58-G85 VanDerWaalsContact O-CA 3.24Å; G58-G85 WeakPolarHBondContact O-CA 3.18Å; G58-G85 VanDerWaalsContact O-O 3.1Å; R63-G85 PolarHBondContact NH2-O 2.94Å; N82-G85 PolarHBondContact O-N 3.32Å; N82-G85 PolarHBondContact OD1-N 3.47Å; E83-G85 VanDerWaalsContact C-N 3.29Å; E83-G85 PolarHBondContact O-N 3.22Å; G85-E88 PolarHBondContact O-N 3Å; G85-T89 PolarHBondContact O-N 3.2Å; G85-T89 PolarHBondContact O-OG1 2.94Å; G85-T89 VanDerWaalsContact O-OG1 3.1Å
86L98.6Very high98.5Very high1 Ų158.1 Ų58.11%0.00527%0.273CS..Hα-helixtrans-63.9-43.5175.6-75.8170.5000112.6A57 A78 D80 N82 E83 K84 E88 T89 S90 V103 Y104 V105A57-L86 HydrophobicContact CB-CD2 4.19Å; A78-L86 HydrophobicContact CB-CD2 3.74Å; D80-L86 HydrophobicContact CB-CD1 3.9Å; D80-L86 HydrophobicContact CB-CD2 3.74Å; D80-L86 HydrophobicContact CB-CG 3.64Å; N82-L86 PolarHBondContact O-N 3.48Å; E83-L86 WeakPolarHBondContact O-CB 3.23Å; E83-L86 PolarHBondContact O-N 3.26Å; E83-L86 VanDerWaalsContact O-N 3.11Å; K84-L86 VanDerWaalsContact C-N 3.34Å; K84-L86 PolarHBondContact O-N 3.45Å; L86-E88 VanDerWaalsContact C-N 3.34Å; L86-T89 WeakPolarHBondContact O-CB 3.26Å; L86-T89 PolarHBondContact O-N 3.05Å; L86-S90 WeakPolarHBondContact O-CB 3.48Å; L86-S90 PolarHBondContact O-N 3.21Å; L86-V103 HydrophobicContact CB-CB 4.26Å; L86-V103 HydrophobicContact CB-CG1 4.13Å; L86-Y104 WeakPolarHBondContact CD1-O 3.43Å; L86-V105 HydrophobicContact CD1-CG2 4.15Å
87L98.5Very high98.4Very high78 Ų7859.7 Ų59.741%0.40828%0.282SS..Hα-helixtrans-65.2-38.6178.1-66.6177.1000111.6E83 K84 S90 K91E83-L87 HydrophobicContact CG-CD1 4.3Å; E83-L87 HydrophobicContact CG-CG 4.49Å; E83-L87 WeakPolarHBondContact O-CG 3.3Å; E83-L87 PolarHBondContact O-N 3.24Å; K84-L87 PolarHBondContact O-N 3.33Å; L87-S90 PolarHBondContact O-N 3.13Å; L87-K91 WeakPolarHBondContact O-CG 3.49Å; L87-K91 PolarHBondContact O-N 3.41Å
88E98.6Very high98.3Very high82 Ų8266 Ų6638%0.38332%0.317SS..Hα-helixtrans-62.4-45.2171.6-74.5173.1-168.300111.8R63 K84 G85 L86 K91 L92R63-E88 IonicContact CZ-OE2 2.84Å; R63-E88 IonicContact NH1-OE2 2.63Å; R63-E88 PolarHBondContact NH1-OE2 3.08Å; R63-E88 VanDerWaalsContact NH2-CB 3.34Å; R63-E88 IonicContact NH2-OE2 2.83Å; R63-E88 PolarHBondContact NH2-OE2 2.98Å; K84-E88 VanDerWaalsContact CE-OE1 3.29Å; K84-E88 WeakPolarHBondContact CE-OE1 3.37Å; K84-E88 WeakPolarHBondContact O-CG 3.31Å; K84-E88 PolarHBondContact O-N 2.9Å; G85-E88 PolarHBondContact O-N 3Å; L86-E88 VanDerWaalsContact C-N 3.34Å; E88-K91 PolarHBondContact O-N 3.18Å; E88-L92 WeakPolarHBondContact O-CB 3.47Å; E88-L92 PolarHBondContact O-N 3.15Å
89T98.8Very high98.3Very high0 Ų066.9 Ų66.90%032%0.322CS..Hα-helixtrans-59.2-47.7174.8-64.90000110.9A57 R63 C66 G85 L86 K91 L92 V93 I101A57-T89 WeakPolarHBondContact O-CB 3.09Å; A57-T89 WeakPolarHBondContact O-CG2 3.35Å; A57-T89 PolarHBondContact O-OG1 2.97Å; R63-T89 HydrophobicContact CB-CG2 4.21Å; R63-T89 WeakPolarHBondContact CB-OG1 3.38Å; R63-T89 HydrophobicContact CG-CG2 3.97Å; R63-T89 VanDerWaalsContact CG-OG1 3.3Å; R63-T89 WeakPolarHBondContact CG-OG1 3.3Å; R63-T89 PolarHBondContact NE-OG1 3.43Å; C66-T89 HydrophobicContact CB-CG2 4.03Å; G85-T89 PolarHBondContact O-N 3.2Å; G85-T89 PolarHBondContact O-OG1 2.94Å; G85-T89 VanDerWaalsContact O-OG1 3.1Å; L86-T89 WeakPolarHBondContact O-CB 3.26Å; L86-T89 PolarHBondContact O-N 3.05Å; T89-K91 PolarHBondContact O-N 2.94Å; T89-L92 PolarHBondContact O-N 2.96Å; T89-V93 HydrophobicContact CG2-CG2 4.33Å; T89-V93 WeakPolarHBondContact O-CG2 3.43Å; T89-V93 PolarHBondContact O-N 2.94Å; T89-I101 HydrophobicContact CG2-CD1 3.92Å
90S98.7Very high98.2Very high26 Ų2674.6 Ų74.618%0.18236%0.358CS..Hα-helixtrans-59.6-46.5179.6179.30000112.3L86 L87 L92 V93 Q94L86-S90 WeakPolarHBondContact O-CB 3.48Å; L86-S90 PolarHBondContact O-N 3.21Å; L87-S90 PolarHBondContact O-N 3.13Å; S90-L92 PolarHBondContact O-N 3.33Å; S90-V93 PolarHBondContact O-N 2.91Å; S90-Q94 WeakPolarHBondContact O-CB 3.36Å; S90-Q94 PolarHBondContact O-N 2.91Å
91K98.6Very high98.2Very high157 Ų15774 Ų7468%0.68335%0.354SS*.Hα-helixtrans-62.1-42.1175.7-72.7175-177.3179.90112.4L87 E88 T89 K95L87-K91 WeakPolarHBondContact O-CG 3.49Å; L87-K91 PolarHBondContact O-N 3.41Å; E88-K91 PolarHBondContact O-N 3.18Å; T89-K91 PolarHBondContact O-N 2.94Å; K91-K95 VanDerWaalsContact O-CB 3.28Å; K91-K95 WeakPolarHBondContact O-CB 3.48Å; K91-K95 PolarHBondContact O-N 3.34Å
92L98.6Very high98.2Very high55 Ų5572 Ų7229%0.28835%0.346SS..Hα-helixtrans-63-48.8178.6-179.764.9000111R63 E88 T89 S90 K95 E96R63-L92 HydrophobicContact CG-CD2 4.18Å; E88-L92 WeakPolarHBondContact O-CB 3.47Å; E88-L92 PolarHBondContact O-N 3.15Å; T89-L92 PolarHBondContact O-N 2.96Å; S90-L92 PolarHBondContact O-N 3.33Å; L92-K95 PolarHBondContact O-N 2.69Å; L92-E96 HydrophobicContact CD1-CG 3.88Å; L92-E96 HydrophobicContact CG-CG 4.46Å; L92-E96 WeakPolarHBondContact O-CB 3.27Å; L92-E96 VanDerWaalsContact O-CG 3.31Å; L92-E96 WeakPolarHBondContact O-CG 3.46Å; L92-E96 PolarHBondContact O-N 2.8Å
93V98.6Very high98.3Very high0 Ų070.5 Ų70.50%034%0.339CS..Hα-helixtrans-62.2-46.8178.8177.90000110.8C66 L67 A70 T89 S90 K95 E96 T97 I101C66-V93 HydrophobicContact CB-CG2 4.04Å; L67-V93 HydrophobicContact CB-CG2 4.31Å; A70-V93 HydrophobicContact CB-CG1 3.45Å; A70-V93 VanDerWaalsContact CB-CG1 3.45Å; T89-V93 HydrophobicContact CG2-CG2 4.33Å; T89-V93 WeakPolarHBondContact O-CG2 3.43Å; T89-V93 PolarHBondContact O-N 2.94Å; S90-V93 PolarHBondContact O-N 2.91Å; V93-K95 VanDerWaalsContact C-N 3.28Å; V93-K95 PolarHBondContact O-N 3.36Å; V93-E96 PolarHBondContact O-N 3.08Å; V93-T97 PolarHBondContact O-N 3.28Å; V93-T97 PolarHBondContact O-OG1 3.13Å; V93-I101 HydrophobicContact CB-CD1 4.46Å; V93-I101 HydrophobicContact CB-CG2 4.14Å; V93-I101 HydrophobicContact CG1-CG2 3.62Å; V93-I101 HydrophobicContact CG2-CD1 4.23Å
94Q98.3Very high98.3Very high67 Ų6766.3 Ų66.331%0.31332%0.319SS..Hα-helixtrans-57.7-41.6177.2-177.862.353.600112.1S90 N98 T99 Q100S90-Q94 WeakPolarHBondContact O-CB 3.36Å; S90-Q94 PolarHBondContact O-N 2.91Å; Q94-N98 PolarHBondContact NE2-OD1 2.8Å; Q94-N98 VanDerWaalsContact NE2-OD1 3.09Å; Q94-N98 WeakPolarHBondContact O-CA 3.38Å; Q94-N98 PolarHBondContact O-N 2.9Å; Q94-T99 WeakPolarHBondContact CA-O 3.39Å; Q94-T99 PolarHBondContact N-O 2.68Å; Q94-T99 VanDerWaalsContact OE1-C 3.25Å; Q94-T99 PolarHBondContact OE1-O 3.21Å; Q94-Q100 VanDerWaalsContact OE1-N 3.14Å
95K98.1Very high98.3Very high161 Ų16163.5 Ų63.570%0.731%0.313SS*.Hα-helixtrans-66.9-44-180-177.8-169.9169.8-147.10112.3K91 L92 V93K91-K95 VanDerWaalsContact O-CB 3.28Å; K91-K95 WeakPolarHBondContact O-CB 3.48Å; K91-K95 PolarHBondContact O-N 3.34Å; L92-K95 PolarHBondContact O-N 2.69Å; V93-K95 VanDerWaalsContact C-N 3.28Å; V93-K95 PolarHBondContact O-N 3.36Å
96E97.8Very high98.3Very high107 Ų10763.7 Ų63.750%0.531%0.314SS..Hα-helixtrans-90.6-24.9-169.3-60.6-62144.200113.3L67 L92 V93L67-E96 HydrophobicContact CD1-CB 3.61Å; L67-E96 HydrophobicContact CD1-CG 4.2Å; L92-E96 HydrophobicContact CD1-CG 3.88Å; L92-E96 HydrophobicContact CG-CG 4.46Å; L92-E96 WeakPolarHBondContact O-CB 3.27Å; L92-E96 VanDerWaalsContact O-CG 3.31Å; L92-E96 WeakPolarHBondContact O-CG 3.46Å; L92-E96 PolarHBondContact O-N 2.8Å; V93-E96 PolarHBondContact O-N 3.08Å
97T97.5Very high98.3Very high36 Ų3665.1 Ų65.122%0.22132%0.322CS..Hα-helixtrans-126.1-2.2-177.273.90000114.3L67 A70 K71 V93 T99L67-T97 HydrophobicContact CD1-CG2 3.86Å; A70-T97 HydrophobicContact CB-CG2 3.97Å; A70-T97 VanDerWaalsContact CB-OG1 3.3Å; A70-T97 WeakPolarHBondContact CB-OG1 3.17Å; K71-T97 HydrophobicContact CG-CG2 4.33Å; V93-T97 PolarHBondContact O-N 3.28Å; V93-T97 PolarHBondContact O-OG1 3.13Å; T97-T99 PolarHBondContact O-N 2.85Å; T97-T99 PolarHBondContact O-OG1 2.82Å; T97-T99 VanDerWaalsContact OG1-CB 3.28Å; T97-T99 WeakPolarHBondContact OG1-CB 3.22Å; T97-T99 PolarHBondContact OG1-N 2.88Å; T97-T99 PolarHBondContact OG1-OG1 2.86Å
98N97.4Very high98.3Very high134 Ų13461.9 Ų61.972%0.71731%0.305SS*.  trans58.123.8-173.1-162.338.5000113.7Q94Q94-N98 PolarHBondContact NE2-OD1 2.8Å; Q94-N98 VanDerWaalsContact NE2-OD1 3.09Å; Q94-N98 WeakPolarHBondContact O-CA 3.38Å; Q94-N98 PolarHBondContact O-N 2.9Å
99T98Very high98.3Very high18 Ų1861.6 Ų61.611%0.1130%0.3CS..  trans-104.6125.6-179.4-470000110.6A70 Q94 T97 I101A70-T99 HydrophobicContact CB-CG2 4.24Å; A70-T99 PolarHBondContact O-OG1 2.98Å; Q94-T99 WeakPolarHBondContact CA-O 3.39Å; Q94-T99 PolarHBondContact N-O 2.68Å; Q94-T99 VanDerWaalsContact OE1-C 3.25Å; Q94-T99 PolarHBondContact OE1-O 3.21Å; T97-T99 PolarHBondContact O-N 2.85Å; T97-T99 PolarHBondContact O-OG1 2.82Å; T97-T99 VanDerWaalsContact OG1-CB 3.28Å; T97-T99 WeakPolarHBondContact OG1-CB 3.22Å; T97-T99 PolarHBondContact OG1-N 2.88Å; T97-T99 PolarHBondContact OG1-OG1 2.86Å; T99-I101 PolarHBondContact O-N 2.77Å
100Q97.8Very high98.3Very high161 Ų16166.2 Ų66.275%0.75232%0.322SS*.  trans-86.5111.5173.6-169.717417.400109.8Q94Q94-Q100 VanDerWaalsContact OE1-N 3.14Å
101I98.4Very high98.2Very high8 Ų870.3 Ų70.34%0.04134%0.336CS..  trans-89.6148.6175.374.5-180000110.8C66 I76 A78 T89 V93 T99 V103C66-I101 HydrophobicContact CB-CD1 4.48Å; I76-I101 HydrophobicContact CB-CB 4.21Å; I76-I101 HydrophobicContact CB-CG2 3.82Å; I76-I101 HydrophobicContact CD1-CG2 4.47Å; I76-I101 HydrophobicContact CG2-CB 4.3Å; I76-I101 HydrophobicContact CG2-CG2 4.03Å; I76-I101 WeakPolarHBondContact O-CA 3.38Å; A78-I101 HydrophobicContact CB-CD1 3.87Å; T89-I101 HydrophobicContact CG2-CD1 3.92Å; V93-I101 HydrophobicContact CB-CD1 4.46Å; V93-I101 HydrophobicContact CB-CG2 4.14Å; V93-I101 HydrophobicContact CG1-CG2 3.62Å; V93-I101 HydrophobicContact CG2-CD1 4.23Å; T99-I101 PolarHBondContact O-N 2.77Å; I101-V103 HydrophobicContact CG1-CG1 4.44Å
102K98.5Very high98.2Very high79 Ų7969.9 Ų69.934%0.34333%0.334SS..EExtended strand (participates in β ladder)trans-85.5138.9171.3-169.771.2177.7-142.70109.9I76 I77 A78 Y104 E124 F125I76-K102 PolarHBondContact O-N 2.82Å; I77-K102 CarbonylContact C-O 3.39Å; I77-K102 WeakPolarHBondContact CA-O 3.49Å; A78-K102 PolarHBondContact N-O 3.5Å; K102-Y104 HydrophobicContact CB-CE2 4.44Å; K102-Y104 HydrophobicContact CG-CD2 4.17Å; K102-Y104 HydrophobicContact CG-CE2 3.47Å; K102-Y104 VanDerWaalsContact CG-CE2 3.47Å; K102-E124 WeakPolarHBondContact CD-OE1 3.49Å; K102-E124 VanDerWaalsContact CE-OE1 3.26Å; K102-E124 WeakPolarHBondContact CE-OE1 3.38Å; K102-E124 VanDerWaalsContact CE-OE2 3.3Å; K102-E124 WeakPolarHBondContact CE-OE2 3.28Å; K102-E124 IonicContact NZ-OE1 3.26Å; K102-E124 PolarHBondContact NZ-OE1 3.49Å; K102-E124 IonicContact NZ-OE2 2.74Å; K102-E124 PolarHBondContact NZ-OE2 3.33Å; K102-F125 HydrophobicContact CB-CE2 4.37Å; K102-F125 HydrophobicContact CB-CZ 3.89Å; K102-F125 HydrophobicContact CG-CE2 4.16Å; K102-F125 HydrophobicContact CG-CZ 4.09Å
103V98.6Very high98.2Very high44 Ų4468.4 Ų68.427%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-114.9138.1178.9-62.70000110.6A78 L86 I101A78-V103 HydrophobicContact CB-CG1 4.4Å; A78-V103 WeakPolarHBondContact O-CA 3.3Å; L86-V103 HydrophobicContact CB-CB 4.26Å; L86-V103 HydrophobicContact CB-CG1 4.13Å; I101-V103 HydrophobicContact CG1-CG1 4.44Å
104Y98.7Very high98.2Very high32 Ų3268.4 Ų68.413%0.12533%0.33CS..EExtended strand (participates in β ladder)trans-130.2126.6168.9-67.9-95.8000110I77 A78 V79 D80 L86 K102 L117 V121 E124I77-Y104 HydrophobicContact CG2-CD2 3.49Å; I77-Y104 VanDerWaalsContact CG2-CD2 3.49Å; I77-Y104 HydrophobicContact CG2-CE2 3.66Å; A78-Y104 PolarHBondContact O-N 3.04Å; V79-Y104 WeakPolarHBondContact CA-O 3.18Å; D80-Y104 PolarHBondContact N-O 2.77Å; L86-Y104 WeakPolarHBondContact CD1-O 3.43Å; K102-Y104 HydrophobicContact CB-CE2 4.44Å; K102-Y104 HydrophobicContact CG-CD2 4.17Å; K102-Y104 HydrophobicContact CG-CE2 3.47Å; K102-Y104 VanDerWaalsContact CG-CE2 3.47Å; Y104-L117 VanDerWaalsContact CB-CD1 3.43Å; Y104-L117 HydrophobicContact CD1-CD1 3.99Å; Y104-L117 HydrophobicContact CD2-CD1 4.2Å; Y104-L117 HydrophobicContact CG-CD1 3.62Å; Y104-V121 HydrophobicContact CD2-CG2 4.07Å; Y104-V121 HydrophobicContact CE1-CG2 4.37Å; Y104-V121 HydrophobicContact CE2-CG2 3.69Å; Y104-E124 PolarHBondContact OH-OE2 2.73Å
105V98.6Very high98.2Very high85 Ų8568.4 Ų68.452%0.51533%0.332SS..EExtended strand (participates in β ladder)trans-80.8118.7171.5-175.90000108.1D80 E83 L86D80-V105 CarbonylContact O-C 3.58Å; D80-V105 VanDerWaalsContact O-CA 3.29Å; D80-V105 WeakPolarHBondContact O-CA 3.42Å; E83-V105 HydrophobicContact CB-CG2 3.73Å; E83-V105 HydrophobicContact CG-CG2 3.81Å; L86-V105 HydrophobicContact CD1-CG2 4.15Å
106C98.7Very high98.2Very high7 Ų765.9 Ų65.95%0.04732%0.323CS..  trans-149.3123.6-179.7-176.10000110.3V79 D80 K81 L108 A113 L117V79-C106 HydrophobicContact CG1-CB 3.7Å; D80-C106 CarbonylContact C-O 3.57Å; D80-C106 PolarHBondContact O-N 2.58Å; K81-C106 PolarHBondContact N-O 3.29Å; C106-L108 PolarHBondContact O-N 3.15Å; C106-A113 VanDerWaalsContact SG-C 3.57Å; C106-A113 PolarHBondContact SG-O 3.44Å; C106-A113 VanDerWaalsContact SG-O 3.32Å; C106-L117 HydrophobicContact CB-CB 4.48Å; C106-L117 HydrophobicContact CB-CD2 4.11Å
107D98.5Very high98.3Very high30 Ų3061.2 Ų61.216%0.1630%0.301CS..  trans-85.6104.7168.3-167.2-23.8000110.1K81 R109 H110K81-D107 HydrophobicContact CB-CB 4.3Å; D107-R109 PolarHBondContact O-N 3.22Å; D107-R109 VanDerWaalsContact OD1-CB 3.3Å; D107-R109 WeakPolarHBondContact OD1-CB 3.21Å; D107-R109 VanDerWaalsContact OD1-CG 3.31Å; D107-R109 WeakPolarHBondContact OD1-CG 3.34Å; D107-R109 PolarHBondContact OD1-N 3.39Å; D107-R109 IonicContact OD1-NE 2.69Å; D107-R109 PolarHBondContact OD1-NE 3.26Å; D107-R109 IonicContact OD2-CZ 3.84Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.77Å; D107-R109 PolarHBondContact OD2-NE 3.13Å; D107-R109 IonicContact OD2-NH2 3.15Å; D107-R109 PolarHBondContact OD2-NH2 2.77Å; D107-H110 PolarHBondContact O-N 3.06Å; D107-H110 VanDerWaalsContact O-N 3.07Å
108L98.6Very high98.3Very high11 Ų1159.9 Ų59.96%0.05829%0.294CS..THydrogen-bonded Turntrans-66-4.5-177.6-62.8-178.7000114.3T55 C106 H110 I114 A135 L165T55-L108 HydrophobicContact CG2-CD1 4.11Å; C106-L108 PolarHBondContact O-N 3.15Å; L108-H110 PolarHBondContact O-N 3.21Å; L108-I114 HydrophobicContact CD2-CD1 4.11Å; L108-I114 HydrophobicContact CD2-CG1 3.81Å; L108-A135 HydrophobicContact CD1-CB 3.46Å; L108-A135 VanDerWaalsContact CD1-CB 3.46Å; L108-L165 HydrophobicContact CD1-CD1 4.44Å; L108-L165 HydrophobicContact CD2-CD1 4.24Å; L108-L165 HydrophobicContact CD2-CD2 4.46Å
109R98.3Very high98.4Very high76 Ų7658 Ų5829%0.28729%0.287SS..THydrogen-bonded Turntrans-69.1-22.1170.1-65.4178.2-67.91677.6112.7D107 D153 R156 V157D107-R109 PolarHBondContact O-N 3.22Å; D107-R109 VanDerWaalsContact OD1-CB 3.3Å; D107-R109 WeakPolarHBondContact OD1-CB 3.21Å; D107-R109 VanDerWaalsContact OD1-CG 3.31Å; D107-R109 WeakPolarHBondContact OD1-CG 3.34Å; D107-R109 PolarHBondContact OD1-N 3.39Å; D107-R109 IonicContact OD1-NE 2.69Å; D107-R109 PolarHBondContact OD1-NE 3.26Å; D107-R109 IonicContact OD2-CZ 3.84Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.77Å; D107-R109 PolarHBondContact OD2-NE 3.13Å; D107-R109 IonicContact OD2-NH2 3.15Å; D107-R109 PolarHBondContact OD2-NH2 2.77Å; R109-D153 WeakPolarHBondContact CD-OD1 3.41Å; R109-D153 WeakPolarHBondContact CD-OD2 3.23Å; R109-D153 IonicContact CZ-OD2 2.63Å; R109-D153 IonicContact NH1-OD2 3.09Å; R109-D153 PolarHBondContact NH1-OD2 2.99Å; R109-R156 HydrophobicContact CB-CB 4.22Å; R109-R156 HydrophobicContact CG-CB 4.21Å; R109-V157 HydrophobicContact CG-CG2 3.58Å
110H98Very high98.4Very high96 Ų9659.7 Ų59.744%0.44430%0.3SS..  trans-111.4115.2-171.7-57-50.8000111.1D107 L108 K112 A113 I114D107-H110 PolarHBondContact O-N 3.06Å; D107-H110 VanDerWaalsContact O-N 3.07Å; L108-H110 PolarHBondContact O-N 3.21Å; H110-K112 VanDerWaalsContact C-N 3.28Å; H110-K112 PolarHBondContact O-N 3.3Å; H110-A113 HydrophobicContact CB-CB 4.1Å; H110-A113 WeakPolarHBondContact O-CB 3.43Å; H110-A113 PolarHBondContact O-N 3.28Å; H110-I114 PolarHBondContact O-N 2.97Å
111K97.4Very high98.4Very high113 Ų11352 Ų5249%0.49126%0.264SS..Hα-helixtrans-51.4-46.3176.8-177.8-173.9171.8-175.50112.4A113 I114 D115 Y164K111-A113 VanDerWaalsContact C-N 3.27Å; K111-A113 PolarHBondContact O-N 3Å; K111-I114 WeakPolarHBondContact O-CA 3.44Å; K111-I114 WeakPolarHBondContact O-CB 3.41Å; K111-I114 PolarHBondContact O-N 3.15Å; K111-D115 PolarHBondContact O-N 2.63Å; K111-Y164 HydrophobicContact CB-CD2 4.25Å; K111-Y164 HydrophobicContact CB-CE2 4.07Å; K111-Y164 HydrophobicContact CD-CE1 4.42Å; K111-Y164 HydrophobicContact CG-CD2 4.25Å; K111-Y164 HydrophobicContact CG-CE2 4.28Å; K111-Y164 HydrophobicContact CG-CG 4.4Å
112K98.2Very high98.4Very high148 Ų14854.2 Ų54.264%0.64328%0.275SS*.Hα-helixtrans-58-38.1179.4-172.4-179.8177.3-170.60112.7H110 I114 D115 E116H110-K112 VanDerWaalsContact C-N 3.28Å; H110-K112 PolarHBondContact O-N 3.3Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-I114 PolarHBondContact O-N 2.98Å; K112-D115 PolarHBondContact O-N 2.96Å; K112-E116 WeakPolarHBondContact CE-OE1 3.35Å; K112-E116 WeakPolarHBondContact O-CG 3.21Å; K112-E116 PolarHBondContact O-N 3.43Å
113A98.4Very high98.4Very high23 Ų2359.5 Ų59.519%0.1930%0.298CS..Hα-helixtrans-68-32.4176.600000112C106 H110 K111 L117C106-A113 VanDerWaalsContact SG-C 3.57Å; C106-A113 PolarHBondContact SG-O 3.44Å; C106-A113 VanDerWaalsContact SG-O 3.32Å; H110-A113 HydrophobicContact CB-CB 4.1Å; H110-A113 WeakPolarHBondContact O-CB 3.43Å; H110-A113 PolarHBondContact O-N 3.28Å; K111-A113 VanDerWaalsContact C-N 3.27Å; K111-A113 PolarHBondContact O-N 3Å; A113-L117 WeakPolarHBondContact O-CB 3.39Å; A113-L117 PolarHBondContact O-N 3.08Å
114I98.6Very high98.4Very high0 Ų062.1 Ų62.10%031%0.308CS..Hα-helixtrans-71.2-39173.6-63.1170.8000110.8L108 H110 K111 K112 L117 S118 Y164 L165L108-I114 HydrophobicContact CD2-CD1 4.11Å; L108-I114 HydrophobicContact CD2-CG1 3.81Å; H110-I114 PolarHBondContact O-N 2.97Å; K111-I114 WeakPolarHBondContact O-CA 3.44Å; K111-I114 WeakPolarHBondContact O-CB 3.41Å; K111-I114 PolarHBondContact O-N 3.15Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-I114 PolarHBondContact O-N 2.98Å; I114-L117 PolarHBondContact O-N 3.08Å; I114-S118 WeakPolarHBondContact O-CB 3.24Å; I114-S118 PolarHBondContact O-N 3.3Å; I114-S118 PolarHBondContact O-OG 2.71Å; I114-Y164 HydrophobicContact CD1-CD2 4Å; I114-L165 HydrophobicContact CG2-CD2 3.9Å; I114-L165 HydrophobicContact CG2-CG 4.19Å
115D98.4Very high98.3Very high67 Ų6763.1 Ų63.136%0.35831%0.313SS..Hα-helixtrans-63.9-43175.9-63.2-25.3000111.1K111 K112 S118 T119K111-D115 PolarHBondContact O-N 2.63Å; K112-D115 PolarHBondContact O-N 2.96Å; D115-S118 PolarHBondContact O-OG 2.88Å; D115-T119 WeakPolarHBondContact O-CB 3.28Å; D115-T119 PolarHBondContact O-N 3.38Å; D115-T119 PolarHBondContact O-OG1 3.36Å
116E98.6Very high98.1Very high109 Ų10961.6 Ų61.651%0.50932%0.315SS..Hα-helixtrans-66.6-42.6175.2-72.7170.4-173.400112.4K112 S120K112-E116 WeakPolarHBondContact CE-OE1 3.35Å; K112-E116 WeakPolarHBondContact O-CG 3.21Å; K112-E116 PolarHBondContact O-N 3.43Å; E116-S120 WeakPolarHBondContact O-CB 3.36Å; E116-S120 PolarHBondContact O-N 3.23Å; E116-S120 PolarHBondContact O-OG 3.42Å
117L98.7Very high98Very high8 Ų865.3 Ų65.34%0.04233%0.33CS..Hα-helixtrans-58-53.3174.3169.268.4000110.7V79 Y104 C106 A113 I114 T119 S120 V121 L165V79-L117 HydrophobicContact CG1-CD1 4.4Å; V79-L117 HydrophobicContact CG1-CD2 3.77Å; V79-L117 HydrophobicContact CG2-CD1 4.02Å; V79-L117 HydrophobicContact CG2-CD2 4.16Å; Y104-L117 VanDerWaalsContact CB-CD1 3.43Å; Y104-L117 HydrophobicContact CD1-CD1 3.99Å; Y104-L117 HydrophobicContact CD2-CD1 4.2Å; Y104-L117 HydrophobicContact CG-CD1 3.62Å; C106-L117 HydrophobicContact CB-CB 4.48Å; C106-L117 HydrophobicContact CB-CD2 4.11Å; A113-L117 WeakPolarHBondContact O-CB 3.39Å; A113-L117 PolarHBondContact O-N 3.08Å; I114-L117 PolarHBondContact O-N 3.08Å; L117-T119 PolarHBondContact O-N 3.25Å; L117-S120 PolarHBondContact O-N 2.99Å; L117-V121 HydrophobicContact CD1-CG2 3.89Å; L117-V121 HydrophobicContact CG-CG2 4.41Å; L117-V121 WeakPolarHBondContact O-CB 3.34Å; L117-V121 VanDerWaalsContact O-CG2 3.32Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.08Å; L117-L165 HydrophobicContact CD2-CD2 4.19Å
118S98.4Very high98Very high9 Ų963.9 Ų63.96%0.06332%0.322CS..Hα-helixtrans-64.9-41.5-176.256.30000112.1I114 D115 S120 V121 L122I114-S118 WeakPolarHBondContact O-CB 3.24Å; I114-S118 PolarHBondContact O-N 3.3Å; I114-S118 PolarHBondContact O-OG 2.71Å; D115-S118 PolarHBondContact O-OG 2.88Å; S118-S120 VanDerWaalsContact C-N 3.32Å; S118-S120 PolarHBondContact O-N 3.32Å; S118-V121 PolarHBondContact O-N 2.88Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.14Å; S118-L122 VanDerWaalsContact O-CG 3.26Å; S118-L122 WeakPolarHBondContact O-CG 3.43Å; S118-L122 PolarHBondContact O-N 3.21Å
119T98.4Very high97.9Very high93 Ų9363.5 Ų63.557%0.57132%0.32SS*.Hα-helixtrans-57.1-46.6173.2-59.20000111.4D115 L117 K123D115-T119 WeakPolarHBondContact O-CB 3.28Å; D115-T119 PolarHBondContact O-N 3.38Å; D115-T119 PolarHBondContact O-OG1 3.36Å; L117-T119 PolarHBondContact O-N 3.25Å; T119-K123 VanDerWaalsContact O-CB 3.24Å; T119-K123 WeakPolarHBondContact O-CB 2.96Å; T119-K123 PolarHBondContact O-N 3.36Å
120S98.6Very high98Very high55 Ų5559.9 Ų59.939%0.38531%0.307SS..Hα-helixtrans-67-44.4-179.5-590000112.2E116 L117 S118 K123 E124E116-S120 WeakPolarHBondContact O-CB 3.36Å; E116-S120 PolarHBondContact O-N 3.23Å; E116-S120 PolarHBondContact O-OG 3.42Å; L117-S120 PolarHBondContact O-N 2.99Å; S118-S120 VanDerWaalsContact C-N 3.32Å; S118-S120 PolarHBondContact O-N 3.32Å; S120-K123 PolarHBondContact O-N 3.28Å; S120-E124 WeakPolarHBondContact O-CB 3.48Å; S120-E124 PolarHBondContact O-N 3.11Å
121V98.6Very high98Very high0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-64.1-46.8178.5166.40000111.1L53 I77 Y104 L117 S118 K123 E124 F125 V128 F169L53-V121 HydrophobicContact CD1-CG1 4.33Å; L53-V121 HydrophobicContact CD1-CG2 4.23Å; I77-V121 HydrophobicContact CD1-CG1 3.57Å; I77-V121 HydrophobicContact CD1-CG2 4.27Å; I77-V121 HydrophobicContact CG2-CG2 4.23Å; Y104-V121 HydrophobicContact CD2-CG2 4.07Å; Y104-V121 HydrophobicContact CE1-CG2 4.37Å; Y104-V121 HydrophobicContact CE2-CG2 3.69Å; L117-V121 HydrophobicContact CD1-CG2 3.89Å; L117-V121 HydrophobicContact CG-CG2 4.41Å; L117-V121 WeakPolarHBondContact O-CB 3.34Å; L117-V121 VanDerWaalsContact O-CG2 3.32Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.08Å; S118-V121 PolarHBondContact O-N 2.88Å; V121-K123 VanDerWaalsContact C-N 3.32Å; V121-K123 PolarHBondContact O-N 3Å; V121-E124 PolarHBondContact O-N 3.24Å; V121-F125 HydrophobicContact CG1-CD2 4.39Å; V121-F125 WeakPolarHBondContact O-CB 3.41Å; V121-F125 WeakPolarHBondContact O-CD2 3.13Å; V121-F125 PolarHBondContact O-N 2.84Å; V121-V128 HydrophobicContact CG1-CG2 3.51Å; V121-F169 HydrophobicContact CB-CE1 4.03Å; V121-F169 HydrophobicContact CB-CZ 4.23Å; V121-F169 HydrophobicContact CG1-CE1 3.71Å; V121-F169 HydrophobicContact CG1-CZ 4.14Å
122L97.9Very high98.1Very high54 Ų5450 Ų5028%0.28326%0.262SS..Hα-helixtrans-67.4-34179.5-69.8173.1000111.9S118 G126 F169S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.14Å; S118-L122 VanDerWaalsContact O-CG 3.26Å; S118-L122 WeakPolarHBondContact O-CG 3.43Å; S118-L122 PolarHBondContact O-N 3.21Å; L122-G126 WeakPolarHBondContact O-CA 3.32Å; L122-G126 PolarHBondContact O-N 3.14Å; L122-F169 HydrophobicContact CD2-CD1 4.15Å; L122-F169 HydrophobicContact CD2-CE1 4.43Å; L122-F169 HydrophobicContact CG-CD1 4.3Å; L122-F169 HydrophobicContact CG-CE1 4.21Å
123K98Very high98.1Very high190 Ų19043 Ų4383%0.82623%0.232SC*.Hα-helixtrans-64.9-39.5173.5-177.3178.7178.1-178.60112.4T119 S120 V121T119-K123 VanDerWaalsContact O-CB 3.24Å; T119-K123 WeakPolarHBondContact O-CB 2.96Å; T119-K123 PolarHBondContact O-N 3.36Å; S120-K123 PolarHBondContact O-N 3.28Å; V121-K123 VanDerWaalsContact C-N 3.32Å; V121-K123 PolarHBondContact O-N 3Å
124E98.2Very high98.1Very high99 Ų9942.5 Ų42.546%0.46323%0.226SC..Hα-helixtrans-83.2-40.7-175.6-173.8170159.300112.9K102 Y104 S120 V121K102-E124 WeakPolarHBondContact CD-OE1 3.49Å; K102-E124 VanDerWaalsContact CE-OE1 3.26Å; K102-E124 WeakPolarHBondContact CE-OE1 3.38Å; K102-E124 VanDerWaalsContact CE-OE2 3.3Å; K102-E124 WeakPolarHBondContact CE-OE2 3.28Å; K102-E124 IonicContact NZ-OE1 3.26Å; K102-E124 PolarHBondContact NZ-OE1 3.49Å; K102-E124 IonicContact NZ-OE2 2.74Å; K102-E124 PolarHBondContact NZ-OE2 3.33Å; Y104-E124 PolarHBondContact OH-OE2 2.73Å; S120-E124 WeakPolarHBondContact O-CB 3.48Å; S120-E124 PolarHBondContact O-N 3.11Å; V121-E124 PolarHBondContact O-N 3.24Å
125F97.3Very high98.1Very high52 Ų5242.9 Ų42.923%0.22823%0.23CC..Hα-helixtrans-109.2-11.5-172.9-65-90.7000113.9V51 I77 K102 V121 K127V51-F125 HydrophobicContact CG1-CB 4Å; V51-F125 HydrophobicContact CG1-CD1 3.9Å; V51-F125 HydrophobicContact CG1-CG 4.02Å; V51-F125 HydrophobicContact CG2-CB 4.41Å; V51-F125 HydrophobicContact CG2-CD1 4.36Å; I77-F125 HydrophobicContact CD1-CD1 4.33Å; I77-F125 HydrophobicContact CD1-CD2 3.52Å; I77-F125 HydrophobicContact CD1-CE1 4.39Å; I77-F125 HydrophobicContact CD1-CE2 3.61Å; I77-F125 HydrophobicContact CD1-CG 3.92Å; I77-F125 HydrophobicContact CD1-CZ 4.06Å; I77-F125 HydrophobicContact CG1-CD2 4.31Å; I77-F125 HydrophobicContact CG1-CE1 4.35Å; I77-F125 HydrophobicContact CG1-CE2 3.91Å; I77-F125 HydrophobicContact CG1-CZ 3.93Å; K102-F125 HydrophobicContact CB-CE2 4.37Å; K102-F125 HydrophobicContact CB-CZ 3.89Å; K102-F125 HydrophobicContact CG-CE2 4.16Å; K102-F125 HydrophobicContact CG-CZ 4.09Å; V121-F125 HydrophobicContact CG1-CD2 4.39Å; V121-F125 WeakPolarHBondContact O-CB 3.41Å; V121-F125 WeakPolarHBondContact O-CD2 3.13Å; V121-F125 PolarHBondContact O-N 2.84Å; F125-K127 PolarHBondContact O-N 2.94Å
126G95.2Very high98Very high54 Ų5440.8 Ų40.856%0.55722%0.224SC*.SBendtrans74.6-30.8-175.500000114.7L122L122-G126 WeakPolarHBondContact O-CA 3.32Å; L122-G126 PolarHBondContact O-N 3.14Å
127K95.3Very high97.9Very high85 Ų8537.8 Ų37.837%0.3721%0.213SC..  trans-157.8162.9-177.863.6-176.8-177178.50112.3V51 F125 T129V51-K127 WeakPolarHBondContact CB-O 3.44Å; V51-K127 WeakPolarHBondContact CG1-O 3.08Å; F125-K127 PolarHBondContact O-N 2.94Å; K127-T129 HydrophobicContact CD-CG2 3.71Å; K127-T129 HydrophobicContact CG-CG2 4.13Å
128V98.2Very high97.8Very high0 Ų037.9 Ų37.90%021%0.213CC..  trans-120122.1161.6172.40000107.2L53 V121 V130 L131 F169 S172 M173L53-V128 HydrophobicContact CB-CG1 3.83Å; L53-V128 HydrophobicContact CB-CG2 4.32Å; L53-V128 HydrophobicContact CD1-CG2 4.28Å; V121-V128 HydrophobicContact CG1-CG2 3.51Å; V128-V130 WeakPolarHBondContact CG1-O 3.48Å; V128-L131 HydrophobicContact CG1-CB 4.31Å; V128-F169 HydrophobicContact CB-CB 4.23Å; V128-F169 HydrophobicContact CB-CD1 3.82Å; V128-F169 HydrophobicContact CB-CE1 4.41Å; V128-F169 HydrophobicContact CB-CG 4.06Å; V128-F169 HydrophobicContact CG2-CD1 3.5Å; V128-F169 HydrophobicContact CG2-CE1 3.6Å; V128-F169 HydrophobicContact CG2-CG 4.11Å; V128-F169 HydrophobicContact CG2-CZ 4.27Å; V128-S172 PolarHBondContact N-OG 3.38Å; V128-M173 HydrophobicContact CG1-CE 4.24Å; V128-M173 WeakPolarHBondContact O-CE 3.49Å; V128-M173 WeakPolarHBondContact O-CG 3.3Å
129T98.3Very high97.6Very high2 Ų239.6 Ų39.61%0.01222%0.221CC..SBendtrans-102.8-19.1-179.156.90000112.7D50 V51 K127 R193 G194 H195D50-T129 VanDerWaalsContact CA-OG1 3.27Å; D50-T129 WeakPolarHBondContact CA-OG1 3.15Å; D50-T129 VanDerWaalsContact CB-OG1 3.23Å; D50-T129 WeakPolarHBondContact CB-OG1 3.49Å; D50-T129 VanDerWaalsContact CG-OG1 3.27Å; D50-T129 WeakPolarHBondContact OD1-CB 3.19Å; D50-T129 PolarHBondContact OD1-OG1 3.33Å; V51-T129 PolarHBondContact N-OG1 2.63Å; V51-T129 PolarHBondContact O-N 3.24Å; V51-T129 PolarHBondContact O-OG1 3.4Å; K127-T129 HydrophobicContact CD-CG2 3.71Å; K127-T129 HydrophobicContact CG-CG2 4.13Å; T129-R193 HydrophobicContact CG2-CG 4.38Å; T129-G194 CarbonylContact O-C 3.21Å; T129-G194 VanDerWaalsContact O-C 3.3Å; T129-G194 VanDerWaalsContact O-CA 3.23Å; T129-G194 WeakPolarHBondContact O-CA 3.47Å; T129-H195 PolarHBondContact O-N 2.94Å
130V98.8Very high97.3Very high1 Ų135.2 Ų35.21%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-127.9117168.8-175.10000108.9D50 V51 I52 L53 V128 V132 H195 V283D50-V130 HydrophobicContact CB-CG2 4.24Å; V51-V130 PolarHBondContact O-N 3.07Å; I52-V130 CarbonylContact C-O 3.36Å; I52-V130 WeakPolarHBondContact CA-O 3.48Å; I52-V130 HydrophobicContact CB-CB 4.22Å; I52-V130 HydrophobicContact CD1-CG2 4.49Å; I52-V130 HydrophobicContact CG1-CB 3.91Å; I52-V130 HydrophobicContact CG1-CG2 4.04Å; I52-V130 HydrophobicContact CG2-CB 4.04Å; I52-V130 HydrophobicContact CG2-CG1 4.06Å; L53-V130 PolarHBondContact N-O 3.46Å; V128-V130 WeakPolarHBondContact CG1-O 3.48Å; V130-V132 HydrophobicContact CG1-CG2 4.03Å; V130-H195 CarbonylContact C-O 3.59Å; V130-H195 VanDerWaalsContact CA-O 3.24Å; V130-H195 WeakPolarHBondContact CA-O 3.4Å; V130-H195 HydrophobicContact CG1-CB 4.37Å; V130-H195 HydrophobicContact CG2-CB 4.18Å; V130-V283 HydrophobicContact CG1-CG1 4.31Å
131L98.9Very high97.1Very high1 Ų133.9 Ų33.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-109.3114.4176173.263000109.2L53 V128 L165 I166 F169 M173 H195 I196 V197L53-L131 HydrophobicContact CB-CD1 4.4Å; L53-L131 HydrophobicContact CD2-CD1 3.69Å; V128-L131 HydrophobicContact CG1-CB 4.31Å; L131-L165 HydrophobicContact CD1-CB 4.37Å; L131-L165 HydrophobicContact CD2-CB 4Å; L131-I166 HydrophobicContact CD2-CG1 3.88Å; L131-F169 HydrophobicContact CD1-CD2 4.08Å; L131-F169 HydrophobicContact CD1-CE2 4.49Å; L131-F169 HydrophobicContact CD2-CD2 4.28Å; L131-M173 HydrophobicContact CB-CE 3.8Å; L131-H195 PolarHBondContact N-O 3.47Å; L131-I196 CarbonylContact O-C 3.41Å; L131-I196 WeakPolarHBondContact O-CA 3.27Å; L131-V197 PolarHBondContact O-N 3.27Å
132V98.9Very high96.9Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-103.595.9177.8-1730000109.5I52 L53 V54 T55 M65 F69 V130 N134 V197 V199I52-V132 HydrophobicContact CG2-CG2 4.43Å; L53-V132 PolarHBondContact O-N 2.95Å; V54-V132 HydrophobicContact CB-CB 4.41Å; V54-V132 HydrophobicContact CG1-CB 4.29Å; V54-V132 HydrophobicContact CG1-CG1 4.3Å; V54-V132 HydrophobicContact CG2-CB 4.17Å; V54-V132 HydrophobicContact CG2-CG2 4.15Å; T55-V132 PolarHBondContact N-O 3.47Å; T55-V132 PolarHBondContact OG1-O 3.33Å; M65-V132 HydrophobicContact CE-CG1 3.84Å; M65-V132 HydrophobicContact SD-CG1 3.85Å; F69-V132 HydrophobicContact CE2-CG2 3.9Å; F69-V132 HydrophobicContact CZ-CG2 4.09Å; V130-V132 HydrophobicContact CG1-CG2 4.03Å; V132-N134 VanDerWaalsContact C-N 3.31Å; V132-N134 HydrophobicContact CG1-CB 3.92Å; V132-N134 PolarHBondContact O-N 3.21Å; V132-V197 HydrophobicContact CB-CB 4.31Å; V132-V197 HydrophobicContact CG1-CB 4.08Å; V132-V197 HydrophobicContact CG1-CG1 4.25Å; V132-V197 HydrophobicContact CG2-CB 4.15Å; V132-V197 HydrophobicContact CG2-CG2 4.03Å; V132-V199 HydrophobicContact CG1-CG2 4.33Å
133N98.8Very high96.7Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-75.585171.6-66.8-60.4000109.1L165 V197 V199N133-L165 VanDerWaalsContact OD1-CD1 3.3Å; N133-L165 WeakPolarHBondContact OD1-CD1 3.5Å; N133-V197 WeakPolarHBondContact CB-O 3.3Å; N133-V197 PolarHBondContact N-O 3.46Å; N133-V199 PolarHBondContact O-N 2.7Å
134N98.7Very high96.7Very high13 Ų1336.4 Ų36.47%0.0721%0.213CC..  trans-112.1-27.6-175.2163.779.5000114.2T55 I61 G62 M65 V132 G136 V199T55-N134 VanDerWaalsContact O-CB 3.27Å; T55-N134 WeakPolarHBondContact O-CB 3.46Å; T55-N134 PolarHBondContact O-ND2 3.09Å; T55-N134 PolarHBondContact OG1-N 2.93Å; I61-N134 WeakPolarHBondContact CD1-OD1 3.27Å; I61-N134 VanDerWaalsContact CG1-OD1 3.24Å; I61-N134 WeakPolarHBondContact CG1-OD1 3.44Å; G62-N134 WeakPolarHBondContact CA-ND2 3.26Å; M65-N134 HydrophobicContact CE-CB 3.56Å; M65-N134 VanDerWaalsContact CE-OD1 3.3Å; M65-N134 WeakPolarHBondContact CE-OD1 3.41Å; V132-N134 VanDerWaalsContact C-N 3.31Å; V132-N134 HydrophobicContact CG1-CB 3.92Å; V132-N134 PolarHBondContact O-N 3.21Å; N134-G136 PolarHBondContact O-N 3.39Å; N134-V199 HydrophobicContact CB-CB 4.27Å; N134-V199 HydrophobicContact CB-CG2 3.77Å
135A98.2Very high96.5Very high9 Ų936.3 Ų36.37%0.07422%0.216CC..  trans-48.5135.2178.300000111.2T55 L108 V157T55-A135 PolarHBondContact O-N 3.25Å; T55-A135 PolarHBondContact OG1-N 3.04Å; L108-A135 HydrophobicContact CD1-CB 3.46Å; L108-A135 VanDerWaalsContact CD1-CB 3.46Å; A135-V157 HydrophobicContact CB-CG1 4.16Å
136G97Very high96.5Very high23 Ų2334.9 Ų34.924%0.23721%0.211CC..  trans-159.9147.6-178.200000112.6N134 N158 M255N134-G136 PolarHBondContact O-N 3.39Å; G136-N158 WeakPolarHBondContact CA-OD1 3.49Å; G136-M255 WeakPolarHBondContact O-CE 3.47Å
137V96.4Very high96.6Very high45 Ų4536.4 Ų36.427%0.27321%0.209SC..  trans-130.2154.6172.9-620000110.2C154 V157 N158 Y214V137-C154 HydrophobicContact CG2-CB 4.32Å; V137-V157 HydrophobicContact CG1-CG1 4.31Å; V137-V157 HydrophobicContact CG1-CG2 4.4Å; V137-V157 HydrophobicContact CG2-CB 4.08Å; V137-V157 HydrophobicContact CG2-CG2 4.32Å; V137-N158 PolarHBondContact N-OD1 2.97Å; V137-N158 PolarHBondContact O-ND2 3.21Å; V137-Y214 VanDerWaalsContact O-CD2 3.25Å; V137-Y214 WeakPolarHBondContact O-CD2 3.27Å
138M94.8Very high96.7Very high10 Ų1039.9 Ų39.95%0.04923%0.227CC..  trans-142.3122.3176178.7177.8177.800109.3A140 L208 Y214 M255 F256 L327 R331M138-A140 HydrophobicContact CE-CB 3.9Å; M138-A140 HydrophobicContact CG-CB 4.3Å; M138-L208 HydrophobicContact CE-CD1 4.02Å; M138-Y214 HydrophobicContact CB-CD2 3.56Å; M138-Y214 HydrophobicContact CB-CE2 3.94Å; M138-Y214 HydrophobicContact CB-CG 4.04Å; M138-Y214 HydrophobicContact CG-CD1 4.36Å; M138-Y214 HydrophobicContact CG-CD2 3.85Å; M138-Y214 HydrophobicContact CG-CE2 4.46Å; M138-Y214 HydrophobicContact CG-CG 3.77Å; M138-Y214 HydrophobicContact SD-CD1 4.06Å; M138-Y214 HydrophobicContact SD-CD2 4.4Å; M138-Y214 HydrophobicContact SD-CE1 4.33Å; M138-Y214 HydrophobicContact SD-CG 4.08Å; M138-M255 HydrophobicContact CB-CG 4.42Å; M138-M255 HydrophobicContact CB-SD 4.4Å; M138-F256 HydrophobicContact CE-CE1 4.42Å; M138-F256 HydrophobicContact SD-CE1 3.51Å; M138-F256 VanDerWaalsContact SD-CE1 3.51Å; M138-F256 HydrophobicContact SD-CZ 3.79Å; M138-L327 HydrophobicContact CE-CD1 4.37Å; M138-R331 PolarHBondContact O-NH2 3.49Å
139N94.4Very high96.7Very high45 Ų4545.3 Ų45.324%0.24126%0.256CS..  trans-74.5-37.6178.6-67.7-49.9000112.4L146 S150 D213 R331N139-L146 HydrophobicContact CB-CD2 3.53Å; N139-S150 PolarHBondContact ND2-O 3.15Å; N139-D213 PolarHBondContact ND2-OD2 2.9Å; N139-R331 PolarHBondContact O-NH1 2.9Å
140A92.7Very high96.6Very high1 Ų146.3 Ų46.31%0.00826%0.263CS..  trans57.961.2-178.400000112.1M138 G210 V324 L327M138-A140 HydrophobicContact CE-CB 3.9Å; M138-A140 HydrophobicContact CG-CB 4.3Å; A140-G210 CarbonylContact C-O 3.54Å; A140-G210 WeakPolarHBondContact CA-O 3.44Å; A140-V324 WeakPolarHBondContact O-CG1 3.22Å; A140-L327 HydrophobicContact CB-CB 4.17Å; A140-L327 HydrophobicContact CB-CD1 3.54Å; A140-L327 HydrophobicContact CB-CG 4.48Å
141D94Very high96.6Very high28 Ų2848.6 Ų48.615%0.1528%0.275CS..BIsolated β-bridgetrans-142.8158.5174.9-141.9-32.8000111.9D145 L146 G210 K328D141-D145 VanDerWaalsContact OD1-CB 3.28Å; D141-D145 WeakPolarHBondContact OD1-CB 3.44Å; D141-L146 HydrophobicContact CB-CD2 3.58Å; D141-L146 HydrophobicContact CB-CG 4Å; D141-G210 CarbonylContact C-O 3.58Å; D141-G210 PolarHBondContact N-O 3.5Å; D141-G210 CarbonylContact O-C 3.56Å; D141-G210 WeakPolarHBondContact O-CA 3.46Å; D141-G210 VanDerWaalsContact O-O 3.04Å; D141-K328 VanDerWaalsContact OD1-CE 3.22Å; D141-K328 WeakPolarHBondContact OD1-CE 3.42Å; D141-K328 IonicContact OD1-NZ 2.77Å; D141-K328 PolarHBondContact OD1-NZ 3.45Å; D141-K328 WeakPolarHBondContact OD2-CE 3.47Å; D141-K328 IonicContact OD2-NZ 3.74Å; D141-K328 PolarHBondContact OD2-NZ 3.28Å; D141-K328 VanDerWaalsContact OD2-NZ 3.09Å
142F94.4Very high96.6Very high89 Ų8952.7 Ų52.739%0.3929%0.294SS..  trans-68.1149.5170.5-68.1-66.6000110.4A144 D145 L146 A209F142-A144 PolarHBondContact O-N 3.31Å; F142-A144 VanDerWaalsContact O-N 3.1Å; F142-D145 PolarHBondContact O-N 3.25Å; F142-L146 PolarHBondContact O-N 3.07Å; F142-L146 VanDerWaalsContact O-N 3.15Å; F142-A209 HydrophobicContact CE1-CB 4.42Å
143I94.9Very high96.6Very high115 Ų11554.6 Ų54.659%0.5930%0.304SS*.THydrogen-bonded Turntrans-57.5-31.9-174.5-17357.4000113.5D145 L146 I151I143-D145 VanDerWaalsContact C-N 3.26Å; I143-D145 PolarHBondContact O-N 2.98Å; I143-L146 HydrophobicContact CD1-CD1 4.2Å; I143-I151 HydrophobicContact CD1-CD1 4.33Å
144A96.3Very high96.5Very high92 Ų9254.6 Ų54.676%0.7630%0.304SS*.THydrogen-bonded Turntrans-70.6-22.6178.100000113.3F142F142-A144 PolarHBondContact O-N 3.31Å; F142-A144 VanDerWaalsContact O-N 3.1Å
145D95.7Very high96.5Very high98 Ų9856.6 Ų56.652%0.52431%0.312SS..THydrogen-bonded Turntrans-105.4-9-174.2-60.6-43.5000112.4D141 F142 I143D141-D145 VanDerWaalsContact OD1-CB 3.28Å; D141-D145 WeakPolarHBondContact OD1-CB 3.44Å; F142-D145 PolarHBondContact O-N 3.25Å; I143-D145 VanDerWaalsContact C-N 3.26Å; I143-D145 PolarHBondContact O-N 2.98Å
146L95.8Very high96.6Very high21 Ų2160 Ų6011%0.1132%0.323CS..  trans-71.5133.8175.2-73.5173.4000110.9N139 D141 F142 I143 I151 D213N139-L146 HydrophobicContact CB-CD2 3.53Å; D141-L146 HydrophobicContact CB-CD2 3.58Å; D141-L146 HydrophobicContact CB-CG 4Å; F142-L146 PolarHBondContact O-N 3.07Å; F142-L146 VanDerWaalsContact O-N 3.15Å; I143-L146 HydrophobicContact CD1-CD1 4.2Å; L146-I151 HydrophobicContact CB-CD1 3.89Å; L146-I151 HydrophobicContact CB-CG1 3.91Å; L146-I151 HydrophobicContact CD1-CD1 4.38Å; L146-I151 HydrophobicContact CD1-CG1 4.05Å; L146-D213 HydrophobicContact CD1-CB 4.06Å
147T97.5Very high96.6Very high86 Ų8659.5 Ų59.553%0.52832%0.315SS..  trans-77.4149.3169.169.70000110.2D149 S150 I151T147-D149 VanDerWaalsContact C-N 3.28Å; T147-D149 PolarHBondContact O-N 2.91Å; T147-S150 PolarHBondContact N-OG 2.99Å; T147-S150 PolarHBondContact O-N 2.81Å; T147-S150 VanDerWaalsContact O-N 3.12Å; T147-S150 PolarHBondContact O-OG 3.15Å; T147-S150 VanDerWaalsContact OG1-CB 3.27Å; T147-S150 WeakPolarHBondContact OG1-CB 3.24Å; T147-S150 PolarHBondContact OG1-N 2.88Å; T147-S150 PolarHBondContact OG1-OG 2.9Å; T147-I151 WeakPolarHBondContact O-CG1 3.23Å; T147-I151 PolarHBondContact O-N 2.92Å
148Q98Very high96.7Very high158 Ų15857.3 Ų57.374%0.73830%0.302SS*.Hα-helixtrans-55.8-44.9177-65.8177.73.900111.4S150 I151 E152Q148-S150 VanDerWaalsContact C-N 3.33Å; Q148-S150 PolarHBondContact O-N 3.46Å; Q148-I151 WeakPolarHBondContact O-CB 3.33Å; Q148-I151 PolarHBondContact O-N 3.14Å; Q148-E152 PolarHBondContact O-N 2.78Å
149D98.1Very high96.9Very high115 Ų11557.2 Ų57.262%0.61530%0.302SS*.Hα-helixtrans-59.4-40.6177.3-66.1-25.1000112.7T147 I151 E152 D153T147-D149 VanDerWaalsContact C-N 3.28Å; T147-D149 PolarHBondContact O-N 2.91Å; D149-I151 VanDerWaalsContact C-N 3.32Å; D149-I151 PolarHBondContact O-N 2.83Å; D149-E152 PolarHBondContact O-N 2.92Å; D149-D153 WeakPolarHBondContact O-CB 3.4Å; D149-D153 PolarHBondContact O-N 3.45Å
150S97.1Very high97.1Very high22 Ų2259.2 Ų59.215%0.15431%0.309CS..Hα-helixtrans-65.7-36.817975.10000112.2N139 T147 Q148 C154N139-S150 PolarHBondContact ND2-O 3.15Å; T147-S150 PolarHBondContact N-OG 2.99Å; T147-S150 PolarHBondContact O-N 2.81Å; T147-S150 VanDerWaalsContact O-N 3.12Å; T147-S150 PolarHBondContact O-OG 3.15Å; T147-S150 VanDerWaalsContact OG1-CB 3.27Å; T147-S150 WeakPolarHBondContact OG1-CB 3.24Å; T147-S150 PolarHBondContact OG1-N 2.88Å; T147-S150 PolarHBondContact OG1-OG 2.9Å; Q148-S150 VanDerWaalsContact C-N 3.33Å; Q148-S150 PolarHBondContact O-N 3.46Å; S150-C154 WeakPolarHBondContact O-CB 3.29Å; S150-C154 PolarHBondContact O-N 3.33Å
151I98.2Very high97.4Very high49 Ų4959.2 Ų59.225%0.25131%0.308SS..Hα-helixtrans-67-47.4175.9-62.7167.2000109.3I143 L146 T147 Q148 D149 C154 F155 D213I143-I151 HydrophobicContact CD1-CD1 4.33Å; L146-I151 HydrophobicContact CB-CD1 3.89Å; L146-I151 HydrophobicContact CB-CG1 3.91Å; L146-I151 HydrophobicContact CD1-CD1 4.38Å; L146-I151 HydrophobicContact CD1-CG1 4.05Å; T147-I151 WeakPolarHBondContact O-CG1 3.23Å; T147-I151 PolarHBondContact O-N 2.92Å; Q148-I151 WeakPolarHBondContact O-CB 3.33Å; Q148-I151 PolarHBondContact O-N 3.14Å; D149-I151 VanDerWaalsContact C-N 3.32Å; D149-I151 PolarHBondContact O-N 2.83Å; I151-C154 WeakPolarHBondContact O-CB 3.41Å; I151-C154 PolarHBondContact O-N 3.14Å; I151-F155 HydrophobicContact CG2-CD2 4.44Å; I151-F155 PolarHBondContact O-N 2.82Å; I151-F155 VanDerWaalsContact O-N 3.13Å; I151-D213 HydrophobicContact CG1-CB 4.45Å; I151-D213 HydrophobicContact CG2-CB 4.47Å
152E98.4Very high97.7Very high88 Ų8858 Ų5841%0.41130%0.302SS..Hα-helixtrans-59.7-48.3177.8-74.4-166.3-16800112Q148 D149 C154 F155 R156Q148-E152 PolarHBondContact O-N 2.78Å; D149-E152 PolarHBondContact O-N 2.92Å; E152-C154 VanDerWaalsContact C-N 3.27Å; E152-C154 PolarHBondContact O-N 2.83Å; E152-F155 PolarHBondContact O-N 3.05Å; E152-F155 VanDerWaalsContact O-N 3.13Å; E152-R156 WeakPolarHBondContact O-CB 3.27Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.47Å; E152-R156 PolarHBondContact O-N 3.42Å; E152-R156 IonicContact OE2-CZ 3.03Å; E152-R156 IonicContact OE2-NE 3.05Å; E152-R156 IonicContact OE2-NH2 3.18Å; E152-R156 PolarHBondContact OE2-NH2 3.13Å
153D98.3Very high97.9Very high39 Ų3957.3 Ų57.321%0.20930%0.299CS..Hα-helixtrans-62.3-36.5179.5-85.9-0.3000112.1R109 D149 R156 V157R109-D153 WeakPolarHBondContact CD-OD1 3.41Å; R109-D153 WeakPolarHBondContact CD-OD2 3.23Å; R109-D153 IonicContact CZ-OD2 2.63Å; R109-D153 IonicContact NH1-OD2 3.09Å; R109-D153 PolarHBondContact NH1-OD2 2.99Å; D149-D153 WeakPolarHBondContact O-CB 3.4Å; D149-D153 PolarHBondContact O-N 3.45Å; D153-R156 PolarHBondContact O-N 3.47Å; D153-R156 IonicContact OD1-NH1 3.99Å; D153-R156 PolarHBondContact OD1-NH1 2.97Å; D153-V157 WeakPolarHBondContact O-CG2 3.4Å; D153-V157 PolarHBondContact O-N 2.94Å
154C98.4Very high98Very high0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-58.8-47.5172.8-1720000111.5V137 S150 I151 E152 N158 D213V137-C154 HydrophobicContact CG2-CB 4.32Å; S150-C154 WeakPolarHBondContact O-CB 3.29Å; S150-C154 PolarHBondContact O-N 3.33Å; I151-C154 WeakPolarHBondContact O-CB 3.41Å; I151-C154 PolarHBondContact O-N 3.14Å; E152-C154 VanDerWaalsContact C-N 3.27Å; E152-C154 PolarHBondContact O-N 2.83Å; C154-N158 WeakPolarHBondContact O-CB 3.25Å; C154-N158 VanDerWaalsContact O-CG 3.28Å; C154-N158 PolarHBondContact O-N 3.31Å; C154-D213 PolarHBondContact SG-OD2 3.1Å
155F98.7Very high98.2Very high55 Ų5550.8 Ų50.824%0.24125%0.248CC..Hα-helixtrans-70.4-37.4177.1-88.5-103.1000113.2I151 E152 V157 V159 F160 A216I151-F155 HydrophobicContact CG2-CD2 4.44Å; I151-F155 PolarHBondContact O-N 2.82Å; I151-F155 VanDerWaalsContact O-N 3.13Å; E152-F155 PolarHBondContact O-N 3.05Å; E152-F155 VanDerWaalsContact O-N 3.13Å; F155-V157 VanDerWaalsContact C-N 3.35Å; F155-V157 PolarHBondContact O-N 2.85Å; F155-V159 HydrophobicContact CD1-CB 4.28Å; F155-V159 HydrophobicContact CD1-CG2 3.79Å; F155-V159 HydrophobicContact CE1-CG2 4.22Å; F155-V159 HydrophobicContact CG-CG2 4.39Å; F155-V159 CarbonylContact O-C 3.59Å; F155-V159 WeakPolarHBondContact O-CA 3.43Å; F155-V159 VanDerWaalsContact O-CB 3.3Å; F155-V159 WeakPolarHBondContact O-CB 3.11Å; F155-V159 PolarHBondContact O-N 3.25Å; F155-F160 HydrophobicContact CB-CE2 4.18Å; F155-F160 PolarHBondContact O-N 3.26Å; F155-A216 HydrophobicContact CE2-CB 4.36Å; F155-A216 HydrophobicContact CZ-CB 3.87Å
156R98.7Very high98.3Very high81 Ų8146.7 Ų46.731%0.30623%0.226SC..Iπ-helixtrans-59.9-45.9176.9-71.2171.4-1771741111.2R109 E152 D153 F160 S161R109-R156 HydrophobicContact CB-CB 4.22Å; R109-R156 HydrophobicContact CG-CB 4.21Å; E152-R156 WeakPolarHBondContact O-CB 3.27Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.47Å; E152-R156 PolarHBondContact O-N 3.42Å; E152-R156 IonicContact OE2-CZ 3.03Å; E152-R156 IonicContact OE2-NE 3.05Å; E152-R156 IonicContact OE2-NH2 3.18Å; E152-R156 PolarHBondContact OE2-NH2 3.13Å; D153-R156 PolarHBondContact O-N 3.47Å; D153-R156 IonicContact OD1-NH1 3.99Å; D153-R156 PolarHBondContact OD1-NH1 2.97Å; R156-F160 HydrophobicContact CB-CD2 4.37Å; R156-F160 HydrophobicContact CG-CD2 3.93Å; R156-F160 HydrophobicContact CG-CE2 4.46Å; R156-S161 WeakPolarHBondContact O-CB 3.31Å; R156-S161 PolarHBondContact O-N 3.36Å
157V98.7Very high98.4Very high12 Ų1251.8 Ų51.87%0.07325%0.249CC..Iπ-helixtrans-74.9-52.1177.5-179.70000111.8R109 A135 V137 D153 F155 S161R109-V157 HydrophobicContact CG-CG2 3.58Å; A135-V157 HydrophobicContact CB-CG1 4.16Å; V137-V157 HydrophobicContact CG1-CG1 4.31Å; V137-V157 HydrophobicContact CG1-CG2 4.4Å; V137-V157 HydrophobicContact CG2-CB 4.08Å; V137-V157 HydrophobicContact CG2-CG2 4.32Å; D153-V157 WeakPolarHBondContact O-CG2 3.4Å; D153-V157 PolarHBondContact O-N 2.94Å; F155-V157 VanDerWaalsContact C-N 3.35Å; F155-V157 PolarHBondContact O-N 2.85Å; V157-S161 WeakPolarHBondContact O-CB 3.5Å; V157-S161 PolarHBondContact O-OG 3.03Å
158N98.6Very high98.4Very high0 Ų048.8 Ų48.80%023%0.233CC..Iπ-helixtrans-82-16.9-168-63.60.3000113.9G136 V137 C154 H162 S217G136-N158 WeakPolarHBondContact CA-OD1 3.49Å; V137-N158 PolarHBondContact N-OD1 2.97Å; V137-N158 PolarHBondContact O-ND2 3.21Å; C154-N158 WeakPolarHBondContact O-CB 3.25Å; C154-N158 VanDerWaalsContact O-CG 3.28Å; C154-N158 PolarHBondContact O-N 3.31Å; N158-H162 PolarHBondContact O-NE2 3.09Å; N158-S217 PolarHBondContact ND2-OG 2.87Å
159V98.8Very high98.4Very high7 Ų741.2 Ų41.24%0.04220%0.197CC..Iπ-helixtrans-127.9-64.6-174-171.90000111.7F155 S161 H162 F163 S217 A220F155-V159 HydrophobicContact CD1-CB 4.28Å; F155-V159 HydrophobicContact CD1-CG2 3.79Å; F155-V159 HydrophobicContact CE1-CG2 4.22Å; F155-V159 HydrophobicContact CG-CG2 4.39Å; F155-V159 CarbonylContact O-C 3.59Å; F155-V159 WeakPolarHBondContact O-CA 3.43Å; F155-V159 VanDerWaalsContact O-CB 3.3Å; F155-V159 WeakPolarHBondContact O-CB 3.11Å; F155-V159 PolarHBondContact O-N 3.25Å; V159-S161 VanDerWaalsContact C-N 3.29Å; V159-S161 PolarHBondContact O-N 3.32Å; V159-H162 WeakPolarHBondContact O-CB 3.35Å; V159-H162 PolarHBondContact O-N 3.45Å; V159-F163 HydrophobicContact CG1-CD2 4.15Å; V159-F163 HydrophobicContact CG1-CE2 3.83Å; V159-F163 WeakPolarHBondContact O-CD2 3.36Å; V159-F163 PolarHBondContact O-N 2.9Å; V159-S217 WeakPolarHBondContact CG2-O 3.47Å; V159-A220 HydrophobicContact CG1-CB 4.17Å; V159-A220 HydrophobicContact CG2-CB 4.01Å
160F98.7Very high98.4Very high88 Ų8836.9 Ų36.939%0.38617%0.174SC..Iπ-helixtrans-64.8-35.2-171.6-58.1-39.3000112.3F155 R156 H162 F163 Y164F155-F160 HydrophobicContact CB-CE2 4.18Å; F155-F160 PolarHBondContact O-N 3.26Å; R156-F160 HydrophobicContact CB-CD2 4.37Å; R156-F160 HydrophobicContact CG-CD2 3.93Å; R156-F160 HydrophobicContact CG-CE2 4.46Å; F160-H162 PolarHBondContact O-N 2.99Å; F160-F163 WeakPolarHBondContact O-CB 3.29Å; F160-F163 PolarHBondContact O-N 2.95Å; F160-F163 VanDerWaalsContact O-N 3.16Å; F160-Y164 HydrophobicContact CB-CD2 4.33Å; F160-Y164 HydrophobicContact CB-CE2 3.75Å; F160-Y164 WeakPolarHBondContact O-CD2 3.2Å; F160-Y164 VanDerWaalsContact O-CG 3.32Å; F160-Y164 PolarHBondContact O-N 2.87Å
161S98.7Very high98.3Very high0 Ų039.7 Ų39.70%019%0.192CC..Hα-helixtrans-58.1-36.8173.182.60000112.4R156 V157 V159 Y164 L165R156-S161 WeakPolarHBondContact O-CB 3.31Å; R156-S161 PolarHBondContact O-N 3.36Å; V157-S161 WeakPolarHBondContact O-CB 3.5Å; V157-S161 PolarHBondContact O-OG 3.03Å; V159-S161 VanDerWaalsContact C-N 3.29Å; V159-S161 PolarHBondContact O-N 3.32Å; S161-Y164 PolarHBondContact O-N 2.8Å; S161-L165 VanDerWaalsContact O-CB 3.24Å; S161-L165 WeakPolarHBondContact O-CB 3.39Å; S161-L165 WeakPolarHBondContact O-CD1 3.46Å; S161-L165 WeakPolarHBondContact O-CG 3.47Å; S161-L165 PolarHBondContact O-N 3.45Å
162H98.7Very high98.1Very high2 Ų238.7 Ų38.71%0.00919%0.189CC..Hα-helixtrans-64.4-45.5177.4-68.4-147.4000110.3N158 V159 F160 I166 F224N158-H162 PolarHBondContact O-NE2 3.09Å; V159-H162 WeakPolarHBondContact O-CB 3.35Å; V159-H162 PolarHBondContact O-N 3.45Å; F160-H162 PolarHBondContact O-N 2.99Å; H162-I166 VanDerWaalsContact O-CB 3.27Å; H162-I166 WeakPolarHBondContact O-CB 3.27Å; H162-I166 VanDerWaalsContact O-CD1 3.31Å; H162-I166 WeakPolarHBondContact O-CD1 3.4Å; H162-I166 WeakPolarHBondContact O-CG1 3.36Å; H162-I166 PolarHBondContact O-N 2.85Å; H162-F224 HydrophobicContact CB-CD1 4.24Å; H162-F224 HydrophobicContact CB-CE1 3.89Å
163F98.7Very high98Very high75 Ų7534.6 Ų34.633%0.32917%0.17SC..Hα-helixtrans-56.8-52.2175.6-80.9-85.9000111.2V159 F160 I166 Q167 F224V159-F163 HydrophobicContact CG1-CD2 4.15Å; V159-F163 HydrophobicContact CG1-CE2 3.83Å; V159-F163 WeakPolarHBondContact O-CD2 3.36Å; V159-F163 PolarHBondContact O-N 2.9Å; F160-F163 WeakPolarHBondContact O-CB 3.29Å; F160-F163 PolarHBondContact O-N 2.95Å; F160-F163 VanDerWaalsContact O-N 3.16Å; F163-I166 PolarHBondContact O-N 2.78Å; F163-Q167 WeakPolarHBondContact O-CB 3.31Å; F163-Q167 VanDerWaalsContact O-CG 3.29Å; F163-Q167 WeakPolarHBondContact O-CG 3.2Å; F163-Q167 PolarHBondContact O-N 2.97Å; F163-F224 HydrophobicContact CD1-CD2 4.14Å; F163-F224 HydrophobicContact CD1-CE1 4.26Å; F163-F224 AromaticContact CD1-CE2 3.6Å; F163-F224 HydrophobicContact CD1-CE2 3.6Å; F163-F224 AromaticContact CD1-CZ 3.66Å; F163-F224 HydrophobicContact CD1-CZ 3.66Å; F163-F224 HydrophobicContact CD2-CD1 4.31Å; F163-F224 HydrophobicContact CD2-CE1 4.21Å; F163-F224 HydrophobicContact CD2-CZ 4.42Å; F163-F224 AromaticContact CE1-CD2 3.43Å; F163-F224 HydrophobicContact CE1-CD2 3.43Å; F163-F224 VanDerWaalsContact CE1-CD2 3.43Å; F163-F224 HydrophobicContact CE1-CE1 4.42Å; F163-F224 AromaticContact CE1-CE2 3.3Å; F163-F224 HydrophobicContact CE1-CE2 3.3Å; F163-F224 HydrophobicContact CE1-CG 4.09Å; F163-F224 AromaticContact CE1-CZ 3.84Å; F163-F224 HydrophobicContact CE1-CZ 3.84Å; F163-F224 HydrophobicContact CE2-CB 4.42Å; F163-F224 HydrophobicContact CE2-CD1 4.06Å; F163-F224 HydrophobicContact CE2-CD2 4.13Å; F163-F224 HydrophobicContact CE2-CE1 4.36Å; F163-F224 HydrophobicContact CE2-CE2 4.45Å; F163-F224 AromaticContact CE2-CG 3.93Å; F163-F224 HydrophobicContact CE2-CG 3.93Å; F163-F224 HydrophobicContact CG-CE1 4.16Å; F163-F224 HydrophobicContact CG-CE2 4.31Å; F163-F224 AromaticContact CG-CZ 3.98Å; F163-F224 HydrophobicContact CG-CZ 3.98Å; F163-F224 HydrophobicContact CZ-CB 4.19Å; F163-F224 HydrophobicContact CZ-CD1 4.19Å; F163-F224 AromaticContact CZ-CD2 3.42Å; F163-F224 HydrophobicContact CZ-CD2 3.42Å; F163-F224 VanDerWaalsContact CZ-CD2 3.42Å; F163-F224 HydrophobicContact CZ-CE1 4.46Å; F163-F224 AromaticContact CZ-CE2 3.78Å; F163-F224 HydrophobicContact CZ-CE2 3.78Å; F163-F224 AromaticContact CZ-CG 3.66Å; F163-F224 HydrophobicContact CZ-CG 3.66Å; F163-F224 HydrophobicContact CZ-CZ 4.29Å
164Y98.7Very high97.9Very high71 Ų7133.2 Ų33.228%0.27816%0.163SC..Hα-helixtrans-69-40.8-174.8-56.7-35.8000112.7K111 I114 F160 S161 Q167 A168K111-Y164 HydrophobicContact CB-CD2 4.25Å; K111-Y164 HydrophobicContact CB-CE2 4.07Å; K111-Y164 HydrophobicContact CD-CE1 4.42Å; K111-Y164 HydrophobicContact CG-CD2 4.25Å; K111-Y164 HydrophobicContact CG-CE2 4.28Å; K111-Y164 HydrophobicContact CG-CG 4.4Å; I114-Y164 HydrophobicContact CD1-CD2 4Å; F160-Y164 HydrophobicContact CB-CD2 4.33Å; F160-Y164 HydrophobicContact CB-CE2 3.75Å; F160-Y164 WeakPolarHBondContact O-CD2 3.2Å; F160-Y164 VanDerWaalsContact O-CG 3.32Å; F160-Y164 PolarHBondContact O-N 2.87Å; S161-Y164 PolarHBondContact O-N 2.8Å; Y164-Q167 PolarHBondContact O-N 3.37Å; Y164-A168 VanDerWaalsContact O-CB 3.28Å; Y164-A168 WeakPolarHBondContact O-CB 3.28Å; Y164-A168 PolarHBondContact O-N 3.49Å
165L98.9Very high97.3Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-64.8-42.2176-69.9164.4000111.5T55 L108 I114 L117 L131 N133 S161 A168 F169T55-L165 HydrophobicContact CG2-CD1 3.71Å; L108-L165 HydrophobicContact CD1-CD1 4.44Å; L108-L165 HydrophobicContact CD2-CD1 4.24Å; L108-L165 HydrophobicContact CD2-CD2 4.46Å; I114-L165 HydrophobicContact CG2-CD2 3.9Å; I114-L165 HydrophobicContact CG2-CG 4.19Å; L117-L165 HydrophobicContact CD2-CD2 4.19Å; L131-L165 HydrophobicContact CD1-CB 4.37Å; L131-L165 HydrophobicContact CD2-CB 4Å; N133-L165 VanDerWaalsContact OD1-CD1 3.3Å; N133-L165 WeakPolarHBondContact OD1-CD1 3.5Å; S161-L165 VanDerWaalsContact O-CB 3.24Å; S161-L165 WeakPolarHBondContact O-CB 3.39Å; S161-L165 WeakPolarHBondContact O-CD1 3.46Å; S161-L165 WeakPolarHBondContact O-CG 3.47Å; S161-L165 PolarHBondContact O-N 3.45Å; L165-A168 PolarHBondContact O-N 2.86Å; L165-F169 HydrophobicContact CB-CD2 4.5Å; L165-F169 HydrophobicContact CD2-CD2 4.4Å; L165-F169 HydrophobicContact CD2-CE2 3.81Å; L165-F169 WeakPolarHBondContact O-CD2 3.28Å; L165-F169 PolarHBondContact O-N 3.43Å
166I98.6Very high96.4Very high11 Ų1139.6 Ų39.66%0.05619%0.194CC..Hα-helixtrans-66.3-46.1176.8-70162000110.2L131 H162 F163 A168 F169 L170 I196 F224 L228L131-I166 HydrophobicContact CD2-CG1 3.88Å; H162-I166 VanDerWaalsContact O-CB 3.27Å; H162-I166 WeakPolarHBondContact O-CB 3.27Å; H162-I166 VanDerWaalsContact O-CD1 3.31Å; H162-I166 WeakPolarHBondContact O-CD1 3.4Å; H162-I166 WeakPolarHBondContact O-CG1 3.36Å; H162-I166 PolarHBondContact O-N 2.85Å; F163-I166 PolarHBondContact O-N 2.78Å; I166-A168 PolarHBondContact O-N 3.06Å; I166-F169 PolarHBondContact O-N 2.88Å; I166-L170 HydrophobicContact CG2-CB 4.13Å; I166-L170 HydrophobicContact CG2-CD2 4.13Å; I166-L170 WeakPolarHBondContact O-CA 3.46Å; I166-L170 WeakPolarHBondContact O-CB 3.24Å; I166-L170 PolarHBondContact O-N 3.3Å; I166-I196 HydrophobicContact CD1-CG2 3.97Å; I166-I196 HydrophobicContact CG1-CD1 4.35Å; I166-I196 HydrophobicContact CG1-CG2 4.06Å; I166-I196 HydrophobicContact CG2-CD1 4.25Å; I166-F224 HydrophobicContact CD1-CE1 3.5Å; I166-F224 VanDerWaalsContact CD1-CE1 3.5Å; I166-F224 HydrophobicContact CD1-CZ 3.71Å; I166-L228 HydrophobicContact CD1-CD2 3.78Å; I166-L228 HydrophobicContact CG1-CD2 4.43Å; I166-L228 HydrophobicContact CG2-CD1 4.15Å; I166-L228 HydrophobicContact CG2-CD2 4.01Å
167Q97.8Very high95.1Very high129 Ų12940.8 Ų40.860%0.60321%0.205SC*.Hα-helixtrans-57.1-38.1175.4-78.3-179.8-25.800112.6F163 Y164 P171F163-Q167 WeakPolarHBondContact O-CB 3.31Å; F163-Q167 VanDerWaalsContact O-CG 3.29Å; F163-Q167 WeakPolarHBondContact O-CG 3.2Å; F163-Q167 PolarHBondContact O-N 2.97Å; Y164-Q167 PolarHBondContact O-N 3.37Å; Q167-P171 WeakPolarHBondContact O-CD 3.26Å; Q167-P171 WeakPolarHBondContact O-CG 3.19Å
168A98Very high93.6Very high22 Ų2243.8 Ų43.818%0.18222%0.221CC..Hα-helixtrans-74.6-40.9-179.100000113.3Y164 L165 I166Y164-A168 VanDerWaalsContact O-CB 3.28Å; Y164-A168 WeakPolarHBondContact O-CB 3.28Å; Y164-A168 PolarHBondContact O-N 3.49Å; L165-A168 PolarHBondContact O-N 2.86Å; I166-A168 PolarHBondContact O-N 3.06Å
169F98.3Very high91.7Very high0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-99.6-26.6-172.1-65.4-59.2000114.7L53 V121 L122 V128 L131 L165 I166 P171 S172 M173L53-F169 HydrophobicContact CD1-CE1 4.42Å; L53-F169 HydrophobicContact CD1-CE2 3.74Å; L53-F169 HydrophobicContact CD1-CZ 3.61Å; V121-F169 HydrophobicContact CB-CE1 4.03Å; V121-F169 HydrophobicContact CB-CZ 4.23Å; V121-F169 HydrophobicContact CG1-CE1 3.71Å; V121-F169 HydrophobicContact CG1-CZ 4.14Å; L122-F169 HydrophobicContact CD2-CD1 4.15Å; L122-F169 HydrophobicContact CD2-CE1 4.43Å; L122-F169 HydrophobicContact CG-CD1 4.3Å; L122-F169 HydrophobicContact CG-CE1 4.21Å; V128-F169 HydrophobicContact CB-CB 4.23Å; V128-F169 HydrophobicContact CB-CD1 3.82Å; V128-F169 HydrophobicContact CB-CE1 4.41Å; V128-F169 HydrophobicContact CB-CG 4.06Å; V128-F169 HydrophobicContact CG2-CD1 3.5Å; V128-F169 HydrophobicContact CG2-CE1 3.6Å; V128-F169 HydrophobicContact CG2-CG 4.11Å; V128-F169 HydrophobicContact CG2-CZ 4.27Å; L131-F169 HydrophobicContact CD1-CD2 4.08Å; L131-F169 HydrophobicContact CD1-CE2 4.49Å; L131-F169 HydrophobicContact CD2-CD2 4.28Å; L165-F169 HydrophobicContact CB-CD2 4.5Å; L165-F169 HydrophobicContact CD2-CD2 4.4Å; L165-F169 HydrophobicContact CD2-CE2 3.81Å; L165-F169 WeakPolarHBondContact O-CD2 3.28Å; L165-F169 PolarHBondContact O-N 3.43Å; I166-F169 PolarHBondContact O-N 2.88Å; F169-P171 VanDerWaalsContact C-CD 3.46Å; F169-S172 PolarHBondContact O-N 3.47Å; F169-S172 VanDerWaalsContact O-N 3.11Å; F169-S172 PolarHBondContact O-OG 2.9Å; F169-M173 HydrophobicContact CB-CE 4.44Å; F169-M173 PolarHBondContact O-N 3.31Å
170L97.6Very high89.6Confident24 Ų2458.7 Ų58.713%0.12629%0.294CS..Hα-helixtrans-57.8-39.1179.8-179.563.3000113.5I166 S172 M173 I174 I196 L228 L232 I241I166-L170 HydrophobicContact CG2-CB 4.13Å; I166-L170 HydrophobicContact CG2-CD2 4.13Å; I166-L170 WeakPolarHBondContact O-CA 3.46Å; I166-L170 WeakPolarHBondContact O-CB 3.24Å; I166-L170 PolarHBondContact O-N 3.3Å; L170-S172 PolarHBondContact O-N 2.9Å; L170-M173 HydrophobicContact CD1-CB 4.41Å; L170-M173 HydrophobicContact CD1-SD 4.42Å; L170-M173 WeakPolarHBondContact O-CB 3.3Å; L170-M173 PolarHBondContact O-N 2.86Å; L170-I174 HydrophobicContact CD1-CD1 3.94Å; L170-I174 HydrophobicContact CD1-CG1 3.88Å; L170-I174 HydrophobicContact CD2-CD1 4.1Å; L170-I174 HydrophobicContact CG-CD1 3.65Å; L170-I174 HydrophobicContact CG-CG1 4.05Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.37Å; L170-I196 HydrophobicContact CD1-CD1 4.16Å; L170-L228 HydrophobicContact CD2-CD1 4.08Å; L170-L232 HydrophobicContact CD1-CD2 3.98Å; L170-I241 HydrophobicContact CD1-CD1 4.2Å; L170-I241 HydrophobicContact CD1-CG2 4.17Å
171P94.9Very high87.4Confident80 Ų8056.9 Ų56.952%0.51929%0.292SS..Hα-helixtrans-55-39.4175.1-28.236.6000113.3Q167 F169 M173 I174 N175Q167-P171 WeakPolarHBondContact O-CD 3.26Å; Q167-P171 WeakPolarHBondContact O-CG 3.19Å; F169-P171 VanDerWaalsContact C-CD 3.46Å; P171-M173 VanDerWaalsContact C-N 3.34Å; P171-M173 PolarHBondContact O-N 2.65Å; P171-I174 PolarHBondContact O-N 3.46Å; P171-N175 PolarHBondContact O-N 3.37Å
172S93.8Very high85.1Confident29 Ų2962.8 Ų62.820%0.20333%0.333CS..Hα-helixtrans-71.1-26.217777.40000113.6V128 F169 L170V128-S172 PolarHBondContact N-OG 3.38Å; F169-S172 PolarHBondContact O-N 3.47Å; F169-S172 VanDerWaalsContact O-N 3.11Å; F169-S172 PolarHBondContact O-OG 2.9Å; L170-S172 PolarHBondContact O-N 2.9Å
173M97.3Very high82.7Confident2 Ų266.2 Ų66.21%0.0136%0.358CS..Hα-helixtrans-76.9-38.8174.1-63176.8-176.800111.9V128 L131 F169 L170 P171 P192 R193 I196 I241V128-M173 HydrophobicContact CG1-CE 4.24Å; V128-M173 WeakPolarHBondContact O-CE 3.49Å; V128-M173 WeakPolarHBondContact O-CG 3.3Å; L131-M173 HydrophobicContact CB-CE 3.8Å; F169-M173 HydrophobicContact CB-CE 4.44Å; F169-M173 PolarHBondContact O-N 3.31Å; L170-M173 HydrophobicContact CD1-CB 4.41Å; L170-M173 HydrophobicContact CD1-SD 4.42Å; L170-M173 WeakPolarHBondContact O-CB 3.3Å; L170-M173 PolarHBondContact O-N 2.86Å; P171-M173 VanDerWaalsContact C-N 3.34Å; P171-M173 PolarHBondContact O-N 2.65Å; M173-P192 CarbonylContact O-C 3.59Å; M173-P192 VanDerWaalsContact O-CA 3.25Å; M173-P192 WeakPolarHBondContact O-CA 3.44Å; M173-R193 WeakPolarHBondContact CA-O 3.29Å; M173-R193 WeakPolarHBondContact CB-O 3.09Å; M173-R193 PolarHBondContact O-N 2.86Å; M173-I196 HydrophobicContact CE-CG1 4.17Å; M173-I196 HydrophobicContact SD-CD1 4.12Å; M173-I196 HydrophobicContact SD-CG1 3.93Å; M173-I241 HydrophobicContact CB-CD1 3.91Å; M173-I241 HydrophobicContact CB-CG1 4.43Å; M173-I241 HydrophobicContact SD-CG2 4.47Å
174I94.4Very high80.6Confident10 Ų1066.8 Ų66.85%0.05139%0.385CS..Hα-helixtrans-71.8-41.7179.7-70.1177000111L170 P171 K176 F189 L235 I241L170-I174 HydrophobicContact CD1-CD1 3.94Å; L170-I174 HydrophobicContact CD1-CG1 3.88Å; L170-I174 HydrophobicContact CD2-CD1 4.1Å; L170-I174 HydrophobicContact CG-CD1 3.65Å; L170-I174 HydrophobicContact CG-CG1 4.05Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.37Å; P171-I174 PolarHBondContact O-N 3.46Å; I174-K176 HydrophobicContact CG2-CG 3.72Å; I174-F189 HydrophobicContact CG2-CD1 3.17Å; I174-F189 HydrophobicContact CG2-CE1 3.11Å; I174-F189 HydrophobicContact CG2-CG 4.21Å; I174-F189 HydrophobicContact CG2-CZ 4.15Å; I174-L235 HydrophobicContact CD1-CD1 4.16Å; I174-I241 HydrophobicContact CB-CD1 4.34Å; I174-I241 HydrophobicContact CG1-CD1 3.56Å
175N86.8Confident78.4Confident71 Ų7168.3 Ų68.338%0.3840%0.397SS..  trans54.163.9178.6-161.819000113.1P171 R190P171-N175 PolarHBondContact O-N 3.37Å; N175-R190 WeakPolarHBondContact CB-O 3.37Å; N175-R190 PolarHBondContact ND2-O 3.37Å; N175-R190 PolarHBondContact O-N 2.89Å
176K80.2Confident76.4Confident118 Ų11873.5 Ų73.551%0.51343%0.43SS..BIsolated β-bridgetrans-64.2139179.1-69-174.1179.6179.40111.3I174 V187 F189I174-K176 HydrophobicContact CG2-CG 3.72Å; K176-V187 HydrophobicContact CD-CG1 4.37Å; K176-V187 HydrophobicContact CG-CG1 4.26Å; K176-F189 HydrophobicContact CG-CD1 4Å; K176-F189 HydrophobicContact CG-CE1 3.83Å
177I72.1Confident74.8Confident105 Ų10576.1 Ų76.154%0.53845%0.447SS..SBendtrans-87.4-27.2178.7-59.8178.9000112.1K188 R190I177-K188 WeakPolarHBondContact CB-O 3.35Å; I177-K188 HydrophobicContact CD1-CB 4.04Å; I177-K188 WeakPolarHBondContact CG1-O 3.33Å; I177-K188 PolarHBondContact N-O 3.37Å; I177-R190 HydrophobicContact CD1-CB 3.8Å; I177-R190 HydrophobicContact CG1-CB 3.69Å
178D65.6Low73.7Confident76 Ų7677.2 Ų77.241%0.40645%0.45SS..  trans-142117.7-175-175.110.3000111.1N180 S181D178-N180 PolarHBondContact OD1-N 3.16Å; D178-S181 WeakPolarHBondContact OD2-CB 3.27Å; D178-S181 PolarHBondContact OD2-N 3.34Å; D178-S181 PolarHBondContact OD2-OG 2.86Å
179E60.1Low72.9Confident185 Ų18578.1 Ų78.186%0.86445%0.45SS*.SBendtrans-82.4-17.2174.6-66.3-171.9163.800112.5
180N54.2Low72.1Confident135 Ų13585.9 Ų85.972%0.72248%0.479SS*.  trans-108.311.3-169.8-71.6-32.3000114.6D178 S182D178-N180 PolarHBondContact OD1-N 3.16Å; N180-S182 VanDerWaalsContact C-N 3.26Å; N180-S182 PolarHBondContact O-N 3.44Å; N180-S182 PolarHBondContact O-OG 3.42Å
181S52.7Low71.6Confident50 Ų5092.6 Ų92.635%0.3551%0.509SS..  trans-66.983.9174.5-99.50000111.4D178 S183D178-S181 WeakPolarHBondContact OD2-CB 3.27Å; D178-S181 PolarHBondContact OD2-N 3.34Å; D178-S181 PolarHBondContact OD2-OG 2.86Å; S181-S183 PolarHBondContact O-N 2.97Å
182S50.7Low71.5Confident123 Ų12389.9 Ų89.986%0.8649%0.492SS*.  trans-83.812.3170.3-57.20000112.2N180N180-S182 VanDerWaalsContact C-N 3.26Å; N180-S182 PolarHBondContact O-N 3.44Å; N180-S182 PolarHBondContact O-OG 3.42Å
183S48.2Very low71.6Confident74 Ų7492.8 Ų92.852%0.51750%0.498SS..SBendtrans-123.141.6-159.735.30000113.1S181 I185S181-S183 PolarHBondContact O-N 2.97Å; S183-I185 WeakPolarHBondContact O-CG1 3.11Å; S183-I185 PolarHBondContact O-N 2.87Å
184G53.7Low71.7Confident88 Ų8892.9 Ų92.991%0.90750%0.5SS*.SBendtrans56.35.316700000117.3
185I52.4Low71.9Confident103 Ų10392.5 Ų92.553%0.52850%0.498SS..PPolyproline II helixtrans-84140.7179.9-71.7161.7000107.9S183 V187S183-I185 WeakPolarHBondContact O-CG1 3.11Å; S183-I185 PolarHBondContact O-N 2.87Å; I185-V187 PolarHBondContact O-N 2.98Å
186P58.2Low72.4Confident108 Ų10889.1 Ų89.170%0.70148%0.48SS*.PPolyproline II helixtrans-54.1128175.7-23.632.1000111.1K188P186-K188 PolarHBondContact O-N 2.94Å; P186-K188 VanDerWaalsContact O-N 3.1Å
187V63.6Low73.3Confident66 Ų6683.5 Ų83.540%0.446%0.456SS..PPolyproline II helixtrans-52.8118.6172.7-178.40000108.2K176 I185 F189K176-V187 HydrophobicContact CD-CG1 4.37Å; K176-V187 HydrophobicContact CG-CG1 4.26Å; I185-V187 PolarHBondContact O-N 2.98Å; V187-F189 HydrophobicContact CB-CE1 4.21Å; V187-F189 HydrophobicContact CB-CE2 4.39Å; V187-F189 HydrophobicContact CB-CZ 3.88Å; V187-F189 HydrophobicContact CG1-CD1 3.99Å; V187-F189 HydrophobicContact CG1-CE1 3.33Å; V187-F189 HydrophobicContact CG1-CE2 4.31Å; V187-F189 HydrophobicContact CG1-CZ 3.54Å
188K75.6Confident74.6Confident153 Ų15378.7 Ų78.767%0.66543%0.431SS*.PPolyproline II helixtrans-87.9129.2173.8-71.3-174.4177.8177.20109.8I177 P186I177-K188 WeakPolarHBondContact CB-O 3.35Å; I177-K188 HydrophobicContact CD1-CB 4.04Å; I177-K188 WeakPolarHBondContact CG1-O 3.33Å; I177-K188 PolarHBondContact N-O 3.37Å; P186-K188 PolarHBondContact O-N 2.94Å; P186-K188 VanDerWaalsContact O-N 3.1Å
189F80.6Confident76.2Confident41 Ų4175.2 Ų75.218%0.1841%0.413CS..BIsolated β-bridgetrans-106.4140.1175.9-54.2-65.5000109.9I174 K176 V187 P192 L235 V237I174-F189 HydrophobicContact CG2-CD1 3.17Å; I174-F189 HydrophobicContact CG2-CE1 3.11Å; I174-F189 HydrophobicContact CG2-CG 4.21Å; I174-F189 HydrophobicContact CG2-CZ 4.15Å; K176-F189 HydrophobicContact CG-CD1 4Å; K176-F189 HydrophobicContact CG-CE1 3.83Å; V187-F189 HydrophobicContact CB-CE1 4.21Å; V187-F189 HydrophobicContact CB-CE2 4.39Å; V187-F189 HydrophobicContact CB-CZ 3.88Å; V187-F189 HydrophobicContact CG1-CD1 3.99Å; V187-F189 HydrophobicContact CG1-CE1 3.33Å; V187-F189 HydrophobicContact CG1-CE2 4.31Å; V187-F189 HydrophobicContact CG1-CZ 3.54Å; F189-P192 HydrophobicContact CB-CB 4.46Å; F189-P192 HydrophobicContact CB-CG 4.07Å; F189-L235 WeakPolarHBondContact CE2-O 3.43Å; F189-L235 HydrophobicContact CZ-CB 4.45Å; F189-L235 HydrophobicContact CZ-CD2 4.44Å; F189-V237 HydrophobicContact CD2-CG1 3.33Å; F189-V237 HydrophobicContact CE2-CG1 3.46Å; F189-V237 VanDerWaalsContact CE2-CG1 3.46Å; F189-V237 HydrophobicContact CG-CG1 4.01Å; F189-V237 HydrophobicContact CZ-CG1 4.21Å
190R80.7Confident77.9Confident163 Ų16366.6 Ų66.662%0.61537%0.373SS*.SBendtrans-97.6100176.7-176.3173.1-178.2174.40.1109.5N175 I177N175-R190 WeakPolarHBondContact CB-O 3.37Å; N175-R190 PolarHBondContact ND2-O 3.37Å; N175-R190 PolarHBondContact O-N 2.89Å; I177-R190 HydrophobicContact CD1-CB 3.8Å; I177-R190 HydrophobicContact CG1-CB 3.69Å
191H87.3Confident79.9Confident164 Ų16460.5 Ų60.576%0.75934%0.341SS*.SBendtrans48.960.7178.1-55.1-69.5000112.8R193H191-R193 PolarHBondContact O-N 3.35Å
192P93.7Very high82Confident24 Ų2458.6 Ų58.616%0.15633%0.327CS..  trans-53.8140.7174.623-30000109.3M173 F189 V237 E240 I241M173-P192 CarbonylContact O-C 3.59Å; M173-P192 VanDerWaalsContact O-CA 3.25Å; M173-P192 WeakPolarHBondContact O-CA 3.44Å; F189-P192 HydrophobicContact CB-CB 4.46Å; F189-P192 HydrophobicContact CB-CG 4.07Å; P192-V237 HydrophobicContact CB-CB 4.47Å; P192-V237 HydrophobicContact CB-CG1 4.32Å; P192-V237 HydrophobicContact CG-CG1 4.14Å; P192-E240 HydrophobicContact CB-CB 4.01Å; P192-E240 HydrophobicContact CG-CB 3.89Å; P192-E240 HydrophobicContact CG-CG 3.91Å; P192-E240 VanDerWaalsContact O-CB 3.29Å; P192-E240 WeakPolarHBondContact O-CB 3.3Å; P192-I241 HydrophobicContact CB-CD1 4.33Å; P192-I241 HydrophobicContact CB-CG1 4.37Å
193R96.5Very high84.1Confident89 Ų8953 Ų5334%0.33629%0.288SS..  trans-156.2118.9176.1-177.3178.5178.791.2-4.4109.2D46 D50 T129 M173 H191D46-R193 PolarHBondContact O-NH2 3.39Å; D50-R193 VanDerWaalsContact CG-NH2 3.34Å; D50-R193 IonicContact OD1-CZ 2.66Å; D50-R193 IonicContact OD1-NE 3.63Å; D50-R193 PolarHBondContact OD1-NE 2.79Å; D50-R193 IonicContact OD1-NH2 3.88Å; D50-R193 PolarHBondContact OD1-NH2 2.82Å; D50-R193 IonicContact OD2-CZ 3.67Å; D50-R193 IonicContact OD2-NE 2.7Å; D50-R193 IonicContact OD2-NH2 3.59Å; D50-R193 PolarHBondContact OD2-NH2 2.9Å; T129-R193 HydrophobicContact CG2-CG 4.38Å; M173-R193 WeakPolarHBondContact CA-O 3.29Å; M173-R193 WeakPolarHBondContact CB-O 3.09Å; M173-R193 PolarHBondContact O-N 2.86Å; H191-R193 PolarHBondContact O-N 3.35Å
194G97.9Very high86.4Confident5 Ų550 Ų505%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-159.1156.3179.900000113.3T129 E240 I241 R242T129-G194 CarbonylContact O-C 3.21Å; T129-G194 VanDerWaalsContact O-C 3.3Å; T129-G194 VanDerWaalsContact O-CA 3.23Å; T129-G194 WeakPolarHBondContact O-CA 3.47Å; G194-E240 PolarHBondContact N-O 3.39Å; G194-E240 VanDerWaalsContact O-O 3.12Å; G194-I241 VanDerWaalsContact O-CA 3.32Å; G194-I241 WeakPolarHBondContact O-CA 3.37Å; G194-R242 PolarHBondContact O-N 2.86Å
195H98.8Very high88.4Confident1 Ų148.7 Ų48.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-150.4111.6168.1-162.9111.5000109.3K45 T129 V130 L131 R242 T244K45-H195 PolarHBondContact NZ-ND1 2.89Å; T129-H195 PolarHBondContact O-N 2.94Å; V130-H195 CarbonylContact C-O 3.59Å; V130-H195 VanDerWaalsContact CA-O 3.24Å; V130-H195 WeakPolarHBondContact CA-O 3.4Å; V130-H195 HydrophobicContact CG1-CB 4.37Å; V130-H195 HydrophobicContact CG2-CB 4.18Å; L131-H195 PolarHBondContact N-O 3.47Å; H195-R242 CarbonylContact C-O 3.51Å; H195-R242 VanDerWaalsContact CA-O 3.31Å; H195-R242 WeakPolarHBondContact CA-O 3.16Å; H195-T244 PolarHBondContact CE1-OG1 3.42Å; H195-T244 WeakPolarHBondContact NE2-CB 3.49Å; H195-T244 PolarHBondContact NE2-OG1 2.98Å
196I98.8Very high90.4Very high1 Ų145 Ų451%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-102.4116-178.3-61.7170000107.9L131 I166 L170 M173 L228 R242 V243 T244L131-I196 CarbonylContact O-C 3.41Å; L131-I196 WeakPolarHBondContact O-CA 3.27Å; I166-I196 HydrophobicContact CD1-CG2 3.97Å; I166-I196 HydrophobicContact CG1-CD1 4.35Å; I166-I196 HydrophobicContact CG1-CG2 4.06Å; I166-I196 HydrophobicContact CG2-CD1 4.25Å; L170-I196 HydrophobicContact CD1-CD1 4.16Å; M173-I196 HydrophobicContact CE-CG1 4.17Å; M173-I196 HydrophobicContact SD-CD1 4.12Å; M173-I196 HydrophobicContact SD-CG1 3.93Å; I196-L228 HydrophobicContact CD1-CD2 3.81Å; I196-L228 HydrophobicContact CG2-CD2 4.28Å; I196-R242 PolarHBondContact N-O 3.42Å; I196-V243 HydrophobicContact CB-CG2 4.5Å; I196-V243 CarbonylContact O-C 3.56Å; I196-V243 VanDerWaalsContact O-CA 3.3Å; I196-V243 WeakPolarHBondContact O-CA 3.46Å; I196-T244 PolarHBondContact O-N 3.24Å
197V98.9Very high92.2Very high0 Ų042.7 Ų42.70%020%0.203CC..EExtended strand (participates in β ladder)trans-99.7121.4175.7-172.60000108.4L131 V132 N133 V199 T244 V246 I279 V283L131-V197 PolarHBondContact O-N 3.27Å; V132-V197 HydrophobicContact CB-CB 4.31Å; V132-V197 HydrophobicContact CG1-CB 4.08Å; V132-V197 HydrophobicContact CG1-CG1 4.25Å; V132-V197 HydrophobicContact CG2-CB 4.15Å; V132-V197 HydrophobicContact CG2-CG2 4.03Å; N133-V197 WeakPolarHBondContact CB-O 3.3Å; N133-V197 PolarHBondContact N-O 3.46Å; V197-V199 HydrophobicContact CG1-CG2 4.23Å; V197-T244 CarbonylContact C-O 3.3Å; V197-T244 WeakPolarHBondContact CA-O 3.34Å; V197-T244 HydrophobicContact CG1-CG2 4.39Å; V197-V246 HydrophobicContact CG1-CG2 3.69Å; V197-I279 HydrophobicContact CG1-CG2 4.09Å; V197-V283 HydrophobicContact CG2-CG2 3.43Å; V197-V283 VanDerWaalsContact CG2-CG2 3.43Å
198C98.6Very high93.6Very high3 Ų341 Ų412%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-104.9106172.6-179.90000109.1S200 T244 V246C198-S200 PolarHBondContact O-N 2.87Å; C198-S200 VanDerWaalsContact O-N 3.14Å; C198-T244 PolarHBondContact N-O 3.07Å; C198-V246 PolarHBondContact O-N 3.27Å
199V98.4Very high94.4Very high4 Ų436 Ų362%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-83.591.1175.1-170.30000109.4I61 M65 V132 N133 N134 V197 K218 P248I61-V199 HydrophobicContact CD1-CG1 3.93Å; M65-V199 HydrophobicContact CE-CG2 4.5Å; V132-V199 HydrophobicContact CG1-CG2 4.33Å; N133-V199 PolarHBondContact O-N 2.7Å; N134-V199 HydrophobicContact CB-CB 4.27Å; N134-V199 HydrophobicContact CB-CG2 3.77Å; V197-V199 HydrophobicContact CG1-CG2 4.23Å; V199-K218 PolarHBondContact O-NZ 3.35Å; V199-P248 HydrophobicContact CG1-CG 4.22Å
200S96.7Very high95Very high3 Ų334.5 Ų34.52%0.02117%0.174CC..  trans-85.3-136.6173.3-174.90000109.8C198 K218 V246C198-S200 PolarHBondContact O-N 2.87Å; C198-S200 VanDerWaalsContact O-N 3.14Å; S200-K218 PolarHBondContact OG-O 3.1Å; S200-V246 CarbonylContact C-O 3.53Å; S200-V246 WeakPolarHBondContact CA-O 3.43Å; S200-V246 PolarHBondContact N-O 3.06Å
201S96.7Very high95.6Very high8 Ų826.7 Ų26.76%0.05615%0.145CC..  trans-164.6159.5178.8177.80000108.3A203 G204S201-A203 PolarHBondContact O-N 3.42Å; S201-A203 VanDerWaalsContact O-N 3.15Å; S201-A203 WeakPolarHBondContact OG-CB 3.07Å; S201-A203 PolarHBondContact OG-N 2.93Å; S201-A203 VanDerWaalsContact OG-N 3.08Å; S201-G204 PolarHBondContact O-N 3.08Å
202I95.5Very high96.1Very high10 Ų1021.1 Ų21.15%0.05113%0.127CC..G310 helixtrans-55.8-27.1163.5-158.565.4000110.9G204 R205 V206 P248 F249 Y291 L299 P300I202-G204 PolarHBondContact O-N 2.89Å; I202-G204 VanDerWaalsContact O-N 3.15Å; I202-R205 PolarHBondContact O-N 2.98Å; I202-V206 HydrophobicContact CG1-CB 4.46Å; I202-V206 HydrophobicContact CG1-CG2 4.47Å; I202-V206 PolarHBondContact O-N 3.01Å; I202-P248 PolarHBondContact N-O 2.93Å; I202-F249 HydrophobicContact CG2-CB 4.49Å; I202-F249 HydrophobicContact CG2-CD2 3.49Å; I202-F249 VanDerWaalsContact CG2-CD2 3.49Å; I202-F249 HydrophobicContact CG2-CE2 4.21Å; I202-F249 HydrophobicContact CG2-CG 4.44Å; I202-Y291 HydrophobicContact CD1-CD1 3.95Å; I202-Y291 HydrophobicContact CD1-CE1 3.52Å; I202-L299 HydrophobicContact CG1-CD1 4.39Å; I202-P300 HydrophobicContact CD1-CG 4.42Å
203A95.6Very high96.2Very high5 Ų520.2 Ų20.24%0.04112%0.121CC..G310 helixtrans-60.3-19.2175.500000113.6S201 R205 V206 L208 Y214 C215S201-A203 PolarHBondContact O-N 3.42Å; S201-A203 VanDerWaalsContact O-N 3.15Å; S201-A203 WeakPolarHBondContact OG-CB 3.07Å; S201-A203 PolarHBondContact OG-N 2.93Å; S201-A203 VanDerWaalsContact OG-N 3.08Å; A203-R205 VanDerWaalsContact C-N 3.27Å; A203-V206 WeakPolarHBondContact CA-O 3.41Å; A203-L208 HydrophobicContact CB-CD2 4.17Å; A203-Y214 HydrophobicContact CB-CD1 3.93Å; A203-Y214 HydrophobicContact CB-CE1 3.64Å; A203-C215 WeakPolarHBondContact O-CA 3.46Å; A203-C215 WeakPolarHBondContact O-CB 3.4Å
204G96.7Very high96.3Very high10 Ų1016.5 Ų16.510%0.10311%0.107CC..G310 helixtrans-78.6-6.4171.400000114.4S201 I202 A219S201-G204 PolarHBondContact O-N 3.08Å; I202-G204 PolarHBondContact O-N 2.89Å; I202-G204 VanDerWaalsContact O-N 3.15Å; G204-A219 WeakPolarHBondContact O-CA 3.24Å; G204-A219 WeakPolarHBondContact O-CB 3.27Å
205R96Very high96.3Very high62 Ų6216.8 Ų16.823%0.23411%0.108CC..THydrogen-bonded Turntrans-121.1-42.8174.3-68.9-170.5164.1119.510.1112.2I202 A203 L222 E226 L247 Y291 P300 Q303I202-R205 PolarHBondContact O-N 2.98Å; A203-R205 VanDerWaalsContact C-N 3.27Å; R205-L222 HydrophobicContact CG-CD2 3.56Å; R205-E226 IonicContact NH2-OE1 3.4Å; R205-E226 PolarHBondContact NH2-OE1 3.4Å; R205-E226 VanDerWaalsContact NH2-OE1 3.15Å; R205-L247 HydrophobicContact CG-CD2 4.14Å; R205-Y291 WeakPolarHBondContact CD-OH 3.43Å; R205-Y291 PolarHBondContact NH1-OH 3.39Å; R205-P300 HydrophobicContact CB-CB 4.22Å; R205-P300 HydrophobicContact CB-CG 3.78Å; R205-P300 HydrophobicContact CG-CG 4.39Å; R205-Q303 PolarHBondContact O-OE1 2.95Å
206V94.6Very high96.3Very high26 Ų2619 Ų1916%0.15813%0.126CC..SBendtrans-119.8106.3-177-178.40000107.9I202 A203 L299 P300 Y315I202-V206 HydrophobicContact CG1-CB 4.46Å; I202-V206 HydrophobicContact CG1-CG2 4.47Å; I202-V206 PolarHBondContact O-N 3.01Å; A203-V206 WeakPolarHBondContact CA-O 3.41Å; V206-L299 HydrophobicContact CG2-CB 3.81Å; V206-P300 HydrophobicContact CG2-CB 4.49Å; V206-P300 HydrophobicContact CG2-CG 4Å; V206-Y315 VanDerWaalsContact CG1-OH 3.27Å; V206-Y315 WeakPolarHBondContact CG1-OH 3.48Å
207P94.8Very high96.3Very high58 Ų5818.9 Ų18.938%0.37713%0.126SC..  trans-71.9168.3-172.129.9-36.4000112.3C215 Y315P207-C215 HydrophobicContact CB-CB 4.24Å; P207-Y315 VanDerWaalsContact CD-OH 3.27Å; P207-Y315 WeakPolarHBondContact CD-OH 3.47Å; P207-Y315 WeakPolarHBondContact O-CE1 3.18Å; P207-Y315 VanDerWaalsContact O-CZ 3.29Å; P207-Y315 PolarHBondContact O-OH 3.18Å
208L92.4Very high96.2Very high31 Ų3119.2 Ų19.216%0.16213%0.127CC..  trans-129.5149.116767.3124.6000110.9M138 A203 G211 C215M138-L208 HydrophobicContact CE-CD1 4.02Å; A203-L208 HydrophobicContact CB-CD2 4.17Å; L208-G211 PolarHBondContact O-N 3.05Å; L208-C215 PolarHBondContact N-SG 3.19Å; L208-C215 VanDerWaalsContact N-SG 3.42Å
209A92.8Very high96.2Very high49 Ų4920.8 Ų20.841%0.40514%0.141SC..THydrogen-bonded Turntrans-62137.8173.300000110.9F142 G211 V324F142-A209 HydrophobicContact CE1-CB 4.42Å; A209-G211 PolarHBondContact O-N 2.78Å; A209-V324 WeakPolarHBondContact O-CG2 3.36Å
210G93.2Very high96.3Very high8 Ų822.3 Ų22.38%0.08215%0.154CC..THydrogen-bonded Turntrans65.920.6-17500000115.2A140 D141A140-G210 CarbonylContact C-O 3.54Å; A140-G210 WeakPolarHBondContact CA-O 3.44Å; D141-G210 CarbonylContact C-O 3.58Å; D141-G210 PolarHBondContact N-O 3.5Å; D141-G210 CarbonylContact O-C 3.56Å; D141-G210 WeakPolarHBondContact O-CA 3.46Å; D141-G210 VanDerWaalsContact O-O 3.04Å
211G94.3Very high96.4Very high0 Ų022.2 Ų22.20%015%0.153CC..BIsolated β-bridgetrans-124.331.7167.900000112L208 A209 D213 Y214 C215L208-G211 PolarHBondContact O-N 3.05Å; A209-G211 PolarHBondContact O-N 2.78Å; G211-D213 PolarHBondContact O-N 2.9Å; G211-Y214 PolarHBondContact O-N 2.78Å; G211-C215 VanDerWaalsContact O-CB 3.27Å; G211-C215 WeakPolarHBondContact O-CB 3.13Å; G211-C215 PolarHBondContact O-N 3.43Å; G211-C215 PolarHBondContact O-SG 2.89Å
212A96.6Very high96.4Very high46 Ų4622.1 Ų22.138%0.3815%0.152SC..Hα-helixtrans-59.2-51.1-169.200000112.9A216A212-A216 WeakPolarHBondContact O-CB 3.29Å; A212-A216 PolarHBondContact O-N 3.42Å
213D97.6Very high96.5Very high6 Ų626.8 Ų26.83%0.03218%0.177CC..Hα-helixtrans-61.2-42.3175.165.9-43.7000112.1N139 L146 I151 C154 G211 S217N139-D213 PolarHBondContact ND2-OD2 2.9Å; L146-D213 HydrophobicContact CD1-CB 4.06Å; I151-D213 HydrophobicContact CG1-CB 4.45Å; I151-D213 HydrophobicContact CG2-CB 4.47Å; C154-D213 PolarHBondContact SG-OD2 3.1Å; G211-D213 PolarHBondContact O-N 2.9Å; D213-S217 VanDerWaalsContact O-CB 3.29Å; D213-S217 WeakPolarHBondContact O-CB 3.14Å; D213-S217 PolarHBondContact O-N 2.85Å; D213-S217 PolarHBondContact O-OG 3.42Å
214Y97.6Very high96.7Very high10 Ų1028 Ų284%0.03918%0.181CC..Hα-helixtrans-67.6-47.6178.3179.5-100.4000112.6V137 M138 A203 G211 S217 K218 M255V137-Y214 VanDerWaalsContact O-CD2 3.25Å; V137-Y214 WeakPolarHBondContact O-CD2 3.27Å; M138-Y214 HydrophobicContact CB-CD2 3.56Å; M138-Y214 HydrophobicContact CB-CE2 3.94Å; M138-Y214 HydrophobicContact CB-CG 4.04Å; M138-Y214 HydrophobicContact CG-CD1 4.36Å; M138-Y214 HydrophobicContact CG-CD2 3.85Å; M138-Y214 HydrophobicContact CG-CE2 4.46Å; M138-Y214 HydrophobicContact CG-CG 3.77Å; M138-Y214 HydrophobicContact SD-CD1 4.06Å; M138-Y214 HydrophobicContact SD-CD2 4.4Å; M138-Y214 HydrophobicContact SD-CE1 4.33Å; M138-Y214 HydrophobicContact SD-CG 4.08Å; A203-Y214 HydrophobicContact CB-CD1 3.93Å; A203-Y214 HydrophobicContact CB-CE1 3.64Å; G211-Y214 PolarHBondContact O-N 2.78Å; Y214-S217 WeakPolarHBondContact CA-OG 3.39Å; Y214-S217 PolarHBondContact O-N 2.77Å; Y214-S217 PolarHBondContact O-OG 3.31Å; Y214-K218 HydrophobicContact CD1-CG 4.33Å; Y214-K218 HydrophobicContact CD2-CG 4.25Å; Y214-K218 HydrophobicContact CE1-CG 3.94Å; Y214-K218 HydrophobicContact CE2-CD 4.34Å; Y214-K218 HydrophobicContact CE2-CG 3.89Å; Y214-K218 HydrophobicContact CG-CG 4.49Å; Y214-K218 WeakPolarHBondContact O-CB 3.29Å; Y214-K218 VanDerWaalsContact O-CG 3.3Å; Y214-K218 WeakPolarHBondContact O-CG 3.37Å; Y214-K218 PolarHBondContact O-N 3.49Å; Y214-M255 HydrophobicContact CE2-SD 4.45Å
215C97.7Very high96.8Very high12 Ų1227.7 Ų27.78%0.08118%0.177CC..Hα-helixtrans-63.6-44.5178.3-63.80000110.1A203 P207 L208 G211 K218 A219A203-C215 WeakPolarHBondContact O-CA 3.46Å; A203-C215 WeakPolarHBondContact O-CB 3.4Å; P207-C215 HydrophobicContact CB-CB 4.24Å; L208-C215 PolarHBondContact N-SG 3.19Å; L208-C215 VanDerWaalsContact N-SG 3.42Å; G211-C215 VanDerWaalsContact O-CB 3.27Å; G211-C215 WeakPolarHBondContact O-CB 3.13Å; G211-C215 PolarHBondContact O-N 3.43Å; G211-C215 PolarHBondContact O-SG 2.89Å; C215-K218 PolarHBondContact O-N 2.94Å; C215-A219 VanDerWaalsContact O-CB 3.28Å; C215-A219 WeakPolarHBondContact O-CB 3.37Å; C215-A219 PolarHBondContact O-N 2.92Å
216A98.4Very high96.9Very high46 Ų4627.5 Ų27.538%0.3818%0.179SC..Hα-helixtrans-61.1-46.8176.500000111.7F155 A212 A219 A220F155-A216 HydrophobicContact CE2-CB 4.36Å; F155-A216 HydrophobicContact CZ-CB 3.87Å; A212-A216 WeakPolarHBondContact O-CB 3.29Å; A212-A216 PolarHBondContact O-N 3.42Å; A216-A219 PolarHBondContact O-N 3.39Å; A216-A220 WeakPolarHBondContact O-CB 3.29Å; A216-A220 PolarHBondContact O-N 3.04Å
217S98.7Very high97Very high0 Ų028.9 Ų28.90%019%0.19CC..Hα-helixtrans-65-40.617862.20000112.7N158 V159 D213 Y214 A220 A221N158-S217 PolarHBondContact ND2-OG 2.87Å; V159-S217 WeakPolarHBondContact CG2-O 3.47Å; D213-S217 VanDerWaalsContact O-CB 3.29Å; D213-S217 WeakPolarHBondContact O-CB 3.14Å; D213-S217 PolarHBondContact O-N 2.85Å; D213-S217 PolarHBondContact O-OG 3.42Å; Y214-S217 WeakPolarHBondContact CA-OG 3.39Å; Y214-S217 PolarHBondContact O-N 2.77Å; Y214-S217 PolarHBondContact O-OG 3.31Å; S217-A220 PolarHBondContact O-N 3.25Å; S217-A221 WeakPolarHBondContact O-CB 3.47Å; S217-A221 PolarHBondContact O-N 3.25Å
218K98.5Very high97.2Very high6 Ų626.3 Ų26.33%0.02617%0.172CC..Hα-helixtrans-69.3-33.3176.4-69-61.3-174.4-1760112.8V199 S200 Y214 C215 L222V199-K218 PolarHBondContact O-NZ 3.35Å; S200-K218 PolarHBondContact OG-O 3.1Å; Y214-K218 HydrophobicContact CD1-CG 4.33Å; Y214-K218 HydrophobicContact CD2-CG 4.25Å; Y214-K218 HydrophobicContact CE1-CG 3.94Å; Y214-K218 HydrophobicContact CE2-CD 4.34Å; Y214-K218 HydrophobicContact CE2-CG 3.89Å; Y214-K218 HydrophobicContact CG-CG 4.49Å; Y214-K218 WeakPolarHBondContact O-CB 3.29Å; Y214-K218 VanDerWaalsContact O-CG 3.3Å; Y214-K218 WeakPolarHBondContact O-CG 3.37Å; Y214-K218 PolarHBondContact O-N 3.49Å; C215-K218 PolarHBondContact O-N 2.94Å; K218-L222 VanDerWaalsContact O-CB 3.28Å; K218-L222 WeakPolarHBondContact O-CB 3.28Å; K218-L222 PolarHBondContact O-N 3.15Å
219A98.6Very high97.5Very high36 Ų3625.9 Ų25.930%0.29817%0.17SC..Hα-helixtrans-67.5-44.2171.800000111.4G204 C215 A216 L222 L223G204-A219 WeakPolarHBondContact O-CA 3.24Å; G204-A219 WeakPolarHBondContact O-CB 3.27Å; C215-A219 VanDerWaalsContact O-CB 3.28Å; C215-A219 WeakPolarHBondContact O-CB 3.37Å; C215-A219 PolarHBondContact O-N 2.92Å; A216-A219 PolarHBondContact O-N 3.39Å; A219-L222 PolarHBondContact O-N 2.8Å; A219-L223 PolarHBondContact O-N 3.26Å
220A98.7Very high97.7Very high37 Ų3729 Ų2931%0.30618%0.179SC..Hα-helixtrans-59.7-48.6175.900000111.6V159 A216 S217 L222 L223 F224V159-A220 HydrophobicContact CG1-CB 4.17Å; V159-A220 HydrophobicContact CG2-CB 4.01Å; A216-A220 WeakPolarHBondContact O-CB 3.29Å; A216-A220 PolarHBondContact O-N 3.04Å; S217-A220 PolarHBondContact O-N 3.25Å; A220-L222 VanDerWaalsContact C-N 3.29Å; A220-L222 PolarHBondContact O-N 3.38Å; A220-L223 PolarHBondContact O-N 3.49Å; A220-F224 WeakPolarHBondContact O-CB 3.3Å; A220-F224 PolarHBondContact O-N 3.27Å
221A98.6Very high97.9Very high0 Ų034.3 Ų34.30%020%0.202CC..Hα-helixtrans-60.5-38.8176.500000112.5S217 S225S217-A221 WeakPolarHBondContact O-CB 3.47Å; S217-A221 PolarHBondContact O-N 3.25Å; A221-S225 PolarHBondContact O-N 3.49Å; A221-S225 VanDerWaalsContact O-N 3.08Å; A221-S225 PolarHBondContact O-OG 2.73Å
222L98.2Very high98Very high6 Ų634.4 Ų34.43%0.03120%0.202CC..Hα-helixtrans-66.2-52.2179-177.363.8000111.6R205 K218 A219 A220 S225 E226 R245 L247R205-L222 HydrophobicContact CG-CD2 3.56Å; K218-L222 VanDerWaalsContact O-CB 3.28Å; K218-L222 WeakPolarHBondContact O-CB 3.28Å; K218-L222 PolarHBondContact O-N 3.15Å; A219-L222 PolarHBondContact O-N 2.8Å; A220-L222 VanDerWaalsContact C-N 3.29Å; A220-L222 PolarHBondContact O-N 3.38Å; L222-S225 PolarHBondContact O-N 3.13Å; L222-S225 PolarHBondContact O-OG 3.39Å; L222-E226 PolarHBondContact O-N 2.78Å; L222-R245 HydrophobicContact CD1-CB 3.93Å; L222-R245 HydrophobicContact CD1-CG 3.9Å; L222-L247 HydrophobicContact CD1-CD1 4.45Å; L222-L247 HydrophobicContact CD2-CD2 4.18Å
223L98.1Very high98Very high109 Ų10936.9 Ų36.957%0.57121%0.209SC*.Hα-helixtrans-68.7-36.1-179.7-171.161.6000111.8A219 A220 S225 E226 S227A219-L223 PolarHBondContact O-N 3.26Å; A220-L223 PolarHBondContact O-N 3.49Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.33Å; L223-E226 HydrophobicContact CD1-CB 4.42Å; L223-E226 WeakPolarHBondContact O-CB 3.49Å; L223-E226 PolarHBondContact O-N 2.93Å; L223-S227 PolarHBondContact O-N 3.02Å; L223-S227 PolarHBondContact O-OG 2.86Å
224F98.5Very high97.8Very high31 Ų3145.4 Ų45.414%0.13625%0.245CC..Hα-helixtrans-55-45.1171.1165.9-128.7000111.8H162 F163 I166 A220 E226 S227 L228H162-F224 HydrophobicContact CB-CD1 4.24Å; H162-F224 HydrophobicContact CB-CE1 3.89Å; F163-F224 HydrophobicContact CD1-CD2 4.14Å; F163-F224 HydrophobicContact CD1-CE1 4.26Å; F163-F224 AromaticContact CD1-CE2 3.6Å; F163-F224 HydrophobicContact CD1-CE2 3.6Å; F163-F224 AromaticContact CD1-CZ 3.66Å; F163-F224 HydrophobicContact CD1-CZ 3.66Å; F163-F224 HydrophobicContact CD2-CD1 4.31Å; F163-F224 HydrophobicContact CD2-CE1 4.21Å; F163-F224 HydrophobicContact CD2-CZ 4.42Å; F163-F224 AromaticContact CE1-CD2 3.43Å; F163-F224 HydrophobicContact CE1-CD2 3.43Å; F163-F224 VanDerWaalsContact CE1-CD2 3.43Å; F163-F224 HydrophobicContact CE1-CE1 4.42Å; F163-F224 AromaticContact CE1-CE2 3.3Å; F163-F224 HydrophobicContact CE1-CE2 3.3Å; F163-F224 HydrophobicContact CE1-CG 4.09Å; F163-F224 AromaticContact CE1-CZ 3.84Å; F163-F224 HydrophobicContact CE1-CZ 3.84Å; F163-F224 HydrophobicContact CE2-CB 4.42Å; F163-F224 HydrophobicContact CE2-CD1 4.06Å; F163-F224 HydrophobicContact CE2-CD2 4.13Å; F163-F224 HydrophobicContact CE2-CE1 4.36Å; F163-F224 HydrophobicContact CE2-CE2 4.45Å; F163-F224 AromaticContact CE2-CG 3.93Å; F163-F224 HydrophobicContact CE2-CG 3.93Å; F163-F224 HydrophobicContact CG-CE1 4.16Å; F163-F224 HydrophobicContact CG-CE2 4.31Å; F163-F224 AromaticContact CG-CZ 3.98Å; F163-F224 HydrophobicContact CG-CZ 3.98Å; F163-F224 HydrophobicContact CZ-CB 4.19Å; F163-F224 HydrophobicContact CZ-CD1 4.19Å; F163-F224 AromaticContact CZ-CD2 3.42Å; F163-F224 HydrophobicContact CZ-CD2 3.42Å; F163-F224 VanDerWaalsContact CZ-CD2 3.42Å; F163-F224 HydrophobicContact CZ-CE1 4.46Å; F163-F224 AromaticContact CZ-CE2 3.78Å; F163-F224 HydrophobicContact CZ-CE2 3.78Å; F163-F224 AromaticContact CZ-CG 3.66Å; F163-F224 HydrophobicContact CZ-CG 3.66Å; F163-F224 HydrophobicContact CZ-CZ 4.29Å; I166-F224 HydrophobicContact CD1-CE1 3.5Å; I166-F224 VanDerWaalsContact CD1-CE1 3.5Å; I166-F224 HydrophobicContact CD1-CZ 3.71Å; A220-F224 WeakPolarHBondContact O-CB 3.3Å; A220-F224 PolarHBondContact O-N 3.27Å; F224-E226 PolarHBondContact O-N 3.32Å; F224-S227 PolarHBondContact O-N 2.87Å; F224-L228 PolarHBondContact O-N 3.06Å
225S98.3Very high97.5Very high3 Ų348.4 Ų48.42%0.02126%0.262CS..Hα-helixtrans-67.2-24.5177.969.20000113.8A221 L222 L223 E229 R245A221-S225 PolarHBondContact O-N 3.49Å; A221-S225 VanDerWaalsContact O-N 3.08Å; A221-S225 PolarHBondContact O-OG 2.73Å; L222-S225 PolarHBondContact O-N 3.13Å; L222-S225 PolarHBondContact O-OG 3.39Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.33Å; S225-E229 PolarHBondContact O-N 3.09Å; S225-R245 VanDerWaalsContact OG-CD 3.23Å; S225-R245 WeakPolarHBondContact OG-CD 3.14Å; S225-R245 WeakPolarHBondContact OG-CG 3.01Å
226E98Very high97.3Very high58 Ų5850.4 Ų50.427%0.27128%0.284SS..Hα-helixtrans-72.6-43171.3-65.3-179-169.100111.1R205 L222 L223 F224 L228 E229 L230 R245R205-E226 IonicContact NH2-OE1 3.4Å; R205-E226 PolarHBondContact NH2-OE1 3.4Å; R205-E226 VanDerWaalsContact NH2-OE1 3.15Å; L222-E226 PolarHBondContact O-N 2.78Å; L223-E226 HydrophobicContact CD1-CB 4.42Å; L223-E226 WeakPolarHBondContact O-CB 3.49Å; L223-E226 PolarHBondContact O-N 2.93Å; F224-E226 PolarHBondContact O-N 3.32Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.87Å; E226-E229 WeakPolarHBondContact O-CB 3.2Å; E226-E229 PolarHBondContact O-N 3.35Å; E226-L230 WeakPolarHBondContact O-CG 3.37Å; E226-L230 PolarHBondContact O-N 3.31Å; E226-L230 VanDerWaalsContact O-N 3.14Å; E226-R245 IonicContact OE1-CZ 2.73Å; E226-R245 IonicContact OE1-NH1 3.46Å; E226-R245 PolarHBondContact OE1-NH1 3.21Å
227S98.5Very high97.1Very high55 Ų5548.3 Ų48.339%0.38527%0.267SS..Hα-helixtrans-59.8-43.4173.1-61.30000111.9L223 F224 E229 L230 E231L223-S227 PolarHBondContact O-N 3.02Å; L223-S227 PolarHBondContact O-OG 2.86Å; F224-S227 PolarHBondContact O-N 2.87Å; S227-E229 VanDerWaalsContact C-N 3.32Å; S227-E229 PolarHBondContact O-N 2.9Å; S227-L230 WeakPolarHBondContact O-CB 3.18Å; S227-L230 PolarHBondContact O-N 2.94Å; S227-L230 VanDerWaalsContact O-N 3.15Å; S227-E231 PolarHBondContact O-N 3.4Å
228L98.4Very high97Very high3 Ų349.4 Ų49.42%0.01627%0.272CS..Hα-helixtrans-59.4-42.6176.3176.863000112.1I166 L170 I196 F224 E226 L230 E231 L232 V243I166-L228 HydrophobicContact CD1-CD2 3.78Å; I166-L228 HydrophobicContact CG1-CD2 4.43Å; I166-L228 HydrophobicContact CG2-CD1 4.15Å; I166-L228 HydrophobicContact CG2-CD2 4.01Å; L170-L228 HydrophobicContact CD2-CD1 4.08Å; I196-L228 HydrophobicContact CD1-CD2 3.81Å; I196-L228 HydrophobicContact CG2-CD2 4.28Å; F224-L228 PolarHBondContact O-N 3.06Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-L228 PolarHBondContact O-N 2.87Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.29Å; L228-E231 PolarHBondContact O-N 3.43Å; L228-L232 HydrophobicContact CD1-CD1 4.44Å; L228-L232 HydrophobicContact CD1-CG 4.38Å; L228-L232 HydrophobicContact CG-CD1 4.23Å; L228-L232 VanDerWaalsContact O-CG 3.3Å; L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 2.91Å; L228-V243 HydrophobicContact CD2-CG2 4.06Å; L228-V243 HydrophobicContact CG-CG2 4.13Å
229E97.7Very high96.8Very high23 Ų2353.9 Ų53.911%0.10730%0.297CS..Hα-helixtrans-60.3-39.6176.5-177.7168.4-14200111.8S225 E226 S227 L232 L233 V243 R245 R288S225-E229 PolarHBondContact O-N 3.09Å; E226-E229 WeakPolarHBondContact O-CB 3.2Å; E226-E229 PolarHBondContact O-N 3.35Å; S227-E229 VanDerWaalsContact C-N 3.32Å; S227-E229 PolarHBondContact O-N 2.9Å; E229-L232 PolarHBondContact O-N 3.46Å; E229-L233 WeakPolarHBondContact O-CB 3.17Å; E229-L233 PolarHBondContact O-N 2.93Å; E229-V243 HydrophobicContact CB-CB 4.36Å; E229-V243 HydrophobicContact CB-CG2 4.35Å; E229-R245 IonicContact OE2-CZ 2.65Å; E229-R245 IonicContact OE2-NE 2.89Å; E229-R245 IonicContact OE2-NH2 3.59Å; E229-R245 PolarHBondContact OE2-NH2 3.39Å; E229-R288 WeakPolarHBondContact OE1-CD 3.36Å; E229-R288 WeakPolarHBondContact OE1-CG 3.3Å; E229-R288 IonicContact OE1-CZ 2.83Å; E229-R288 IonicContact OE1-NE 3.54Å; E229-R288 IonicContact OE1-NH1 2.8Å; E229-R288 PolarHBondContact OE1-NH1 3.02Å
230L98Very high96.6Very high115 Ų11556.4 Ų56.460%0.60230%0.303SS*.Hα-helixtrans-69.8-35.7174.9-64.9175.9000112.9E226 S227 L228 L233 K234E226-L230 WeakPolarHBondContact O-CG 3.37Å; E226-L230 PolarHBondContact O-N 3.31Å; E226-L230 VanDerWaalsContact O-N 3.14Å; S227-L230 WeakPolarHBondContact O-CB 3.18Å; S227-L230 PolarHBondContact O-N 2.94Å; S227-L230 VanDerWaalsContact O-N 3.15Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.29Å; L230-L233 PolarHBondContact O-N 3Å; L230-K234 WeakPolarHBondContact O-CB 3.32Å; L230-K234 PolarHBondContact O-N 2.99Å
231E97.2Very high96.6Very high119 Ų11954.7 Ų54.756%0.55629%0.288SS*.Hα-helixtrans-64.6-42.7173.8-73.4179.7-149.300111.6S227 L228 L233 K234 L235S227-E231 PolarHBondContact O-N 3.4Å; L228-E231 PolarHBondContact O-N 3.43Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 2.87Å; E231-K234 WeakPolarHBondContact O-CB 3.35Å; E231-K234 PolarHBondContact O-N 3.5Å; E231-L235 WeakPolarHBondContact O-CG 3.37Å; E231-L235 PolarHBondContact O-N 3Å
232L96.5Very high96.6Very high2 Ų257 Ų571%0.0130%0.297CS..Hα-helixtrans-64.6-38.7175.8-65170.2000111.9L170 L228 E229 K234 L235 G236 V237 D238 I241 V243L170-L232 HydrophobicContact CD1-CD2 3.98Å; L228-L232 HydrophobicContact CD1-CD1 4.44Å; L228-L232 HydrophobicContact CD1-CG 4.38Å; L228-L232 HydrophobicContact CG-CD1 4.23Å; L228-L232 VanDerWaalsContact O-CG 3.3Å; L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 2.91Å; E229-L232 PolarHBondContact O-N 3.46Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-L235 PolarHBondContact O-N 2.93Å; L232-G236 PolarHBondContact O-N 2.73Å; L232-V237 HydrophobicContact CB-CG2 4.38Å; L232-V237 HydrophobicContact CD2-CG2 3.9Å; L232-V237 PolarHBondContact O-N 2.79Å; L232-V237 VanDerWaalsContact O-N 3.08Å; L232-D238 HydrophobicContact CB-CB 4.17Å; L232-D238 PolarHBondContact O-N 2.97Å; L232-I241 HydrophobicContact CD1-CB 4.21Å; L232-I241 HydrophobicContact CD1-CG2 3.7Å; L232-I241 HydrophobicContact CD2-CB 4.19Å; L232-I241 HydrophobicContact CD2-CD1 4.31Å; L232-I241 HydrophobicContact CD2-CG2 3.98Å; L232-I241 HydrophobicContact CG-CG2 4.49Å; L232-V243 HydrophobicContact CD1-CG2 3.69Å
233L95.4Very high96.6Very high98 Ų9856.8 Ų56.851%0.51330%0.296SS..Hα-helixtrans-62.9-42.5172.917765.3000111.1E229 L230 E231 L235 G236 D238E229-L233 WeakPolarHBondContact O-CB 3.17Å; E229-L233 PolarHBondContact O-N 2.93Å; L230-L233 PolarHBondContact O-N 3Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 2.87Å; L233-L235 VanDerWaalsContact C-N 3.26Å; L233-L235 PolarHBondContact O-N 3.02Å; L233-G236 PolarHBondContact O-N 2.91Å; L233-D238 HydrophobicContact CB-CB 4.28Å; L233-D238 WeakPolarHBondContact CD1-OD1 3.27Å
234K94Very high96.6Very high184 Ų18451.6 Ų51.680%0.827%0.269SS*.Hα-helixtrans-63.6-33.1176.8-178.760.7176.9-178.30112.3L230 E231 L232 G236L230-K234 WeakPolarHBondContact O-CB 3.32Å; L230-K234 PolarHBondContact O-N 2.99Å; E231-K234 WeakPolarHBondContact O-CB 3.35Å; E231-K234 PolarHBondContact O-N 3.5Å; L232-K234 VanDerWaalsContact C-N 3.35Å; K234-G236 VanDerWaalsContact C-N 3.31Å
235L91.8Very high96.6Very high74 Ų7451.4 Ų51.439%0.38727%0.267SS..Hα-helixtrans-77.9-13.5173.7-69.6175.2000113.3I174 F189 E231 L232 L233 V237I174-L235 HydrophobicContact CD1-CD1 4.16Å; F189-L235 WeakPolarHBondContact CE2-O 3.43Å; F189-L235 HydrophobicContact CZ-CB 4.45Å; F189-L235 HydrophobicContact CZ-CD2 4.44Å; E231-L235 WeakPolarHBondContact O-CG 3.37Å; E231-L235 PolarHBondContact O-N 3Å; L232-L235 PolarHBondContact O-N 2.93Å; L233-L235 VanDerWaalsContact C-N 3.26Å; L233-L235 PolarHBondContact O-N 3.02Å; L235-V237 HydrophobicContact CB-CG2 3.95Å
236G93Very high96.6Very high54 Ų5451.2 Ų51.256%0.55727%0.266SS*.THydrogen-bonded Turntrans71.330.5-177.600000113.7L232 L233 K234L232-G236 PolarHBondContact O-N 2.73Å; L233-G236 PolarHBondContact O-N 2.91Å; K234-G236 VanDerWaalsContact C-N 3.31Å
237V95.1Very high96.6Very high1 Ų148.6 Ų48.61%0.00625%0.254CS..  trans-12412.9179.5-60.90000112.7F189 P192 L232 L235 D239 E240 I241F189-V237 HydrophobicContact CD2-CG1 3.33Å; F189-V237 HydrophobicContact CE2-CG1 3.46Å; F189-V237 VanDerWaalsContact CE2-CG1 3.46Å; F189-V237 HydrophobicContact CG-CG1 4.01Å; F189-V237 HydrophobicContact CZ-CG1 4.21Å; P192-V237 HydrophobicContact CB-CB 4.47Å; P192-V237 HydrophobicContact CB-CG1 4.32Å; P192-V237 HydrophobicContact CG-CG1 4.14Å; L232-V237 HydrophobicContact CB-CG2 4.38Å; L232-V237 HydrophobicContact CD2-CG2 3.9Å; L232-V237 PolarHBondContact O-N 2.79Å; L232-V237 VanDerWaalsContact O-N 3.08Å; L235-V237 HydrophobicContact CB-CG2 3.95Å; V237-D239 PolarHBondContact O-N 3.4Å; V237-E240 WeakPolarHBondContact CA-OE2 3.46Å; V237-E240 PolarHBondContact O-N 2.59Å; V237-I241 HydrophobicContact CB-CD1 4.44Å; V237-I241 HydrophobicContact CG2-CD1 4.05Å; V237-I241 HydrophobicContact CG2-CG1 4.5Å; V237-I241 PolarHBondContact O-N 2.87Å
238D95.1Very high96.5Very high23 Ų2346.3 Ų46.312%0.12324%0.238CC..THydrogen-bonded Turntrans-71.5-16.1-176.971.9-68000113.2L232 L233 R242 R288L232-D238 HydrophobicContact CB-CB 4.17Å; L232-D238 PolarHBondContact O-N 2.97Å; L233-D238 HydrophobicContact CB-CB 4.28Å; L233-D238 WeakPolarHBondContact CD1-OD1 3.27Å; D238-R242 WeakPolarHBondContact O-CD 3.29Å; D238-R242 PolarHBondContact O-NE 3.05Å; D238-R242 VanDerWaalsContact O-NE 3.13Å; D238-R288 IonicContact OD2-NH2 3.03Å; D238-R288 PolarHBondContact OD2-NH2 3.35Å
239D94.2Very high96.2Very high101 Ų10147.7 Ų47.754%0.5424%0.243SC..THydrogen-bonded Turntrans-77.3-28.8171.8-90.5-37.2000112.6V237 R242V237-D239 PolarHBondContact O-N 3.4Å; D239-R242 VanDerWaalsContact O-CZ 3.22Å; D239-R242 PolarHBondContact O-NE 2.9Å; D239-R242 PolarHBondContact O-NH2 3.26Å; D239-R242 IonicContact OD1-CZ 3.29Å; D239-R242 IonicContact OD1-NH2 2.86Å; D239-R242 PolarHBondContact OD1-NH2 2.87Å
240E96.4Very high95.9Very high89 Ų8946.9 Ų46.942%0.41624%0.24SC..THydrogen-bonded Turntrans-98.4-27.6179.9-61.186.4173.800113.7P192 G194 V237P192-E240 HydrophobicContact CB-CB 4.01Å; P192-E240 HydrophobicContact CG-CB 3.89Å; P192-E240 HydrophobicContact CG-CG 3.91Å; P192-E240 VanDerWaalsContact O-CB 3.29Å; P192-E240 WeakPolarHBondContact O-CB 3.3Å; G194-E240 PolarHBondContact N-O 3.39Å; G194-E240 VanDerWaalsContact O-O 3.12Å; V237-E240 WeakPolarHBondContact CA-OE2 3.46Å; V237-E240 PolarHBondContact O-N 2.59Å
241I97.6Very high95.6Very high1 Ų141.8 Ų41.81%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-117.3100.9177.3-53.1-179.7000108.6L170 M173 I174 P192 G194 L232 V237L170-I241 HydrophobicContact CD1-CD1 4.2Å; L170-I241 HydrophobicContact CD1-CG2 4.17Å; M173-I241 HydrophobicContact CB-CD1 3.91Å; M173-I241 HydrophobicContact CB-CG1 4.43Å; M173-I241 HydrophobicContact SD-CG2 4.47Å; I174-I241 HydrophobicContact CB-CD1 4.34Å; I174-I241 HydrophobicContact CG1-CD1 3.56Å; P192-I241 HydrophobicContact CB-CD1 4.33Å; P192-I241 HydrophobicContact CB-CG1 4.37Å; G194-I241 VanDerWaalsContact O-CA 3.32Å; G194-I241 WeakPolarHBondContact O-CA 3.37Å; L232-I241 HydrophobicContact CD1-CB 4.21Å; L232-I241 HydrophobicContact CD1-CG2 3.7Å; L232-I241 HydrophobicContact CD2-CB 4.19Å; L232-I241 HydrophobicContact CD2-CD1 4.31Å; L232-I241 HydrophobicContact CD2-CG2 3.98Å; L232-I241 HydrophobicContact CG-CG2 4.49Å; V237-I241 HydrophobicContact CB-CD1 4.44Å; V237-I241 HydrophobicContact CG2-CD1 4.05Å; V237-I241 HydrophobicContact CG2-CG1 4.5Å; V237-I241 PolarHBondContact O-N 2.87Å
242R98Very high95.1Very high49 Ų4940.2 Ų40.219%0.18521%0.208CC..EExtended strand (participates in β ladder)trans-93.6151.1-177.3-57.3-67171.1119.7-8.1111.5G194 H195 I196 D238 D239 N286G194-R242 PolarHBondContact O-N 2.86Å; H195-R242 CarbonylContact C-O 3.51Å; H195-R242 VanDerWaalsContact CA-O 3.31Å; H195-R242 WeakPolarHBondContact CA-O 3.16Å; I196-R242 PolarHBondContact N-O 3.42Å; D238-R242 WeakPolarHBondContact O-CD 3.29Å; D238-R242 PolarHBondContact O-NE 3.05Å; D238-R242 VanDerWaalsContact O-NE 3.13Å; D239-R242 VanDerWaalsContact O-CZ 3.22Å; D239-R242 PolarHBondContact O-NE 2.9Å; D239-R242 PolarHBondContact O-NH2 3.26Å; D239-R242 IonicContact OD1-CZ 3.29Å; D239-R242 IonicContact OD1-NH2 2.86Å; D239-R242 PolarHBondContact OD1-NH2 2.87Å; R242-N286 HydrophobicContact CG-CB 4.38Å
243V98.6Very high94.8Very high1 Ų140.9 Ų40.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-117.7125.1169.8-175.60000109.3I196 L228 E229 L232I196-V243 HydrophobicContact CB-CG2 4.5Å; I196-V243 CarbonylContact O-C 3.56Å; I196-V243 VanDerWaalsContact O-CA 3.3Å; I196-V243 WeakPolarHBondContact O-CA 3.46Å; L228-V243 HydrophobicContact CD2-CG2 4.06Å; L228-V243 HydrophobicContact CG-CG2 4.13Å; E229-V243 HydrophobicContact CB-CB 4.36Å; E229-V243 HydrophobicContact CB-CG2 4.35Å; L232-V243 HydrophobicContact CD1-CG2 3.69Å
244T98.6Very high94.3Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-112.1117.9176.6-67.40000110.2H195 I196 V197 C198 V246 E287 V290H195-T244 PolarHBondContact CE1-OG1 3.42Å; H195-T244 WeakPolarHBondContact NE2-CB 3.49Å; H195-T244 PolarHBondContact NE2-OG1 2.98Å; I196-T244 PolarHBondContact O-N 3.24Å; V197-T244 CarbonylContact C-O 3.3Å; V197-T244 WeakPolarHBondContact CA-O 3.34Å; V197-T244 HydrophobicContact CG1-CG2 4.39Å; C198-T244 PolarHBondContact N-O 3.07Å; T244-V246 HydrophobicContact CG2-CG2 3.98Å; T244-E287 WeakPolarHBondContact CB-O 3.44Å; T244-E287 VanDerWaalsContact CG2-O 3.27Å; T244-E287 WeakPolarHBondContact CG2-O 3.39Å; T244-E287 PolarHBondContact OG1-O 3.01Å; T244-V290 HydrophobicContact CG2-CG2 3.78Å
245R98.4Very high94.1Very high26 Ų2634.5 Ų34.510%0.09819%0.187CC..EExtended strand (participates in β ladder)trans-93.7114174.7-72.5170-77.9155.8-10.7110L222 S225 E226 E229 L247 R288 V290L222-R245 HydrophobicContact CD1-CB 3.93Å; L222-R245 HydrophobicContact CD1-CG 3.9Å; S225-R245 VanDerWaalsContact OG-CD 3.23Å; S225-R245 WeakPolarHBondContact OG-CD 3.14Å; S225-R245 WeakPolarHBondContact OG-CG 3.01Å; E226-R245 IonicContact OE1-CZ 2.73Å; E226-R245 IonicContact OE1-NH1 3.46Å; E226-R245 PolarHBondContact OE1-NH1 3.21Å; E229-R245 IonicContact OE2-CZ 2.65Å; E229-R245 IonicContact OE2-NE 2.89Å; E229-R245 IonicContact OE2-NH2 3.59Å; E229-R245 PolarHBondContact OE2-NH2 3.39Å; R245-L247 HydrophobicContact CB-CD1 4.46Å; R245-R288 PolarHBondContact N-O 2.86Å; R245-V290 PolarHBondContact O-N 3.04Å
246V98.4Very high93.9Very high0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-101.1131.2178-169.40000109.8V197 C198 S200 T244 P248 I279 V290 V292V197-V246 HydrophobicContact CG1-CG2 3.69Å; C198-V246 PolarHBondContact O-N 3.27Å; S200-V246 CarbonylContact C-O 3.53Å; S200-V246 WeakPolarHBondContact CA-O 3.43Å; S200-V246 PolarHBondContact N-O 3.06Å; T244-V246 HydrophobicContact CG2-CG2 3.98Å; V246-P248 HydrophobicContact CG1-CG 4.05Å; V246-I279 HydrophobicContact CB-CG1 4.46Å; V246-I279 HydrophobicContact CG1-CD1 3.88Å; V246-I279 HydrophobicContact CG1-CG1 3.65Å; V246-I279 HydrophobicContact CG2-CG1 4.04Å; V246-I279 HydrophobicContact CG2-CG2 4.24Å; V246-V290 CarbonylContact C-O 3.59Å; V246-V290 WeakPolarHBondContact CA-O 3.45Å; V246-V290 HydrophobicContact CG1-CG1 4.47Å; V246-V290 HydrophobicContact CG2-CB 4.5Å; V246-V292 HydrophobicContact CG1-CG2 3.86Å
247L97.8Very high93.7Very high3 Ų334 Ų342%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-123.284.2177.6-62.296.3000110R205 L222 R245 V289 V290 Y291 V292R205-L247 HydrophobicContact CG-CD2 4.14Å; L222-L247 HydrophobicContact CD1-CD1 4.45Å; L222-L247 HydrophobicContact CD2-CD2 4.18Å; R245-L247 HydrophobicContact CB-CD1 4.46Å; L247-V289 HydrophobicContact CD1-CG1 3.91Å; L247-V290 PolarHBondContact N-O 2.9Å; L247-Y291 HydrophobicContact CB-CD1 4.31Å; L247-Y291 HydrophobicContact CB-CG 4.44Å; L247-Y291 HydrophobicContact CD1-CD2 4.32Å; L247-Y291 HydrophobicContact CD1-CE2 4.16Å; L247-Y291 HydrophobicContact CD2-CE1 4.23Å; L247-V292 PolarHBondContact O-N 2.88Å
248P96.6Very high93.3Very high7 Ų736 Ų365%0.04519%0.187CC..  trans-69.4161166.5-15.131.5000111.7V199 I202 V246 L251 V292V199-P248 HydrophobicContact CG1-CG 4.22Å; I202-P248 PolarHBondContact N-O 2.93Å; V246-P248 HydrophobicContact CG1-CG 4.05Å; P248-L251 HydrophobicContact CB-CD1 3.87Å; P248-L251 HydrophobicContact CB-CD2 4.33Å; P248-L251 HydrophobicContact CB-CG 4.13Å; P248-L251 HydrophobicContact CG-CD1 4.43Å; P248-V292 HydrophobicContact CB-CG2 4.1Å; P248-V292 HydrophobicContact CG-CG2 4.04Å
249F92.4Very high93.1Very high31 Ų3135.4 Ų35.414%0.13618%0.184CC..  trans-105.5-139.6164.5-178.1-119.8000108.9I202 L251 F267 Y296I202-F249 HydrophobicContact CG2-CB 4.49Å; I202-F249 HydrophobicContact CG2-CD2 3.49Å; I202-F249 VanDerWaalsContact CG2-CD2 3.49Å; I202-F249 HydrophobicContact CG2-CE2 4.21Å; I202-F249 HydrophobicContact CG2-CG 4.44Å; F249-L251 PolarHBondContact O-N 3.36Å; F249-F267 HydrophobicContact CE1-CB 3.76Å; F249-F267 HydrophobicContact CE1-CD1 4.28Å; F249-F267 HydrophobicContact CE1-CG 4.45Å; F249-F267 HydrophobicContact CZ-CB 4.09Å; F249-F267 HydrophobicContact CZ-CD1 4.15Å; F249-F267 HydrophobicContact CZ-CG 4.43Å; F249-Y296 HydrophobicContact CB-CD2 3.68Å; F249-Y296 HydrophobicContact CB-CE2 3.51Å; F249-Y296 HydrophobicContact CD1-CD2 4.27Å; F249-Y296 AromaticContact CD1-CE2 3.4Å; F249-Y296 HydrophobicContact CD1-CE2 3.4Å; F249-Y296 VanDerWaalsContact CD1-CE2 3.4Å; F249-Y296 AromaticContact CD1-CZ 3.95Å; F249-Y296 HydrophobicContact CD2-CE2 4.44Å; F249-Y296 HydrophobicContact CE1-CE2 4.28Å; F249-Y296 AromaticContact CG-CD2 3.9Å; F249-Y296 HydrophobicContact CG-CD2 3.9Å; F249-Y296 AromaticContact CG-CE2 3.49Å; F249-Y296 HydrophobicContact CG-CE2 3.49Å; F249-Y296 VanDerWaalsContact CG-CE2 3.49Å
250L90.8Very high92.9Very high6 Ų634.5 Ų34.53%0.03118%0.183CC..SBendtrans-66.9121.7174-138.795.1000110.1F256 V259 T269 V270 Y323L250-F256 HydrophobicContact CD1-CD1 4.37Å; L250-V259 HydrophobicContact CD1-CG1 3.87Å; L250-V259 HydrophobicContact CD2-CB 4.21Å; L250-V259 HydrophobicContact CD2-CG1 3.9Å; L250-V259 HydrophobicContact CG-CG1 4.44Å; L250-T269 HydrophobicContact CD2-CG2 4.19Å; L250-T269 WeakPolarHBondContact CD2-OG1 3.32Å; L250-V270 PolarHBondContact O-N 3.32Å; L250-Y323 HydrophobicContact CD1-CD2 4.23Å; L250-Y323 HydrophobicContact CD1-CE2 4.03Å
251L90.8Very high92.7Very high9 Ų930.5 Ų30.55%0.04716%0.164CC..BIsolated β-bridgetrans-113.7148.2175.5-60177.7000109.8I61 P248 F249 T253 V270 C275I61-L251 HydrophobicContact CD1-CD1 4.31Å; I61-L251 HydrophobicContact CG2-CD1 3.75Å; P248-L251 HydrophobicContact CB-CD1 3.87Å; P248-L251 HydrophobicContact CB-CD2 4.33Å; P248-L251 HydrophobicContact CB-CG 4.13Å; P248-L251 HydrophobicContact CG-CD1 4.43Å; F249-L251 PolarHBondContact O-N 3.36Å; L251-T253 HydrophobicContact CB-CG2 3.93Å; L251-T253 HydrophobicContact CD1-CG2 4.47Å; L251-T253 PolarHBondContact O-N 3.03Å; L251-V270 WeakPolarHBondContact CA-O 3.24Å; L251-V270 HydrophobicContact CD2-CB 3.97Å; L251-V270 HydrophobicContact CD2-CG1 4.18Å; L251-C275 HydrophobicContact CD1-CB 4.24Å; L251-C275 HydrophobicContact CD2-CB 3.8Å
252N87.6Confident92.4Very high85 Ų8535.2 Ų35.246%0.45519%0.185SC..SBendtrans-74.850.3172.665.4-12.6000112.8T269 V270 D271 A272N252-T269 HydrophobicContact CB-CG2 3.96Å; N252-V270 PolarHBondContact N-O 2.69Å; N252-V270 VanDerWaalsContact N-O 3.13Å; N252-V270 PolarHBondContact OD1-O 3.2Å; N252-D271 PolarHBondContact ND2-OD2 3.27Å; N252-D271 WeakPolarHBondContact OD1-CA 3.46Å; N252-A272 WeakPolarHBondContact OD1-CB 3.34Å; N252-A272 PolarHBondContact OD1-N 3.31Å
253T89.9Confident92.1Very high17 Ų1734.7 Ų34.710%0.10418%0.184CC..SBendtrans-101.8165.6176.761.70000111.1I61 L251 M255 F256 K257 A272I61-T253 HydrophobicContact CG2-CG2 4.11Å; L251-T253 HydrophobicContact CB-CG2 3.93Å; L251-T253 HydrophobicContact CD1-CG2 4.47Å; L251-T253 PolarHBondContact O-N 3.03Å; T253-M255 PolarHBondContact O-N 2.89Å; T253-M255 VanDerWaalsContact O-N 3.14Å; T253-F256 CarbonylContact O-C 3.58Å; T253-F256 PolarHBondContact O-N 3.21Å; T253-F256 VanDerWaalsContact O-N 3.08Å; T253-K257 PolarHBondContact O-N 2.84Å; T253-K257 VanDerWaalsContact O-N 3.07Å; T253-A272 HydrophobicContact CG2-CB 3.78Å
254D86.3Confident91.6Very high92 Ų9238 Ų3849%0.49221%0.206SC..G310 helixtrans-58.1-26.9176-68-36.7000113F256 K257D254-F256 VanDerWaalsContact C-N 3.3Å; D254-F256 PolarHBondContact O-N 3.47Å; D254-K257 VanDerWaalsContact OD1-CD 3.32Å; D254-K257 WeakPolarHBondContact OD1-CD 3.25Å; D254-K257 IonicContact OD1-NZ 2.65Å; D254-K257 PolarHBondContact OD1-NZ 2.86Å
255M88.2Confident91.1Very high55 Ų5545.5 Ų45.527%0.27125%0.245SC..G310 helixtrans-60.8-36.3176.1-175.9179.2-67.800113G136 M138 Y214 T253 L327G136-M255 WeakPolarHBondContact O-CE 3.47Å; M138-M255 HydrophobicContact CB-CG 4.42Å; M138-M255 HydrophobicContact CB-SD 4.4Å; Y214-M255 HydrophobicContact CE2-SD 4.45Å; T253-M255 PolarHBondContact O-N 2.89Å; T253-M255 VanDerWaalsContact O-N 3.14Å; M255-L327 WeakPolarHBondContact O-CD2 3.4Å
256F89.3Confident90.6Very high26 Ų2648.6 Ų48.611%0.11426%0.263CS..G310 helixtrans-11717-175.9-66.7-75.4000113M138 L250 T253 D254 G258 V259M138-F256 HydrophobicContact CE-CE1 4.42Å; M138-F256 HydrophobicContact SD-CE1 3.51Å; M138-F256 VanDerWaalsContact SD-CE1 3.51Å; M138-F256 HydrophobicContact SD-CZ 3.79Å; L250-F256 HydrophobicContact CD1-CD1 4.37Å; T253-F256 CarbonylContact O-C 3.58Å; T253-F256 PolarHBondContact O-N 3.21Å; T253-F256 VanDerWaalsContact O-N 3.08Å; D254-F256 VanDerWaalsContact C-N 3.3Å; D254-F256 PolarHBondContact O-N 3.47Å; F256-G258 PolarHBondContact O-N 3.12Å; F256-V259 WeakPolarHBondContact O-CB 3.3Å; F256-V259 WeakPolarHBondContact O-CG2 3.34Å; F256-V259 PolarHBondContact O-N 3.3Å; F256-V259 VanDerWaalsContact O-N 3.12Å
257K87.4Confident90.2Very high93 Ų9350.4 Ų50.440%0.40427%0.271SS..THydrogen-bonded Turntrans-66.5134.6-176.3-160.7164.3-178.4178.50110.7T253 D254 V259 Y330T253-K257 PolarHBondContact O-N 2.84Å; T253-K257 VanDerWaalsContact O-N 3.07Å; D254-K257 VanDerWaalsContact OD1-CD 3.32Å; D254-K257 WeakPolarHBondContact OD1-CD 3.25Å; D254-K257 IonicContact OD1-NZ 2.65Å; D254-K257 PolarHBondContact OD1-NZ 2.86Å; K257-V259 VanDerWaalsContact C-N 3.31Å; K257-Y330 HydrophobicContact CB-CD1 4.24Å; K257-Y330 HydrophobicContact CB-CE1 3.73Å; K257-Y330 HydrophobicContact CD-CE1 4.06Å; K257-Y330 WeakPolarHBondContact CD-OH 3.17Å; K257-Y330 VanDerWaalsContact CE-OH 3.25Å; K257-Y330 WeakPolarHBondContact CE-OH 3.44Å; K257-Y330 HydrophobicContact CG-CE1 3.87Å; K257-Y330 HydrophobicContact CG-CE2 4.13Å; K257-Y330 VanDerWaalsContact O-CD1 3.28Å; K257-Y330 WeakPolarHBondContact O-CD1 3.15Å
258G87.5Confident89.8Confident43 Ų4352.2 Ų52.244%0.44328%0.283SS..THydrogen-bonded Turntrans87.3-10.4-173.500000114.6F256F256-G258 PolarHBondContact O-N 3.12Å
259V90.9Very high89.5Confident10 Ų1054.8 Ų54.86%0.06130%0.299CS..  trans-80.1128.9175-176.60000110.2L250 F256 K257 Y323 Q326 L327L250-V259 HydrophobicContact CD1-CG1 3.87Å; L250-V259 HydrophobicContact CD2-CB 4.21Å; L250-V259 HydrophobicContact CD2-CG1 3.9Å; L250-V259 HydrophobicContact CG-CG1 4.44Å; F256-V259 WeakPolarHBondContact O-CB 3.3Å; F256-V259 WeakPolarHBondContact O-CG2 3.34Å; F256-V259 PolarHBondContact O-N 3.3Å; F256-V259 VanDerWaalsContact O-N 3.12Å; K257-V259 VanDerWaalsContact C-N 3.31Å; V259-Y323 HydrophobicContact CG1-CD1 3.41Å; V259-Y323 VanDerWaalsContact CG1-CD1 3.41Å; V259-Y323 HydrophobicContact CG1-CD2 4.28Å; V259-Y323 HydrophobicContact CG1-CE1 4Å; V259-Y323 HydrophobicContact CG1-CG 3.59Å; V259-Q326 HydrophobicContact CG2-CB 4.43Å; V259-L327 HydrophobicContact CG2-CD1 4.05Å; V259-L327 HydrophobicContact CG2-CD2 3.57Å; V259-L327 HydrophobicContact CG2-CG 3.42Å; V259-L327 VanDerWaalsContact CG2-CG 3.42Å
260T90.6Very high89.5Confident82 Ų8254.3 Ų54.350%0.50330%0.298SS..  trans-125.7123.3171.6-56.40000109.1M322 Q326T260-M322 WeakPolarHBondContact O-CE 3.39Å; T260-Q326 PolarHBondContact O-NE2 3.06Å; T260-Q326 PolarHBondContact O-OE1 2.9Å
261P91Very high89.6Confident5 Ų557.2 Ų57.23%0.03231%0.314CS..  trans-60140.2175.329-37.3000110.4H263 P264 F267P261-H263 PolarHBondContact O-N 2.84Å; P261-P264 HydrophobicContact CG-CB 3.98Å; P261-P264 WeakPolarHBondContact O-CD 3.38Å; P261-F267 HydrophobicContact CB-CB 4.04Å; P261-F267 VanDerWaalsContact CB-O 3.29Å; P261-F267 WeakPolarHBondContact CB-O 3.16Å; P261-F267 WeakPolarHBondContact CG-O 3.45Å
262K91Very high89.9Confident99 Ų9957.1 Ų57.143%0.4331%0.314SS..SBendtrans-58.2-36175.1180176.4170.7-169.20112P264 Y317 N319 M322K262-P264 WeakPolarHBondContact O-CD 3.41Å; K262-Y317 PolarHBondContact NZ-O 3.32Å; K262-Y317 VanDerWaalsContact NZ-O 3.1Å; K262-N319 HydrophobicContact CB-CB 4.47Å; K262-N319 HydrophobicContact CD-CB 3.54Å; K262-M322 HydrophobicContact CB-CE 4.15Å
263H91.6Very high90.3Very high39 Ų3955.6 Ų55.618%0.18131%0.31CS..SBendtrans-119.877.2179.7-57.3-75000110.5P261 L265 L266 F267 Y317P261-H263 PolarHBondContact O-N 2.84Å; H263-L265 PolarHBondContact O-N 3.45Å; H263-L265 VanDerWaalsContact O-N 3.15Å; H263-L266 HydrophobicContact CB-CB 4.11Å; H263-L266 HydrophobicContact CB-CD1 4.11Å; H263-L266 HydrophobicContact CB-CG 4.34Å; H263-L266 PolarHBondContact O-N 3.49Å; H263-F267 HydrophobicContact CB-CD2 4.3Å; H263-F267 PolarHBondContact O-N 2.93Å; H263-Y317 AromaticContact CD2-CE1 3.82Å; H263-Y317 AromaticContact CE1-CE1 3.8Å; H263-Y317 AromaticContact CE1-CE2 3.96Å; H263-Y317 AromaticContact CE1-CZ 3.48Å; H263-Y317 VanDerWaalsContact CE1-CZ 3.48Å; H263-Y317 PolarHBondContact CE1-OH 3.12Å; H263-Y317 AromaticContact NE2-CD1 3.75Å; H263-Y317 AromaticContact NE2-CE1 3.41Å; H263-Y317 WeakPolarHBondContact NE2-CE1 3.27Å; H263-Y317 AromaticContact NE2-CE2 3.93Å; H263-Y317 AromaticContact NE2-CZ 3.51Å; H263-Y317 PolarHBondContact NE2-O 2.84Å
264P88.6Confident90.6Very high70 Ų7060.6 Ų60.646%0.45533%0.328SS..THydrogen-bonded Turntrans-63-21.9-174.124.2-33.6000114P261 K262 P268P261-P264 HydrophobicContact CG-CB 3.98Å; P261-P264 WeakPolarHBondContact O-CD 3.38Å; K262-P264 WeakPolarHBondContact O-CD 3.41Å; P264-P268 WeakPolarHBondContact O-CA 3.22Å; P264-P268 VanDerWaalsContact O-CB 3.31Å; P264-P268 WeakPolarHBondContact O-CB 3.4Å; P264-P268 WeakPolarHBondContact O-CD 3.4Å
265L88.7Confident91.2Very high158 Ų15856.2 Ų56.283%0.82731%0.305SS*.THydrogen-bonded Turntrans-70.5-39.3173.9-63.5177.2000112.1H263 R295H263-L265 PolarHBondContact O-N 3.45Å; H263-L265 VanDerWaalsContact O-N 3.15Å; L265-R295 PolarHBondContact O-NH2 3.31Å
266L86.9Confident91.7Very high90 Ų9053.6 Ų53.647%0.47129%0.292SS..THydrogen-bonded Turntrans-81-37.7178-65.6177.4000111.6H263 P268 R295 Y296 Y317H263-L266 HydrophobicContact CB-CB 4.11Å; H263-L266 HydrophobicContact CB-CD1 4.11Å; H263-L266 HydrophobicContact CB-CG 4.34Å; H263-L266 PolarHBondContact O-N 3.49Å; L266-P268 VanDerWaalsContact C-CD 3.46Å; L266-R295 VanDerWaalsContact C-NH2 3.3Å; L266-R295 PolarHBondContact O-NH2 2.89Å; L266-Y296 PolarHBondContact O-OH 2.84Å; L266-Y317 HydrophobicContact CD1-CE1 4.32Å
267F89.9Confident92.1Very high38 Ų3855 Ų5517%0.16730%0.301CS..SBendtrans-127.553.7-172.2-60.4-68.9000113F249 P261 H263 Y296 L299 A318F249-F267 HydrophobicContact CE1-CB 3.76Å; F249-F267 HydrophobicContact CE1-CD1 4.28Å; F249-F267 HydrophobicContact CE1-CG 4.45Å; F249-F267 HydrophobicContact CZ-CB 4.09Å; F249-F267 HydrophobicContact CZ-CD1 4.15Å; F249-F267 HydrophobicContact CZ-CG 4.43Å; P261-F267 HydrophobicContact CB-CB 4.04Å; P261-F267 VanDerWaalsContact CB-O 3.29Å; P261-F267 WeakPolarHBondContact CB-O 3.16Å; P261-F267 WeakPolarHBondContact CG-O 3.45Å; H263-F267 HydrophobicContact CB-CD2 4.3Å; H263-F267 PolarHBondContact O-N 2.93Å; F267-Y296 VanDerWaalsContact CA-OH 3.29Å; F267-Y296 WeakPolarHBondContact CA-OH 3.4Å; F267-Y296 HydrophobicContact CD1-CE1 4.05Å; F267-Y296 HydrophobicContact CE1-CE1 4.45Å; F267-L299 HydrophobicContact CE1-CD1 4.43Å; F267-L299 HydrophobicContact CE1-CD2 4.5Å; F267-A318 HydrophobicContact CE2-CB 4.26Å
268P89.1Confident92.6Very high42 Ų4252.3 Ų52.327%0.27329%0.288SS..PPolyproline II helixtrans-60144.1-176.125.6-36.6000112.1P264 L266 V270 Y296P264-P268 WeakPolarHBondContact O-CA 3.22Å; P264-P268 VanDerWaalsContact O-CB 3.31Å; P264-P268 WeakPolarHBondContact O-CB 3.4Å; P264-P268 WeakPolarHBondContact O-CD 3.4Å; L266-P268 VanDerWaalsContact C-CD 3.46Å; P268-V270 PolarHBondContact O-N 2.79Å; P268-Y296 VanDerWaalsContact CD-OH 3.23Å; P268-Y296 WeakPolarHBondContact CD-OH 3.21Å
269T91.4Very high93.1Very high61 Ų6150.2 Ų50.237%0.37427%0.267SS..PPolyproline II helixtrans-67.7125.4163.9-50.50000108.8L250 N252L250-T269 HydrophobicContact CD2-CG2 4.19Å; L250-T269 WeakPolarHBondContact CD2-OG1 3.32Å; N252-T269 HydrophobicContact CB-CG2 3.96Å
270V91.7Very high93.5Very high21 Ų2149.8 Ų49.813%0.12726%0.264CS..BIsolated β-bridgetrans-94.8145.5-179.3174.90000110.3L250 L251 N252 P268 Y274 V292 T293L250-V270 PolarHBondContact O-N 3.32Å; L251-V270 WeakPolarHBondContact CA-O 3.24Å; L251-V270 HydrophobicContact CD2-CB 3.97Å; L251-V270 HydrophobicContact CD2-CG1 4.18Å; N252-V270 PolarHBondContact N-O 2.69Å; N252-V270 VanDerWaalsContact N-O 3.13Å; N252-V270 PolarHBondContact OD1-O 3.2Å; P268-V270 PolarHBondContact O-N 2.79Å; V270-Y274 HydrophobicContact CG1-CD1 3.58Å; V270-Y274 HydrophobicContact CG1-CE1 4.27Å; V270-Y274 HydrophobicContact CG1-CG 4.47Å; V270-V292 HydrophobicContact CG1-CG1 4.19Å; V270-T293 WeakPolarHBondContact CG2-OG1 3.22Å
271D94.1Very high93.8Very high67 Ų6747.3 Ų47.336%0.35825%0.246SC..PPolyproline II helixtrans-67.5135.4175.9-171.2-98.7000112.2N252 S273 Y274 C275N252-D271 PolarHBondContact ND2-OD2 3.27Å; N252-D271 WeakPolarHBondContact OD1-CA 3.46Å; D271-S273 VanDerWaalsContact C-N 3.28Å; D271-S273 PolarHBondContact O-N 2.84Å; D271-S273 VanDerWaalsContact OD1-CA 3.29Å; D271-S273 WeakPolarHBondContact OD1-CA 3.33Å; D271-S273 WeakPolarHBondContact OD1-CB 3.26Å; D271-S273 PolarHBondContact OD1-N 3Å; D271-S273 PolarHBondContact OD1-OG 3.43Å; D271-Y274 WeakPolarHBondContact O-CB 3.39Å; D271-Y274 PolarHBondContact O-N 3.43Å; D271-Y274 PolarHBondContact OD1-N 3.15Å; D271-C275 PolarHBondContact O-N 3.46Å
272A95.9Very high94.1Very high7 Ų747 Ų476%0.05825%0.245CC..Hα-helixtrans-65.7-31.2-179.200000112.2I61 L64 N252 T253 C275 A276I61-A272 HydrophobicContact CG2-CB 3.92Å; L64-A272 HydrophobicContact CD1-CB 3.56Å; N252-A272 WeakPolarHBondContact OD1-CB 3.34Å; N252-A272 PolarHBondContact OD1-N 3.31Å; T253-A272 HydrophobicContact CG2-CB 3.78Å; A272-C275 WeakPolarHBondContact O-CB 3.39Å; A272-C275 PolarHBondContact O-N 2.71Å; A272-A276 WeakPolarHBondContact O-CB 3.43Å; A272-A276 PolarHBondContact O-N 3.25Å
273S96.6Very high94.4Very high53 Ų5342.3 Ų42.337%0.37122%0.224SC..Hα-helixtrans-71.9-41.1177.3-320000110.4D271 C275 A276 N277D271-S273 VanDerWaalsContact C-N 3.28Å; D271-S273 PolarHBondContact O-N 2.84Å; D271-S273 VanDerWaalsContact OD1-CA 3.29Å; D271-S273 WeakPolarHBondContact OD1-CA 3.33Å; D271-S273 WeakPolarHBondContact OD1-CB 3.26Å; D271-S273 PolarHBondContact OD1-N 3Å; D271-S273 PolarHBondContact OD1-OG 3.43Å; S273-C275 VanDerWaalsContact C-N 3.33Å; S273-C275 PolarHBondContact O-N 3.4Å; S273-A276 PolarHBondContact O-N 2.92Å; S273-N277 WeakPolarHBondContact O-CB 3.45Å; S273-N277 PolarHBondContact O-N 3.46Å
274Y97Very high94.7Very high121 Ų12142.5 Ų42.548%0.47522%0.223SC..Hα-helixtrans-59.2-45.8170173.6-95.3000111.1V270 D271 N277 R278 V292V270-Y274 HydrophobicContact CG1-CD1 3.58Å; V270-Y274 HydrophobicContact CG1-CE1 4.27Å; V270-Y274 HydrophobicContact CG1-CG 4.47Å; D271-Y274 WeakPolarHBondContact O-CB 3.39Å; D271-Y274 PolarHBondContact O-N 3.43Å; D271-Y274 PolarHBondContact OD1-N 3.15Å; Y274-N277 PolarHBondContact O-N 3.49Å; Y274-R278 HydrophobicContact CE1-CB 4.49Å; Y274-R278 VanDerWaalsContact O-CB 3.24Å; Y274-R278 WeakPolarHBondContact O-CB 3.47Å; Y274-R278 PolarHBondContact O-N 2.9Å; Y274-V292 HydrophobicContact CD1-CG1 4.12Å; Y274-V292 HydrophobicContact CE1-CG1 3.93Å
275C97.5Very high95.1Very high0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-58.4-49.4176.6-177.40000111.6I61 L251 D271 A272 S273 R278 I279 V292I61-C275 HydrophobicContact CG2-CB 4.25Å; L251-C275 HydrophobicContact CD1-CB 4.24Å; L251-C275 HydrophobicContact CD2-CB 3.8Å; D271-C275 PolarHBondContact O-N 3.46Å; A272-C275 WeakPolarHBondContact O-CB 3.39Å; A272-C275 PolarHBondContact O-N 2.71Å; S273-C275 VanDerWaalsContact C-N 3.33Å; S273-C275 PolarHBondContact O-N 3.4Å; C275-R278 PolarHBondContact O-N 3.48Å; C275-I279 VanDerWaalsContact O-CG1 3.25Å; C275-I279 WeakPolarHBondContact O-CG1 3.34Å; C275-I279 PolarHBondContact O-N 3.28Å; C275-V292 HydrophobicContact CB-CG1 4.1Å
276A98.3Very high95.5Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-60.6-47.3178.700000112.1L64 M65 E68 A272 S273 R278 I279 V280L64-A276 HydrophobicContact CB-CB 3.5Å; L64-A276 VanDerWaalsContact CB-CB 3.5Å; M65-A276 HydrophobicContact CG-CB 3.91Å; E68-A276 HydrophobicContact CG-CB 4.34Å; A272-A276 WeakPolarHBondContact O-CB 3.43Å; A272-A276 PolarHBondContact O-N 3.25Å; S273-A276 PolarHBondContact O-N 2.92Å; A276-R278 PolarHBondContact O-N 3.43Å; A276-I279 PolarHBondContact O-N 2.97Å; A276-V280 WeakPolarHBondContact O-CG2 3.45Å; A276-V280 PolarHBondContact O-N 3.23Å
277N98.1Very high95.9Very high57 Ų5733.1 Ų33.131%0.30517%0.169SC..Hα-helixtrans-59.7-46.4176.4179.9-91.5000111.3E68 S273 Y274 I279 V280 Q281E68-N277 HydrophobicContact CG-CB 4.27Å; E68-N277 PolarHBondContact OE2-ND2 3.29Å; S273-N277 WeakPolarHBondContact O-CB 3.45Å; S273-N277 PolarHBondContact O-N 3.46Å; Y274-N277 PolarHBondContact O-N 3.49Å; N277-I279 VanDerWaalsContact C-N 3.28Å; N277-I279 PolarHBondContact O-N 3.33Å; N277-V280 PolarHBondContact O-N 2.95Å; N277-Q281 WeakPolarHBondContact O-CG 3.35Å; N277-Q281 PolarHBondContact O-N 3.27Å
278R97.6Very high96.1Very high35 Ų3535.2 Ų35.213%0.13218%0.176CC..Hα-helixtrans-58.1-40.5177.4-179.567.9-171.486.9-3.2111.7Y274 C275 A276 S282 E287 V290Y274-R278 HydrophobicContact CE1-CB 4.49Å; Y274-R278 VanDerWaalsContact O-CB 3.24Å; Y274-R278 WeakPolarHBondContact O-CB 3.47Å; Y274-R278 PolarHBondContact O-N 2.9Å; C275-R278 PolarHBondContact O-N 3.48Å; A276-R278 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact NH1-OG 3.26Å; R278-S282 PolarHBondContact O-N 3.3Å; R278-S282 PolarHBondContact O-OG 3.36Å; R278-E287 IonicContact CZ-OE1 2.81Å; R278-E287 IonicContact CZ-OE2 2.97Å; R278-E287 IonicContact NH1-OE1 3.58Å; R278-E287 IonicContact NH1-OE2 2.69Å; R278-E287 PolarHBondContact NH1-OE2 3.42Å; R278-E287 IonicContact NH2-OE1 3.44Å; R278-E287 PolarHBondContact NH2-OE1 3.47Å; R278-E287 IonicContact NH2-OE2 3.79Å; R278-E287 PolarHBondContact NH2-OE2 3.02Å; R278-V290 HydrophobicContact CG-CG1 4.21Å
279I98.5Very high96.5Very high0 Ų035.2 Ų35.20%018%0.175CC..Hα-helixtrans-65.2-49.9176.5-65.9165.6000110.6M65 V197 V246 C275 A276 N277 Q281 S282 V283M65-I279 HydrophobicContact SD-CB 4.1Å; M65-I279 HydrophobicContact SD-CD1 3.82Å; M65-I279 HydrophobicContact SD-CG2 3.64Å; V197-I279 HydrophobicContact CG1-CG2 4.09Å; V246-I279 HydrophobicContact CB-CG1 4.46Å; V246-I279 HydrophobicContact CG1-CD1 3.88Å; V246-I279 HydrophobicContact CG1-CG1 3.65Å; V246-I279 HydrophobicContact CG2-CG1 4.04Å; V246-I279 HydrophobicContact CG2-CG2 4.24Å; C275-I279 VanDerWaalsContact O-CG1 3.25Å; C275-I279 WeakPolarHBondContact O-CG1 3.34Å; C275-I279 PolarHBondContact O-N 3.28Å; A276-I279 PolarHBondContact O-N 2.97Å; N277-I279 VanDerWaalsContact C-N 3.28Å; N277-I279 PolarHBondContact O-N 3.33Å; I279-Q281 VanDerWaalsContact C-N 3.33Å; I279-Q281 PolarHBondContact O-N 3.13Å; I279-S282 WeakPolarHBondContact O-CA 3.43Å; I279-S282 WeakPolarHBondContact O-CB 3.31Å; I279-S282 PolarHBondContact O-N 2.8Å; I279-V283 PolarHBondContact O-N 3.04Å
280V98.6Very high96.7Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-59.8-43.1178.8174.30000111.4E68 F69 F72 A276 N277 S282 V283 R284E68-V280 HydrophobicContact CB-CB 4.15Å; E68-V280 HydrophobicContact CB-CG1 4.49Å; E68-V280 HydrophobicContact CB-CG2 3.56Å; F69-V280 HydrophobicContact CD1-CB 4.36Å; F69-V280 HydrophobicContact CD1-CG1 3.82Å; F69-V280 HydrophobicContact CD1-CG2 3.8Å; F69-V280 HydrophobicContact CD2-CG2 3.88Å; F69-V280 HydrophobicContact CE1-CB 4.22Å; F69-V280 HydrophobicContact CE1-CG1 3.97Å; F69-V280 HydrophobicContact CE1-CG2 3.78Å; F69-V280 HydrophobicContact CE2-CG2 3.83Å; F69-V280 HydrophobicContact CG-CG1 4.5Å; F69-V280 HydrophobicContact CG-CG2 3.85Å; F69-V280 HydrophobicContact CZ-CG2 3.79Å; F72-V280 HydrophobicContact CD2-CG1 3.9Å; F72-V280 HydrophobicContact CE2-CG1 3.93Å; A276-V280 WeakPolarHBondContact O-CG2 3.45Å; A276-V280 PolarHBondContact O-N 3.23Å; N277-V280 PolarHBondContact O-N 2.95Å; V280-S282 VanDerWaalsContact C-N 3.3Å; V280-S282 PolarHBondContact O-N 3.38Å; V280-V283 PolarHBondContact O-N 3.26Å; V280-R284 WeakPolarHBondContact O-CG 3.35Å; V280-R284 PolarHBondContact O-N 3.3Å
281Q97.7Very high97Very high30 Ų3032.1 Ų32.114%0.1415%0.154CC..Hα-helixtrans-62.7-37.8173.6-61.5-44.6-38.400111.9N277 I279 V283 R284 L285N277-Q281 WeakPolarHBondContact O-CG 3.35Å; N277-Q281 PolarHBondContact O-N 3.27Å; I279-Q281 VanDerWaalsContact C-N 3.33Å; I279-Q281 PolarHBondContact O-N 3.13Å; Q281-V283 VanDerWaalsContact C-N 3.33Å; Q281-V283 PolarHBondContact O-N 3.45Å; Q281-R284 PolarHBondContact O-N 2.92Å; Q281-L285 HydrophobicContact CB-CD1 4.5Å; Q281-L285 WeakPolarHBondContact O-CB 3.49Å; Q281-L285 WeakPolarHBondContact O-CG 3.26Å; Q281-L285 PolarHBondContact O-N 2.97Å
282S97.3Very high97Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-60.4-43.1176-49.50000112.3R278 I279 V280 R284 L285 N286 E287 V290R278-S282 PolarHBondContact NH1-OG 3.26Å; R278-S282 PolarHBondContact O-N 3.3Å; R278-S282 PolarHBondContact O-OG 3.36Å; I279-S282 WeakPolarHBondContact O-CA 3.43Å; I279-S282 WeakPolarHBondContact O-CB 3.31Å; I279-S282 PolarHBondContact O-N 2.8Å; V280-S282 VanDerWaalsContact C-N 3.3Å; V280-S282 PolarHBondContact O-N 3.38Å; S282-R284 VanDerWaalsContact C-N 3.32Å; S282-R284 PolarHBondContact O-N 3.13Å; S282-L285 CarbonylContact O-C 3.43Å; S282-L285 PolarHBondContact O-N 3.27Å; S282-N286 PolarHBondContact O-N 3.49Å; S282-E287 WeakPolarHBondContact CA-OE2 3.38Å; S282-E287 WeakPolarHBondContact CB-OE2 3.28Å; S282-E287 PolarHBondContact O-N 3.01Å; S282-E287 PolarHBondContact OG-OE2 3.32Å; S282-V290 VanDerWaalsContact CB-CG2 3.45Å; S282-V290 WeakPolarHBondContact OG-CG1 3.37Å; S282-V290 WeakPolarHBondContact OG-CG2 3.34Å
283V98.4Very high96.9Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-60.6-46.6176.6173.60000109.8K45 L47 F69 V130 V197 I279 V280 Q281 L285 N286K45-V283 WeakPolarHBondContact CE-O 3.45Å; K45-V283 PolarHBondContact NZ-O 3.07Å; L47-V283 HydrophobicContact CD2-CG1 4.47Å; F69-V283 HydrophobicContact CE1-CB 4.34Å; F69-V283 HydrophobicContact CE1-CG1 4.3Å; F69-V283 HydrophobicContact CE1-CG2 4.41Å; F69-V283 HydrophobicContact CZ-CG2 4.13Å; V130-V283 HydrophobicContact CG1-CG1 4.31Å; V197-V283 HydrophobicContact CG2-CG2 3.43Å; V197-V283 VanDerWaalsContact CG2-CG2 3.43Å; I279-V283 PolarHBondContact O-N 3.04Å; V280-V283 PolarHBondContact O-N 3.26Å; Q281-V283 VanDerWaalsContact C-N 3.33Å; Q281-V283 PolarHBondContact O-N 3.45Å; V283-L285 VanDerWaalsContact C-N 3.3Å; V283-L285 PolarHBondContact O-N 2.96Å; V283-N286 PolarHBondContact O-N 3.27Å; V283-N286 PolarHBondContact O-OD1 3.06Å
284R97.9Very high96.7Very high42 Ų4231.2 Ų31.216%0.15815%0.148CC..Hα-helixtrans-65.9-30.8178.8-66.3177.271-143.48.7113Y44 K45 L47 V280 Q281 S282Y44-R284 CarbonylContact C-O 3.57Å; Y44-R284 WeakPolarHBondContact CA-O 3.39Å; Y44-R284 HydrophobicContact CD1-CB 3.69Å; Y44-R284 HydrophobicContact CG-CB 4.44Å; K45-R284 PolarHBondContact N-O 3.48Å; L47-R284 HydrophobicContact CD1-CG 3.67Å; L47-R284 HydrophobicContact CG-CG 4.11Å; V280-R284 WeakPolarHBondContact O-CG 3.35Å; V280-R284 PolarHBondContact O-N 3.3Å; Q281-R284 PolarHBondContact O-N 2.92Å; S282-R284 VanDerWaalsContact C-N 3.32Å; S282-R284 PolarHBondContact O-N 3.13Å
285L96.5Very high96.4Very high34 Ų3431.6 Ų31.618%0.17815%0.149CC..THydrogen-bonded Turntrans-89.9-0.8177.8-65.5167.8000113.4Q38 P42 Y44 Q281 S282 V283 E287Q38-L285 HydrophobicContact CG-CD2 4.45Å; P42-L285 HydrophobicContact CB-CD2 3.73Å; Y44-L285 HydrophobicContact CD1-CD2 3.7Å; Y44-L285 HydrophobicContact CD1-CG 3.86Å; Y44-L285 HydrophobicContact CE1-CD1 4Å; Y44-L285 HydrophobicContact CE1-CD2 3.53Å; Y44-L285 HydrophobicContact CE1-CG 3.64Å; Y44-L285 HydrophobicContact CG-CD2 4.29Å; Q281-L285 HydrophobicContact CB-CD1 4.5Å; Q281-L285 WeakPolarHBondContact O-CB 3.49Å; Q281-L285 WeakPolarHBondContact O-CG 3.26Å; Q281-L285 PolarHBondContact O-N 2.97Å; S282-L285 CarbonylContact O-C 3.43Å; S282-L285 PolarHBondContact O-N 3.27Å; V283-L285 VanDerWaalsContact C-N 3.3Å; V283-L285 PolarHBondContact O-N 2.96Å; L285-E287 VanDerWaalsContact C-N 3.26Å; L285-E287 HydrophobicContact CB-CG 4.1Å; L285-E287 PolarHBondContact O-N 3Å
286N96.1Very high96.3Very high49 Ų4932 Ų3226%0.26215%0.151SC..THydrogen-bonded Turntrans5337.2-174-62.9-48.6000114.3K45 R242 S282 V283 R288K45-N286 WeakPolarHBondContact CD-OD1 3.49Å; K45-N286 PolarHBondContact NZ-OD1 2.72Å; R242-N286 HydrophobicContact CG-CB 4.38Å; S282-N286 PolarHBondContact O-N 3.49Å; V283-N286 PolarHBondContact O-N 3.27Å; V283-N286 PolarHBondContact O-OD1 3.06Å; N286-R288 PolarHBondContact O-N 2.97Å
287E95.5Very high96.1Very high38 Ų3836 Ų3618%0.17817%0.166CC..  trans-72.4119.2178.5-73.4-178.4115.900111.9T244 R278 S282 L285 V290T244-E287 WeakPolarHBondContact CB-O 3.44Å; T244-E287 VanDerWaalsContact CG2-O 3.27Å; T244-E287 WeakPolarHBondContact CG2-O 3.39Å; T244-E287 PolarHBondContact OG1-O 3.01Å; R278-E287 IonicContact CZ-OE1 2.81Å; R278-E287 IonicContact CZ-OE2 2.97Å; R278-E287 IonicContact NH1-OE1 3.58Å; R278-E287 IonicContact NH1-OE2 2.69Å; R278-E287 PolarHBondContact NH1-OE2 3.42Å; R278-E287 IonicContact NH2-OE1 3.44Å; R278-E287 PolarHBondContact NH2-OE1 3.47Å; R278-E287 IonicContact NH2-OE2 3.79Å; R278-E287 PolarHBondContact NH2-OE2 3.02Å; S282-E287 WeakPolarHBondContact CA-OE2 3.38Å; S282-E287 WeakPolarHBondContact CB-OE2 3.28Å; S282-E287 PolarHBondContact O-N 3.01Å; S282-E287 PolarHBondContact OG-OE2 3.32Å; L285-E287 VanDerWaalsContact C-N 3.26Å; L285-E287 HydrophobicContact CB-CG 4.1Å; L285-E287 PolarHBondContact O-N 3Å; E287-V290 HydrophobicContact CB-CG2 3.91Å
288R95.3Very high95.9Very high83 Ų8337.2 Ų37.231%0.31317%0.171SC..SBendtrans-69.2-34.8-179.4-67172.6-178.7-98.310113.9E229 D238 R245 N286E229-R288 WeakPolarHBondContact OE1-CD 3.36Å; E229-R288 WeakPolarHBondContact OE1-CG 3.3Å; E229-R288 IonicContact OE1-CZ 2.83Å; E229-R288 IonicContact OE1-NE 3.54Å; E229-R288 IonicContact OE1-NH1 2.8Å; E229-R288 PolarHBondContact OE1-NH1 3.02Å; D238-R288 IonicContact OD2-NH2 3.03Å; D238-R288 PolarHBondContact OD2-NH2 3.35Å; R245-R288 PolarHBondContact N-O 2.86Å; N286-R288 PolarHBondContact O-N 2.97Å
289V96.6Very high95.7Very high41 Ų4137.3 Ų37.325%0.24818%0.175CC..EExtended strand (participates in β ladder)trans-136117.7-177.7-172.60000112.5L247 Y291 R297L247-V289 HydrophobicContact CD1-CG1 3.91Å; V289-Y291 HydrophobicContact CG1-CD2 4.03Å; V289-Y291 HydrophobicContact CG1-CE2 3.71Å; V289-R297 PolarHBondContact O-NH2 3.25Å
290V96.6Very high95.5Very high0 Ų038.2 Ų38.20%018%0.18CC..EExtended strand (participates in β ladder)trans-120.4102.6-171.3-1770000109.9T244 R245 V246 L247 R278 S282 E287T244-V290 HydrophobicContact CG2-CG2 3.78Å; R245-V290 PolarHBondContact O-N 3.04Å; V246-V290 CarbonylContact C-O 3.59Å; V246-V290 WeakPolarHBondContact CA-O 3.45Å; V246-V290 HydrophobicContact CG1-CG1 4.47Å; V246-V290 HydrophobicContact CG2-CB 4.5Å; L247-V290 PolarHBondContact N-O 2.9Å; R278-V290 HydrophobicContact CG-CG1 4.21Å; S282-V290 VanDerWaalsContact CB-CG2 3.45Å; S282-V290 WeakPolarHBondContact OG-CG1 3.37Å; S282-V290 WeakPolarHBondContact OG-CG2 3.34Å; E287-V290 HydrophobicContact CB-CG2 3.91Å
291Y96.6Very high95.4Very high17 Ų1742.1 Ų42.17%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-84.5114.6161.7-70.3-112.2000107.4I202 R205 L247 V289 T293 R297I202-Y291 HydrophobicContact CD1-CD1 3.95Å; I202-Y291 HydrophobicContact CD1-CE1 3.52Å; R205-Y291 WeakPolarHBondContact CD-OH 3.43Å; R205-Y291 PolarHBondContact NH1-OH 3.39Å; L247-Y291 HydrophobicContact CB-CD1 4.31Å; L247-Y291 HydrophobicContact CB-CG 4.44Å; L247-Y291 HydrophobicContact CD1-CD2 4.32Å; L247-Y291 HydrophobicContact CD1-CE2 4.16Å; L247-Y291 HydrophobicContact CD2-CE1 4.23Å; V289-Y291 HydrophobicContact CG1-CD2 4.03Å; V289-Y291 HydrophobicContact CG1-CE2 3.71Å; Y291-T293 PolarHBondContact O-N 3.34Å; Y291-R297 HydrophobicContact CD1-CB 4.48Å; Y291-R297 HydrophobicContact CD1-CG 3.75Å; Y291-R297 HydrophobicContact CD2-CG 3.37Å; Y291-R297 HydrophobicContact CE1-CB 4.45Å; Y291-R297 HydrophobicContact CE1-CG 3.96Å; Y291-R297 HydrophobicContact CE2-CG 3.62Å; Y291-R297 HydrophobicContact CG-CG 3.44Å; Y291-R297 VanDerWaalsContact CG-CG 3.44Å
292V95.4Very high95.2Very high2 Ų243.4 Ų43.41%0.01221%0.208CC..SBendtrans-58.7-38.8-179.9178.60000110V246 L247 P248 V270 Y274 C275V246-V292 HydrophobicContact CG1-CG2 3.86Å; L247-V292 PolarHBondContact O-N 2.88Å; P248-V292 HydrophobicContact CB-CG2 4.1Å; P248-V292 HydrophobicContact CG-CG2 4.04Å; V270-V292 HydrophobicContact CG1-CG1 4.19Å; Y274-V292 HydrophobicContact CD1-CG1 4.12Å; Y274-V292 HydrophobicContact CE1-CG1 3.93Å; C275-V292 HydrophobicContact CB-CG1 4.1Å
293T93.6Very high94.9Very high21 Ų2147 Ų4713%0.12923%0.225CC..SBendtrans-105.595.5168.9-500000109.5V270 Y291 R295 Y296V270-T293 WeakPolarHBondContact CG2-OG1 3.22Å; Y291-T293 PolarHBondContact O-N 3.34Å; T293-R295 VanDerWaalsContact C-N 3.25Å; T293-R295 HydrophobicContact CG2-CG 3.81Å; T293-R295 PolarHBondContact O-N 3.17Å; T293-R295 VanDerWaalsContact O-N 3.08Å; T293-Y296 VanDerWaalsContact CB-CD2 3.45Å; T293-Y296 VanDerWaalsContact CB-CE2 3.45Å; T293-Y296 HydrophobicContact CG2-CD1 4.3Å; T293-Y296 HydrophobicContact CG2-CD2 3.71Å; T293-Y296 HydrophobicContact CG2-CE1 4.05Å; T293-Y296 HydrophobicContact CG2-CE2 3.4Å; T293-Y296 VanDerWaalsContact CG2-CE2 3.4Å; T293-Y296 HydrophobicContact CG2-CG 4.11Å; T293-Y296 PolarHBondContact O-N 3.37Å
294T91.6Very high94.8Very high85 Ų8553.9 Ų53.952%0.52126%0.26SS..G310 helixtrans-49.4-40-171.8-67.70000114.6Y296 R297T294-Y296 PolarHBondContact O-N 3.1Å; T294-Y296 VanDerWaalsContact O-N 3.15Å; T294-R297 WeakPolarHBondContact O-CB 3.35Å; T294-R297 WeakPolarHBondContact O-CG 3.34Å; T294-R297 PolarHBondContact O-N 2.83Å; T294-R297 VanDerWaalsContact O-N 3.13Å
295R91.7Very high94.7Very high129 Ų12957.9 Ų57.949%0.48728%0.284SS..G310 helixtrans-61.4-21.7-17963178.3-174.5-170.210.3114.1L265 L266 T293 R297 I298L265-R295 PolarHBondContact O-NH2 3.31Å; L266-R295 VanDerWaalsContact C-NH2 3.3Å; L266-R295 PolarHBondContact O-NH2 2.89Å; T293-R295 VanDerWaalsContact C-N 3.25Å; T293-R295 HydrophobicContact CG2-CG 3.81Å; T293-R295 PolarHBondContact O-N 3.17Å; T293-R295 VanDerWaalsContact O-N 3.08Å; R295-R297 PolarHBondContact O-N 2.88Å; R295-I298 WeakPolarHBondContact O-CG2 3.43Å; R295-I298 PolarHBondContact O-N 2.93Å
296Y93.6Very high94.7Very high10 Ų1058.2 Ų58.24%0.03929%0.285CS..G310 helixtrans-77.6-0.4178.4-58.3-24000114.1F249 L266 F267 P268 T293 T294 I298 L299 P300F249-Y296 HydrophobicContact CB-CD2 3.68Å; F249-Y296 HydrophobicContact CB-CE2 3.51Å; F249-Y296 HydrophobicContact CD1-CD2 4.27Å; F249-Y296 AromaticContact CD1-CE2 3.4Å; F249-Y296 HydrophobicContact CD1-CE2 3.4Å; F249-Y296 VanDerWaalsContact CD1-CE2 3.4Å; F249-Y296 AromaticContact CD1-CZ 3.95Å; F249-Y296 HydrophobicContact CD2-CE2 4.44Å; F249-Y296 HydrophobicContact CE1-CE2 4.28Å; F249-Y296 AromaticContact CG-CD2 3.9Å; F249-Y296 HydrophobicContact CG-CD2 3.9Å; F249-Y296 AromaticContact CG-CE2 3.49Å; F249-Y296 HydrophobicContact CG-CE2 3.49Å; F249-Y296 VanDerWaalsContact CG-CE2 3.49Å; L266-Y296 PolarHBondContact O-OH 2.84Å; F267-Y296 VanDerWaalsContact CA-OH 3.29Å; F267-Y296 WeakPolarHBondContact CA-OH 3.4Å; F267-Y296 HydrophobicContact CD1-CE1 4.05Å; F267-Y296 HydrophobicContact CE1-CE1 4.45Å; P268-Y296 VanDerWaalsContact CD-OH 3.23Å; P268-Y296 WeakPolarHBondContact CD-OH 3.21Å; T293-Y296 VanDerWaalsContact CB-CD2 3.45Å; T293-Y296 VanDerWaalsContact CB-CE2 3.45Å; T293-Y296 HydrophobicContact CG2-CD1 4.3Å; T293-Y296 HydrophobicContact CG2-CD2 3.71Å; T293-Y296 HydrophobicContact CG2-CE1 4.05Å; T293-Y296 HydrophobicContact CG2-CE2 3.4Å; T293-Y296 VanDerWaalsContact CG2-CE2 3.4Å; T293-Y296 HydrophobicContact CG2-CG 4.11Å; T293-Y296 PolarHBondContact O-N 3.37Å; T294-Y296 PolarHBondContact O-N 3.1Å; T294-Y296 VanDerWaalsContact O-N 3.15Å; Y296-I298 PolarHBondContact O-N 2.92Å; Y296-L299 HydrophobicContact CD1-CD1 4.1Å; Y296-L299 HydrophobicContact CG-CD1 4.06Å; Y296-L299 PolarHBondContact O-N 3.48Å; Y296-L299 VanDerWaalsContact O-N 3.15Å; Y296-P300 WeakPolarHBondContact O-CD 3.29Å
297R94.1Very high94.7Very high83 Ų8360.2 Ų60.231%0.31330%0.301SS..G310 helixtrans-56.6-26.4164.9-77.8-173.9171.587.8-1.4112.9V289 Y291 T294 R295 L299 P300V289-R297 PolarHBondContact O-NH2 3.25Å; Y291-R297 HydrophobicContact CD1-CB 4.48Å; Y291-R297 HydrophobicContact CD1-CG 3.75Å; Y291-R297 HydrophobicContact CD2-CG 3.37Å; Y291-R297 HydrophobicContact CE1-CB 4.45Å; Y291-R297 HydrophobicContact CE1-CG 3.96Å; Y291-R297 HydrophobicContact CE2-CG 3.62Å; Y291-R297 HydrophobicContact CG-CG 3.44Å; Y291-R297 VanDerWaalsContact CG-CG 3.44Å; T294-R297 WeakPolarHBondContact O-CB 3.35Å; T294-R297 WeakPolarHBondContact O-CG 3.34Å; T294-R297 PolarHBondContact O-N 2.83Å; T294-R297 VanDerWaalsContact O-N 3.13Å; R295-R297 PolarHBondContact O-N 2.88Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-P300 WeakPolarHBondContact O-CD 3.44Å
298I94.7Very high94.7Very high82 Ų8263.1 Ų63.142%0.42132%0.322SS..Hα-helixtrans-71.7-26.2178.7-16157.1000112.8R295 Y296 I301 L302R295-I298 WeakPolarHBondContact O-CG2 3.43Å; R295-I298 PolarHBondContact O-N 2.93Å; Y296-I298 PolarHBondContact O-N 2.92Å; I298-I301 HydrophobicContact CD1-CB 4.34Å; I298-I301 HydrophobicContact CD1-CD1 4.38Å; I298-I301 HydrophobicContact CD1-CG2 4.42Å; I298-I301 WeakPolarHBondContact O-CB 3.49Å; I298-I301 PolarHBondContact O-N 3.07Å; I298-I301 VanDerWaalsContact O-N 3.13Å; I298-L302 HydrophobicContact CG1-CD1 4.23Å; I298-L302 HydrophobicContact CG1-CD2 4.48Å; I298-L302 HydrophobicContact CG1-CG 4.08Å; I298-L302 HydrophobicContact CG2-CD1 4.4Å; I298-L302 WeakPolarHBondContact O-CG 3.39Å; I298-L302 PolarHBondContact O-N 3.37Å
299L93.7Very high94.7Very high38 Ų3867.6 Ų67.620%0.19934%0.343CS..Hα-helixtrans-64.5-47.4-170.7-56.4175.5000113I202 V206 F267 Y296 R297 I301 L302 Q303I202-L299 HydrophobicContact CG1-CD1 4.39Å; V206-L299 HydrophobicContact CG2-CB 3.81Å; F267-L299 HydrophobicContact CE1-CD1 4.43Å; F267-L299 HydrophobicContact CE1-CD2 4.5Å; Y296-L299 HydrophobicContact CD1-CD1 4.1Å; Y296-L299 HydrophobicContact CG-CD1 4.06Å; Y296-L299 PolarHBondContact O-N 3.48Å; Y296-L299 VanDerWaalsContact O-N 3.15Å; R297-L299 VanDerWaalsContact C-N 3.33Å; L299-I301 VanDerWaalsContact C-N 3.25Å; L299-I301 PolarHBondContact O-N 3.47Å; L299-L302 PolarHBondContact O-N 3.08Å; L299-Q303 PolarHBondContact O-N 3.14Å; L299-Q303 VanDerWaalsContact O-N 3.08Å
300P94.5Very high94.7Very high18 Ų1870 Ų7012%0.11735%0.353CS..Hα-helixtrans-63-31.9174.1-20.833.3000112.9I202 R205 V206 Y296 R297 Q303 I304I202-P300 HydrophobicContact CD1-CG 4.42Å; R205-P300 HydrophobicContact CB-CB 4.22Å; R205-P300 HydrophobicContact CB-CG 3.78Å; R205-P300 HydrophobicContact CG-CG 4.39Å; V206-P300 HydrophobicContact CG2-CB 4.49Å; V206-P300 HydrophobicContact CG2-CG 4Å; Y296-P300 WeakPolarHBondContact O-CD 3.29Å; R297-P300 WeakPolarHBondContact O-CD 3.44Å; P300-Q303 PolarHBondContact O-N 3.1Å; P300-I304 WeakPolarHBondContact O-CG1 3.5Å; P300-I304 PolarHBondContact O-N 3.21Å
301I95.1Very high94.6Very high83 Ų8371 Ų7143%0.42636%0.358SS..Hα-helixtrans-66.5-45.3177.2-61.6172.2000110I298 L299 Q303 I304 L305I298-I301 HydrophobicContact CD1-CB 4.34Å; I298-I301 HydrophobicContact CD1-CD1 4.38Å; I298-I301 HydrophobicContact CD1-CG2 4.42Å; I298-I301 WeakPolarHBondContact O-CB 3.49Å; I298-I301 PolarHBondContact O-N 3.07Å; I298-I301 VanDerWaalsContact O-N 3.13Å; L299-I301 VanDerWaalsContact C-N 3.25Å; L299-I301 PolarHBondContact O-N 3.47Å; I301-Q303 VanDerWaalsContact C-N 3.27Å; I301-Q303 PolarHBondContact O-N 3.12Å; I301-I304 PolarHBondContact O-N 2.94Å; I301-I304 VanDerWaalsContact O-N 3.13Å; I301-L305 HydrophobicContact CG2-CD1 3.67Å; I301-L305 HydrophobicContact CG2-CG 4.26Å; I301-L305 WeakPolarHBondContact O-CG 3.27Å; I301-L305 PolarHBondContact O-N 2.77Å
302L93.9Very high94.5Very high57 Ų5774.9 Ų74.930%0.29838%0.377SS..Hα-helixtrans-59.9-39.6175.4-66.5174000111.5I298 L299 I304 L305 L306I298-L302 HydrophobicContact CG1-CD1 4.23Å; I298-L302 HydrophobicContact CG1-CD2 4.48Å; I298-L302 HydrophobicContact CG1-CG 4.08Å; I298-L302 HydrophobicContact CG2-CD1 4.4Å; I298-L302 WeakPolarHBondContact O-CG 3.39Å; I298-L302 PolarHBondContact O-N 3.37Å; L299-L302 PolarHBondContact O-N 3.08Å; L302-I304 PolarHBondContact O-N 3.43Å; L302-L305 PolarHBondContact O-N 3.45Å; L302-L306 HydrophobicContact CB-CD1 4.06Å; L302-L306 HydrophobicContact CB-CG 4.44Å; L302-L306 HydrophobicContact CD2-CD1 4.17Å; L302-L306 HydrophobicContact CD2-CG 4.48Å; L302-L306 VanDerWaalsContact O-CB 3.3Å; L302-L306 WeakPolarHBondContact O-CB 3.39Å; L302-L306 VanDerWaalsContact O-CG 3.26Å; L302-L306 WeakPolarHBondContact O-CG 3.46Å; L302-L306 PolarHBondContact O-N 2.83Å
303Q92.2Very high94.5Very high75 Ų7578.3 Ų78.335%0.3540%0.4SS..Hα-helixtrans-62.6-30.7177.1-168.8176.63.400113.3R205 L299 P300 I301R205-Q303 PolarHBondContact O-OE1 2.95Å; L299-Q303 PolarHBondContact O-N 3.14Å; L299-Q303 VanDerWaalsContact O-N 3.08Å; P300-Q303 PolarHBondContact O-N 3.1Å; I301-Q303 VanDerWaalsContact C-N 3.27Å; I301-Q303 PolarHBondContact O-N 3.12Å
304I95Very high94.5Very high144 Ų14480.8 Ų80.874%0.73841%0.412SS*.Hα-helixtrans-78.9-39.7176.1-66.9165.5000111.3P300 I301 L302P300-I304 WeakPolarHBondContact O-CG1 3.5Å; P300-I304 PolarHBondContact O-N 3.21Å; I301-I304 PolarHBondContact O-N 2.94Å; I301-I304 VanDerWaalsContact O-N 3.13Å; L302-I304 PolarHBondContact O-N 3.43Å
305L96.1Very high94.5Very high126 Ų12679.5 Ų79.566%0.6640%0.398SS*.Hα-helixtrans-86.4-31-171.1-66177.9000114.2I301 L302I301-L305 HydrophobicContact CG2-CD1 3.67Å; I301-L305 HydrophobicContact CG2-CG 4.26Å; I301-L305 WeakPolarHBondContact O-CG 3.27Å; I301-L305 PolarHBondContact O-N 2.77Å; L302-L305 PolarHBondContact O-N 3.45Å
306L95.9Very high94.6Very high41 Ų4180 Ų8022%0.21541%0.406CS..SBendtrans-93143.4-171.7-57.9-178.8000112.1L302 M310 I311 L314L302-L306 HydrophobicContact CB-CD1 4.06Å; L302-L306 HydrophobicContact CB-CG 4.44Å; L302-L306 HydrophobicContact CD2-CD1 4.17Å; L302-L306 HydrophobicContact CD2-CG 4.48Å; L302-L306 VanDerWaalsContact O-CB 3.3Å; L302-L306 WeakPolarHBondContact O-CB 3.39Å; L302-L306 VanDerWaalsContact O-CG 3.26Å; L302-L306 WeakPolarHBondContact O-CG 3.46Å; L302-L306 PolarHBondContact O-N 2.83Å; L306-M310 HydrophobicContact CB-CB 4.47Å; L306-M310 HydrophobicContact CB-CG 4.46Å; L306-M310 HydrophobicContact CB-SD 4.16Å; L306-M310 HydrophobicContact CD1-CE 3.74Å; L306-M310 HydrophobicContact CD1-CG 4.22Å; L306-M310 HydrophobicContact CD1-SD 3.95Å; L306-M310 HydrophobicContact CD2-CE 3.83Å; L306-M310 HydrophobicContact CD2-SD 3.66Å; L306-M310 HydrophobicContact CG-CE 4.36Å; L306-M310 HydrophobicContact CG-SD 4.12Å; L306-I311 HydrophobicContact CB-CD1 3.75Å; L306-I311 HydrophobicContact CB-CG1 4.06Å; L306-I311 HydrophobicContact CD1-CD1 3.96Å; L306-I311 HydrophobicContact CG-CD1 4.35Å; L306-L314 HydrophobicContact CD1-CD1 3.76Å
307P96.7Very high94.5Very high92 Ų9285.7 Ų85.760%0.59743%0.428SS*.  trans-59.5148.3173.1-23.433.6000112.8K309 M310 I311P307-K309 VanDerWaalsContact C-N 3.29Å; P307-K309 PolarHBondContact O-N 3.32Å; P307-K309 VanDerWaalsContact O-N 3.14Å; P307-M310 WeakPolarHBondContact O-CA 3.3Å; P307-M310 WeakPolarHBondContact O-CB 3.24Å; P307-M310 PolarHBondContact O-N 3.47Å; P307-I311 PolarHBondContact O-N 3.4Å; P307-I311 VanDerWaalsContact O-N 3.09Å
308T95.5Very high94.3Very high99 Ų9982.3 Ų82.361%0.60742%0.418SS*.Hα-helixtrans-50.3-43.5-177.3-52.10000113.8M310 I311 H312T308-M310 VanDerWaalsContact C-N 3.31Å; T308-M310 PolarHBondContact O-N 3.11Å; T308-I311 WeakPolarHBondContact O-CB 3.24Å; T308-I311 PolarHBondContact O-N 2.95Å; T308-H312 WeakPolarHBondContact CG2-NE2 3.36Å; T308-H312 PolarHBondContact O-CD2 3.45Å; T308-H312 VanDerWaalsContact O-CD2 3.25Å; T308-H312 VanDerWaalsContact O-CG 3.31Å; T308-H312 PolarHBondContact O-N 3.33Å
309K96.7Very high94.1Very high176 Ų17681.4 Ų81.477%0.76541%0.414SS*.Hα-helixtrans-62.5-37.6178.1-69.7-174.4177.7-179.60112.7P307 H312 C313P307-K309 VanDerWaalsContact C-N 3.29Å; P307-K309 PolarHBondContact O-N 3.32Å; P307-K309 VanDerWaalsContact O-N 3.14Å; K309-H312 WeakPolarHBondContact O-CB 3.45Å; K309-H312 PolarHBondContact O-N 3.35Å; K309-C313 PolarHBondContact O-N 2.93Å; K309-C313 PolarHBondContact O-SG 3.25Å
310M96.4Very high93.7Very high92 Ų9280.6 Ų80.645%0.45341%0.411SS..Hα-helixtrans-68.9-39.6176.7-175.1174.617400111L306 P307 T308 H312 C313 L314L306-M310 HydrophobicContact CB-CB 4.47Å; L306-M310 HydrophobicContact CB-CG 4.46Å; L306-M310 HydrophobicContact CB-SD 4.16Å; L306-M310 HydrophobicContact CD1-CE 3.74Å; L306-M310 HydrophobicContact CD1-CG 4.22Å; L306-M310 HydrophobicContact CD1-SD 3.95Å; L306-M310 HydrophobicContact CD2-CE 3.83Å; L306-M310 HydrophobicContact CD2-SD 3.66Å; L306-M310 HydrophobicContact CG-CE 4.36Å; L306-M310 HydrophobicContact CG-SD 4.12Å; P307-M310 WeakPolarHBondContact O-CA 3.3Å; P307-M310 WeakPolarHBondContact O-CB 3.24Å; P307-M310 PolarHBondContact O-N 3.47Å; T308-M310 VanDerWaalsContact C-N 3.31Å; T308-M310 PolarHBondContact O-N 3.11Å; M310-H312 VanDerWaalsContact C-N 3.31Å; M310-H312 PolarHBondContact O-N 3.18Å; M310-C313 WeakPolarHBondContact O-CB 3.49Å; M310-C313 PolarHBondContact O-N 2.97Å; M310-L314 WeakPolarHBondContact O-CG 3.45Å; M310-L314 PolarHBondContact O-N 2.81Å
311I94.7Very high93.2Very high20 Ų2080.7 Ų80.710%0.10341%0.414CS..Hα-helixtrans-59.5-43172.2-65.1-58.8000111L306 P307 T308 C313 L314 Y315L306-I311 HydrophobicContact CB-CD1 3.75Å; L306-I311 HydrophobicContact CB-CG1 4.06Å; L306-I311 HydrophobicContact CD1-CD1 3.96Å; L306-I311 HydrophobicContact CG-CD1 4.35Å; P307-I311 PolarHBondContact O-N 3.4Å; P307-I311 VanDerWaalsContact O-N 3.09Å; T308-I311 WeakPolarHBondContact O-CB 3.24Å; T308-I311 PolarHBondContact O-N 2.95Å; I311-C313 PolarHBondContact O-N 3.45Å; I311-L314 HydrophobicContact CD1-CD1 4.25Å; I311-L314 WeakPolarHBondContact O-CB 3.43Å; I311-L314 PolarHBondContact O-N 3.01Å; I311-L314 VanDerWaalsContact O-N 3.14Å; I311-Y315 HydrophobicContact CG2-CD2 3.65Å; I311-Y315 HydrophobicContact CG2-CE2 3.47Å; I311-Y315 VanDerWaalsContact CG2-CE2 3.47Å; I311-Y315 VanDerWaalsContact O-CD2 3.26Å; I311-Y315 WeakPolarHBondContact O-CD2 3.28Å; I311-Y315 PolarHBondContact O-N 2.97Å
312H94Very high93Very high100 Ų10079 Ų7946%0.46341%0.405SS..Hα-helixtrans-59.9-44.2175.2-63.8179.1000112T308 K309 M310 L314 Y315 E316T308-H312 WeakPolarHBondContact CG2-NE2 3.36Å; T308-H312 PolarHBondContact O-CD2 3.45Å; T308-H312 VanDerWaalsContact O-CD2 3.25Å; T308-H312 VanDerWaalsContact O-CG 3.31Å; T308-H312 PolarHBondContact O-N 3.33Å; K309-H312 WeakPolarHBondContact O-CB 3.45Å; K309-H312 PolarHBondContact O-N 3.35Å; M310-H312 VanDerWaalsContact C-N 3.31Å; M310-H312 PolarHBondContact O-N 3.18Å; H312-L314 VanDerWaalsContact C-N 3.28Å; H312-L314 PolarHBondContact O-N 3.37Å; H312-Y315 WeakPolarHBondContact O-CB 3.25Å; H312-Y315 PolarHBondContact O-N 3.36Å; H312-Y315 VanDerWaalsContact O-N 3.1Å; H312-E316 WeakPolarHBondContact O-CG 3.28Å; H312-E316 PolarHBondContact O-N 3.45Å
313C94.7Very high92.8Very high73 Ų7376.9 Ų76.949%0.49339%0.393SS..Hα-helixtrans-59.4-38174.4-64.20000112.5K309 M310 I311 E316 Y317K309-C313 PolarHBondContact O-N 2.93Å; K309-C313 PolarHBondContact O-SG 3.25Å; M310-C313 WeakPolarHBondContact O-CB 3.49Å; M310-C313 PolarHBondContact O-N 2.97Å; I311-C313 PolarHBondContact O-N 3.45Å; C313-E316 PolarHBondContact O-N 2.73Å; C313-Y317 VanDerWaalsContact O-CB 3.29Å; C313-Y317 WeakPolarHBondContact O-CB 3.32Å; C313-Y317 PolarHBondContact O-N 2.73Å
314L93.1Very high92.8Very high74 Ų7473.3 Ų73.339%0.38738%0.377SS..Hα-helixtrans-65.6-39.9174.8-68.1176.7000111.9L306 M310 I311 H312 Y317 A318L306-L314 HydrophobicContact CD1-CD1 3.76Å; M310-L314 WeakPolarHBondContact O-CG 3.45Å; M310-L314 PolarHBondContact O-N 2.81Å; I311-L314 HydrophobicContact CD1-CD1 4.25Å; I311-L314 WeakPolarHBondContact O-CB 3.43Å; I311-L314 PolarHBondContact O-N 3.01Å; I311-L314 VanDerWaalsContact O-N 3.14Å; H312-L314 VanDerWaalsContact C-N 3.28Å; H312-L314 PolarHBondContact O-N 3.37Å; L314-Y317 PolarHBondContact O-N 3.44Å; L314-A318 VanDerWaalsContact O-CB 3.27Å; L314-A318 WeakPolarHBondContact O-CB 3.16Å; L314-A318 PolarHBondContact O-N 2.91Å
315Y92.9Very high92.6Very high57 Ų5771 Ų7122%0.22437%0.366CS..Hα-helixtrans-65.1-43.6175.2-85.5-69.3000112.7V206 P207 I311 H312 Y317 A318 N319V206-Y315 VanDerWaalsContact CG1-OH 3.27Å; V206-Y315 WeakPolarHBondContact CG1-OH 3.48Å; P207-Y315 VanDerWaalsContact CD-OH 3.27Å; P207-Y315 WeakPolarHBondContact CD-OH 3.47Å; P207-Y315 WeakPolarHBondContact O-CE1 3.18Å; P207-Y315 VanDerWaalsContact O-CZ 3.29Å; P207-Y315 PolarHBondContact O-OH 3.18Å; I311-Y315 HydrophobicContact CG2-CD2 3.65Å; I311-Y315 HydrophobicContact CG2-CE2 3.47Å; I311-Y315 VanDerWaalsContact CG2-CE2 3.47Å; I311-Y315 VanDerWaalsContact O-CD2 3.26Å; I311-Y315 WeakPolarHBondContact O-CD2 3.28Å; I311-Y315 PolarHBondContact O-N 2.97Å; H312-Y315 WeakPolarHBondContact O-CB 3.25Å; H312-Y315 PolarHBondContact O-N 3.36Å; H312-Y315 VanDerWaalsContact O-N 3.1Å; Y315-Y317 VanDerWaalsContact C-N 3.34Å; Y315-A318 PolarHBondContact O-N 3.1Å; Y315-N319 WeakPolarHBondContact O-CA 3.32Å; Y315-N319 PolarHBondContact O-N 3.15Å
316E92.4Very high92.5Very high141 Ų14167 Ų6766%0.65934%0.344SS*.Hα-helixtrans-62-43.3174.3-71.7172.3-176.300111.2H312 C313 N319H312-E316 WeakPolarHBondContact O-CG 3.28Å; H312-E316 PolarHBondContact O-N 3.45Å; C313-E316 PolarHBondContact O-N 2.73Å; E316-N319 PolarHBondContact O-N 3.28Å
317Y92.5Very high92.3Very high129 Ų12965.2 Ų65.251%0.50634%0.335SS..Hα-helixtrans-61.9-48.3176.9-178.8-101.7000111.8K262 H263 L266 C313 L314 Y315 N319K262-Y317 PolarHBondContact NZ-O 3.32Å; K262-Y317 VanDerWaalsContact NZ-O 3.1Å; H263-Y317 AromaticContact CD2-CE1 3.82Å; H263-Y317 AromaticContact CE1-CE1 3.8Å; H263-Y317 AromaticContact CE1-CE2 3.96Å; H263-Y317 AromaticContact CE1-CZ 3.48Å; H263-Y317 VanDerWaalsContact CE1-CZ 3.48Å; H263-Y317 PolarHBondContact CE1-OH 3.12Å; H263-Y317 AromaticContact NE2-CD1 3.75Å; H263-Y317 AromaticContact NE2-CE1 3.41Å; H263-Y317 WeakPolarHBondContact NE2-CE1 3.27Å; H263-Y317 AromaticContact NE2-CE2 3.93Å; H263-Y317 AromaticContact NE2-CZ 3.51Å; H263-Y317 PolarHBondContact NE2-O 2.84Å; L266-Y317 HydrophobicContact CD1-CE1 4.32Å; C313-Y317 VanDerWaalsContact O-CB 3.29Å; C313-Y317 WeakPolarHBondContact O-CB 3.32Å; C313-Y317 PolarHBondContact O-N 2.73Å; L314-Y317 PolarHBondContact O-N 3.44Å; Y315-Y317 VanDerWaalsContact C-N 3.34Å; Y317-N319 VanDerWaalsContact C-N 3.29Å; Y317-N319 PolarHBondContact O-N 3.17Å
318A90.6Very high92Very high11 Ų1163.3 Ų63.39%0.09132%0.317CS..Hα-helixtrans-68.5-27.6177.700000113F267 L314 Y315 T320F267-A318 HydrophobicContact CE2-CB 4.26Å; L314-A318 VanDerWaalsContact O-CB 3.27Å; L314-A318 WeakPolarHBondContact O-CB 3.16Å; L314-A318 PolarHBondContact O-N 2.91Å; Y315-A318 PolarHBondContact O-N 3.1Å; A318-T320 HydrophobicContact CB-CG2 4.16Å; A318-T320 PolarHBondContact O-N 2.87Å
319N89.4Confident91.8Very high64 Ų6465 Ų6534%0.34232%0.322SS..THydrogen-bonded Turntrans52.147.7-178.5-163.926.3000113.8K262 Y315 E316 Y317 G321 M322K262-N319 HydrophobicContact CB-CB 4.47Å; K262-N319 HydrophobicContact CD-CB 3.54Å; Y315-N319 WeakPolarHBondContact O-CA 3.32Å; Y315-N319 PolarHBondContact O-N 3.15Å; E316-N319 PolarHBondContact O-N 3.28Å; Y317-N319 VanDerWaalsContact C-N 3.29Å; Y317-N319 PolarHBondContact O-N 3.17Å; N319-G321 PolarHBondContact O-N 3.05Å; N319-M322 WeakPolarHBondContact O-CB 3.38Å; N319-M322 PolarHBondContact O-N 2.74Å
320T84.9Confident91.5Very high21 Ų2159.6 Ų59.613%0.12930%0.297CS..THydrogen-bonded Turntrans-65.4-20-178.156.20000113.4A318 M322 Y323A318-T320 HydrophobicContact CB-CG2 4.16Å; A318-T320 PolarHBondContact O-N 2.87Å; T320-M322 PolarHBondContact O-N 2.65Å; T320-Y323 HydrophobicContact CG2-CE2 4.05Å; T320-Y323 WeakPolarHBondContact O-CB 3.36Å; T320-Y323 VanDerWaalsContact O-CG 3.29Å; T320-Y323 PolarHBondContact O-N 3.03Å; T320-Y323 VanDerWaalsContact O-N 3.12Å
321G84.5Confident91.2Very high19 Ų1958 Ų5820%0.19629%0.286CS..THydrogen-bonded Turntrans-59.9-30.1174.700000113.1N319 Y323 V324N319-G321 PolarHBondContact O-N 3.05Å; G321-Y323 PolarHBondContact O-N 2.63Å; G321-Y323 VanDerWaalsContact O-N 3.1Å; G321-V324 WeakPolarHBondContact O-CB 3.31Å; G321-V324 PolarHBondContact O-N 3.09Å; G321-V324 VanDerWaalsContact O-N 3.17Å
322M89.9Confident90.9Very high48 Ų4865.1 Ų65.124%0.23632%0.316CS..Hα-helixtrans-59.5-23.3175.8-175.1-179.262.200113.1T260 K262 N319 T320 V324 D325 Q326T260-M322 WeakPolarHBondContact O-CE 3.39Å; K262-M322 HydrophobicContact CB-CE 4.15Å; N319-M322 WeakPolarHBondContact O-CB 3.38Å; N319-M322 PolarHBondContact O-N 2.74Å; T320-M322 PolarHBondContact O-N 2.65Å; M322-V324 VanDerWaalsContact C-N 3.25Å; M322-V324 PolarHBondContact O-N 2.7Å; M322-D325 PolarHBondContact O-N 3.2Å; M322-Q326 HydrophobicContact CG-CG 4.05Å; M322-Q326 WeakPolarHBondContact O-CB 3.17Å; M322-Q326 VanDerWaalsContact O-CG 3.27Å; M322-Q326 WeakPolarHBondContact O-CG 3.27Å; M322-Q326 PolarHBondContact O-N 3.39Å
323Y91.3Very high90.7Very high12 Ų1269 Ų695%0.04733%0.331CS..Hα-helixtrans-63.8-35.4-179.8-60.6-10.5000111.6L250 V259 T320 G321 L327L250-Y323 HydrophobicContact CD1-CD2 4.23Å; L250-Y323 HydrophobicContact CD1-CE2 4.03Å; V259-Y323 HydrophobicContact CG1-CD1 3.41Å; V259-Y323 VanDerWaalsContact CG1-CD1 3.41Å; V259-Y323 HydrophobicContact CG1-CD2 4.28Å; V259-Y323 HydrophobicContact CG1-CE1 4Å; V259-Y323 HydrophobicContact CG1-CG 3.59Å; T320-Y323 HydrophobicContact CG2-CE2 4.05Å; T320-Y323 WeakPolarHBondContact O-CB 3.36Å; T320-Y323 VanDerWaalsContact O-CG 3.29Å; T320-Y323 PolarHBondContact O-N 3.03Å; T320-Y323 VanDerWaalsContact O-N 3.12Å; G321-Y323 PolarHBondContact O-N 2.63Å; G321-Y323 VanDerWaalsContact O-N 3.1Å; Y323-L327 WeakPolarHBondContact O-CB 3.3Å; Y323-L327 VanDerWaalsContact O-CG 3.24Å; Y323-L327 WeakPolarHBondContact O-CG 3.39Å; Y323-L327 PolarHBondContact O-N 3.42Å
324V90.6Very high90.3Very high0 Ų069.2 Ų69.20%033%0.33CS..Hα-helixtrans-65.6-49.3178.1176.30000109.8A140 A209 G321 M322 Q326 L327 K328A140-V324 WeakPolarHBondContact O-CG1 3.22Å; A209-V324 WeakPolarHBondContact O-CG2 3.36Å; G321-V324 WeakPolarHBondContact O-CB 3.31Å; G321-V324 PolarHBondContact O-N 3.09Å; G321-V324 VanDerWaalsContact O-N 3.17Å; M322-V324 VanDerWaalsContact C-N 3.25Å; M322-V324 PolarHBondContact O-N 2.7Å; V324-Q326 VanDerWaalsContact C-N 3.35Å; V324-Q326 PolarHBondContact O-N 3.44Å; V324-L327 PolarHBondContact O-N 2.88Å; V324-K328 HydrophobicContact CG1-CD 4.3Å; V324-K328 WeakPolarHBondContact O-CG 3.3Å; V324-K328 PolarHBondContact O-N 3.22Å
325D91.6Very high89.4Confident97 Ų9768.6 Ų68.652%0.51934%0.342SS..Hα-helixtrans-62.2-43.1178.6-61.2-34.9000111.6M322 L327 K328 L329M322-D325 PolarHBondContact O-N 3.2Å; D325-L327 PolarHBondContact O-N 2.87Å; D325-K328 PolarHBondContact O-N 3.42Å; D325-L329 VanDerWaalsContact O-CB 3.27Å; D325-L329 WeakPolarHBondContact O-CB 3.29Å; D325-L329 PolarHBondContact O-N 2.98Å
326Q93.5Very high88.1Confident40 Ų4068.7 Ų68.719%0.18736%0.355CS..Hα-helixtrans-60.8-43.2175.5-75.2175.1-19.500111.9V259 T260 M322 V324 Y330V259-Q326 HydrophobicContact CG2-CB 4.43Å; T260-Q326 PolarHBondContact O-NE2 3.06Å; T260-Q326 PolarHBondContact O-OE1 2.9Å; M322-Q326 HydrophobicContact CG-CG 4.05Å; M322-Q326 WeakPolarHBondContact O-CB 3.17Å; M322-Q326 VanDerWaalsContact O-CG 3.27Å; M322-Q326 WeakPolarHBondContact O-CG 3.27Å; M322-Q326 PolarHBondContact O-N 3.39Å; V324-Q326 VanDerWaalsContact C-N 3.35Å; V324-Q326 PolarHBondContact O-N 3.44Å; Q326-Y330 WeakPolarHBondContact O-CB 3.41Å; Q326-Y330 PolarHBondContact O-N 3.48Å
327L92.3Very high86.1Confident4 Ų468.6 Ų68.62%0.02135%0.352CS..Hα-helixtrans-65.6-46.9177.1-78.2170.2000112M138 A140 M255 V259 Y323 V324 D325 L329 Y330 R331M138-L327 HydrophobicContact CE-CD1 4.37Å; A140-L327 HydrophobicContact CB-CB 4.17Å; A140-L327 HydrophobicContact CB-CD1 3.54Å; A140-L327 HydrophobicContact CB-CG 4.48Å; M255-L327 WeakPolarHBondContact O-CD2 3.4Å; V259-L327 HydrophobicContact CG2-CD1 4.05Å; V259-L327 HydrophobicContact CG2-CD2 3.57Å; V259-L327 HydrophobicContact CG2-CG 3.42Å; V259-L327 VanDerWaalsContact CG2-CG 3.42Å; Y323-L327 WeakPolarHBondContact O-CB 3.3Å; Y323-L327 VanDerWaalsContact O-CG 3.24Å; Y323-L327 WeakPolarHBondContact O-CG 3.39Å; Y323-L327 PolarHBondContact O-N 3.42Å; V324-L327 PolarHBondContact O-N 2.88Å; D325-L327 PolarHBondContact O-N 2.87Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 2.95Å; L327-Y330 PolarHBondContact O-N 3.04Å; L327-R331 WeakPolarHBondContact O-CB 3.38Å; L327-R331 VanDerWaalsContact O-CG 3.3Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 3.25Å
328K90.3Very high83.3Confident53 Ų5371 Ų7123%0.2339%0.388CS..Hα-helixtrans-59.2-46.7177.1-74.6-176.1173.8-169.50110.9D141 V324 D325 Y330 R331 K332D141-K328 VanDerWaalsContact OD1-CE 3.22Å; D141-K328 WeakPolarHBondContact OD1-CE 3.42Å; D141-K328 IonicContact OD1-NZ 2.77Å; D141-K328 PolarHBondContact OD1-NZ 3.45Å; D141-K328 WeakPolarHBondContact OD2-CE 3.47Å; D141-K328 IonicContact OD2-NZ 3.74Å; D141-K328 PolarHBondContact OD2-NZ 3.28Å; D141-K328 VanDerWaalsContact OD2-NZ 3.09Å; V324-K328 HydrophobicContact CG1-CD 4.3Å; V324-K328 WeakPolarHBondContact O-CG 3.3Å; V324-K328 PolarHBondContact O-N 3.22Å; D325-K328 PolarHBondContact O-N 3.42Å; K328-Y330 PolarHBondContact O-N 3.35Å; K328-R331 PolarHBondContact O-N 2.99Å; K328-K332 WeakPolarHBondContact O-CB 3.35Å; K328-K332 PolarHBondContact O-N 2.97Å
329L91.6Very high83Confident135 Ų13574.1 Ų74.171%0.70740%0.403SS*.Hα-helixtrans-59-47176.9-170.695.4000111.4D325 L327 K332 K333D325-L329 VanDerWaalsContact O-CB 3.27Å; D325-L329 WeakPolarHBondContact O-CB 3.29Å; D325-L329 PolarHBondContact O-N 2.98Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 2.95Å; L329-K332 PolarHBondContact O-N 3.38Å; L329-K333 PolarHBondContact O-N 3.47Å
330Y90.6Very high82.6Confident62 Ų6274.6 Ų74.624%0.24341%0.407CS..Hα-helixtrans-63.6-49179.7-177.8-99.4000112K257 Q326 L327 K328 K332 K333 V334K257-Y330 HydrophobicContact CB-CD1 4.24Å; K257-Y330 HydrophobicContact CB-CE1 3.73Å; K257-Y330 HydrophobicContact CD-CE1 4.06Å; K257-Y330 WeakPolarHBondContact CD-OH 3.17Å; K257-Y330 VanDerWaalsContact CE-OH 3.25Å; K257-Y330 WeakPolarHBondContact CE-OH 3.44Å; K257-Y330 HydrophobicContact CG-CE1 3.87Å; K257-Y330 HydrophobicContact CG-CE2 4.13Å; K257-Y330 VanDerWaalsContact O-CD1 3.28Å; K257-Y330 WeakPolarHBondContact O-CD1 3.15Å; Q326-Y330 WeakPolarHBondContact O-CB 3.41Å; Q326-Y330 PolarHBondContact O-N 3.48Å; L327-Y330 PolarHBondContact O-N 3.04Å; K328-Y330 PolarHBondContact O-N 3.35Å; Y330-K332 VanDerWaalsContact C-N 3.31Å; Y330-K332 PolarHBondContact O-N 3.06Å; Y330-K333 WeakPolarHBondContact O-CB 3.5Å; Y330-K333 PolarHBondContact O-N 3.27Å; Y330-V334 HydrophobicContact CD1-CG2 4.49Å; Y330-V334 HydrophobicContact CE1-CG1 4.03Å; Y330-V334 HydrophobicContact CE1-CG2 4.2Å; Y330-V334 HydrophobicContact CE2-CG1 4.03Å; Y330-V334 WeakPolarHBondContact O-CG2 3.42Å; Y330-V334 PolarHBondContact O-N 3.42Å; Y330-V334 VanDerWaalsContact O-N 3.09Å
331R90.3Very high82.5Confident58 Ų5877.6 Ų77.622%0.21942%0.422CS..Hα-helixtrans-61.3-38.2179.6-72.6174.9-1791780112.3M138 N139 L327 K328 V334 G335 A336 F337M138-R331 PolarHBondContact O-NH2 3.49Å; N139-R331 PolarHBondContact O-NH1 2.9Å; L327-R331 WeakPolarHBondContact O-CB 3.38Å; L327-R331 VanDerWaalsContact O-CG 3.3Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 3.25Å; K328-R331 PolarHBondContact O-N 2.99Å; R331-V334 PolarHBondContact O-N 3.32Å; R331-G335 PolarHBondContact O-N 3.49Å; R331-A336 HydrophobicContact CB-CB 4.41Å; R331-A336 PolarHBondContact O-N 3.09Å; R331-F337 HydrophobicContact CB-CD2 4.06Å; R331-F337 HydrophobicContact CB-CE2 3.73Å
332K88.6Confident82.4Confident170 Ų17081 Ų8174%0.73944%0.435SS*.Hα-helixtrans-63-42.3172.7-173176.2-178.7176.70111.8K328 L329 Y330 V334 G335 F337K328-K332 WeakPolarHBondContact O-CB 3.35Å; K328-K332 PolarHBondContact O-N 2.97Å; L329-K332 PolarHBondContact O-N 3.38Å; Y330-K332 VanDerWaalsContact C-N 3.31Å; Y330-K332 PolarHBondContact O-N 3.06Å; K332-V334 PolarHBondContact O-N 2.96Å; K332-G335 PolarHBondContact O-N 3.07Å; K332-F337 HydrophobicContact CB-CD2 4.27Å; K332-F337 HydrophobicContact CB-CE2 4.25Å
333K88Confident81.9Confident180 Ų18083.1 Ų83.178%0.78345%0.448SS*.Hα-helixtrans-64.6-36.5179.3-178.4177.5178178.50113.2L329 Y330L329-K333 PolarHBondContact O-N 3.47Å; Y330-K333 WeakPolarHBondContact O-CB 3.5Å; Y330-K333 PolarHBondContact O-N 3.27Å
334V86.8Confident81.3Confident78 Ų7887.8 Ų87.847%0.47347%0.474SS..THydrogen-bonded Turntrans-91.42.9-178.4-58.40000114Y330 R331 K332 A336Y330-V334 HydrophobicContact CD1-CG2 4.49Å; Y330-V334 HydrophobicContact CE1-CG1 4.03Å; Y330-V334 HydrophobicContact CE1-CG2 4.2Å; Y330-V334 HydrophobicContact CE2-CG1 4.03Å; Y330-V334 WeakPolarHBondContact O-CG2 3.42Å; Y330-V334 PolarHBondContact O-N 3.42Å; Y330-V334 VanDerWaalsContact O-N 3.09Å; R331-V334 PolarHBondContact O-N 3.32Å; K332-V334 PolarHBondContact O-N 2.96Å; V334-A336 HydrophobicContact CG2-CB 3.83Å
335G75.3Confident80.6Confident61 Ų6194.1 Ų94.163%0.62951%0.508SS*.THydrogen-bonded Turntrans71.626.2-18000000114.3R331 K332R331-G335 PolarHBondContact O-N 3.49Å; K332-G335 PolarHBondContact O-N 3.07Å
336A65.5Low79.8Confident60 Ų6093.8 Ų93.850%0.49651%0.507SS..  trans-90.76.6-177.300000114.3R331 V334 S338R331-A336 HydrophobicContact CB-CB 4.41Å; R331-A336 PolarHBondContact O-N 3.09Å; V334-A336 HydrophobicContact CG2-CB 3.83Å; A336-S338 PolarHBondContact O-N 3.48Å
337F49Very low78.7Confident138 Ų13898.3 Ų98.361%0.60553%0.534SS*.  trans-86.386.3163.5-80.5-86.3000107.7R331 K332R331-F337 HydrophobicContact CB-CD2 4.06Å; R331-F337 HydrophobicContact CB-CE2 3.73Å; K332-F337 HydrophobicContact CB-CD2 4.27Å; K332-F337 HydrophobicContact CB-CE2 4.25Å
338S35.5Very low77.4Confident181 Ų181106.9 Ų106.9100%1.26658%0.581SS**  trans-123.50166.965.10000108.9A336A336-S338 PolarHBondContact O-N 3.48Å

Retrieved 338 of 338 residues in 1026.8 ms (Link to these results)

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