A0A3Q0KJE1_SCHMA Loading...

NAD(+) kinase

AlphaFold DB , UniProt , Accession A0A3Q0KJE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M50.7Low59.9Low190 Ų19075.2 Ų75.294%0.93641%0.408SS*.  0-61.40-108.8-164.8-78.700113D4 L5M1-D4 WeakPolarHBondContact CA-OD2 3.43Å; M1-D4 PolarHBondContact N-OD2 2.86Å; M1-D4 PolarHBondContact O-N 2.71Å; M1-L5 PolarHBondContact O-N 2.82Å
2M58.3Low61.8Low49 Ų4975.6 Ų75.624%0.24140%0.403CS..Hα-helixtrans-67.9-43.1-178.1-77.4-173.2-173.100113.8D4 L5 I6 L193 T195 P379M2-D4 VanDerWaalsContact C-N 3.26Å; M2-D4 PolarHBondContact O-N 3.01Å; M2-L5 WeakPolarHBondContact O-CB 2.85Å; M2-L5 PolarHBondContact O-N 3.24Å; M2-I6 PolarHBondContact O-N 2.96Å; M2-L193 HydrophobicContact CB-CD1 4.06Å; M2-T195 HydrophobicContact CE-CG2 3.97Å; M2-T195 WeakPolarHBondContact CE-OG1 3.3Å; M2-P379 HydrophobicContact CB-CG 4.2Å; M2-P379 HydrophobicContact CG-CG 4.16Å; M2-P379 HydrophobicContact SD-CB 3.77Å; M2-P379 HydrophobicContact SD-CG 3.81Å
3C58.1Low63.8Low23 Ų2370.4 Ų70.416%0.15538%0.375CS..Hα-helixtrans-61.6-35.8175.2-62.50000112.1L5 I6 S7 Q19C3-L5 VanDerWaalsContact C-N 3.32Å; C3-L5 PolarHBondContact O-N 3.03Å; C3-I6 PolarHBondContact O-N 2.94Å; C3-S7 PolarHBondContact O-N 3.42Å; C3-Q19 PolarHBondContact SG-OE1 3.49Å; C3-Q19 VanDerWaalsContact SG-OE1 3.34Å
4D58.2Low65.4Low87 Ų8772.5 Ų72.547%0.46538%0.376SS..Hα-helixtrans-64.9-38.2178.8-48.7-46.4000111M1 M2 I6 S7 T8M1-D4 WeakPolarHBondContact CA-OD2 3.43Å; M1-D4 PolarHBondContact N-OD2 2.86Å; M1-D4 PolarHBondContact O-N 2.71Å; M2-D4 VanDerWaalsContact C-N 3.26Å; M2-D4 PolarHBondContact O-N 3.01Å; D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 2.92Å; D4-S7 WeakPolarHBondContact O-CA 3.36Å; D4-S7 WeakPolarHBondContact O-CB 3.03Å; D4-S7 PolarHBondContact O-N 2.92Å; D4-S7 PolarHBondContact O-OG 2.63Å; D4-T8 WeakPolarHBondContact O-CG2 3.43Å; D4-T8 PolarHBondContact O-N 2.51Å; D4-T8 PolarHBondContact O-OG1 3.17Å
5L58.4Low66.8Low49 Ų4969.1 Ų69.126%0.25736%0.357SS..Hα-helixtrans-61.4-39.2178.4-129124.6000112.1M1 M2 C3 S7 T8 H9 P377 F378M1-L5 PolarHBondContact O-N 2.82Å; M2-L5 WeakPolarHBondContact O-CB 2.85Å; M2-L5 PolarHBondContact O-N 3.24Å; C3-L5 VanDerWaalsContact C-N 3.32Å; C3-L5 PolarHBondContact O-N 3.03Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 2.89Å; L5-T8 WeakPolarHBondContact CA-OG1 3.27Å; L5-T8 PolarHBondContact O-N 3.19Å; L5-T8 PolarHBondContact O-OG1 3.03Å; L5-H9 PolarHBondContact O-CD2 3.47Å; L5-H9 PolarHBondContact O-N 3.08Å; L5-P377 HydrophobicContact CD1-CB 3.94Å; L5-P377 HydrophobicContact CD2-CB 4.19Å; L5-F378 HydrophobicContact CD2-CD1 3.93Å; L5-F378 HydrophobicContact CD2-CE1 3.87Å
6I61.4Low67.9Low14 Ų1465.6 Ų65.67%0.07234%0.341CS..Hα-helixtrans-65.1-37.7175.3-63.1173.2000110.4M2 C3 D4 T8 C11 F13 F15 L193M2-I6 PolarHBondContact O-N 2.96Å; C3-I6 PolarHBondContact O-N 2.94Å; D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 2.92Å; I6-T8 VanDerWaalsContact C-N 3.35Å; I6-T8 PolarHBondContact O-N 3.14Å; I6-C11 HydrophobicContact CG2-CB 3.76Å; I6-C11 VanDerWaalsContact O-CB 3.25Å; I6-C11 WeakPolarHBondContact O-CB 3.34Å; I6-C11 PolarHBondContact O-SG 2.83Å; I6-F13 HydrophobicContact CD1-CE2 4.04Å; I6-F13 HydrophobicContact CD1-CZ 4.13Å; I6-F13 HydrophobicContact CG1-CZ 4.45Å; I6-F13 HydrophobicContact CG2-CD2 4.09Å; I6-F13 HydrophobicContact CG2-CE1 4.23Å; I6-F13 HydrophobicContact CG2-CE2 3.55Å; I6-F13 HydrophobicContact CG2-CZ 3.61Å; I6-F15 HydrophobicContact CD1-CD2 4.27Å; I6-F15 HydrophobicContact CD1-CE2 3.59Å; I6-L193 HydrophobicContact CD1-CD1 4.13Å; I6-L193 HydrophobicContact CD1-CD2 3.8Å
7S56.5Low68.7Low72 Ų7271.9 Ų71.950%0.50338%0.375SS..Hα-helixtrans-65.9-37.1175.880.70000112.5C3 D4 L5C3-S7 PolarHBondContact O-N 3.42Å; D4-S7 WeakPolarHBondContact O-CA 3.36Å; D4-S7 WeakPolarHBondContact O-CB 3.03Å; D4-S7 PolarHBondContact O-N 2.92Å; D4-S7 PolarHBondContact O-OG 2.63Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 2.89Å
8T56Low69.5Low97 Ų9773.7 Ų73.760%0.59539%0.385SS*.Hα-helixtrans-75.2-23.3-174.551.70000115D4 L5 I6 N10D4-T8 WeakPolarHBondContact O-CG2 3.43Å; D4-T8 PolarHBondContact O-N 2.51Å; D4-T8 PolarHBondContact O-OG1 3.17Å; L5-T8 WeakPolarHBondContact CA-OG1 3.27Å; L5-T8 PolarHBondContact O-N 3.19Å; L5-T8 PolarHBondContact O-OG1 3.03Å; I6-T8 VanDerWaalsContact C-N 3.35Å; I6-T8 PolarHBondContact O-N 3.14Å; T8-N10 PolarHBondContact O-N 3.01Å
9H62.4Low70.1Confident88 Ų8875.8 Ų75.841%0.40739%0.393SS..THydrogen-bonded Turntrans-98.727.1-170.1-75.2-60.4000115.5L5 C11 I154L5-H9 PolarHBondContact O-CD2 3.47Å; L5-H9 PolarHBondContact O-N 3.08Å; H9-C11 PolarHBondContact O-N 3.36Å; H9-I154 HydrophobicContact CB-CD1 3.32Å; H9-I154 HydrophobicContact CB-CG1 4.28Å; H9-I154 VanDerWaalsContact CG-CD1 3.49Å
10N65.4Low70.7Confident149 Ų14972.8 Ų72.880%0.79738%0.379SS*.THydrogen-bonded Turntrans50.732.5-175-77.5-19.1000112.6T8 K12T8-N10 PolarHBondContact O-N 3.01Å; N10-K12 PolarHBondContact O-N 2.98Å
11C73.4Confident71.6Confident9 Ų972.6 Ų72.66%0.06137%0.373CS..  trans-59141.9174.7-64.70000109.4I6 H9 F13 K25I6-C11 HydrophobicContact CG2-CB 3.76Å; I6-C11 VanDerWaalsContact O-CB 3.25Å; I6-C11 WeakPolarHBondContact O-CB 3.34Å; I6-C11 PolarHBondContact O-SG 2.83Å; H9-C11 PolarHBondContact O-N 3.36Å; C11-F13 HydrophobicContact CB-CD1 4.09Å; C11-F13 HydrophobicContact CB-CE1 3.99Å; C11-F13 PolarHBondContact O-N 3.44Å; C11-K25 WeakPolarHBondContact O-CD 3.41Å; C11-K25 WeakPolarHBondContact O-CE 3.3Å; C11-K25 PolarHBondContact O-NZ 3.14Å
12K82.9Confident73.5Confident80 Ų8063.7 Ų63.735%0.34833%0.329SS..SBendtrans-76.76.4179.4-68.4175.1171.71740113.7N10 K25 D133N10-K12 PolarHBondContact O-N 2.98Å; K12-K25 PolarHBondContact O-N 2.84Å; K12-D133 WeakPolarHBondContact CD-OD1 3.34Å; K12-D133 WeakPolarHBondContact CE-OD1 3.31Å; K12-D133 IonicContact NZ-OD1 2.77Å; K12-D133 PolarHBondContact NZ-OD1 2.86Å
13F87.2Confident75Confident8 Ų865.2 Ų65.24%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-137.8164.3177.971-82.6000110.4I6 C11 F15 V22 K23 W24 P157 P381I6-F13 HydrophobicContact CD1-CE2 4.04Å; I6-F13 HydrophobicContact CD1-CZ 4.13Å; I6-F13 HydrophobicContact CG1-CZ 4.45Å; I6-F13 HydrophobicContact CG2-CD2 4.09Å; I6-F13 HydrophobicContact CG2-CE1 4.23Å; I6-F13 HydrophobicContact CG2-CE2 3.55Å; I6-F13 HydrophobicContact CG2-CZ 3.61Å; C11-F13 HydrophobicContact CB-CD1 4.09Å; C11-F13 HydrophobicContact CB-CE1 3.99Å; C11-F13 PolarHBondContact O-N 3.44Å; F13-F15 AromaticContact CE2-CE2 3.95Å; F13-F15 HydrophobicContact CE2-CE2 3.95Å; F13-V22 HydrophobicContact CB-CG1 3.92Å; F13-V22 HydrophobicContact CD2-CG1 3.87Å; F13-V22 HydrophobicContact CD2-CG2 4.13Å; F13-V22 HydrophobicContact CE2-CG2 4.45Å; F13-V22 HydrophobicContact CG-CG1 4.21Å; F13-K23 CarbonylContact C-O 3.46Å; F13-K23 WeakPolarHBondContact CA-O 3.21Å; F13-K23 WeakPolarHBondContact CB-O 3.23Å; F13-W24 HydrophobicContact CB-CE3 3.75Å; F13-W24 HydrophobicContact CB-CZ3 3.92Å; F13-P157 HydrophobicContact CB-CG 4.47Å; F13-P157 HydrophobicContact CD1-CG 3.66Å; F13-P157 HydrophobicContact CD2-CG 3.91Å; F13-P157 HydrophobicContact CE1-CG 3.76Å; F13-P157 HydrophobicContact CE2-CG 3.97Å; F13-P157 HydrophobicContact CG-CG 3.75Å; F13-P157 HydrophobicContact CZ-CG 3.92Å; F13-P381 HydrophobicContact CE2-CB 4.42Å; F13-P381 HydrophobicContact CE2-CG 4.43Å; F13-P381 HydrophobicContact CZ-CB 4.41Å; F13-P381 HydrophobicContact CZ-CG 3.93Å
14Y87.1Confident76.5Confident100 Ų10065.7 Ų65.739%0.39233%0.333SS..EExtended strand (participates in β ladder)trans-145.6161.8174.865.1-78.6000109.6K23 K25Y14-K23 HydrophobicContact CD1-CB 4.07Å; Y14-K23 WeakPolarHBondContact CD1-O 2.79Å; Y14-K23 HydrophobicContact CD2-CB 4.36Å; Y14-K23 HydrophobicContact CE1-CB 3.57Å; Y14-K23 HydrophobicContact CE2-CB 3.88Å; Y14-K23 HydrophobicContact CE2-CD 3.77Å; Y14-K23 HydrophobicContact CE2-CG 4.38Å; Y14-K23 HydrophobicContact CG-CB 4.44Å; Y14-K23 VanDerWaalsContact CZ-CB 3.46Å; Y14-K23 PolarHBondContact N-O 3.13Å; Y14-K23 PolarHBondContact O-N 3.43Å; Y14-K23 WeakPolarHBondContact OH-CD 3.41Å; Y14-K25 HydrophobicContact CD1-CG 3.71Å; Y14-K25 HydrophobicContact CE1-CG 4.3Å
15F85.8Confident77.9Confident22 Ų2266.3 Ų66.310%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-88.6146.6173.9-79.4-96.2000110.5I6 F13 Q19 R21 V22 C191 L193I6-F15 HydrophobicContact CD1-CD2 4.27Å; I6-F15 HydrophobicContact CD1-CE2 3.59Å; F13-F15 AromaticContact CE2-CE2 3.95Å; F13-F15 HydrophobicContact CE2-CE2 3.95Å; F15-Q19 WeakPolarHBondContact CD1-O 3.31Å; F15-R21 CarbonylContact C-O 3.56Å; F15-R21 VanDerWaalsContact CA-O 3.25Å; F15-R21 WeakPolarHBondContact CA-O 3.48Å; F15-V22 HydrophobicContact CD1-CG2 4.39Å; F15-V22 HydrophobicContact CE1-CG2 3.9Å; F15-V22 HydrophobicContact CE2-CG2 4.21Å; F15-V22 HydrophobicContact CZ-CG2 3.78Å; F15-C191 HydrophobicContact CE1-CB 3.87Å; F15-C191 HydrophobicContact CZ-CB 4.21Å; F15-L193 HydrophobicContact CE1-CD2 4.49Å; F15-L193 HydrophobicContact CE1-CG 4.29Å; F15-L193 HydrophobicContact CE2-CD1 4.08Å; F15-L193 HydrophobicContact CE2-CD2 3.8Å; F15-L193 HydrophobicContact CE2-CG 4.14Å; F15-L193 HydrophobicContact CZ-CD1 4Å; F15-L193 HydrophobicContact CZ-CD2 3.43Å; F15-L193 VanDerWaalsContact CZ-CD2 3.43Å; F15-L193 HydrophobicContact CZ-CG 3.62Å
16S84.7Confident79.4Confident13 Ų1370 Ų709%0.09135%0.347CS..  trans-57.9163.7165470000111.4D18 Q19 R21S16-D18 VanDerWaalsContact CB-OD1 3.27Å; S16-D18 WeakPolarHBondContact CB-OD1 2.99Å; S16-D18 PolarHBondContact O-N 3.34Å; S16-D18 PolarHBondContact OG-OD1 3.43Å; S16-Q19 WeakPolarHBondContact O-CA 3.5Å; S16-Q19 PolarHBondContact O-N 3.06Å; S16-R21 PolarHBondContact N-O 3.32Å; S16-R21 WeakPolarHBondContact OG-CB 3.37Å; S16-R21 PolarHBondContact OG-N 2.94Å; S16-R21 PolarHBondContact OG-O 3.4Å
17D80.6Confident80.8Confident172 Ų17273.4 Ų73.492%0.9237%0.372SS*.THydrogen-bonded Turntrans-60-31.1-176-56.8-30.3000113Q19D17-Q19 PolarHBondContact O-N 2.88Å
18D83.9Confident82.6Confident104 Ų10470.5 Ų70.556%0.55635%0.351SS*.THydrogen-bonded Turntrans-790.5173.870.7-17.6000113.9S16 S20S16-D18 VanDerWaalsContact CB-OD1 3.27Å; S16-D18 WeakPolarHBondContact CB-OD1 2.99Å; S16-D18 PolarHBondContact O-N 3.34Å; S16-D18 PolarHBondContact OG-OD1 3.43Å; D18-S20 PolarHBondContact O-N 3.01Å; D18-S20 VanDerWaalsContact O-N 3.11Å; D18-S20 PolarHBondContact OD1-N 2.94Å; D18-S20 PolarHBondContact OD1-OG 3.02Å; D18-S20 VanDerWaalsContact OD1-OG 3.14Å; D18-S20 PolarHBondContact OD2-OG 3.2Å
19Q80.5Confident84.4Confident114 Ų11472 Ų7253%0.53335%0.349SS..SBendtrans57.518.1-178-54.4-169.60.500115.5C3 F15 S16 D17C3-Q19 PolarHBondContact SG-OE1 3.49Å; C3-Q19 VanDerWaalsContact SG-OE1 3.34Å; F15-Q19 WeakPolarHBondContact CD1-O 3.31Å; S16-Q19 WeakPolarHBondContact O-CA 3.5Å; S16-Q19 PolarHBondContact O-N 3.06Å; D17-Q19 PolarHBondContact O-N 2.88Å
20S83Confident86Confident16 Ų1668.1 Ų68.111%0.11233%0.333CS..SBendtrans-99-23.9-176.375.60000113.6D18 Y190 C191D18-S20 PolarHBondContact O-N 3.01Å; D18-S20 VanDerWaalsContact O-N 3.11Å; D18-S20 PolarHBondContact OD1-N 2.94Å; D18-S20 PolarHBondContact OD1-OG 3.02Å; D18-S20 VanDerWaalsContact OD1-OG 3.14Å; D18-S20 PolarHBondContact OD2-OG 3.2Å; S20-Y190 CarbonylContact O-C 3.51Å; S20-Y190 VanDerWaalsContact O-CA 3.26Å; S20-Y190 WeakPolarHBondContact O-CA 3.2Å; S20-Y190 WeakPolarHBondContact O-CD1 3.29Å; S20-C191 PolarHBondContact O-N 3.4Å
21R89.5Confident87.5Confident69 Ų6961 Ų6126%0.2630%0.295SS..EExtended strand (participates in β ladder)trans-121.9145-175.5-63.8170.4178.1-98.82.7113F15 S16 S188 S189 Y190F15-R21 CarbonylContact C-O 3.56Å; F15-R21 VanDerWaalsContact CA-O 3.25Å; F15-R21 WeakPolarHBondContact CA-O 3.48Å; S16-R21 PolarHBondContact N-O 3.32Å; S16-R21 WeakPolarHBondContact OG-CB 3.37Å; S16-R21 PolarHBondContact OG-N 2.94Å; S16-R21 PolarHBondContact OG-O 3.4Å; R21-S188 PolarHBondContact NH1-O 3.37Å; R21-S188 PolarHBondContact NH1-OG 3.26Å; R21-S188 VanDerWaalsContact NH1-OG 3.08Å; R21-S189 CarbonylContact C-O 3.58Å; R21-S189 VanDerWaalsContact CA-O 3.26Å; R21-S189 WeakPolarHBondContact CA-O 3.43Å; R21-Y190 HydrophobicContact CG-CD1 3.99Å; R21-Y190 HydrophobicContact CG-CE1 4.16Å; R21-Y190 HydrophobicContact CG-CG 4.19Å; R21-Y190 VanDerWaalsContact CZ-CZ 3.49Å; R21-Y190 PolarHBondContact NH2-OH 2.82Å
22V89.5Confident88.7Confident2 Ų260.6 Ų60.61%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-89.5133.9169.8166.60000110F13 F15 W24 P157 S189 C191 L383F13-V22 HydrophobicContact CB-CG1 3.92Å; F13-V22 HydrophobicContact CD2-CG1 3.87Å; F13-V22 HydrophobicContact CD2-CG2 4.13Å; F13-V22 HydrophobicContact CE2-CG2 4.45Å; F13-V22 HydrophobicContact CG-CG1 4.21Å; F15-V22 HydrophobicContact CD1-CG2 4.39Å; F15-V22 HydrophobicContact CE1-CG2 3.9Å; F15-V22 HydrophobicContact CE2-CG2 4.21Å; F15-V22 HydrophobicContact CZ-CG2 3.78Å; V22-W24 HydrophobicContact CG1-CH2 4.22Å; V22-W24 HydrophobicContact CG1-CZ2 4.26Å; V22-W24 HydrophobicContact CG1-CZ3 4.43Å; V22-P157 HydrophobicContact CG1-CG 4.26Å; V22-S189 PolarHBondContact N-O 3.05Å; V22-C191 HydrophobicContact CB-CB 4.27Å; V22-C191 HydrophobicContact CG2-CB 3.4Å; V22-L383 HydrophobicContact CB-CD2 4.23Å; V22-L383 HydrophobicContact CG2-CD2 4.31Å
23K89.7Confident89.4Confident81 Ų8156.9 Ų56.935%0.35228%0.275SS..EExtended strand (participates in β ladder)trans-122.1146170.7-67.4-176179.1178.80109.9F13 Y14F13-K23 CarbonylContact C-O 3.46Å; F13-K23 WeakPolarHBondContact CA-O 3.21Å; F13-K23 WeakPolarHBondContact CB-O 3.23Å; Y14-K23 HydrophobicContact CD1-CB 4.07Å; Y14-K23 WeakPolarHBondContact CD1-O 2.79Å; Y14-K23 HydrophobicContact CD2-CB 4.36Å; Y14-K23 HydrophobicContact CE1-CB 3.57Å; Y14-K23 HydrophobicContact CE2-CB 3.88Å; Y14-K23 HydrophobicContact CE2-CD 3.77Å; Y14-K23 HydrophobicContact CE2-CG 4.38Å; Y14-K23 HydrophobicContact CG-CB 4.44Å; Y14-K23 VanDerWaalsContact CZ-CB 3.46Å; Y14-K23 PolarHBondContact N-O 3.13Å; Y14-K23 PolarHBondContact O-N 3.43Å; Y14-K23 WeakPolarHBondContact OH-CD 3.41Å
24W90.4Very high89.8Confident33 Ų3356.5 Ų56.513%0.12527%0.274CS..EExtended strand (participates in β ladder)trans-88.3135.2178.6-48.9111000110.5F13 V22 E26 I28 L134 P157 V184 G187F13-W24 HydrophobicContact CB-CE3 3.75Å; F13-W24 HydrophobicContact CB-CZ3 3.92Å; V22-W24 HydrophobicContact CG1-CH2 4.22Å; V22-W24 HydrophobicContact CG1-CZ2 4.26Å; V22-W24 HydrophobicContact CG1-CZ3 4.43Å; W24-E26 VanDerWaalsContact C-N 3.34Å; W24-E26 WeakPolarHBondContact CB-O 3.38Å; W24-I28 HydrophobicContact CD2-CD1 3.76Å; W24-I28 HydrophobicContact CD2-CG1 3.85Å; W24-I28 HydrophobicContact CE3-CD1 4.05Å; W24-I28 HydrophobicContact CE3-CG1 3.93Å; W24-I28 HydrophobicContact CG-CD1 4.46Å; W24-I28 HydrophobicContact CG-CG1 4.37Å; W24-I28 HydrophobicContact CH2-CD1 3.67Å; W24-I28 HydrophobicContact CH2-CG1 4.34Å; W24-I28 HydrophobicContact CZ2-CD1 3.36Å; W24-I28 HydrophobicContact CZ2-CG1 4.29Å; W24-I28 HydrophobicContact CZ3-CD1 4Å; W24-I28 HydrophobicContact CZ3-CG1 4.15Å; W24-L134 HydrophobicContact CH2-CD1 3.9Å; W24-L134 HydrophobicContact CZ2-CD1 4.3Å; W24-P157 HydrophobicContact CH2-CB 3.82Å; W24-P157 HydrophobicContact CH2-CG 3.67Å; W24-P157 HydrophobicContact CZ3-CB 4.4Å; W24-P157 HydrophobicContact CZ3-CG 3.75Å; W24-V184 HydrophobicContact CZ2-CG1 3.96Å; W24-V184 PolarHBondContact NE1-O 3.02Å; W24-G187 VanDerWaalsContact CD1-CA 3.5Å
25K88.5Confident90.3Very high100 Ų10051.7 Ų51.744%0.43526%0.255SS..SBendtrans-73.1-34.4171.1-64.9-173.3-173.3164.80111C11 K12 Y14C11-K25 WeakPolarHBondContact O-CD 3.41Å; C11-K25 WeakPolarHBondContact O-CE 3.3Å; C11-K25 PolarHBondContact O-NZ 3.14Å; K12-K25 PolarHBondContact O-N 2.84Å; Y14-K25 HydrophobicContact CD1-CG 3.71Å; Y14-K25 HydrophobicContact CE1-CG 4.3Å
26E88.6Confident90.6Very high127 Ų12755.1 Ų55.159%0.59327%0.27SS*.SBendtrans-135.2156.2175.6-64.1-179-175.500109W24 I28W24-E26 VanDerWaalsContact C-N 3.34Å; W24-E26 WeakPolarHBondContact CB-O 3.38Å; E26-I28 PolarHBondContact O-N 3.48Å
27S91Very high90.7Very high85 Ų8557.5 Ų57.559%0.59428%0.279SS*.  trans-55.9134.2173.458.90000111K29S27-K29 PolarHBondContact O-N 3.24Å
28I93.9Very high90.9Very high12 Ų1254.9 Ų54.96%0.06227%0.272CS..  trans-55.1133.3171.7-70.1167.3000109.6W24 E26 I31 L59 D133 L134 L185W24-I28 HydrophobicContact CD2-CD1 3.76Å; W24-I28 HydrophobicContact CD2-CG1 3.85Å; W24-I28 HydrophobicContact CE3-CD1 4.05Å; W24-I28 HydrophobicContact CE3-CG1 3.93Å; W24-I28 HydrophobicContact CG-CD1 4.46Å; W24-I28 HydrophobicContact CG-CG1 4.37Å; W24-I28 HydrophobicContact CH2-CD1 3.67Å; W24-I28 HydrophobicContact CH2-CG1 4.34Å; W24-I28 HydrophobicContact CZ2-CD1 3.36Å; W24-I28 HydrophobicContact CZ2-CG1 4.29Å; W24-I28 HydrophobicContact CZ3-CD1 4Å; W24-I28 HydrophobicContact CZ3-CG1 4.15Å; E26-I28 PolarHBondContact O-N 3.48Å; I28-I31 HydrophobicContact CG2-CG1 4.15Å; I28-L59 HydrophobicContact CG2-CD2 3.99Å; I28-L59 WeakPolarHBondContact O-CD2 3.42Å; I28-D133 HydrophobicContact CB-CB 4.42Å; I28-D133 HydrophobicContact CG1-CB 4.22Å; I28-D133 HydrophobicContact CG2-CB 4.06Å; I28-L134 HydrophobicContact CD1-CB 4.09Å; I28-L134 HydrophobicContact CD1-CD2 4.21Å; I28-L134 HydrophobicContact CG2-CB 4.39Å; I28-L185 HydrophobicContact CB-CD2 3.79Å; I28-L185 HydrophobicContact CD1-CD2 3.74Å; I28-L185 HydrophobicContact CG1-CD2 4.35Å; I28-L185 HydrophobicContact CG2-CD2 3.84Å
29K94.4Very high91.2Very high127 Ų12751.3 Ų51.355%0.55225%0.253SS*.  trans-123.1-23.2174.9-68.5-176.3-178.9175.80112.8S27 T60 D133S27-K29 PolarHBondContact O-N 3.24Å; K29-T60 PolarHBondContact O-N 3.34Å; K29-D133 PolarHBondContact N-OD2 2.92Å
30S95.5Very high91.6Very high8 Ų852.3 Ų52.36%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-128.4131.2-176.960.40000112.7T60 K131 I132 D133 L134S30-T60 WeakPolarHBondContact CA-O 3.29Å; S30-K131 WeakPolarHBondContact CB-O 3.33Å; S30-K131 PolarHBondContact OG-O 3.01Å; S30-I132 WeakPolarHBondContact OG-CA 3.48Å; S30-D133 PolarHBondContact N-OD2 3.49Å; S30-D133 WeakPolarHBondContact O-CB 3.14Å; S30-D133 PolarHBondContact O-N 3.36Å; S30-D133 VanDerWaalsContact O-N 3.17Å; S30-D133 PolarHBondContact OG-N 3.3Å; S30-D133 PolarHBondContact OG-OD1 3.48Å; S30-D133 PolarHBondContact OG-OD2 3.34Å; S30-L134 PolarHBondContact O-N 3.05Å
31I97.2Very high92.1Very high0 Ų057.2 Ų57.20%029%0.287CS..EExtended strand (participates in β ladder)trans-121130.5176-61.8-175.9000108.8I28 V33 V53 L59 T60 I61 Y62 L134 V136 M181I28-I31 HydrophobicContact CG2-CG1 4.15Å; I31-V33 HydrophobicContact CG2-CG2 4.13Å; I31-V53 HydrophobicContact CD1-CG1 4.42Å; I31-L59 HydrophobicContact CD1-CD1 3.7Å; I31-L59 HydrophobicContact CG1-CD1 4.39Å; I31-T60 PolarHBondContact N-O 3.2Å; I31-I61 CarbonylContact O-C 3.57Å; I31-I61 WeakPolarHBondContact O-CA 3.32Å; I31-Y62 PolarHBondContact O-N 3.13Å; I31-L134 WeakPolarHBondContact CA-O 3.41Å; I31-L134 HydrophobicContact CD1-CD2 4.14Å; I31-L134 HydrophobicContact CG1-CB 4.35Å; I31-L134 HydrophobicContact CG1-CD2 4.31Å; I31-V136 HydrophobicContact CG2-CB 4.12Å; I31-V136 HydrophobicContact CG2-CG2 3.49Å; I31-V136 VanDerWaalsContact CG2-CG2 3.49Å; I31-M181 HydrophobicContact CD1-CE 3.7Å
32L97.9Very high92.4Very high0 Ų054 Ų540%028%0.275CS..EExtended strand (participates in β ladder)trans-94.6126.4162.9173.862.2000109V34 Y62 F124 I132 L134 I135 V136 M150 F151L32-V34 HydrophobicContact CD2-CG2 3.94Å; L32-V34 HydrophobicContact CG-CG2 3.89Å; L32-Y62 WeakPolarHBondContact CD1-O 3.26Å; L32-F124 HydrophobicContact CD1-CB 3.79Å; L32-F124 HydrophobicContact CD1-CD1 4.08Å; L32-F124 HydrophobicContact CD1-CD2 3.68Å; L32-F124 HydrophobicContact CD1-CE2 4.28Å; L32-F124 HydrophobicContact CD1-CG 3.55Å; L32-F124 HydrophobicContact CD2-CD1 4.48Å; L32-F124 HydrophobicContact CD2-CD2 4.14Å; L32-F124 HydrophobicContact CD2-CE1 4.24Å; L32-F124 HydrophobicContact CD2-CE2 3.88Å; L32-F124 HydrophobicContact CD2-CG 4.43Å; L32-F124 HydrophobicContact CD2-CZ 3.93Å; L32-F124 HydrophobicContact CG-CD2 4.44Å; L32-I132 HydrophobicContact CB-CD1 4.09Å; L32-I132 HydrophobicContact CB-CG1 4.21Å; L32-I132 HydrophobicContact CB-CG2 3.65Å; L32-L134 PolarHBondContact N-O 3.01Å; L32-I135 HydrophobicContact CB-CG1 4.37Å; L32-I135 HydrophobicContact CD2-CG1 4.46Å; L32-I135 CarbonylContact O-C 3.57Å; L32-I135 WeakPolarHBondContact O-CA 3.43Å; L32-V136 PolarHBondContact O-N 3.43Å; L32-M150 HydrophobicContact CD2-CE 4.1Å; L32-F151 HydrophobicContact CD2-CE2 3.66Å; L32-F151 HydrophobicContact CD2-CZ 3.69Å
33V98Very high92.6Very high1 Ų154.4 Ų54.41%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-100.3120.5171.2-171.70000109.1I31 L46 F49 I61 Y62 L63 V136 L138I31-V33 HydrophobicContact CG2-CG2 4.13Å; V33-L46 HydrophobicContact CB-CD1 4.31Å; V33-L46 HydrophobicContact CG1-CD1 3.58Å; V33-F49 HydrophobicContact CG2-CD1 4.15Å; V33-F49 HydrophobicContact CG2-CE1 3.67Å; V33-I61 HydrophobicContact CG2-CG2 3.85Å; V33-Y62 PolarHBondContact N-O 3.1Å; V33-L63 HydrophobicContact CB-CD2 3.77Å; V33-L63 HydrophobicContact CG2-CD2 4.24Å; V33-V136 CarbonylContact C-O 3.5Å; V33-V136 WeakPolarHBondContact CA-O 3.34Å; V33-V136 HydrophobicContact CG1-CG1 4.49Å; V33-V136 HydrophobicContact CG2-CB 4.33Å; V33-L138 HydrophobicContact CG1-CD1 3.73Å; V33-L138 HydrophobicContact CG1-CG 3.99Å
34V97Very high92.8Very high0 Ų055.1 Ų55.10%028%0.281CS..EExtended strand (participates in β ladder)trans-111.8130.9173.2-175.30000107.5L32 I135 V136 C137 L138 T143 Q146 I147 M150L32-V34 HydrophobicContact CD2-CG2 3.94Å; L32-V34 HydrophobicContact CG-CG2 3.89Å; V34-I135 HydrophobicContact CG2-CG2 4.1Å; V34-V136 PolarHBondContact N-O 3.08Å; V34-C137 CarbonylContact O-C 3.56Å; V34-C137 VanDerWaalsContact O-CA 3.3Å; V34-C137 WeakPolarHBondContact O-CA 3.47Å; V34-L138 PolarHBondContact O-N 3.25Å; V34-T143 HydrophobicContact CG1-CG2 4.04Å; V34-Q146 HydrophobicContact CG1-CG 4.37Å; V34-I147 HydrophobicContact CB-CD1 4.31Å; V34-I147 HydrophobicContact CB-CG1 4.06Å; V34-I147 HydrophobicContact CG1-CG1 4.13Å; V34-I147 HydrophobicContact CG2-CD1 4.46Å; V34-I147 HydrophobicContact CG2-CG1 3.93Å; V34-M150 HydrophobicContact CG1-SD 4.12Å; V34-M150 HydrophobicContact CG2-CE 4.17Å; V34-M150 HydrophobicContact CG2-SD 3.88Å
35H96Very high93.1Very high0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-137.6164.5-176.371.191.6000112.2F37 V42 T67 L138H35-F37 AromaticContact CE1-CD1 3.83Å; H35-F37 PolarHBondContact O-N 3.48Å; H35-V42 HydrophobicContact CB-CG1 3.77Å; H35-T67 WeakPolarHBondContact NE2-CB 3.45Å; H35-T67 WeakPolarHBondContact NE2-CG2 3.3Å; H35-T67 PolarHBondContact NE2-OG1 3.18Å; H35-L138 CarbonylContact C-O 3.58Å; H35-L138 WeakPolarHBondContact CA-O 3.25Å; H35-L138 HydrophobicContact CB-CB 3.84Å; H35-L138 WeakPolarHBondContact CB-O 3.47Å
36K93Very high93.5Very high93 Ų9349.6 Ų49.640%0.40426%0.26SS..  trans-69.3120.6169-174.1-176.4172.6-1590109.2D39 V42 L138K36-D39 HydrophobicContact CD-CB 4.11Å; K36-D39 WeakPolarHBondContact CE-OD2 3.33Å; K36-D39 HydrophobicContact CG-CB 4.31Å; K36-D39 IonicContact NZ-OD2 2.75Å; K36-D39 PolarHBondContact NZ-OD2 3.45Å; K36-V42 HydrophobicContact CB-CG1 4.46Å; K36-V42 HydrophobicContact CB-CG2 4.29Å; K36-L138 PolarHBondContact N-O 3.22Å
37F86.6Confident93.8Very high64 Ų6444.4 Ų44.428%0.28124%0.236SC..THydrogen-bonded Turntrans-68.1153.3177.1-70.7-67.3000112.7H35 D39 E64 I66H35-F37 AromaticContact CE1-CD1 3.83Å; H35-F37 PolarHBondContact O-N 3.48Å; F37-D39 PolarHBondContact O-N 3.11Å; F37-D39 VanDerWaalsContact O-N 3.13Å; F37-E64 VanDerWaalsContact CZ-OE2 3.28Å; F37-E64 WeakPolarHBondContact CZ-OE2 3.42Å; F37-I66 HydrophobicContact CD1-CG2 4.21Å; F37-I66 HydrophobicContact CE1-CG2 3.41Å; F37-I66 VanDerWaalsContact CE1-CG2 3.41Å; F37-I66 HydrophobicContact CZ-CG2 3.86Å
38C84.1Confident94.1Very high116 Ų11642.7 Ų42.778%0.78422%0.224SC*.THydrogen-bonded Turntrans55.429.8172-52.60000114.2
39D90.3Very high94.3Very high30 Ų3042.1 Ų42.116%0.1622%0.221CC..  trans-117.2105.5175.6-169.7-41.6000108.8K36 F37 N41 V42 I43K36-D39 HydrophobicContact CD-CB 4.11Å; K36-D39 WeakPolarHBondContact CE-OD2 3.33Å; K36-D39 HydrophobicContact CG-CB 4.31Å; K36-D39 IonicContact NZ-OD2 2.75Å; K36-D39 PolarHBondContact NZ-OD2 3.45Å; F37-D39 PolarHBondContact O-N 3.11Å; F37-D39 VanDerWaalsContact O-N 3.13Å; D39-N41 PolarHBondContact O-N 3.08Å; D39-N41 PolarHBondContact OD1-N 3.04Å; D39-V42 HydrophobicContact CB-CB 3.98Å; D39-V42 HydrophobicContact CB-CG2 3.79Å; D39-V42 WeakPolarHBondContact O-CA 3.44Å; D39-V42 WeakPolarHBondContact O-CB 3.25Å; D39-V42 PolarHBondContact O-N 3.1Å; D39-I43 PolarHBondContact O-N 3.24Å
40L90.6Very high94.4Very high135 Ų13536.1 Ų36.171%0.70720%0.195SC*.Hα-helixtrans-54.7-39.7-173.6-68.4172.3000112.6V42 I43 E44L40-V42 VanDerWaalsContact C-N 3.26Å; L40-V42 PolarHBondContact O-N 2.91Å; L40-I43 PolarHBondContact O-N 3.22Å; L40-E44 WeakPolarHBondContact O-CG 3.26Å; L40-E44 PolarHBondContact O-N 3.47Å
41N92.7Very high94.3Very high119 Ų11939.2 Ų39.264%0.63621%0.208SC*.Hα-helixtrans-66.1-33.9178.8-66.9-48.5000111.7D39 S45D39-N41 PolarHBondContact O-N 3.08Å; D39-N41 PolarHBondContact OD1-N 3.04Å; N41-S45 WeakPolarHBondContact O-CB 3.35Å; N41-S45 PolarHBondContact O-N 2.91Å; N41-S45 PolarHBondContact O-OG 3.19Å
42V94.7Very high94.2Very high1 Ų141.5 Ų41.51%0.00622%0.217CC..Hα-helixtrans-72.1-38.8176.71780000110.7H35 K36 D39 L40 S45 L46 L138 L163H35-V42 HydrophobicContact CB-CG1 3.77Å; K36-V42 HydrophobicContact CB-CG1 4.46Å; K36-V42 HydrophobicContact CB-CG2 4.29Å; D39-V42 HydrophobicContact CB-CB 3.98Å; D39-V42 HydrophobicContact CB-CG2 3.79Å; D39-V42 WeakPolarHBondContact O-CA 3.44Å; D39-V42 WeakPolarHBondContact O-CB 3.25Å; D39-V42 PolarHBondContact O-N 3.1Å; L40-V42 VanDerWaalsContact C-N 3.26Å; L40-V42 PolarHBondContact O-N 2.91Å; V42-S45 WeakPolarHBondContact O-CB 3.21Å; V42-S45 PolarHBondContact O-N 3.06Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 PolarHBondContact O-N 3.48Å; V42-L138 HydrophobicContact CG1-CB 4.29Å; V42-L163 HydrophobicContact CB-CD1 4.3Å; V42-L163 HydrophobicContact CG1-CD1 4.04Å; V42-L163 HydrophobicContact CG2-CB 3.91Å; V42-L163 HydrophobicContact CG2-CD1 4.05Å
43I94.3Very high94.1Very high11 Ų1141.5 Ų41.56%0.05622%0.217CC..Hα-helixtrans-64.9-43175.9-62.6-60.9000111.7D39 L40 S45 L46 K47 E70 L71D39-I43 PolarHBondContact O-N 3.24Å; L40-I43 PolarHBondContact O-N 3.22Å; I43-S45 VanDerWaalsContact C-N 3.29Å; I43-S45 PolarHBondContact O-N 3.11Å; I43-L46 HydrophobicContact CD1-CD2 4.32Å; I43-L46 WeakPolarHBondContact O-CB 3.33Å; I43-L46 PolarHBondContact O-N 3.07Å; I43-K47 WeakPolarHBondContact O-CG 3.46Å; I43-K47 PolarHBondContact O-N 2.86Å; I43-E70 WeakPolarHBondContact CD1-OE2 3.26Å; I43-L71 HydrophobicContact CG2-CD2 4.42Å
44E94.7Very high93.9Very high95 Ų9541.5 Ų41.544%0.44422%0.217SC..Hα-helixtrans-60.4-40.3173.5-69.7-53140.800112.6L40 K47 S48L40-E44 WeakPolarHBondContact O-CG 3.26Å; L40-E44 PolarHBondContact O-N 3.47Å; E44-K47 PolarHBondContact O-N 3.25Å; E44-K47 VanDerWaalsContact OE1-CE 3.24Å; E44-K47 WeakPolarHBondContact OE1-CE 3.48Å; E44-K47 IonicContact OE1-NZ 3.26Å; E44-K47 PolarHBondContact OE1-NZ 3.22Å; E44-K47 WeakPolarHBondContact OE2-CE 3.43Å; E44-K47 IonicContact OE2-NZ 3.94Å; E44-K47 PolarHBondContact OE2-NZ 3.39Å; E44-S48 PolarHBondContact O-N 2.84Å; E44-S48 VanDerWaalsContact O-N 3.08Å; E44-S48 PolarHBondContact O-OG 2.91Å
45S96Very high93.7Very high18 Ų1844 Ų4413%0.12623%0.228CC..Hα-helixtrans-67-41.7176.3-610000111.4N41 V42 I43 S48 F49 L163 F174N41-S45 WeakPolarHBondContact O-CB 3.35Å; N41-S45 PolarHBondContact O-N 2.91Å; N41-S45 PolarHBondContact O-OG 3.19Å; V42-S45 WeakPolarHBondContact O-CB 3.21Å; V42-S45 PolarHBondContact O-N 3.06Å; I43-S45 VanDerWaalsContact C-N 3.29Å; I43-S45 PolarHBondContact O-N 3.11Å; S45-S48 PolarHBondContact O-N 2.81Å; S45-F49 VanDerWaalsContact O-CB 3.32Å; S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 2.84Å; S45-L163 VanDerWaalsContact OG-CD2 3.25Å; S45-L163 WeakPolarHBondContact OG-CD2 3.18Å; S45-F174 VanDerWaalsContact CB-CE1 3.41Å; S45-F174 WeakPolarHBondContact O-CZ 3.38Å
46L96.6Very high93.6Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-59.6-47.5174.6173.967.1000111.2V33 V42 I43 S48 F49 V50 L63 T67 L71 L138V33-L46 HydrophobicContact CB-CD1 4.31Å; V33-L46 HydrophobicContact CG1-CD1 3.58Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 PolarHBondContact O-N 3.48Å; I43-L46 HydrophobicContact CD1-CD2 4.32Å; I43-L46 WeakPolarHBondContact O-CB 3.33Å; I43-L46 PolarHBondContact O-N 3.07Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 3.28Å; L46-F49 WeakPolarHBondContact O-CB 3.28Å; L46-F49 PolarHBondContact O-N 3.38Å; L46-V50 HydrophobicContact CD1-CG2 3.75Å; L46-V50 HydrophobicContact CG-CG2 4.25Å; L46-V50 WeakPolarHBondContact O-CB 3.17Å; L46-V50 VanDerWaalsContact O-CG2 3.31Å; L46-V50 WeakPolarHBondContact O-CG2 3.37Å; L46-V50 PolarHBondContact O-N 3.32Å; L46-L63 HydrophobicContact CD1-CD2 4.3Å; L46-T67 HydrophobicContact CD2-CG2 3.47Å; L46-T67 VanDerWaalsContact CD2-CG2 3.47Å; L46-L71 HydrophobicContact CD2-CD1 4.15Å; L46-L71 HydrophobicContact CD2-CD2 4.29Å; L46-L71 HydrophobicContact CD2-CG 4.47Å; L46-L138 HydrophobicContact CB-CD1 4.05Å; L46-L138 HydrophobicContact CD1-CD1 3.84Å
47K96.3Very high93.7Very high18 Ų1847 Ų478%0.07824%0.239CC..Hα-helixtrans-55.7-50176.1-75.2-173-70.8178.60111.4I43 E44 F49 V50 H51 L71 D74 F77I43-K47 WeakPolarHBondContact O-CG 3.46Å; I43-K47 PolarHBondContact O-N 2.86Å; E44-K47 PolarHBondContact O-N 3.25Å; E44-K47 VanDerWaalsContact OE1-CE 3.24Å; E44-K47 WeakPolarHBondContact OE1-CE 3.48Å; E44-K47 IonicContact OE1-NZ 3.26Å; E44-K47 PolarHBondContact OE1-NZ 3.22Å; E44-K47 WeakPolarHBondContact OE2-CE 3.43Å; E44-K47 IonicContact OE2-NZ 3.94Å; E44-K47 PolarHBondContact OE2-NZ 3.39Å; K47-F49 VanDerWaalsContact C-N 3.32Å; K47-F49 PolarHBondContact O-N 3.4Å; K47-V50 PolarHBondContact O-N 2.83Å; K47-H51 WeakPolarHBondContact O-CB 3.21Å; K47-H51 PolarHBondContact O-N 3.42Å; K47-L71 HydrophobicContact CD-CD2 4.3Å; K47-L71 HydrophobicContact CG-CD2 3.6Å; K47-D74 IonicContact NZ-OD2 3.77Å; K47-D74 PolarHBondContact NZ-OD2 3.49Å; K47-F77 HydrophobicContact CB-CD2 3.84Å; K47-F77 HydrophobicContact CB-CE1 4.35Å; K47-F77 HydrophobicContact CB-CE2 3.64Å; K47-F77 HydrophobicContact CB-CG 4.29Å; K47-F77 HydrophobicContact CB-CZ 3.92Å; K47-F77 HydrophobicContact CD-CB 3.77Å; K47-F77 HydrophobicContact CD-CD1 4.11Å; K47-F77 HydrophobicContact CD-CD2 3.88Å; K47-F77 HydrophobicContact CD-CG 3.65Å; K47-F77 HydrophobicContact CG-CB 4.42Å; K47-F77 HydrophobicContact CG-CD1 3.83Å; K47-F77 HydrophobicContact CG-CD2 3.84Å; K47-F77 HydrophobicContact CG-CE1 3.97Å; K47-F77 HydrophobicContact CG-CE2 3.98Å; K47-F77 HydrophobicContact CG-CG 3.76Å; K47-F77 HydrophobicContact CG-CZ 4.05Å; K47-F77 WeakPolarHBondContact O-CE2 3.27Å; K47-F77 WeakPolarHBondContact O-CZ 3.22Å
48S96.1Very high94.1Very high49 Ų4947.7 Ų47.734%0.34325%0.246SC..Hα-helixtrans-59.9-42.4178-59.80000112.1E44 S45 L46 Y52E44-S48 PolarHBondContact O-N 2.84Å; E44-S48 VanDerWaalsContact O-N 3.08Å; E44-S48 PolarHBondContact O-OG 2.91Å; S45-S48 PolarHBondContact O-N 2.81Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 3.28Å; S48-Y52 VanDerWaalsContact O-CB 3.26Å; S48-Y52 WeakPolarHBondContact O-CB 3.32Å; S48-Y52 PolarHBondContact O-N 2.85Å; S48-Y52 VanDerWaalsContact O-N 3.15Å
49F97.5Very high94.6Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-64-55.1177.7177-90.2000111.6V33 S45 L46 K47 H51 Y52 V53 V136 L138 F161 F174 F177 M181V33-F49 HydrophobicContact CG2-CD1 4.15Å; V33-F49 HydrophobicContact CG2-CE1 3.67Å; S45-F49 VanDerWaalsContact O-CB 3.32Å; S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 2.84Å; L46-F49 WeakPolarHBondContact O-CB 3.28Å; L46-F49 PolarHBondContact O-N 3.38Å; K47-F49 VanDerWaalsContact C-N 3.32Å; K47-F49 PolarHBondContact O-N 3.4Å; F49-H51 PolarHBondContact O-N 3.03Å; F49-Y52 PolarHBondContact O-N 2.87Å; F49-V53 HydrophobicContact CD1-CG2 4.28Å; F49-V53 HydrophobicContact CD2-CG2 4.26Å; F49-V53 HydrophobicContact CE1-CG2 3.85Å; F49-V53 HydrophobicContact CE2-CG2 3.85Å; F49-V53 HydrophobicContact CG-CG2 4.44Å; F49-V53 HydrophobicContact CZ-CG2 3.6Å; F49-V53 WeakPolarHBondContact O-CB 3.46Å; F49-V53 WeakPolarHBondContact O-CG2 3.23Å; F49-V53 PolarHBondContact O-N 3.39Å; F49-V136 HydrophobicContact CE1-CG1 4.2Å; F49-V136 HydrophobicContact CE1-CG2 4.48Å; F49-V136 HydrophobicContact CE2-CG1 3.89Å; F49-V136 HydrophobicContact CE2-CG2 4.43Å; F49-V136 HydrophobicContact CZ-CB 4.13Å; F49-V136 HydrophobicContact CZ-CG1 3.72Å; F49-V136 HydrophobicContact CZ-CG2 3.76Å; F49-L138 HydrophobicContact CB-CD1 4.49Å; F49-F161 HydrophobicContact CE2-CE2 4.49Å; F49-F174 HydrophobicContact CB-CE2 4.19Å; F49-F174 HydrophobicContact CB-CZ 4.14Å; F49-F174 HydrophobicContact CD2-CE2 4.47Å; F49-F177 HydrophobicContact CB-CE2 4.43Å; F49-F177 AromaticContact CD2-CD2 3.58Å; F49-F177 HydrophobicContact CD2-CD2 3.58Å; F49-F177 HydrophobicContact CD2-CE2 4.03Å; F49-F177 HydrophobicContact CD2-CG 4.31Å; F49-F177 HydrophobicContact CE2-CD2 4.21Å; F49-M181 HydrophobicContact CE2-CE 4.42Å; F49-M181 HydrophobicContact CE2-CG 3.73Å; F49-M181 HydrophobicContact CE2-SD 3.8Å; F49-M181 HydrophobicContact CZ-CE 4.19Å; F49-M181 HydrophobicContact CZ-CG 4.41Å; F49-M181 HydrophobicContact CZ-SD 4.07Å
50V96.5Very high94.9Very high1 Ų142.3 Ų42.31%0.00621%0.211CC..Hα-helixtrans-58.7-48.7-177.1168.30000110.2L46 K47 Y52 V53 L54 I61 F77 I81L46-V50 HydrophobicContact CD1-CG2 3.75Å; L46-V50 HydrophobicContact CG-CG2 4.25Å; L46-V50 WeakPolarHBondContact O-CB 3.17Å; L46-V50 VanDerWaalsContact O-CG2 3.31Å; L46-V50 WeakPolarHBondContact O-CG2 3.37Å; L46-V50 PolarHBondContact O-N 3.32Å; K47-V50 PolarHBondContact O-N 2.83Å; V50-Y52 PolarHBondContact O-N 2.76Å; V50-V53 PolarHBondContact O-N 3.28Å; V50-L54 HydrophobicContact CG1-CD1 3.53Å; V50-L54 HydrophobicContact CG1-CG 4.31Å; V50-L54 WeakPolarHBondContact O-CB 3.14Å; V50-L54 VanDerWaalsContact O-CG 3.22Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 3.28Å; V50-I61 HydrophobicContact CB-CD1 4.47Å; V50-I61 HydrophobicContact CG1-CD1 4.26Å; V50-I61 HydrophobicContact CG2-CD1 4.41Å; V50-F77 HydrophobicContact CB-CZ 4.32Å; V50-F77 HydrophobicContact CG1-CZ 4.25Å; V50-I81 HydrophobicContact CG1-CD1 4.5Å
51H94.7Very high95.2Very high72 Ų7235.9 Ų35.933%0.33318%0.177SC..Hα-helixtrans-59.5-47.5179-179.166.2000112.3K47 F49 K55 F77 I80K47-H51 WeakPolarHBondContact O-CB 3.21Å; K47-H51 PolarHBondContact O-N 3.42Å; F49-H51 PolarHBondContact O-N 3.03Å; H51-K55 WeakPolarHBondContact O-CB 3.49Å; H51-K55 PolarHBondContact O-N 2.99Å; H51-F77 HydrophobicContact CB-CE2 4.04Å; H51-F77 HydrophobicContact CB-CZ 4.39Å; H51-I80 WeakPolarHBondContact ND1-CG2 3.34Å
52Y95.3Very high95.4Very high49 Ų4931 Ų3119%0.19215%0.15CC..Hα-helixtrans-63.2-45.4-179.7-178.1-99.8000112.1S48 F49 V50 K55 K56 W57 F177 R178S48-Y52 VanDerWaalsContact O-CB 3.26Å; S48-Y52 WeakPolarHBondContact O-CB 3.32Å; S48-Y52 PolarHBondContact O-N 2.85Å; S48-Y52 VanDerWaalsContact O-N 3.15Å; F49-Y52 PolarHBondContact O-N 2.87Å; V50-Y52 PolarHBondContact O-N 2.76Å; Y52-K55 PolarHBondContact O-N 3.24Å; Y52-K56 HydrophobicContact CD2-CG 4.23Å; Y52-K56 HydrophobicContact CE1-CG 4.21Å; Y52-K56 HydrophobicContact CE2-CG 3.87Å; Y52-K56 WeakPolarHBondContact O-CB 3.49Å; Y52-K56 WeakPolarHBondContact O-CG 3.46Å; Y52-K56 PolarHBondContact O-N 3.4Å; Y52-K56 VanDerWaalsContact O-N 3.08Å; Y52-W57 HydrophobicContact CD1-CH2 4.37Å; Y52-W57 AromaticContact CD1-CZ3 3.86Å; Y52-W57 HydrophobicContact CD1-CZ3 3.86Å; Y52-W57 AromaticContact CE1-CH2 3.63Å; Y52-W57 HydrophobicContact CE1-CH2 3.63Å; Y52-W57 AromaticContact CE1-CZ3 3.57Å; Y52-W57 HydrophobicContact CE1-CZ3 3.57Å; Y52-F177 HydrophobicContact CD1-CD2 4.49Å; Y52-F177 AromaticContact CD1-CE2 3.64Å; Y52-F177 HydrophobicContact CD1-CE2 3.64Å; Y52-F177 HydrophobicContact CD1-CZ 4.28Å; Y52-F177 HydrophobicContact CE1-CE2 4.44Å; Y52-F177 AromaticContact CG-CE2 3.95Å; Y52-F177 HydrophobicContact CG-CE2 3.95Å; Y52-F177 HydrophobicContact CG-CZ 4.18Å; Y52-R178 HydrophobicContact CD1-CB 4.49Å; Y52-R178 HydrophobicContact CD1-CG 3.91Å; Y52-R178 HydrophobicContact CD2-CG 4.17Å; Y52-R178 HydrophobicContact CE1-CB 3.75Å; Y52-R178 HydrophobicContact CE1-CG 3.62Å; Y52-R178 HydrophobicContact CE2-CB 4.44Å; Y52-R178 HydrophobicContact CE2-CG 3.9Å; Y52-R178 HydrophobicContact CG-CG 4.17Å
53V95.1Very high95.5Very high0 Ų030.9 Ų30.90%015%0.149CC..Hα-helixtrans-65.9-47.3-177.1171.60000111.4I31 F49 V50 K55 K56 W57 L59 I61I31-V53 HydrophobicContact CD1-CG1 4.42Å; F49-V53 HydrophobicContact CD1-CG2 4.28Å; F49-V53 HydrophobicContact CD2-CG2 4.26Å; F49-V53 HydrophobicContact CE1-CG2 3.85Å; F49-V53 HydrophobicContact CE2-CG2 3.85Å; F49-V53 HydrophobicContact CG-CG2 4.44Å; F49-V53 HydrophobicContact CZ-CG2 3.6Å; F49-V53 WeakPolarHBondContact O-CB 3.46Å; F49-V53 WeakPolarHBondContact O-CG2 3.23Å; F49-V53 PolarHBondContact O-N 3.39Å; V50-V53 PolarHBondContact O-N 3.28Å; V53-K55 VanDerWaalsContact C-N 3.28Å; V53-K55 PolarHBondContact O-N 3.47Å; V53-K56 PolarHBondContact O-N 2.7Å; V53-W57 HydrophobicContact CB-CE3 4.42Å; V53-W57 HydrophobicContact CG1-CE3 4.31Å; V53-W57 HydrophobicContact CG2-CE3 4.39Å; V53-W57 HydrophobicContact CG2-CZ3 4.2Å; V53-W57 PolarHBondContact O-N 3.08Å; V53-L59 HydrophobicContact CG1-CD1 3.72Å; V53-I61 HydrophobicContact CB-CD1 4.05Å; V53-I61 HydrophobicContact CG1-CD1 3.85Å; V53-I61 HydrophobicContact CG1-CG1 4.36Å
54L94.1Very high95.5Very high1 Ų132.6 Ų32.61%0.00516%0.157CC..Hα-helixtrans-61.3-37.5179.7-68.2169.5000112.1V50 I61 Y84 N116 S119 V121V50-L54 HydrophobicContact CG1-CD1 3.53Å; V50-L54 HydrophobicContact CG1-CG 4.31Å; V50-L54 WeakPolarHBondContact O-CB 3.14Å; V50-L54 VanDerWaalsContact O-CG 3.22Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 3.28Å; L54-I61 HydrophobicContact CD1-CD1 4.44Å; L54-I61 HydrophobicContact CD2-CD1 3.82Å; L54-I61 HydrophobicContact CD2-CG1 4Å; L54-I61 HydrophobicContact CG-CD1 3.75Å; L54-I61 HydrophobicContact CG-CG1 4.48Å; L54-Y84 HydrophobicContact CB-CD1 4.13Å; L54-Y84 HydrophobicContact CB-CD2 4.45Å; L54-Y84 HydrophobicContact CB-CE1 3.76Å; L54-Y84 HydrophobicContact CB-CE2 4.11Å; L54-Y84 HydrophobicContact CB-CG 4.45Å; L54-Y84 HydrophobicContact CD1-CD1 4.18Å; L54-Y84 HydrophobicContact CD1-CD2 3.66Å; L54-Y84 HydrophobicContact CD1-CE2 4.03Å; L54-Y84 HydrophobicContact CD1-CG 3.73Å; L54-Y84 HydrophobicContact CD2-CD1 4.1Å; L54-Y84 HydrophobicContact CD2-CG 4.32Å; L54-Y84 HydrophobicContact CG-CD1 4.37Å; L54-Y84 HydrophobicContact CG-CE1 4.48Å; L54-Y84 HydrophobicContact CG-CG 4.4Å; L54-N116 VanDerWaalsContact O-CB 3.3Å; L54-N116 WeakPolarHBondContact O-CB 3.4Å; L54-N116 PolarHBondContact O-ND2 3.45Å; L54-S119 PolarHBondContact O-OG 2.92Å; L54-S119 VanDerWaalsContact O-OG 3.08Å; L54-V121 HydrophobicContact CD1-CG2 3.65Å; L54-V121 HydrophobicContact CD2-CG2 4.05Å; L54-V121 HydrophobicContact CG-CG2 4.47Å
55K92.7Very high95.5Very high52 Ų5231 Ų3123%0.22616%0.156CC..Hα-helixtrans-71.2-35.4178178173.7163.3177.70113H51 Y52 V53 E110 S113H51-K55 WeakPolarHBondContact O-CB 3.49Å; H51-K55 PolarHBondContact O-N 2.99Å; Y52-K55 PolarHBondContact O-N 3.24Å; V53-K55 VanDerWaalsContact C-N 3.28Å; V53-K55 PolarHBondContact O-N 3.47Å; K55-E110 IonicContact NZ-OE2 2.6Å; K55-E110 PolarHBondContact NZ-OE2 2.8Å; K55-S113 WeakPolarHBondContact CD-OG 3.38Å; K55-S113 WeakPolarHBondContact CE-OG 3.41Å; K55-S113 PolarHBondContact NZ-OG 2.75Å
56K94Very high95.4Very high97 Ų9735 Ų3542%0.42218%0.175SC..Hα-helixtrans-94.8-28.7-170-72-67.2-176.4-173.50114.8Y52 V53Y52-K56 HydrophobicContact CD2-CG 4.23Å; Y52-K56 HydrophobicContact CE1-CG 4.21Å; Y52-K56 HydrophobicContact CE2-CG 3.87Å; Y52-K56 WeakPolarHBondContact O-CB 3.49Å; Y52-K56 WeakPolarHBondContact O-CG 3.46Å; Y52-K56 PolarHBondContact O-N 3.4Å; Y52-K56 VanDerWaalsContact O-N 3.08Å; V53-K56 PolarHBondContact O-N 2.7Å
57W94.3Very high95.3Very high59 Ų5935 Ų3522%0.22318%0.175CC..SBendtrans-132.9152.5-175.6-63.7-82.1000112Y52 V53 L59 N116 S119 M181 K182 L185Y52-W57 HydrophobicContact CD1-CH2 4.37Å; Y52-W57 AromaticContact CD1-CZ3 3.86Å; Y52-W57 HydrophobicContact CD1-CZ3 3.86Å; Y52-W57 AromaticContact CE1-CH2 3.63Å; Y52-W57 HydrophobicContact CE1-CH2 3.63Å; Y52-W57 AromaticContact CE1-CZ3 3.57Å; Y52-W57 HydrophobicContact CE1-CZ3 3.57Å; V53-W57 HydrophobicContact CB-CE3 4.42Å; V53-W57 HydrophobicContact CG1-CE3 4.31Å; V53-W57 HydrophobicContact CG2-CE3 4.39Å; V53-W57 HydrophobicContact CG2-CZ3 4.2Å; V53-W57 PolarHBondContact O-N 3.08Å; W57-L59 HydrophobicContact CB-CD1 3.63Å; W57-L59 HydrophobicContact CB-CG 3.75Å; W57-L59 HydrophobicContact CG-CD1 4.32Å; W57-L59 PolarHBondContact O-N 3.08Å; W57-L59 VanDerWaalsContact O-N 3.11Å; W57-N116 PolarHBondContact O-ND2 2.87Å; W57-S119 PolarHBondContact O-OG 2.81Å; W57-M181 HydrophobicContact CH2-CB 4.07Å; W57-M181 HydrophobicContact CZ3-CB 4.4Å; W57-K182 HydrophobicContact CZ2-CB 4.14Å; W57-L185 HydrophobicContact CD2-CD1 3.51Å; W57-L185 VanDerWaalsContact CE2-CD1 3.43Å; W57-L185 HydrophobicContact CE3-CD1 4.03Å; W57-L185 HydrophobicContact CG-CD1 3.79Å; W57-L185 HydrophobicContact CH2-CD1 4.35Å; W57-L185 HydrophobicContact CZ2-CD1 3.89Å; W57-L185 HydrophobicContact CZ3-CD1 4.42Å
58D95.3Very high95.1Very high78 Ų7834.3 Ų34.342%0.41717%0.172SC..  trans-81.279.8176.9-64.7-7.4000109.7N116 R118D58-N116 PolarHBondContact OD1-ND2 3.24Å; D58-N116 PolarHBondContact OD1-OD1 3.22Å; D58-R118 HydrophobicContact CB-CB 3.96Å; D58-R118 VanDerWaalsContact CG-CD 3.47Å; D58-R118 WeakPolarHBondContact OD2-CD 3.4Å; D58-R118 IonicContact OD2-CZ 3.03Å; D58-R118 IonicContact OD2-NE 2.66Å; D58-R118 IonicContact OD2-NH1 2.67Å; D58-R118 PolarHBondContact OD2-NH1 3.11Å
59L95.3Very high95Very high5 Ų535.8 Ų35.83%0.02618%0.177CC..  trans-131.7149-170.8-65.9174.6000113.3I28 I31 V53 W57 S119 S120 L185I28-L59 HydrophobicContact CG2-CD2 3.99Å; I28-L59 WeakPolarHBondContact O-CD2 3.42Å; I31-L59 HydrophobicContact CD1-CD1 3.7Å; I31-L59 HydrophobicContact CG1-CD1 4.39Å; V53-L59 HydrophobicContact CG1-CD1 3.72Å; W57-L59 HydrophobicContact CB-CD1 3.63Å; W57-L59 HydrophobicContact CB-CG 3.75Å; W57-L59 HydrophobicContact CG-CD1 4.32Å; W57-L59 PolarHBondContact O-N 3.08Å; W57-L59 VanDerWaalsContact O-N 3.11Å; L59-S119 PolarHBondContact N-OG 2.94Å; L59-S119 VanDerWaalsContact O-CA 3.23Å; L59-S119 WeakPolarHBondContact O-CA 3.35Å; L59-S119 WeakPolarHBondContact O-CB 3.34Å; L59-S120 PolarHBondContact O-N 2.85Å; L59-L185 HydrophobicContact CD1-CD1 4.27Å; L59-L185 HydrophobicContact CD1-CD2 4.36Å
60T96.1Very high94.8Very high29 Ų2938.7 Ų38.718%0.17819%0.19CC..EExtended strand (participates in β ladder)trans-94.6120.5163.8-610000110K29 S30 I31 Y62 S120 K122K29-T60 PolarHBondContact O-N 3.34Å; S30-T60 WeakPolarHBondContact CA-O 3.29Å; I31-T60 PolarHBondContact N-O 3.2Å; T60-Y62 HydrophobicContact CG2-CD2 4Å; T60-Y62 HydrophobicContact CG2-CE2 3.51Å; T60-S120 CarbonylContact C-O 3.5Å; T60-S120 WeakPolarHBondContact CA-O 3.34Å; T60-S120 PolarHBondContact OG1-OG 2.91Å; T60-K122 HydrophobicContact CG2-CB 4.32Å; T60-K122 HydrophobicContact CG2-CD 3.98Å; T60-K122 HydrophobicContact CG2-CG 3.92Å
61I97.2Very high94.7Very high0 Ų038.7 Ų38.70%019%0.19CC..EExtended strand (participates in β ladder)trans-95.7126.2172-59.5-177.3000109.3I31 V33 V50 V53 L54 L63 S120 V121 K122I31-I61 CarbonylContact O-C 3.57Å; I31-I61 WeakPolarHBondContact O-CA 3.32Å; V33-I61 HydrophobicContact CG2-CG2 3.85Å; V50-I61 HydrophobicContact CB-CD1 4.47Å; V50-I61 HydrophobicContact CG1-CD1 4.26Å; V50-I61 HydrophobicContact CG2-CD1 4.41Å; V53-I61 HydrophobicContact CB-CD1 4.05Å; V53-I61 HydrophobicContact CG1-CD1 3.85Å; V53-I61 HydrophobicContact CG1-CG1 4.36Å; L54-I61 HydrophobicContact CD1-CD1 4.44Å; L54-I61 HydrophobicContact CD2-CD1 3.82Å; L54-I61 HydrophobicContact CD2-CG1 4Å; L54-I61 HydrophobicContact CG-CD1 3.75Å; L54-I61 HydrophobicContact CG-CG1 4.48Å; I61-L63 HydrophobicContact CG2-CD2 4.02Å; I61-L63 HydrophobicContact CG2-CG 4.1Å; I61-S120 PolarHBondContact N-O 3.19Å; I61-V121 HydrophobicContact CB-CG2 4.47Å; I61-V121 CarbonylContact O-C 3.52Å; I61-V121 WeakPolarHBondContact O-CA 3.33Å; I61-K122 PolarHBondContact O-N 3.49Å
62Y97.3Very high94.6Very high15 Ų1538.4 Ų38.46%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-99.1130.9172.6-71.1-89.1000110I31 L32 V33 T60 K122 M128 I132I31-Y62 PolarHBondContact O-N 3.13Å; L32-Y62 WeakPolarHBondContact CD1-O 3.26Å; V33-Y62 PolarHBondContact N-O 3.1Å; T60-Y62 HydrophobicContact CG2-CD2 4Å; T60-Y62 HydrophobicContact CG2-CE2 3.51Å; Y62-K122 VanDerWaalsContact CA-O 3.31Å; Y62-K122 WeakPolarHBondContact CA-O 3.47Å; Y62-K122 HydrophobicContact CD1-CB 3.9Å; Y62-K122 HydrophobicContact CE1-CB 3.76Å; Y62-K122 HydrophobicContact CE1-CD 4.32Å; Y62-M128 HydrophobicContact CD1-CE 3.9Å; Y62-M128 HydrophobicContact CE1-CE 3.49Å; Y62-M128 VanDerWaalsContact CE1-CE 3.49Å; Y62-M128 HydrophobicContact CE1-SD 3.79Å; Y62-I132 HydrophobicContact CD1-CD1 4.39Å; Y62-I132 HydrophobicContact CD2-CD1 3.43Å; Y62-I132 VanDerWaalsContact CD2-CD1 3.43Å; Y62-I132 HydrophobicContact CE2-CD1 3.9Å; Y62-I132 HydrophobicContact CG-CD1 3.7Å
63L96.3Very high94.4Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-130.8147.4178.4-60.8175.6000110V33 L46 I61 T67 L68 L71 I81 V121 K122 I123 F124V33-L63 HydrophobicContact CB-CD2 3.77Å; V33-L63 HydrophobicContact CG2-CD2 4.24Å; L46-L63 HydrophobicContact CD1-CD2 4.3Å; I61-L63 HydrophobicContact CG2-CD2 4.02Å; I61-L63 HydrophobicContact CG2-CG 4.1Å; L63-T67 HydrophobicContact CB-CG2 4.4Å; L63-T67 HydrophobicContact CD1-CG2 4.49Å; L63-T67 HydrophobicContact CD2-CG2 4.35Å; L63-L68 HydrophobicContact CD1-CD1 4.46Å; L63-L71 HydrophobicContact CD1-CD1 3.8Å; L63-I81 HydrophobicContact CD1-CD1 4.32Å; L63-V121 HydrophobicContact CD1-CG1 3.93Å; L63-V121 HydrophobicContact CG-CG1 4.42Å; L63-K122 PolarHBondContact N-O 3.05Å; L63-I123 CarbonylContact O-C 3.59Å; L63-I123 WeakPolarHBondContact O-CA 3.22Å; L63-F124 PolarHBondContact O-N 2.78Å
64E94.6Very high94.4Very high46 Ų4644.3 Ų44.322%0.21522%0.223CC..  trans-62.1150.9169.8-64.5-171.480.200110.4F37 I66 T67 L68 Q146 M150F37-E64 VanDerWaalsContact CZ-OE2 3.28Å; F37-E64 WeakPolarHBondContact CZ-OE2 3.42Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 HydrophobicContact CB-CG2 4.34Å; E64-I66 PolarHBondContact O-N 2.89Å; E64-T67 WeakPolarHBondContact O-CB 3.41Å; E64-T67 PolarHBondContact O-N 3.47Å; E64-T67 VanDerWaalsContact O-N 3.12Å; E64-L68 PolarHBondContact O-N 2.91Å; E64-Q146 PolarHBondContact OE2-NE2 2.67Å; E64-M150 HydrophobicContact CG-CE 4.45Å
65S94.1Very high94.2Very high62 Ų6251.3 Ų51.343%0.43426%0.26SS..Hα-helixtrans-56.5-46.1-17651.60000112.1T67 L68 D69S65-T67 VanDerWaalsContact C-N 3.28Å; S65-T67 PolarHBondContact O-N 3.48Å; S65-L68 PolarHBondContact O-N 3.34Å; S65-L68 VanDerWaalsContact O-N 3.08Å; S65-D69 VanDerWaalsContact O-CG 3.32Å; S65-D69 PolarHBondContact O-N 3.34Å
66I93.3Very high94.2Very high101 Ų10153.7 Ų53.752%0.51828%0.275SS..Hα-helixtrans-60.1-37.4178.9-168.3168.3000112.5F37 E64 D69 E70F37-I66 HydrophobicContact CD1-CG2 4.21Å; F37-I66 HydrophobicContact CE1-CG2 3.41Å; F37-I66 VanDerWaalsContact CE1-CG2 3.41Å; F37-I66 HydrophobicContact CZ-CG2 3.86Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 HydrophobicContact CB-CG2 4.34Å; E64-I66 PolarHBondContact O-N 2.89Å; I66-D69 PolarHBondContact O-N 3.01Å; I66-E70 WeakPolarHBondContact O-CB 3.12Å; I66-E70 PolarHBondContact O-N 3.44Å
67T94.6Very high94.2Very high1 Ų149.5 Ų49.51%0.00626%0.257CS..Hα-helixtrans-65.5-44.9174.8-55.80000110.7H35 L46 L63 E64 S65 D69 E70 L71H35-T67 WeakPolarHBondContact NE2-CB 3.45Å; H35-T67 WeakPolarHBondContact NE2-CG2 3.3Å; H35-T67 PolarHBondContact NE2-OG1 3.18Å; L46-T67 HydrophobicContact CD2-CG2 3.47Å; L46-T67 VanDerWaalsContact CD2-CG2 3.47Å; L63-T67 HydrophobicContact CB-CG2 4.4Å; L63-T67 HydrophobicContact CD1-CG2 4.49Å; L63-T67 HydrophobicContact CD2-CG2 4.35Å; E64-T67 WeakPolarHBondContact O-CB 3.41Å; E64-T67 PolarHBondContact O-N 3.47Å; E64-T67 VanDerWaalsContact O-N 3.12Å; S65-T67 VanDerWaalsContact C-N 3.28Å; S65-T67 PolarHBondContact O-N 3.48Å; T67-D69 VanDerWaalsContact C-N 3.3Å; T67-D69 PolarHBondContact O-N 3.35Å; T67-E70 PolarHBondContact O-N 3.29Å; T67-L71 HydrophobicContact CG2-CD1 4.33Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 2.93Å
68L93.3Very high94.1Very high3 Ų351 Ų512%0.01626%0.263CS..Hα-helixtrans-64.4-39179.7-174.961.6000111.1L63 E64 S65 L71 K72 I81 V85 V121 I123L63-L68 HydrophobicContact CD1-CD1 4.46Å; E64-L68 PolarHBondContact O-N 2.91Å; S65-L68 PolarHBondContact O-N 3.34Å; S65-L68 VanDerWaalsContact O-N 3.08Å; L68-L71 PolarHBondContact O-N 3.13Å; L68-K72 HydrophobicContact CG-CD 4.45Å; L68-K72 VanDerWaalsContact O-CG 3.25Å; L68-K72 WeakPolarHBondContact O-CG 3.32Å; L68-K72 PolarHBondContact O-N 2.92Å; L68-I81 HydrophobicContact CD1-CD1 3.71Å; L68-I81 HydrophobicContact CD1-CG1 4.33Å; L68-V85 HydrophobicContact CD1-CG2 4.09Å; L68-V85 HydrophobicContact CD2-CG2 4.48Å; L68-V121 HydrophobicContact CD1-CG1 4.11Å; L68-I123 HydrophobicContact CD2-CD1 4.19Å; L68-I123 HydrophobicContact CD2-CG1 3.68Å
69D93.2Very high93.9Very high81 Ų8149.7 Ų49.743%0.43326%0.259SS..Hα-helixtrans-65.4-41176.1-65.6-24.3000111.6S65 I66 T67 L71 K72 N73S65-D69 VanDerWaalsContact O-CG 3.32Å; S65-D69 PolarHBondContact O-N 3.34Å; I66-D69 PolarHBondContact O-N 3.01Å; T67-D69 VanDerWaalsContact C-N 3.3Å; T67-D69 PolarHBondContact O-N 3.35Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-L71 PolarHBondContact O-N 3.14Å; D69-K72 PolarHBondContact O-N 3.36Å; D69-K72 IonicContact OD1-NZ 3.83Å; D69-N73 VanDerWaalsContact O-CG 3.28Å; D69-N73 PolarHBondContact O-N 3.39Å; D69-N73 VanDerWaalsContact O-N 3.16Å; D69-N73 PolarHBondContact O-ND2 2.92Å
70E93.6Very high93.6Very high61 Ų6150.3 Ų50.329%0.28526%0.262SS..Hα-helixtrans-59.9-43.3173.2-171.7172.3-167.600111.8I43 I66 T67 K72 N73I43-E70 WeakPolarHBondContact CD1-OE2 3.26Å; I66-E70 WeakPolarHBondContact O-CB 3.12Å; I66-E70 PolarHBondContact O-N 3.44Å; T67-E70 PolarHBondContact O-N 3.29Å; E70-K72 VanDerWaalsContact C-N 3.33Å; E70-K72 PolarHBondContact O-N 3.18Å; E70-N73 PolarHBondContact O-N 3.06Å
71L93.5Very high93.4Very high1 Ų148.9 Ų48.91%0.00525%0.253CS..Hα-helixtrans-68.7-29.1176.9-67.1178.6000113.5I43 L46 K47 L63 T67 L68 D69 N73 D74 F77 I81I43-L71 HydrophobicContact CG2-CD2 4.42Å; L46-L71 HydrophobicContact CD2-CD1 4.15Å; L46-L71 HydrophobicContact CD2-CD2 4.29Å; L46-L71 HydrophobicContact CD2-CG 4.47Å; K47-L71 HydrophobicContact CD-CD2 4.3Å; K47-L71 HydrophobicContact CG-CD2 3.6Å; L63-L71 HydrophobicContact CD1-CD1 3.8Å; T67-L71 HydrophobicContact CG2-CD1 4.33Å; T67-L71 WeakPolarHBondContact O-CG 3.37Å; T67-L71 PolarHBondContact O-N 2.93Å; L68-L71 PolarHBondContact O-N 3.13Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-L71 PolarHBondContact O-N 3.14Å; L71-N73 VanDerWaalsContact C-N 3.31Å; L71-D74 PolarHBondContact O-N 2.85Å; L71-F77 HydrophobicContact CB-CD1 4.33Å; L71-F77 HydrophobicContact CD1-CE1 4.31Å; L71-F77 HydrophobicContact CD2-CD1 4.11Å; L71-F77 HydrophobicContact CD2-CE1 4.19Å; L71-I81 HydrophobicContact CB-CD1 4.17Å; L71-I81 HydrophobicContact CD1-CD1 3.62Å
72K92.6Very high93.1Very high65 Ų6551.2 Ų51.228%0.28326%0.264SS..Hα-helixtrans-73.6-23.8175.3-73.5172.1177.1167.90113L68 D69 E70 D74 Y78L68-K72 HydrophobicContact CG-CD 4.45Å; L68-K72 VanDerWaalsContact O-CG 3.25Å; L68-K72 WeakPolarHBondContact O-CG 3.32Å; L68-K72 PolarHBondContact O-N 2.92Å; D69-K72 PolarHBondContact O-N 3.36Å; D69-K72 IonicContact OD1-NZ 3.83Å; E70-K72 VanDerWaalsContact C-N 3.33Å; E70-K72 PolarHBondContact O-N 3.18Å; K72-D74 PolarHBondContact O-N 3.45Å; K72-Y78 HydrophobicContact CB-CD2 3.84Å; K72-Y78 HydrophobicContact CB-CE2 4.07Å; K72-Y78 HydrophobicContact CD-CE2 4.39Å; K72-Y78 HydrophobicContact CG-CD2 3.73Å; K72-Y78 HydrophobicContact CG-CE2 3.72Å
73N92.9Very high92.7Very high134 Ų13453.6 Ų53.672%0.71728%0.276SS*.THydrogen-bonded Turntrans-79.8-5.2176.7-66.9-29.9000113D69 E70 L71D69-N73 VanDerWaalsContact O-CG 3.28Å; D69-N73 PolarHBondContact O-N 3.39Å; D69-N73 VanDerWaalsContact O-N 3.16Å; D69-N73 PolarHBondContact O-ND2 2.92Å; E70-N73 PolarHBondContact O-N 3.06Å; L71-N73 VanDerWaalsContact C-N 3.31Å
74D93.1Very high92.3Very high40 Ų4054.1 Ų54.121%0.21428%0.278CS..  trans-90.4109.8175.1-174.7-55.5000110.3K47 L71 K72 L76 F77 Y78K47-D74 IonicContact NZ-OD2 3.77Å; K47-D74 PolarHBondContact NZ-OD2 3.49Å; L71-D74 PolarHBondContact O-N 2.85Å; K72-D74 PolarHBondContact O-N 3.45Å; D74-L76 PolarHBondContact O-N 3.39Å; D74-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 WeakPolarHBondContact OD1-CA 3.47Å; D74-L76 WeakPolarHBondContact OD1-CB 3.33Å; D74-L76 PolarHBondContact OD1-N 3.38Å; D74-F77 HydrophobicContact CB-CB 4Å; D74-F77 PolarHBondContact O-N 2.75Å; D74-F77 WeakPolarHBondContact OD1-CB 3.39Å; D74-F77 PolarHBondContact OD1-N 2.86Å; D74-Y78 WeakPolarHBondContact O-CB 3.39Å; D74-Y78 PolarHBondContact O-N 3.41Å
75D91.7Very high92Very high148 Ų14852.6 Ų52.679%0.79127%0.272SS*.THydrogen-bonded Turntrans-58.6-29.5-176.2-67.6-33000113.8P79D75-P79 VanDerWaalsContact O-CD 3.31Å; D75-P79 WeakPolarHBondContact O-CD 3.37Å
76L91.7Very high91.2Very high102 Ų10252.3 Ų52.353%0.53427%0.265SS..THydrogen-bonded Turntrans-85.2-32.8-178.5-63177000111.7D74D74-L76 PolarHBondContact O-N 3.39Å; D74-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 WeakPolarHBondContact OD1-CA 3.47Å; D74-L76 WeakPolarHBondContact OD1-CB 3.33Å; D74-L76 PolarHBondContact OD1-N 3.38Å
77F93.3Very high90.1Very high8 Ų850 Ų504%0.03525%0.254CS..THydrogen-bonded Turntrans-94.3-27.9-175.9-161.2-105.6000113.6K47 V50 H51 L71 D74 I80 I81K47-F77 HydrophobicContact CB-CD2 3.84Å; K47-F77 HydrophobicContact CB-CE1 4.35Å; K47-F77 HydrophobicContact CB-CE2 3.64Å; K47-F77 HydrophobicContact CB-CG 4.29Å; K47-F77 HydrophobicContact CB-CZ 3.92Å; K47-F77 HydrophobicContact CD-CB 3.77Å; K47-F77 HydrophobicContact CD-CD1 4.11Å; K47-F77 HydrophobicContact CD-CD2 3.88Å; K47-F77 HydrophobicContact CD-CG 3.65Å; K47-F77 HydrophobicContact CG-CB 4.42Å; K47-F77 HydrophobicContact CG-CD1 3.83Å; K47-F77 HydrophobicContact CG-CD2 3.84Å; K47-F77 HydrophobicContact CG-CE1 3.97Å; K47-F77 HydrophobicContact CG-CE2 3.98Å; K47-F77 HydrophobicContact CG-CG 3.76Å; K47-F77 HydrophobicContact CG-CZ 4.05Å; K47-F77 WeakPolarHBondContact O-CE2 3.27Å; K47-F77 WeakPolarHBondContact O-CZ 3.22Å; V50-F77 HydrophobicContact CB-CZ 4.32Å; V50-F77 HydrophobicContact CG1-CZ 4.25Å; H51-F77 HydrophobicContact CB-CE2 4.04Å; H51-F77 HydrophobicContact CB-CZ 4.39Å; L71-F77 HydrophobicContact CB-CD1 4.33Å; L71-F77 HydrophobicContact CD1-CE1 4.31Å; L71-F77 HydrophobicContact CD2-CD1 4.11Å; L71-F77 HydrophobicContact CD2-CE1 4.19Å; D74-F77 HydrophobicContact CB-CB 4Å; D74-F77 PolarHBondContact O-N 2.75Å; D74-F77 WeakPolarHBondContact OD1-CB 3.39Å; D74-F77 PolarHBondContact OD1-N 2.86Å; F77-I80 HydrophobicContact CD2-CD1 4.23Å; F77-I80 WeakPolarHBondContact O-CB 3.05Å; F77-I80 PolarHBondContact O-N 3.2Å; F77-I81 HydrophobicContact CD1-CB 4.25Å; F77-I81 HydrophobicContact CD1-CG2 4.4Å; F77-I81 HydrophobicContact CE1-CB 4.04Å; F77-I81 HydrophobicContact CE1-CD1 4.07Å; F77-I81 PolarHBondContact O-N 3.35Å; F77-I81 VanDerWaalsContact O-N 3.08Å
78Y93.2Very high88.6Confident91 Ų9150.2 Ų50.236%0.35726%0.256SS..Hα-helixtrans-55.3-46.2-178.9176.8-122.3000113.5K72 D74 I80 I81 Q82K72-Y78 HydrophobicContact CB-CD2 3.84Å; K72-Y78 HydrophobicContact CB-CE2 4.07Å; K72-Y78 HydrophobicContact CD-CE2 4.39Å; K72-Y78 HydrophobicContact CG-CD2 3.73Å; K72-Y78 HydrophobicContact CG-CE2 3.72Å; D74-Y78 WeakPolarHBondContact O-CB 3.39Å; D74-Y78 PolarHBondContact O-N 3.41Å; Y78-I80 PolarHBondContact O-N 3.15Å; Y78-I80 VanDerWaalsContact O-N 3.13Å; Y78-I81 HydrophobicContact CD2-CG2 4.33Å; Y78-I81 PolarHBondContact O-N 3.28Å; Y78-Q82 HydrophobicContact CD2-CB 4.21Å; Y78-Q82 HydrophobicContact CE2-CB 3.89Å; Y78-Q82 HydrophobicContact CE2-CG 4.12Å; Y78-Q82 WeakPolarHBondContact O-CB 3.37Å; Y78-Q82 PolarHBondContact O-N 3.44Å; Y78-Q82 PolarHBondContact OH-OE1 2.97Å
79P90.7Very high87.2Confident50 Ų5054 Ų5433%0.32528%0.276SS..Hα-helixtrans-60.2-27.7178-23.734.7000113.6D75 Q83D75-P79 VanDerWaalsContact O-CD 3.31Å; D75-P79 WeakPolarHBondContact O-CD 3.37Å; P79-Q83 WeakPolarHBondContact O-CG 3.13Å; P79-Q83 PolarHBondContact O-NE2 2.83Å
80I89.1Confident85.2Confident18 Ų1856.8 Ų56.89%0.09229%0.291CS..Hα-helixtrans-75.6-54.2177.8-58.3175.4000109.5H51 F77 Y78 Y84 V101 L104H51-I80 WeakPolarHBondContact ND1-CG2 3.34Å; F77-I80 HydrophobicContact CD2-CD1 4.23Å; F77-I80 WeakPolarHBondContact O-CB 3.05Å; F77-I80 PolarHBondContact O-N 3.2Å; Y78-I80 PolarHBondContact O-N 3.15Å; Y78-I80 VanDerWaalsContact O-N 3.13Å; I80-Y84 HydrophobicContact CG2-CE2 4.47Å; I80-Y84 VanDerWaalsContact O-CD2 3.26Å; I80-Y84 WeakPolarHBondContact O-CD2 3.22Å; I80-V101 HydrophobicContact CD1-CG1 4.47Å; I80-L104 HydrophobicContact CD1-CD1 4.37Å
81I91.4Very high82.8Confident0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-71.1-33.4-173.7-162.7165.2000112.4V50 L63 L68 L71 F77 Y78 Q83 Y84 V85 V121V50-I81 HydrophobicContact CG1-CD1 4.5Å; L63-I81 HydrophobicContact CD1-CD1 4.32Å; L68-I81 HydrophobicContact CD1-CD1 3.71Å; L68-I81 HydrophobicContact CD1-CG1 4.33Å; L71-I81 HydrophobicContact CB-CD1 4.17Å; L71-I81 HydrophobicContact CD1-CD1 3.62Å; F77-I81 HydrophobicContact CD1-CB 4.25Å; F77-I81 HydrophobicContact CD1-CG2 4.4Å; F77-I81 HydrophobicContact CE1-CB 4.04Å; F77-I81 HydrophobicContact CE1-CD1 4.07Å; F77-I81 PolarHBondContact O-N 3.35Å; F77-I81 VanDerWaalsContact O-N 3.08Å; Y78-I81 HydrophobicContact CD2-CG2 4.33Å; Y78-I81 PolarHBondContact O-N 3.28Å; I81-Q83 PolarHBondContact O-N 3.44Å; I81-Y84 PolarHBondContact O-N 2.93Å; I81-V85 HydrophobicContact CG1-CG2 4.25Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 2.97Å; I81-V121 HydrophobicContact CD1-CG1 4.32Å; I81-V121 HydrophobicContact CG1-CG1 4.46Å; I81-V121 HydrophobicContact CG1-CG2 4.17Å
82Q91.5Very high80.3Confident48 Ų4868.5 Ų68.522%0.22434%0.344CS..Hα-helixtrans-58-36.3-177.8-176.861.514.300112.4Y78 Y84 V85 N86Y78-Q82 HydrophobicContact CD2-CB 4.21Å; Y78-Q82 HydrophobicContact CE2-CB 3.89Å; Y78-Q82 HydrophobicContact CE2-CG 4.12Å; Y78-Q82 WeakPolarHBondContact O-CB 3.37Å; Y78-Q82 PolarHBondContact O-N 3.44Å; Y78-Q82 PolarHBondContact OH-OE1 2.97Å; Q82-Y84 VanDerWaalsContact C-N 3.33Å; Q82-Y84 PolarHBondContact O-N 3.3Å; Q82-V85 PolarHBondContact O-N 3.08Å; Q82-N86 PolarHBondContact NE2-OD1 2.81Å; Q82-N86 VanDerWaalsContact NE2-OD1 3.09Å; Q82-N86 PolarHBondContact O-N 3.47Å
83Q88.4Confident77.6Confident65 Ų6572.7 Ų72.730%0.30436%0.362SS..Hα-helixtrans-63.6-40.2178.6-60.917443.400111.6P79 I81 L87 I115P79-Q83 WeakPolarHBondContact O-CG 3.13Å; P79-Q83 PolarHBondContact O-NE2 2.83Å; I81-Q83 PolarHBondContact O-N 3.44Å; Q83-L87 WeakPolarHBondContact O-CD1 3.33Å; Q83-L87 VanDerWaalsContact O-CG 3.27Å; Q83-L87 WeakPolarHBondContact O-CG 2.91Å; Q83-L87 PolarHBondContact O-N 3.34Å; Q83-I115 HydrophobicContact CB-CD1 3.3Å; Q83-I115 HydrophobicContact CG-CD1 4.18Å
84Y89.4Confident74.7Confident12 Ų1275.3 Ų75.35%0.04737%0.37CS..Hα-helixtrans-78.2-27179-63.8-80.1000113.6L54 I80 I81 Q82 G88 I115 N116 S120 V121L54-Y84 HydrophobicContact CB-CD1 4.13Å; L54-Y84 HydrophobicContact CB-CD2 4.45Å; L54-Y84 HydrophobicContact CB-CE1 3.76Å; L54-Y84 HydrophobicContact CB-CE2 4.11Å; L54-Y84 HydrophobicContact CB-CG 4.45Å; L54-Y84 HydrophobicContact CD1-CD1 4.18Å; L54-Y84 HydrophobicContact CD1-CD2 3.66Å; L54-Y84 HydrophobicContact CD1-CE2 4.03Å; L54-Y84 HydrophobicContact CD1-CG 3.73Å; L54-Y84 HydrophobicContact CD2-CD1 4.1Å; L54-Y84 HydrophobicContact CD2-CG 4.32Å; L54-Y84 HydrophobicContact CG-CD1 4.37Å; L54-Y84 HydrophobicContact CG-CE1 4.48Å; L54-Y84 HydrophobicContact CG-CG 4.4Å; I80-Y84 HydrophobicContact CG2-CE2 4.47Å; I80-Y84 VanDerWaalsContact O-CD2 3.26Å; I80-Y84 WeakPolarHBondContact O-CD2 3.22Å; I81-Y84 PolarHBondContact O-N 2.93Å; Q82-Y84 VanDerWaalsContact C-N 3.33Å; Q82-Y84 PolarHBondContact O-N 3.3Å; Y84-G88 PolarHBondContact O-N 3.17Å; Y84-I115 HydrophobicContact CD1-CD1 4.43Å; Y84-I115 HydrophobicContact CD2-CD1 4.5Å; Y84-I115 HydrophobicContact CE1-CD1 4.14Å; Y84-I115 HydrophobicContact CE1-CG1 3.84Å; Y84-I115 HydrophobicContact CE2-CD1 4.2Å; Y84-I115 HydrophobicContact CE2-CG1 4.41Å; Y84-N116 HydrophobicContact CE1-CB 4.5Å; Y84-N116 WeakPolarHBondContact CE1-O 3.17Å; Y84-S120 WeakPolarHBondContact O-CA 3.44Å; Y84-V121 PolarHBondContact O-N 2.89Å; Y84-V121 VanDerWaalsContact O-N 3.08Å
85V86.4Confident71.8Confident14 Ų1477.4 Ų77.49%0.08539%0.393CS..Hα-helixtrans-68.1-47.4172.7173.80000110L68 I81 Q82 L87 G88 N89 V121L68-V85 HydrophobicContact CD1-CG2 4.09Å; L68-V85 HydrophobicContact CD2-CG2 4.48Å; I81-V85 HydrophobicContact CG1-CG2 4.25Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 2.97Å; Q82-V85 PolarHBondContact O-N 3.08Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.87Å; V85-G88 PolarHBondContact O-N 3.46Å; V85-N89 PolarHBondContact O-N 3.34Å; V85-V121 HydrophobicContact CG2-CB 3.99Å; V85-V121 HydrophobicContact CG2-CG1 4.18Å
86N77.5Confident68.9Low55 Ų5576.7 Ų76.729%0.29439%0.394SS..Hα-helixtrans-60.4-42.3179.1-73.6-10000112.2Q82 G88 N89Q82-N86 PolarHBondContact NE2-OD1 2.81Å; Q82-N86 VanDerWaalsContact NE2-OD1 3.09Å; Q82-N86 PolarHBondContact O-N 3.47Å; N86-G88 PolarHBondContact O-N 2.6Å; N86-N89 PolarHBondContact O-N 3.21Å
87L70.2Confident66.2Low54 Ų5476.9 Ų76.928%0.28340%0.395SS..Hα-helixtrans-62.6-25.6175.5-72.6167.1000113.3Q83 V85 I115Q83-L87 WeakPolarHBondContact O-CD1 3.33Å; Q83-L87 VanDerWaalsContact O-CG 3.27Å; Q83-L87 WeakPolarHBondContact O-CG 2.91Å; Q83-L87 PolarHBondContact O-N 3.34Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.87Å; L87-I115 HydrophobicContact CD1-CD1 4.14Å
88G62.9Low63.2Low5 Ų585.4 Ų85.45%0.05243%0.434CS..Hα-helixtrans-79.8-19.6178.800000114.5Y84 V85 N86 K122Y84-G88 PolarHBondContact O-N 3.17Å; V85-G88 PolarHBondContact O-N 3.46Å; N86-G88 PolarHBondContact O-N 2.6Å; G88-K122 WeakPolarHBondContact O-CE 3.39Å; G88-K122 PolarHBondContact O-NZ 2.78Å
89N64.1Low60.5Low83 Ų8387.5 Ų87.544%0.44445%0.447SS..SBendtrans-93.4116.6177.9-68.6-19.1000108.7V85 N86 E91 F92V85-N89 PolarHBondContact O-N 3.34Å; N86-N89 PolarHBondContact O-N 3.21Å; N89-E91 PolarHBondContact O-N 3.1Å; N89-F92 PolarHBondContact O-N 3.4Å; N89-F92 VanDerWaalsContact O-N 3.1Å
90D51.2Low57.7Low138 Ų13891.2 Ų91.274%0.73846%0.464SS*.THydrogen-bonded Turntrans-58.1-13.5-176.1-73.9-48.2000113.7
91E43.9Very low55.3Low178 Ų17893.3 Ų93.383%0.83248%0.478SS*.THydrogen-bonded Turntrans-83.6-15.2179.1-65.4-173.9159.700115.3N89N89-E91 PolarHBondContact O-N 3.1Å
92F41.8Very low52.5Low131 Ų13198.5 Ų98.558%0.57551%0.514SS*.  trans-125.962.3-173-90.4-90.3000113.3N89 Q94N89-F92 PolarHBondContact O-N 3.4Å; N89-F92 VanDerWaalsContact O-N 3.1Å; F92-Q94 PolarHBondContact O-N 3.49Å
93K35.5Very low49.7Very low153 Ų15398.4 Ų98.467%0.66553%0.526SS*.  trans-92.661.9167.1-72.5-175.3-179.1170.40112.1
94Q32.5Very low47.5Very low188 Ų188100.7 Ų100.788%0.87954%0.54SS*.  trans-178.397159.5-105.9160.821.200111.7F92F92-Q94 PolarHBondContact O-N 3.49Å
95A31.6Very low44.7Very low85 Ų85112.3 Ų112.370%0.70258%0.583SS**  trans-170.395.2149.400000108.9
96T30.4Very low42.4Very low132 Ų132118.2 Ų118.281%0.8161%0.61SS**  trans-84.4107.5166.9-35.60000106.7
97I34.4Very low40.1Very low106 Ų106123.4 Ų123.454%0.54464%0.638SS.*  trans-116.8113.2168.2-55179000106.7H99I97-H99 WeakPolarHBondContact CG2-CD2 3.44Å; I97-H99 WeakPolarHBondContact CG2-NE2 3.5Å; I97-H99 PolarHBondContact O-N 2.82Å
98E30.7Very low38.3Very low187 Ų187126.9 Ų126.987%0.87466%0.662SS**  trans-70.5110.8170.4-69.5-178.3162.300108.2
99H36.6Very low36.9Very low136 Ų136132 Ų13263%0.6370%0.704SS**  trans-117.6125.8166.9-86.3-68.6000109.7I97 V101I97-H99 WeakPolarHBondContact CG2-CD2 3.44Å; I97-H99 WeakPolarHBondContact CG2-NE2 3.5Å; I97-H99 PolarHBondContact O-N 2.82Å; H99-V101 PolarHBondContact O-N 3.28Å
100D32Very low35.8Very low127 Ų127134.1 Ų134.168%0.67971%0.711SS**  trans-76.9112.1178.8-159.44.5000109.2
101V39.5Very low35Very low63 Ų63132.9 Ų132.938%0.38271%0.713SS.*  trans-105.274.3-179.4-171.70000109.1I80 H99 G103I80-V101 HydrophobicContact CD1-CG1 4.47Å; H99-V101 PolarHBondContact O-N 3.28Å; V101-G103 VanDerWaalsContact C-N 3.33Å; V101-G103 PolarHBondContact O-N 2.87Å
102S31.8Very low34.9Very low108 Ų108130 Ų13076%0.75571%0.711SS**THydrogen-bonded Turntrans-85.872.1169.164.40000109.9
103G33Very low35.5Very low46 Ų46126.8 Ų126.847%0.47471%0.705SS.*THydrogen-bonded Turntrans-147.6-11.6-174.800000117.1V101V101-G103 VanDerWaalsContact C-N 3.33Å; V101-G103 PolarHBondContact O-N 2.87Å
104L41.4Very low37.2Very low113 Ų113129.2 Ų129.259%0.59272%0.715SS**SBendtrans-101.3112.9172.7-83.5114.2000110I80 E106I80-L104 HydrophobicContact CD1-CD1 4.37Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.26Å
105R31.7Very low39.6Very low256 Ų256122.6 Ų122.697%0.96669%0.686SS**  trans-61.891.6170.2-84.8179.2160.5-174.4-4110.2
106E38.6Very low42.3Very low139 Ų139119.8 Ų119.865%0.6566%0.659SS**  trans-125.6113.1147.6-88.1-173.4160.900107.9L104 T108 R178L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.26Å; E106-T108 PolarHBondContact O-N 3.34Å; E106-R178 IonicContact OE1-NH2 3.95Å; E106-R178 PolarHBondContact OE1-NH2 3.24Å; E106-R178 IonicContact OE2-NH2 2.82Å; E106-R178 PolarHBondContact OE2-NH2 3.22Å
107N29.2Very low45.1Very low164 Ų164118 Ų11888%0.87765%0.648SS**  trans-62.598.3169-75.6-32.9000109.1
108T32Very low47.8Very low127 Ų127121.7 Ų121.778%0.77966%0.655SS**SBendtrans174.1131146.633.70000109.8E106 E110E106-T108 PolarHBondContact O-N 3.34Å; T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 PolarHBondContact O-N 2.82Å
109A33.6Very low50.9Low113 Ų113112.9 Ų112.993%0.93461%0.614SS**SBendtrans-24.449.9170.100000121.7
110E40Very low53.7Low126 Ų126106.9 Ų106.959%0.58959%0.588SS**  trans-119.356.5166.4-82.2-164.4179.400111.4K55 T108K55-E110 IonicContact NZ-OE2 2.6Å; K55-E110 PolarHBondContact NZ-OE2 2.8Å; T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 PolarHBondContact O-N 2.82Å
111S34.8Very low56.7Low112 Ų112100.9 Ų100.978%0.78356%0.556SS**  trans-80.1132.5166-103.90000110.4
112C41Very low59.4Low117 Ų117101 Ų10179%0.79155%0.551SS**  trans65.568.5175.8-87.10000118.2
113S55.2Low62.4Low65 Ų6599.9 Ų99.946%0.45554%0.535SS..PPolyproline II helixtrans-89.8127159.160.20000111.1K55K55-S113 WeakPolarHBondContact CD-OG 3.38Å; K55-S113 WeakPolarHBondContact CE-OG 3.41Å; K55-S113 PolarHBondContact NZ-OG 2.75Å
114K71Confident65.4Low203 Ų20398.7 Ų98.788%0.88352%0.517SS*.PPolyproline II helixtrans-48.8137171.9-75.8-180176.3178.60111.3
115I82.9Confident67.7Low49 Ų4996.2 Ų96.225%0.25151%0.505SS..PPolyproline II helixtrans-54.3137.3175.4-177.7160.1000111.4Q83 Y84 L87 T117Q83-I115 HydrophobicContact CB-CD1 3.3Å; Q83-I115 HydrophobicContact CG-CD1 4.18Å; Y84-I115 HydrophobicContact CD1-CD1 4.43Å; Y84-I115 HydrophobicContact CD2-CD1 4.5Å; Y84-I115 HydrophobicContact CE1-CD1 4.14Å; Y84-I115 HydrophobicContact CE1-CG1 3.84Å; Y84-I115 HydrophobicContact CE2-CD1 4.2Å; Y84-I115 HydrophobicContact CE2-CG1 4.41Å; L87-I115 HydrophobicContact CD1-CD1 4.14Å; I115-T117 HydrophobicContact CG2-CG2 4.15Å; I115-T117 PolarHBondContact O-N 2.99Å
116N89.1Confident70.4Confident26 Ų2689.1 Ų89.114%0.13948%0.482CS..  trans-78.699.2171.4-173-5.8000110L54 W57 D58 Y84 R118 S119L54-N116 VanDerWaalsContact O-CB 3.3Å; L54-N116 WeakPolarHBondContact O-CB 3.4Å; L54-N116 PolarHBondContact O-ND2 3.45Å; W57-N116 PolarHBondContact O-ND2 2.87Å; D58-N116 PolarHBondContact OD1-ND2 3.24Å; D58-N116 PolarHBondContact OD1-OD1 3.22Å; Y84-N116 HydrophobicContact CE1-CB 4.5Å; Y84-N116 WeakPolarHBondContact CE1-O 3.17Å; N116-R118 PolarHBondContact O-N 2.76Å; N116-R118 WeakPolarHBondContact OD1-CB 3.35Å; N116-R118 PolarHBondContact OD1-N 3.15Å; N116-R118 VanDerWaalsContact OD1-N 3.08Å; N116-S119 PolarHBondContact ND2-OG 3.17Å; N116-S119 VanDerWaalsContact ND2-OG 3.14Å; N116-S119 PolarHBondContact O-N 2.84Å
117T88.5Confident72.7Confident96 Ų9687.3 Ų87.359%0.58948%0.481SS*.THydrogen-bonded Turntrans-70.9-8.6-177.556.70000114.5I115I115-T117 HydrophobicContact CG2-CG2 4.15Å; I115-T117 PolarHBondContact O-N 2.99Å
118R91.7Very high75.5Confident183 Ų18381 Ų8169%0.69145%0.447SS*.THydrogen-bonded Turntrans-90.1-13.6176.3-63.4176.9175.9-1780.6112.8D58 N116D58-R118 HydrophobicContact CB-CB 3.96Å; D58-R118 VanDerWaalsContact CG-CD 3.47Å; D58-R118 WeakPolarHBondContact OD2-CD 3.4Å; D58-R118 IonicContact OD2-CZ 3.03Å; D58-R118 IonicContact OD2-NE 2.66Å; D58-R118 IonicContact OD2-NH1 2.67Å; D58-R118 PolarHBondContact OD2-NH1 3.11Å; N116-R118 PolarHBondContact O-N 2.76Å; N116-R118 WeakPolarHBondContact OD1-CB 3.35Å; N116-R118 PolarHBondContact OD1-N 3.15Å; N116-R118 VanDerWaalsContact OD1-N 3.08Å
119S94.6Very high78.3Confident1 Ų179 Ų791%0.00743%0.425CS..  trans-89.4152.3177-61.60000111.1L54 W57 L59 N116L54-S119 PolarHBondContact O-OG 2.92Å; L54-S119 VanDerWaalsContact O-OG 3.08Å; W57-S119 PolarHBondContact O-OG 2.81Å; L59-S119 PolarHBondContact N-OG 2.94Å; L59-S119 VanDerWaalsContact O-CA 3.23Å; L59-S119 WeakPolarHBondContact O-CA 3.35Å; L59-S119 WeakPolarHBondContact O-CB 3.34Å; N116-S119 PolarHBondContact ND2-OG 3.17Å; N116-S119 VanDerWaalsContact ND2-OG 3.14Å; N116-S119 PolarHBondContact O-N 2.84Å
120S95.7Very high80.9Confident11 Ų1180.9 Ų80.98%0.07742%0.419CS..EExtended strand (participates in β ladder)trans-150.1157.5179.447.50000111.9L59 T60 I61 Y84L59-S120 PolarHBondContact O-N 2.85Å; T60-S120 CarbonylContact C-O 3.5Å; T60-S120 WeakPolarHBondContact CA-O 3.34Å; T60-S120 PolarHBondContact OG1-OG 2.91Å; I61-S120 PolarHBondContact N-O 3.19Å; Y84-S120 WeakPolarHBondContact O-CA 3.44Å
121V96.1Very high83.3Confident1 Ų180.4 Ų80.41%0.00642%0.415CS..EExtended strand (participates in β ladder)trans-115.7131.5169.6177.60000108.6L54 I61 L63 L68 I81 Y84 V85L54-V121 HydrophobicContact CD1-CG2 3.65Å; L54-V121 HydrophobicContact CD2-CG2 4.05Å; L54-V121 HydrophobicContact CG-CG2 4.47Å; I61-V121 HydrophobicContact CB-CG2 4.47Å; I61-V121 CarbonylContact O-C 3.52Å; I61-V121 WeakPolarHBondContact O-CA 3.33Å; L63-V121 HydrophobicContact CD1-CG1 3.93Å; L63-V121 HydrophobicContact CG-CG1 4.42Å; L68-V121 HydrophobicContact CD1-CG1 4.11Å; I81-V121 HydrophobicContact CD1-CG1 4.32Å; I81-V121 HydrophobicContact CG1-CG1 4.46Å; I81-V121 HydrophobicContact CG1-CG2 4.17Å; Y84-V121 PolarHBondContact O-N 2.89Å; Y84-V121 VanDerWaalsContact O-N 3.08Å; V85-V121 HydrophobicContact CG2-CB 3.99Å; V85-V121 HydrophobicContact CG2-CG1 4.18Å
122K95.1Very high86.1Confident64 Ų6475.5 Ų75.528%0.27838%0.38SS..EExtended strand (participates in β ladder)trans-130.7152.7179.3-63.1-168-178.2-156.20111T60 I61 Y62 L63 G88T60-K122 HydrophobicContact CG2-CB 4.32Å; T60-K122 HydrophobicContact CG2-CD 3.98Å; T60-K122 HydrophobicContact CG2-CG 3.92Å; I61-K122 PolarHBondContact O-N 3.49Å; Y62-K122 VanDerWaalsContact CA-O 3.31Å; Y62-K122 WeakPolarHBondContact CA-O 3.47Å; Y62-K122 HydrophobicContact CD1-CB 3.9Å; Y62-K122 HydrophobicContact CE1-CB 3.76Å; Y62-K122 HydrophobicContact CE1-CD 4.32Å; L63-K122 PolarHBondContact N-O 3.05Å; G88-K122 WeakPolarHBondContact O-CE 3.39Å; G88-K122 PolarHBondContact O-NZ 2.78Å
123I95Very high88.7Confident85 Ų8570.4 Ų70.444%0.43635%0.345SS..EExtended strand (participates in β ladder)trans-72131.8171.5-63.6173.7000108.3L63 L68 M128L63-I123 CarbonylContact O-C 3.59Å; L63-I123 WeakPolarHBondContact O-CA 3.22Å; L68-I123 HydrophobicContact CD2-CD1 4.19Å; L68-I123 HydrophobicContact CD2-CG1 3.68Å; I123-M128 WeakPolarHBondContact O-CE 3.26Å
124F95.4Very high90.6Very high22 Ų2267.3 Ų67.310%0.09632%0.323CS..  trans-76.3130.9172.1-179.5-108.8000110L32 L63 R129 I132 M150 F151L32-F124 HydrophobicContact CD1-CB 3.79Å; L32-F124 HydrophobicContact CD1-CD1 4.08Å; L32-F124 HydrophobicContact CD1-CD2 3.68Å; L32-F124 HydrophobicContact CD1-CE2 4.28Å; L32-F124 HydrophobicContact CD1-CG 3.55Å; L32-F124 HydrophobicContact CD2-CD1 4.48Å; L32-F124 HydrophobicContact CD2-CD2 4.14Å; L32-F124 HydrophobicContact CD2-CE1 4.24Å; L32-F124 HydrophobicContact CD2-CE2 3.88Å; L32-F124 HydrophobicContact CD2-CG 4.43Å; L32-F124 HydrophobicContact CD2-CZ 3.93Å; L32-F124 HydrophobicContact CG-CD2 4.44Å; L63-F124 PolarHBondContact O-N 2.78Å; F124-R129 HydrophobicContact CE2-CG 4.49Å; F124-R129 HydrophobicContact CZ-CG 3.97Å; F124-I132 HydrophobicContact CD2-CD1 4.2Å; F124-I132 HydrophobicContact CD2-CG1 4.42Å; F124-I132 HydrophobicContact CE2-CD1 4.22Å; F124-I132 HydrophobicContact CE2-CG1 3.94Å; F124-M150 HydrophobicContact CD1-CE 3.8Å; F124-M150 HydrophobicContact CE1-CE 3.48Å; F124-M150 VanDerWaalsContact CE1-CE 3.48Å; F124-M150 HydrophobicContact CZ-CE 4.36Å; F124-F151 HydrophobicContact CZ-CZ 4.29Å
125D91.2Very high91.9Very high60 Ų6057.6 Ų57.632%0.32128%0.281SS..  trans-127.8150167.5176.545.3000109.4T127 M128D125-T127 PolarHBondContact O-N 2.84Å; D125-T127 VanDerWaalsContact O-N 3.14Å; D125-T127 VanDerWaalsContact OD2-CB 3.29Å; D125-T127 WeakPolarHBondContact OD2-CB 3.28Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.41Å; D125-T127 PolarHBondContact OD2-N 3.08Å; D125-T127 PolarHBondContact OD2-OG1 3.27Å; D125-M128 HydrophobicContact CB-CE 4.38Å; D125-M128 WeakPolarHBondContact O-CA 3.49Å; D125-M128 WeakPolarHBondContact O-CB 3.26Å; D125-M128 PolarHBondContact O-N 3.4Å
126H87.5Confident92.6Very high107 Ų10755.3 Ų55.350%0.49527%0.269SS..G310 helixtrans-60.2-24.2-178.266-75000113.5M128 R129H126-M128 PolarHBondContact O-N 2.8Å; H126-R129 WeakPolarHBondContact O-CG 3.42Å; H126-R129 PolarHBondContact O-NE 3.44Å; H126-R129 VanDerWaalsContact O-NE 3.1Å
127T87.9Confident93Very high102 Ų10254 Ų5463%0.62626%0.263SS*.G310 helixtrans-67.7-19.3171.964.90000112.9D125D125-T127 PolarHBondContact O-N 2.84Å; D125-T127 VanDerWaalsContact O-N 3.14Å; D125-T127 VanDerWaalsContact OD2-CB 3.29Å; D125-T127 WeakPolarHBondContact OD2-CB 3.28Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.41Å; D125-T127 PolarHBondContact OD2-N 3.08Å; D125-T127 PolarHBondContact OD2-OG1 3.27Å
128M87.1Confident93.4Very high32 Ų3249.5 Ų49.516%0.15824%0.235CC..G310 helixtrans-94.56.7-177.1-60.8-152.9-80.800114.4Y62 I123 D125 H126 N130 K131Y62-M128 HydrophobicContact CD1-CE 3.9Å; Y62-M128 HydrophobicContact CE1-CE 3.49Å; Y62-M128 VanDerWaalsContact CE1-CE 3.49Å; Y62-M128 HydrophobicContact CE1-SD 3.79Å; I123-M128 WeakPolarHBondContact O-CE 3.26Å; D125-M128 HydrophobicContact CB-CE 4.38Å; D125-M128 WeakPolarHBondContact O-CA 3.49Å; D125-M128 WeakPolarHBondContact O-CB 3.26Å; D125-M128 PolarHBondContact O-N 3.4Å; H126-M128 PolarHBondContact O-N 2.8Å; M128-N130 PolarHBondContact O-N 3.4Å; M128-N130 VanDerWaalsContact O-N 3.14Å; M128-K131 HydrophobicContact CB-CD 4.34Å; M128-K131 HydrophobicContact CG-CD 4.34Å; M128-K131 WeakPolarHBondContact O-CB 3.36Å; M128-K131 PolarHBondContact O-N 3.19Å; M128-K131 HydrophobicContact SD-CD 4.17Å
129R90.3Very high93.6Very high83 Ų8340.8 Ų40.831%0.31320%0.202SC..G310 helixtrans-50.4-41.3179.5-78.8-175.5-77.2-124.5-2.1113.8F124 H126 K131 I132 M150 F151F124-R129 HydrophobicContact CE2-CG 4.49Å; F124-R129 HydrophobicContact CZ-CG 3.97Å; H126-R129 WeakPolarHBondContact O-CG 3.42Å; H126-R129 PolarHBondContact O-NE 3.44Å; H126-R129 VanDerWaalsContact O-NE 3.1Å; R129-K131 PolarHBondContact O-N 3.13Å; R129-I132 PolarHBondContact O-N 3.25Å; R129-M150 VanDerWaalsContact CD-O 3.23Å; R129-M150 WeakPolarHBondContact CD-O 3.27Å; R129-M150 PolarHBondContact NH1-O 3.06Å; R129-F151 HydrophobicContact CB-CD1 4.27Å; R129-F151 HydrophobicContact CB-CE1 3.93Å; R129-F151 HydrophobicContact CG-CD1 3.99Å; R129-F151 HydrophobicContact CG-CE1 3.71Å; R129-F151 HydrophobicContact CG-CZ 4.23Å
130N88.2Confident93.4Very high153 Ų15341.4 Ų41.482%0.81821%0.208SC*.G310 helixtrans-70-12.1-179.6-62.2-12.8000113.6M128M128-N130 PolarHBondContact O-N 3.4Å; M128-N130 VanDerWaalsContact O-N 3.14Å
131K90.4Very high93.3Very high117 Ų11743.1 Ų43.151%0.50922%0.217SC..G310 helixtrans-88.1-16.5177.4-62.7-176179.81750112.8S30 M128 R129S30-K131 WeakPolarHBondContact CB-O 3.33Å; S30-K131 PolarHBondContact OG-O 3.01Å; M128-K131 HydrophobicContact CB-CD 4.34Å; M128-K131 HydrophobicContact CG-CD 4.34Å; M128-K131 WeakPolarHBondContact O-CB 3.36Å; M128-K131 PolarHBondContact O-N 3.19Å; M128-K131 HydrophobicContact SD-CD 4.17Å; R129-K131 PolarHBondContact O-N 3.13Å
132I94.6Very high93.1Very high8 Ų845.1 Ų45.14%0.04124%0.238CC..  trans-81.5126.4-173.9-54.7-52.9000110.7S30 L32 Y62 F124 R129 L134 I135 P156S30-I132 WeakPolarHBondContact OG-CA 3.48Å; L32-I132 HydrophobicContact CB-CD1 4.09Å; L32-I132 HydrophobicContact CB-CG1 4.21Å; L32-I132 HydrophobicContact CB-CG2 3.65Å; Y62-I132 HydrophobicContact CD1-CD1 4.39Å; Y62-I132 HydrophobicContact CD2-CD1 3.43Å; Y62-I132 VanDerWaalsContact CD2-CD1 3.43Å; Y62-I132 HydrophobicContact CE2-CD1 3.9Å; Y62-I132 HydrophobicContact CG-CD1 3.7Å; F124-I132 HydrophobicContact CD2-CD1 4.2Å; F124-I132 HydrophobicContact CD2-CG1 4.42Å; F124-I132 HydrophobicContact CE2-CD1 4.22Å; F124-I132 HydrophobicContact CE2-CG1 3.94Å; R129-I132 PolarHBondContact O-N 3.25Å; I132-L134 WeakPolarHBondContact CG2-O 3.43Å; I132-I135 HydrophobicContact CG2-CG1 4.07Å; I132-P156 HydrophobicContact CB-CG 4.12Å; I132-P156 HydrophobicContact CG2-CB 4.42Å; I132-P156 HydrophobicContact CG2-CG 4.02Å; I132-P156 WeakPolarHBondContact O-CG 3.41Å
133D94.3Very high93.1Very high10 Ų1042.4 Ų42.45%0.05323%0.226CC..  trans-94.5-36.8-179.9-54.8-28.4000112.2K12 I28 K29 S30 P157K12-D133 WeakPolarHBondContact CD-OD1 3.34Å; K12-D133 WeakPolarHBondContact CE-OD1 3.31Å; K12-D133 IonicContact NZ-OD1 2.77Å; K12-D133 PolarHBondContact NZ-OD1 2.86Å; I28-D133 HydrophobicContact CB-CB 4.42Å; I28-D133 HydrophobicContact CG1-CB 4.22Å; I28-D133 HydrophobicContact CG2-CB 4.06Å; K29-D133 PolarHBondContact N-OD2 2.92Å; S30-D133 PolarHBondContact N-OD2 3.49Å; S30-D133 WeakPolarHBondContact O-CB 3.14Å; S30-D133 PolarHBondContact O-N 3.36Å; S30-D133 VanDerWaalsContact O-N 3.17Å; S30-D133 PolarHBondContact OG-N 3.3Å; S30-D133 PolarHBondContact OG-OD1 3.48Å; S30-D133 PolarHBondContact OG-OD2 3.34Å; D133-P157 WeakPolarHBondContact O-CD 3.47Å
134L96.3Very high93.1Very high0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans-139.8142.6-178.3179.875.5000110W24 I28 S30 I31 L32 I132 V136 P157 I159 M181 V184 L383W24-L134 HydrophobicContact CH2-CD1 3.9Å; W24-L134 HydrophobicContact CZ2-CD1 4.3Å; I28-L134 HydrophobicContact CD1-CB 4.09Å; I28-L134 HydrophobicContact CD1-CD2 4.21Å; I28-L134 HydrophobicContact CG2-CB 4.39Å; S30-L134 PolarHBondContact O-N 3.05Å; I31-L134 WeakPolarHBondContact CA-O 3.41Å; I31-L134 HydrophobicContact CD1-CD2 4.14Å; I31-L134 HydrophobicContact CG1-CB 4.35Å; I31-L134 HydrophobicContact CG1-CD2 4.31Å; L32-L134 PolarHBondContact N-O 3.01Å; I132-L134 WeakPolarHBondContact CG2-O 3.43Å; L134-V136 HydrophobicContact CD2-CG2 4.18Å; L134-P157 HydrophobicContact CD1-CB 4.3Å; L134-P157 WeakPolarHBondContact CD1-O 3.48Å; L134-I159 HydrophobicContact CD1-CG2 4.45Å; L134-I159 HydrophobicContact CD2-CG2 4.32Å; L134-M181 HydrophobicContact CD2-CE 4.01Å; L134-V184 HydrophobicContact CD1-CG1 3.97Å; L134-V184 HydrophobicContact CD2-CG1 3.91Å; L134-L383 HydrophobicContact CD1-CD1 4.22Å
135I97.7Very high93.1Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-107.8131169.7-59.3168000109.1L32 V34 I132 I147 F151 T155 P156 P157 V158 I159L32-I135 HydrophobicContact CB-CG1 4.37Å; L32-I135 HydrophobicContact CD2-CG1 4.46Å; L32-I135 CarbonylContact O-C 3.57Å; L32-I135 WeakPolarHBondContact O-CA 3.43Å; V34-I135 HydrophobicContact CG2-CG2 4.1Å; I132-I135 HydrophobicContact CG2-CG1 4.07Å; I135-I147 HydrophobicContact CD1-CG2 3.71Å; I135-I147 HydrophobicContact CG2-CD1 3.49Å; I135-I147 VanDerWaalsContact CG2-CD1 3.49Å; I135-I147 HydrophobicContact CG2-CG1 3.97Å; I135-I147 HydrophobicContact CG2-CG2 4.48Å; I135-F151 HydrophobicContact CD1-CD2 3.87Å; I135-F151 HydrophobicContact CD1-CE1 4.28Å; I135-F151 HydrophobicContact CD1-CE2 3.42Å; I135-F151 VanDerWaalsContact CD1-CE2 3.42Å; I135-F151 HydrophobicContact CD1-CG 4.49Å; I135-F151 HydrophobicContact CD1-CZ 3.66Å; I135-F151 HydrophobicContact CG1-CE2 4.31Å; I135-F151 HydrophobicContact CG1-CZ 4.28Å; I135-T155 HydrophobicContact CD1-CG2 4.09Å; I135-P156 HydrophobicContact CD1-CB 4.23Å; I135-P156 HydrophobicContact CD1-CG 4.12Å; I135-P156 HydrophobicContact CG1-CB 4.14Å; I135-P156 HydrophobicContact CG1-CG 4.29Å; I135-P157 PolarHBondContact N-O 3.36Å; I135-V158 HydrophobicContact CB-CG1 4.43Å; I135-V158 HydrophobicContact CB-CG2 4.17Å; I135-V158 HydrophobicContact CD1-CG2 4.28Å; I135-V158 HydrophobicContact CG2-CG1 4.31Å; I135-V158 WeakPolarHBondContact O-CA 3.47Å; I135-I159 PolarHBondContact O-N 3.48Å
136V98.2Very high93.2Very high0 Ų036.6 Ų36.60%020%0.196CC..EExtended strand (participates in β ladder)trans-108.3116.4172.4175.30000108I31 L32 V33 V34 F49 L134 L138 I159 F161 M181I31-V136 HydrophobicContact CG2-CB 4.12Å; I31-V136 HydrophobicContact CG2-CG2 3.49Å; I31-V136 VanDerWaalsContact CG2-CG2 3.49Å; L32-V136 PolarHBondContact O-N 3.43Å; V33-V136 CarbonylContact C-O 3.5Å; V33-V136 WeakPolarHBondContact CA-O 3.34Å; V33-V136 HydrophobicContact CG1-CG1 4.49Å; V33-V136 HydrophobicContact CG2-CB 4.33Å; V34-V136 PolarHBondContact N-O 3.08Å; F49-V136 HydrophobicContact CE1-CG1 4.2Å; F49-V136 HydrophobicContact CE1-CG2 4.48Å; F49-V136 HydrophobicContact CE2-CG1 3.89Å; F49-V136 HydrophobicContact CE2-CG2 4.43Å; F49-V136 HydrophobicContact CZ-CB 4.13Å; F49-V136 HydrophobicContact CZ-CG1 3.72Å; F49-V136 HydrophobicContact CZ-CG2 3.76Å; L134-V136 HydrophobicContact CD2-CG2 4.18Å; V136-L138 HydrophobicContact CG1-CD2 3.88Å; V136-L138 HydrophobicContact CG1-CG 4.21Å; V136-I159 HydrophobicContact CB-CG2 4.22Å; V136-I159 HydrophobicContact CG1-CG2 4.43Å; V136-I159 HydrophobicContact CG2-CG2 3.63Å; V136-F161 HydrophobicContact CG1-CD2 3.98Å; V136-F161 HydrophobicContact CG1-CE2 4.06Å; V136-M181 HydrophobicContact CG2-CE 4.34Å; V136-M181 HydrophobicContact CG2-SD 4.15Å
137C97.6Very high93.6Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-97.6123.9176.6174.30000109.6V34 T143 I147 V158 I159 A160 F161V34-C137 CarbonylContact O-C 3.56Å; V34-C137 VanDerWaalsContact O-CA 3.3Å; V34-C137 WeakPolarHBondContact O-CA 3.47Å; C137-T143 WeakPolarHBondContact SG-CG2 3.45Å; C137-I147 HydrophobicContact CB-CD1 3.75Å; C137-V158 HydrophobicContact CB-CG1 4.09Å; C137-I159 PolarHBondContact N-O 3.48Å; C137-A160 HydrophobicContact CB-CB 4Å; C137-F161 PolarHBondContact O-N 3.21Å
138L97Very high93.8Very high0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-11797.6177.3-58.9-175.9000109.7V33 V34 H35 K36 V42 L46 F49 V136 F161 L163 F174V33-L138 HydrophobicContact CG1-CD1 3.73Å; V33-L138 HydrophobicContact CG1-CG 3.99Å; V34-L138 PolarHBondContact O-N 3.25Å; H35-L138 CarbonylContact C-O 3.58Å; H35-L138 WeakPolarHBondContact CA-O 3.25Å; H35-L138 HydrophobicContact CB-CB 3.84Å; H35-L138 WeakPolarHBondContact CB-O 3.47Å; K36-L138 PolarHBondContact N-O 3.22Å; V42-L138 HydrophobicContact CG1-CB 4.29Å; L46-L138 HydrophobicContact CB-CD1 4.05Å; L46-L138 HydrophobicContact CD1-CD1 3.84Å; F49-L138 HydrophobicContact CB-CD1 4.49Å; V136-L138 HydrophobicContact CG1-CD2 3.88Å; V136-L138 HydrophobicContact CG1-CG 4.21Å; L138-F161 HydrophobicContact CD2-CB 3.92Å; L138-F161 HydrophobicContact CD2-CD2 3.78Å; L138-F161 HydrophobicContact CD2-CG 4.23Å; L138-L163 HydrophobicContact CB-CD1 3.8Å; L138-F174 HydrophobicContact CD2-CD2 3.91Å; L138-F174 HydrophobicContact CD2-CE2 3.83Å
139G94.4Very high94Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans161.1-135.1-17800000113.8F161 R162 L163G139-F161 PolarHBondContact N-O 3.3Å; G139-R162 WeakPolarHBondContact O-CA 3.39Å; G139-L163 PolarHBondContact O-N 3.21Å
140G92Very high94.2Very high14 Ų1423.8 Ų23.814%0.14414%0.137CC..SBendtrans-123.8-162.2178.200000111.6G142 T143 L144G140-G142 VanDerWaalsContact C-N 3.31Å; G140-G142 PolarHBondContact O-N 2.91Å; G140-T143 PolarHBondContact N-OG1 3.37Å; G140-T143 WeakPolarHBondContact O-CB 3.41Å; G140-T143 PolarHBondContact O-N 2.81Å; G140-L144 PolarHBondContact O-N 3.17Å
141D92.7Very high94.5Very high48 Ų4816.7 Ų16.726%0.25710%0.098SC..Hα-helixtrans-61.6-39.1-174.6-59.5-19.5000112.2T143 L144 L145 G167 F168 L169D141-T143 PolarHBondContact O-N 2.78Å; D141-L144 WeakPolarHBondContact O-CB 3.44Å; D141-L144 PolarHBondContact O-N 2.9Å; D141-L145 WeakPolarHBondContact O-CG 3.5Å; D141-L145 PolarHBondContact O-N 3.28Å; D141-G167 VanDerWaalsContact OD1-C 3.3Å; D141-G167 WeakPolarHBondContact OD1-CA 3.42Å; D141-F168 VanDerWaalsContact CG-N 3.35Å; D141-F168 PolarHBondContact OD1-N 2.91Å; D141-F168 PolarHBondContact OD2-N 2.84Å; D141-L169 HydrophobicContact CB-CB 4.48Å; D141-L169 HydrophobicContact CB-CD1 4.09Å; D141-L169 HydrophobicContact CB-CG 4.23Å; D141-L169 WeakPolarHBondContact OD1-CA 3.36Å; D141-L169 WeakPolarHBondContact OD1-CB 3.37Å; D141-L169 PolarHBondContact OD1-N 2.98Å
142G92.6Very high94.6Very high43 Ų4313.7 Ų13.744%0.4439%0.086SC..Hα-helixtrans-61.4-28.4176.800000114.3G140 L145 Q146G140-G142 VanDerWaalsContact C-N 3.31Å; G140-G142 PolarHBondContact O-N 2.91Å; G142-L145 PolarHBondContact O-N 3Å; G142-Q146 PolarHBondContact O-N 2.8Å; G142-Q146 VanDerWaalsContact O-N 3.14Å
143T94.2Very high94.5Very high6 Ų614.2 Ų14.24%0.0379%0.094CC..Hα-helixtrans-71.8-37.6174.4-48.50000110.6V34 C137 G140 D141 Q146 I147V34-T143 HydrophobicContact CG1-CG2 4.04Å; C137-T143 WeakPolarHBondContact SG-CG2 3.45Å; G140-T143 PolarHBondContact N-OG1 3.37Å; G140-T143 WeakPolarHBondContact O-CB 3.41Å; G140-T143 PolarHBondContact O-N 2.81Å; D141-T143 PolarHBondContact O-N 2.78Å; T143-Q146 WeakPolarHBondContact O-CB 3.31Å; T143-Q146 PolarHBondContact O-N 3.04Å; T143-I147 PolarHBondContact O-N 2.66Å
144L94.8Very high94.3Very high2 Ų217.2 Ų17.21%0.0111%0.109CC..Hα-helixtrans-66.8-38.7173-170.871000111.8G140 D141 Q146 I147 G148 V158 L169 L255G140-L144 PolarHBondContact O-N 3.17Å; D141-L144 WeakPolarHBondContact O-CB 3.44Å; D141-L144 PolarHBondContact O-N 2.9Å; L144-Q146 VanDerWaalsContact C-N 3.26Å; L144-Q146 PolarHBondContact O-N 3.22Å; L144-I147 HydrophobicContact CD1-CD1 4.09Å; L144-I147 WeakPolarHBondContact O-CB 3.24Å; L144-I147 PolarHBondContact O-N 3.38Å; L144-I147 VanDerWaalsContact O-N 3.12Å; L144-G148 PolarHBondContact O-N 2.69Å; L144-V158 HydrophobicContact CD1-CB 4.36Å; L144-V158 HydrophobicContact CD1-CG1 3.65Å; L144-L169 HydrophobicContact CD2-CB 3.48Å; L144-L169 VanDerWaalsContact CD2-CB 3.48Å; L144-L169 HydrophobicContact CD2-CD1 3.87Å; L144-L169 HydrophobicContact CD2-CG 4.23Å; L144-L255 HydrophobicContact CD2-CD2 4.05Å; L144-L255 HydrophobicContact CG-CD2 4.19Å
145L95.4Very high94.1Very high19 Ų1917.4 Ų17.410%0.09911%0.11CC..Hα-helixtrans-62.2-34.9175.3-60.7176.2000112.2D141 G142 I147 G148 S149 L255 N256 D356D141-L145 WeakPolarHBondContact O-CG 3.5Å; D141-L145 PolarHBondContact O-N 3.28Å; G142-L145 PolarHBondContact O-N 3Å; L145-I147 VanDerWaalsContact C-N 3.27Å; L145-I147 PolarHBondContact O-N 2.87Å; L145-G148 PolarHBondContact O-N 3.38Å; L145-G148 VanDerWaalsContact O-N 3.11Å; L145-S149 PolarHBondContact O-N 3.26Å; L145-L255 HydrophobicContact CD2-CB 3.9Å; L145-L255 HydrophobicContact CD2-CD2 3.98Å; L145-L255 HydrophobicContact CD2-CG 4.29Å; L145-N256 HydrophobicContact CD2-CB 4.11Å; L145-N256 VanDerWaalsContact CD2-CG 3.48Å; L145-N256 WeakPolarHBondContact CD2-ND2 3.11Å; L145-D356 HydrophobicContact CB-CB 4.32Å; L145-D356 HydrophobicContact CD1-CB 4.23Å; L145-D356 HydrophobicContact CD2-CB 4.29Å
146Q94.2Very high93.9Very high24 Ų2417.9 Ų17.911%0.11211%0.113CC..Hα-helixtrans-59.1-39.5174.1-173.2171.5-25.300111.9V34 E64 G142 T143 L144 G148 S149 M150V34-Q146 HydrophobicContact CG1-CG 4.37Å; E64-Q146 PolarHBondContact OE2-NE2 2.67Å; G142-Q146 PolarHBondContact O-N 2.8Å; G142-Q146 VanDerWaalsContact O-N 3.14Å; T143-Q146 WeakPolarHBondContact O-CB 3.31Å; T143-Q146 PolarHBondContact O-N 3.04Å; L144-Q146 VanDerWaalsContact C-N 3.26Å; L144-Q146 PolarHBondContact O-N 3.22Å; Q146-G148 VanDerWaalsContact C-N 3.27Å; Q146-G148 PolarHBondContact O-N 3.39Å; Q146-S149 PolarHBondContact O-N 3.13Å; Q146-S149 PolarHBondContact O-OG 3.28Å; Q146-M150 HydrophobicContact CG-CG 4.33Å; Q146-M150 HydrophobicContact CG-SD 4.01Å; Q146-M150 WeakPolarHBondContact O-CG 3.1Å; Q146-M150 PolarHBondContact O-N 3.03Å
147I95.6Very high93.8Very high1 Ų117.9 Ų17.91%0.00511%0.113CC..Hα-helixtrans-59.4-41176.4-66.8164000110.9V34 I135 C137 T143 L144 L145 S149 M150 F151 T155 V158V34-I147 HydrophobicContact CB-CD1 4.31Å; V34-I147 HydrophobicContact CB-CG1 4.06Å; V34-I147 HydrophobicContact CG1-CG1 4.13Å; V34-I147 HydrophobicContact CG2-CD1 4.46Å; V34-I147 HydrophobicContact CG2-CG1 3.93Å; I135-I147 HydrophobicContact CD1-CG2 3.71Å; I135-I147 HydrophobicContact CG2-CD1 3.49Å; I135-I147 VanDerWaalsContact CG2-CD1 3.49Å; I135-I147 HydrophobicContact CG2-CG1 3.97Å; I135-I147 HydrophobicContact CG2-CG2 4.48Å; C137-I147 HydrophobicContact CB-CD1 3.75Å; T143-I147 PolarHBondContact O-N 2.66Å; L144-I147 HydrophobicContact CD1-CD1 4.09Å; L144-I147 WeakPolarHBondContact O-CB 3.24Å; L144-I147 PolarHBondContact O-N 3.38Å; L144-I147 VanDerWaalsContact O-N 3.12Å; L145-I147 VanDerWaalsContact C-N 3.27Å; L145-I147 PolarHBondContact O-N 2.87Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.18Å; I147-M150 PolarHBondContact O-N 2.97Å; I147-M150 VanDerWaalsContact O-N 3.14Å; I147-F151 HydrophobicContact CG2-CD2 4.06Å; I147-F151 WeakPolarHBondContact O-CD2 3.49Å; I147-F151 PolarHBondContact O-N 3.16Å; I147-T155 HydrophobicContact CG2-CG2 4Å; I147-V158 HydrophobicContact CD1-CG1 3.72Å; I147-V158 HydrophobicContact CG2-CG2 4.15Å
148G92.5Very high93.8Very high1 Ų118 Ų181%0.0111%0.114CC..Hα-helixtrans-55.9-44.7173.700000112.4L144 L145 Q146 F151 Q152 R196L144-G148 PolarHBondContact O-N 2.69Å; L145-G148 PolarHBondContact O-N 3.38Å; L145-G148 VanDerWaalsContact O-N 3.11Å; Q146-G148 VanDerWaalsContact C-N 3.27Å; Q146-G148 PolarHBondContact O-N 3.39Å; G148-F151 CarbonylContact O-C 3.58Å; G148-F151 PolarHBondContact O-N 3.02Å; G148-Q152 PolarHBondContact O-NE2 2.61Å; G148-R196 PolarHBondContact O-NH1 3.31Å
149S91.5Very high93.8Very high31 Ų3118 Ų1822%0.21711%0.114CC..Hα-helixtrans-67.2-34.9176.673.60000113.3L145 Q146 I147 Q152 Y252L145-S149 PolarHBondContact O-N 3.26Å; Q146-S149 PolarHBondContact O-N 3.13Å; Q146-S149 PolarHBondContact O-OG 3.28Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.18Å; S149-Q152 PolarHBondContact O-NE2 3.44Å; S149-Y252 WeakPolarHBondContact CB-OH 3.47Å
150M94.1Very high93.9Very high23 Ų2318.1 Ų18.111%0.11312%0.115CC..Hα-helixtrans-72-33179.5-67.9171.48300112L32 V34 E64 F124 R129 Q146 I147L32-M150 HydrophobicContact CD2-CE 4.1Å; V34-M150 HydrophobicContact CG1-SD 4.12Å; V34-M150 HydrophobicContact CG2-CE 4.17Å; V34-M150 HydrophobicContact CG2-SD 3.88Å; E64-M150 HydrophobicContact CG-CE 4.45Å; F124-M150 HydrophobicContact CD1-CE 3.8Å; F124-M150 HydrophobicContact CE1-CE 3.48Å; F124-M150 VanDerWaalsContact CE1-CE 3.48Å; F124-M150 HydrophobicContact CZ-CE 4.36Å; R129-M150 VanDerWaalsContact CD-O 3.23Å; R129-M150 WeakPolarHBondContact CD-O 3.27Å; R129-M150 PolarHBondContact NH1-O 3.06Å; Q146-M150 HydrophobicContact CG-CG 4.33Å; Q146-M150 HydrophobicContact CG-SD 4.01Å; Q146-M150 WeakPolarHBondContact O-CG 3.1Å; Q146-M150 PolarHBondContact O-N 3.03Å; I147-M150 PolarHBondContact O-N 2.97Å; I147-M150 VanDerWaalsContact O-N 3.14Å
151F94.3Very high94.1Very high3 Ų317.4 Ų17.41%0.01311%0.108CC..  trans-114.880.5-175.7-68.7-97.3000111.6L32 F124 R129 I135 I147 G148 G153 T155 P156 R196L32-F151 HydrophobicContact CD2-CE2 3.66Å; L32-F151 HydrophobicContact CD2-CZ 3.69Å; F124-F151 HydrophobicContact CZ-CZ 4.29Å; R129-F151 HydrophobicContact CB-CD1 4.27Å; R129-F151 HydrophobicContact CB-CE1 3.93Å; R129-F151 HydrophobicContact CG-CD1 3.99Å; R129-F151 HydrophobicContact CG-CE1 3.71Å; R129-F151 HydrophobicContact CG-CZ 4.23Å; I135-F151 HydrophobicContact CD1-CD2 3.87Å; I135-F151 HydrophobicContact CD1-CE1 4.28Å; I135-F151 HydrophobicContact CD1-CE2 3.42Å; I135-F151 VanDerWaalsContact CD1-CE2 3.42Å; I135-F151 HydrophobicContact CD1-CG 4.49Å; I135-F151 HydrophobicContact CD1-CZ 3.66Å; I135-F151 HydrophobicContact CG1-CE2 4.31Å; I135-F151 HydrophobicContact CG1-CZ 4.28Å; I147-F151 HydrophobicContact CG2-CD2 4.06Å; I147-F151 WeakPolarHBondContact O-CD2 3.49Å; I147-F151 PolarHBondContact O-N 3.16Å; G148-F151 CarbonylContact O-C 3.58Å; G148-F151 PolarHBondContact O-N 3.02Å; F151-G153 PolarHBondContact O-N 3.24Å; F151-T155 HydrophobicContact CB-CG2 4.19Å; F151-T155 HydrophobicContact CG-CG2 4.34Å; F151-P156 HydrophobicContact CE1-CG 3.98Å; F151-R196 PolarHBondContact O-NH1 3.04Å; F151-R196 PolarHBondContact O-NH2 2.79Å
152Q93.5Very high94.1Very high55 Ų5518.9 Ų18.926%0.25711%0.11SC..SBendtrans-73.428.5176.9-64.1-63.7-6400114.2G148 S149 Y252 H253G148-Q152 PolarHBondContact O-NE2 2.61Å; S149-Q152 PolarHBondContact O-NE2 3.44Å; Q152-Y252 VanDerWaalsContact OE1-CD2 3.24Å; Q152-H253 PolarHBondContact NE2-O 3.14Å; Q152-H253 PolarHBondContact O-CD2 3.49Å
153G90.9Very high94.1Very high19 Ų1917.8 Ų17.820%0.1969%0.094CC..SBendtrans-162-141.4179.600000109.4F151 T155 R196 F378F151-G153 PolarHBondContact O-N 3.24Å; G153-T155 PolarHBondContact O-N 3.04Å; G153-T155 PolarHBondContact O-OG1 3.25Å; G153-R196 PolarHBondContact O-NH2 3.43Å; G153-F378 WeakPolarHBondContact O-CB 3.36Å
154I90.4Very high93.3Very high73 Ų7320.7 Ų20.737%0.37413%0.125SC..  trans-55.1129.8174.6-60.8153.7000109.8H9 F378H9-I154 HydrophobicContact CB-CD1 3.32Å; H9-I154 HydrophobicContact CB-CG1 4.28Å; H9-I154 VanDerWaalsContact CG-CD1 3.49Å; I154-F378 HydrophobicContact CG1-CD1 4.16Å; I154-F378 HydrophobicContact CG1-CE1 4.32Å
155T92.9Very high92.2Very high3 Ų326.1 Ų26.12%0.01816%0.158CC..  trans-110.8125.5179.4-54.90000108.8I135 I147 F151 G153 V158 V380 P381I135-T155 HydrophobicContact CD1-CG2 4.09Å; I147-T155 HydrophobicContact CG2-CG2 4Å; F151-T155 HydrophobicContact CB-CG2 4.19Å; F151-T155 HydrophobicContact CG-CG2 4.34Å; G153-T155 PolarHBondContact O-N 3.04Å; G153-T155 PolarHBondContact O-OG1 3.25Å; T155-V158 HydrophobicContact CG2-CG2 4.32Å; T155-V380 HydrophobicContact CG2-CG1 4.09Å; T155-V380 HydrophobicContact CG2-CG2 4.43Å; T155-P381 WeakPolarHBondContact O-CD 3.14Å; T155-P381 VanDerWaalsContact O-CG 3.23Å; T155-P381 WeakPolarHBondContact O-CG 3.49Å
156P93.9Very high91.1Very high11 Ų1129.3 Ų29.37%0.07118%0.175CC..  trans-58.4157.4170.4-20.128.6000112I132 I135 F151 V158I132-P156 HydrophobicContact CB-CG 4.12Å; I132-P156 HydrophobicContact CG2-CB 4.42Å; I132-P156 HydrophobicContact CG2-CG 4.02Å; I132-P156 WeakPolarHBondContact O-CG 3.41Å; I135-P156 HydrophobicContact CD1-CB 4.23Å; I135-P156 HydrophobicContact CD1-CG 4.12Å; I135-P156 HydrophobicContact CG1-CB 4.14Å; I135-P156 HydrophobicContact CG1-CG 4.29Å; F151-P156 HydrophobicContact CE1-CG 3.98Å; P156-V158 PolarHBondContact O-N 3.48Å
157P95Very high90.2Very high0 Ų028.5 Ų28.50%017%0.173CC..  trans-55.1139.2175.2-25.237.2000111.8F13 V22 W24 D133 L134 I135 P381 L383F13-P157 HydrophobicContact CB-CG 4.47Å; F13-P157 HydrophobicContact CD1-CG 3.66Å; F13-P157 HydrophobicContact CD2-CG 3.91Å; F13-P157 HydrophobicContact CE1-CG 3.76Å; F13-P157 HydrophobicContact CE2-CG 3.97Å; F13-P157 HydrophobicContact CG-CG 3.75Å; F13-P157 HydrophobicContact CZ-CG 3.92Å; V22-P157 HydrophobicContact CG1-CG 4.26Å; W24-P157 HydrophobicContact CH2-CB 3.82Å; W24-P157 HydrophobicContact CH2-CG 3.67Å; W24-P157 HydrophobicContact CZ3-CB 4.4Å; W24-P157 HydrophobicContact CZ3-CG 3.75Å; D133-P157 WeakPolarHBondContact O-CD 3.47Å; L134-P157 HydrophobicContact CD1-CB 4.3Å; L134-P157 WeakPolarHBondContact CD1-O 3.48Å; I135-P157 PolarHBondContact N-O 3.36Å; P157-P381 CarbonylContact C-O 3.48Å; P157-P381 WeakPolarHBondContact CA-O 2.78Å; P157-P381 HydrophobicContact CB-CB 4.49Å; P157-P381 HydrophobicContact CG-CG 4.42Å; P157-L383 HydrophobicContact CB-CD2 4.21Å; P157-L383 HydrophobicContact CB-CG 4.44Å
158V97Very high89.7Confident1 Ų129.4 Ų29.41%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-113.1121.1-176.6-1720000109.6I135 C137 L144 I147 T155 P156 V380 P381 L383I135-V158 HydrophobicContact CB-CG1 4.43Å; I135-V158 HydrophobicContact CB-CG2 4.17Å; I135-V158 HydrophobicContact CD1-CG2 4.28Å; I135-V158 HydrophobicContact CG2-CG1 4.31Å; I135-V158 WeakPolarHBondContact O-CA 3.47Å; C137-V158 HydrophobicContact CB-CG1 4.09Å; L144-V158 HydrophobicContact CD1-CB 4.36Å; L144-V158 HydrophobicContact CD1-CG1 3.65Å; I147-V158 HydrophobicContact CD1-CG1 3.72Å; I147-V158 HydrophobicContact CG2-CG2 4.15Å; T155-V158 HydrophobicContact CG2-CG2 4.32Å; P156-V158 PolarHBondContact O-N 3.48Å; V158-V380 HydrophobicContact CG2-CG1 3.84Å; V158-P381 PolarHBondContact N-O 3.16Å; V158-L383 PolarHBondContact O-N 3.45Å
159I97Very high89.7Confident0 Ų029.7 Ų29.70%018%0.178CC..EExtended strand (participates in β ladder)trans-96.4128.1161.2-179.7158.8000109.3L134 I135 V136 C137 F161 F172 Q180 M181 V184 L383L134-I159 HydrophobicContact CD1-CG2 4.45Å; L134-I159 HydrophobicContact CD2-CG2 4.32Å; I135-I159 PolarHBondContact O-N 3.48Å; V136-I159 HydrophobicContact CB-CG2 4.22Å; V136-I159 HydrophobicContact CG1-CG2 4.43Å; V136-I159 HydrophobicContact CG2-CG2 3.63Å; C137-I159 PolarHBondContact N-O 3.48Å; I159-F161 HydrophobicContact CD1-CE1 4.09Å; I159-F161 HydrophobicContact CD1-CE2 3.82Å; I159-F161 HydrophobicContact CD1-CZ 3.41Å; I159-F161 VanDerWaalsContact CD1-CZ 3.41Å; I159-F161 HydrophobicContact CG1-CD2 4.32Å; I159-F161 HydrophobicContact CG1-CE1 4.41Å; I159-F161 HydrophobicContact CG1-CE2 3.75Å; I159-F161 HydrophobicContact CG1-CZ 3.8Å; I159-F161 HydrophobicContact CG2-CE2 4.19Å; I159-F172 HydrophobicContact CD1-CD1 4.4Å; I159-F172 HydrophobicContact CD1-CD2 4.33Å; I159-F172 HydrophobicContact CD1-CE1 4.21Å; I159-F172 HydrophobicContact CD1-CE2 4.18Å; I159-F172 HydrophobicContact CD1-CG 4.43Å; I159-F172 HydrophobicContact CD1-CZ 4.1Å; I159-F172 HydrophobicContact CG1-CD2 3.83Å; I159-F172 HydrophobicContact CG1-CE2 3.78Å; I159-F172 HydrophobicContact CG1-CG 4.32Å; I159-F172 HydrophobicContact CG1-CZ 4.2Å; I159-Q180 HydrophobicContact CD1-CB 4.12Å; I159-M181 HydrophobicContact CG2-SD 4.32Å; I159-V184 HydrophobicContact CD1-CG2 3.71Å; I159-L383 HydrophobicContact CB-CD1 4.23Å
160A96.9Very high89.8Confident3 Ų328.3 Ų28.33%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-120.2102.8-171.300000112.3C137 T170 F172C137-A160 HydrophobicContact CB-CB 4Å; A160-T170 HydrophobicContact CB-CG2 3.98Å; A160-T170 CarbonylContact O-C 3.5Å; A160-F172 WeakPolarHBondContact O-CD2 3.5Å; A160-F172 PolarHBondContact O-N 3.49Å
161F96.4Very high89.8Confident0 Ų029.2 Ų29.20%018%0.176CC..EExtended strand (participates in β ladder)trans-87.2123.8177.1-63.8-75.8000111.5F49 V136 C137 L138 G139 I159 F172 F174 F177 Q180 M181F49-F161 HydrophobicContact CE2-CE2 4.49Å; V136-F161 HydrophobicContact CG1-CD2 3.98Å; V136-F161 HydrophobicContact CG1-CE2 4.06Å; C137-F161 PolarHBondContact O-N 3.21Å; L138-F161 HydrophobicContact CD2-CB 3.92Å; L138-F161 HydrophobicContact CD2-CD2 3.78Å; L138-F161 HydrophobicContact CD2-CG 4.23Å; G139-F161 PolarHBondContact N-O 3.3Å; I159-F161 HydrophobicContact CD1-CE1 4.09Å; I159-F161 HydrophobicContact CD1-CE2 3.82Å; I159-F161 HydrophobicContact CD1-CZ 3.41Å; I159-F161 VanDerWaalsContact CD1-CZ 3.41Å; I159-F161 HydrophobicContact CG1-CD2 4.32Å; I159-F161 HydrophobicContact CG1-CE1 4.41Å; I159-F161 HydrophobicContact CG1-CE2 3.75Å; I159-F161 HydrophobicContact CG1-CZ 3.8Å; I159-F161 HydrophobicContact CG2-CE2 4.19Å; F161-F172 CarbonylContact C-O 3.54Å; F161-F172 VanDerWaalsContact CA-O 3.26Å; F161-F172 WeakPolarHBondContact CA-O 3.25Å; F161-F172 HydrophobicContact CD1-CB 3.48Å; F161-F172 VanDerWaalsContact CD1-CB 3.48Å; F161-F172 HydrophobicContact CD1-CG 4.42Å; F161-F172 HydrophobicContact CE1-CB 3.77Å; F161-F172 HydrophobicContact CE1-CG 4.33Å; F161-F172 HydrophobicContact CG-CB 4.32Å; F161-F174 HydrophobicContact CB-CB 4.33Å; F161-F174 HydrophobicContact CB-CD2 3.98Å; F161-F174 HydrophobicContact CG-CD2 4.19Å; F161-F177 HydrophobicContact CD1-CB 4.13Å; F161-F177 VanDerWaalsContact CE1-CA 3.48Å; F161-F177 HydrophobicContact CE1-CB 3.68Å; F161-F177 HydrophobicContact CE2-CB 4.24Å; F161-F177 HydrophobicContact CZ-CB 3.72Å; F161-Q180 HydrophobicContact CE1-CB 4.03Å; F161-Q180 HydrophobicContact CE1-CG 4.4Å; F161-Q180 HydrophobicContact CZ-CB 4.11Å; F161-M181 HydrophobicContact CE2-SD 4.21Å; F161-M181 HydrophobicContact CZ-CG 4.41Å; F161-M181 HydrophobicContact CZ-SD 4.36Å
162R94.1Very high89.7Confident78 Ų7829.2 Ų29.229%0.29418%0.176SC..EExtended strand (participates in β ladder)trans-73125.4173.4179.3171.651.7127.7-4.1111.1G139 T170 F172 F174G139-R162 WeakPolarHBondContact O-CA 3.39Å; R162-T170 WeakPolarHBondContact CB-O 3.23Å; R162-F172 PolarHBondContact N-O 2.88Å; R162-F174 PolarHBondContact O-N 2.87Å
163L90.8Very high89.7Confident20 Ų2028.7 Ų28.711%0.10518%0.177CC..  trans-129.9130.2171.7-72.7165.2000109.8V42 S45 L138 G139 F174V42-L163 HydrophobicContact CB-CD1 4.3Å; V42-L163 HydrophobicContact CG1-CD1 4.04Å; V42-L163 HydrophobicContact CG2-CB 3.91Å; V42-L163 HydrophobicContact CG2-CD1 4.05Å; S45-L163 VanDerWaalsContact OG-CD2 3.25Å; S45-L163 WeakPolarHBondContact OG-CD2 3.18Å; L138-L163 HydrophobicContact CB-CD1 3.8Å; G139-L163 PolarHBondContact O-N 3.21Å; L163-F174 HydrophobicContact CD1-CD2 4.34Å; L163-F174 HydrophobicContact CD1-CG 4.43Å; L163-F174 HydrophobicContact CD2-CB 3.39Å; L163-F174 HydrophobicContact CD2-CD1 3.88Å; L163-F174 HydrophobicContact CD2-CD2 4.29Å; L163-F174 HydrophobicContact CD2-CG 3.58Å; L163-F174 HydrophobicContact CG-CB 3.9Å; L163-F174 HydrophobicContact CG-CD2 4.46Å; L163-F174 HydrophobicContact CG-CG 4.17Å
164G78.3Confident89.9Confident67 Ų6728.9 Ų28.969%0.69117%0.172SC*.SBendtrans81.8-128.8-179.500000113.7
165T72.1Confident90.1Very high116 Ų11634.9 Ų34.971%0.71220%0.196SC*.SBendtrans-61.4153.1-178.3440000112.1G167T165-G167 PolarHBondContact O-N 3.2Å
166L71Confident90.1Very high87 Ų8739 Ų3946%0.45522%0.216SC..  trans-57.6131.8174-94.483.4000110.8H398 C399L166-H398 HydrophobicContact CD2-CB 3.72Å; L166-H398 WeakPolarHBondContact CD2-O 3.22Å; L166-C399 HydrophobicContact CB-CB 4.44Å; L166-C399 HydrophobicContact CD2-CB 4.26Å
167G75.1Confident90.2Very high6 Ų638.7 Ų38.76%0.06221%0.213CC..  trans-124.1139.7173.300000109.7D141 T165 T170 C399D141-G167 VanDerWaalsContact OD1-C 3.3Å; D141-G167 WeakPolarHBondContact OD1-CA 3.42Å; T165-G167 PolarHBondContact O-N 3.2Å; G167-T170 PolarHBondContact O-OG1 3.06Å; G167-C399 PolarHBondContact O-SG 3.23Å
168F86.8Confident90.3Very high21 Ų2142.3 Ų42.39%0.09223%0.227CC..SBendtrans-76.7-27.1-176.9-168.9-98.3000112.6D141 T297 W392 G395 L396 C399 L400D141-F168 VanDerWaalsContact CG-N 3.35Å; D141-F168 PolarHBondContact OD1-N 2.91Å; D141-F168 PolarHBondContact OD2-N 2.84Å; F168-T297 HydrophobicContact CD1-CG2 4.24Å; F168-T297 WeakPolarHBondContact CD1-OG1 3.37Å; F168-T297 HydrophobicContact CE1-CG2 3.74Å; F168-T297 HydrophobicContact CE2-CG2 4.33Å; F168-T297 HydrophobicContact CZ-CG2 3.8Å; F168-W392 AromaticContact CE1-CD1 3.76Å; F168-W392 AromaticContact CE1-NE1 3.9Å; F168-W392 AromaticContact CZ-CD1 3.5Å; F168-W392 VanDerWaalsContact CZ-CD1 3.5Å; F168-W392 HydrophobicContact CZ-CG 4.28Å; F168-W392 AromaticContact CZ-NE1 3.55Å; F168-G395 VanDerWaalsContact CE2-C 3.42Å; F168-L396 HydrophobicContact CE2-CD2 3.87Å; F168-L396 HydrophobicContact CE2-CG 4.24Å; F168-L396 HydrophobicContact CZ-CD2 4.09Å; F168-L396 HydrophobicContact CZ-CG 4.45Å; F168-C399 HydrophobicContact CD2-CB 4.33Å; F168-L400 HydrophobicContact CD2-CD1 4.4Å; F168-L400 HydrophobicContact CE2-CD1 4.27Å
169L91.6Very high90.2Very high7 Ų747.8 Ų47.84%0.03726%0.256CS..SBendtrans-99.70.2-174.6-50179.6000113.4D141 L144 P171 T294D141-L169 HydrophobicContact CB-CB 4.48Å; D141-L169 HydrophobicContact CB-CD1 4.09Å; D141-L169 HydrophobicContact CB-CG 4.23Å; D141-L169 WeakPolarHBondContact OD1-CA 3.36Å; D141-L169 WeakPolarHBondContact OD1-CB 3.37Å; D141-L169 PolarHBondContact OD1-N 2.98Å; L144-L169 HydrophobicContact CD2-CB 3.48Å; L144-L169 VanDerWaalsContact CD2-CB 3.48Å; L144-L169 HydrophobicContact CD2-CD1 3.87Å; L144-L169 HydrophobicContact CD2-CG 4.23Å; L169-P171 VanDerWaalsContact O-CD 3.28Å; L169-P171 WeakPolarHBondContact O-CD 3.42Å; L169-T294 HydrophobicContact CD1-CG2 3.96Å; L169-T294 HydrophobicContact CD2-CG2 3.53Å; L169-T294 HydrophobicContact CG-CG2 4.43Å
170T93.4Very high90.1Very high1 Ų149.2 Ų49.21%0.00626%0.263CS..  trans-115.878.3-176.845.90000110.2A160 R162 G167 F172A160-T170 HydrophobicContact CB-CG2 3.98Å; A160-T170 CarbonylContact O-C 3.5Å; R162-T170 WeakPolarHBondContact CB-O 3.23Å; G167-T170 PolarHBondContact O-OG1 3.06Å; T170-F172 VanDerWaalsContact C-N 3.31Å; T170-F172 PolarHBondContact O-N 3.34Å
171P93.4Very high90Very high42 Ų4249 Ų4927%0.27326%0.262SS..  trans-72.3-22.8-169.227.4-33.5000113.4L169 P173 D391L169-P171 VanDerWaalsContact O-CD 3.28Å; L169-P171 WeakPolarHBondContact O-CD 3.42Å; P171-P173 WeakPolarHBondContact O-CD 3.48Å; P171-D391 HydrophobicContact CB-CB 4.36Å; P171-D391 WeakPolarHBondContact CB-OD2 3.05Å
172F94.1Very high89.9Confident3 Ų354.2 Ų54.21%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-90.4120.6-172.6-60.4-89.6000112.2I159 A160 F161 R162 T170 F174 Q180 L383 C384I159-F172 HydrophobicContact CD1-CD1 4.4Å; I159-F172 HydrophobicContact CD1-CD2 4.33Å; I159-F172 HydrophobicContact CD1-CE1 4.21Å; I159-F172 HydrophobicContact CD1-CE2 4.18Å; I159-F172 HydrophobicContact CD1-CG 4.43Å; I159-F172 HydrophobicContact CD1-CZ 4.1Å; I159-F172 HydrophobicContact CG1-CD2 3.83Å; I159-F172 HydrophobicContact CG1-CE2 3.78Å; I159-F172 HydrophobicContact CG1-CG 4.32Å; I159-F172 HydrophobicContact CG1-CZ 4.2Å; A160-F172 WeakPolarHBondContact O-CD2 3.5Å; A160-F172 PolarHBondContact O-N 3.49Å; F161-F172 CarbonylContact C-O 3.54Å; F161-F172 VanDerWaalsContact CA-O 3.26Å; F161-F172 WeakPolarHBondContact CA-O 3.25Å; F161-F172 HydrophobicContact CD1-CB 3.48Å; F161-F172 VanDerWaalsContact CD1-CB 3.48Å; F161-F172 HydrophobicContact CD1-CG 4.42Å; F161-F172 HydrophobicContact CE1-CB 3.77Å; F161-F172 HydrophobicContact CE1-CG 4.33Å; F161-F172 HydrophobicContact CG-CB 4.32Å; R162-F172 PolarHBondContact N-O 2.88Å; T170-F172 VanDerWaalsContact C-N 3.31Å; T170-F172 PolarHBondContact O-N 3.34Å; F172-F174 PolarHBondContact O-N 2.97Å; F172-Q180 HydrophobicContact CD1-CB 4.29Å; F172-Q180 HydrophobicContact CD1-CG 3.74Å; F172-Q180 HydrophobicContact CE1-CB 4.46Å; F172-Q180 HydrophobicContact CE1-CG 4.14Å; F172-L383 HydrophobicContact CE2-CB 4.37Å; F172-L383 WeakPolarHBondContact CE2-O 3.01Å; F172-L383 HydrophobicContact CZ-CB 4.32Å; F172-C384 WeakPolarHBondContact CZ-O 3.39Å
173P93.2Very high89.8Confident44 Ų4452.9 Ų52.929%0.28629%0.287SS..EExtended strand (participates in β ladder)trans-64.6130.3167.5-17.731.5000110.5P171 K175 M176P171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-K175 PolarHBondContact O-N 3.24Å; P173-K175 VanDerWaalsContact O-N 3.1Å; P173-M176 PolarHBondContact O-N 2.54Å
174F95.3Very high90Very high23 Ų2351.9 Ų51.910%0.10128%0.282CS..G310 helixtrans-57-31.6-177.8-177.5-102.1000113.7S45 F49 L138 F161 R162 L163 F172 M176 F177S45-F174 VanDerWaalsContact CB-CE1 3.41Å; S45-F174 WeakPolarHBondContact O-CZ 3.38Å; F49-F174 HydrophobicContact CB-CE2 4.19Å; F49-F174 HydrophobicContact CB-CZ 4.14Å; F49-F174 HydrophobicContact CD2-CE2 4.47Å; L138-F174 HydrophobicContact CD2-CD2 3.91Å; L138-F174 HydrophobicContact CD2-CE2 3.83Å; F161-F174 HydrophobicContact CB-CB 4.33Å; F161-F174 HydrophobicContact CB-CD2 3.98Å; F161-F174 HydrophobicContact CG-CD2 4.19Å; R162-F174 PolarHBondContact O-N 2.87Å; L163-F174 HydrophobicContact CD1-CD2 4.34Å; L163-F174 HydrophobicContact CD1-CG 4.43Å; L163-F174 HydrophobicContact CD2-CB 3.39Å; L163-F174 HydrophobicContact CD2-CD1 3.88Å; L163-F174 HydrophobicContact CD2-CD2 4.29Å; L163-F174 HydrophobicContact CD2-CG 3.58Å; L163-F174 HydrophobicContact CG-CB 3.9Å; L163-F174 HydrophobicContact CG-CD2 4.46Å; L163-F174 HydrophobicContact CG-CG 4.17Å; F172-F174 PolarHBondContact O-N 2.97Å; F174-M176 PolarHBondContact O-N 2.83Å; F174-F177 HydrophobicContact CD1-CD1 4.37Å; F174-F177 HydrophobicContact CD2-CB 4.18Å; F174-F177 HydrophobicContact CD2-CD1 4.46Å; F174-F177 AromaticContact CE1-CD1 3.84Å; F174-F177 HydrophobicContact CE1-CD1 3.84Å; F174-F177 HydrophobicContact CE1-CE1 4.06Å; F174-F177 HydrophobicContact CE2-CB 4.07Å; F174-F177 AromaticContact CE2-CD1 3.96Å; F174-F177 HydrophobicContact CE2-CD1 3.96Å; F174-F177 AromaticContact CE2-CG 3.99Å; F174-F177 HydrophobicContact CE2-CG 3.99Å; F174-F177 AromaticContact CZ-CD1 3.59Å; F174-F177 HydrophobicContact CZ-CD1 3.59Å; F174-F177 AromaticContact CZ-CE1 3.86Å; F174-F177 HydrophobicContact CZ-CE1 3.86Å; F174-F177 HydrophobicContact CZ-CG 4.05Å; F174-F177 VanDerWaalsContact O-CB 3.32Å; F174-F177 WeakPolarHBondContact O-CB 3.36Å; F174-F177 VanDerWaalsContact O-CD1 3.29Å; F174-F177 WeakPolarHBondContact O-CD1 3.39Å; F174-F177 PolarHBondContact O-N 3.36Å
175K94.2Very high90.7Very high199 Ų19950.1 Ų50.187%0.86526%0.256SS*.G310 helixtrans-52.7-24.2177-66.1-176.4178.4-178.20113.8P173P173-K175 PolarHBondContact O-N 3.24Å; P173-K175 VanDerWaalsContact O-N 3.1Å
176M93.1Very high91.4Very high90 Ų9051.1 Ų51.144%0.44325%0.253SS..G310 helixtrans-976.3-178.7-59.3-17571.700113.7P173 F174 R178 N179 Q180P173-M176 PolarHBondContact O-N 2.54Å; F174-M176 PolarHBondContact O-N 2.83Å; M176-R178 PolarHBondContact O-N 2.61Å; M176-R178 VanDerWaalsContact O-N 3.11Å; M176-N179 PolarHBondContact O-N 3.29Å; M176-Q180 HydrophobicContact CB-CG 4.2Å; M176-Q180 WeakPolarHBondContact O-CG 3.48Å; M176-Q180 PolarHBondContact O-N 3.35Å; M176-Q180 VanDerWaalsContact O-N 3.1Å
177F96.2Very high91.8Very high4 Ų448 Ų482%0.01824%0.241CC..Hα-helixtrans-55.5-36.9-170.183.3-89000113.6F49 Y52 F161 F174 N179 Q180 M181F49-F177 HydrophobicContact CB-CE2 4.43Å; F49-F177 AromaticContact CD2-CD2 3.58Å; F49-F177 HydrophobicContact CD2-CD2 3.58Å; F49-F177 HydrophobicContact CD2-CE2 4.03Å; F49-F177 HydrophobicContact CD2-CG 4.31Å; F49-F177 HydrophobicContact CE2-CD2 4.21Å; Y52-F177 HydrophobicContact CD1-CD2 4.49Å; Y52-F177 AromaticContact CD1-CE2 3.64Å; Y52-F177 HydrophobicContact CD1-CE2 3.64Å; Y52-F177 HydrophobicContact CD1-CZ 4.28Å; Y52-F177 HydrophobicContact CE1-CE2 4.44Å; Y52-F177 AromaticContact CG-CE2 3.95Å; Y52-F177 HydrophobicContact CG-CE2 3.95Å; Y52-F177 HydrophobicContact CG-CZ 4.18Å; F161-F177 HydrophobicContact CD1-CB 4.13Å; F161-F177 VanDerWaalsContact CE1-CA 3.48Å; F161-F177 HydrophobicContact CE1-CB 3.68Å; F161-F177 HydrophobicContact CE2-CB 4.24Å; F161-F177 HydrophobicContact CZ-CB 3.72Å; F174-F177 HydrophobicContact CD1-CD1 4.37Å; F174-F177 HydrophobicContact CD2-CB 4.18Å; F174-F177 HydrophobicContact CD2-CD1 4.46Å; F174-F177 AromaticContact CE1-CD1 3.84Å; F174-F177 HydrophobicContact CE1-CD1 3.84Å; F174-F177 HydrophobicContact CE1-CE1 4.06Å; F174-F177 HydrophobicContact CE2-CB 4.07Å; F174-F177 AromaticContact CE2-CD1 3.96Å; F174-F177 HydrophobicContact CE2-CD1 3.96Å; F174-F177 AromaticContact CE2-CG 3.99Å; F174-F177 HydrophobicContact CE2-CG 3.99Å; F174-F177 AromaticContact CZ-CD1 3.59Å; F174-F177 HydrophobicContact CZ-CD1 3.59Å; F174-F177 AromaticContact CZ-CE1 3.86Å; F174-F177 HydrophobicContact CZ-CE1 3.86Å; F174-F177 HydrophobicContact CZ-CG 4.05Å; F174-F177 VanDerWaalsContact O-CB 3.32Å; F174-F177 WeakPolarHBondContact O-CB 3.36Å; F174-F177 VanDerWaalsContact O-CD1 3.29Å; F174-F177 WeakPolarHBondContact O-CD1 3.39Å; F174-F177 PolarHBondContact O-N 3.36Å; F177-N179 PolarHBondContact O-N 3.07Å; F177-Q180 PolarHBondContact O-N 3.22Å; F177-M181 VanDerWaalsContact O-CB 3.29Å; F177-M181 WeakPolarHBondContact O-CB 3.38Å; F177-M181 VanDerWaalsContact O-CG 3.23Å; F177-M181 WeakPolarHBondContact O-CG 3.42Å; F177-M181 PolarHBondContact O-N 2.75Å
178R96.2Very high92Very high77 Ų7750.3 Ų50.329%0.29126%0.257SS..Hα-helixtrans-59.6-49.6-178.9-62.7-175.4174105.8-15111.9Y52 E106 M176 K182Y52-R178 HydrophobicContact CD1-CB 4.49Å; Y52-R178 HydrophobicContact CD1-CG 3.91Å; Y52-R178 HydrophobicContact CD2-CG 4.17Å; Y52-R178 HydrophobicContact CE1-CB 3.75Å; Y52-R178 HydrophobicContact CE1-CG 3.62Å; Y52-R178 HydrophobicContact CE2-CB 4.44Å; Y52-R178 HydrophobicContact CE2-CG 3.9Å; Y52-R178 HydrophobicContact CG-CG 4.17Å; E106-R178 IonicContact OE1-NH2 3.95Å; E106-R178 PolarHBondContact OE1-NH2 3.24Å; E106-R178 IonicContact OE2-NH2 2.82Å; E106-R178 PolarHBondContact OE2-NH2 3.22Å; M176-R178 PolarHBondContact O-N 2.61Å; M176-R178 VanDerWaalsContact O-N 3.11Å; R178-K182 PolarHBondContact O-N 3.01Å
179N94.5Very high92.3Very high115 Ų11549.9 Ų49.962%0.61526%0.256SS*.Hα-helixtrans-70.3-39.6179.6-67.6-9.4000111.4M176 F177 K182 S183M176-N179 PolarHBondContact O-N 3.29Å; F177-N179 PolarHBondContact O-N 3.07Å; N179-K182 PolarHBondContact O-N 3.39Å; N179-S183 PolarHBondContact O-N 3.34Å
180Q94.7Very high92.4Very high30 Ų3052.7 Ų52.714%0.1427%0.267CS..Hα-helixtrans-68.8-42.1-179-63.5-65.92100112I159 F161 F172 M176 F177 K182 S183 V184I159-Q180 HydrophobicContact CD1-CB 4.12Å; F161-Q180 HydrophobicContact CE1-CB 4.03Å; F161-Q180 HydrophobicContact CE1-CG 4.4Å; F161-Q180 HydrophobicContact CZ-CB 4.11Å; F172-Q180 HydrophobicContact CD1-CB 4.29Å; F172-Q180 HydrophobicContact CD1-CG 3.74Å; F172-Q180 HydrophobicContact CE1-CB 4.46Å; F172-Q180 HydrophobicContact CE1-CG 4.14Å; M176-Q180 HydrophobicContact CB-CG 4.2Å; M176-Q180 WeakPolarHBondContact O-CG 3.48Å; M176-Q180 PolarHBondContact O-N 3.35Å; M176-Q180 VanDerWaalsContact O-N 3.1Å; F177-Q180 PolarHBondContact O-N 3.22Å; Q180-K182 VanDerWaalsContact C-N 3.31Å; Q180-K182 PolarHBondContact O-N 3.22Å; Q180-S183 PolarHBondContact O-N 3.26Å; Q180-V184 VanDerWaalsContact O-CG2 3.31Å; Q180-V184 WeakPolarHBondContact O-CG2 3.31Å; Q180-V184 PolarHBondContact O-N 2.89Å
181M95.4Very high92.4Very high0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-59.6-42.6174.2-74.8-54.3-5800111.8I31 F49 W57 L134 V136 I159 F161 F177 S183 V184 L185I31-M181 HydrophobicContact CD1-CE 3.7Å; F49-M181 HydrophobicContact CE2-CE 4.42Å; F49-M181 HydrophobicContact CE2-CG 3.73Å; F49-M181 HydrophobicContact CE2-SD 3.8Å; F49-M181 HydrophobicContact CZ-CE 4.19Å; F49-M181 HydrophobicContact CZ-CG 4.41Å; F49-M181 HydrophobicContact CZ-SD 4.07Å; W57-M181 HydrophobicContact CH2-CB 4.07Å; W57-M181 HydrophobicContact CZ3-CB 4.4Å; L134-M181 HydrophobicContact CD2-CE 4.01Å; V136-M181 HydrophobicContact CG2-CE 4.34Å; V136-M181 HydrophobicContact CG2-SD 4.15Å; I159-M181 HydrophobicContact CG2-SD 4.32Å; F161-M181 HydrophobicContact CE2-SD 4.21Å; F161-M181 HydrophobicContact CZ-CG 4.41Å; F161-M181 HydrophobicContact CZ-SD 4.36Å; F177-M181 VanDerWaalsContact O-CB 3.29Å; F177-M181 WeakPolarHBondContact O-CB 3.38Å; F177-M181 VanDerWaalsContact O-CG 3.23Å; F177-M181 WeakPolarHBondContact O-CG 3.42Å; F177-M181 PolarHBondContact O-N 2.75Å; M181-S183 PolarHBondContact O-N 3.1Å; M181-V184 PolarHBondContact O-N 2.99Å; M181-L185 HydrophobicContact CE-CD1 4.29Å; M181-L185 HydrophobicContact CE-CG 4.38Å; M181-L185 WeakPolarHBondContact O-CB 3.14Å; M181-L185 WeakPolarHBondContact O-CG 3.31Å; M181-L185 PolarHBondContact O-N 2.85Å
182K94.1Very high92.4Very high109 Ų10951.2 Ų51.247%0.47426%0.257SS..Hα-helixtrans-56.9-51.2174.2-176.7179.9175.3-177.20111.3W57 R178 N179 Q180 V184 L185 E186W57-K182 HydrophobicContact CZ2-CB 4.14Å; R178-K182 PolarHBondContact O-N 3.01Å; N179-K182 PolarHBondContact O-N 3.39Å; Q180-K182 VanDerWaalsContact C-N 3.31Å; Q180-K182 PolarHBondContact O-N 3.22Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.41Å; K182-L185 PolarHBondContact O-N 3.04Å; K182-E186 WeakPolarHBondContact CE-OE1 3.43Å; K182-E186 WeakPolarHBondContact CG-OE1 3.37Å; K182-E186 IonicContact NZ-OE1 3.48Å; K182-E186 WeakPolarHBondContact O-CB 3.45Å; K182-E186 WeakPolarHBondContact O-CG 3.46Å; K182-E186 PolarHBondContact O-N 3.02Å
183S92.3Very high92.4Very high49 Ų4952.3 Ų52.334%0.34326%0.263SS..Hα-helixtrans-62.1-38.6179.9-174.30000113.1N179 Q180 M181 G187N179-S183 PolarHBondContact O-N 3.34Å; Q180-S183 PolarHBondContact O-N 3.26Å; M181-S183 PolarHBondContact O-N 3.1Å; S183-G187 PolarHBondContact O-N 2.86Å
184V94Very high92.5Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-66-48177.51710000110.3W24 L134 I159 Q180 M181 K182 E186 G187 L383W24-V184 HydrophobicContact CZ2-CG1 3.96Å; W24-V184 PolarHBondContact NE1-O 3.02Å; L134-V184 HydrophobicContact CD1-CG1 3.97Å; L134-V184 HydrophobicContact CD2-CG1 3.91Å; I159-V184 HydrophobicContact CD1-CG2 3.71Å; Q180-V184 VanDerWaalsContact O-CG2 3.31Å; Q180-V184 WeakPolarHBondContact O-CG2 3.31Å; Q180-V184 PolarHBondContact O-N 2.89Å; M181-V184 PolarHBondContact O-N 2.99Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.41Å; V184-E186 VanDerWaalsContact C-N 3.33Å; V184-E186 PolarHBondContact O-N 3.04Å; V184-G187 PolarHBondContact O-N 3.05Å; V184-G187 VanDerWaalsContact O-N 3.13Å; V184-L383 HydrophobicContact CB-CD1 4.37Å; V184-L383 HydrophobicContact CG1-CD1 3.69Å; V184-L383 HydrophobicContact CG2-CD1 3.69Å
185L93.1Very high92.5Very high29 Ų2950.6 Ų50.615%0.15225%0.251CS..Hα-helixtrans-67.4-31.4-177.3-67.7170.5000112.8I28 W57 L59 M181 K182 G187I28-L185 HydrophobicContact CB-CD2 3.79Å; I28-L185 HydrophobicContact CD1-CD2 3.74Å; I28-L185 HydrophobicContact CG1-CD2 4.35Å; I28-L185 HydrophobicContact CG2-CD2 3.84Å; W57-L185 HydrophobicContact CD2-CD1 3.51Å; W57-L185 VanDerWaalsContact CE2-CD1 3.43Å; W57-L185 HydrophobicContact CE3-CD1 4.03Å; W57-L185 HydrophobicContact CG-CD1 3.79Å; W57-L185 HydrophobicContact CH2-CD1 4.35Å; W57-L185 HydrophobicContact CZ2-CD1 3.89Å; W57-L185 HydrophobicContact CZ3-CD1 4.42Å; L59-L185 HydrophobicContact CD1-CD1 4.27Å; L59-L185 HydrophobicContact CD1-CD2 4.36Å; M181-L185 HydrophobicContact CE-CD1 4.29Å; M181-L185 HydrophobicContact CE-CG 4.38Å; M181-L185 WeakPolarHBondContact O-CB 3.14Å; M181-L185 WeakPolarHBondContact O-CG 3.31Å; M181-L185 PolarHBondContact O-N 2.85Å; K182-L185 PolarHBondContact O-N 3.04Å; L185-G187 PolarHBondContact O-N 3.37Å
186E88.4Confident92.7Very high138 Ų13841.1 Ų41.165%0.64521%0.21SC*.Hα-helixtrans-73.5-14.1174.8-72.5172.1175.400113.2K182 V184K182-E186 WeakPolarHBondContact CE-OE1 3.43Å; K182-E186 WeakPolarHBondContact CG-OE1 3.37Å; K182-E186 IonicContact NZ-OE1 3.48Å; K182-E186 WeakPolarHBondContact O-CB 3.45Å; K182-E186 WeakPolarHBondContact O-CG 3.46Å; K182-E186 PolarHBondContact O-N 3.02Å; V184-E186 VanDerWaalsContact C-N 3.33Å; V184-E186 PolarHBondContact O-N 3.04Å
187G79.2Confident92.9Very high21 Ų2136.8 Ų36.822%0.21619%0.189CC..THydrogen-bonded Turntrans78.475.4171.600000114.2W24 S183 V184 L185W24-G187 VanDerWaalsContact CD1-CA 3.5Å; S183-G187 PolarHBondContact O-N 2.86Å; V184-G187 PolarHBondContact O-N 3.05Å; V184-G187 VanDerWaalsContact O-N 3.13Å; L185-G187 PolarHBondContact O-N 3.37Å
188S78.7Confident93Very high54 Ų5437 Ų3738%0.37819%0.191SC..  trans-167.356.8162.9-166.10000111.9R21R21-S188 PolarHBondContact NH1-O 3.37Å; R21-S188 PolarHBondContact NH1-OG 3.26Å; R21-S188 VanDerWaalsContact NH1-OG 3.08Å
189S92.2Very high93Very high12 Ų1233.4 Ų33.48%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-103134.7-178.1-59.60000110.9R21 V22R21-S189 CarbonylContact C-O 3.58Å; R21-S189 VanDerWaalsContact CA-O 3.26Å; R21-S189 WeakPolarHBondContact CA-O 3.43Å; V22-S189 PolarHBondContact N-O 3.05Å
190Y94.4Very high93.1Very high66 Ų6631.4 Ų31.426%0.25916%0.164SC..EExtended strand (participates in β ladder)trans-59.2148166.9-76.5-85.9000110.2S20 R21 L383 C384 E386 N387S20-Y190 CarbonylContact O-C 3.51Å; S20-Y190 VanDerWaalsContact O-CA 3.26Å; S20-Y190 WeakPolarHBondContact O-CA 3.2Å; S20-Y190 WeakPolarHBondContact O-CD1 3.29Å; R21-Y190 HydrophobicContact CG-CD1 3.99Å; R21-Y190 HydrophobicContact CG-CE1 4.16Å; R21-Y190 HydrophobicContact CG-CG 4.19Å; R21-Y190 VanDerWaalsContact CZ-CZ 3.49Å; R21-Y190 PolarHBondContact NH2-OH 2.82Å; Y190-L383 CarbonylContact O-C 3.55Å; Y190-L383 WeakPolarHBondContact O-CA 3.33Å; Y190-C384 PolarHBondContact O-N 3.03Å; Y190-E386 WeakPolarHBondContact CD2-O 3.49Å; Y190-E386 WeakPolarHBondContact CE2-O 3.28Å; Y190-N387 HydrophobicContact CD1-CB 4Å; Y190-N387 HydrophobicContact CD2-CB 4.45Å; Y190-N387 HydrophobicContact CE1-CB 4.21Å; Y190-N387 HydrophobicContact CG-CB 4.13Å
191C93.9Very high93.1Very high6 Ų630.2 Ų30.24%0.04116%0.159CC..EExtended strand (participates in β ladder)trans-146.5134.4-178.1-177.20000111.5F15 S20 V22 C382 L383F15-C191 HydrophobicContact CE1-CB 3.87Å; F15-C191 HydrophobicContact CZ-CB 4.21Å; S20-C191 PolarHBondContact O-N 3.4Å; V22-C191 HydrophobicContact CB-CB 4.27Å; V22-C191 HydrophobicContact CG2-CB 3.4Å; C191-C382 CarbonylContact C-O 3.55Å; C191-C382 VanDerWaalsContact CA-O 3.26Å; C191-C382 WeakPolarHBondContact CA-O 3.47Å; C191-C382 PolarHBondContact SG-O 2.88Å; C191-L383 HydrophobicContact CB-CD2 3.92Å
192V93.4Very high93.1Very high7 Ų732.2 Ų32.24%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-102128.316961.20000109.9R194 P310 C382 E388V192-R194 HydrophobicContact CG1-CG 4.18Å; V192-R194 HydrophobicContact CG2-CG 4.44Å; V192-R194 PolarHBondContact O-N 3.46Å; V192-P310 HydrophobicContact CG2-CB 3.94Å; V192-P310 HydrophobicContact CG2-CG 3.98Å; V192-C382 HydrophobicContact CG1-CB 3.88Å; V192-C382 PolarHBondContact N-O 2.86Å; V192-C382 PolarHBondContact O-N 2.9Å; V192-E388 HydrophobicContact CB-CB 4.05Å; V192-E388 HydrophobicContact CG2-CB 4.35Å
193L93.8Very high93.1Very high26 Ų2628.4 Ų28.414%0.13615%0.152CC..EExtended strand (participates in β ladder)trans-83101.2169.8-68.4-177000109.4M2 I6 F15 T195 P379 P381M2-L193 HydrophobicContact CB-CD1 4.06Å; I6-L193 HydrophobicContact CD1-CD1 4.13Å; I6-L193 HydrophobicContact CD1-CD2 3.8Å; F15-L193 HydrophobicContact CE1-CD2 4.49Å; F15-L193 HydrophobicContact CE1-CG 4.29Å; F15-L193 HydrophobicContact CE2-CD1 4.08Å; F15-L193 HydrophobicContact CE2-CD2 3.8Å; F15-L193 HydrophobicContact CE2-CG 4.14Å; F15-L193 HydrophobicContact CZ-CD1 4Å; F15-L193 HydrophobicContact CZ-CD2 3.43Å; F15-L193 VanDerWaalsContact CZ-CD2 3.43Å; F15-L193 HydrophobicContact CZ-CG 3.62Å; L193-T195 PolarHBondContact O-N 3.06Å; L193-P379 HydrophobicContact CB-CB 4.17Å; L193-P379 HydrophobicContact CB-CG 4.37Å; L193-P379 HydrophobicContact CD1-CG 4.43Å; L193-P379 HydrophobicContact CD2-CG 4.19Å; L193-P381 HydrophobicContact CD2-CB 3.77Å
194R95.6Very high92.9Very high21 Ų2127.5 Ų27.58%0.07915%0.145CC..EExtended strand (participates in β ladder)trans-80.3113.7176.9-64.1-172.9175.2-86.91.1109.6V192 L255 T294 P379 V380V192-R194 HydrophobicContact CG1-CG 4.18Å; V192-R194 HydrophobicContact CG2-CG 4.44Å; V192-R194 PolarHBondContact O-N 3.46Å; R194-L255 HydrophobicContact CB-CD1 3.86Å; R194-T294 PolarHBondContact NH1-OG1 2.88Å; R194-P379 CarbonylContact O-C 3.52Å; R194-P379 VanDerWaalsContact O-CA 3.32Å; R194-P379 WeakPolarHBondContact O-CA 3.27Å; R194-P379 WeakPolarHBondContact O-CB 3.36Å; R194-V380 PolarHBondContact N-O 3.12Å; R194-V380 PolarHBondContact O-N 3.46Å
195T96Very high92.2Very high9 Ų929.5 Ų29.56%0.05516%0.159CC..  trans-53.5139.2173.3-59.80000110.2M2 L193 T292 A375M2-T195 HydrophobicContact CE-CG2 3.97Å; M2-T195 WeakPolarHBondContact CE-OG1 3.3Å; L193-T195 PolarHBondContact O-N 3.06Å; T195-T292 WeakPolarHBondContact O-CG2 3.19Å; T195-A375 HydrophobicContact CG2-CB 4.41Å
196R97.6Very high91.2Very high0 Ų029 Ų290%016%0.158CC..  trans-107.6161.8167-72.9-159.7-64-176.9-10.7110.4G148 F151 G153 F254 L255 S376 F378 V380G148-R196 PolarHBondContact O-NH1 3.31Å; F151-R196 PolarHBondContact O-NH1 3.04Å; F151-R196 PolarHBondContact O-NH2 2.79Å; G153-R196 PolarHBondContact O-NH2 3.43Å; R196-F254 CarbonylContact C-O 3.48Å; R196-F254 VanDerWaalsContact CA-O 3.28Å; R196-F254 WeakPolarHBondContact CA-O 3.37Å; R196-F254 WeakPolarHBondContact CB-O 3.32Å; R196-F254 WeakPolarHBondContact CG-O 3.34Å; R196-L255 HydrophobicContact CG-CD1 3.93Å; R196-S376 WeakPolarHBondContact O-CB 3.29Å; R196-S376 PolarHBondContact O-N 3.01Å; R196-F378 VanDerWaalsContact CZ-O 3.27Å; R196-F378 PolarHBondContact NE-O 2.78Å; R196-F378 PolarHBondContact NH2-O 2.68Å; R196-V380 HydrophobicContact CG-CG2 3.94Å
197L97.7Very high90.4Very high0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans-97.5151.3164.6-79.9167000109.9H253 F254 I290 T292 L315 V373 S374L197-H253 VanDerWaalsContact O-CA 3.26Å; L197-H253 WeakPolarHBondContact O-CA 3.2Å; L197-F254 HydrophobicContact CB-CD1 4.27Å; L197-F254 HydrophobicContact CB-CD2 3.94Å; L197-F254 HydrophobicContact CB-CE1 3.69Å; L197-F254 HydrophobicContact CB-CE2 3.31Å; L197-F254 HydrophobicContact CB-CG 4.38Å; L197-F254 HydrophobicContact CB-CZ 3.18Å; L197-F254 HydrophobicContact CD1-CD2 4.46Å; L197-F254 HydrophobicContact CD1-CE2 3.49Å; L197-F254 VanDerWaalsContact CD1-CE2 3.49Å; L197-F254 HydrophobicContact CD1-CZ 3.84Å; L197-F254 HydrophobicContact CG-CE2 4.02Å; L197-F254 HydrophobicContact CG-CZ 4.11Å; L197-F254 PolarHBondContact N-O 3.33Å; L197-F254 PolarHBondContact O-N 2.64Å; L197-I290 HydrophobicContact CD1-CG2 3.92Å; L197-I290 WeakPolarHBondContact CD1-O 3.48Å; L197-T292 HydrophobicContact CB-CG2 4.41Å; L197-T292 HydrophobicContact CD1-CG2 4.04Å; L197-T292 HydrophobicContact CG-CG2 3.74Å; L197-L315 HydrophobicContact CD2-CD1 4.29Å; L197-L315 HydrophobicContact CD2-CD2 3.35Å; L197-L315 HydrophobicContact CD2-CG 4.4Å; L197-L315 HydrophobicContact CG-CD2 4.18Å; L197-V373 HydrophobicContact CD1-CG1 4.49Å; L197-V373 HydrophobicContact CD2-CG1 3.68Å; L197-V373 HydrophobicContact CG-CG1 4.48Å; L197-S374 WeakPolarHBondContact CA-O 3.08Å; L197-S374 VanDerWaalsContact CD2-O 3.3Å; L197-S374 WeakPolarHBondContact CD2-O 3.2Å
198C97Very high89.8Confident9 Ų928.6 Ų28.66%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-110.7137.1167158.50000108E251 Y252 V373 S374C198-E251 VanDerWaalsContact SG-CD 3.51Å; C198-E251 WeakPolarHBondContact SG-CG 3.33Å; C198-E251 PolarHBondContact SG-OE1 3.46Å; C198-Y252 CarbonylContact C-O 3.5Å; C198-Y252 WeakPolarHBondContact CA-O 3.25Å; C198-V373 VanDerWaalsContact O-CA 3.3Å; C198-V373 WeakPolarHBondContact O-CA 3.03Å; C198-S374 PolarHBondContact N-O 2.88Å; C198-S374 PolarHBondContact O-N 2.79Å
199C96.9Very high89Confident1 Ų132 Ų321%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-127140.8170.9176.10000111.2E251 Y252 F254 F355 I371 L372 V373C199-E251 WeakPolarHBondContact O-CA 3.36Å; C199-Y252 PolarHBondContact N-O 2.99Å; C199-Y252 PolarHBondContact O-N 3.11Å; C199-F254 HydrophobicContact CB-CE1 3.6Å; C199-F254 HydrophobicContact CB-CZ 4.34Å; C199-F355 HydrophobicContact CB-CD1 4.43Å; C199-F355 HydrophobicContact CB-CE1 3.41Å; C199-F355 VanDerWaalsContact CB-CE1 3.41Å; C199-F355 HydrophobicContact CB-CZ 3.84Å; C199-F355 VanDerWaalsContact SG-CE1 3.57Å; C199-I371 VanDerWaalsContact SG-CG2 3.58Å; C199-L372 CarbonylContact C-O 3.53Å; C199-L372 VanDerWaalsContact CA-O 3.26Å; C199-L372 WeakPolarHBondContact CA-O 3.19Å; C199-V373 HydrophobicContact CB-CG2 4.23Å
200Q96Very high87.3Confident73 Ų7337.1 Ų37.134%0.34119%0.19SC..EExtended strand (participates in β ladder)trans-129.9136.7166.3-174.4-179.720.300109.2P248 L372Q200-P248 HydrophobicContact CG-CB 4.43Å; Q200-L372 PolarHBondContact N-O 2.8Å; Q200-L372 PolarHBondContact O-N 3.09Å
201V95.8Very high85.5Confident4 Ų437.3 Ų37.32%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-105.1120.2175.8-167.60000109.7P248 D249 F353 L365 V370 I371V201-P248 WeakPolarHBondContact O-CA 3.49Å; V201-D249 HydrophobicContact CB-CB 4Å; V201-D249 HydrophobicContact CG2-CB 4.41Å; V201-D249 PolarHBondContact O-N 3.09Å; V201-F353 HydrophobicContact CG2-CE1 4.45Å; V201-F353 HydrophobicContact CG2-CE2 4.11Å; V201-F353 HydrophobicContact CG2-CZ 3.76Å; V201-L365 HydrophobicContact CG1-CD1 3.9Å; V201-V370 CarbonylContact C-O 3.55Å; V201-V370 WeakPolarHBondContact CA-O 3.45Å; V201-I371 HydrophobicContact CG1-CG1 4.42Å; V201-I371 HydrophobicContact CG2-CG1 4.27Å
202I95.1Very high83.4Confident42 Ų4242.9 Ų42.922%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-97.8117.4174.4-56-179.2000108.2I207 D369 V370 L372I202-I207 HydrophobicContact CG2-CD1 3.85Å; I202-I207 HydrophobicContact CG2-CG1 3.54Å; I202-D369 CarbonylContact O-C 3.57Å; I202-D369 VanDerWaalsContact O-CA 3.31Å; I202-D369 WeakPolarHBondContact O-CA 3.42Å; I202-V370 HydrophobicContact CB-CB 4.48Å; I202-V370 PolarHBondContact N-O 2.93Å; I202-V370 PolarHBondContact O-N 2.96Å; I202-L372 HydrophobicContact CD1-CD1 3.5Å; I202-L372 VanDerWaalsContact CD1-CD1 3.5Å; I202-L372 HydrophobicContact CD1-CG 4.08Å; I202-L372 HydrophobicContact CG1-CD1 4.22Å
203R94.2Very high81.1Confident30 Ų3048.9 Ų48.911%0.11326%0.263CS..  trans-82.2143179.9-52.2-55.9-174.1163.3-0.1111.1S205 V206 I207 D249 L364 D369R203-S205 PolarHBondContact O-N 2.77Å; R203-V206 HydrophobicContact CB-CG2 4.14Å; R203-V206 WeakPolarHBondContact O-CB 3.09Å; R203-V206 WeakPolarHBondContact O-CG2 3.49Å; R203-V206 PolarHBondContact O-N 3.46Å; R203-I207 PolarHBondContact O-N 3.33Å; R203-D249 IonicContact CZ-OD1 3.6Å; R203-D249 IonicContact CZ-OD2 2.68Å; R203-D249 IonicContact NE-OD1 3.44Å; R203-D249 PolarHBondContact NE-OD1 3.45Å; R203-D249 IonicContact NE-OD2 3.12Å; R203-D249 PolarHBondContact NE-OD2 2.71Å; R203-D249 IonicContact NH2-OD1 3.01Å; R203-D249 IonicContact NH2-OD2 3.46Å; R203-D249 PolarHBondContact NH2-OD2 3.35Å; R203-L364 PolarHBondContact NH1-O 3.43Å; R203-D369 WeakPolarHBondContact CA-OD1 3.31Å; R203-D369 IonicContact NH1-OD2 3.06Å; R203-D369 PolarHBondContact NH1-OD2 3.19Å; R203-D369 VanDerWaalsContact NH1-OD2 3.12Å
204S87Confident78.4Confident29 Ų2954.1 Ų54.120%0.20329%0.291CS..Hα-helixtrans-55.8-35.9-177.3-1790000113.5V206 I207 N208 G368 D369S204-V206 PolarHBondContact O-N 2.98Å; S204-I207 PolarHBondContact O-N 3.25Å; S204-I207 VanDerWaalsContact O-N 3.13Å; S204-N208 PolarHBondContact O-N 3.46Å; S204-N208 VanDerWaalsContact O-N 3.1Å; S204-G368 WeakPolarHBondContact CB-O 3.44Å; S204-D369 PolarHBondContact N-OD1 2.57Å
205S79.8Confident75.6Confident42 Ų4262.2 Ų62.229%0.29433%0.327SS..Hα-helixtrans-54.2-37.317548.10000112.5R203 H209 S245R203-S205 PolarHBondContact O-N 2.77Å; S205-H209 PolarHBondContact O-CD2 3.49Å; S205-H209 PolarHBondContact O-N 3.22Å; S205-S245 PolarHBondContact OG-O 2.98Å
206V72.1Confident72.4Confident19 Ų1969.2 Ų69.212%0.11536%0.364CS..Hα-helixtrans-73.6-41.3179.1-164.70000111.2R203 S204 N208 H209 N210 S246 P248R203-V206 HydrophobicContact CB-CG2 4.14Å; R203-V206 WeakPolarHBondContact O-CB 3.09Å; R203-V206 WeakPolarHBondContact O-CG2 3.49Å; R203-V206 PolarHBondContact O-N 3.46Å; S204-V206 PolarHBondContact O-N 2.98Å; V206-N208 VanDerWaalsContact C-N 3.33Å; V206-N208 PolarHBondContact O-N 3.47Å; V206-H209 PolarHBondContact O-N 2.97Å; V206-N210 PolarHBondContact O-N 2.78Å; V206-S246 VanDerWaalsContact CG2-C 3.42Å; V206-S246 WeakPolarHBondContact CG2-O 3.21Å; V206-P248 HydrophobicContact CG1-CG 4.41Å
207I72.3Confident69.4Low60 Ų6075.9 Ų75.931%0.30840%0.398SS..Hα-helixtrans-63.4-42.2-177.2-58.6175.6000110.5I202 R203 S204 N210 S211 V370I202-I207 HydrophobicContact CG2-CD1 3.85Å; I202-I207 HydrophobicContact CG2-CG1 3.54Å; R203-I207 PolarHBondContact O-N 3.33Å; S204-I207 PolarHBondContact O-N 3.25Å; S204-I207 VanDerWaalsContact O-N 3.13Å; I207-N210 PolarHBondContact O-N 3.28Å; I207-S211 PolarHBondContact O-N 3.36Å; I207-S211 PolarHBondContact O-OG 2.93Å; I207-V370 HydrophobicContact CD1-CG2 4.13Å
208N67.3Low66.3Low91 Ų9183.7 Ų83.749%0.48744%0.435SS..Hα-helixtrans-69.6-36.1179.6-68-19000112.3S204 V206 S211 N212S204-N208 PolarHBondContact O-N 3.46Å; S204-N208 VanDerWaalsContact O-N 3.1Å; V206-N208 VanDerWaalsContact C-N 3.33Å; V206-N208 PolarHBondContact O-N 3.47Å; N208-S211 PolarHBondContact O-N 2.78Å; N208-N212 PolarHBondContact O-N 3.29Å; N208-N212 VanDerWaalsContact O-N 3.09Å
209H61Low63.3Low125 Ų12589.9 Ų89.958%0.57947%0.467SS*.Hα-helixtrans-64.7-39.6176.4-93.2-60.8000113S205 V206 S211S205-H209 PolarHBondContact O-CD2 3.49Å; S205-H209 PolarHBondContact O-N 3.22Å; V206-H209 PolarHBondContact O-N 2.97Å; H209-S211 VanDerWaalsContact C-N 3.32Å; H209-S211 PolarHBondContact O-N 2.74Å
210N57Low60Low120 Ų12095.2 Ų95.264%0.64250%0.5SS*.Hα-helixtrans-70.4-29.3176.8-79.1-10.5000113V206 I207V206-N210 PolarHBondContact O-N 2.78Å; I207-N210 PolarHBondContact O-N 3.28Å
211S56.6Low56.8Low70 Ų7096.5 Ų96.549%0.4952%0.517SS..Hα-helixtrans-77.8-32.6179.7-55.20000112.4I207 N208 H209I207-S211 PolarHBondContact O-N 3.36Å; I207-S211 PolarHBondContact O-OG 2.93Å; N208-S211 PolarHBondContact O-N 2.78Å; H209-S211 VanDerWaalsContact C-N 3.32Å; H209-S211 PolarHBondContact O-N 2.74Å
212N50Low53.6Low123 Ų123102.2 Ų102.266%0.65855%0.552SS**Hα-helixtrans-78-15.1-178.2-77.4-5.5000114.5N208 N214N208-N212 PolarHBondContact O-N 3.29Å; N208-N212 VanDerWaalsContact O-N 3.09Å; N212-N214 PolarHBondContact O-N 3.07Å
213N45.2Very low50.3Low133 Ų133106.6 Ų106.671%0.71158%0.581SS**THydrogen-bonded Turntrans-797176.5-78.4-7000114.1
214N36.8Very low47.4Very low136 Ų136110.4 Ų110.473%0.72761%0.612SS**THydrogen-bonded Turntrans-124.618.8-176.2-98.5-3.4000115.5N212N212-N214 PolarHBondContact O-N 3.07Å
215F36.6Very low44.5Very low191 Ų191114.3 Ų114.384%0.83864%0.639SS**  trans-142.694169.8-88-81.3000112.6
216D29Very low42Very low156 Ų156118.9 Ų118.983%0.83467%0.67SS**  trans-88.4149.4147.4-95.3-35.6000109.2
217I34.7Very low39.9Very low139 Ų139123 Ų12371%0.71370%0.7SS**  trans99.794.5165-48.6-178.7000117.3
218Q30.9Very low37.8Very low164 Ų164125.4 Ų125.477%0.76672%0.721SS**  trans68.8109.2135-65.1175.22.200120.8
219N34.2Very low36Very low139 Ų139129.4 Ų129.474%0.74374%0.737SS**  173.3122.894.8-93.7-26.6000114.4
220T28.5Very low34.4Very low113 Ų113130.5 Ų130.569%0.69375%0.748SS**  trans13.8124137.850.60000122.6
221S29Very low33.1Very low100 Ų100134 Ų13470%0.69976%0.76SS**  68.6115.3124.2-38.30000121.5
222T27.6Very low31.8Very low124 Ų124136.4 Ų136.476%0.76177%0.774SS**  155.4134.4104.639.70000115
223T26.2Very low30.6Very low134 Ų134140.2 Ų140.282%0.82279%0.788SS**  trans67.1143.5148.657.30000119.3
224S33.2Very low29.8Very low111 Ų111138.3 Ų138.378%0.77679%0.79SS**  cis-164.1150.513.339.70000110.8
225S25.7Very low29.4Very low110 Ų110136.5 Ų136.577%0.76979%0.788SS**  trans-63.1140.2167.549.20000114.3
226C28.6Very low28.9Very low138 Ų138135.3 Ų135.393%0.93279%0.791SS**  trans-152.6142.8147.1-97.30000110.2
227S27.8Very low28.9Very low107 Ų107138 Ų13875%0.74879%0.791SS**  trans-109.6148.9-16346.80000113.2
228S27.4Very low28.8Very low109 Ų109136.5 Ų136.576%0.76279%0.793SS**  trans68.5119.8146.8-45.10000120.4
229E29.7Very low28.8Very low176 Ų176135.1 Ų135.182%0.82279%0.79SS**  -179.9121.4105.6-95.7179.9-175.600113.7
230N27.1Very low28.9Very low148 Ų148136 Ų13679%0.79180%0.795SS**  trans38.1107.4142.8-62-25.5000121.5
231Q30.8Very low29.5Very low192 Ų192136.2 Ų136.290%0.89779%0.791SS**  trans-141.3152.5147.5-87.2-161.2-4.900111.7
232P28.5Very low29.7Very low121 Ų121134.5 Ų134.579%0.78679%0.789SS**  trans-82.5151.7-148.232.3-34.4000114.2A234P232-A234 PolarHBondContact O-N 3.27Å; P232-A234 VanDerWaalsContact O-N 3.15Å
233Q24.8Very low30.4Very low204 Ų204134.5 Ų134.595%0.95379%0.794SS**  trans-51.7109.4177.5-72.2174-37.700112.4
234A29.1Very low31.7Very low92 Ų92133.1 Ų133.176%0.7677%0.773SS**  trans-97.4131.6158.800000109.2P232P232-A234 PolarHBondContact O-N 3.27Å; P232-A234 VanDerWaalsContact O-N 3.15Å
235S29Very low32.6Very low98 Ų98130.7 Ų130.769%0.68576%0.757SS**  trans-24.2130.617853.60000117.2Y237S235-Y237 PolarHBondContact O-N 2.74Å
236N25.9Very low34.2Very low167 Ų167129.1 Ų129.189%0.89375%0.746SS**  trans-4994.8165.8-73.4-27.1000112.3
237Y28.6Very low35.4Very low212 Ų212126.4 Ų126.483%0.83173%0.725SS**  trans-87.8101.2143.8-87.5-88.9000106.1S235 N239S235-Y237 PolarHBondContact O-N 2.74Å; Y237-N239 PolarHBondContact O-N 3.32Å
238S32.4Very low37.2Very low108 Ų108123.6 Ų123.676%0.75570%0.704SS**  trans-51.2119.8172.436.60000110.1D240S238-D240 PolarHBondContact O-N 3.14Å
239N30.4Very low39.8Very low134 Ų134120.7 Ų120.772%0.71768%0.68SS**  trans-61.996.7173.3-82.2-37.1000110.7Y237 I241Y237-N239 PolarHBondContact O-N 3.32Å; N239-I241 HydrophobicContact CB-CD1 3.93Å; N239-I241 HydrophobicContact CB-CG1 4.05Å; N239-I241 PolarHBondContact O-N 2.87Å
240D36.3Very low42.3Very low158 Ų158118.4 Ų118.485%0.84568%0.678SS**  trans-7565.7158-98.6-19.3000109.7S238 G242S238-D240 PolarHBondContact O-N 3.14Å; D240-G242 VanDerWaalsContact C-N 3.27Å
241I42.2Very low45.4Very low118 Ų118116.4 Ų116.461%0.60566%0.664SS**  trans-88.90.6169.6-66171.9000110.4N239 S243N239-I241 HydrophobicContact CB-CD1 3.93Å; N239-I241 HydrophobicContact CB-CG1 4.05Å; N239-I241 PolarHBondContact O-N 2.87Å; I241-S243 PolarHBondContact O-N 3.2Å
242G33.1Very low48.5Very low63 Ų63110.1 Ų110.165%0.64963%0.633SS**THydrogen-bonded Turntrans-73.6124.3175.400000112.1D240D240-G242 VanDerWaalsContact C-N 3.27Å
243S42.2Very low51.8Low124 Ų124104.6 Ų104.687%0.86760%0.597SS**THydrogen-bonded Turntrans72.753173.2-177.70000116.7I241I241-S243 PolarHBondContact O-N 3.2Å
244R51.9Low55.2Low105 Ų10594.9 Ų94.940%0.39655%0.551SS.*  trans-81.6122.1163.1-68.3-178.5112.2-139.8-24.4109.9S246 H366 D369R244-S246 PolarHBondContact O-N 3.01Å; R244-H366 PolarHBondContact NH2-CD2 3.42Å; R244-D369 IonicContact CZ-OD2 3.93Å; R244-D369 IonicContact NH2-OD1 3.68Å; R244-D369 IonicContact NH2-OD2 2.8Å; R244-D369 PolarHBondContact NH2-OD2 2.97Å
245S53.2Low58.5Low60 Ų6090.5 Ų90.542%0.4252%0.515SS..  trans-53.9130.9174.7-177.40000110.7S205 T247S205-S245 PolarHBondContact OG-O 2.98Å; S245-T247 PolarHBondContact OG-N 2.85Å; S245-T247 PolarHBondContact OG-O 3.06Å; S245-T247 PolarHBondContact OG-OG1 2.6Å
246S58.4Low61.7Low77 Ų7786.4 Ų86.454%0.53849%0.485SS..SBendtrans-85.18.4172.656.40000112.7V206 R244V206-S246 VanDerWaalsContact CG2-C 3.42Å; V206-S246 WeakPolarHBondContact CG2-O 3.21Å; R244-S246 PolarHBondContact O-N 3.01Å
247T54.5Low65.2Low82 Ų8278.9 Ų78.950%0.50345%0.445SS..SBendtrans-112.9150.5173.559.40000110.5S245S245-T247 PolarHBondContact OG-N 2.85Å; S245-T247 PolarHBondContact OG-O 3.06Å; S245-T247 PolarHBondContact OG-OG1 2.6Å
248P65.5Low68.5Low48 Ų4868.8 Ų68.831%0.31241%0.405SS..PPolyproline II helixtrans-53.6144.2167.3-20.632000109.9Q200 V201 V206Q200-P248 HydrophobicContact CG-CB 4.43Å; V201-P248 WeakPolarHBondContact O-CA 3.49Å; V206-P248 HydrophobicContact CG1-CG 4.41Å
249D81.8Confident71.6Confident48 Ų4864 Ų6426%0.25737%0.371SS..PPolyproline II helixtrans-62.7145.5171-64.210.9000108.3V201 R203V201-D249 HydrophobicContact CB-CB 4Å; V201-D249 HydrophobicContact CG2-CB 4.41Å; V201-D249 PolarHBondContact O-N 3.09Å; R203-D249 IonicContact CZ-OD1 3.6Å; R203-D249 IonicContact CZ-OD2 2.68Å; R203-D249 IonicContact NE-OD1 3.44Å; R203-D249 PolarHBondContact NE-OD1 3.45Å; R203-D249 IonicContact NE-OD2 3.12Å; R203-D249 PolarHBondContact NE-OD2 2.71Å; R203-D249 IonicContact NH2-OD1 3.01Å; R203-D249 IonicContact NH2-OD2 3.46Å; R203-D249 PolarHBondContact NH2-OD2 3.35Å
250T83.5Confident74.9Confident128 Ų12857.6 Ų57.679%0.78534%0.337SS*.PPolyproline II helixtrans-57.5142.5177.646.80000111Y252T250-Y252 PolarHBondContact O-N 3.37Å
251E92.4Very high77.8Confident105 Ų10550.8 Ų50.849%0.49130%0.301SS..PPolyproline II helixtrans-52.7132.7174.5-167.8178.5-177.800110.8C198 C199 H253C198-E251 VanDerWaalsContact SG-CD 3.51Å; C198-E251 WeakPolarHBondContact SG-CG 3.33Å; C198-E251 PolarHBondContact SG-OE1 3.46Å; C199-E251 WeakPolarHBondContact O-CA 3.36Å; E251-H253 IonicContact OE1-CE1 2.94Å; E251-H253 PolarHBondContact OE1-CE1 3.05Å; E251-H253 VanDerWaalsContact OE1-CE1 3.26Å; E251-H253 IonicContact OE1-NE2 3.53Å
252Y95.7Very high80.3Confident60 Ų6049 Ų4924%0.23529%0.286CS..EExtended strand (participates in β ladder)trans-126.4132.3-178.7-163.5-98.1000111.4S149 Q152 C198 C199 T250 F254 F355S149-Y252 WeakPolarHBondContact CB-OH 3.47Å; Q152-Y252 VanDerWaalsContact OE1-CD2 3.24Å; C198-Y252 CarbonylContact C-O 3.5Å; C198-Y252 WeakPolarHBondContact CA-O 3.25Å; C199-Y252 PolarHBondContact N-O 2.99Å; C199-Y252 PolarHBondContact O-N 3.11Å; T250-Y252 PolarHBondContact O-N 3.37Å; Y252-F254 HydrophobicContact CD1-CB 4.37Å; Y252-F254 HydrophobicContact CD1-CD1 4.17Å; Y252-F254 HydrophobicContact CE1-CB 4.22Å; Y252-F355 HydrophobicContact CD1-CB 3.94Å; Y252-F355 HydrophobicContact CD1-CD1 4.15Å; Y252-F355 AromaticContact CD1-CD2 3.47Å; Y252-F355 HydrophobicContact CD1-CD2 3.47Å; Y252-F355 VanDerWaalsContact CD1-CD2 3.47Å; Y252-F355 AromaticContact CD1-CE2 3.93Å; Y252-F355 HydrophobicContact CD1-CE2 3.93Å; Y252-F355 AromaticContact CD1-CG 3.59Å; Y252-F355 HydrophobicContact CD1-CG 3.59Å; Y252-F355 HydrophobicContact CD1-CZ 4.44Å; Y252-F355 HydrophobicContact CE1-CB 3.68Å; Y252-F355 AromaticContact CE1-CD2 3.79Å; Y252-F355 HydrophobicContact CE1-CD2 3.79Å; Y252-F355 AromaticContact CE1-CG 3.84Å; Y252-F355 HydrophobicContact CE1-CG 3.84Å; Y252-F355 HydrophobicContact CG-CD2 4.14Å; Y252-F355 HydrophobicContact CG-CE2 4.2Å
253H96.6Very high83.2Confident6 Ų646.6 Ų46.63%0.02826%0.262CS..EExtended strand (participates in β ladder)trans-110.7130.2-179.4-57.8-72.5000111.6Q152 L197 E251 S376 F378Q152-H253 PolarHBondContact NE2-O 3.14Å; Q152-H253 PolarHBondContact O-CD2 3.49Å; L197-H253 VanDerWaalsContact O-CA 3.26Å; L197-H253 WeakPolarHBondContact O-CA 3.2Å; E251-H253 IonicContact OE1-CE1 2.94Å; E251-H253 PolarHBondContact OE1-CE1 3.05Å; E251-H253 VanDerWaalsContact OE1-CE1 3.26Å; E251-H253 IonicContact OE1-NE2 3.53Å; H253-S376 PolarHBondContact ND1-OG 2.95Å; H253-F378 AromaticContact CE1-CD2 3.96Å; H253-F378 AromaticContact NE2-CD2 3.82Å; H253-F378 AromaticContact NE2-CE2 3.95Å
254F97.2Very high85.5Confident0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-141.7156.4-173.956.7-82.1000111.2R196 L197 C199 Y252 D257 L258 F355R196-F254 CarbonylContact C-O 3.48Å; R196-F254 VanDerWaalsContact CA-O 3.28Å; R196-F254 WeakPolarHBondContact CA-O 3.37Å; R196-F254 WeakPolarHBondContact CB-O 3.32Å; R196-F254 WeakPolarHBondContact CG-O 3.34Å; L197-F254 HydrophobicContact CB-CD1 4.27Å; L197-F254 HydrophobicContact CB-CD2 3.94Å; L197-F254 HydrophobicContact CB-CE1 3.69Å; L197-F254 HydrophobicContact CB-CE2 3.31Å; L197-F254 HydrophobicContact CB-CG 4.38Å; L197-F254 HydrophobicContact CB-CZ 3.18Å; L197-F254 HydrophobicContact CD1-CD2 4.46Å; L197-F254 HydrophobicContact CD1-CE2 3.49Å; L197-F254 VanDerWaalsContact CD1-CE2 3.49Å; L197-F254 HydrophobicContact CD1-CZ 3.84Å; L197-F254 HydrophobicContact CG-CE2 4.02Å; L197-F254 HydrophobicContact CG-CZ 4.11Å; L197-F254 PolarHBondContact N-O 3.33Å; L197-F254 PolarHBondContact O-N 2.64Å; C199-F254 HydrophobicContact CB-CE1 3.6Å; C199-F254 HydrophobicContact CB-CZ 4.34Å; Y252-F254 HydrophobicContact CD1-CB 4.37Å; Y252-F254 HydrophobicContact CD1-CD1 4.17Å; Y252-F254 HydrophobicContact CE1-CB 4.22Å; F254-D257 VanDerWaalsContact CD2-C 3.48Å; F254-D257 WeakPolarHBondContact CD2-O 3.45Å; F254-L258 HydrophobicContact CE2-CB 3.68Å; F254-L258 HydrophobicContact CZ-CB 3.59Å; F254-F355 HydrophobicContact CB-CB 4.01Å; F254-F355 HydrophobicContact CD1-CB 4.38Å; F254-F355 AromaticContact CD1-CD1 3.51Å; F254-F355 HydrophobicContact CD1-CD1 3.51Å; F254-F355 HydrophobicContact CD1-CE1 4.09Å; F254-F355 HydrophobicContact CD1-CG 4.19Å; F254-F355 HydrophobicContact CD2-CD1 4.42Å; F254-F355 AromaticContact CE1-CD1 3.6Å; F254-F355 HydrophobicContact CE1-CD1 3.6Å; F254-F355 AromaticContact CE1-CE1 3.82Å; F254-F355 HydrophobicContact CE1-CE1 3.82Å; F254-F355 HydrophobicContact CE2-CD1 4.47Å; F254-F355 HydrophobicContact CG-CB 4.13Å; F254-F355 AromaticContact CG-CD1 3.96Å; F254-F355 HydrophobicContact CG-CD1 3.96Å; F254-F355 HydrophobicContact CG-CG 4.42Å; F254-F355 HydrophobicContact CZ-CD1 4.08Å; F254-F355 HydrophobicContact CZ-CE1 4.39Å
255L97.2Very high87.5Confident0 Ų045.4 Ų45.40%026%0.255CS..SBendtrans-94.9-47-166-176.664.7000113.6L144 L145 R194 R196 T292 T294 D356 V380L144-L255 HydrophobicContact CD2-CD2 4.05Å; L144-L255 HydrophobicContact CG-CD2 4.19Å; L145-L255 HydrophobicContact CD2-CB 3.9Å; L145-L255 HydrophobicContact CD2-CD2 3.98Å; L145-L255 HydrophobicContact CD2-CG 4.29Å; R194-L255 HydrophobicContact CB-CD1 3.86Å; R196-L255 HydrophobicContact CG-CD1 3.93Å; L255-T292 WeakPolarHBondContact O-CB 2.9Å; L255-T292 WeakPolarHBondContact O-CG2 3.37Å; L255-T292 PolarHBondContact O-OG1 2.88Å; L255-T294 HydrophobicContact CD2-CG2 4.31Å; L255-T294 HydrophobicContact CG-CG2 4.14Å; L255-D356 PolarHBondContact N-OD1 2.84Å; L255-D356 PolarHBondContact N-OD2 2.82Å; L255-V380 HydrophobicContact CD1-CB 4.31Å; L255-V380 HydrophobicContact CD1-CG2 4.05Å
256N97.3Very high89.4Confident12 Ų1248.1 Ų48.16%0.06427%0.271CS..SBendtrans-90.4-72-175-81-2.8000111L145 S291 T292 D356L145-N256 HydrophobicContact CD2-CB 4.11Å; L145-N256 VanDerWaalsContact CD2-CG 3.48Å; L145-N256 WeakPolarHBondContact CD2-ND2 3.11Å; N256-S291 CarbonylContact O-C 3.58Å; N256-S291 WeakPolarHBondContact O-CA 3.36Å; N256-S291 WeakPolarHBondContact O-CB 3.33Å; N256-T292 PolarHBondContact O-N 3.21Å; N256-T292 PolarHBondContact O-OG1 2.82Å; N256-D356 WeakPolarHBondContact CA-OD1 3.38Å; N256-D356 WeakPolarHBondContact CB-OD1 3.48Å; N256-D356 PolarHBondContact N-OD1 2.92Å
257D98.1Very high91Very high8 Ų849.4 Ų49.44%0.04327%0.267CS..EExtended strand (participates in β ladder)trans-155.3151.8-162.749.430.2000114.9F254 I289 I290 D356F254-D257 VanDerWaalsContact CD2-C 3.48Å; F254-D257 WeakPolarHBondContact CD2-O 3.45Å; D257-I289 HydrophobicContact CB-CG2 3.75Å; D257-I290 WeakPolarHBondContact CA-O 3.47Å; D257-D356 PolarHBondContact N-OD1 3.12Å; D257-D356 PolarHBondContact O-N 3.37Å
258L98.3Very high92.9Very high0 Ų048.3 Ų48.30%026%0.258CS..EExtended strand (participates in β ladder)trans-102.4122.3161.116664.7000106.6F254 I260 I289 I290 F353 S354 F355 I371 V373F254-L258 HydrophobicContact CE2-CB 3.68Å; F254-L258 HydrophobicContact CZ-CB 3.59Å; L258-I260 HydrophobicContact CD1-CG1 4.22Å; L258-I260 HydrophobicContact CD2-CD1 4.26Å; L258-I260 HydrophobicContact CD2-CG1 4.42Å; L258-I260 HydrophobicContact CG-CG1 4.15Å; L258-I289 CarbonylContact O-C 3.54Å; L258-I289 WeakPolarHBondContact O-CA 3.37Å; L258-I290 HydrophobicContact CB-CB 4.46Å; L258-I290 HydrophobicContact CD2-CD1 3.82Å; L258-I290 HydrophobicContact CG-CD1 4.44Å; L258-I290 PolarHBondContact N-O 3.26Å; L258-I290 PolarHBondContact O-N 3.03Å; L258-F353 HydrophobicContact CD1-CB 3.98Å; L258-F353 HydrophobicContact CD1-CD2 4.07Å; L258-F353 HydrophobicContact CD1-CG 4.47Å; L258-S354 WeakPolarHBondContact CA-O 3.2Å; L258-S354 WeakPolarHBondContact CD1-O 3.5Å; L258-F355 HydrophobicContact CD1-CD1 4.01Å; L258-F355 HydrophobicContact CD1-CE1 3.77Å; L258-I371 HydrophobicContact CD2-CG2 3.77Å; L258-V373 HydrophobicContact CD2-CG2 3.34Å
259V98.5Very high94.4Very high7 Ų746.1 Ų46.14%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-110.1127.2174.8-177.50000107.7I289 Y299 I320 F353 S354V259-I289 HydrophobicContact CG2-CG1 4.44Å; V259-I289 HydrophobicContact CG2-CG2 4.38Å; V259-Y299 HydrophobicContact CG1-CD1 4.16Å; V259-Y299 HydrophobicContact CG1-CE1 3.81Å; V259-Y299 HydrophobicContact CG2-CD1 3.68Å; V259-Y299 HydrophobicContact CG2-CE1 4.21Å; V259-I320 HydrophobicContact CG1-CD1 4.04Å; V259-F353 CarbonylContact O-C 3.51Å; V259-F353 WeakPolarHBondContact O-CA 3.47Å; V259-S354 PolarHBondContact N-O 2.84Å; V259-S354 PolarHBondContact O-N 2.86Å
260I98.3Very high95.1Very high0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-118.3128.3172-54.9167.2000107.3L258 L271 G287 L288 I340 V351 H352 F353 I371L258-I260 HydrophobicContact CD1-CG1 4.22Å; L258-I260 HydrophobicContact CD2-CD1 4.26Å; L258-I260 HydrophobicContact CD2-CG1 4.42Å; L258-I260 HydrophobicContact CG-CG1 4.15Å; I260-L271 HydrophobicContact CB-CD1 4.21Å; I260-L271 HydrophobicContact CG2-CD1 3.85Å; I260-L271 HydrophobicContact CG2-CD2 4.04Å; I260-G287 CarbonylContact O-C 3.38Å; I260-G287 WeakPolarHBondContact O-CA 3.48Å; I260-L288 PolarHBondContact N-O 2.81Å; I260-L288 PolarHBondContact O-N 3.39Å; I260-I340 HydrophobicContact CD1-CB 4.02Å; I260-I340 HydrophobicContact CD1-CG1 4.37Å; I260-I340 HydrophobicContact CD1-CG2 3.63Å; I260-V351 HydrophobicContact CG2-CB 4.25Å; I260-V351 HydrophobicContact CG2-CG2 3.56Å; I260-H352 CarbonylContact C-O 3.58Å; I260-H352 VanDerWaalsContact CA-O 3.31Å; I260-H352 WeakPolarHBondContact CA-O 3.32Å; I260-F353 HydrophobicContact CG1-CB 4.03Å; I260-I371 HydrophobicContact CD1-CD1 3.9Å; I260-I371 HydrophobicContact CG1-CD1 4.16Å
261D97.3Very high95.8Very high16 Ų1638.7 Ų38.79%0.08620%0.199CC..EExtended strand (participates in β ladder)trans-158.8170.8-177.57090.6000113.5G263 D286 V351 H352 R360D261-G263 PolarHBondContact O-N 3.3Å; D261-G263 PolarHBondContact OD1-N 3.28Å; D261-D286 VanDerWaalsContact CA-O 3.29Å; D261-D286 WeakPolarHBondContact CA-O 3.38Å; D261-D286 VanDerWaalsContact CB-O 3.29Å; D261-D286 WeakPolarHBondContact CB-O 3.44Å; D261-V351 WeakPolarHBondContact O-CB 3.25Å; D261-H352 PolarHBondContact N-O 3.02Å; D261-H352 PolarHBondContact O-N 3.2Å; D261-R360 IonicContact OD1-CZ 2.96Å; D261-R360 IonicContact OD1-NH1 3.74Å; D261-R360 PolarHBondContact OD1-NH1 2.96Å; D261-R360 IonicContact OD1-NH2 2.74Å; D261-R360 PolarHBondContact OD1-NH2 3.21Å; D261-R360 IonicContact OD2-CZ 2.57Å; D261-R360 IonicContact OD2-NH1 2.61Å; D261-R360 PolarHBondContact OD2-NH1 3.23Å; D261-R360 IonicContact OD2-NH2 3.17Å
262R95.7Very high96Very high79 Ų7935 Ų3530%0.29818%0.182SC..  trans-72.5-8.7-168.566.7177.1176.3757.8115.1L264 S265 C269 D286R262-L264 PolarHBondContact O-N 3.01Å; R262-S265 PolarHBondContact NH1-O 3.45Å; R262-S265 WeakPolarHBondContact O-CB 3.48Å; R262-S265 PolarHBondContact O-N 3.36Å; R262-C269 WeakPolarHBondContact CA-SG 3.47Å; R262-C269 PolarHBondContact N-SG 3.48Å; R262-D286 IonicContact CZ-OD1 3.43Å; R262-D286 PolarHBondContact N-O 3.4Å; R262-D286 IonicContact NE-OD1 3.39Å; R262-D286 PolarHBondContact NE-OD1 3.33Å; R262-D286 IonicContact NH2-OD1 3.7Å; R262-D286 PolarHBondContact NH2-OD1 3.09Å
263G92.9Very high96.2Very high13 Ų1332.3 Ų32.313%0.13417%0.172CC..THydrogen-bonded Turntrans66.5-139.2-175.200000112.8D261 R360D261-G263 PolarHBondContact O-N 3.3Å; D261-G263 PolarHBondContact OD1-N 3.28Å; G263-R360 VanDerWaalsContact CA-NH2 3.26Å
264L92.2Very high96.2Very high177 Ų17734.4 Ų34.493%0.92718%0.181SC*.THydrogen-bonded Turntrans-85.63.6171.9-58.7177.4000112.4R262R262-L264 PolarHBondContact O-N 3.01Å
265S92.9Very high96.3Very high27 Ų2736.1 Ų36.119%0.18919%0.192CC..  trans-59.9133178.8173.20000110.4R262 F267R262-S265 PolarHBondContact NH1-O 3.45Å; R262-S265 WeakPolarHBondContact O-CB 3.48Å; R262-S265 PolarHBondContact O-N 3.36Å; S265-F267 PolarHBondContact OG-N 3.33Å; S265-F267 PolarHBondContact OG-O 3.14Å
266P92.8Very high96.3Very high117 Ų11741 Ų4176%0.7622%0.217SC*.SBendtrans-73-20.117131.5-35.2000112
267F93.3Very high96.2Very high104 Ų10442.5 Ų42.546%0.45624%0.236SC..SBendtrans-82.9140.4175-55.2-64.4000110.6S265 R347 C348S265-F267 PolarHBondContact OG-N 3.33Å; S265-F267 PolarHBondContact OG-O 3.14Å; F267-R347 HydrophobicContact CB-CB 4.34Å; F267-R347 HydrophobicContact CD1-CB 4.07Å; F267-R347 HydrophobicContact CG-CB 4.07Å; F267-C348 HydrophobicContact CB-CB 4.45Å
268I94.6Very high96.2Very high60 Ų6051.8 Ų51.831%0.30827%0.27SS..PPolyproline II helixtrans-59.1154.5170.663.1177.9000111.4E284 G285 L323I268-E284 HydrophobicContact CD1-CB 4.11Å; I268-G285 WeakPolarHBondContact CB-O 3.36Å; I268-L323 HydrophobicContact CD1-CD1 3.45Å; I268-L323 VanDerWaalsContact CD1-CD1 3.45Å; I268-L323 HydrophobicContact CD1-CG 4.49Å
269C95.6Very high96.2Very high1 Ų157.7 Ų57.71%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-66.7141.4161.7-76.40000110R262 L271 E284 G285 V351R262-C269 WeakPolarHBondContact CA-SG 3.47Å; R262-C269 PolarHBondContact N-SG 3.48Å; C269-L271 HydrophobicContact CB-CD1 4.2Å; C269-L271 HydrophobicContact CB-CD2 4.47Å; C269-L271 HydrophobicContact CB-CG 4Å; C269-E284 VanDerWaalsContact O-CA 3.28Å; C269-E284 WeakPolarHBondContact O-CA 3.28Å; C269-G285 WeakPolarHBondContact CB-O 3.47Å; C269-G285 PolarHBondContact N-O 3.16Å; C269-G285 PolarHBondContact O-N 3.17Å; C269-G285 VanDerWaalsContact O-N 3.11Å; C269-V351 VanDerWaalsContact SG-CG1 3.57Å
270D96.7Very high96.1Very high21 Ų2161.9 Ų61.911%0.11232%0.323CS..EExtended strand (participates in β ladder)trans-132.391.6171.6172.1-4.7000105.5T282 A343 A346D270-T282 WeakPolarHBondContact OD1-CG2 3.19Å; D270-A343 PolarHBondContact O-N 3.22Å; D270-A343 WeakPolarHBondContact OD1-CB 3.19Å; D270-A346 HydrophobicContact CB-CB 3.63Å; D270-A346 VanDerWaalsContact OD2-CA 3.3Å; D270-A346 WeakPolarHBondContact OD2-CA 3.44Å; D270-A346 PolarHBondContact OD2-N 2.85Å
271L97.8Very high95.9Very high0 Ų065.5 Ų65.50%035%0.346CS..EExtended strand (participates in β ladder)trans-107.5111.8-168-60.4175.2000110.4I260 C269 T282 V283 L288 I340 S341 I342 V351I260-L271 HydrophobicContact CB-CD1 4.21Å; I260-L271 HydrophobicContact CG2-CD1 3.85Å; I260-L271 HydrophobicContact CG2-CD2 4.04Å; C269-L271 HydrophobicContact CB-CD1 4.2Å; C269-L271 HydrophobicContact CB-CD2 4.47Å; C269-L271 HydrophobicContact CB-CG 4Å; L271-T282 CarbonylContact O-C 3.41Å; L271-T282 VanDerWaalsContact O-CA 3.27Å; L271-T282 WeakPolarHBondContact O-CA 3.48Å; L271-V283 PolarHBondContact N-O 2.99Å; L271-V283 PolarHBondContact O-N 3.13Å; L271-L288 HydrophobicContact CD1-CB 3.72Å; L271-L288 HydrophobicContact CD1-CD2 4.43Å; L271-I340 HydrophobicContact CB-CG2 4.22Å; L271-I340 HydrophobicContact CD2-CG2 4.49Å; L271-S341 CarbonylContact C-O 3.59Å; L271-S341 WeakPolarHBondContact CA-O 3.32Å; L271-I342 HydrophobicContact CD2-CG1 4.45Å; L271-V351 HydrophobicContact CD2-CG1 4.4Å; L271-V351 HydrophobicContact CD2-CG2 4.33Å
272L98Very high95.8Very high27 Ų2767.4 Ų67.414%0.14136%0.358CS..EExtended strand (participates in β ladder)trans-73.4128.4172.1179.664000109.7E279 I340 S341 A343L272-E279 HydrophobicContact CD1-CB 4.46Å; L272-E279 HydrophobicContact CD1-CG 4.06Å; L272-E279 HydrophobicContact CD2-CG 4.25Å; L272-E279 HydrophobicContact CG-CG 4.45Å; L272-I340 WeakPolarHBondContact O-CA 3.36Å; L272-S341 PolarHBondContact N-O 2.74Å; L272-S341 PolarHBondContact O-N 3.38Å; L272-S341 VanDerWaalsContact O-N 3.09Å; L272-A343 HydrophobicContact CB-CB 4.42Å
273I98Very high95.8Very high4 Ų464.2 Ų64.22%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-112.8124.6177.3-55.4-178.3000109.4V280 T281 V283 L288 L317 L338 E339I273-V280 PolarHBondContact O-N 3.33Å; I273-T281 PolarHBondContact N-O 3.34Å; I273-V283 HydrophobicContact CD1-CB 4.44Å; I273-V283 HydrophobicContact CD1-CG2 3.53Å; I273-V283 HydrophobicContact CG1-CG2 4.42Å; I273-L288 HydrophobicContact CD1-CD1 4.21Å; I273-L288 HydrophobicContact CD1-CD2 3.64Å; I273-L288 HydrophobicContact CG1-CD2 4.2Å; I273-L317 HydrophobicContact CD1-CD2 4Å; I273-L338 HydrophobicContact CG2-CD2 4.2Å; I273-E339 WeakPolarHBondContact CA-O 3.14Å
274K98.4Very high96Very high50 Ų5067.9 Ų67.922%0.21736%0.361CS..EExtended strand (participates in β ladder)trans-109.8142.5167-44-165.1-179.6-158.40110.5R278 E279 L338 E339K274-R278 CarbonylContact C-O 3.57Å; K274-R278 WeakPolarHBondContact CA-O 3.12Å; K274-R278 WeakPolarHBondContact CB-O 3.39Å; K274-E279 HydrophobicContact CD-CG 3.74Å; K274-E279 WeakPolarHBondContact CE-OE1 3.38Å; K274-E279 HydrophobicContact CG-CG 3.79Å; K274-E279 IonicContact NZ-OE1 3.86Å; K274-E279 PolarHBondContact NZ-OE1 2.91Å; K274-L338 WeakPolarHBondContact O-CA 3.38Å; K274-E339 HydrophobicContact CB-CB 3.96Å; K274-E339 HydrophobicContact CB-CG 4.15Å; K274-E339 HydrophobicContact CG-CB 4.39Å; K274-E339 PolarHBondContact N-O 3.36Å; K274-E339 PolarHBondContact O-N 3.46Å
275V98.1Very high96.1Very high36 Ų3659.5 Ų59.522%0.21832%0.317CS..EExtended strand (participates in β ladder)trans-119.1120.1173.5-177.70000107.6G277 R278 V280 I336 L338V275-G277 PolarHBondContact O-N 3.08Å; V275-R278 PolarHBondContact N-O 2.98Å; V275-R278 PolarHBondContact O-N 3.06Å; V275-V280 HydrophobicContact CB-CG2 3.85Å; V275-V280 HydrophobicContact CG2-CB 4.44Å; V275-V280 HydrophobicContact CG2-CG2 3.58Å; V275-I336 HydrophobicContact CG1-CB 4.15Å; V275-I336 HydrophobicContact CG1-CD1 4.34Å; V275-I336 HydrophobicContact CG1-CG2 4.23Å; V275-L338 HydrophobicContact CG2-CD2 3.86Å
276N96.9Very high96.3Very high101 Ų10160.2 Ų60.254%0.5432%0.319SS..THydrogen-bonded Turntrans49.944.9-177.3-59.8-22.7000112.3R278 K337N276-R278 VanDerWaalsContact C-N 3.28Å; N276-R278 PolarHBondContact O-N 3.31Å; N276-K337 PolarHBondContact N-O 3.46Å; N276-K337 PolarHBondContact OD1-N 3.32Å
277G96.4Very high96.5Very high44 Ų4454.7 Ų54.745%0.45428%0.283SS..THydrogen-bonded Turntrans78.3-4.4179.300000116V275V275-G277 PolarHBondContact O-N 3.08Å
278R98Very high96.8Very high203 Ų20349.8 Ų49.877%0.76626%0.261SS*.EExtended strand (participates in β ladder)trans-99.5129.5176.5-67.4-172-178.5-153.10.4111.3K274 V275 N276 V280K274-R278 CarbonylContact C-O 3.57Å; K274-R278 WeakPolarHBondContact CA-O 3.12Å; K274-R278 WeakPolarHBondContact CB-O 3.39Å; V275-R278 PolarHBondContact N-O 2.98Å; V275-R278 PolarHBondContact O-N 3.06Å; N276-R278 VanDerWaalsContact C-N 3.28Å; N276-R278 PolarHBondContact O-N 3.31Å; R278-V280 PolarHBondContact O-N 3.12Å
279E97.6Very high97Very high125 Ų12546.9 Ų46.958%0.58425%0.247SC*.EExtended strand (participates in β ladder)trans-61.9129.4171.2-72.8177-166.800110.3L272 K274L272-E279 HydrophobicContact CD1-CB 4.46Å; L272-E279 HydrophobicContact CD1-CG 4.06Å; L272-E279 HydrophobicContact CD2-CG 4.25Å; L272-E279 HydrophobicContact CG-CG 4.45Å; K274-E279 HydrophobicContact CD-CG 3.74Å; K274-E279 WeakPolarHBondContact CE-OE1 3.38Å; K274-E279 HydrophobicContact CG-CG 3.79Å; K274-E279 IonicContact NZ-OE1 3.86Å; K274-E279 PolarHBondContact NZ-OE1 2.91Å
280V96Very high97.1Very high95 Ų9546.9 Ų46.958%0.57625%0.247SC*.EExtended strand (participates in β ladder)trans-111.4-54.4-178175.30000110.6I273 V275 R278I273-V280 PolarHBondContact O-N 3.33Å; V275-V280 HydrophobicContact CB-CG2 3.85Å; V275-V280 HydrophobicContact CG2-CB 4.44Å; V275-V280 HydrophobicContact CG2-CG2 3.58Å; R278-V280 PolarHBondContact O-N 3.12Å
281T95.3Very high97.2Very high76 Ų7645.9 Ų45.947%0.46624%0.241SC..EExtended strand (participates in β ladder)trans-161.1168.4-178.9-166.50000110.3I273 V283I273-T281 PolarHBondContact N-O 3.34Å; T281-V283 HydrophobicContact CG2-CG2 4.42Å
282T95.7Very high97.2Very high55 Ų5545.9 Ų45.934%0.33724%0.241SC..EExtended strand (participates in β ladder)trans-103.5138.2161.7-71.10000109.2D270 L271 E284D270-T282 WeakPolarHBondContact OD1-CG2 3.19Å; L271-T282 CarbonylContact O-C 3.41Å; L271-T282 VanDerWaalsContact O-CA 3.27Å; L271-T282 WeakPolarHBondContact O-CA 3.48Å; T282-E284 HydrophobicContact CG2-CG 3.99Å
283V95.7Very high97.2Very high12 Ų1244.7 Ų44.77%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-102.3115.2169.6175.50000109.1L271 I273 T281 L288 P319L271-V283 PolarHBondContact N-O 2.99Å; L271-V283 PolarHBondContact O-N 3.13Å; I273-V283 HydrophobicContact CD1-CB 4.44Å; I273-V283 HydrophobicContact CD1-CG2 3.53Å; I273-V283 HydrophobicContact CG1-CG2 4.42Å; T281-V283 HydrophobicContact CG2-CG2 4.42Å; V283-L288 HydrophobicContact CG1-CD1 4.41Å; V283-L288 HydrophobicContact CG2-CD1 4.25Å; V283-P319 HydrophobicContact CG1-CB 4.12Å
284E95.9Very high97.2Very high90 Ų9044.6 Ų44.642%0.42124%0.235SC..EExtended strand (participates in β ladder)trans-102.1126.3173.6-62.9-177.6143.200109.9I268 C269 T282 S322 L323I268-E284 HydrophobicContact CD1-CB 4.11Å; C269-E284 VanDerWaalsContact O-CA 3.28Å; C269-E284 WeakPolarHBondContact O-CA 3.28Å; T282-E284 HydrophobicContact CG2-CG 3.99Å; E284-S322 CarbonylContact O-C 3.59Å; E284-S322 WeakPolarHBondContact O-CA 3.47Å; E284-S322 WeakPolarHBondContact O-CB 3.13Å; E284-S322 PolarHBondContact O-OG 2.87Å; E284-L323 PolarHBondContact O-N 3.41Å
285G95.6Very high97.1Very high1 Ų142.2 Ų42.21%0.0123%0.225CC..EExtended strand (participates in β ladder)trans165.2-157.7-177.200000114I268 C269 G287 N321I268-G285 WeakPolarHBondContact CB-O 3.36Å; C269-G285 WeakPolarHBondContact CB-O 3.47Å; C269-G285 PolarHBondContact N-O 3.16Å; C269-G285 PolarHBondContact O-N 3.17Å; C269-G285 VanDerWaalsContact O-N 3.11Å; G285-G287 VanDerWaalsContact C-N 3.32Å; G285-N321 WeakPolarHBondContact CA-O 3.33Å
286D96.8Very high97.1Very high42 Ų4240.5 Ų40.523%0.22521%0.214CC..SBendtrans-72.3-28.5173.7-79-24.9000112.1D261 R262 I320 N321D261-D286 VanDerWaalsContact CA-O 3.29Å; D261-D286 WeakPolarHBondContact CA-O 3.38Å; D261-D286 VanDerWaalsContact CB-O 3.29Å; D261-D286 WeakPolarHBondContact CB-O 3.44Å; R262-D286 IonicContact CZ-OD1 3.43Å; R262-D286 PolarHBondContact N-O 3.4Å; R262-D286 IonicContact NE-OD1 3.39Å; R262-D286 PolarHBondContact NE-OD1 3.33Å; R262-D286 IonicContact NH2-OD1 3.7Å; R262-D286 PolarHBondContact NH2-OD1 3.09Å; D286-I320 HydrophobicContact CB-CB 4.28Å; D286-I320 HydrophobicContact CB-CG2 3.87Å; D286-I320 PolarHBondContact N-O 2.84Å; D286-N321 HydrophobicContact CB-CB 4.15Å; D286-N321 WeakPolarHBondContact OD2-CB 3.48Å; D286-N321 PolarHBondContact OD2-ND2 2.89Å
287G97.2Very high97Very high1 Ų136.7 Ų36.71%0.0119%0.194CC..EExtended strand (participates in β ladder)trans168.3-162.4-177.800000114.8I260 G285 I320I260-G287 CarbonylContact O-C 3.38Å; I260-G287 WeakPolarHBondContact O-CA 3.48Å; G285-G287 VanDerWaalsContact C-N 3.32Å; G287-I320 PolarHBondContact N-O 3.06Å; G287-I320 PolarHBondContact O-N 2.88Å
288L98Very high97Very high1 Ų136 Ų361%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-146.9138.1-175.4-175.469.1000109.9I260 L271 I273 V283 I290 L317 I340I260-L288 PolarHBondContact N-O 2.81Å; I260-L288 PolarHBondContact O-N 3.39Å; L271-L288 HydrophobicContact CD1-CB 3.72Å; L271-L288 HydrophobicContact CD1-CD2 4.43Å; I273-L288 HydrophobicContact CD1-CD1 4.21Å; I273-L288 HydrophobicContact CD1-CD2 3.64Å; I273-L288 HydrophobicContact CG1-CD2 4.2Å; V283-L288 HydrophobicContact CG1-CD1 4.41Å; V283-L288 HydrophobicContact CG2-CD1 4.25Å; L288-I290 HydrophobicContact CD2-CD1 4.48Å; L288-L317 HydrophobicContact CD1-CD1 3.71Å; L288-L317 HydrophobicContact CD1-CG 3.95Å; L288-L317 HydrophobicContact CD2-CD1 4Å; L288-L317 HydrophobicContact CG-CD1 3.96Å; L288-I340 HydrophobicContact CD2-CG1 4.28Å; L288-I340 HydrophobicContact CD2-CG2 4.38Å
289I98.6Very high96.9Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-115.6131.2173.7-49.6171.1000108.3D257 L258 V259 Y299 A303 L317 T318 I320D257-I289 HydrophobicContact CB-CG2 3.75Å; L258-I289 CarbonylContact O-C 3.54Å; L258-I289 WeakPolarHBondContact O-CA 3.37Å; V259-I289 HydrophobicContact CG2-CG1 4.44Å; V259-I289 HydrophobicContact CG2-CG2 4.38Å; I289-Y299 HydrophobicContact CD1-CD1 3.49Å; I289-Y299 VanDerWaalsContact CD1-CD1 3.49Å; I289-Y299 HydrophobicContact CD1-CE1 3.9Å; I289-Y299 HydrophobicContact CD1-CG 3.86Å; I289-Y299 HydrophobicContact CG1-CD1 4.11Å; I289-Y299 HydrophobicContact CG1-CE1 4.39Å; I289-A303 HydrophobicContact CD1-CB 3.83Å; I289-L317 WeakPolarHBondContact O-CA 3.26Å; I289-T318 PolarHBondContact N-O 2.82Å; I289-T318 PolarHBondContact O-N 3.09Å; I289-I320 HydrophobicContact CD1-CD1 4.08Å; I289-I320 HydrophobicContact CD1-CG1 3.94Å; I289-I320 HydrophobicContact CG1-CD1 3.64Å; I289-I320 HydrophobicContact CG1-CG1 3.67Å
290I98.6Very high96.9Very high1 Ų125.4 Ų25.41%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-115.1109.9167.9-57.7143.2000106.2L197 D257 L258 L288 V316 L317 L338 I340 V373L197-I290 HydrophobicContact CD1-CG2 3.92Å; L197-I290 WeakPolarHBondContact CD1-O 3.48Å; D257-I290 WeakPolarHBondContact CA-O 3.47Å; L258-I290 HydrophobicContact CB-CB 4.46Å; L258-I290 HydrophobicContact CD2-CD1 3.82Å; L258-I290 HydrophobicContact CG-CD1 4.44Å; L258-I290 PolarHBondContact N-O 3.26Å; L258-I290 PolarHBondContact O-N 3.03Å; L288-I290 HydrophobicContact CD2-CD1 4.48Å; I290-V316 WeakPolarHBondContact CA-O 3.29Å; I290-L317 HydrophobicContact CD1-CD1 4.49Å; I290-L317 HydrophobicContact CG1-CD1 3.52Å; I290-L338 HydrophobicContact CD1-CD1 4.47Å; I290-L338 HydrophobicContact CG1-CD1 4.2Å; I290-L338 HydrophobicContact CG2-CD1 3.86Å; I290-I340 HydrophobicContact CD1-CD1 3.52Å; I290-I340 HydrophobicContact CD1-CG1 4.08Å; I290-V373 HydrophobicContact CD1-CG2 4.36Å; I290-V373 HydrophobicContact CG2-CG1 3.88Å
291S98.5Very high96.9Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-119.9155.6-174.665.90000112.6N256 S300 V316N256-S291 CarbonylContact O-C 3.58Å; N256-S291 WeakPolarHBondContact O-CA 3.36Å; N256-S291 WeakPolarHBondContact O-CB 3.33Å; S291-S300 WeakPolarHBondContact OG-CB 3.49Å; S291-S300 PolarHBondContact OG-OG 2.81Å; S291-V316 PolarHBondContact N-O 3.04Å; S291-V316 PolarHBondContact O-N 2.7Å; S291-V316 WeakPolarHBondContact OG-CB 3.4Å
292T98.3Very high96.9Very high0 Ų024.7 Ų24.70%013%0.132CC..  trans-77.917016570.20000109.7T195 L197 L255 N256 T294 G295 S296T195-T292 WeakPolarHBondContact O-CG2 3.19Å; L197-T292 HydrophobicContact CB-CG2 4.41Å; L197-T292 HydrophobicContact CD1-CG2 4.04Å; L197-T292 HydrophobicContact CG-CG2 3.74Å; L255-T292 WeakPolarHBondContact O-CB 2.9Å; L255-T292 WeakPolarHBondContact O-CG2 3.37Å; L255-T292 PolarHBondContact O-OG1 2.88Å; N256-T292 PolarHBondContact O-N 3.21Å; N256-T292 PolarHBondContact O-OG1 2.82Å; T292-T294 PolarHBondContact O-N 3.01Å; T292-T294 WeakPolarHBondContact OG1-CB 3.4Å; T292-T294 PolarHBondContact OG1-N 2.9Å; T292-G295 CarbonylContact O-C 3.54Å; T292-G295 WeakPolarHBondContact O-CA 3.47Å; T292-G295 PolarHBondContact O-N 2.81Å; T292-G295 PolarHBondContact OG1-N 2.91Å; T292-S296 PolarHBondContact O-N 3.46Å
293P97.9Very high96.9Very high2 Ų223.8 Ų23.81%0.01313%0.13CC..THydrogen-bonded Turntrans-58-32.4169.6-25.136.8000112.2S296 V308 H309 V312 A314P293-S296 VanDerWaalsContact O-CB 3.31Å; P293-S296 WeakPolarHBondContact O-CB 3.26Å; P293-S296 PolarHBondContact O-N 2.89Å; P293-S296 PolarHBondContact O-OG 2.78Å; P293-V308 HydrophobicContact CB-CB 4.06Å; P293-V308 HydrophobicContact CB-CG1 3.85Å; P293-V308 HydrophobicContact CG-CG1 4.29Å; P293-V308 VanDerWaalsContact O-O 3.14Å; P293-H309 WeakPolarHBondContact CB-O 3.3Å; P293-V312 WeakPolarHBondContact CG-O 3.37Å; P293-A314 WeakPolarHBondContact CD-O 3.23Å; P293-A314 WeakPolarHBondContact CG-O 3.26Å
294T97.1Very high96.8Very high2 Ų226.2 Ų26.21%0.01216%0.158CC..THydrogen-bonded Turntrans-64.9-43.3172.7-61.60000111.3L169 R194 L255 T292 S296 T297L169-T294 HydrophobicContact CD1-CG2 3.96Å; L169-T294 HydrophobicContact CD2-CG2 3.53Å; L169-T294 HydrophobicContact CG-CG2 4.43Å; R194-T294 PolarHBondContact NH1-OG1 2.88Å; L255-T294 HydrophobicContact CD2-CG2 4.31Å; L255-T294 HydrophobicContact CG-CG2 4.14Å; T292-T294 PolarHBondContact O-N 3.01Å; T292-T294 WeakPolarHBondContact OG1-CB 3.4Å; T292-T294 PolarHBondContact OG1-N 2.9Å; T294-S296 PolarHBondContact O-N 2.71Å; T294-T297 PolarHBondContact O-OG1 3.41Å
295G97.4Very high96.9Very high0 Ų022.4 Ų22.40%014%0.142CC..G310 helixtrans-72.7-10.3175.700000114.8T292 T297 A298T292-G295 CarbonylContact O-C 3.54Å; T292-G295 WeakPolarHBondContact O-CA 3.47Å; T292-G295 PolarHBondContact O-N 2.81Å; T292-G295 PolarHBondContact OG1-N 2.91Å; G295-T297 PolarHBondContact O-N 3.1Å; G295-A298 WeakPolarHBondContact O-CB 3.45Å; G295-A298 PolarHBondContact O-N 3.35Å
296S97.3Very high96.9Very high0 Ų026.7 Ų26.70%017%0.171CC..G310 helixtrans-63.3-22.6178.574.70000113.5T292 P293 T294 M301 V308T292-S296 PolarHBondContact O-N 3.46Å; P293-S296 VanDerWaalsContact O-CB 3.31Å; P293-S296 WeakPolarHBondContact O-CB 3.26Å; P293-S296 PolarHBondContact O-N 2.89Å; P293-S296 PolarHBondContact O-OG 2.78Å; T294-S296 PolarHBondContact O-N 2.71Å; S296-M301 VanDerWaalsContact O-CB 3.26Å; S296-M301 WeakPolarHBondContact O-CB 3.36Å; S296-M301 PolarHBondContact O-N 2.81Å; S296-V308 PolarHBondContact OG-N 3.24Å; S296-V308 PolarHBondContact OG-O 3.47Å
297T95.3Very high96.9Very high20 Ų2027.2 Ų27.212%0.12317%0.173CC..G310 helixtrans-94.52.8174.757.80000113.1F168 T294 G295 M307 L400F168-T297 HydrophobicContact CD1-CG2 4.24Å; F168-T297 WeakPolarHBondContact CD1-OG1 3.37Å; F168-T297 HydrophobicContact CE1-CG2 3.74Å; F168-T297 HydrophobicContact CE2-CG2 4.33Å; F168-T297 HydrophobicContact CZ-CG2 3.8Å; T294-T297 PolarHBondContact O-OG1 3.41Å; G295-T297 PolarHBondContact O-N 3.1Å; T297-M307 HydrophobicContact CG2-CB 4.12Å; T297-M307 HydrophobicContact CG2-CG 3.99Å; T297-M307 HydrophobicContact CG2-SD 4.38Å; T297-L400 HydrophobicContact CG2-CD1 4.45Å
298A95.3Very high96.9Very high29 Ų2928 Ų2824%0.2418%0.178CC..THydrogen-bonded Turntrans-101.1-128.6178.400000110.2G295 S300 M301G295-A298 WeakPolarHBondContact O-CB 3.45Å; G295-A298 PolarHBondContact O-N 3.35Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 3.14Å; A298-M301 WeakPolarHBondContact O-CB 3.33Å; A298-M301 PolarHBondContact O-N 2.86Å
299Y97.1Very high96.9Very high106 Ų10629.4 Ų29.442%0.41618%0.184SC..Hα-helixtrans-65.8-35-173.1-168.2-148.1000112.5V259 I289 M301 T302 A303 I320V259-Y299 HydrophobicContact CG1-CD1 4.16Å; V259-Y299 HydrophobicContact CG1-CE1 3.81Å; V259-Y299 HydrophobicContact CG2-CD1 3.68Å; V259-Y299 HydrophobicContact CG2-CE1 4.21Å; I289-Y299 HydrophobicContact CD1-CD1 3.49Å; I289-Y299 VanDerWaalsContact CD1-CD1 3.49Å; I289-Y299 HydrophobicContact CD1-CE1 3.9Å; I289-Y299 HydrophobicContact CD1-CG 3.86Å; I289-Y299 HydrophobicContact CG1-CD1 4.11Å; I289-Y299 HydrophobicContact CG1-CE1 4.39Å; Y299-M301 VanDerWaalsContact C-N 3.3Å; Y299-M301 PolarHBondContact O-N 3.28Å; Y299-T302 WeakPolarHBondContact CD2-OG1 3.35Å; Y299-T302 PolarHBondContact O-N 2.84Å; Y299-T302 PolarHBondContact O-OG1 2.57Å; Y299-A303 PolarHBondContact O-N 3.24Å; Y299-A303 VanDerWaalsContact O-N 3.08Å; Y299-I320 HydrophobicContact CE1-CD1 3.99Å
300S97.3Very high96.7Very high0 Ų029.6 Ų29.60%019%0.186CC..Hα-helixtrans-54.8-41174.4179.90000112.8S291 A298 T302 A303 G304 A305 T318S291-S300 WeakPolarHBondContact OG-CB 3.49Å; S291-S300 PolarHBondContact OG-OG 2.81Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 3.14Å; S300-T302 VanDerWaalsContact C-N 3.34Å; S300-T302 PolarHBondContact O-N 3.49Å; S300-A303 PolarHBondContact O-N 2.92Å; S300-G304 PolarHBondContact O-N 2.93Å; S300-A305 WeakPolarHBondContact O-CB 3.48Å; S300-A305 PolarHBondContact O-N 3.28Å; S300-A305 WeakPolarHBondContact OG-CB 3.28Å; S300-T318 PolarHBondContact OG-OG1 3.39Å
301M95.7Very high96.5Very high59 Ų5932.8 Ų32.829%0.29121%0.207SC..Hα-helixtrans-58.7-46174.7-170.4-177.26400111.6S296 A298 Y299 A303 G304 M307 L400S296-M301 VanDerWaalsContact O-CB 3.26Å; S296-M301 WeakPolarHBondContact O-CB 3.36Å; S296-M301 PolarHBondContact O-N 2.81Å; A298-M301 WeakPolarHBondContact O-CB 3.33Å; A298-M301 PolarHBondContact O-N 2.86Å; Y299-M301 VanDerWaalsContact C-N 3.3Å; Y299-M301 PolarHBondContact O-N 3.28Å; M301-A303 VanDerWaalsContact C-N 3.25Å; M301-A303 PolarHBondContact O-N 2.85Å; M301-G304 PolarHBondContact O-N 3.17Å; M301-M307 HydrophobicContact CG-CG 4.22Å; M301-M307 HydrophobicContact SD-CG 4.07Å; M301-M307 HydrophobicContact SD-SD 3.89Å; M301-L400 HydrophobicContact CE-CD2 4.09Å; M301-L400 HydrophobicContact SD-CD1 3.95Å; M301-L400 HydrophobicContact SD-CD2 4.36Å
302T95.2Very high96.4Very high98 Ų9835.6 Ų35.660%0.60122%0.224SC*.Hα-helixtrans-69-27.2-176.8700000112.4Y299 S300 G304Y299-T302 WeakPolarHBondContact CD2-OG1 3.35Å; Y299-T302 PolarHBondContact O-N 2.84Å; Y299-T302 PolarHBondContact O-OG1 2.57Å; S300-T302 VanDerWaalsContact C-N 3.34Å; S300-T302 PolarHBondContact O-N 3.49Å; T302-G304 PolarHBondContact O-N 2.86Å
303A96Very high96.3Very high35 Ų3539.9 Ų39.929%0.28925%0.252SS..THydrogen-bonded Turntrans-80.86.8171.200000113.2I289 Y299 S300 M301 T318I289-A303 HydrophobicContact CD1-CB 3.83Å; Y299-A303 PolarHBondContact O-N 3.24Å; Y299-A303 VanDerWaalsContact O-N 3.08Å; S300-A303 PolarHBondContact O-N 2.92Å; M301-A303 VanDerWaalsContact C-N 3.25Å; M301-A303 PolarHBondContact O-N 2.85Å; A303-T318 HydrophobicContact CB-CG2 3.62Å
304G94.5Very high96.2Very high63 Ų6340 Ų4065%0.64925%0.253SS*.THydrogen-bonded Turntrans93.611.3172.500000115.3S300 M301 T302S300-G304 PolarHBondContact O-N 2.93Å; M301-G304 PolarHBondContact O-N 3.17Å; T302-G304 PolarHBondContact O-N 2.86Å
305A96.6Very high96.2Very high10 Ų1039.9 Ų39.98%0.08325%0.252CS..PPolyproline II helixtrans-72.8157.9172.800000112.3S300 V316 T318 A329S300-A305 WeakPolarHBondContact O-CB 3.48Å; S300-A305 PolarHBondContact O-N 3.28Å; S300-A305 WeakPolarHBondContact OG-CB 3.28Å; A305-V316 HydrophobicContact CB-CG1 4.04Å; A305-T318 HydrophobicContact CB-CG2 3.94Å; A305-T318 WeakPolarHBondContact CB-OG1 3.48Å; A305-A329 HydrophobicContact CB-CB 3.81Å
306S96.9Very high96.3Very high91 Ų9140 Ų4064%0.63625%0.253SS*.PPolyproline II helixtrans-74.1148.4171.4-64.20000111.3
307M95.9Very high96.3Very high54 Ų5440.9 Ų40.927%0.26626%0.258SS..PPolyproline II helixtrans-76.1130.1170.5-60.8174.6-72.200109.7T297 M301 W392 L396 L400 W402T297-M307 HydrophobicContact CG2-CB 4.12Å; T297-M307 HydrophobicContact CG2-CG 3.99Å; T297-M307 HydrophobicContact CG2-SD 4.38Å; M301-M307 HydrophobicContact CG-CG 4.22Å; M301-M307 HydrophobicContact SD-CG 4.07Å; M301-M307 HydrophobicContact SD-SD 3.89Å; M307-W392 HydrophobicContact CB-CZ2 4.5Å; M307-L396 HydrophobicContact CE-CD2 4.1Å; M307-L396 HydrophobicContact SD-CD2 3.53Å; M307-L396 VanDerWaalsContact SD-CD2 3.53Å; M307-L400 HydrophobicContact SD-CD1 3.45Å; M307-L400 WeakPolarHBondContact SD-CD1 3.41Å; M307-W402 VanDerWaalsContact CE-CD1 3.49Å; M307-W402 HydrophobicContact CE-CG 4.29Å
308V97.4Very high96.4Very high17 Ų1740 Ų4010%0.10325%0.252CS..  trans-117.8132.1-174.6-172.70000109.1P293 S296 V312 V316P293-V308 HydrophobicContact CB-CB 4.06Å; P293-V308 HydrophobicContact CB-CG1 3.85Å; P293-V308 HydrophobicContact CG-CG1 4.29Å; P293-V308 VanDerWaalsContact O-O 3.14Å; S296-V308 PolarHBondContact OG-N 3.24Å; S296-V308 PolarHBondContact OG-O 3.47Å; V308-V312 HydrophobicContact CG1-CB 3.72Å; V308-V312 HydrophobicContact CG1-CG1 4Å; V308-V312 HydrophobicContact CG1-CG2 4.06Å; V308-V316 HydrophobicContact CG2-CG2 3.86Å
309H97Very high96.6Very high31 Ų3139.3 Ų39.314%0.14425%0.245CC..  trans-63.5138.1176.4-175.1-84000110.8P293 C311 V312 E388 W392P293-H309 WeakPolarHBondContact CB-O 3.3Å; H309-C311 PolarHBondContact CE1-SG 3.38Å; H309-C311 PolarHBondContact ND1-N 3.27Å; H309-C311 PolarHBondContact O-N 3.39Å; H309-C311 VanDerWaalsContact O-N 3.1Å; H309-V312 HydrophobicContact CB-CG2 4.13Å; H309-V312 WeakPolarHBondContact O-CB 3.48Å; H309-V312 WeakPolarHBondContact O-CG2 3.49Å; H309-V312 PolarHBondContact O-N 3.43Å; H309-E388 PolarHBondContact NE2-O 2.96Å; H309-W392 HydrophobicContact CB-CD2 4.37Å; H309-W392 HydrophobicContact CB-CH2 4.44Å; H309-W392 HydrophobicContact CB-CZ2 4.2Å; H309-W392 AromaticContact CD2-CD2 3.49Å; H309-W392 VanDerWaalsContact CD2-CD2 3.49Å; H309-W392 AromaticContact CD2-CE3 3.69Å; H309-W392 AromaticContact CD2-CG 3.52Å
310P95.7Very high96.6Very high4 Ų434.7 Ų34.73%0.02623%0.228CC..THydrogen-bonded Turntrans-58.8-27-173.220.7-33.9000115.3V192 V312V192-P310 HydrophobicContact CG2-CB 3.94Å; V192-P310 HydrophobicContact CG2-CG 3.98Å; P310-V312 VanDerWaalsContact C-N 3.31Å; P310-V312 PolarHBondContact O-N 3.34Å
311C94Very high96.4Very high67 Ų6740.4 Ų40.445%0.45326%0.258SS..THydrogen-bonded Turntrans-79.1-6.6177.4-56.50000114.5H309 P313H309-C311 PolarHBondContact CE1-SG 3.38Å; H309-C311 PolarHBondContact ND1-N 3.27Å; H309-C311 PolarHBondContact O-N 3.39Å; H309-C311 VanDerWaalsContact O-N 3.1Å; C311-P313 WeakPolarHBondContact O-CD 3.32Å
312V96.4Very high96.3Very high60 Ų6039 Ų3936%0.36426%0.255SS..SBendtrans-75120.9176.3178.50000108.4P293 V308 H309 P310 A314P293-V312 WeakPolarHBondContact CG-O 3.37Å; V308-V312 HydrophobicContact CG1-CB 3.72Å; V308-V312 HydrophobicContact CG1-CG1 4Å; V308-V312 HydrophobicContact CG1-CG2 4.06Å; H309-V312 HydrophobicContact CB-CG2 4.13Å; H309-V312 WeakPolarHBondContact O-CB 3.48Å; H309-V312 WeakPolarHBondContact O-CG2 3.49Å; H309-V312 PolarHBondContact O-N 3.43Å; P310-V312 VanDerWaalsContact C-N 3.31Å; P310-V312 PolarHBondContact O-N 3.34Å; V312-A314 VanDerWaalsContact C-N 3.27Å; V312-A314 HydrophobicContact CG1-CB 4.01Å; V312-A314 PolarHBondContact O-N 3.08Å
313P95.4Very high96.2Very high89 Ų8939.8 Ų39.858%0.57825%0.254SS*.  trans-77.677.7-177.632.4-35.6000110.8C311C311-P313 WeakPolarHBondContact O-CD 3.32Å
314A97.1Very high95.9Very high4 Ų440.6 Ų40.63%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-140166.3-176.400000113.8P293 V312 V331 L332P293-A314 WeakPolarHBondContact CD-O 3.23Å; P293-A314 WeakPolarHBondContact CG-O 3.26Å; V312-A314 VanDerWaalsContact C-N 3.27Å; V312-A314 HydrophobicContact CG1-CB 4.01Å; V312-A314 PolarHBondContact O-N 3.08Å; A314-V331 HydrophobicContact CB-CG1 3.46Å; A314-V331 VanDerWaalsContact CB-CG1 3.46Å; A314-L332 CarbonylContact C-O 3.57Å; A314-L332 WeakPolarHBondContact CA-O 3.46Å; A314-L332 WeakPolarHBondContact CB-O 3.3Å
315L97.6Very high95.3Very high1 Ų146.4 Ų46.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-117.3146.3164.3-54.8175.9000107.3L197 V331 L332 T334 I336L197-L315 HydrophobicContact CD2-CD1 4.29Å; L197-L315 HydrophobicContact CD2-CD2 3.35Å; L197-L315 HydrophobicContact CD2-CG 4.4Å; L197-L315 HydrophobicContact CG-CD2 4.18Å; L315-V331 WeakPolarHBondContact O-CA 3.14Å; L315-L332 HydrophobicContact CB-CB 4.45Å; L315-L332 PolarHBondContact N-O 3.35Å; L315-L332 PolarHBondContact O-N 3.03Å; L315-T334 HydrophobicContact CD2-CG2 4.45Å; L315-I336 HydrophobicContact CD1-CD1 4.43Å; L315-I336 HydrophobicContact CD1-CG1 3.98Å
316V98.3Very high94.8Very high3 Ų351 Ų512%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-114.7120.5176.9-172.60000108.7I290 S291 A305 V308 I330I290-V316 WeakPolarHBondContact CA-O 3.29Å; S291-V316 PolarHBondContact N-O 3.04Å; S291-V316 PolarHBondContact O-N 2.7Å; S291-V316 WeakPolarHBondContact OG-CB 3.4Å; A305-V316 HydrophobicContact CB-CG1 4.04Å; V308-V316 HydrophobicContact CG2-CG2 3.86Å; V316-I330 WeakPolarHBondContact CA-O 3.37Å
317L97.9Very high94.1Very high18 Ų1848.6 Ų48.69%0.09429%0.291CS..EExtended strand (participates in β ladder)trans-101.3114.7176.2-173.174.6000108.3I273 L288 I289 I290 A329 I330 L332 L338I273-L317 HydrophobicContact CD1-CD2 4Å; L288-L317 HydrophobicContact CD1-CD1 3.71Å; L288-L317 HydrophobicContact CD1-CG 3.95Å; L288-L317 HydrophobicContact CD2-CD1 4Å; L288-L317 HydrophobicContact CG-CD1 3.96Å; I289-L317 WeakPolarHBondContact O-CA 3.26Å; I290-L317 HydrophobicContact CD1-CD1 4.49Å; I290-L317 HydrophobicContact CG1-CD1 3.52Å; L317-A329 CarbonylContact O-C 3.54Å; L317-A329 VanDerWaalsContact O-CA 3.26Å; L317-A329 WeakPolarHBondContact O-CA 3.38Å; L317-I330 HydrophobicContact CB-CD1 4.46Å; L317-I330 HydrophobicContact CB-CG1 3.78Å; L317-I330 HydrophobicContact CD2-CD1 3.93Å; L317-I330 HydrophobicContact CD2-CG1 4.11Å; L317-I330 HydrophobicContact CG-CG1 4.48Å; L317-I330 PolarHBondContact N-O 2.86Å; L317-I330 PolarHBondContact O-N 3.24Å; L317-L332 HydrophobicContact CB-CD1 4.07Å; L317-L332 HydrophobicContact CD2-CD1 4.39Å; L317-L338 HydrophobicContact CD1-CD1 4.47Å
318T98.1Very high94Very high1 Ų155.9 Ų55.91%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-122.8113.5-173.8-45.70000110.2I289 S300 A303 A305 A329I289-T318 PolarHBondContact N-O 2.82Å; I289-T318 PolarHBondContact O-N 3.09Å; S300-T318 PolarHBondContact OG-OG1 3.39Å; A303-T318 HydrophobicContact CB-CG2 3.62Å; A305-T318 HydrophobicContact CB-CG2 3.94Å; A305-T318 WeakPolarHBondContact CB-OG1 3.48Å; T318-A329 HydrophobicContact CG2-CB 4.07Å
319P97.6Very high94Very high15 Ų1556.9 Ų56.910%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-67.6144171.627.8-32.2000110.8V283 S327V283-P319 HydrophobicContact CG1-CB 4.12Å; P319-S327 WeakPolarHBondContact CB-OG 3.22Å; P319-S327 WeakPolarHBondContact CG-OG 3.32Å
320I97.3Very high93.9Very high9 Ų959.2 Ų59.25%0.04634%0.338CS..EExtended strand (participates in β ladder)trans-101.4115.1172.9-49.5175.4000108V259 D286 G287 I289 Y299 S322V259-I320 HydrophobicContact CG1-CD1 4.04Å; D286-I320 HydrophobicContact CB-CB 4.28Å; D286-I320 HydrophobicContact CB-CG2 3.87Å; D286-I320 PolarHBondContact N-O 2.84Å; G287-I320 PolarHBondContact N-O 3.06Å; G287-I320 PolarHBondContact O-N 2.88Å; I289-I320 HydrophobicContact CD1-CD1 4.08Å; I289-I320 HydrophobicContact CD1-CG1 3.94Å; I289-I320 HydrophobicContact CG1-CD1 3.64Å; I289-I320 HydrophobicContact CG1-CG1 3.67Å; Y299-I320 HydrophobicContact CE1-CD1 3.99Å; I320-S322 VanDerWaalsContact C-N 3.33Å; I320-S322 PolarHBondContact O-N 2.84Å
321N94.6Very high94Very high119 Ų11963.2 Ų63.264%0.63636%0.362SS*.SBendtrans43.755177.2-61.1-28.6000113.1G285 D286G285-N321 WeakPolarHBondContact CA-O 3.33Å; D286-N321 HydrophobicContact CB-CB 4.15Å; D286-N321 WeakPolarHBondContact OD2-CB 3.48Å; D286-N321 PolarHBondContact OD2-ND2 2.89Å
322S93.4Very high94.2Very high31 Ų3161.5 Ų61.522%0.21735%0.348CS..  trans-72.3146.4-177.7-178.50000112.4E284 I320 A324 S327E284-S322 CarbonylContact O-C 3.59Å; E284-S322 WeakPolarHBondContact O-CA 3.47Å; E284-S322 WeakPolarHBondContact O-CB 3.13Å; E284-S322 PolarHBondContact O-OG 2.87Å; I320-S322 VanDerWaalsContact C-N 3.33Å; I320-S322 PolarHBondContact O-N 2.84Å; S322-A324 VanDerWaalsContact C-N 3.29Å; S322-A324 PolarHBondContact O-N 3.18Å; S322-A324 PolarHBondContact OG-N 2.96Å; S322-S327 VanDerWaalsContact CB-OG 3.23Å; S322-S327 WeakPolarHBondContact CB-OG 3.32Å; S322-S327 WeakPolarHBondContact OG-CB 3.43Å; S322-S327 PolarHBondContact OG-OG 2.79Å; S322-S327 VanDerWaalsContact OG-OG 3.07Å
323L92.1Very high94.3Very high114 Ų11462 Ų6260%0.59735%0.352SS*.SBendtrans-74.9-17.7177.1-64-177.6000113.5I268 E284I268-L323 HydrophobicContact CD1-CD1 3.45Å; I268-L323 VanDerWaalsContact CD1-CD1 3.45Å; I268-L323 HydrophobicContact CD1-CG 4.49Å; E284-L323 PolarHBondContact O-N 3.41Å
324A90.1Very high94.3Very high52 Ų5259.7 Ų59.743%0.4334%0.337SS..  trans-85127.3-179.300000111.7S322 S326 S327S322-A324 VanDerWaalsContact C-N 3.29Å; S322-A324 PolarHBondContact O-N 3.18Å; S322-A324 PolarHBondContact OG-N 2.96Å; A324-S326 PolarHBondContact O-N 3.03Å; A324-S327 WeakPolarHBondContact O-CB 3.44Å; A324-S327 PolarHBondContact O-N 3.07Å
325L82.5Confident94.3Very high185 Ų18564.2 Ų64.297%0.96937%0.368SS*.THydrogen-bonded Turntrans-61.4-26.1-179.5-68170.8000113.9
326S85.2Confident94.2Very high105 Ų10564.8 Ų64.873%0.73437%0.371SS*.THydrogen-bonded Turntrans-934.7178.856.90000113.5A324 R328A324-S326 PolarHBondContact O-N 3.03Å; S326-R328 PolarHBondContact O-N 2.86Å
327S83.7Confident94.2Very high41 Ų4171.3 Ų71.329%0.28740%0.399SS..  trans-77.385.5-175.8-157.40000110.8P319 S322 A324P319-S327 WeakPolarHBondContact CB-OG 3.22Å; P319-S327 WeakPolarHBondContact CG-OG 3.32Å; S322-S327 VanDerWaalsContact CB-OG 3.23Å; S322-S327 WeakPolarHBondContact CB-OG 3.32Å; S322-S327 WeakPolarHBondContact OG-CB 3.43Å; S322-S327 PolarHBondContact OG-OG 2.79Å; S322-S327 VanDerWaalsContact OG-OG 3.07Å; A324-S327 WeakPolarHBondContact O-CB 3.44Å; A324-S327 PolarHBondContact O-N 3.07Å
328R93Very high94.2Very high208 Ų20870.5 Ų70.579%0.78540%0.395SS*.  trans-100.1152.4175.9-65.1-172.5179.3-146.7-0110.4S326 I330S326-R328 PolarHBondContact O-N 2.86Å; R328-I330 PolarHBondContact O-N 2.87Å
329A96.3Very high94.2Very high37 Ų3773.1 Ų73.131%0.30641%0.407SS..  trans-58.5138165.700000110A305 L317 T318A305-A329 HydrophobicContact CB-CB 3.81Å; L317-A329 CarbonylContact O-C 3.54Å; L317-A329 VanDerWaalsContact O-CA 3.26Å; L317-A329 WeakPolarHBondContact O-CA 3.38Å; T318-A329 HydrophobicContact CG2-CB 4.07Å
330I96.6Very high94.3Very high81 Ų8172.4 Ų72.442%0.41540%0.402SS..EExtended strand (participates in β ladder)trans-125149.2178.962.7176.4000110.9V316 L317 R328 L332V316-I330 WeakPolarHBondContact CA-O 3.37Å; L317-I330 HydrophobicContact CB-CD1 4.46Å; L317-I330 HydrophobicContact CB-CG1 3.78Å; L317-I330 HydrophobicContact CD2-CD1 3.93Å; L317-I330 HydrophobicContact CD2-CG1 4.11Å; L317-I330 HydrophobicContact CG-CG1 4.48Å; L317-I330 PolarHBondContact N-O 2.86Å; L317-I330 PolarHBondContact O-N 3.24Å; R328-I330 PolarHBondContact O-N 2.87Å; I330-L332 HydrophobicContact CD1-CD1 4.22Å; I330-L332 HydrophobicContact CD1-CD2 3.94Å; I330-L332 HydrophobicContact CD1-CG 4.23Å; I330-L332 HydrophobicContact CG1-CD1 4.4Å; I330-L332 HydrophobicContact CG1-CD2 4.37Å; I330-L332 HydrophobicContact CG1-CG 4.24Å
331V97.9Very high94.3Very high87 Ų8772.9 Ų72.953%0.52741%0.407SS..EExtended strand (participates in β ladder)trans-104.3128.3176.3-176.30000108.1A314 L315A314-V331 HydrophobicContact CB-CG1 3.46Å; A314-V331 VanDerWaalsContact CB-CG1 3.46Å; L315-V331 WeakPolarHBondContact O-CA 3.14Å
332L97.6Very high94.5Very high32 Ų3267.5 Ų67.517%0.16838%0.378CS..EExtended strand (participates in β ladder)trans-122.1149.2-174.3-62.3171.9000110.1A314 L315 L317 I330 I336 L338A314-L332 CarbonylContact C-O 3.57Å; A314-L332 WeakPolarHBondContact CA-O 3.46Å; A314-L332 WeakPolarHBondContact CB-O 3.3Å; L315-L332 HydrophobicContact CB-CB 4.45Å; L315-L332 PolarHBondContact N-O 3.35Å; L315-L332 PolarHBondContact O-N 3.03Å; L317-L332 HydrophobicContact CB-CD1 4.07Å; L317-L332 HydrophobicContact CD2-CD1 4.39Å; I330-L332 HydrophobicContact CD1-CD1 4.22Å; I330-L332 HydrophobicContact CD1-CD2 3.94Å; I330-L332 HydrophobicContact CD1-CG 4.23Å; I330-L332 HydrophobicContact CG1-CD1 4.4Å; I330-L332 HydrophobicContact CG1-CD2 4.37Å; I330-L332 HydrophobicContact CG1-CG 4.24Å; L332-I336 HydrophobicContact CB-CD1 3.64Å; L332-I336 HydrophobicContact CD1-CD1 3.51Å; L332-I336 HydrophobicContact CG-CD1 4.06Å; L332-L338 HydrophobicContact CD1-CD2 4.35Å
333P97.5Very high94.7Very high69 Ų6966.5 Ų66.545%0.44837%0.371SS..EExtended strand (participates in β ladder)trans-72.2150177.927.4-29.5000111.3S335 I336P333-S335 PolarHBondContact O-N 3.05Å; P333-S335 VanDerWaalsContact O-N 3.09Å; P333-I336 HydrophobicContact CG-CG2 3.93Å; P333-I336 WeakPolarHBondContact O-CG1 3.3Å; P333-I336 PolarHBondContact O-N 2.83Å
334T96.4Very high94.8Very high41 Ų4166 Ų6625%0.25238%0.377SS..THydrogen-bonded Turntrans-64.4-13.4-179.947.30000114.9L315 I336 A375L315-T334 HydrophobicContact CD2-CG2 4.45Å; T334-I336 VanDerWaalsContact C-N 3.26Å; T334-I336 PolarHBondContact O-N 2.78Å; T334-A375 HydrophobicContact CG2-CB 3.95Å
335S96.1Very high95Very high100 Ų10072.4 Ų72.470%0.69940%0.396SS*.THydrogen-bonded Turntrans-74.9-10.4179.260.60000114.2P333P333-S335 PolarHBondContact O-N 3.05Å; P333-S335 VanDerWaalsContact O-N 3.09Å
336I96.8Very high95.6Very high12 Ų1263.9 Ų63.96%0.06235%0.352CS..  trans-80.2156.1-179.173168000112.1V275 L315 L332 P333 T334 L338V275-I336 HydrophobicContact CG1-CB 4.15Å; V275-I336 HydrophobicContact CG1-CD1 4.34Å; V275-I336 HydrophobicContact CG1-CG2 4.23Å; L315-I336 HydrophobicContact CD1-CD1 4.43Å; L315-I336 HydrophobicContact CD1-CG1 3.98Å; L332-I336 HydrophobicContact CB-CD1 3.64Å; L332-I336 HydrophobicContact CD1-CD1 3.51Å; L332-I336 HydrophobicContact CG-CD1 4.06Å; P333-I336 HydrophobicContact CG-CG2 3.93Å; P333-I336 WeakPolarHBondContact O-CG1 3.3Å; P333-I336 PolarHBondContact O-N 2.83Å; T334-I336 VanDerWaalsContact C-N 3.26Å; T334-I336 PolarHBondContact O-N 2.78Å; I336-L338 HydrophobicContact CD1-CD1 4.3Å; I336-L338 HydrophobicContact CD1-CD2 3.72Å; I336-L338 HydrophobicContact CD1-CG 3.79Å; I336-L338 HydrophobicContact CG1-CG 4.42Å
337K98Very high96Very high140 Ų14068.8 Ų68.861%0.60935%0.354SS*.EExtended strand (participates in β ladder)trans-113.6126.7162.9-61.6-175.9179.7-176.40108.8N276N276-K337 PolarHBondContact N-O 3.46Å; N276-K337 PolarHBondContact OD1-N 3.32Å
338L98.5Very high96.4Very high1 Ų167.1 Ų67.11%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-97.3137.7175.1-68.6171.6000109.5I273 K274 V275 I290 L317 L332 I336 I340 L372 V373I273-L338 HydrophobicContact CG2-CD2 4.2Å; K274-L338 WeakPolarHBondContact O-CA 3.38Å; V275-L338 HydrophobicContact CG2-CD2 3.86Å; I290-L338 HydrophobicContact CD1-CD1 4.47Å; I290-L338 HydrophobicContact CG1-CD1 4.2Å; I290-L338 HydrophobicContact CG2-CD1 3.86Å; L317-L338 HydrophobicContact CD1-CD1 4.47Å; L332-L338 HydrophobicContact CD1-CD2 4.35Å; I336-L338 HydrophobicContact CD1-CD1 4.3Å; I336-L338 HydrophobicContact CD1-CD2 3.72Å; I336-L338 HydrophobicContact CD1-CG 3.79Å; I336-L338 HydrophobicContact CG1-CG 4.42Å; L338-I340 HydrophobicContact CB-CD1 3.86Å; L338-L372 CarbonylContact O-C 3.55Å; L338-L372 WeakPolarHBondContact O-CA 3.26Å; L338-V373 HydrophobicContact CB-CB 4.3Å; L338-V373 PolarHBondContact N-O 2.82Å; L338-V373 PolarHBondContact O-N 3.05Å
339E98.4Very high96.4Very high56 Ų5661 Ų6126%0.26233%0.331SS..EExtended strand (participates in β ladder)trans-119.8128.5167.4-37.1-174.9164.800108.2I273 K274 V370 I371 L372I273-E339 WeakPolarHBondContact CA-O 3.14Å; K274-E339 HydrophobicContact CB-CB 3.96Å; K274-E339 HydrophobicContact CB-CG 4.15Å; K274-E339 HydrophobicContact CG-CB 4.39Å; K274-E339 PolarHBondContact N-O 3.36Å; K274-E339 PolarHBondContact O-N 3.46Å; E339-V370 HydrophobicContact CB-CG1 4.12Å; E339-I371 CarbonylContact C-O 3.53Å; E339-I371 VanDerWaalsContact CA-O 3.32Å; E339-I371 WeakPolarHBondContact CA-O 3.2Å; E339-L372 HydrophobicContact CB-CD2 3.89Å; E339-L372 HydrophobicContact CG-CD2 3.54Å
340I98.5Very high96.4Very high0 Ų061 Ų610%033%0.328CS..EExtended strand (participates in β ladder)trans-125.3129.7-179-54.587.9000108.7I260 L271 L272 L288 I290 L338 I371 V373I260-I340 HydrophobicContact CD1-CB 4.02Å; I260-I340 HydrophobicContact CD1-CG1 4.37Å; I260-I340 HydrophobicContact CD1-CG2 3.63Å; L271-I340 HydrophobicContact CB-CG2 4.22Å; L271-I340 HydrophobicContact CD2-CG2 4.49Å; L272-I340 WeakPolarHBondContact O-CA 3.36Å; L288-I340 HydrophobicContact CD2-CG1 4.28Å; L288-I340 HydrophobicContact CD2-CG2 4.38Å; I290-I340 HydrophobicContact CD1-CD1 3.52Å; I290-I340 HydrophobicContact CD1-CG1 4.08Å; L338-I340 HydrophobicContact CB-CD1 3.86Å; I340-I371 HydrophobicContact CB-CB 4.44Å; I340-I371 HydrophobicContact CD1-CG2 4.43Å; I340-I371 PolarHBondContact N-O 2.74Å; I340-I371 PolarHBondContact O-N 3.25Å; I340-V373 HydrophobicContact CD1-CG2 4.35Å
341S98.1Very high96.4Very high19 Ų1957.2 Ų57.213%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-144.2161.317561.30000111L271 L272 A343 D369L271-S341 CarbonylContact C-O 3.59Å; L271-S341 WeakPolarHBondContact CA-O 3.32Å; L272-S341 PolarHBondContact N-O 2.74Å; L272-S341 PolarHBondContact O-N 3.38Å; L272-S341 VanDerWaalsContact O-N 3.09Å; S341-A343 PolarHBondContact O-N 2.9Å; S341-D369 WeakPolarHBondContact CB-O 3.23Å
342I98.1Very high96.4Very high6 Ų655.1 Ų55.13%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-71.3127.4170.3-60.4175.8000107.9L271 A346 V351 L365 K367L271-I342 HydrophobicContact CD2-CG1 4.45Å; I342-A346 HydrophobicContact CG2-CB 3.45Å; I342-A346 VanDerWaalsContact CG2-CB 3.45Å; I342-V351 HydrophobicContact CD1-CB 4.43Å; I342-V351 HydrophobicContact CD1-CG1 3.95Å; I342-V351 HydrophobicContact CD1-CG2 4.02Å; I342-V351 HydrophobicContact CG1-CG1 4.13Å; I342-V351 HydrophobicContact CG1-CG2 4.05Å; I342-L365 WeakPolarHBondContact CD1-O 3.43Å; I342-K367 HydrophobicContact CB-CG 4.48Å; I342-K367 HydrophobicContact CG2-CG 4.27Å
343A97.4Very high96.4Very high10 Ų1053.7 Ų53.78%0.08329%0.285CS..  trans-61.3148.7-178.800000111.9D270 L272 S341 K345 A346 K367D270-A343 PolarHBondContact O-N 3.22Å; D270-A343 WeakPolarHBondContact OD1-CB 3.19Å; L272-A343 HydrophobicContact CB-CB 4.42Å; S341-A343 PolarHBondContact O-N 2.9Å; A343-K345 PolarHBondContact O-N 3.43Å; A343-K345 VanDerWaalsContact O-N 3.12Å; A343-A346 HydrophobicContact CB-CB 4.43Å; A343-A346 WeakPolarHBondContact O-CB 3.44Å; A343-A346 PolarHBondContact O-N 2.88Å; A343-K367 VanDerWaalsContact O-CE 3.22Å; A343-K367 WeakPolarHBondContact O-CE 3.37Å
344S94.1Very high96.4Very high103 Ų10350.8 Ų50.872%0.7227%0.266SS*.THydrogen-bonded Turntrans-61.1-25.6-178.159.10000113.5K367S344-K367 VanDerWaalsContact C-CE 3.5Å; S344-K367 WeakPolarHBondContact O-CE 3.06Å; S344-K367 PolarHBondContact O-NZ 2.97Å
345K93.9Very high96.4Very high188 Ų18849.7 Ų49.782%0.81726%0.258SS*.THydrogen-bonded Turntrans-95.3-4.3178-62.4-178.9-177176.10113.9A343 R347A343-K345 PolarHBondContact O-N 3.43Å; A343-K345 VanDerWaalsContact O-N 3.12Å; K345-R347 PolarHBondContact O-N 2.96Å
346A94.8Very high96.4Very high6 Ų645.8 Ų45.85%0.0523%0.229CC..  trans-57.1137.8178.900000111.2D270 I342 A343 K367D270-A346 HydrophobicContact CB-CB 3.63Å; D270-A346 VanDerWaalsContact OD2-CA 3.3Å; D270-A346 WeakPolarHBondContact OD2-CA 3.44Å; D270-A346 PolarHBondContact OD2-N 2.85Å; I342-A346 HydrophobicContact CG2-CB 3.45Å; I342-A346 VanDerWaalsContact CG2-CB 3.45Å; A343-A346 HydrophobicContact CB-CB 4.43Å; A343-A346 WeakPolarHBondContact O-CB 3.44Å; A343-A346 PolarHBondContact O-N 2.88Å; A346-K367 PolarHBondContact O-NZ 2.75Å
347R94.5Very high96.3Very high208 Ų20848 Ų4879%0.78526%0.256SS*.SBendtrans-71.6-33.1172.2-69.1-173176106.9-2.2112.1F267 K345F267-R347 HydrophobicContact CB-CB 4.34Å; F267-R347 HydrophobicContact CD1-CB 4.07Å; F267-R347 HydrophobicContact CG-CB 4.07Å; K345-R347 PolarHBondContact O-N 2.96Å
348C92.5Very high96.1Very high5 Ų545.7 Ų45.73%0.03424%0.243CC..  trans-72.2139.7173.562.30000110.2F267F267-C348 HydrophobicContact CB-CB 4.45Å
349S93.3Very high95.5Very high79 Ų7949 Ų4955%0.55227%0.266SS*.SBendtrans-97.7-16.5173.652.60000112.5H366 K367S349-H366 CarbonylContact O-C 3.57Å; S349-H366 WeakPolarHBondContact O-CA 3.39Å; S349-K367 PolarHBondContact O-N 3.21Å
350T95.9Very high95.1Very high38 Ų3849.8 Ų49.823%0.23327%0.267CS..EExtended strand (participates in β ladder)trans-147.7145-174.3-460000110L364 L365 H366T350-L364 HydrophobicContact CG2-CB 3.98Å; T350-L364 HydrophobicContact CG2-CD2 3.84Å; T350-L364 HydrophobicContact CG2-CG 4.34Å; T350-L365 CarbonylContact C-O 3.57Å; T350-L365 VanDerWaalsContact CA-O 3.31Å; T350-L365 WeakPolarHBondContact CA-O 3.35Å; T350-L365 WeakPolarHBondContact CG2-O 3.16Å; T350-H366 PolarHBondContact OG1-ND1 3.24Å; T350-H366 VanDerWaalsContact OG1-ND1 3.09Å
351V97.1Very high94.4Very high1 Ų157.8 Ų57.81%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-131.8158169-59.80000109.3I260 D261 C269 L271 I342 L365I260-V351 HydrophobicContact CG2-CB 4.25Å; I260-V351 HydrophobicContact CG2-CG2 3.56Å; D261-V351 WeakPolarHBondContact O-CB 3.25Å; C269-V351 VanDerWaalsContact SG-CG1 3.57Å; L271-V351 HydrophobicContact CD2-CG1 4.4Å; L271-V351 HydrophobicContact CD2-CG2 4.33Å; I342-V351 HydrophobicContact CD1-CB 4.43Å; I342-V351 HydrophobicContact CD1-CG1 3.95Å; I342-V351 HydrophobicContact CD1-CG2 4.02Å; I342-V351 HydrophobicContact CG1-CG1 4.13Å; I342-V351 HydrophobicContact CG1-CG2 4.05Å; V351-L365 HydrophobicContact CG2-CB 3.78Å; V351-L365 HydrophobicContact CG2-CD2 4.1Å; V351-L365 HydrophobicContact CG2-CG 4.45Å; V351-L365 PolarHBondContact N-O 2.83Å; V351-L365 PolarHBondContact O-N 3.1Å
352H97.4Very high94Very high44 Ų4461.1 Ų61.120%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-88.7153.9171.8-73.4-96.5000110.2I260 D261 R360 N363 L364I260-H352 CarbonylContact C-O 3.58Å; I260-H352 VanDerWaalsContact CA-O 3.31Å; I260-H352 WeakPolarHBondContact CA-O 3.32Å; D261-H352 PolarHBondContact N-O 3.02Å; D261-H352 PolarHBondContact O-N 3.2Å; H352-R360 HydrophobicContact CB-CG 4.05Å; H352-R360 PolarHBondContact ND1-O 2.82Å; H352-N363 WeakPolarHBondContact CA-O 3.49Å; H352-L364 WeakPolarHBondContact CE1-CD2 3.4Å
353F97.6Very high93.8Very high2 Ų262 Ų621%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-136.1157.1164.269-85.5000112.1V201 L258 V259 I260 F355 R360 N363 L365 I371V201-F353 HydrophobicContact CG2-CE1 4.45Å; V201-F353 HydrophobicContact CG2-CE2 4.11Å; V201-F353 HydrophobicContact CG2-CZ 3.76Å; L258-F353 HydrophobicContact CD1-CB 3.98Å; L258-F353 HydrophobicContact CD1-CD2 4.07Å; L258-F353 HydrophobicContact CD1-CG 4.47Å; V259-F353 CarbonylContact O-C 3.51Å; V259-F353 WeakPolarHBondContact O-CA 3.47Å; I260-F353 HydrophobicContact CG1-CB 4.03Å; F353-F355 HydrophobicContact CD2-CE1 4.34Å; F353-F355 HydrophobicContact CD2-CE2 4.16Å; F353-F355 AromaticContact CD2-CZ 3.88Å; F353-F355 HydrophobicContact CD2-CZ 3.88Å; F353-F355 HydrophobicContact CE2-CE1 4.45Å; F353-F355 AromaticContact CE2-CE2 3.69Å; F353-F355 HydrophobicContact CE2-CE2 3.69Å; F353-F355 AromaticContact CE2-CZ 3.57Å; F353-F355 HydrophobicContact CE2-CZ 3.57Å; F353-R360 WeakPolarHBondContact O-CA 3.39Å; F353-N363 HydrophobicContact CD1-CB 3.95Å; F353-N363 WeakPolarHBondContact CD1-O 3.43Å; F353-N363 HydrophobicContact CD2-CB 3.88Å; F353-N363 HydrophobicContact CE1-CB 3.73Å; F353-N363 HydrophobicContact CE2-CB 3.64Å; F353-N363 WeakPolarHBondContact CE2-ND2 3.14Å; F353-N363 HydrophobicContact CG-CB 4.02Å; F353-N363 HydrophobicContact CZ-CB 3.56Å; F353-N363 PolarHBondContact N-O 2.85Å; F353-N363 WeakPolarHBondContact O-CB 3.42Å; F353-L365 HydrophobicContact CD1-CB 4.08Å; F353-L365 HydrophobicContact CE1-CB 4.45Å; F353-I371 HydrophobicContact CB-CD1 4.08Å; F353-I371 HydrophobicContact CD1-CD1 4.07Å; F353-I371 HydrophobicContact CD2-CD1 4.33Å; F353-I371 HydrophobicContact CG-CD1 3.91Å
354S97.2Very high93.7Very high7 Ų764.2 Ų64.25%0.04934%0.342CS..EExtended strand (participates in β ladder)trans-146.3152.417963.80000111.7L258 V259 R358L258-S354 WeakPolarHBondContact CA-O 3.2Å; L258-S354 WeakPolarHBondContact CD1-O 3.5Å; V259-S354 PolarHBondContact N-O 2.84Å; V259-S354 PolarHBondContact O-N 2.86Å; S354-R358 WeakPolarHBondContact CA-O 3.32Å; S354-R358 VanDerWaalsContact CB-O 3.25Å; S354-R358 WeakPolarHBondContact CB-O 3.41Å
355F96.7Very high93.7Very high18 Ų1859.3 Ų59.38%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-112.5123.6175.9-55-63.7000108.8C199 Y252 F254 L258 F353 G357 R358C199-F355 HydrophobicContact CB-CD1 4.43Å; C199-F355 HydrophobicContact CB-CE1 3.41Å; C199-F355 VanDerWaalsContact CB-CE1 3.41Å; C199-F355 HydrophobicContact CB-CZ 3.84Å; C199-F355 VanDerWaalsContact SG-CE1 3.57Å; Y252-F355 HydrophobicContact CD1-CB 3.94Å; Y252-F355 HydrophobicContact CD1-CD1 4.15Å; Y252-F355 AromaticContact CD1-CD2 3.47Å; Y252-F355 HydrophobicContact CD1-CD2 3.47Å; Y252-F355 VanDerWaalsContact CD1-CD2 3.47Å; Y252-F355 AromaticContact CD1-CE2 3.93Å; Y252-F355 HydrophobicContact CD1-CE2 3.93Å; Y252-F355 AromaticContact CD1-CG 3.59Å; Y252-F355 HydrophobicContact CD1-CG 3.59Å; Y252-F355 HydrophobicContact CD1-CZ 4.44Å; Y252-F355 HydrophobicContact CE1-CB 3.68Å; Y252-F355 AromaticContact CE1-CD2 3.79Å; Y252-F355 HydrophobicContact CE1-CD2 3.79Å; Y252-F355 AromaticContact CE1-CG 3.84Å; Y252-F355 HydrophobicContact CE1-CG 3.84Å; Y252-F355 HydrophobicContact CG-CD2 4.14Å; Y252-F355 HydrophobicContact CG-CE2 4.2Å; F254-F355 HydrophobicContact CB-CB 4.01Å; F254-F355 HydrophobicContact CD1-CB 4.38Å; F254-F355 AromaticContact CD1-CD1 3.51Å; F254-F355 HydrophobicContact CD1-CD1 3.51Å; F254-F355 HydrophobicContact CD1-CE1 4.09Å; F254-F355 HydrophobicContact CD1-CG 4.19Å; F254-F355 HydrophobicContact CD2-CD1 4.42Å; F254-F355 AromaticContact CE1-CD1 3.6Å; F254-F355 HydrophobicContact CE1-CD1 3.6Å; F254-F355 AromaticContact CE1-CE1 3.82Å; F254-F355 HydrophobicContact CE1-CE1 3.82Å; F254-F355 HydrophobicContact CE2-CD1 4.47Å; F254-F355 HydrophobicContact CG-CB 4.13Å; F254-F355 AromaticContact CG-CD1 3.96Å; F254-F355 HydrophobicContact CG-CD1 3.96Å; F254-F355 HydrophobicContact CG-CG 4.42Å; F254-F355 HydrophobicContact CZ-CD1 4.08Å; F254-F355 HydrophobicContact CZ-CE1 4.39Å; L258-F355 HydrophobicContact CD1-CD1 4.01Å; L258-F355 HydrophobicContact CD1-CE1 3.77Å; F353-F355 HydrophobicContact CD2-CE1 4.34Å; F353-F355 HydrophobicContact CD2-CE2 4.16Å; F353-F355 AromaticContact CD2-CZ 3.88Å; F353-F355 HydrophobicContact CD2-CZ 3.88Å; F353-F355 HydrophobicContact CE2-CE1 4.45Å; F353-F355 AromaticContact CE2-CE2 3.69Å; F353-F355 HydrophobicContact CE2-CE2 3.69Å; F353-F355 AromaticContact CE2-CZ 3.57Å; F353-F355 HydrophobicContact CE2-CZ 3.57Å; F355-G357 PolarHBondContact O-N 3.5Å; F355-G357 VanDerWaalsContact O-N 3.09Å; F355-R358 PolarHBondContact N-O 2.95Å; F355-R358 WeakPolarHBondContact O-CB 3.44Å; F355-R358 PolarHBondContact O-N 3.43Å
356D96.6Very high93.8Very high18 Ų1852.8 Ų52.810%0.09628%0.28CS..THydrogen-bonded Turntrans51.235.6179.8-65.5-16000112.8L145 L255 N256 D257 R358L145-D356 HydrophobicContact CB-CB 4.32Å; L145-D356 HydrophobicContact CD1-CB 4.23Å; L145-D356 HydrophobicContact CD2-CB 4.29Å; L255-D356 PolarHBondContact N-OD1 2.84Å; L255-D356 PolarHBondContact N-OD2 2.82Å; N256-D356 WeakPolarHBondContact CA-OD1 3.38Å; N256-D356 WeakPolarHBondContact CB-OD1 3.48Å; N256-D356 PolarHBondContact N-OD1 2.92Å; D257-D356 PolarHBondContact N-OD1 3.12Å; D257-D356 PolarHBondContact O-N 3.37Å; D356-R358 VanDerWaalsContact C-N 3.3Å; D356-R358 PolarHBondContact O-N 2.94Å
357G94.3Very high93.8Very high60 Ų6056.4 Ų56.462%0.61930%0.295SS*.THydrogen-bonded Turntrans72.211.4-176.200000115.7F355F355-G357 PolarHBondContact O-N 3.5Å; F355-G357 VanDerWaalsContact O-N 3.09Å
358R92.6Very high93.8Very high91 Ų9148.1 Ų48.134%0.34327%0.274SS..BIsolated β-bridgetrans-108.6158.9-176.3-60.1-177.3178.3-137.4-1.5113.3S354 F355 D356 R360S354-R358 WeakPolarHBondContact CA-O 3.32Å; S354-R358 VanDerWaalsContact CB-O 3.25Å; S354-R358 WeakPolarHBondContact CB-O 3.41Å; F355-R358 PolarHBondContact N-O 2.95Å; F355-R358 WeakPolarHBondContact O-CB 3.44Å; F355-R358 PolarHBondContact O-N 3.43Å; D356-R358 VanDerWaalsContact C-N 3.3Å; D356-R358 PolarHBondContact O-N 2.94Å; R358-R360 PolarHBondContact O-N 2.85Å
359S87.7Confident94.1Very high69 Ų6947.9 Ų47.948%0.48327%0.272SS..  trans58.717.9170.7-52.50000116.5H361 S362 N363S359-H361 VanDerWaalsContact C-N 3.28Å; S359-H361 PolarHBondContact O-N 2.97Å; S359-S362 PolarHBondContact O-N 3.36Å; S359-S362 PolarHBondContact O-OG 3.11Å; S359-N363 WeakPolarHBondContact O-CB 3.4Å; S359-N363 PolarHBondContact O-N 2.78Å; S359-N363 VanDerWaalsContact O-N 3.1Å; S359-N363 PolarHBondContact O-ND2 2.84Å; S359-N363 PolarHBondContact O-OD1 2.98Å
360R89.6Confident94.3Very high74 Ų7445.4 Ų45.428%0.27925%0.254SS..THydrogen-bonded Turntrans-54-39.7-179.6-174.6-165.7160.2946.3114.4D261 G263 H352 F353 R358 S362 N363D261-R360 IonicContact OD1-CZ 2.96Å; D261-R360 IonicContact OD1-NH1 3.74Å; D261-R360 PolarHBondContact OD1-NH1 2.96Å; D261-R360 IonicContact OD1-NH2 2.74Å; D261-R360 PolarHBondContact OD1-NH2 3.21Å; D261-R360 IonicContact OD2-CZ 2.57Å; D261-R360 IonicContact OD2-NH1 2.61Å; D261-R360 PolarHBondContact OD2-NH1 3.23Å; D261-R360 IonicContact OD2-NH2 3.17Å; G263-R360 VanDerWaalsContact CA-NH2 3.26Å; H352-R360 HydrophobicContact CB-CG 4.05Å; H352-R360 PolarHBondContact ND1-O 2.82Å; F353-R360 WeakPolarHBondContact O-CA 3.39Å; R358-R360 PolarHBondContact O-N 2.85Å; R360-S362 VanDerWaalsContact C-N 3.35Å; R360-N363 PolarHBondContact O-N 2.97Å
361H83.4Confident94.3Very high168 Ų16843.6 Ų43.678%0.77824%0.243SC*.THydrogen-bonded Turntrans-69.1-33.2-175.3-60.996000112.6S359S359-H361 VanDerWaalsContact C-N 3.28Å; S359-H361 PolarHBondContact O-N 2.97Å
362S88.6Confident94.4Very high89 Ų8945.8 Ų45.862%0.62225%0.254SS*.THydrogen-bonded Turntrans-88.1-17.8177.454.30000113S359 R360 L364S359-S362 PolarHBondContact O-N 3.36Å; S359-S362 PolarHBondContact O-OG 3.11Å; R360-S362 VanDerWaalsContact C-N 3.35Å; S362-L364 PolarHBondContact O-N 3.43Å
363N94.1Very high94.4Very high25 Ų2543.8 Ų43.813%0.13425%0.245CC..  trans-98.393.7-171.5-74.43.4000111H352 F353 S359 R360H352-N363 WeakPolarHBondContact CA-O 3.49Å; F353-N363 HydrophobicContact CD1-CB 3.95Å; F353-N363 WeakPolarHBondContact CD1-O 3.43Å; F353-N363 HydrophobicContact CD2-CB 3.88Å; F353-N363 HydrophobicContact CE1-CB 3.73Å; F353-N363 HydrophobicContact CE2-CB 3.64Å; F353-N363 WeakPolarHBondContact CE2-ND2 3.14Å; F353-N363 HydrophobicContact CG-CB 4.02Å; F353-N363 HydrophobicContact CZ-CB 3.56Å; F353-N363 PolarHBondContact N-O 2.85Å; F353-N363 WeakPolarHBondContact O-CB 3.42Å; S359-N363 WeakPolarHBondContact O-CB 3.4Å; S359-N363 PolarHBondContact O-N 2.78Å; S359-N363 VanDerWaalsContact O-N 3.1Å; S359-N363 PolarHBondContact O-ND2 2.84Å; S359-N363 PolarHBondContact O-OD1 2.98Å; R360-N363 PolarHBondContact O-N 2.97Å
364L95.2Very high94.4Very high55 Ų5545.2 Ų45.229%0.28826%0.255SS..EExtended strand (participates in β ladder)trans-108.7134.2176.4-64.5172.5000110.8R203 T350 H352 S362R203-L364 PolarHBondContact NH1-O 3.43Å; T350-L364 HydrophobicContact CG2-CB 3.98Å; T350-L364 HydrophobicContact CG2-CD2 3.84Å; T350-L364 HydrophobicContact CG2-CG 4.34Å; H352-L364 WeakPolarHBondContact CE1-CD2 3.4Å; S362-L364 PolarHBondContact O-N 3.43Å
365L95.7Very high94.4Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-107.2120.1168.4-171.673.5000108.1V201 I342 T350 V351 F353 D369 I371V201-L365 HydrophobicContact CG1-CD1 3.9Å; I342-L365 WeakPolarHBondContact CD1-O 3.43Å; T350-L365 CarbonylContact C-O 3.57Å; T350-L365 VanDerWaalsContact CA-O 3.31Å; T350-L365 WeakPolarHBondContact CA-O 3.35Å; T350-L365 WeakPolarHBondContact CG2-O 3.16Å; V351-L365 HydrophobicContact CG2-CB 3.78Å; V351-L365 HydrophobicContact CG2-CD2 4.1Å; V351-L365 HydrophobicContact CG2-CG 4.45Å; V351-L365 PolarHBondContact N-O 2.83Å; V351-L365 PolarHBondContact O-N 3.1Å; F353-L365 HydrophobicContact CD1-CB 4.08Å; F353-L365 HydrophobicContact CE1-CB 4.45Å; L365-D369 HydrophobicContact CD1-CB 3.42Å; L365-D369 VanDerWaalsContact CD1-CB 3.42Å; L365-D369 HydrophobicContact CG-CB 4.14Å; L365-I371 HydrophobicContact CD1-CD1 4.09Å; L365-I371 HydrophobicContact CD1-CG1 3.66Å; L365-I371 HydrophobicContact CD2-CD1 3.87Å; L365-I371 HydrophobicContact CD2-CG1 3.99Å; L365-I371 HydrophobicContact CG-CD1 4.39Å; L365-I371 HydrophobicContact CG-CG1 4.4Å
366H95.6Very high94.4Very high51 Ų5145.2 Ų45.224%0.23626%0.259CS..EExtended strand (participates in β ladder)trans-100.5161.9178-62.9-104000110.9R244 S349 T350 G368 D369R244-H366 PolarHBondContact NH2-CD2 3.42Å; S349-H366 CarbonylContact O-C 3.57Å; S349-H366 WeakPolarHBondContact O-CA 3.39Å; T350-H366 PolarHBondContact OG1-ND1 3.24Å; T350-H366 VanDerWaalsContact OG1-ND1 3.09Å; H366-G368 PolarHBondContact O-N 3.39Å; H366-D369 IonicContact CD2-OD2 3.98Å; H366-D369 PolarHBondContact N-OD2 2.61Å; H366-D369 VanDerWaalsContact N-OD2 3.1Å; H366-D369 VanDerWaalsContact O-CB 3.24Å; H366-D369 WeakPolarHBondContact O-CB 3.29Å; H366-D369 PolarHBondContact O-N 3.04Å
367K95.1Very high94.2Very high82 Ų8246.9 Ų46.936%0.35727%0.27SS..THydrogen-bonded Turntrans-56.4130.1175.5-161166.6-174.5167.20110.5I342 A343 S344 A346 S349 D369I342-K367 HydrophobicContact CB-CG 4.48Å; I342-K367 HydrophobicContact CG2-CG 4.27Å; A343-K367 VanDerWaalsContact O-CE 3.22Å; A343-K367 WeakPolarHBondContact O-CE 3.37Å; S344-K367 VanDerWaalsContact C-CE 3.5Å; S344-K367 WeakPolarHBondContact O-CE 3.06Å; S344-K367 PolarHBondContact O-NZ 2.97Å; A346-K367 PolarHBondContact O-NZ 2.75Å; S349-K367 PolarHBondContact O-N 3.21Å; K367-D369 VanDerWaalsContact C-N 3.35Å
368G94.8Very high94.2Very high34 Ų3446.2 Ų46.235%0.35125%0.251SS..THydrogen-bonded Turntrans90.5-15.6-173.300000114.8S204 H366S204-G368 WeakPolarHBondContact CB-O 3.44Å; H366-G368 PolarHBondContact O-N 3.39Å
369D96.8Very high94.3Very high0 Ų042.3 Ų42.30%024%0.237CC..  trans-77.7157.4167.2-59.1-18000110I202 R203 S204 R244 S341 L365 H366 K367I202-D369 CarbonylContact O-C 3.57Å; I202-D369 VanDerWaalsContact O-CA 3.31Å; I202-D369 WeakPolarHBondContact O-CA 3.42Å; R203-D369 WeakPolarHBondContact CA-OD1 3.31Å; R203-D369 IonicContact NH1-OD2 3.06Å; R203-D369 PolarHBondContact NH1-OD2 3.19Å; R203-D369 VanDerWaalsContact NH1-OD2 3.12Å; S204-D369 PolarHBondContact N-OD1 2.57Å; R244-D369 IonicContact CZ-OD2 3.93Å; R244-D369 IonicContact NH2-OD1 3.68Å; R244-D369 IonicContact NH2-OD2 2.8Å; R244-D369 PolarHBondContact NH2-OD2 2.97Å; S341-D369 WeakPolarHBondContact CB-O 3.23Å; L365-D369 HydrophobicContact CD1-CB 3.42Å; L365-D369 VanDerWaalsContact CD1-CB 3.42Å; L365-D369 HydrophobicContact CG-CB 4.14Å; H366-D369 IonicContact CD2-OD2 3.98Å; H366-D369 PolarHBondContact N-OD2 2.61Å; H366-D369 VanDerWaalsContact N-OD2 3.1Å; H366-D369 VanDerWaalsContact O-CB 3.24Å; H366-D369 WeakPolarHBondContact O-CB 3.29Å; H366-D369 PolarHBondContact O-N 3.04Å; K367-D369 VanDerWaalsContact C-N 3.35Å
370V97.4Very high94.6Very high28 Ų2839.1 Ų39.117%0.1722%0.215CC..EExtended strand (participates in β ladder)trans-132.9135.3-179.7-178.10000109.9V201 I202 I207 E339 L372V201-V370 CarbonylContact C-O 3.55Å; V201-V370 WeakPolarHBondContact CA-O 3.45Å; I202-V370 HydrophobicContact CB-CB 4.48Å; I202-V370 PolarHBondContact N-O 2.93Å; I202-V370 PolarHBondContact O-N 2.96Å; I207-V370 HydrophobicContact CD1-CG2 4.13Å; E339-V370 HydrophobicContact CB-CG1 4.12Å; V370-L372 HydrophobicContact CG1-CD2 3.94Å
371I97.8Very high94.8Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-98.4123.2167.4-69178.8000108.6C199 V201 L258 I260 E339 I340 F353 L365 V373C199-I371 VanDerWaalsContact SG-CG2 3.58Å; V201-I371 HydrophobicContact CG1-CG1 4.42Å; V201-I371 HydrophobicContact CG2-CG1 4.27Å; L258-I371 HydrophobicContact CD2-CG2 3.77Å; I260-I371 HydrophobicContact CD1-CD1 3.9Å; I260-I371 HydrophobicContact CG1-CD1 4.16Å; E339-I371 CarbonylContact C-O 3.53Å; E339-I371 VanDerWaalsContact CA-O 3.32Å; E339-I371 WeakPolarHBondContact CA-O 3.2Å; I340-I371 HydrophobicContact CB-CB 4.44Å; I340-I371 HydrophobicContact CD1-CG2 4.43Å; I340-I371 PolarHBondContact N-O 2.74Å; I340-I371 PolarHBondContact O-N 3.25Å; F353-I371 HydrophobicContact CB-CD1 4.08Å; F353-I371 HydrophobicContact CD1-CD1 4.07Å; F353-I371 HydrophobicContact CD2-CD1 4.33Å; F353-I371 HydrophobicContact CG-CD1 3.91Å; L365-I371 HydrophobicContact CD1-CD1 4.09Å; L365-I371 HydrophobicContact CD1-CG1 3.66Å; L365-I371 HydrophobicContact CD2-CD1 3.87Å; L365-I371 HydrophobicContact CD2-CG1 3.99Å; L365-I371 HydrophobicContact CG-CD1 4.39Å; L365-I371 HydrophobicContact CG-CG1 4.4Å; I371-V373 HydrophobicContact CG2-CG2 3.49Å; I371-V373 VanDerWaalsContact CG2-CG2 3.49Å
372L98.1Very high95.4Very high47 Ų4728 Ų2825%0.24617%0.167CC..EExtended strand (participates in β ladder)trans-101126.9170.6-59.8-177.1000109.4C199 Q200 I202 L338 E339 V370C199-L372 CarbonylContact C-O 3.53Å; C199-L372 VanDerWaalsContact CA-O 3.26Å; C199-L372 WeakPolarHBondContact CA-O 3.19Å; Q200-L372 PolarHBondContact N-O 2.8Å; Q200-L372 PolarHBondContact O-N 3.09Å; I202-L372 HydrophobicContact CD1-CD1 3.5Å; I202-L372 VanDerWaalsContact CD1-CD1 3.5Å; I202-L372 HydrophobicContact CD1-CG 4.08Å; I202-L372 HydrophobicContact CG1-CD1 4.22Å; L338-L372 CarbonylContact O-C 3.55Å; L338-L372 WeakPolarHBondContact O-CA 3.26Å; E339-L372 HydrophobicContact CB-CD2 3.89Å; E339-L372 HydrophobicContact CG-CD2 3.54Å; V370-L372 HydrophobicContact CG1-CD2 3.94Å
373V98.1Very high95.7Very high2 Ų224 Ų241%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-130.6136.2-178.3175.60000110.9L197 C198 C199 L258 I290 L338 I340 I371L197-V373 HydrophobicContact CD1-CG1 4.49Å; L197-V373 HydrophobicContact CD2-CG1 3.68Å; L197-V373 HydrophobicContact CG-CG1 4.48Å; C198-V373 VanDerWaalsContact O-CA 3.3Å; C198-V373 WeakPolarHBondContact O-CA 3.03Å; C199-V373 HydrophobicContact CB-CG2 4.23Å; L258-V373 HydrophobicContact CD2-CG2 3.34Å; I290-V373 HydrophobicContact CD1-CG2 4.36Å; I290-V373 HydrophobicContact CG2-CG1 3.88Å; L338-V373 HydrophobicContact CB-CB 4.3Å; L338-V373 PolarHBondContact N-O 2.82Å; L338-V373 PolarHBondContact O-N 3.05Å; I340-V373 HydrophobicContact CD1-CG2 4.35Å; I371-V373 HydrophobicContact CG2-CG2 3.49Å; I371-V373 VanDerWaalsContact CG2-CG2 3.49Å
374S97.7Very high95.8Very high32 Ų3223.2 Ų23.222%0.22414%0.135CC..EExtended strand (participates in β ladder)trans-151.6168.4175.361.80000111.2L197 C198 S376L197-S374 WeakPolarHBondContact CA-O 3.08Å; L197-S374 VanDerWaalsContact CD2-O 3.3Å; L197-S374 WeakPolarHBondContact CD2-O 3.2Å; C198-S374 PolarHBondContact N-O 2.88Å; C198-S374 PolarHBondContact O-N 2.79Å; S374-S376 PolarHBondContact O-N 2.91Å
375A97.3Very high95.7Very high22 Ų2222.8 Ų22.818%0.18214%0.137CC..EExtended strand (participates in β ladder)trans-63.1130.3170.600000110.2T195 T334T195-A375 HydrophobicContact CG2-CB 4.41Å; T334-A375 HydrophobicContact CG2-CB 3.95Å
376S96.2Very high95.5Very high2 Ų228.1 Ų28.11%0.01416%0.162CC..  trans-69.7141.6176.2174.70000110.3R196 H253 S374 F378R196-S376 WeakPolarHBondContact O-CB 3.29Å; R196-S376 PolarHBondContact O-N 3.01Å; H253-S376 PolarHBondContact ND1-OG 2.95Å; S374-S376 PolarHBondContact O-N 2.91Å; S376-F378 PolarHBondContact O-N 3.46Å; S376-F378 PolarHBondContact OG-N 2.9Å
377P93.1Very high95.4Very high53 Ų5327.3 Ų27.334%0.34416%0.159SC..SBendtrans-69.5-13.1170.930-34.8000112.6L5 P379L5-P377 HydrophobicContact CD1-CB 3.94Å; L5-P377 HydrophobicContact CD2-CB 4.19Å; P377-P379 WeakPolarHBondContact O-CD 3.18Å
378F93.5Very high95.2Very high47 Ų4725.9 Ų25.921%0.20615%0.154CC..  trans-109.784.4-172.1-53.2-59000111.1L5 G153 I154 R196 H253 S376L5-F378 HydrophobicContact CD2-CD1 3.93Å; L5-F378 HydrophobicContact CD2-CE1 3.87Å; G153-F378 WeakPolarHBondContact O-CB 3.36Å; I154-F378 HydrophobicContact CG1-CD1 4.16Å; I154-F378 HydrophobicContact CG1-CE1 4.32Å; R196-F378 VanDerWaalsContact CZ-O 3.27Å; R196-F378 PolarHBondContact NE-O 2.78Å; R196-F378 PolarHBondContact NH2-O 2.68Å; H253-F378 AromaticContact CE1-CD2 3.96Å; H253-F378 AromaticContact NE2-CD2 3.82Å; H253-F378 AromaticContact NE2-CE2 3.95Å; S376-F378 PolarHBondContact O-N 3.46Å; S376-F378 PolarHBondContact OG-N 2.9Å
379P94Very high95.2Very high8 Ų827.1 Ų27.15%0.05215%0.154CC..  trans-67.4165.217531.3-37.3000111.9M2 L193 R194 P377 P381M2-P379 HydrophobicContact CB-CG 4.2Å; M2-P379 HydrophobicContact CG-CG 4.16Å; M2-P379 HydrophobicContact SD-CB 3.77Å; M2-P379 HydrophobicContact SD-CG 3.81Å; L193-P379 HydrophobicContact CB-CB 4.17Å; L193-P379 HydrophobicContact CB-CG 4.37Å; L193-P379 HydrophobicContact CD1-CG 4.43Å; L193-P379 HydrophobicContact CD2-CG 4.19Å; R194-P379 CarbonylContact O-C 3.52Å; R194-P379 VanDerWaalsContact O-CA 3.32Å; R194-P379 WeakPolarHBondContact O-CA 3.27Å; R194-P379 WeakPolarHBondContact O-CB 3.36Å; P377-P379 WeakPolarHBondContact O-CD 3.18Å; P379-P381 WeakPolarHBondContact O-CD 3.45Å
380V94.9Very high95.1Very high2 Ų229 Ų291%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-96.5112.8169.7-178.50000109T155 V158 R194 R196 L255 C382T155-V380 HydrophobicContact CG2-CG1 4.09Å; T155-V380 HydrophobicContact CG2-CG2 4.43Å; V158-V380 HydrophobicContact CG2-CG1 3.84Å; R194-V380 PolarHBondContact N-O 3.12Å; R194-V380 PolarHBondContact O-N 3.46Å; R196-V380 HydrophobicContact CG-CG2 3.94Å; L255-V380 HydrophobicContact CD1-CB 4.31Å; L255-V380 HydrophobicContact CD1-CG2 4.05Å; V380-C382 PolarHBondContact O-N 3.19Å
381P94.2Very high95Very high1 Ų128.9 Ų28.91%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-72.5109.6172.322.7-24.5000110.2F13 T155 P157 V158 L193 P379F13-P381 HydrophobicContact CE2-CB 4.42Å; F13-P381 HydrophobicContact CE2-CG 4.43Å; F13-P381 HydrophobicContact CZ-CB 4.41Å; F13-P381 HydrophobicContact CZ-CG 3.93Å; T155-P381 WeakPolarHBondContact O-CD 3.14Å; T155-P381 VanDerWaalsContact O-CG 3.23Å; T155-P381 WeakPolarHBondContact O-CG 3.49Å; P157-P381 CarbonylContact C-O 3.48Å; P157-P381 WeakPolarHBondContact CA-O 2.78Å; P157-P381 HydrophobicContact CB-CB 4.49Å; P157-P381 HydrophobicContact CG-CG 4.42Å; V158-P381 PolarHBondContact N-O 3.16Å; L193-P381 HydrophobicContact CD2-CB 3.77Å; P379-P381 WeakPolarHBondContact O-CD 3.45Å
382C95.7Very high94.8Very high8 Ų830.5 Ų30.55%0.05417%0.17CC..EExtended strand (participates in β ladder)trans-106.1124.8176.8-67.70000109.8C191 V192 V380C191-C382 CarbonylContact C-O 3.55Å; C191-C382 VanDerWaalsContact CA-O 3.26Å; C191-C382 WeakPolarHBondContact CA-O 3.47Å; C191-C382 PolarHBondContact SG-O 2.88Å; V192-C382 HydrophobicContact CG1-CB 3.88Å; V192-C382 PolarHBondContact N-O 2.86Å; V192-C382 PolarHBondContact O-N 2.9Å; V380-C382 PolarHBondContact O-N 3.19Å
383L95.6Very high94.7Very high4 Ų433 Ų332%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-70.4145.6174.8-57.4-173.2000110.2V22 L134 P157 V158 I159 F172 V184 Y190 C191V22-L383 HydrophobicContact CB-CD2 4.23Å; V22-L383 HydrophobicContact CG2-CD2 4.31Å; L134-L383 HydrophobicContact CD1-CD1 4.22Å; P157-L383 HydrophobicContact CB-CD2 4.21Å; P157-L383 HydrophobicContact CB-CG 4.44Å; V158-L383 PolarHBondContact O-N 3.45Å; I159-L383 HydrophobicContact CB-CD1 4.23Å; F172-L383 HydrophobicContact CE2-CB 4.37Å; F172-L383 WeakPolarHBondContact CE2-O 3.01Å; F172-L383 HydrophobicContact CZ-CB 4.32Å; V184-L383 HydrophobicContact CB-CD1 4.37Å; V184-L383 HydrophobicContact CG1-CD1 3.69Å; V184-L383 HydrophobicContact CG2-CD1 3.69Å; Y190-L383 CarbonylContact O-C 3.55Å; Y190-L383 WeakPolarHBondContact O-CA 3.33Å; C191-L383 HydrophobicContact CB-CD2 3.92Å
384C94.9Very high94.4Very high9 Ų935.6 Ų35.66%0.06120%0.197CC..  trans-103.9146.3-179.1-600000110.8F172 Y190 D391F172-C384 WeakPolarHBondContact CZ-O 3.39Å; Y190-C384 PolarHBondContact O-N 3.03Å; C384-D391 WeakPolarHBondContact CA-OD2 3.41Å; C384-D391 VanDerWaalsContact CB-OD2 3.28Å; C384-D391 WeakPolarHBondContact CB-OD2 3.04Å
385S92.9Very high94.1Very high46 Ų4634.5 Ų34.532%0.32219%0.19SC..SBendtrans-69.9-41.3174.7-175.90000111.6D391S385-D391 PolarHBondContact N-OD2 3.41Å
386E92Very high93.9Very high113 Ų11333.5 Ų33.553%0.52818%0.182SC..SBendtrans-124.8-60.5174.6-169.3-176130.900111.7Y190 T390 D391Y190-E386 WeakPolarHBondContact CD2-O 3.49Å; Y190-E386 WeakPolarHBondContact CE2-O 3.28Å; E386-T390 HydrophobicContact CB-CG2 4.29Å; E386-T390 PolarHBondContact OE1-OG1 3.04Å; E386-T390 WeakPolarHBondContact OE2-CG2 3.35Å; E386-D391 PolarHBondContact N-OD1 3.41Å
387N92.9Very high93.7Very high33 Ų3335.7 Ų35.718%0.17620%0.2CC..  trans-165.1171.1171.663.370.2000108.7Y190 V389 T390 D391Y190-N387 HydrophobicContact CD1-CB 4Å; Y190-N387 HydrophobicContact CD2-CB 4.45Å; Y190-N387 HydrophobicContact CE1-CB 4.21Å; Y190-N387 HydrophobicContact CG-CB 4.13Å; N387-V389 VanDerWaalsContact C-N 3.3Å; N387-V389 PolarHBondContact O-N 2.82Å; N387-V389 PolarHBondContact OD1-N 3.47Å; N387-T390 PolarHBondContact ND2-OG1 3.06Å; N387-T390 PolarHBondContact OD1-N 2.81Å; N387-T390 PolarHBondContact OD1-OG1 3.3Å; N387-D391 VanDerWaalsContact O-CB 3.22Å; N387-D391 WeakPolarHBondContact O-CB 3.47Å; N387-D391 PolarHBondContact O-N 3.35Å
388E92.5Very high93.4Very high53 Ų5339.2 Ų39.225%0.24821%0.212CC..Hα-helixtrans-60.9-36.2-174.671.8-70.3172.400113.7V192 H309 W392V192-E388 HydrophobicContact CB-CB 4.05Å; V192-E388 HydrophobicContact CG2-CB 4.35Å; H309-E388 PolarHBondContact NE2-O 2.96Å; E388-W392 WeakPolarHBondContact O-CB 3.49Å; E388-W392 PolarHBondContact O-N 3.02Å
389V94.2Very high93.1Very high60 Ų6038.8 Ų38.836%0.36421%0.214SC..Hα-helixtrans-77.7-50.5-177.7179.10000110.8N387 D391 W392 F393N387-V389 VanDerWaalsContact C-N 3.3Å; N387-V389 PolarHBondContact O-N 2.82Å; N387-V389 PolarHBondContact OD1-N 3.47Å; V389-D391 VanDerWaalsContact C-N 3.35Å; V389-D391 PolarHBondContact O-N 2.92Å; V389-W392 PolarHBondContact O-N 3.19Å; V389-F393 HydrophobicContact CG1-CD2 3.74Å; V389-F393 HydrophobicContact CG1-CE2 3.76Å; V389-F393 WeakPolarHBondContact O-CD2 3.31Å; V389-F393 PolarHBondContact O-N 2.87Å
390T94.5Very high92.7Very high40 Ų4041.1 Ų41.125%0.24523%0.226CC..Hα-helixtrans-60.9-45.5179.4-60.30000110.5E386 N387 W392 F393 C394E386-T390 HydrophobicContact CB-CG2 4.29Å; E386-T390 PolarHBondContact OE1-OG1 3.04Å; E386-T390 WeakPolarHBondContact OE2-CG2 3.35Å; N387-T390 PolarHBondContact ND2-OG1 3.06Å; N387-T390 PolarHBondContact OD1-N 2.81Å; N387-T390 PolarHBondContact OD1-OG1 3.3Å; T390-W392 VanDerWaalsContact C-N 3.3Å; T390-W392 PolarHBondContact O-N 2.91Å; T390-F393 PolarHBondContact O-N 3.1Å; T390-C394 VanDerWaalsContact O-CB 3.27Å; T390-C394 WeakPolarHBondContact O-CB 3.46Å; T390-C394 PolarHBondContact O-N 3.38Å; T390-C394 PolarHBondContact O-SG 3.22Å
391D94.3Very high92.4Very high25 Ų2545.6 Ų45.613%0.13425%0.25CS..Hα-helixtrans-61.5-40.8179.6-75.815.3000111.2P171 C384 S385 E386 N387 V389 C394 G395P171-D391 HydrophobicContact CB-CB 4.36Å; P171-D391 WeakPolarHBondContact CB-OD2 3.05Å; C384-D391 WeakPolarHBondContact CA-OD2 3.41Å; C384-D391 VanDerWaalsContact CB-OD2 3.28Å; C384-D391 WeakPolarHBondContact CB-OD2 3.04Å; S385-D391 PolarHBondContact N-OD2 3.41Å; E386-D391 PolarHBondContact N-OD1 3.41Å; N387-D391 VanDerWaalsContact O-CB 3.22Å; N387-D391 WeakPolarHBondContact O-CB 3.47Å; N387-D391 PolarHBondContact O-N 3.35Å; V389-D391 VanDerWaalsContact C-N 3.35Å; V389-D391 PolarHBondContact O-N 2.92Å; D391-C394 PolarHBondContact O-N 3.09Å; D391-G395 PolarHBondContact O-N 2.94Å
392W95.2Very high92.1Very high34 Ų3452 Ų5213%0.12927%0.274CS..Hα-helixtrans-66.2-47.9179.1-172.679.9000112.3F168 M307 H309 E388 V389 T390 C394 G395 L396F168-W392 AromaticContact CE1-CD1 3.76Å; F168-W392 AromaticContact CE1-NE1 3.9Å; F168-W392 AromaticContact CZ-CD1 3.5Å; F168-W392 VanDerWaalsContact CZ-CD1 3.5Å; F168-W392 HydrophobicContact CZ-CG 4.28Å; F168-W392 AromaticContact CZ-NE1 3.55Å; M307-W392 HydrophobicContact CB-CZ2 4.5Å; H309-W392 HydrophobicContact CB-CD2 4.37Å; H309-W392 HydrophobicContact CB-CH2 4.44Å; H309-W392 HydrophobicContact CB-CZ2 4.2Å; H309-W392 AromaticContact CD2-CD2 3.49Å; H309-W392 VanDerWaalsContact CD2-CD2 3.49Å; H309-W392 AromaticContact CD2-CE3 3.69Å; H309-W392 AromaticContact CD2-CG 3.52Å; E388-W392 WeakPolarHBondContact O-CB 3.49Å; E388-W392 PolarHBondContact O-N 3.02Å; V389-W392 PolarHBondContact O-N 3.19Å; T390-W392 VanDerWaalsContact C-N 3.3Å; T390-W392 PolarHBondContact O-N 2.91Å; W392-C394 VanDerWaalsContact C-N 3.34Å; W392-C394 PolarHBondContact O-N 3.06Å; W392-G395 WeakPolarHBondContact O-CA 3.35Å; W392-G395 PolarHBondContact O-N 3.25Å; W392-G395 VanDerWaalsContact O-N 3.13Å; W392-L396 HydrophobicContact CD2-CD1 4.1Å; W392-L396 HydrophobicContact CD2-CG 4.27Å; W392-L396 HydrophobicContact CE3-CD1 3.66Å; W392-L396 HydrophobicContact CE3-CG 4.27Å; W392-L396 HydrophobicContact CH2-CD1 3.49Å; W392-L396 VanDerWaalsContact CH2-CD1 3.49Å; W392-L396 HydrophobicContact CH2-CG 4.42Å; W392-L396 HydrophobicContact CZ2-CD1 3.9Å; W392-L396 HydrophobicContact CZ2-CD2 4.33Å; W392-L396 HydrophobicContact CZ2-CG 4.37Å; W392-L396 HydrophobicContact CZ3-CD1 3.35Å; W392-L396 HydrophobicContact CZ3-CG 4.36Å; W392-L396 WeakPolarHBondContact O-CG 3.39Å; W392-L396 PolarHBondContact O-N 3.12Å
393F94.5Very high91.7Very high100 Ų10058 Ų5844%0.43931%0.306SS..Hα-helixtrans-65.6-36.2176.5-81.5-67.2000112.6V389 T390 G395 L396 A397V389-F393 HydrophobicContact CG1-CD2 3.74Å; V389-F393 HydrophobicContact CG1-CE2 3.76Å; V389-F393 WeakPolarHBondContact O-CD2 3.31Å; V389-F393 PolarHBondContact O-N 2.87Å; T390-F393 PolarHBondContact O-N 3.1Å; F393-G395 VanDerWaalsContact C-N 3.31Å; F393-G395 PolarHBondContact O-N 3.32Å; F393-L396 HydrophobicContact CD1-CD1 4.09Å; F393-L396 HydrophobicContact CE1-CD1 4.37Å; F393-L396 PolarHBondContact O-N 2.8Å; F393-A397 WeakPolarHBondContact O-CB 3.24Å; F393-A397 PolarHBondContact O-N 2.83Å
394C92.3Very high91.2Very high56 Ų5664.3 Ų64.338%0.37834%0.339SS..Hα-helixtrans-60.4-43.2170.8-77.10000111.1T390 D391 W392 A397 H398T390-C394 VanDerWaalsContact O-CB 3.27Å; T390-C394 WeakPolarHBondContact O-CB 3.46Å; T390-C394 PolarHBondContact O-N 3.38Å; T390-C394 PolarHBondContact O-SG 3.22Å; D391-C394 PolarHBondContact O-N 3.09Å; W392-C394 VanDerWaalsContact C-N 3.34Å; W392-C394 PolarHBondContact O-N 3.06Å; C394-A397 PolarHBondContact O-N 3.49Å; C394-H398 WeakPolarHBondContact O-CB 3.14Å; C394-H398 PolarHBondContact O-N 3.1Å; C394-H398 PolarHBondContact O-ND1 3.44Å
395G92.4Very high90.5Very high8 Ų872.6 Ų72.68%0.08237%0.369CS..Hα-helixtrans-58-47.9173.500000112.1F168 D391 W392 F393 A397 C399F168-G395 VanDerWaalsContact CE2-C 3.42Å; D391-G395 PolarHBondContact O-N 2.94Å; W392-G395 WeakPolarHBondContact O-CA 3.35Å; W392-G395 PolarHBondContact O-N 3.25Å; W392-G395 VanDerWaalsContact O-N 3.13Å; F393-G395 VanDerWaalsContact C-N 3.31Å; F393-G395 PolarHBondContact O-N 3.32Å; G395-A397 PolarHBondContact O-N 3.5Å; G395-C399 WeakPolarHBondContact O-CA 3.39Å; G395-C399 WeakPolarHBondContact O-CB 3.5Å; G395-C399 PolarHBondContact O-N 3.13Å
396L93Very high89.7Confident2 Ų281.6 Ų81.61%0.0140%0.396CS..Hα-helixtrans-61.1-46.6178.8-70.6-175.7000112F168 M307 W392 F393 L400 N401 W402F168-L396 HydrophobicContact CE2-CD2 3.87Å; F168-L396 HydrophobicContact CE2-CG 4.24Å; F168-L396 HydrophobicContact CZ-CD2 4.09Å; F168-L396 HydrophobicContact CZ-CG 4.45Å; M307-L396 HydrophobicContact CE-CD2 4.1Å; M307-L396 HydrophobicContact SD-CD2 3.53Å; M307-L396 VanDerWaalsContact SD-CD2 3.53Å; W392-L396 HydrophobicContact CD2-CD1 4.1Å; W392-L396 HydrophobicContact CD2-CG 4.27Å; W392-L396 HydrophobicContact CE3-CD1 3.66Å; W392-L396 HydrophobicContact CE3-CG 4.27Å; W392-L396 HydrophobicContact CH2-CD1 3.49Å; W392-L396 VanDerWaalsContact CH2-CD1 3.49Å; W392-L396 HydrophobicContact CH2-CG 4.42Å; W392-L396 HydrophobicContact CZ2-CD1 3.9Å; W392-L396 HydrophobicContact CZ2-CD2 4.33Å; W392-L396 HydrophobicContact CZ2-CG 4.37Å; W392-L396 HydrophobicContact CZ3-CD1 3.35Å; W392-L396 HydrophobicContact CZ3-CG 4.36Å; W392-L396 WeakPolarHBondContact O-CG 3.39Å; W392-L396 PolarHBondContact O-N 3.12Å; F393-L396 HydrophobicContact CD1-CD1 4.09Å; F393-L396 HydrophobicContact CE1-CD1 4.37Å; F393-L396 PolarHBondContact O-N 2.8Å; L396-L400 HydrophobicContact CD2-CD1 3.91Å; L396-L400 CarbonylContact O-C 3.57Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 PolarHBondContact O-N 3.33Å; L396-N401 PolarHBondContact O-N 3.31Å; L396-W402 HydrophobicContact CB-CB 3.94Å; L396-W402 HydrophobicContact CB-CG 4.44Å; L396-W402 HydrophobicContact CD1-CD2 4.4Å; L396-W402 HydrophobicContact CD1-CE3 4.39Å; L396-W402 WeakPolarHBondContact O-CB 3.49Å; L396-W402 PolarHBondContact O-N 3.41Å
397A90.6Very high88.9Confident48 Ų4887.4 Ų87.440%0.39741%0.413SS..Hα-helixtrans-67.4-48.5-177.900000111.8F393 C394 G395 N401F393-A397 WeakPolarHBondContact O-CB 3.24Å; F393-A397 PolarHBondContact O-N 2.83Å; C394-A397 PolarHBondContact O-N 3.49Å; G395-A397 PolarHBondContact O-N 3.5Å; A397-N401 VanDerWaalsContact O-CA 3.3Å; A397-N401 WeakPolarHBondContact O-CA 3.3Å; A397-N401 PolarHBondContact O-N 3.21Å
398H86.9Confident87.9Confident126 Ų12693.3 Ų93.358%0.58344%0.439SS*.Hα-helixtrans-85.5-42.4-171.8-63.593.1000112.7L166 C394L166-H398 HydrophobicContact CD2-CB 3.72Å; L166-H398 WeakPolarHBondContact CD2-O 3.22Å; C394-H398 WeakPolarHBondContact O-CB 3.14Å; C394-H398 PolarHBondContact O-N 3.1Å; C394-H398 PolarHBondContact O-ND1 3.44Å
399C86.8Confident87.1Confident38 Ų3897.9 Ų97.926%0.25747%0.466SS..Hα-helixtrans-84-39.2-174.6-52.50000112L166 G167 F168 G395L166-C399 HydrophobicContact CB-CB 4.44Å; L166-C399 HydrophobicContact CD2-CB 4.26Å; G167-C399 PolarHBondContact O-SG 3.23Å; F168-C399 HydrophobicContact CD2-CB 4.33Å; G395-C399 WeakPolarHBondContact O-CA 3.39Å; G395-C399 WeakPolarHBondContact O-CB 3.5Å; G395-C399 PolarHBondContact O-N 3.13Å
400L87.2Confident86.2Confident58 Ų5899.1 Ų99.130%0.30448%0.482SS..Hα-helixtrans-106.5-2.7-173.3-57.9-179.4000113.3F168 T297 M301 M307 L396 W402F168-L400 HydrophobicContact CD2-CD1 4.4Å; F168-L400 HydrophobicContact CE2-CD1 4.27Å; T297-L400 HydrophobicContact CG2-CD1 4.45Å; M301-L400 HydrophobicContact CE-CD2 4.09Å; M301-L400 HydrophobicContact SD-CD1 3.95Å; M301-L400 HydrophobicContact SD-CD2 4.36Å; M307-L400 HydrophobicContact SD-CD1 3.45Å; M307-L400 WeakPolarHBondContact SD-CD1 3.41Å; L396-L400 HydrophobicContact CD2-CD1 3.91Å; L396-L400 CarbonylContact O-C 3.57Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 PolarHBondContact O-N 3.33Å; L400-W402 PolarHBondContact O-N 3.42Å; L400-W402 VanDerWaalsContact O-N 3.13Å
401N88.1Confident84.8Confident96 Ų96103.3 Ų103.351%0.51351%0.507SS..  trans47.239.7-172.7-67.1-59.7000111.8L396 A397 N403 L404L396-N401 PolarHBondContact O-N 3.31Å; A397-N401 VanDerWaalsContact O-CA 3.3Å; A397-N401 WeakPolarHBondContact O-CA 3.3Å; A397-N401 PolarHBondContact O-N 3.21Å; N401-N403 PolarHBondContact O-N 2.96Å; N401-L404 HydrophobicContact CB-CB 4.15Å; N401-L404 WeakPolarHBondContact O-CB 3.31Å; N401-L404 PolarHBondContact O-N 3.48Å
402W88.1Confident83.3Confident135 Ų135108.9 Ų108.951%0.51154%0.535SS..THydrogen-bonded Turntrans-59.2124.9-170.5176.468000111M307 L396 L400 L404M307-W402 VanDerWaalsContact CE-CD1 3.49Å; M307-W402 HydrophobicContact CE-CG 4.29Å; L396-W402 HydrophobicContact CB-CB 3.94Å; L396-W402 HydrophobicContact CB-CG 4.44Å; L396-W402 HydrophobicContact CD1-CD2 4.4Å; L396-W402 HydrophobicContact CD1-CE3 4.39Å; L396-W402 WeakPolarHBondContact O-CB 3.49Å; L396-W402 PolarHBondContact O-N 3.41Å; L400-W402 PolarHBondContact O-N 3.42Å; L400-W402 VanDerWaalsContact O-N 3.13Å; W402-L404 PolarHBondContact O-N 2.71Å; W402-L404 VanDerWaalsContact O-N 3.13Å
403N87.6Confident81.4Confident134 Ų134113.9 Ų113.972%0.71756%0.564SS**THydrogen-bonded Turntrans55.124.1-178.6-161.332.1000115N401 R405N401-N403 PolarHBondContact O-N 2.96Å; N403-R405 PolarHBondContact O-N 3.39Å; N403-R405 VanDerWaalsContact O-N 3.14Å
404L84Confident79.4Confident137 Ų137114.4 Ų114.472%0.71758%0.58SS**  trans-72.5107.3175.2-167.3105.6000110N401 W402N401-L404 HydrophobicContact CB-CB 4.15Å; N401-L404 WeakPolarHBondContact O-CB 3.31Å; N401-L404 PolarHBondContact O-N 3.48Å; W402-L404 PolarHBondContact O-N 2.71Å; W402-L404 VanDerWaalsContact O-N 3.13Å
405R80Confident77.5Confident183 Ų183116.4 Ų116.469%0.69159%0.593SS**  trans-111.9134176.2-166.2177.9178.8-151.7-4.9110.3N403 R407N403-R405 PolarHBondContact O-N 3.39Å; N403-R405 VanDerWaalsContact O-N 3.14Å; R405-R407 PolarHBondContact O-N 2.93Å
406R76.7Confident75.6Confident234 Ų234122.1 Ų122.188%0.88363%0.628SS**PPolyproline II helixtrans-60.5122.1164.8-76.8-172.6178.3-1790.5108.3Q408R406-Q408 PolarHBondContact O-N 3.5Å
407R75.6Confident73.7Confident236 Ų236127.4 Ų127.489%0.89166%0.661SS**PPolyproline II helixtrans-57126.5173.6-85.2-174.2173.5178.3-1.4108.8R405 N409R405-R407 PolarHBondContact O-N 2.93Å; R407-N409 PolarHBondContact O-N 2.97Å
408Q72Confident71.7Confident156 Ų156132.9 Ų132.973%0.72968%0.684SS**PPolyproline II helixtrans-71.1122.4166.4-81.1175.7-3500107.4R406R406-Q408 PolarHBondContact O-N 3.5Å
409N74.2Confident69.6Low150 Ų150140.4 Ų140.480%0.80272%0.715SS**PPolyproline II helixtrans-64.9139.9170.5-70.1-18.8000108.5R407 V411R407-N409 PolarHBondContact O-N 2.97Å; N409-V411 PolarHBondContact O-N 3.24Å
410A76.5Confident68.7Low85 Ų85145.5 Ų145.570%0.70274%0.738SS**PPolyproline II helixtrans-58.2139168.100000108.7I412A410-I412 VanDerWaalsContact C-N 3.33Å; A410-I412 PolarHBondContact O-N 3.04Å
411V64.3Low67.7Low128 Ų128150.1 Ų150.178%0.77676%0.76SS**  trans-66.8100.8167-179.70000106N409 N413N409-V411 PolarHBondContact O-N 3.24Å; V411-N413 VanDerWaalsContact C-N 3.34Å; V411-N413 PolarHBondContact O-N 3.09Å
412I64.3Low66.6Low142 Ų142153.1 Ų153.173%0.72877%0.774SS**  trans-69.9101.7167.7-57.7174.2000104.8A410 C414A410-I412 VanDerWaalsContact C-N 3.33Å; A410-I412 PolarHBondContact O-N 3.04Å; I412-C414 VanDerWaalsContact C-N 3.27Å; I412-C414 PolarHBondContact O-N 3.2Å
413N55.3Low65.3Low139 Ų139154.2 Ų154.274%0.74379%0.79SS**  trans-63.997.8163-78.5-16.9000106.1V411 C415V411-N413 VanDerWaalsContact C-N 3.34Å; V411-N413 PolarHBondContact O-N 3.09Å; N413-C415 VanDerWaalsContact C-N 3.28Å; N413-C415 PolarHBondContact O-N 2.92Å
414C52.1Low63.9Low112 Ų112155.4 Ų155.476%0.75779%0.794SS**  trans-59.198.9163.7-66.20000106.8I412 P416I412-C414 VanDerWaalsContact C-N 3.27Å; I412-C414 PolarHBondContact O-N 3.2Å; C414-P416 WeakPolarHBondContact O-CD 3.06Å
415C52.4Low62.6Low98 Ų98156.7 Ų156.766%0.66280%0.799SS**  trans-60.8124.7164.5-105.20000107.3N413 T417N413-C415 VanDerWaalsContact C-N 3.28Å; N413-C415 PolarHBondContact O-N 2.92Å; C415-T417 PolarHBondContact O-N 3.15Å
416P52.4Low61.3Low127 Ų127154.8 Ų154.883%0.82581%0.807SS**SBendtrans-79.275.717232.7-30.3000108.2C414C414-P416 WeakPolarHBondContact O-CD 3.06Å
417T52.5Low60.2Low114 Ų114148.7 Ų148.770%0.69980%0.801SS**  trans-132.218.417252.70000114C415C415-T417 PolarHBondContact O-N 3.15Å
418D49.6Very low58.9Low163 Ų163141.4 Ų141.487%0.87279%0.794SS**  trans-120.571.6164.9-72.9-32.6000109.5
419K41Very low57.7Low283 Ų283140.1 Ų140.1100%1.2380%0.8SS**  trans-146.10160.4-85.3-160.2178.2-177.90111

Retrieved 419 of 419 residues in 89 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).