A0A5K4F759_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4F759, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 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
1M48.9Very low75.1Confident215 Ų215129.5 Ų129.5100%1.05975%0.745SS**  0116.60-76.2172.6-163.700107
2V58.7Low75.9Confident152 Ų152130.7 Ų130.792%0.92175%0.747SS**  trans-85.7107.1167-178.50000104.6
3F65.3Low77.1Confident175 Ų175128.8 Ų128.877%0.76873%0.728SS**PPolyproline II helixtrans-64.9135.5171.1-66.7-84.3000107.6E5F3-E5 PolarHBondContact O-N 3.08Å
4S76Confident78.3Confident110 Ų110123.7 Ų123.777%0.76970%0.697SS**PPolyproline II helixtrans-57.2135.9171.3520000109G6S4-G6 PolarHBondContact O-N 3.4Å
5E75Confident79.5Confident198 Ų198120.5 Ų120.593%0.92568%0.677SS**PPolyproline II helixtrans-51.4118.5173.7-77.2-175.7160.200109.3F3F3-E5 PolarHBondContact O-N 3.08Å
6G81.2Confident80.6Confident65 Ų65116.8 Ų116.867%0.6765%0.654SS**PPolyproline II helixtrans-68.9171.3174.500000110.6S4 G8S4-G6 PolarHBondContact O-N 3.4Å; G6-G8 PolarHBondContact O-N 3.01Å
7K83.8Confident81.5Confident220 Ų220114.4 Ų114.496%0.95764%0.639SS**  trans-61.7-10.8178.5-66.2-174.6178.3-178.70114.3
8G84Confident82.3Confident66 Ų66113.6 Ų113.668%0.6864%0.637SS**  trans69.5-163.7-17500000112.4G6G6-G8 PolarHBondContact O-N 3.01Å
9I84.8Confident82.9Confident62 Ų62112.5 Ų112.532%0.31863%0.625SS.*PPolyproline II helixtrans-96.7136.1175.2-63168.3000107.4E13 L15 F47 V48I9-E13 HydrophobicContact CG2-CB 3.63Å; I9-L15 HydrophobicContact CD1-CB 3.73Å; I9-L15 HydrophobicContact CD1-CD2 3.94Å; I9-L15 HydrophobicContact CG1-CB 4.45Å; I9-F47 HydrophobicContact CD1-CD2 3.84Å; I9-F47 HydrophobicContact CD1-CE2 4Å; I9-V48 HydrophobicContact CD1-CG2 3.64Å
10A85.9Confident83.3Confident44 Ų44110.4 Ų110.436%0.36461%0.612SS.*PPolyproline II helixtrans-71.7159-178.100000111.4N12 E13A10-N12 PolarHBondContact O-N 3.49Å; A10-E13 HydrophobicContact CB-CG 3.96Å; A10-E13 VanDerWaalsContact CB-OE2 3.29Å; A10-E13 WeakPolarHBondContact CB-OE2 3.34Å; A10-E13 PolarHBondContact N-OE2 3.04Å; A10-E13 WeakPolarHBondContact O-CB 3.5Å; A10-E13 PolarHBondContact O-N 2.97Å; A10-E13 VanDerWaalsContact O-N 3.17Å
11P82.9Confident83.5Confident117 Ų117109.4 Ų109.476%0.7661%0.605SS**THydrogen-bonded Turntrans-54.3138.2175-25.134.5000111.7E13P11-E13 PolarHBondContact O-N 3.16Å
12N84.6Confident85.3Confident144 Ų144105.5 Ų105.577%0.7758%0.584SS**THydrogen-bonded Turntrans667-178.7-52-41.5000116.3A10A10-N12 PolarHBondContact O-N 3.49Å
13E91.4Very high86.5Confident107 Ų107101.1 Ų101.150%0.556%0.556SS.*  trans-81161.9170.5-67.2-17816200111.5I9 A10 P11 R45I9-E13 HydrophobicContact CG2-CB 3.63Å; A10-E13 HydrophobicContact CB-CG 3.96Å; A10-E13 VanDerWaalsContact CB-OE2 3.29Å; A10-E13 WeakPolarHBondContact CB-OE2 3.34Å; A10-E13 PolarHBondContact N-OE2 3.04Å; A10-E13 WeakPolarHBondContact O-CB 3.5Å; A10-E13 PolarHBondContact O-N 2.97Å; A10-E13 VanDerWaalsContact O-N 3.17Å; P11-E13 PolarHBondContact O-N 3.16Å; E13-R45 PolarHBondContact O-NH1 2.8Å; E13-R45 PolarHBondContact O-NH2 2.81Å; E13-R45 VanDerWaalsContact O-NH2 3.08Å
14L94.1Very high87.4Confident57 Ų57101 Ų10130%0.29856%0.563SS.*  trans-130.2118.3172.6172.463.4000107.5I16 V79 L80L14-I16 HydrophobicContact CD2-CD1 3.99Å; L14-I16 HydrophobicContact CD2-CG1 4.06Å; L14-I16 HydrophobicContact CG-CD1 4.28Å; L14-I16 HydrophobicContact CG-CG1 3.88Å; L14-V79 HydrophobicContact CD1-CG1 3.98Å; L14-V79 HydrophobicContact CD2-CG1 4.13Å; L14-L80 HydrophobicContact CD2-CD2 3.77Å
15L95.8Very high87.7Confident76 Ų7699.6 Ų99.640%0.39855%0.55SS.*EExtended strand (participates in β ladder)trans-89.6126.6171.617663.9000109.4I9 L17 F47 V48 G49I9-L15 HydrophobicContact CD1-CB 3.73Å; I9-L15 HydrophobicContact CD1-CD2 3.94Å; I9-L15 HydrophobicContact CG1-CB 4.45Å; L15-L17 HydrophobicContact CD1-CD2 4.43Å; L15-L17 HydrophobicContact CD2-CD2 4.24Å; L15-L17 HydrophobicContact CG-CD2 4.24Å; L15-F47 PolarHBondContact N-O 2.74Å; L15-V48 HydrophobicContact CB-CG2 4.48Å; L15-V48 HydrophobicContact CD2-CG1 4.33Å; L15-V48 CarbonylContact O-C 3.52Å; L15-V48 WeakPolarHBondContact O-CA 3.33Å; L15-G49 PolarHBondContact O-N 2.9Å
16I96.7Very high88.2Confident61 Ų6190.6 Ų90.631%0.31351%0.509SS..EExtended strand (participates in β ladder)trans-118.1117.2177.4-53.8165.8000108.2L14 V18 G49 V51 L76L14-I16 HydrophobicContact CD2-CD1 3.99Å; L14-I16 HydrophobicContact CD2-CG1 4.06Å; L14-I16 HydrophobicContact CG-CD1 4.28Å; L14-I16 HydrophobicContact CG-CG1 3.88Å; I16-V18 HydrophobicContact CG2-CG2 4.26Å; I16-G49 WeakPolarHBondContact CA-O 3.45Å; I16-V51 HydrophobicContact CG2-CG2 3.84Å; I16-L76 HydrophobicContact CD1-CD2 3.54Å; I16-L76 HydrophobicContact CG1-CD2 4.46Å; I16-L76 HydrophobicContact CG2-CD2 4.37Å
17L96.7Very high88.2Confident76 Ų7689.3 Ų89.340%0.39850%0.496SS..EExtended strand (participates in β ladder)trans-88.1112.4174.3-57.9178.8000108.6L15 G49 V50 V51L15-L17 HydrophobicContact CD1-CD2 4.43Å; L15-L17 HydrophobicContact CD2-CD2 4.24Å; L15-L17 HydrophobicContact CG-CD2 4.24Å; L17-G49 PolarHBondContact N-O 3.37Å; L17-V50 HydrophobicContact CB-CB 4.41Å; L17-V50 HydrophobicContact CB-CG2 4.35Å; L17-V50 CarbonylContact O-C 3.54Å; L17-V50 VanDerWaalsContact O-CA 3.25Å; L17-V50 WeakPolarHBondContact O-CA 3.4Å; L17-V50 WeakPolarHBondContact O-CG2 3.28Å; L17-V51 PolarHBondContact O-N 3.15Å
18V95.1Very high87.7Confident100 Ų10088.6 Ų88.661%0.60650%0.496SS*.EExtended strand (participates in β ladder)trans-94.8131.1177.9-174.30000109.7I16 V51 Y53I16-V18 HydrophobicContact CG2-CG2 4.26Å; V18-V51 CarbonylContact C-O 3.6Å; V18-V51 WeakPolarHBondContact CA-O 3.42Å; V18-Y53 HydrophobicContact CG1-CD2 4.19Å; V18-Y53 HydrophobicContact CG1-CE2 3.86Å
19K93.5Very high87.5Confident92 Ų9293 Ų9340%0.450%0.504SS..EExtended strand (participates in β ladder)trans-130.4157.2-179.1-61-177.3-175.81780110.6I21 V50 V51 N52 Y53K19-I21 HydrophobicContact CB-CG1 4.4Å; K19-I21 HydrophobicContact CD-CD1 4.16Å; K19-V50 HydrophobicContact CD-CG2 3.92Å; K19-V50 HydrophobicContact CG-CG2 4.26Å; K19-V51 PolarHBondContact N-O 3.24Å; K19-N52 HydrophobicContact CB-CB 4.21Å; K19-N52 VanDerWaalsContact CB-OD1 3.28Å; K19-N52 WeakPolarHBondContact CB-OD1 3.44Å; K19-N52 WeakPolarHBondContact O-CA 3.33Å; K19-Y53 PolarHBondContact O-N 2.85Å
20N91.5Very high87.5Confident70 Ų7092.7 Ų92.737%0.37451%0.505SS..  trans-134.376.6167.7178.6-126.9000108.5Y53 G55 I60N20-Y53 WeakPolarHBondContact CA-O 3.35Å; N20-Y53 PolarHBondContact ND2-O 2.04Å; N20-G55 PolarHBondContact ND2-O 2.79Å; N20-I60 WeakPolarHBondContact ND2-CD1 3.5Å
21I88.8Confident87.6Confident91 Ų9194.5 Ų94.547%0.46751%0.507SS..  trans-120.6120.7-178.3-57.6176.5000108.1K19 N23 C26 N52K19-I21 HydrophobicContact CB-CG1 4.4Å; K19-I21 HydrophobicContact CD-CD1 4.16Å; I21-N23 HydrophobicContact CG2-CB 4.4Å; I21-C26 PolarHBondContact O-SG 3.38Å; I21-N52 PolarHBondContact N-OD1 2.83Å; I21-N52 PolarHBondContact O-ND2 3.2Å; I21-N52 PolarHBondContact O-OD1 3.01Å
22H85.8Confident88Confident132 Ų13289.4 Ų89.461%0.61148%0.475SS*.  trans-84.2111.8170.8-16383.7000109.1C54H22-C54 PolarHBondContact ND1-O 3.31Å
23N83.6Confident88.4Confident61 Ų6185.9 Ų85.933%0.32645%0.451SS..  trans-138.2-176.6-177.966.6-2.7000110.2I21 T25 C26I21-N23 HydrophobicContact CG2-CB 4.4Å; N23-T25 PolarHBondContact ND2-OG1 2.92Å; N23-T25 VanDerWaalsContact ND2-OG1 3.13Å; N23-T25 PolarHBondContact O-N 2.77Å; N23-T25 PolarHBondContact OD1-N 2.93Å; N23-T25 PolarHBondContact OD1-OG1 3.25Å; N23-C26 WeakPolarHBondContact O-CA 3.3Å; N23-C26 VanDerWaalsContact O-CB 3.26Å; N23-C26 WeakPolarHBondContact O-CB 3.02Å; N23-C26 PolarHBondContact O-N 2.95Å; N23-C26 PolarHBondContact OD1-N 3.2Å
24D84.2Confident88.5Confident172 Ų17281.3 Ų81.392%0.9243%0.432SS*.THydrogen-bonded Turntrans-60-20.3-177.6-58.8-21.9000114.5C26D24-C26 VanDerWaalsContact C-N 3.29Å
25T82.9Confident88.6Confident81 Ų8180 Ų8050%0.49743%0.427SS..THydrogen-bonded Turntrans-76.8-17.7174.152.60000113N23 G27 W33N23-T25 PolarHBondContact ND2-OG1 2.92Å; N23-T25 VanDerWaalsContact ND2-OG1 3.13Å; N23-T25 PolarHBondContact O-N 2.77Å; N23-T25 PolarHBondContact OD1-N 2.93Å; N23-T25 PolarHBondContact OD1-OG1 3.25Å; T25-G27 VanDerWaalsContact C-N 3.3Å; T25-G27 PolarHBondContact O-N 3.04Å; T25-G27 VanDerWaalsContact O-N 3.17Å; T25-W33 PolarHBondContact OG1-NE1 3.37Å; T25-W33 VanDerWaalsContact OG1-NE1 3.12Å
26C85.2Confident88.6Confident8 Ų877.5 Ų77.55%0.05441%0.413CS..SBendtrans-85.967.4173-63.60000110.7I21 N23 D24 C54I21-C26 PolarHBondContact O-SG 3.38Å; N23-C26 WeakPolarHBondContact O-CA 3.3Å; N23-C26 VanDerWaalsContact O-CB 3.26Å; N23-C26 WeakPolarHBondContact O-CB 3.02Å; N23-C26 PolarHBondContact O-N 2.95Å; N23-C26 PolarHBondContact OD1-N 3.2Å; D24-C26 VanDerWaalsContact C-N 3.29Å; C26-C54 WeakPolarHBondContact CA-SG 3.35Å; C26-C54 HydrophobicContact CB-CB 3.44Å; C26-C54 VanDerWaalsContact CB-CB 3.44Å; C26-C54 WeakPolarHBondContact CB-SG 3.38Å; C26-C54 WeakPolarHBondContact SG-CA 3.33Å; C26-C54 WeakPolarHBondContact SG-CB 3.44Å; C26-C54 CovalentContact SG-SG 2.03Å; C26-C54 PolarHBondContact SG-SG 2.82Å
27G80.6Confident88.6Confident39 Ų3977.6 Ų77.640%0.40242%0.419SS..  trans-60.5172.8170.900000112.5T25 D29 V30T25-G27 VanDerWaalsContact C-N 3.3Å; T25-G27 PolarHBondContact O-N 3.04Å; T25-G27 VanDerWaalsContact O-N 3.17Å; G27-D29 PolarHBondContact O-N 2.82Å; G27-V30 PolarHBondContact O-N 2.89Å; G27-V30 VanDerWaalsContact O-N 3.08Å
28E74.8Confident88.5Confident204 Ų20479.4 Ų79.495%0.95343%0.425SS*.THydrogen-bonded Turntrans-54-33.5-172.9-70.6-173.4159.600114.1
29D79.7Confident88.4Confident159 Ų15978.1 Ų78.185%0.8541%0.411SS*.THydrogen-bonded Turntrans-105.59.7-176-61-47.2000113.9G27G27-D29 PolarHBondContact O-N 2.82Å
30V84.2Confident88.2Confident55 Ų5576.1 Ų76.133%0.33341%0.405SS..  trans-96.7109.6-177.1-177.20000110.1G27 A32 C54G27-V30 PolarHBondContact O-N 2.89Å; G27-V30 VanDerWaalsContact O-N 3.08Å; V30-A32 VanDerWaalsContact CG1-O 3.26Å; V30-A32 WeakPolarHBondContact CG1-O 3.46Å; V30-C54 WeakPolarHBondContact O-CB 2.96Å
31I86.7Confident88.1Confident83 Ų8378.9 Ų78.943%0.42643%0.426SS..SBendtrans-78.1-43.3178-58.1174.4000110.8C54 T71I31-C54 WeakPolarHBondContact O-CB 3.45Å; I31-C54 PolarHBondContact O-N 2.94Å; I31-T71 HydrophobicContact CB-CG2 4.46Å; I31-T71 HydrophobicContact CG2-CG2 3.96Å
32A92Very high88Confident10 Ų1080.7 Ų80.78%0.08344%0.442CS..EExtended strand (participates in β ladder)trans-151.9167.1177.900000109.6V30 N52 Y53 T71 E75V30-A32 VanDerWaalsContact CG1-O 3.26Å; V30-A32 WeakPolarHBondContact CG1-O 3.46Å; A32-N52 CarbonylContact C-O 3.55Å; A32-N52 WeakPolarHBondContact CA-O 3.23Å; A32-N52 WeakPolarHBondContact CB-O 3.08Å; A32-Y53 HydrophobicContact CB-CD1 3.94Å; A32-Y53 HydrophobicContact CB-CE1 4.28Å; A32-T71 HydrophobicContact CB-CG2 3.71Å; A32-E75 HydrophobicContact CB-CG 3.74Å
33W93Very high88.1Confident70 Ų7078.1 Ų78.127%0.26544%0.436SS..EExtended strand (participates in β ladder)trans-145.8152.2166.964.7-97.8000109.9T25 V50 N52 E75T25-W33 PolarHBondContact OG1-NE1 3.37Å; T25-W33 VanDerWaalsContact OG1-NE1 3.12Å; W33-V50 HydrophobicContact CH2-CG1 4Å; W33-V50 HydrophobicContact CH2-CG2 4.36Å; W33-V50 HydrophobicContact CZ3-CG1 3.61Å; W33-N52 HydrophobicContact CD2-CB 3.98Å; W33-N52 VanDerWaalsContact CE2-CB 3.4Å; W33-N52 HydrophobicContact CG-CB 4.37Å; W33-N52 HydrophobicContact CH2-CB 4.31Å; W33-N52 HydrophobicContact CZ2-CB 3.58Å; W33-N52 PolarHBondContact N-O 3.12Å; W33-N52 PolarHBondContact NE1-ND2 3.48Å; W33-N52 VanDerWaalsContact NE1-ND2 3.14Å; W33-N52 PolarHBondContact O-N 3.17Å; W33-E75 VanDerWaalsContact CA-OE2 3.31Å; W33-E75 WeakPolarHBondContact CA-OE2 3.11Å
34A94.9Very high88.5Confident11 Ų1176.3 Ų76.39%0.09143%0.432CS..EExtended strand (participates in β ladder)trans-148.9156.817700000113V50 V51 E75 V79A34-V50 WeakPolarHBondContact CA-O 2.98Å; A34-V50 WeakPolarHBondContact CB-O 3.03Å; A34-V51 HydrophobicContact CB-CB 4.29Å; A34-V51 HydrophobicContact CB-CG1 4.47Å; A34-V51 HydrophobicContact CB-CG2 3.84Å; A34-E75 HydrophobicContact CB-CB 3.57Å; A34-E75 HydrophobicContact CB-CG 4.13Å; A34-E75 WeakPolarHBondContact CB-O 3.4Å; A34-E75 VanDerWaalsContact CB-OE2 3.22Å; A34-E75 WeakPolarHBondContact CB-OE2 3.34Å; A34-E75 PolarHBondContact N-OE2 3.49Å; A34-V79 HydrophobicContact CB-CG2 3.89Å
35S95.5Very high88.9Confident29 Ų2969.8 Ų69.820%0.20339%0.394CS..EExtended strand (participates in β ladder)trans-159.1164.4173.7-166.30000110.3G49 V50S35-G49 VanDerWaalsContact O-CA 3.3Å; S35-G49 WeakPolarHBondContact O-CA 3.02Å; S35-V50 PolarHBondContact N-O 3.01Å; S35-V50 VanDerWaalsContact N-O 3.13Å; S35-V50 PolarHBondContact O-N 2.95Å
36F95.9Very high89.5Confident24 Ų2465.9 Ų65.911%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-80.2144.9166.765.8-92.7000110.1K39 P46 V48 H83 D85 I86F36-K39 HydrophobicContact CD2-CD 3.98Å; F36-K39 HydrophobicContact CD2-CG 3.66Å; F36-K39 HydrophobicContact CE2-CD 3.5Å; F36-K39 HydrophobicContact CE2-CG 3.69Å; F36-K39 HydrophobicContact CG-CG 4.5Å; F36-K39 HydrophobicContact CZ-CD 3.95Å; F36-P46 HydrophobicContact CB-CB 3.69Å; F36-P46 HydrophobicContact CB-CG 4.06Å; F36-P46 HydrophobicContact CD1-CG 4.17Å; F36-P46 HydrophobicContact CG-CB 4.2Å; F36-P46 HydrophobicContact CG-CG 4.05Å; F36-V48 CarbonylContact C-O 3.52Å; F36-V48 WeakPolarHBondContact CA-O 3.02Å; F36-H83 HydrophobicContact CD1-CB 4.35Å; F36-H83 HydrophobicContact CE1-CB 3.8Å; F36-H83 AromaticContact CE1-CG 3.74Å; F36-H83 AromaticContact CE1-ND1 3.69Å; F36-D85 HydrophobicContact CZ-CB 4.03Å; F36-I86 HydrophobicContact CE1-CD1 4.2Å; F36-I86 HydrophobicContact CE1-CG1 3.95Å; F36-I86 HydrophobicContact CZ-CD1 4.17Å; F36-I86 HydrophobicContact CZ-CG1 4.36Å
37C95.8Very high90Very high63 Ų6368.1 Ų68.143%0.42638%0.379SS..EExtended strand (participates in β ladder)trans-98.7-39175.2-56.10000111.4V48C37-V48 HydrophobicContact CB-CB 4.3Å; C37-V48 HydrophobicContact CB-CG1 4.07Å; C37-V48 PolarHBondContact N-O 2.9Å
38E94.7Very high90.8Very high113 Ų11367.1 Ų67.153%0.52837%0.365SS..EExtended strand (participates in β ladder)trans-137.9148-175-66.8-65.9168.200111.6P46 F47 V48E38-P46 WeakPolarHBondContact O-CA 3.25Å; E38-F47 HydrophobicContact CB-CD1 4.31Å; E38-F47 HydrophobicContact CB-CE1 3.65Å; E38-F47 HydrophobicContact CB-CE2 4.37Å; E38-F47 HydrophobicContact CB-CZ 3.68Å; E38-F47 PolarHBondContact O-N 3.34Å; E38-V48 HydrophobicContact CB-CB 3.98Å; E38-V48 HydrophobicContact CB-CG2 4.02Å; E38-V48 HydrophobicContact CG-CB 4.38Å; E38-V48 HydrophobicContact CG-CG2 4.38Å; E38-V48 PolarHBondContact N-O 2.79Å; E38-V48 PolarHBondContact O-N 2Å
39K92.9Very high91.9Very high73 Ų7357.4 Ų57.432%0.31732%0.32SS..EExtended strand (participates in β ladder)trans-126.8143.7179.4-63.4-177.9-62.6-178.30110.7F36 R45 P46 I86F36-K39 HydrophobicContact CD2-CD 3.98Å; F36-K39 HydrophobicContact CD2-CG 3.66Å; F36-K39 HydrophobicContact CE2-CD 3.5Å; F36-K39 HydrophobicContact CE2-CG 3.69Å; F36-K39 HydrophobicContact CG-CG 4.5Å; F36-K39 HydrophobicContact CZ-CD 3.95Å; K39-R45 WeakPolarHBondContact CA-O 3.34Å; K39-P46 HydrophobicContact CG-CG 4.46Å; K39-I86 HydrophobicContact CD-CD1 3.64Å
40D90.7Very high92.7Very high51 Ų5150.4 Ų50.427%0.27328%0.283SS..  trans-62.9125.6172.6175.3-83.2000108.8T42 T43 G44 R45 F47D40-T42 PolarHBondContact O-N 3.01Å; D40-T42 WeakPolarHBondContact OD1-CA 3.13Å; D40-T42 WeakPolarHBondContact OD1-CB 3.38Å; D40-T42 PolarHBondContact OD1-N 2.89Å; D40-T43 WeakPolarHBondContact CB-OG1 3.43Å; D40-T43 PolarHBondContact OD1-N 2.84Å; D40-T43 PolarHBondContact OD1-OG1 3.2Å; D40-G44 VanDerWaalsContact O-CA 3.24Å; D40-G44 WeakPolarHBondContact O-CA 3.39Å; D40-G44 PolarHBondContact O-N 3.37Å; D40-R45 PolarHBondContact N-O 2.8Å; D40-F47 HydrophobicContact CB-CD1 4.41Å
41P87.9Confident93.3Very high127 Ų12747.9 Ų47.983%0.82527%0.267SS*.THydrogen-bonded Turntrans-69-16.3-172.126.8-35.1000113.4
42T87.8Confident93.7Very high129 Ų12944 Ų4479%0.79125%0.247SC*.THydrogen-bonded Turntrans-94.6-43.2-177.1-49.80000111.4D40D40-T42 PolarHBondContact O-N 3.01Å; D40-T42 WeakPolarHBondContact OD1-CA 3.13Å; D40-T42 WeakPolarHBondContact OD1-CB 3.38Å; D40-T42 PolarHBondContact OD1-N 2.89Å
43T88.2Confident93.7Very high78 Ų7844.9 Ų44.948%0.47925%0.249SC..THydrogen-bonded Turntrans-99.9-18.7-17462.20000112.9D40 R45D40-T43 WeakPolarHBondContact CB-OG1 3.43Å; D40-T43 PolarHBondContact OD1-N 2.84Å; D40-T43 PolarHBondContact OD1-OG1 3.2Å; T43-R45 PolarHBondContact O-N 3.29Å; T43-R45 WeakPolarHBondContact OG1-CB 3.36Å; T43-R45 PolarHBondContact OG1-N 3.03Å
44G90.4Very high93.7Very high24 Ų2441.7 Ų41.725%0.24724%0.238CC..  trans72.41.9-171.700000114.1D40 P46 M189D40-G44 VanDerWaalsContact O-CA 3.24Å; D40-G44 WeakPolarHBondContact O-CA 3.39Å; D40-G44 PolarHBondContact O-N 3.37Å; G44-P46 WeakPolarHBondContact O-CD 3.43Å; G44-M189 VanDerWaalsContact O-CE 3.31Å; G44-M189 WeakPolarHBondContact O-CE 3.47Å
45R94Very high93.3Very high34 Ų3442.5 Ų42.513%0.12825%0.247CC..  trans-69.1128.3-178-175.7-174.269.386.8-4.5110.6E13 K39 D40 T43 F47 M189 Y190E13-R45 PolarHBondContact O-NH1 2.8Å; E13-R45 PolarHBondContact O-NH2 2.81Å; E13-R45 VanDerWaalsContact O-NH2 3.08Å; K39-R45 WeakPolarHBondContact CA-O 3.34Å; D40-R45 PolarHBondContact N-O 2.8Å; T43-R45 PolarHBondContact O-N 3.29Å; T43-R45 WeakPolarHBondContact OG1-CB 3.36Å; T43-R45 PolarHBondContact OG1-N 3.03Å; R45-F47 PolarHBondContact O-N 2.04Å; R45-M189 HydrophobicContact CB-CB 4.15Å; R45-M189 HydrophobicContact CB-CG 4.16Å; R45-M189 HydrophobicContact CG-CB 4.1Å; R45-Y190 HydrophobicContact CG-CE1 4.15Å
46P95.9Very high92.8Very high0 Ų045.7 Ų45.70%026%0.261CS..EExtended strand (participates in β ladder)trans-56132.8166.7-29.238.7000113F36 E38 K39 G44 V79F36-P46 HydrophobicContact CB-CB 3.69Å; F36-P46 HydrophobicContact CB-CG 4.06Å; F36-P46 HydrophobicContact CD1-CG 4.17Å; F36-P46 HydrophobicContact CG-CB 4.2Å; F36-P46 HydrophobicContact CG-CG 4.05Å; E38-P46 WeakPolarHBondContact O-CA 3.25Å; K39-P46 HydrophobicContact CG-CG 4.46Å; G44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-V79 WeakPolarHBondContact CB-O 3.26Å
47F95.2Very high92.2Very high54 Ų5451 Ų5124%0.23729%0.286CS..EExtended strand (participates in β ladder)trans-133-9.1176.575.6-85.5000114.3I9 L15 E38 D40 R45I9-F47 HydrophobicContact CD1-CD2 3.84Å; I9-F47 HydrophobicContact CD1-CE2 4Å; L15-F47 PolarHBondContact N-O 2.74Å; E38-F47 HydrophobicContact CB-CD1 4.31Å; E38-F47 HydrophobicContact CB-CE1 3.65Å; E38-F47 HydrophobicContact CB-CE2 4.37Å; E38-F47 HydrophobicContact CB-CZ 3.68Å; E38-F47 PolarHBondContact O-N 3.34Å; D40-F47 HydrophobicContact CB-CD1 4.41Å; R45-F47 PolarHBondContact O-N 2.04Å
48V96.5Very high91.7Very high19 Ų1954.5 Ų54.512%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-128.3132.6164.5-173.70000107.6I9 L15 F36 C37 E38I9-V48 HydrophobicContact CD1-CG2 3.64Å; L15-V48 HydrophobicContact CB-CG2 4.48Å; L15-V48 HydrophobicContact CD2-CG1 4.33Å; L15-V48 CarbonylContact O-C 3.52Å; L15-V48 WeakPolarHBondContact O-CA 3.33Å; F36-V48 CarbonylContact C-O 3.52Å; F36-V48 WeakPolarHBondContact CA-O 3.02Å; C37-V48 HydrophobicContact CB-CB 4.3Å; C37-V48 HydrophobicContact CB-CG1 4.07Å; C37-V48 PolarHBondContact N-O 2.9Å; E38-V48 HydrophobicContact CB-CB 3.98Å; E38-V48 HydrophobicContact CB-CG2 4.02Å; E38-V48 HydrophobicContact CG-CB 4.38Å; E38-V48 HydrophobicContact CG-CG2 4.38Å; E38-V48 PolarHBondContact N-O 2.79Å; E38-V48 PolarHBondContact O-N 2Å
49G97.4Very high91.2Very high0 Ų052.6 Ų52.60%029%0.288CS..EExtended strand (participates in β ladder)trans-140172.1171.800000112.6L15 I16 L17 S35L15-G49 PolarHBondContact O-N 2.9Å; I16-G49 WeakPolarHBondContact CA-O 3.45Å; L17-G49 PolarHBondContact N-O 3.37Å; S35-G49 VanDerWaalsContact O-CA 3.3Å; S35-G49 WeakPolarHBondContact O-CA 3.02Å
50V97.1Very high90.7Very high11 Ų1150.8 Ų50.87%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-131.3139.3177.660.70000109L17 K19 W33 A34 S35L17-V50 HydrophobicContact CB-CB 4.41Å; L17-V50 HydrophobicContact CB-CG2 4.35Å; L17-V50 CarbonylContact O-C 3.54Å; L17-V50 VanDerWaalsContact O-CA 3.25Å; L17-V50 WeakPolarHBondContact O-CA 3.4Å; L17-V50 WeakPolarHBondContact O-CG2 3.28Å; K19-V50 HydrophobicContact CD-CG2 3.92Å; K19-V50 HydrophobicContact CG-CG2 4.26Å; W33-V50 HydrophobicContact CH2-CG1 4Å; W33-V50 HydrophobicContact CH2-CG2 4.36Å; W33-V50 HydrophobicContact CZ3-CG1 3.61Å; A34-V50 WeakPolarHBondContact CA-O 2.98Å; A34-V50 WeakPolarHBondContact CB-O 3.03Å; S35-V50 PolarHBondContact N-O 3.01Å; S35-V50 VanDerWaalsContact N-O 3.13Å; S35-V50 PolarHBondContact O-N 2.95Å
51V96.2Very high90.4Very high2 Ų254.8 Ų54.81%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-123126.8168.4179.90000107I16 L17 V18 K19 A34 Y53 E75 L76 V79I16-V51 HydrophobicContact CG2-CG2 3.84Å; L17-V51 PolarHBondContact O-N 3.15Å; V18-V51 CarbonylContact C-O 3.6Å; V18-V51 WeakPolarHBondContact CA-O 3.42Å; K19-V51 PolarHBondContact N-O 3.24Å; A34-V51 HydrophobicContact CB-CB 4.29Å; A34-V51 HydrophobicContact CB-CG1 4.47Å; A34-V51 HydrophobicContact CB-CG2 3.84Å; V51-Y53 HydrophobicContact CG1-CE2 3.99Å; V51-E75 HydrophobicContact CG1-CB 3.95Å; V51-E75 HydrophobicContact CG1-CG 4.2Å; V51-E75 HydrophobicContact CG2-CB 4.3Å; V51-L76 HydrophobicContact CG2-CD2 4.18Å; V51-V79 HydrophobicContact CG2-CG2 4Å
52N95Very high90.3Very high1 Ų154 Ų541%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-121.1123.8176.7-178.880.6000110.5K19 I21 A32 W33K19-N52 HydrophobicContact CB-CB 4.21Å; K19-N52 VanDerWaalsContact CB-OD1 3.28Å; K19-N52 WeakPolarHBondContact CB-OD1 3.44Å; K19-N52 WeakPolarHBondContact O-CA 3.33Å; I21-N52 PolarHBondContact N-OD1 2.83Å; I21-N52 PolarHBondContact O-ND2 3.2Å; I21-N52 PolarHBondContact O-OD1 3.01Å; A32-N52 CarbonylContact C-O 3.55Å; A32-N52 WeakPolarHBondContact CA-O 3.23Å; A32-N52 WeakPolarHBondContact CB-O 3.08Å; W33-N52 HydrophobicContact CD2-CB 3.98Å; W33-N52 VanDerWaalsContact CE2-CB 3.4Å; W33-N52 HydrophobicContact CG-CB 4.37Å; W33-N52 HydrophobicContact CH2-CB 4.31Å; W33-N52 HydrophobicContact CZ2-CB 3.58Å; W33-N52 PolarHBondContact N-O 3.12Å; W33-N52 PolarHBondContact NE1-ND2 3.48Å; W33-N52 VanDerWaalsContact NE1-ND2 3.14Å; W33-N52 PolarHBondContact O-N 3.17Å
53Y93.7Very high90.1Very high29 Ų2950.7 Ų50.711%0.11427%0.274CS..EExtended strand (participates in β ladder)trans-87.6132.2169.9-62.4-83.9000110.2V18 K19 N20 A32 V51 I60 L68 T71 T72V18-Y53 HydrophobicContact CG1-CD2 4.19Å; V18-Y53 HydrophobicContact CG1-CE2 3.86Å; K19-Y53 PolarHBondContact O-N 2.85Å; N20-Y53 WeakPolarHBondContact CA-O 3.35Å; N20-Y53 PolarHBondContact ND2-O 2.04Å; A32-Y53 HydrophobicContact CB-CD1 3.94Å; A32-Y53 HydrophobicContact CB-CE1 4.28Å; V51-Y53 HydrophobicContact CG1-CE2 3.99Å; Y53-I60 HydrophobicContact CG-CD1 4.34Å; Y53-L68 HydrophobicContact CD1-CD1 3.95Å; Y53-L68 HydrophobicContact CE1-CD1 3.51Å; Y53-T71 HydrophobicContact CE1-CG2 4.49Å; Y53-T72 PolarHBondContact OH-OG1 3.14Å
54C92.3Very high89.8Confident4 Ų451.8 Ų51.83%0.02727%0.274CS..  trans-92.6-18.9-174.7-74.40000114H22 C26 V30 I31H22-C54 PolarHBondContact ND1-O 3.31Å; C26-C54 WeakPolarHBondContact CA-SG 3.35Å; C26-C54 HydrophobicContact CB-CB 3.44Å; C26-C54 VanDerWaalsContact CB-CB 3.44Å; C26-C54 WeakPolarHBondContact CB-SG 3.38Å; C26-C54 WeakPolarHBondContact SG-CA 3.33Å; C26-C54 WeakPolarHBondContact SG-CB 3.44Å; C26-C54 CovalentContact SG-SG 2.03Å; C26-C54 PolarHBondContact SG-SG 2.82Å; V30-C54 WeakPolarHBondContact O-CB 2.96Å; I31-C54 WeakPolarHBondContact O-CB 3.45Å; I31-C54 PolarHBondContact O-N 2.94Å
55G86.3Confident89.5Confident28 Ų2857 Ų5729%0.28930%0.297SS..SBendtrans-65.3156.1176.200000112.4N20 I60N20-G55 PolarHBondContact ND2-O 2.79Å; G55-I60 WeakPolarHBondContact O-CD1 3.18Å
56L84.6Confident88.9Confident95 Ų9557.8 Ų57.850%0.49730%0.303SS..  trans-65.5148.4168.1-60.3172000108.9K58 D59 I60L56-K58 HydrophobicContact CB-CG 4.02Å; L56-K58 PolarHBondContact O-N 2.69Å; L56-K58 VanDerWaalsContact O-N 3.11Å; L56-D59 WeakPolarHBondContact CB-OD2 3.31Å; L56-D59 PolarHBondContact O-N 3.19Å; L56-I60 PolarHBondContact O-N 2.81Å
57E83Confident88.3Confident136 Ų13658.9 Ų58.964%0.63631%0.309SS*.Hα-helixtrans-48.5-43.7179.3-174.8-178.9176.700112.5D59 I60 L61E57-D59 VanDerWaalsContact C-N 3.28Å; E57-D59 PolarHBondContact O-N 2.91Å; E57-I60 PolarHBondContact O-N 2.94Å; E57-L61 HydrophobicContact CG-CD1 4.03Å; E57-L61 HydrophobicContact CG-CG 4.45Å; E57-L61 WeakPolarHBondContact O-CB 3.45Å; E57-L61 VanDerWaalsContact O-CG 3.26Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.32Å
58K85.3Confident88Confident137 Ų13758.6 Ų58.660%0.59631%0.31SS*.Hα-helixtrans-60.9-32177.264.9169.7-170.1174.90114.2L56 T62L56-K58 HydrophobicContact CB-CG 4.02Å; L56-K58 PolarHBondContact O-N 2.69Å; L56-K58 VanDerWaalsContact O-N 3.11Å; K58-T62 WeakPolarHBondContact O-CG2 3.46Å; K58-T62 PolarHBondContact O-N 2.78Å; K58-T62 PolarHBondContact O-OG1 2.82Å; K58-T62 VanDerWaalsContact O-OG1 3.09Å
59D85Confident87.7Confident72 Ų7262.2 Ų62.239%0.38533%0.327SS..Hα-helixtrans-82.5-36.1-177.2-57.8-33000108.9L56 E57 T62 T63L56-D59 WeakPolarHBondContact CB-OD2 3.31Å; L56-D59 PolarHBondContact O-N 3.19Å; E57-D59 VanDerWaalsContact C-N 3.28Å; E57-D59 PolarHBondContact O-N 2.91Å; D59-T62 PolarHBondContact O-N 3.21Å; D59-T62 PolarHBondContact O-OG1 3.42Å; D59-T63 PolarHBondContact O-N 2.85Å; D59-T63 PolarHBondContact O-OG1 2.84Å
60I83Confident87.5Confident36 Ų3663 Ų6319%0.18533%0.33CS..Hα-helixtrans-63.8-44.7172.7-63.3169.2000110.4N20 Y53 G55 L56 E57 T62 T63 L68N20-I60 WeakPolarHBondContact ND2-CD1 3.5Å; Y53-I60 HydrophobicContact CG-CD1 4.34Å; G55-I60 WeakPolarHBondContact O-CD1 3.18Å; L56-I60 PolarHBondContact O-N 2.81Å; E57-I60 PolarHBondContact O-N 2.94Å; I60-T62 PolarHBondContact O-N 3.25Å; I60-T63 WeakPolarHBondContact O-CB 3.43Å; I60-T63 PolarHBondContact O-N 3.26Å; I60-T63 VanDerWaalsContact O-N 3.15Å; I60-L68 HydrophobicContact CG2-CD1 4.29Å; I60-L68 HydrophobicContact CG2-CD2 4.31Å
61L84.8Confident87.3Confident135 Ų13563 Ų6371%0.70733%0.331SS*.THydrogen-bonded Turntrans-66.8-17.1179.2-70.2173000113.9E57E57-L61 HydrophobicContact CG-CD1 4.03Å; E57-L61 HydrophobicContact CG-CG 4.45Å; E57-L61 WeakPolarHBondContact O-CB 3.45Å; E57-L61 VanDerWaalsContact O-CG 3.26Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.32Å
62T85.4Confident87.2Confident110 Ų11064.7 Ų64.768%0.67534%0.341SS*.THydrogen-bonded Turntrans-104.2-4.7175.655.70000113.2K58 D59 I60K58-T62 WeakPolarHBondContact O-CG2 3.46Å; K58-T62 PolarHBondContact O-N 2.78Å; K58-T62 PolarHBondContact O-OG1 2.82Å; K58-T62 VanDerWaalsContact O-OG1 3.09Å; D59-T62 PolarHBondContact O-N 3.21Å; D59-T62 PolarHBondContact O-OG1 3.42Å; I60-T62 PolarHBondContact O-N 3.25Å
63T83.9Confident87.3Confident59 Ų5967.7 Ų67.736%0.36236%0.357SS..SBendtrans-70.6139.8173.6-62.30000109.4D59 I60 D67 L68D59-T63 PolarHBondContact O-N 2.85Å; D59-T63 PolarHBondContact O-OG1 2.84Å; I60-T63 WeakPolarHBondContact O-CB 3.43Å; I60-T63 PolarHBondContact O-N 3.26Å; I60-T63 VanDerWaalsContact O-N 3.15Å; T63-D67 HydrophobicContact CG2-CB 3.76Å; T63-L68 HydrophobicContact CG2-CB 4.39Å
64E81.9Confident87.5Confident101 Ų10167.5 Ų67.547%0.47236%0.356SS..  trans-64.6141.4177.5-64.7-74.4153.300110.8D66 D67 L68E64-D66 PolarHBondContact O-N 2.83Å; E64-D66 VanDerWaalsContact O-N 3.16Å; E64-D67 WeakPolarHBondContact O-CB 3.42Å; E64-D67 PolarHBondContact O-N 2.93Å; E64-L68 PolarHBondContact O-N 2.8Å; E64-L68 VanDerWaalsContact O-N 3.16Å
65D82.2Confident87.7Confident135 Ų13567.9 Ų67.972%0.72236%0.358SS*.Hα-helixtrans-54.8-38.7-176-73.5-17.3000112.6D67 L68 M69D65-D67 PolarHBondContact O-N 3.3Å; D65-L68 PolarHBondContact O-N 3.48Å; D65-M69 WeakPolarHBondContact O-CB 3.25Å; D65-M69 PolarHBondContact O-N 3.16Å
66D82.2Confident88.2Confident49 Ų4969 Ų6926%0.26236%0.357SS..Hα-helixtrans-62.1-41.3178.2-74.6-29.2000111.8E64 M69 L70E64-D66 PolarHBondContact O-N 2.83Å; E64-D66 VanDerWaalsContact O-N 3.16Å; D66-M69 PolarHBondContact O-N 2.98Å; D66-L70 VanDerWaalsContact O-CG 3.28Å; D66-L70 WeakPolarHBondContact O-CG 3.33Å; D66-L70 PolarHBondContact O-N 2.98Å
67D84.1Confident88.8Confident23 Ų2364.7 Ų64.712%0.12334%0.336CS..Hα-helixtrans-68.7-42.7-179.5-73.4-40.1000111.2T63 E64 D65 T71 R170T63-D67 HydrophobicContact CG2-CB 3.76Å; E64-D67 WeakPolarHBondContact O-CB 3.42Å; E64-D67 PolarHBondContact O-N 2.93Å; D65-D67 PolarHBondContact O-N 3.3Å; D67-T71 PolarHBondContact O-N 2.91Å; D67-T71 VanDerWaalsContact O-N 3.09Å; D67-T71 PolarHBondContact O-OG1 3.24Å; D67-R170 IonicContact OD1-CZ 2.71Å; D67-R170 IonicContact OD1-NH1 2.84Å; D67-R170 PolarHBondContact OD1-NH1 2.82Å
68L87.9Confident89.5Confident48 Ų4858.6 Ų58.625%0.25131%0.308SS..Hα-helixtrans-67-40.4177.4-17363.8000110.8Y53 I60 T63 E64 D65 T71 T72Y53-L68 HydrophobicContact CD1-CD1 3.95Å; Y53-L68 HydrophobicContact CE1-CD1 3.51Å; I60-L68 HydrophobicContact CG2-CD1 4.29Å; I60-L68 HydrophobicContact CG2-CD2 4.31Å; T63-L68 HydrophobicContact CG2-CB 4.39Å; E64-L68 PolarHBondContact O-N 2.8Å; E64-L68 VanDerWaalsContact O-N 3.16Å; D65-L68 PolarHBondContact O-N 3.48Å; L68-T71 PolarHBondContact O-N 2.7Å; L68-T72 WeakPolarHBondContact O-CB 3.28Å; L68-T72 PolarHBondContact O-N 3.26Å; L68-T72 PolarHBondContact O-OG1 3.24Å
69M91Very high90.1Very high96 Ų9652.1 Ų52.147%0.47328%0.279SS..Hα-helixtrans-61.6-48.6176.2-179.3179.862.900111.4D65 D66 T71 T72 I73D65-M69 WeakPolarHBondContact O-CB 3.25Å; D65-M69 PolarHBondContact O-N 3.16Å; D66-M69 PolarHBondContact O-N 2.98Å; M69-T71 VanDerWaalsContact C-N 3.33Å; M69-T71 PolarHBondContact O-N 3.46Å; M69-T72 WeakPolarHBondContact O-CB 3.04Å; M69-T72 PolarHBondContact O-N 3.18Å; M69-I73 HydrophobicContact CG-CD1 3.81Å; M69-I73 HydrophobicContact CG-CG1 4.4Å; M69-I73 VanDerWaalsContact O-CG1 3.3Å; M69-I73 WeakPolarHBondContact O-CG1 3.31Å; M69-I73 PolarHBondContact O-N 3.15Å
70L92.6Very high90.7Very high15 Ų1551.2 Ų51.28%0.07927%0.274CS..Hα-helixtrans-59.3-45178.1-71.1176.7000111.6D66 T72 I73 H74 I165 N174D66-L70 VanDerWaalsContact O-CG 3.28Å; D66-L70 WeakPolarHBondContact O-CG 3.33Å; D66-L70 PolarHBondContact O-N 2.98Å; L70-T72 VanDerWaalsContact C-N 3.35Å; L70-T72 PolarHBondContact O-N 3.24Å; L70-I73 PolarHBondContact O-N 3.5Å; L70-H74 PolarHBondContact O-N 3.31Å; L70-H74 VanDerWaalsContact O-N 3.08Å; L70-I165 HydrophobicContact CB-CD1 4.4Å; L70-I165 HydrophobicContact CD2-CD1 3.99Å; L70-N174 HydrophobicContact CD2-CB 4.21Å; L70-N174 WeakPolarHBondContact CD2-O 3.37Å
71T92.8Very high91.4Very high12 Ų1249.5 Ų49.57%0.07427%0.265CS..Hα-helixtrans-60.2-46.2175.5-54.50000110.8I31 A32 Y53 D67 L68 M69 I73 H74 E75I31-T71 HydrophobicContact CB-CG2 4.46Å; I31-T71 HydrophobicContact CG2-CG2 3.96Å; A32-T71 HydrophobicContact CB-CG2 3.71Å; Y53-T71 HydrophobicContact CE1-CG2 4.49Å; D67-T71 PolarHBondContact O-N 2.91Å; D67-T71 VanDerWaalsContact O-N 3.09Å; D67-T71 PolarHBondContact O-OG1 3.24Å; L68-T71 PolarHBondContact O-N 2.7Å; M69-T71 VanDerWaalsContact C-N 3.33Å; M69-T71 PolarHBondContact O-N 3.46Å; T71-I73 PolarHBondContact O-N 3.33Å; T71-H74 WeakPolarHBondContact O-CB 3.31Å; T71-H74 PolarHBondContact O-N 3.23Å; T71-E75 WeakPolarHBondContact O-CG 3.46Å; T71-E75 PolarHBondContact O-N 3.2Å
72T94.9Very high92Very high38 Ų3843.1 Ų43.123%0.23323%0.232CC..Hα-helixtrans-59.6-47178.9-52.80000111.4Y53 L68 M69 L70 H74 E75 L76Y53-T72 PolarHBondContact OH-OG1 3.14Å; L68-T72 WeakPolarHBondContact O-CB 3.28Å; L68-T72 PolarHBondContact O-N 3.26Å; L68-T72 PolarHBondContact O-OG1 3.24Å; M69-T72 WeakPolarHBondContact O-CB 3.04Å; M69-T72 PolarHBondContact O-N 3.18Å; L70-T72 VanDerWaalsContact C-N 3.35Å; L70-T72 PolarHBondContact O-N 3.24Å; T72-H74 VanDerWaalsContact C-N 3.33Å; T72-H74 PolarHBondContact O-N 2.78Å; T72-E75 PolarHBondContact O-N 3.25Å; T72-L76 HydrophobicContact CG2-CD1 4.11Å; T72-L76 HydrophobicContact CG2-CG 4.27Å; T72-L76 WeakPolarHBondContact O-CB 3.03Å; T72-L76 VanDerWaalsContact O-CG 3.25Å; T72-L76 WeakPolarHBondContact O-CG 3.26Å; T72-L76 PolarHBondContact O-N 3.38Å
73I96.5Very high92.5Very high64 Ų6439.6 Ų39.633%0.32821%0.208SC..Hα-helixtrans-63.2-41.2-178.6-64.7167000110.6M69 L70 T71 L76 G77 I165 V176M69-I73 HydrophobicContact CG-CD1 3.81Å; M69-I73 HydrophobicContact CG-CG1 4.4Å; M69-I73 VanDerWaalsContact O-CG1 3.3Å; M69-I73 WeakPolarHBondContact O-CG1 3.31Å; M69-I73 PolarHBondContact O-N 3.15Å; L70-I73 PolarHBondContact O-N 3.5Å; T71-I73 PolarHBondContact O-N 3.33Å; I73-L76 PolarHBondContact O-N 2.03Å; I73-G77 PolarHBondContact O-N 2.79Å; I73-I165 HydrophobicContact CB-CG1 4.28Å; I73-I165 HydrophobicContact CG2-CG1 3.86Å; I73-V176 HydrophobicContact CG2-CG2 4.29Å
74H97.4Very high93Very high24 Ų2438.3 Ų38.311%0.11120%0.2CC..Hα-helixtrans-56.7-52.7173.9177.9102.1000111.3L70 T71 T72 L76 G77 H78 H155 I165 T167L70-H74 PolarHBondContact O-N 3.31Å; L70-H74 VanDerWaalsContact O-N 3.08Å; T71-H74 WeakPolarHBondContact O-CB 3.31Å; T71-H74 PolarHBondContact O-N 3.23Å; T72-H74 VanDerWaalsContact C-N 3.33Å; T72-H74 PolarHBondContact O-N 2.78Å; H74-L76 VanDerWaalsContact C-N 3.31Å; H74-L76 PolarHBondContact O-N 2.87Å; H74-G77 WeakPolarHBondContact O-CA 3.44Å; H74-G77 PolarHBondContact O-N 3.15Å; H74-H78 AromaticContact CD2-NE2 3.94Å; H74-H78 AromaticContact NE2-CD2 3.87Å; H74-H78 AromaticContact NE2-NE2 3.34Å; H74-H78 PolarHBondContact NE2-NE2 3.16Å; H74-H78 PolarHBondContact O-N 3.03Å; H74-H155 AromaticContact CE1-CD2 3.54Å; H74-H155 AromaticContact CE1-NE2 3.61Å; H74-H155 AromaticContact NE2-CD2 3.77Å; H74-H155 AromaticContact NE2-NE2 3.38Å; H74-H155 PolarHBondContact NE2-NE2 3.43Å; H74-I165 HydrophobicContact CB-CG1 4.31Å; H74-I165 PolarHBondContact ND1-O 2.9Å; H74-T167 PolarHBondContact CE1-O 3.11Å; H74-T167 VanDerWaalsContact CE1-O 3.26Å
75E97Very high93.6Very high13 Ų1337.9 Ų37.96%0.06120%0.201CC..Hα-helixtrans-62.5-37.9-179.9-69.9-39.5145.400112.7A32 W33 A34 V51 T71 T72 G77 H78 V79A32-E75 HydrophobicContact CB-CG 3.74Å; W33-E75 VanDerWaalsContact CA-OE2 3.31Å; W33-E75 WeakPolarHBondContact CA-OE2 3.11Å; A34-E75 HydrophobicContact CB-CB 3.57Å; A34-E75 HydrophobicContact CB-CG 4.13Å; A34-E75 WeakPolarHBondContact CB-O 3.4Å; A34-E75 VanDerWaalsContact CB-OE2 3.22Å; A34-E75 WeakPolarHBondContact CB-OE2 3.34Å; A34-E75 PolarHBondContact N-OE2 3.49Å; V51-E75 HydrophobicContact CG1-CB 3.95Å; V51-E75 HydrophobicContact CG1-CG 4.2Å; V51-E75 HydrophobicContact CG2-CB 4.3Å; T71-E75 WeakPolarHBondContact O-CG 3.46Å; T71-E75 PolarHBondContact O-N 3.2Å; T72-E75 PolarHBondContact O-N 3.25Å; E75-G77 PolarHBondContact O-N 3.5Å; E75-H78 WeakPolarHBondContact O-CB 3.46Å; E75-H78 PolarHBondContact O-N 3.41Å; E75-H78 VanDerWaalsContact O-N 3.13Å; E75-H78 IonicContact OE2-CD2 3.36Å; E75-V79 PolarHBondContact O-N 3.29Å; E75-V79 VanDerWaalsContact O-N 3.08Å
76L97.1Very high94.2Very high50 Ų5031.5 Ų31.526%0.26217%0.167SC..Hα-helixtrans-63.6-31.5172.5-69.2-178.7000112.2I16 V51 T72 I73 H74 H78 V79 L80I16-L76 HydrophobicContact CD1-CD2 3.54Å; I16-L76 HydrophobicContact CG1-CD2 4.46Å; I16-L76 HydrophobicContact CG2-CD2 4.37Å; V51-L76 HydrophobicContact CG2-CD2 4.18Å; T72-L76 HydrophobicContact CG2-CD1 4.11Å; T72-L76 HydrophobicContact CG2-CG 4.27Å; T72-L76 WeakPolarHBondContact O-CB 3.03Å; T72-L76 VanDerWaalsContact O-CG 3.25Å; T72-L76 WeakPolarHBondContact O-CG 3.26Å; T72-L76 PolarHBondContact O-N 3.38Å; I73-L76 PolarHBondContact O-N 2.03Å; H74-L76 VanDerWaalsContact C-N 3.31Å; H74-L76 PolarHBondContact O-N 2.87Å; L76-H78 VanDerWaalsContact C-N 3.29Å; L76-H78 PolarHBondContact O-N 2.81Å; L76-V79 PolarHBondContact O-N 2.68Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 WeakPolarHBondContact O-CG 3.38Å; L76-L80 PolarHBondContact O-N 3.37Å
77G97.7Very high94.9Very high6 Ų629.3 Ų29.36%0.06216%0.155CC..Hα-helixtrans-56.9-42.5171.400000112.4I73 H74 E75 L80 G81 F82I73-G77 PolarHBondContact O-N 2.79Å; H74-G77 WeakPolarHBondContact O-CA 3.44Å; H74-G77 PolarHBondContact O-N 3.15Å; E75-G77 PolarHBondContact O-N 3.5Å; G77-L80 PolarHBondContact O-N 2.87Å; G77-G81 PolarHBondContact O-N 2.97Å; G77-F82 VanDerWaalsContact O-CB 3.25Å; G77-F82 WeakPolarHBondContact O-CB 3.41Å; G77-F82 PolarHBondContact O-N 3.49Å
78H97.7Very high95.4Very high8 Ų834.9 Ų34.94%0.03718%0.176CC..Hα-helixtrans-66.3-44.5173.8-69.3-45.5000112.7H74 E75 L76 L80 G81 F82 H155 M166H74-H78 AromaticContact CD2-NE2 3.94Å; H74-H78 AromaticContact NE2-CD2 3.87Å; H74-H78 AromaticContact NE2-NE2 3.34Å; H74-H78 PolarHBondContact NE2-NE2 3.16Å; H74-H78 PolarHBondContact O-N 3.03Å; E75-H78 WeakPolarHBondContact O-CB 3.46Å; E75-H78 PolarHBondContact O-N 3.41Å; E75-H78 VanDerWaalsContact O-N 3.13Å; E75-H78 IonicContact OE2-CD2 3.36Å; L76-H78 VanDerWaalsContact C-N 3.29Å; L76-H78 PolarHBondContact O-N 2.81Å; H78-L80 VanDerWaalsContact C-N 3.27Å; H78-L80 PolarHBondContact O-N 3.02Å; H78-G81 PolarHBondContact O-N 2.87Å; H78-F82 PolarHBondContact ND1-O 3.02Å; H78-H155 AromaticContact CE1-CD2 3.8Å; H78-H155 AromaticContact CE1-NE2 3.55Å; H78-H155 AromaticContact NE2-CD2 3.78Å; H78-H155 AromaticContact NE2-NE2 3.18Å; H78-H155 PolarHBondContact NE2-NE2 3.16Å; H78-H155 VanDerWaalsContact NE2-NE2 3.18Å; H78-M166 VanDerWaalsContact CE1-CE 3.41Å; H78-M166 WeakPolarHBondContact CE1-CE 3.03Å
79V97.8Very high95.7Very high0 Ų036.1 Ų36.10%019%0.188CC..Hα-helixtrans-58.3-40.8175.1172.80000111.6L14 A34 P46 V51 E75 L76 G81L14-V79 HydrophobicContact CD1-CG1 3.98Å; L14-V79 HydrophobicContact CD2-CG1 4.13Å; A34-V79 HydrophobicContact CB-CG2 3.89Å; P46-V79 WeakPolarHBondContact CB-O 3.26Å; V51-V79 HydrophobicContact CG2-CG2 4Å; E75-V79 PolarHBondContact O-N 3.29Å; E75-V79 VanDerWaalsContact O-N 3.08Å; L76-V79 PolarHBondContact O-N 2.68Å; V79-G81 PolarHBondContact O-N 3.17Å
80L96.9Very high95.9Very high54 Ų5431.8 Ų31.828%0.28317%0.167SC..THydrogen-bonded Turntrans-72.2-5.6178.6-68.8170000112.9L14 L76 G77 H78 F184 Y190L14-L80 HydrophobicContact CD2-CD2 3.77Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 WeakPolarHBondContact O-CG 3.38Å; L76-L80 PolarHBondContact O-N 3.37Å; G77-L80 PolarHBondContact O-N 2.87Å; H78-L80 VanDerWaalsContact C-N 3.27Å; H78-L80 PolarHBondContact O-N 3.02Å; L80-F184 HydrophobicContact CB-CE1 3.61Å; L80-F184 HydrophobicContact CB-CZ 3.87Å; L80-Y190 WeakPolarHBondContact CA-OH 3.22Å; L80-Y190 HydrophobicContact CD2-CE1 4.03Å; L80-Y190 VanDerWaalsContact O-CE2 3.27Å; L80-Y190 WeakPolarHBondContact O-CE2 3.31Å; L80-Y190 PolarHBondContact O-OH 2.85Å
81G96.5Very high96Very high0 Ų036 Ų360%020%0.195CC..THydrogen-bonded Turntrans108.211.6170.600000114.7G77 H78 V79 H83 I86 Y183G77-G81 PolarHBondContact O-N 2.97Å; H78-G81 PolarHBondContact O-N 2.87Å; V79-G81 PolarHBondContact O-N 3.17Å; G81-H83 PolarHBondContact O-N 3.48Å; G81-I86 VanDerWaalsContact O-CB 3.28Å; G81-I86 WeakPolarHBondContact O-CB 3.47Å; G81-I86 WeakPolarHBondContact O-CG1 3.39Å; G81-Y183 PolarHBondContact O-OH 3.26Å
82F97.8Very high96.2Very high0 Ų039.5 Ų39.50%021%0.214CC..  trans-6974.4163.7-162.5-85000109.4G77 H78 F87 N154 L156 M166 L180 Y183 F184G77-F82 VanDerWaalsContact O-CB 3.25Å; G77-F82 WeakPolarHBondContact O-CB 3.41Å; G77-F82 PolarHBondContact O-N 3.49Å; H78-F82 PolarHBondContact ND1-O 3.02Å; F82-F87 HydrophobicContact CD1-CE1 4.21Å; F82-F87 AromaticContact CD1-CZ 3.59Å; F82-F87 HydrophobicContact CD1-CZ 3.59Å; F82-F87 HydrophobicContact CD2-CE1 4.18Å; F82-F87 HydrophobicContact CD2-CZ 4.28Å; F82-F87 HydrophobicContact CE1-CE1 4.35Å; F82-F87 HydrophobicContact CE1-CE2 4.36Å; F82-F87 AromaticContact CE1-CZ 3.53Å; F82-F87 HydrophobicContact CE1-CZ 3.53Å; F82-F87 HydrophobicContact CE2-CE1 4.33Å; F82-F87 HydrophobicContact CE2-CZ 4.24Å; F82-F87 HydrophobicContact CG-CE1 4.09Å; F82-F87 AromaticContact CG-CZ 3.95Å; F82-F87 HydrophobicContact CG-CZ 3.95Å; F82-F87 HydrophobicContact CZ-CE1 4.38Å; F82-F87 AromaticContact CZ-CZ 3.85Å; F82-F87 HydrophobicContact CZ-CZ 3.85Å; F82-N154 WeakPolarHBondContact CD1-O 3.47Å; F82-N154 VanDerWaalsContact CE1-O 3.28Å; F82-N154 WeakPolarHBondContact CE1-O 3.42Å; F82-L156 HydrophobicContact CE1-CG 4.39Å; F82-L156 HydrophobicContact CE2-CD2 4.16Å; F82-L156 HydrophobicContact CE2-CG 4.27Å; F82-L156 HydrophobicContact CZ-CD1 4.48Å; F82-L156 HydrophobicContact CZ-CD2 3.63Å; F82-L156 HydrophobicContact CZ-CG 3.64Å; F82-M166 HydrophobicContact CB-CE 4.05Å; F82-M166 HydrophobicContact CD1-CB 4.26Å; F82-M166 HydrophobicContact CD1-CE 3.62Å; F82-M166 HydrophobicContact CD1-CG 4.3Å; F82-M166 HydrophobicContact CD2-CG 4.44Å; F82-M166 HydrophobicContact CE1-CB 4.15Å; F82-M166 HydrophobicContact CE1-CE 4.43Å; F82-M166 HydrophobicContact CG-CE 4Å; F82-M166 HydrophobicContact CG-CG 4.23Å; F82-M166 HydrophobicContact CZ-CB 4.38Å; F82-L180 HydrophobicContact CD2-CD1 3.65Å; F82-L180 HydrophobicContact CE2-CD1 3.84Å; F82-L180 HydrophobicContact CG-CD1 4.49Å; F82-Y183 HydrophobicContact CB-CE1 4.15Å; F82-Y183 AromaticContact CD2-CD1 3.51Å; F82-Y183 HydrophobicContact CD2-CD1 3.51Å; F82-Y183 AromaticContact CD2-CE1 3.55Å; F82-Y183 HydrophobicContact CD2-CE1 3.55Å; F82-Y183 HydrophobicContact CD2-CG 4.02Å; F82-Y183 HydrophobicContact CE2-CD1 4.06Å; F82-Y183 HydrophobicContact CE2-CD2 4.4Å; F82-Y183 HydrophobicContact CE2-CE1 4.35Å; F82-Y183 HydrophobicContact CE2-CG 4.09Å; F82-Y183 HydrophobicContact CG-CE1 4.26Å; F82-F184 HydrophobicContact CB-CZ 4.18Å
83H96.3Very high96.3Very high37 Ų3738 Ų3817%0.17120%0.204CC..SBendtrans-148.1143.9-168.2-171.5-90.5000110.7F36 G81 D85 I86 F87F36-H83 HydrophobicContact CD1-CB 4.35Å; F36-H83 HydrophobicContact CE1-CB 3.8Å; F36-H83 AromaticContact CE1-CG 3.74Å; F36-H83 AromaticContact CE1-ND1 3.69Å; G81-H83 PolarHBondContact O-N 3.48Å; H83-D85 VanDerWaalsContact C-N 3.29Å; H83-D85 IonicContact CE1-OD1 3.15Å; H83-D85 IonicContact CE1-OD2 2.65Å; H83-D85 PolarHBondContact CE1-OD2 3.29Å; H83-D85 PolarHBondContact ND1-N 3.31Å; H83-D85 IonicContact ND1-OD2 3.83Å; H83-D85 PolarHBondContact O-N 3.04Å; H83-I86 WeakPolarHBondContact O-CA 3.49Å; H83-I86 WeakPolarHBondContact O-CB 3.36Å; H83-I86 PolarHBondContact O-N 3.43Å; H83-F87 WeakPolarHBondContact O-CD1 3.29Å; H83-F87 WeakPolarHBondContact O-CG 3.41Å; H83-F87 PolarHBondContact O-N 2.87Å
84P95Very high96.4Very high31 Ų3141.5 Ų41.520%0.20122%0.217CC..Hα-helixtrans-50.5-43-179.3-31.337.2000114.6I86 F87 Y88 N154P84-I86 PolarHBondContact O-N 3.38Å; P84-F87 WeakPolarHBondContact O-CB 3.24Å; P84-F87 PolarHBondContact O-N 2.95Å; P84-Y88 HydrophobicContact CB-CD2 4.2Å; P84-Y88 HydrophobicContact CB-CE2 4.13Å; P84-Y88 WeakPolarHBondContact O-CD2 2.87Å; P84-Y88 PolarHBondContact O-N 3.23Å; P84-N154 HydrophobicContact CG-CB 3.58Å
85D94.3Very high96.3Very high93 Ų9345 Ų4550%0.49724%0.242SC..Hα-helixtrans-58.7-33.2178.3-66.1-10.4000112.9F36 H83 S89F36-D85 HydrophobicContact CZ-CB 4.03Å; H83-D85 VanDerWaalsContact C-N 3.29Å; H83-D85 IonicContact CE1-OD1 3.15Å; H83-D85 IonicContact CE1-OD2 2.65Å; H83-D85 PolarHBondContact CE1-OD2 3.29Å; H83-D85 PolarHBondContact ND1-N 3.31Å; H83-D85 IonicContact ND1-OD2 3.83Å; H83-D85 PolarHBondContact O-N 3.04Å; D85-S89 VanDerWaalsContact O-CB 3.31Å; D85-S89 WeakPolarHBondContact O-CB 3.49Å; D85-S89 PolarHBondContact O-N 2.9Å; D85-S89 PolarHBondContact O-OG 2.81Å
86I95.7Very high96.2Very high1 Ų150.3 Ų50.31%0.00527%0.267CS..Hα-helixtrans-76.1-49.4172.8-57.8-53.8000109.4F36 K39 G81 H83 P84 Y88 S89 L90 T187 M189F36-I86 HydrophobicContact CE1-CD1 4.2Å; F36-I86 HydrophobicContact CE1-CG1 3.95Å; F36-I86 HydrophobicContact CZ-CD1 4.17Å; F36-I86 HydrophobicContact CZ-CG1 4.36Å; K39-I86 HydrophobicContact CD-CD1 3.64Å; G81-I86 VanDerWaalsContact O-CB 3.28Å; G81-I86 WeakPolarHBondContact O-CB 3.47Å; G81-I86 WeakPolarHBondContact O-CG1 3.39Å; H83-I86 WeakPolarHBondContact O-CA 3.49Å; H83-I86 WeakPolarHBondContact O-CB 3.36Å; H83-I86 PolarHBondContact O-N 3.43Å; P84-I86 PolarHBondContact O-N 3.38Å; I86-Y88 PolarHBondContact O-N 2.95Å; I86-Y88 VanDerWaalsContact O-N 3.13Å; I86-S89 WeakPolarHBondContact CA-OG 3.45Å; I86-S89 CarbonylContact O-C 3.43Å; I86-S89 PolarHBondContact O-N 2.78Å; I86-S89 PolarHBondContact O-OG 3.1Å; I86-S89 VanDerWaalsContact O-OG 3.08Å; I86-L90 HydrophobicContact CG2-CD2 4.33Å; I86-L90 WeakPolarHBondContact O-CG 3.45Å; I86-L90 PolarHBondContact O-N 3.49Å; I86-T187 HydrophobicContact CG2-CG2 4.45Å; I86-M189 HydrophobicContact CD1-CE 4.24Å; I86-M189 HydrophobicContact CG2-CE 3.9Å
87F95.9Very high96Very high3 Ų350.7 Ų50.71%0.01327%0.266CS..Hα-helixtrans-50.2-45-179.6-54.7-16.3000112.5F82 H83 P84 I107 M128 L151 Y183F82-F87 HydrophobicContact CD1-CE1 4.21Å; F82-F87 AromaticContact CD1-CZ 3.59Å; F82-F87 HydrophobicContact CD1-CZ 3.59Å; F82-F87 HydrophobicContact CD2-CE1 4.18Å; F82-F87 HydrophobicContact CD2-CZ 4.28Å; F82-F87 HydrophobicContact CE1-CE1 4.35Å; F82-F87 HydrophobicContact CE1-CE2 4.36Å; F82-F87 AromaticContact CE1-CZ 3.53Å; F82-F87 HydrophobicContact CE1-CZ 3.53Å; F82-F87 HydrophobicContact CE2-CE1 4.33Å; F82-F87 HydrophobicContact CE2-CZ 4.24Å; F82-F87 HydrophobicContact CG-CE1 4.09Å; F82-F87 AromaticContact CG-CZ 3.95Å; F82-F87 HydrophobicContact CG-CZ 3.95Å; F82-F87 HydrophobicContact CZ-CE1 4.38Å; F82-F87 AromaticContact CZ-CZ 3.85Å; F82-F87 HydrophobicContact CZ-CZ 3.85Å; H83-F87 WeakPolarHBondContact O-CD1 3.29Å; H83-F87 WeakPolarHBondContact O-CG 3.41Å; H83-F87 PolarHBondContact O-N 2.87Å; P84-F87 WeakPolarHBondContact O-CB 3.24Å; P84-F87 PolarHBondContact O-N 2.95Å; F87-I107 HydrophobicContact CB-CD1 4.05Å; F87-I107 HydrophobicContact CB-CG1 3.84Å; F87-M128 HydrophobicContact CB-CE 4.3Å; F87-M128 HydrophobicContact CD1-CE 3.38Å; F87-M128 HydrophobicContact CD2-CE 3.83Å; F87-M128 HydrophobicContact CE1-CE 3.52Å; F87-M128 HydrophobicContact CE2-CE 3.96Å; F87-M128 HydrophobicContact CG-CE 3.57Å; F87-M128 HydrophobicContact CZ-CE 3.83Å; F87-L151 HydrophobicContact CD2-CD1 4.32Å; F87-L151 HydrophobicContact CE2-CD1 4.44Å; F87-Y183 AromaticContact CD1-CE2 3.78Å; F87-Y183 HydrophobicContact CD1-CE2 3.78Å; F87-Y183 AromaticContact CD1-CZ 3.85Å; F87-Y183 WeakPolarHBondContact CD1-OH 3.41Å; F87-Y183 HydrophobicContact CE1-CE1 4.45Å; F87-Y183 AromaticContact CE1-CE2 3.75Å; F87-Y183 HydrophobicContact CE1-CE2 3.75Å; F87-Y183 AromaticContact CE1-CZ 3.59Å; F87-Y183 VanDerWaalsContact CE1-OH 3.29Å; F87-Y183 WeakPolarHBondContact CE1-OH 2.95Å
88Y94.5Very high95.9Very high140 Ų14054.4 Ų54.455%0.54928%0.278SS..THydrogen-bonded Turntrans-83.4-10.7-178.6-66.9-65.3000114.3P84 I86 R105 I107P84-Y88 HydrophobicContact CB-CD2 4.2Å; P84-Y88 HydrophobicContact CB-CE2 4.13Å; P84-Y88 WeakPolarHBondContact O-CD2 2.87Å; P84-Y88 PolarHBondContact O-N 3.23Å; I86-Y88 PolarHBondContact O-N 2.95Å; I86-Y88 VanDerWaalsContact O-N 3.13Å; Y88-R105 VanDerWaalsContact C-NH2 3.34Å; Y88-R105 PolarHBondContact O-NH2 2.85Å; Y88-I107 HydrophobicContact CD1-CB 4.33Å; Y88-I107 HydrophobicContact CD1-CG1 4.43Å; Y88-I107 HydrophobicContact CE1-CB 3.87Å; Y88-I107 HydrophobicContact CE1-CG1 4.23Å; Y88-I107 HydrophobicContact CE1-CG2 3.71Å
89S93.7Very high95.8Very high73 Ų7355.2 Ų55.251%0.5128%0.283SS..THydrogen-bonded Turntrans-98.8-6.4171.958.50000113.6D85 I86D85-S89 VanDerWaalsContact O-CB 3.31Å; D85-S89 WeakPolarHBondContact O-CB 3.49Å; D85-S89 PolarHBondContact O-N 2.9Å; D85-S89 PolarHBondContact O-OG 2.81Å; I86-S89 WeakPolarHBondContact CA-OG 3.45Å; I86-S89 CarbonylContact O-C 3.43Å; I86-S89 PolarHBondContact O-N 2.78Å; I86-S89 PolarHBondContact O-OG 3.1Å; I86-S89 VanDerWaalsContact O-OG 3.08Å
90L95.4Very high95.7Very high6 Ų661.4 Ų61.43%0.03132%0.323CS..SBendtrans-57.5146.3174.6-71.4175.7000111.7I86 R105 P106 L130 Y183 T187I86-L90 HydrophobicContact CG2-CD2 4.33Å; I86-L90 WeakPolarHBondContact O-CG 3.45Å; I86-L90 PolarHBondContact O-N 3.49Å; L90-R105 PolarHBondContact O-NH1 2.97Å; L90-R105 PolarHBondContact O-NH2 3.29Å; L90-P106 HydrophobicContact CB-CG 4.12Å; L90-L130 HydrophobicContact CD1-CD1 3.85Å; L90-L130 HydrophobicContact CD1-CD2 3.84Å; L90-L130 HydrophobicContact CD1-CG 4.44Å; L90-Y183 HydrophobicContact CD1-CE2 4.29Å; L90-T187 HydrophobicContact CD2-CG2 4.16Å
91P95.2Very high95.5Very high103 Ų10363.3 Ų63.367%0.66933%0.334SS*.PPolyproline II helixtrans-58.9156178.5-23.833.8000113.3P106P91-P106 WeakPolarHBondContact O-CG 3.29Å
92D97.2Very high95.3Very high86 Ų8671 Ų7146%0.4637%0.367SS..PPolyproline II helixtrans-61.2140.5172.9-80.1-0.7000111.7P104 R105D92-P104 CarbonylContact C-O 3.55Å; D92-P104 WeakPolarHBondContact CA-O 3.13Å; D92-P104 HydrophobicContact CB-CB 3.95Å; D92-R105 WeakPolarHBondContact OD1-CD 3.4Å; D92-R105 IonicContact OD1-CZ 3.98Å; D92-R105 IonicContact OD1-NE 3.63Å; D92-R105 IonicContact OD1-NH1 2.84Å; D92-R105 PolarHBondContact OD1-NH1 3.18Å
93L97.6Very high95.2Very high7 Ų773.3 Ų73.34%0.03738%0.379CS..PPolyproline II helixtrans-62.5138.1173.9-61.9176.9000110.7F97 R98 P104 P106 R129L93-F97 HydrophobicContact CB-CB 4.33Å; L93-R98 HydrophobicContact CB-CG 4.13Å; L93-R98 PolarHBondContact O-NE 3.33Å; L93-R98 PolarHBondContact O-NH2 3.16Å; L93-P104 WeakPolarHBondContact CB-O 3.47Å; L93-P104 WeakPolarHBondContact CG-O 3.32Å; L93-P104 PolarHBondContact N-O 2.96Å; L93-P106 HydrophobicContact CD2-CB 4.49Å; L93-P106 HydrophobicContact CD2-CG 4.15Å; L93-P106 HydrophobicContact CG-CG 4.25Å; L93-R129 HydrophobicContact CD1-CB 4.4Å; L93-R129 HydrophobicContact CD1-CG 4.26Å; L93-R129 VanDerWaalsContact CD2-O 3.24Å; L93-R129 WeakPolarHBondContact CD2-O 3.04Å
94K96.9Very high95.3Very high137 Ų13773.2 Ų73.260%0.59638%0.382SS*.PPolyproline II helixtrans-61.9150.1168.3-56.3-178.5177.7179.30110.2E96 F97 R98K94-E96 VanDerWaalsContact CB-CD 3.43Å; K94-E96 VanDerWaalsContact CB-OE1 3.3Å; K94-E96 WeakPolarHBondContact CB-OE1 3.38Å; K94-E96 VanDerWaalsContact CB-OE2 3.23Å; K94-E96 WeakPolarHBondContact CB-OE2 3.46Å; K94-E96 WeakPolarHBondContact CD-OE1 3.05Å; K94-E96 PolarHBondContact O-N 2.82Å; K94-E96 VanDerWaalsContact O-N 3.1Å; K94-F97 HydrophobicContact CB-CD2 4.21Å; K94-F97 PolarHBondContact O-N 2.71Å; K94-R98 PolarHBondContact O-N 2.74Å
95P96.3Very high95.4Very high97 Ų9775.2 Ų75.263%0.6339%0.385SS*.G310 helixtrans-49.8-39.2-174.1-29.836.8000115.1F97 R98P95-F97 PolarHBondContact O-N 2.79Å; P95-R98 PolarHBondContact O-N 2.04Å; P95-R98 VanDerWaalsContact O-N 3.1Å
96E94.3Very high95.5Very high125 Ų12570.8 Ų70.858%0.58436%0.362SS*.G310 helixtrans-66-21.6179.866.1-85-162.600114.1K94K94-E96 VanDerWaalsContact CB-CD 3.43Å; K94-E96 VanDerWaalsContact CB-OE1 3.3Å; K94-E96 WeakPolarHBondContact CB-OE1 3.38Å; K94-E96 VanDerWaalsContact CB-OE2 3.23Å; K94-E96 WeakPolarHBondContact CB-OE2 3.46Å; K94-E96 WeakPolarHBondContact CD-OE1 3.05Å; K94-E96 PolarHBondContact O-N 2.82Å; K94-E96 VanDerWaalsContact O-N 3.1Å
97F94.5Very high95.6Very high58 Ų5871.5 Ų71.525%0.25437%0.365SS..G310 helixtrans-96.7-2.6175.1-65.8-77000112.5L93 K94 P95 R129 P131L93-F97 HydrophobicContact CB-CB 4.33Å; K94-F97 HydrophobicContact CB-CD2 4.21Å; K94-F97 PolarHBondContact O-N 2.71Å; P95-F97 PolarHBondContact O-N 2.79Å; F97-R129 PolarHBondContact O-NE 3.08Å; F97-R129 PolarHBondContact O-NH2 2.65Å; F97-P131 HydrophobicContact CD1-CB 4.16Å; F97-P131 HydrophobicContact CD1-CG 4.23Å; F97-P131 HydrophobicContact CD2-CG 4.13Å; F97-P131 HydrophobicContact CE1-CB 3.74Å; F97-P131 HydrophobicContact CE1-CG 4.24Å; F97-P131 HydrophobicContact CE2-CB 4.21Å; F97-P131 HydrophobicContact CE2-CG 4.15Å; F97-P131 HydrophobicContact CG-CG 4.19Å; F97-P131 HydrophobicContact CZ-CB 3.78Å; F97-P131 HydrophobicContact CZ-CG 4.21Å
98R95.6Very high95.7Very high83 Ų8371.7 Ų71.731%0.31337%0.366SS..SBendtrans-76.5148.8179.8-61.4-177.4-171.7-179-1111L93 K94 P95L93-R98 HydrophobicContact CB-CG 4.13Å; L93-R98 PolarHBondContact O-NE 3.33Å; L93-R98 PolarHBondContact O-NH2 3.16Å; K94-R98 PolarHBondContact O-N 2.74Å; P95-R98 PolarHBondContact O-N 2.04Å; P95-R98 VanDerWaalsContact O-N 3.1Å
99L95.2Very high95.8Very high26 Ų2669.7 Ų69.714%0.13637%0.365CS..  trans-70168.2169.1-72.3-176000110.3N101 K102 Q108 I110 I127 P147L99-N101 WeakPolarHBondContact CB-OD1 3.28Å; L99-N101 PolarHBondContact O-N 2.9Å; L99-K102 WeakPolarHBondContact O-CA 3.3Å; L99-K102 PolarHBondContact O-N 2.83Å; L99-Q108 HydrophobicContact CD1-CG 4.42Å; L99-I110 HydrophobicContact CD1-CG2 3.91Å; L99-I127 HydrophobicContact CD1-CD1 4.15Å; L99-P147 HydrophobicContact CD1-CB 4.41Å; L99-P147 HydrophobicContact CD2-CB 4.1Å
100P94Very high95.9Very high129 Ų12967.4 Ų67.484%0.83835%0.347SS*.THydrogen-bonded Turntrans-55.6-26.6179.7-29.236.9000114.9K102P100-K102 PolarHBondContact O-N 3.4Å; P100-K102 VanDerWaalsContact O-N 3.16Å
101N92.8Very high96Very high95 Ų9571 Ų7151%0.50837%0.37SS..THydrogen-bonded Turntrans-67.8-4.8173.467.70.4000113.8L99 N103 Q108L99-N101 WeakPolarHBondContact CB-OD1 3.28Å; L99-N101 PolarHBondContact O-N 2.9Å; N101-N103 PolarHBondContact O-N 3.09Å; N101-N103 VanDerWaalsContact O-N 3.13Å; N101-N103 WeakPolarHBondContact OD1-CB 3.44Å; N101-N103 PolarHBondContact OD1-N 3.13Å; N101-Q108 PolarHBondContact ND2-OE1 3.48Å
102K94.2Very high96Very high161 Ų16167 Ų6770%0.734%0.342SS*.  trans58.317.5-177.2-56-177.9-179.3178.80114.7L99 P100 P104L99-K102 WeakPolarHBondContact O-CA 3.3Å; L99-K102 PolarHBondContact O-N 2.83Å; P100-K102 PolarHBondContact O-N 3.4Å; P100-K102 VanDerWaalsContact O-N 3.16Å; K102-P104 WeakPolarHBondContact O-CD 3.19Å
103N95.3Very high96.1Very high48 Ų4868.9 Ų68.926%0.25735%0.346SS..  trans-61.4123.1176.8-176.1-9.7000109.3N101 R105 Q108N101-N103 PolarHBondContact O-N 3.09Å; N101-N103 VanDerWaalsContact O-N 3.13Å; N101-N103 WeakPolarHBondContact OD1-CB 3.44Å; N101-N103 PolarHBondContact OD1-N 3.13Å; N103-R105 PolarHBondContact OD1-N 3Å; N103-Q108 WeakPolarHBondContact ND2-CB 3.28Å; N103-Q108 PolarHBondContact ND2-OE1 2.74Å
104P97.1Very high96.1Very high36 Ų3668.5 Ų68.523%0.23434%0.344CS..  trans-79.2-16.6-17933.6-37.8000113.4D92 L93 K102D92-P104 CarbonylContact C-O 3.55Å; D92-P104 WeakPolarHBondContact CA-O 3.13Å; D92-P104 HydrophobicContact CB-CB 3.95Å; L93-P104 WeakPolarHBondContact CB-O 3.47Å; L93-P104 WeakPolarHBondContact CG-O 3.32Å; L93-P104 PolarHBondContact N-O 2.96Å; K102-P104 WeakPolarHBondContact O-CD 3.19Å
105R97.6Very high96.1Very high72 Ų7264.7 Ų64.727%0.27233%0.328SS..  trans-77.7140.4-172.9-59.7-56.2-61.4147.64.2112Y88 L90 D92 N103 I107Y88-R105 VanDerWaalsContact C-NH2 3.34Å; Y88-R105 PolarHBondContact O-NH2 2.85Å; L90-R105 PolarHBondContact O-NH1 2.97Å; L90-R105 PolarHBondContact O-NH2 3.29Å; D92-R105 WeakPolarHBondContact OD1-CD 3.4Å; D92-R105 IonicContact OD1-CZ 3.98Å; D92-R105 IonicContact OD1-NE 3.63Å; D92-R105 IonicContact OD1-NH1 2.84Å; D92-R105 PolarHBondContact OD1-NH1 3.18Å; N103-R105 PolarHBondContact OD1-N 3Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-I107 PolarHBondContact O-N 3.44Å
106P97.4Very high96.2Very high0 Ų060.2 Ų60.20%030%0.299CS..SBendtrans-61.3-38.3172.8-26.135.5000113.8L90 P91 L93 R129 L130L90-P106 HydrophobicContact CB-CG 4.12Å; P91-P106 WeakPolarHBondContact O-CG 3.29Å; L93-P106 HydrophobicContact CD2-CB 4.49Å; L93-P106 HydrophobicContact CD2-CG 4.15Å; L93-P106 HydrophobicContact CG-CG 4.25Å; P106-R129 PolarHBondContact O-N 3.43Å; P106-L130 HydrophobicContact CB-CD2 3.65Å; P106-L130 HydrophobicContact CB-CG 4.29Å; P106-L130 HydrophobicContact CG-CD2 3.88Å
107I97.7Very high96.3Very high16 Ų1655.7 Ų55.78%0.08228%0.283CS..EExtended strand (participates in β ladder)trans-91.2126.1176-54-55000109.6F87 Y88 R105 T126 I127 M128 L151F87-I107 HydrophobicContact CB-CD1 4.05Å; F87-I107 HydrophobicContact CB-CG1 3.84Å; Y88-I107 HydrophobicContact CD1-CB 4.33Å; Y88-I107 HydrophobicContact CD1-CG1 4.43Å; Y88-I107 HydrophobicContact CE1-CB 3.87Å; Y88-I107 HydrophobicContact CE1-CG1 4.23Å; Y88-I107 HydrophobicContact CE1-CG2 3.71Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-I107 PolarHBondContact O-N 3.44Å; I107-T126 HydrophobicContact CG2-CG2 3.74Å; I107-I127 WeakPolarHBondContact CA-O 3.03Å; I107-M128 HydrophobicContact CD1-CB 3.69Å; I107-M128 HydrophobicContact CD1-CE 3.86Å; I107-M128 HydrophobicContact CD1-CG 3.7Å; I107-L151 HydrophobicContact CD1-CD1 3.67Å
108Q96.2Very high96.4Very high7 Ų757.4 Ų57.43%0.03329%0.288CS..EExtended strand (participates in β ladder)trans-157.1153.8178.459.1-169.7-3500112.1L99 N101 N103 I127L99-Q108 HydrophobicContact CD1-CG 4.42Å; N101-Q108 PolarHBondContact ND2-OE1 3.48Å; N103-Q108 WeakPolarHBondContact ND2-CB 3.28Å; N103-Q108 PolarHBondContact ND2-OE1 2.74Å; Q108-I127 HydrophobicContact CG-CD1 4.1Å; Q108-I127 HydrophobicContact CG-CG1 3.88Å; Q108-I127 PolarHBondContact N-O 2.98Å; Q108-I127 VanDerWaalsContact N-O 3.12Å; Q108-I127 VanDerWaalsContact O-CG1 3.29Å; Q108-I127 WeakPolarHBondContact O-CG1 3.43Å; Q108-I127 PolarHBondContact O-N 2.98Å
109N96.9Very high96.5Very high99 Ų9955 Ų5553%0.52929%0.288SS..EExtended strand (participates in β ladder)trans-86140.6172.6-65.3-13000110.2K125 T126N109-K125 WeakPolarHBondContact CA-O 3.33Å; N109-T126 PolarHBondContact OD1-OG1 2.84Å; N109-T126 VanDerWaalsContact OD1-OG1 3.07Å
110I96.7Very high96.6Very high24 Ų2459.4 Ų59.412%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-126.7149.9173.160.4166.6000110.3L99 I112 Q124 K125 I127 P147L99-I110 HydrophobicContact CD1-CG2 3.91Å; I110-I112 HydrophobicContact CD1-CD1 3.84Å; I110-I112 HydrophobicContact CD1-CG1 3.87Å; I110-I112 HydrophobicContact CG1-CD1 4.37Å; I110-I112 HydrophobicContact CG1-CG1 4.15Å; I110-Q124 WeakPolarHBondContact O-CA 3.35Å; I110-Q124 PolarHBondContact O-OE1 3.47Å; I110-K125 HydrophobicContact CG1-CB 4.32Å; I110-K125 WeakPolarHBondContact CG1-O 3.35Å; I110-K125 PolarHBondContact N-O 2.81Å; I110-K125 PolarHBondContact O-N 3.31Å; I110-I127 HydrophobicContact CD1-CD1 4.24Å; I110-I127 HydrophobicContact CD1-CG1 4.48Å; I110-I127 HydrophobicContact CD1-CG2 3.68Å; I110-I127 HydrophobicContact CG1-CG1 4.41Å; I110-I127 HydrophobicContact CG1-CG2 3.98Å; I110-I127 HydrophobicContact CG2-CD1 3.72Å; I110-I127 HydrophobicContact CG2-CG1 4.01Å; I110-P147 HydrophobicContact CD1-CB 4.23Å; I110-P147 HydrophobicContact CD1-CG 3.46Å; I110-P147 VanDerWaalsContact CD1-CG 3.46Å
111T97.1Very high96.9Very high83 Ų8355.7 Ų55.751%0.50928%0.281SS..EExtended strand (participates in β ladder)trans-92.9128.7169.7-48.80000109.4D122 I123 Q124T111-D122 HydrophobicContact CG2-CB 3.67Å; T111-I123 CarbonylContact C-O 3.57Å; T111-I123 WeakPolarHBondContact CA-O 3.2Å; T111-Q124 PolarHBondContact OG1-NE2 2.84Å
112I96.2Very high97.1Very high18 Ų1855.6 Ų55.69%0.09228%0.281CS..EExtended strand (participates in β ladder)trans-119136.8175.3-51.9-179.2000108.9I110 W114 I123 K125 M212I110-I112 HydrophobicContact CD1-CD1 3.84Å; I110-I112 HydrophobicContact CD1-CG1 3.87Å; I110-I112 HydrophobicContact CG1-CD1 4.37Å; I110-I112 HydrophobicContact CG1-CG1 4.15Å; I112-W114 HydrophobicContact CG2-CE3 4.03Å; I112-W114 HydrophobicContact CG2-CZ3 4.3Å; I112-W114 PolarHBondContact O-N 3.32Å; I112-I123 HydrophobicContact CB-CG1 4.21Å; I112-I123 PolarHBondContact N-O 3.35Å; I112-I123 PolarHBondContact O-N 2.88Å; I112-K125 HydrophobicContact CD1-CB 4.12Å; I112-K125 HydrophobicContact CD1-CG 3.94Å; I112-M212 WeakPolarHBondContact CG2-O 3.35Å
113K97.5Very high97.2Very high125 Ų12548.5 Ų48.554%0.54325%0.251SS..EExtended strand (participates in β ladder)trans-72.5122.8169.5-69.3-71.5174.4-161.50109.1I120 D122K113-I120 HydrophobicContact CB-CG2 4.41Å; K113-I120 HydrophobicContact CD-CG2 4.07Å; K113-D122 WeakPolarHBondContact CD-OD1 3.28Å; K113-D122 WeakPolarHBondContact CE-OD1 3.49Å; K113-D122 IonicContact NZ-OD1 3.97Å; K113-D122 PolarHBondContact NZ-OD1 2.97Å; K113-D122 IonicContact NZ-OD2 3.72Å; K113-D122 PolarHBondContact NZ-OD2 3.4Å
114W97.6Very high97.3Very high0 Ų051.7 Ų51.70%026%0.264CS..EExtended strand (participates in β ladder)trans-123.5109.9-173.3-151.2-106.6000110.5I112 I120 F121 I123 S214 P263 Y266I112-W114 HydrophobicContact CG2-CE3 4.03Å; I112-W114 HydrophobicContact CG2-CZ3 4.3Å; I112-W114 PolarHBondContact O-N 3.32Å; W114-I120 WeakPolarHBondContact O-CA 3.49Å; W114-F121 PolarHBondContact N-O 3.01Å; W114-F121 PolarHBondContact O-N 2.99Å; W114-I123 HydrophobicContact CB-CD1 3.97Å; W114-I123 HydrophobicContact CB-CG1 3.99Å; W114-I123 HydrophobicContact CB-CG2 3.86Å; W114-I123 HydrophobicContact CD2-CD1 3.31Å; W114-I123 HydrophobicContact CD2-CG1 4.21Å; W114-I123 HydrophobicContact CE3-CD1 3.41Å; W114-I123 VanDerWaalsContact CE3-CD1 3.41Å; W114-I123 HydrophobicContact CE3-CG1 4.17Å; W114-I123 HydrophobicContact CG-CD1 3.61Å; W114-I123 HydrophobicContact CG-CG1 4.19Å; W114-I123 HydrophobicContact CG-CG2 4.25Å; W114-I123 HydrophobicContact CH2-CD1 4.34Å; W114-I123 HydrophobicContact CZ2-CD1 4.28Å; W114-I123 HydrophobicContact CZ3-CD1 3.94Å; W114-S214 VanDerWaalsContact CE2-CB 3.5Å; W114-P263 VanDerWaalsContact CD1-O 3.32Å; W114-Y266 AromaticContact NE1-CE1 3.79Å; W114-Y266 AromaticContact NE1-CZ 3.85Å; W114-Y266 PolarHBondContact NE1-OH 3.45Å
115K98.4Very high97.3Very high56 Ų5651.2 Ų51.224%0.24326%0.258CS..EExtended strand (participates in β ladder)trans-85.6133.1177.4-170.1-176.4-178.8-172.70110.1G119 I120 S214 Y216 E217 E220K115-G119 CarbonylContact C-O 3.53Å; K115-G119 WeakPolarHBondContact CA-O 3.26Å; K115-I120 HydrophobicContact CB-CG1 4.38Å; K115-I120 HydrophobicContact CG-CG1 4.21Å; K115-S214 WeakPolarHBondContact O-CB 3.38Å; K115-S214 PolarHBondContact O-OG 3.1Å; K115-Y216 HydrophobicContact CD-CD1 4.27Å; K115-Y216 HydrophobicContact CD-CE1 4.37Å; K115-Y216 HydrophobicContact CG-CD1 4.08Å; K115-Y216 HydrophobicContact CG-CE1 4.39Å; K115-E217 HydrophobicContact CB-CB 4.16Å; K115-E217 HydrophobicContact CD-CB 4.22Å; K115-E217 HydrophobicContact CD-CG 4.06Å; K115-E220 VanDerWaalsContact NZ-CD 3.31Å; K115-E220 IonicContact NZ-OE1 2.78Å; K115-E220 PolarHBondContact NZ-OE1 3.37Å; K115-E220 VanDerWaalsContact NZ-OE1 3.15Å; K115-E220 IonicContact NZ-OE2 2.79Å; K115-E220 PolarHBondContact NZ-OE2 2.85Å
116S97.8Very high97.3Very high4 Ų450 Ų503%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-125.1-177.9167.582.60000109.8R118 G119 F121 L262 P263 Q265S116-R118 PolarHBondContact O-N 2.98Å; S116-R118 VanDerWaalsContact O-N 3.1Å; S116-R118 PolarHBondContact OG-N 3.4Å; S116-G119 PolarHBondContact N-O 2.77Å; S116-G119 PolarHBondContact O-N 2.95Å; S116-F121 WeakPolarHBondContact OG-CE2 3.47Å; S116-L262 WeakPolarHBondContact CB-O 3.23Å; S116-L262 PolarHBondContact OG-O 2.91Å; S116-P263 WeakPolarHBondContact CB-O 3.1Å; S116-Q265 WeakPolarHBondContact CB-O 3.48Å
117A96.5Very high97.4Very high29 Ų2950.1 Ų50.124%0.2426%0.259CS..THydrogen-bonded Turntrans-66.1-7.4171.900000112.8Y216 Q265 D268A117-Y216 HydrophobicContact CB-CE2 4.21Å; A117-Q265 WeakPolarHBondContact CB-O 3.35Å; A117-Q265 PolarHBondContact N-O 3.09Å; A117-D268 HydrophobicContact CB-CB 4.01Å
118R96.2Very high97.4Very high95 Ų9549.4 Ų49.436%0.35826%0.256SS..THydrogen-bonded Turntrans-106.4-12.6-177.8-56.8-55.6-179.7-154.80.6114.7S116 F121 L262 Q265S116-R118 PolarHBondContact O-N 2.98Å; S116-R118 VanDerWaalsContact O-N 3.1Å; S116-R118 PolarHBondContact OG-N 3.4Å; R118-F121 HydrophobicContact CB-CE2 4.35Å; R118-F121 HydrophobicContact CB-CZ 4.2Å; R118-L262 HydrophobicContact CB-CB 4.45Å; R118-L262 HydrophobicContact CB-CD2 4.26Å; R118-L262 HydrophobicContact CG-CD2 4.08Å; R118-Q265 HydrophobicContact CG-CB 3.87Å; R118-Q265 VanDerWaalsContact CG-OE1 3.28Å
119G97.7Very high97.4Very high31 Ų3150 Ų5032%0.3226%0.258SS..EExtended strand (participates in β ladder)trans149.2-162.5-178.500000112.9K115 S116K115-G119 CarbonylContact C-O 3.53Å; K115-G119 WeakPolarHBondContact CA-O 3.26Å; S116-G119 PolarHBondContact N-O 2.77Å; S116-G119 PolarHBondContact O-N 2.95Å
120I98.5Very high97.5Very high120 Ų12045.8 Ų45.862%0.61524%0.235SC*.EExtended strand (participates in β ladder)trans-115.2127.8176.9-59.6171.3000107.8K113 W114 K115K113-I120 HydrophobicContact CB-CG2 4.41Å; K113-I120 HydrophobicContact CD-CG2 4.07Å; W114-I120 WeakPolarHBondContact O-CA 3.49Å; K115-I120 HydrophobicContact CB-CG1 4.38Å; K115-I120 HydrophobicContact CG-CG1 4.21Å
121F98.5Very high97.5Very high50 Ų5046.6 Ų46.622%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-121.1155.6-176-56.3-89.7000110.3W114 S116 R118 L262 P263W114-F121 PolarHBondContact N-O 3.01Å; W114-F121 PolarHBondContact O-N 2.99Å; S116-F121 WeakPolarHBondContact OG-CE2 3.47Å; R118-F121 HydrophobicContact CB-CE2 4.35Å; R118-F121 HydrophobicContact CB-CZ 4.2Å; F121-L262 HydrophobicContact CE1-CB 3.76Å; F121-L262 HydrophobicContact CE1-CD1 4.24Å; F121-L262 HydrophobicContact CE2-CB 4.28Å; F121-L262 HydrophobicContact CZ-CB 3.51Å; F121-L262 HydrophobicContact CZ-CD1 4.39Å; F121-P263 HydrophobicContact CB-CB 4.14Å; F121-P263 HydrophobicContact CB-CG 3.96Å; F121-P263 HydrophobicContact CD1-CG 3.96Å; F121-P263 HydrophobicContact CD2-CB 4.06Å; F121-P263 HydrophobicContact CD2-CG 4.13Å; F121-P263 HydrophobicContact CG-CB 4.06Å; F121-P263 HydrophobicContact CG-CG 3.73Å
122D98Very high97.6Very high94 Ų9445.1 Ų45.150%0.50323%0.231SC..EExtended strand (participates in β ladder)trans-96.3117.2166.9-78.6-40.5000108.8T111 K113T111-D122 HydrophobicContact CG2-CB 3.67Å; K113-D122 WeakPolarHBondContact CD-OD1 3.28Å; K113-D122 WeakPolarHBondContact CE-OD1 3.49Å; K113-D122 IonicContact NZ-OD1 3.97Å; K113-D122 PolarHBondContact NZ-OD1 2.97Å; K113-D122 IonicContact NZ-OD2 3.72Å; K113-D122 PolarHBondContact NZ-OD2 3.4Å
123I97Very high97.7Very high12 Ų1244.3 Ų44.36%0.06223%0.227CC..EExtended strand (participates in β ladder)trans-111.8144.5176.770169.5000110.7T111 I112 W114 K125 P263T111-I123 CarbonylContact C-O 3.57Å; T111-I123 WeakPolarHBondContact CA-O 3.2Å; I112-I123 HydrophobicContact CB-CG1 4.21Å; I112-I123 PolarHBondContact N-O 3.35Å; I112-I123 PolarHBondContact O-N 2.88Å; W114-I123 HydrophobicContact CB-CD1 3.97Å; W114-I123 HydrophobicContact CB-CG1 3.99Å; W114-I123 HydrophobicContact CB-CG2 3.86Å; W114-I123 HydrophobicContact CD2-CD1 3.31Å; W114-I123 HydrophobicContact CD2-CG1 4.21Å; W114-I123 HydrophobicContact CE3-CD1 3.41Å; W114-I123 VanDerWaalsContact CE3-CD1 3.41Å; W114-I123 HydrophobicContact CE3-CG1 4.17Å; W114-I123 HydrophobicContact CG-CD1 3.61Å; W114-I123 HydrophobicContact CG-CG1 4.19Å; W114-I123 HydrophobicContact CG-CG2 4.25Å; W114-I123 HydrophobicContact CH2-CD1 4.34Å; W114-I123 HydrophobicContact CZ2-CD1 4.28Å; W114-I123 HydrophobicContact CZ3-CD1 3.94Å; I123-K125 HydrophobicContact CD1-CG 4.25Å; I123-K125 HydrophobicContact CG1-CG 4.49Å; I123-P263 HydrophobicContact CG2-CB 4.18Å
124Q97Very high97.7Very high115 Ų11538.5 Ų38.554%0.53720%0.201SC..EExtended strand (participates in β ladder)trans-89.6133.6172.7-66.5-60.9-4700109.8I110 T111I110-Q124 WeakPolarHBondContact O-CA 3.35Å; I110-Q124 PolarHBondContact O-OE1 3.47Å; T111-Q124 PolarHBondContact OG1-NE2 2.84Å
125K97.1Very high97.7Very high26 Ų2641.9 Ų41.911%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-131.1135.8171.6-69.1-70.1179.2167.20109.7N109 I110 I112 I123 Q150 D288N109-K125 WeakPolarHBondContact CA-O 3.33Å; I110-K125 HydrophobicContact CG1-CB 4.32Å; I110-K125 WeakPolarHBondContact CG1-O 3.35Å; I110-K125 PolarHBondContact N-O 2.81Å; I110-K125 PolarHBondContact O-N 3.31Å; I112-K125 HydrophobicContact CD1-CB 4.12Å; I112-K125 HydrophobicContact CD1-CG 3.94Å; I123-K125 HydrophobicContact CD1-CG 4.25Å; I123-K125 HydrophobicContact CG1-CG 4.49Å; K125-Q150 HydrophobicContact CB-CG 4.5Å; K125-D288 IonicContact NZ-OD1 2.74Å; K125-D288 PolarHBondContact NZ-OD1 3.29Å; K125-D288 IonicContact NZ-OD2 3.76Å; K125-D288 PolarHBondContact NZ-OD2 3.4Å
126T97.8Very high97.8Very high47 Ų4740.5 Ų40.529%0.28822%0.22SC..EExtended strand (participates in β ladder)trans-82.6129.7171-51.80000108.5I107 N109 Q150 L151I107-T126 HydrophobicContact CG2-CG2 3.74Å; N109-T126 PolarHBondContact OD1-OG1 2.84Å; N109-T126 VanDerWaalsContact OD1-OG1 3.07Å; T126-Q150 CarbonylContact O-C 3.56Å; T126-Q150 WeakPolarHBondContact O-CA 3.19Å; T126-L151 HydrophobicContact CG2-CD1 4.48Å; T126-L151 PolarHBondContact O-N 3.37Å
127I98Very high97.8Very high1 Ų140.3 Ų40.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-121.5152.3175.958.3160000111.4L99 I107 Q108 I110 P147 I149 Q150L99-I127 HydrophobicContact CD1-CD1 4.15Å; I107-I127 WeakPolarHBondContact CA-O 3.03Å; Q108-I127 HydrophobicContact CG-CD1 4.1Å; Q108-I127 HydrophobicContact CG-CG1 3.88Å; Q108-I127 PolarHBondContact N-O 2.98Å; Q108-I127 VanDerWaalsContact N-O 3.12Å; Q108-I127 VanDerWaalsContact O-CG1 3.29Å; Q108-I127 WeakPolarHBondContact O-CG1 3.43Å; Q108-I127 PolarHBondContact O-N 2.98Å; I110-I127 HydrophobicContact CD1-CD1 4.24Å; I110-I127 HydrophobicContact CD1-CG1 4.48Å; I110-I127 HydrophobicContact CD1-CG2 3.68Å; I110-I127 HydrophobicContact CG1-CG1 4.41Å; I110-I127 HydrophobicContact CG1-CG2 3.98Å; I110-I127 HydrophobicContact CG2-CD1 3.72Å; I110-I127 HydrophobicContact CG2-CG1 4.01Å; I127-P147 HydrophobicContact CD1-CB 3.9Å; I127-P147 HydrophobicContact CD1-CG 4.31Å; I127-P147 WeakPolarHBondContact CD1-O 3.33Å; I127-I149 CarbonylContact C-O 3.54Å; I127-I149 VanDerWaalsContact CA-O 3.29Å; I127-I149 WeakPolarHBondContact CA-O 3.21Å; I127-Q150 HydrophobicContact CG2-CG 4.02Å
128M98Very high97.9Very high2 Ų242.6 Ų42.61%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-103.8124.1163.5-173.7-176.7-70.700109.4F87 I107 L130 M133 G148 I149 L151 Y183F87-M128 HydrophobicContact CB-CE 4.3Å; F87-M128 HydrophobicContact CD1-CE 3.38Å; F87-M128 HydrophobicContact CD2-CE 3.83Å; F87-M128 HydrophobicContact CE1-CE 3.52Å; F87-M128 HydrophobicContact CE2-CE 3.96Å; F87-M128 HydrophobicContact CG-CE 3.57Å; F87-M128 HydrophobicContact CZ-CE 3.83Å; I107-M128 HydrophobicContact CD1-CB 3.69Å; I107-M128 HydrophobicContact CD1-CE 3.86Å; I107-M128 HydrophobicContact CD1-CG 3.7Å; M128-L130 HydrophobicContact CG-CD1 3.94Å; M128-L130 HydrophobicContact CG-CG 4.08Å; M128-L130 HydrophobicContact SD-CD1 3.66Å; M128-L130 HydrophobicContact SD-CG 4.45Å; M128-M133 HydrophobicContact CB-SD 4.39Å; M128-M133 HydrophobicContact CG-SD 4.03Å; M128-M133 HydrophobicContact SD-CE 4.09Å; M128-M133 HydrophobicContact SD-SD 3.65Å; M128-M133 VanDerWaalsContact SD-SD 3.65Å; M128-G148 CarbonylContact O-C 3.59Å; M128-G148 WeakPolarHBondContact O-CA 3.47Å; M128-I149 PolarHBondContact N-O 3.04Å; M128-I149 PolarHBondContact O-N 3.34Å; M128-L151 HydrophobicContact CB-CD1 4.12Å; M128-L151 HydrophobicContact CB-CD2 4.19Å; M128-L151 HydrophobicContact CB-CG 4.14Å; M128-L151 HydrophobicContact CE-CD1 4.1Å; M128-L151 HydrophobicContact CE-CD2 4.1Å; M128-Y183 HydrophobicContact CE-CD2 4.03Å; M128-Y183 HydrophobicContact CE-CE2 3.82Å; M128-Y183 HydrophobicContact SD-CD2 3.38Å; M128-Y183 WeakPolarHBondContact SD-CD2 3.09Å; M128-Y183 HydrophobicContact SD-CE2 3.74Å; M128-Y183 HydrophobicContact SD-CG 4.45Å
129R97.8Very high98Very high20 Ų2045.6 Ų45.68%0.07524%0.236CC..  trans-121.997.6-179.7-176.3177.3179.879.81.5109.5L93 F97 P106 L134 P147L93-R129 HydrophobicContact CD1-CB 4.4Å; L93-R129 HydrophobicContact CD1-CG 4.26Å; L93-R129 VanDerWaalsContact CD2-O 3.24Å; L93-R129 WeakPolarHBondContact CD2-O 3.04Å; F97-R129 PolarHBondContact O-NE 3.08Å; F97-R129 PolarHBondContact O-NH2 2.65Å; P106-R129 PolarHBondContact O-N 3.43Å; R129-L134 HydrophobicContact CG-CD2 4.41Å; R129-L134 VanDerWaalsContact NH1-CD2 3.32Å; R129-P147 WeakPolarHBondContact CD-O 3.37Å; R129-P147 WeakPolarHBondContact CG-O 3.49Å; R129-P147 PolarHBondContact NH1-O 3.42Å
130L97.9Very high98Very high9 Ų945.4 Ų45.45%0.04723%0.227CC..  trans-121.6149.8175.6-63.8166.4000110.8L90 P106 M128 M133 L134 Y183 D186L90-L130 HydrophobicContact CD1-CD1 3.85Å; L90-L130 HydrophobicContact CD1-CD2 3.84Å; L90-L130 HydrophobicContact CD1-CG 4.44Å; P106-L130 HydrophobicContact CB-CD2 3.65Å; P106-L130 HydrophobicContact CB-CG 4.29Å; P106-L130 HydrophobicContact CG-CD2 3.88Å; M128-L130 HydrophobicContact CG-CD1 3.94Å; M128-L130 HydrophobicContact CG-CG 4.08Å; M128-L130 HydrophobicContact SD-CD1 3.66Å; M128-L130 HydrophobicContact SD-CG 4.45Å; L130-M133 HydrophobicContact CB-CB 4.03Å; L130-L134 WeakPolarHBondContact O-CB 3.25Å; L130-L134 PolarHBondContact O-N 2.81Å; L130-Y183 HydrophobicContact CD1-CD2 3.61Å; L130-Y183 HydrophobicContact CD1-CE2 4.09Å; L130-D186 HydrophobicContact CB-CB 3.79Å; L130-D186 WeakPolarHBondContact CB-OD2 3.36Å; L130-D186 HydrophobicContact CD1-CB 3.9Å; L130-D186 HydrophobicContact CD2-CB 4.4Å; L130-D186 HydrophobicContact CG-CB 4.26Å
131P97.6Very high98.1Very high41 Ų4139.7 Ų39.727%0.26620%0.198SC..Hα-helixtrans-57.4-55-170.2-28.236.8000115.6F97 S135F97-P131 HydrophobicContact CD1-CB 4.16Å; F97-P131 HydrophobicContact CD1-CG 4.23Å; F97-P131 HydrophobicContact CD2-CG 4.13Å; F97-P131 HydrophobicContact CE1-CB 3.74Å; F97-P131 HydrophobicContact CE1-CG 4.24Å; F97-P131 HydrophobicContact CE2-CB 4.21Å; F97-P131 HydrophobicContact CE2-CG 4.15Å; F97-P131 HydrophobicContact CG-CG 4.19Å; F97-P131 HydrophobicContact CZ-CB 3.78Å; F97-P131 HydrophobicContact CZ-CG 4.21Å; P131-S135 PolarHBondContact O-N 2.98Å; P131-S135 VanDerWaalsContact O-N 3.12Å
132N98.1Very high98.1Very high53 Ų5339.7 Ų39.728%0.28321%0.212SC..Hα-helixtrans-71.3-41.8-179-66.3-85.3000110.5L134 S135 E136 A182 K185 D186N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 3.31Å; N132-S135 WeakPolarHBondContact O-CB 3.33Å; N132-S135 PolarHBondContact O-N 3.07Å; N132-S135 VanDerWaalsContact O-N 3.12Å; N132-E136 PolarHBondContact O-N 3.29Å; N132-A182 HydrophobicContact CB-CB 4.02Å; N132-K185 HydrophobicContact CB-CD 4.48Å; N132-D186 WeakPolarHBondContact CA-OD2 3.48Å; N132-D186 WeakPolarHBondContact CB-OD1 3.37Å; N132-D186 WeakPolarHBondContact CB-OD2 3.31Å; N132-D186 PolarHBondContact N-OD1 3.41Å; N132-D186 PolarHBondContact N-OD2 2.83Å; N132-D186 PolarHBondContact ND2-OD1 2.62Å
133M98.2Very high98.1Very high0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-57.9-45.1177.8-167.5-169.6-164.500111.3M128 L130 E136 A137 I149 L156 I179 A182 D186M128-M133 HydrophobicContact CB-SD 4.39Å; M128-M133 HydrophobicContact CG-SD 4.03Å; M128-M133 HydrophobicContact SD-CE 4.09Å; M128-M133 HydrophobicContact SD-SD 3.65Å; M128-M133 VanDerWaalsContact SD-SD 3.65Å; L130-M133 HydrophobicContact CB-CB 4.03Å; M133-E136 PolarHBondContact O-N 3.44Å; M133-A137 VanDerWaalsContact O-CB 3.23Å; M133-A137 WeakPolarHBondContact O-CB 3.43Å; M133-A137 PolarHBondContact O-N 3.15Å; M133-I149 HydrophobicContact CE-CB 3.68Å; M133-I149 HydrophobicContact CE-CG1 3.8Å; M133-I149 HydrophobicContact CE-CG2 3.83Å; M133-I149 HydrophobicContact CG-CG1 4.2Å; M133-I149 HydrophobicContact SD-CB 4.29Å; M133-I149 HydrophobicContact SD-CG1 4.17Å; M133-L156 HydrophobicContact CE-CD2 3.74Å; M133-I179 HydrophobicContact CE-CG2 3.98Å; M133-I179 HydrophobicContact CG-CG2 3.75Å; M133-A182 HydrophobicContact CB-CB 4.4Å; M133-D186 PolarHBondContact N-OD2 2.9Å
134L98.1Very high98.1Very high3 Ų340.6 Ų40.62%0.01622%0.217CC..Hα-helixtrans-65.1-38.8176.4-179.364.3000111.8R129 L130 N132 A137 R138 I146R129-L134 HydrophobicContact CG-CD2 4.41Å; R129-L134 VanDerWaalsContact NH1-CD2 3.32Å; L130-L134 WeakPolarHBondContact O-CB 3.25Å; L130-L134 PolarHBondContact O-N 2.81Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 3.31Å; L134-A137 PolarHBondContact O-N 3Å; L134-R138 HydrophobicContact CD1-CG 4.37Å; L134-R138 WeakPolarHBondContact O-CB 2.87Å; L134-R138 WeakPolarHBondContact O-CG 3.42Å; L134-R138 PolarHBondContact O-N 2.85Å; L134-I146 HydrophobicContact CD1-CG2 3.86Å; L134-I146 VanDerWaalsContact CD1-O 3.31Å; L134-I146 WeakPolarHBondContact CD1-O 3.39Å
135S98.4Very high98.1Very high72 Ų7242.2 Ų42.250%0.50323%0.225SC..Hα-helixtrans-62.8-49.7176.9-1760000111.9P131 N132 A137 R138 K139P131-S135 PolarHBondContact O-N 2.98Å; P131-S135 VanDerWaalsContact O-N 3.12Å; N132-S135 WeakPolarHBondContact O-CB 3.33Å; N132-S135 PolarHBondContact O-N 3.07Å; N132-S135 VanDerWaalsContact O-N 3.12Å; S135-A137 VanDerWaalsContact C-N 3.34Å; S135-A137 PolarHBondContact O-N 2.7Å; S135-R138 PolarHBondContact O-N 3.5Å; S135-K139 PolarHBondContact O-N 3.37Å; S135-K139 VanDerWaalsContact O-N 3.15Å
136E98.7Very high98.1Very high26 Ų2641.2 Ų41.212%0.12122%0.22CC..Hα-helixtrans-65.4-37.5177.2-70.5-67.6157.400111.2N132 M133 K139 H140 R178 I179 A182 Y194N132-E136 PolarHBondContact O-N 3.29Å; M133-E136 PolarHBondContact O-N 3.44Å; E136-K139 PolarHBondContact O-N 3.16Å; E136-H140 WeakPolarHBondContact O-CB 3.27Å; E136-H140 PolarHBondContact O-N 3.49Å; E136-R178 HydrophobicContact CG-CB 4.49Å; E136-R178 IonicContact OE1-CZ 3.81Å; E136-R178 IonicContact OE1-NE 2.74Å; E136-R178 IonicContact OE1-NH2 2.71Å; E136-R178 PolarHBondContact OE1-NH2 3.03Å; E136-R178 IonicContact OE2-CZ 3.31Å; E136-R178 IonicContact OE2-NE 3.63Å; E136-R178 PolarHBondContact OE2-NE 2.73Å; E136-R178 IonicContact OE2-NH2 3.38Å; E136-I179 HydrophobicContact CB-CG1 4.23Å; E136-A182 HydrophobicContact CB-CB 4.27Å; E136-A182 HydrophobicContact CG-CB 3.92Å; E136-Y194 HydrophobicContact CG-CE1 4.17Å
137A98.7Very high98.1Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-60.7-47.9174.900000112.7M133 L134 S135 K139 H140 F141 I149 I179M133-A137 VanDerWaalsContact O-CB 3.23Å; M133-A137 WeakPolarHBondContact O-CB 3.43Å; M133-A137 PolarHBondContact O-N 3.15Å; L134-A137 PolarHBondContact O-N 3Å; S135-A137 VanDerWaalsContact C-N 3.34Å; S135-A137 PolarHBondContact O-N 2.7Å; A137-K139 VanDerWaalsContact C-N 3.32Å; A137-K139 PolarHBondContact O-N 3.42Å; A137-H140 PolarHBondContact O-N 2.84Å; A137-F141 HydrophobicContact CB-CD2 4.25Å; A137-F141 HydrophobicContact CB-CE2 4.26Å; A137-F141 WeakPolarHBondContact O-CD2 3.35Å; A137-F141 PolarHBondContact O-N 3.28Å; A137-I149 HydrophobicContact CB-CD1 3.46Å; A137-I149 VanDerWaalsContact CB-CD1 3.46Å; A137-I149 HydrophobicContact CB-CG1 4.13Å; A137-I179 HydrophobicContact CB-CD1 4.27Å; A137-I179 HydrophobicContact CB-CG1 4.48Å
138R98.6Very high98.1Very high78 Ų7840 Ų4029%0.29421%0.214SC..Hα-helixtrans-58.6-45.5177.9-74.8170.1163.8166.3-6.9111.4L134 S135 G142 C143 N144 I146L134-R138 HydrophobicContact CD1-CG 4.37Å; L134-R138 WeakPolarHBondContact O-CB 2.87Å; L134-R138 WeakPolarHBondContact O-CG 3.42Å; L134-R138 PolarHBondContact O-N 2.85Å; S135-R138 PolarHBondContact O-N 3.5Å; R138-G142 VanDerWaalsContact O-CA 3.3Å; R138-G142 WeakPolarHBondContact O-CA 3.27Å; R138-G142 PolarHBondContact O-N 3.25Å; R138-C143 WeakPolarHBondContact CG-O 3.43Å; R138-C143 PolarHBondContact O-N 2.8Å; R138-N144 PolarHBondContact NE-O 3.22Å; R138-N144 PolarHBondContact NH2-O 3.15Å; R138-I146 HydrophobicContact CG-CG2 3.69Å
139K98.6Very high98.1Very high158 Ų15840 Ų4069%0.68721%0.214SC*.Hα-helixtrans-64.1-44.9177.5-176.9-177.6177.1-174.90111.7S135 E136 A137S135-K139 PolarHBondContact O-N 3.37Å; S135-K139 VanDerWaalsContact O-N 3.15Å; E136-K139 PolarHBondContact O-N 3.16Å; A137-K139 VanDerWaalsContact C-N 3.32Å; A137-K139 PolarHBondContact O-N 3.42Å
140H98.5Very high98.1Very high27 Ų2739.4 Ų39.413%0.12521%0.212CC..Hα-helixtrans-66.7-55.5-176.9-17872.3000111.9E136 A137 G142 I179 F200 W202 K204 G205E136-H140 WeakPolarHBondContact O-CB 3.27Å; E136-H140 PolarHBondContact O-N 3.49Å; A137-H140 PolarHBondContact O-N 2.84Å; H140-G142 VanDerWaalsContact C-N 3.31Å; H140-G142 PolarHBondContact O-N 3.41Å; H140-I179 HydrophobicContact CB-CD1 3.99Å; H140-I179 HydrophobicContact CB-CG1 4.49Å; H140-F200 AromaticContact CD2-CE1 3.99Å; H140-F200 AromaticContact CE1-CD1 3.34Å; H140-F200 WeakPolarHBondContact CE1-CD1 3.47Å; H140-F200 AromaticContact CE1-CE1 3.72Å; H140-F200 PolarHBondContact CE1-O 3.08Å; H140-F200 VanDerWaalsContact CE1-O 3.25Å; H140-F200 AromaticContact NE2-CD1 3.42Å; H140-F200 WeakPolarHBondContact NE2-CD1 3.3Å; H140-F200 AromaticContact NE2-CE1 3.27Å; H140-F200 VanDerWaalsContact NE2-CE1 3.27Å; H140-F200 WeakPolarHBondContact NE2-CE1 3.46Å; H140-W202 PolarHBondContact NE2-O 3.12Å; H140-K204 CarbonylContact O-C 3.57Å; H140-K204 VanDerWaalsContact O-CA 3.29Å; H140-K204 WeakPolarHBondContact O-CA 3.41Å; H140-G205 PolarHBondContact O-N 2.77Å
141F98.6Very high98.1Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-76.1-19.3-178-61.3-62.5000113A137 C143 I146 I149 I160 M161 I179 G203 G205 L206 G207 F210 V211A137-F141 HydrophobicContact CB-CD2 4.25Å; A137-F141 HydrophobicContact CB-CE2 4.26Å; A137-F141 WeakPolarHBondContact O-CD2 3.35Å; A137-F141 PolarHBondContact O-N 3.28Å; F141-C143 HydrophobicContact CB-CB 4.41Å; F141-I146 HydrophobicContact CD2-CD1 3.83Å; F141-I146 HydrophobicContact CE2-CD1 4.11Å; F141-I149 HydrophobicContact CE2-CD1 3.82Å; F141-I160 WeakPolarHBondContact CE1-O 3.42Å; F141-I160 WeakPolarHBondContact CZ-O 3.22Å; F141-M161 HydrophobicContact CE2-SD 4.41Å; F141-M161 HydrophobicContact CZ-SD 3.86Å; F141-I179 HydrophobicContact CE2-CD1 3.79Å; F141-I179 HydrophobicContact CZ-CD1 4.04Å; F141-G203 WeakPolarHBondContact CD1-O 3.23Å; F141-G205 CarbonylContact O-C 3.44Å; F141-G205 WeakPolarHBondContact O-CA 3.5Å; F141-L206 PolarHBondContact O-N 3.38Å; F141-G207 WeakPolarHBondContact O-CA 3.27Å; F141-G207 PolarHBondContact O-N 3.1Å; F141-F210 HydrophobicContact CD1-CD1 4.23Å; F141-F210 HydrophobicContact CD1-CE1 4.27Å; F141-F210 HydrophobicContact CE1-CE1 4.11Å; F141-V211 HydrophobicContact CB-CG1 4.01Å; F141-V211 HydrophobicContact CD1-CG1 3.65Å; F141-V211 HydrophobicContact CD2-CG1 3.81Å; F141-V211 HydrophobicContact CE1-CG1 4.06Å; F141-V211 HydrophobicContact CE2-CG1 4.19Å; F141-V211 HydrophobicContact CG-CG1 3.54Å; F141-V211 HydrophobicContact CZ-CG1 4.31Å
142G98.5Very high98Very high50 Ų5041 Ų4152%0.51522%0.218SC..THydrogen-bonded Turntrans69.735.2-170.600000112.2R138 H140R138-G142 VanDerWaalsContact O-CA 3.3Å; R138-G142 WeakPolarHBondContact O-CA 3.27Å; R138-G142 PolarHBondContact O-N 3.25Å; H140-G142 VanDerWaalsContact C-N 3.31Å; H140-G142 PolarHBondContact O-N 3.41Å
143C98.5Very high97.8Very high1 Ų146.9 Ų46.91%0.00724%0.241CC..  trans-130.1104.6-179.3178.30000111.3R138 F141 E145 I146 C208 V211R138-C143 WeakPolarHBondContact CG-O 3.43Å; R138-C143 PolarHBondContact O-N 2.8Å; F141-C143 HydrophobicContact CB-CB 4.41Å; C143-E145 VanDerWaalsContact C-N 3.28Å; C143-E145 PolarHBondContact O-N 3.3Å; C143-I146 HydrophobicContact CB-CB 4.46Å; C143-I146 VanDerWaalsContact O-CG2 3.29Å; C143-I146 WeakPolarHBondContact O-CG2 3.49Å; C143-I146 PolarHBondContact SG-N 2.53Å; C143-I146 VanDerWaalsContact SG-N 3.42Å; C143-C208 WeakPolarHBondContact CA-SG 3.02Å; C143-C208 HydrophobicContact CB-CB 4Å; C143-C208 WeakPolarHBondContact CB-SG 3.41Å; C143-C208 WeakPolarHBondContact SG-CA 3.22Å; C143-C208 WeakPolarHBondContact SG-CB 3.34Å; C143-C208 CovalentContact SG-SG 2.04Å; C143-C208 PolarHBondContact SG-SG 2.03Å; C143-V211 HydrophobicContact CB-CG2 3.92Å
144N97.9Very high97.6Very high124 Ų12449.2 Ų49.266%0.66325%0.254SS*.THydrogen-bonded Turntrans-71.2-24.5179-72.1-30.6000113.4R138 I146R138-N144 PolarHBondContact NE-O 3.22Å; R138-N144 PolarHBondContact NH2-O 3.15Å; N144-I146 VanDerWaalsContact C-N 3.35Å
145E96.7Very high97.5Very high149 Ų14950.1 Ų50.170%0.69626%0.258SS*.THydrogen-bonded Turntrans-83.6-8.1-176-64.2172.7-132.200113.7C143 M212C143-E145 VanDerWaalsContact C-N 3.28Å; C143-E145 PolarHBondContact O-N 3.3Å; E145-M212 HydrophobicContact CB-SD 4.15Å
146I97.5Very high97.5Very high4 Ų446.7 Ų46.72%0.02123%0.234CC..  trans-54.6126-178.2-167.1176.6000110.2L134 R138 F141 C143 N144 G148 I149 V211L134-I146 HydrophobicContact CD1-CG2 3.86Å; L134-I146 VanDerWaalsContact CD1-O 3.31Å; L134-I146 WeakPolarHBondContact CD1-O 3.39Å; R138-I146 HydrophobicContact CG-CG2 3.69Å; F141-I146 HydrophobicContact CD2-CD1 3.83Å; F141-I146 HydrophobicContact CE2-CD1 4.11Å; C143-I146 HydrophobicContact CB-CB 4.46Å; C143-I146 VanDerWaalsContact O-CG2 3.29Å; C143-I146 WeakPolarHBondContact O-CG2 3.49Å; C143-I146 PolarHBondContact SG-N 2.53Å; C143-I146 VanDerWaalsContact SG-N 3.42Å; N144-I146 VanDerWaalsContact C-N 3.35Å; I146-G148 VanDerWaalsContact C-N 3.34Å; I146-G148 WeakPolarHBondContact CG1-O 3.17Å; I146-I149 HydrophobicContact CD1-CD1 4.05Å; I146-V211 HydrophobicContact CB-CG2 4.41Å; I146-V211 HydrophobicContact CD1-CB 4.03Å; I146-V211 HydrophobicContact CD1-CG1 4.06Å; I146-V211 HydrophobicContact CD1-CG2 4.11Å; I146-V211 HydrophobicContact CG1-CB 4.45Å; I146-V211 HydrophobicContact CG1-CG2 4.22Å
147P96.8Very high97.5Very high21 Ų2145.9 Ų45.914%0.13623%0.231CC..  trans-79-20-174.230.2-35.8000112.6L99 I110 I127 R129L99-P147 HydrophobicContact CD1-CB 4.41Å; L99-P147 HydrophobicContact CD2-CB 4.1Å; I110-P147 HydrophobicContact CD1-CB 4.23Å; I110-P147 HydrophobicContact CD1-CG 3.46Å; I110-P147 VanDerWaalsContact CD1-CG 3.46Å; I127-P147 HydrophobicContact CD1-CB 3.9Å; I127-P147 HydrophobicContact CD1-CG 4.31Å; I127-P147 WeakPolarHBondContact CD1-O 3.33Å; R129-P147 WeakPolarHBondContact CD-O 3.37Å; R129-P147 WeakPolarHBondContact CG-O 3.49Å; R129-P147 PolarHBondContact NH1-O 3.42Å
148G97.7Very high97.5Very high3 Ų346 Ų463%0.03123%0.231CC..  trans163.8-178.3-178.300000109.5M128 I146M128-G148 CarbonylContact O-C 3.59Å; M128-G148 WeakPolarHBondContact O-CA 3.47Å; I146-G148 VanDerWaalsContact C-N 3.34Å; I146-G148 WeakPolarHBondContact CG1-O 3.17Å
149I98.4Very high97.4Very high1 Ų142.3 Ų42.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-93.2123.9176.3-61.5-55.9000108.8I127 M128 M133 A137 F141 I146 L156 I160 M161 I179I127-I149 CarbonylContact C-O 3.54Å; I127-I149 VanDerWaalsContact CA-O 3.29Å; I127-I149 WeakPolarHBondContact CA-O 3.21Å; M128-I149 PolarHBondContact N-O 3.04Å; M128-I149 PolarHBondContact O-N 3.34Å; M133-I149 HydrophobicContact CE-CB 3.68Å; M133-I149 HydrophobicContact CE-CG1 3.8Å; M133-I149 HydrophobicContact CE-CG2 3.83Å; M133-I149 HydrophobicContact CG-CG1 4.2Å; M133-I149 HydrophobicContact SD-CB 4.29Å; M133-I149 HydrophobicContact SD-CG1 4.17Å; A137-I149 HydrophobicContact CB-CD1 3.46Å; A137-I149 VanDerWaalsContact CB-CD1 3.46Å; A137-I149 HydrophobicContact CB-CG1 4.13Å; F141-I149 HydrophobicContact CE2-CD1 3.82Å; I146-I149 HydrophobicContact CD1-CD1 4.05Å; I149-L156 HydrophobicContact CG2-CD2 3.68Å; I149-I160 HydrophobicContact CB-CD1 4.45Å; I149-I160 HydrophobicContact CD1-CD1 4.34Å; I149-I160 HydrophobicContact CG2-CD1 3.85Å; I149-M161 HydrophobicContact CD1-SD 4.44Å; I149-M161 HydrophobicContact CG2-CG 3.96Å; I149-M161 HydrophobicContact CG2-SD 4.14Å; I149-I179 HydrophobicContact CD1-CG2 4.17Å; I149-I179 HydrophobicContact CG1-CG2 3.85Å
150Q98.1Very high97.4Very high7 Ų734.8 Ų34.83%0.03319%0.185CC..EExtended strand (participates in β ladder)trans-62.4136176.5-59.5-179.729.300111.2K125 T126 I127 S157 I160 V211K125-Q150 HydrophobicContact CB-CG 4.5Å; T126-Q150 CarbonylContact O-C 3.56Å; T126-Q150 WeakPolarHBondContact O-CA 3.19Å; I127-Q150 HydrophobicContact CG2-CG 4.02Å; Q150-S157 WeakPolarHBondContact O-CB 3.4Å; Q150-S157 PolarHBondContact O-N 3.18Å; Q150-I160 HydrophobicContact CB-CD1 3.68Å; Q150-I160 HydrophobicContact CB-CG1 4.05Å; Q150-I160 HydrophobicContact CG-CD1 3.94Å; Q150-I160 HydrophobicContact CG-CG1 4.46Å; Q150-V211 PolarHBondContact NE2-O 3.26Å
151L98.1Very high97.4Very high16 Ų1633.5 Ų33.58%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-104.5148.5174.5-63.3-179.5000110.6F87 I107 T126 M128 H155 L156F87-L151 HydrophobicContact CD2-CD1 4.32Å; F87-L151 HydrophobicContact CE2-CD1 4.44Å; I107-L151 HydrophobicContact CD1-CD1 3.67Å; T126-L151 HydrophobicContact CG2-CD1 4.48Å; T126-L151 PolarHBondContact O-N 3.37Å; M128-L151 HydrophobicContact CB-CD1 4.12Å; M128-L151 HydrophobicContact CB-CD2 4.19Å; M128-L151 HydrophobicContact CB-CG 4.14Å; M128-L151 HydrophobicContact CE-CD1 4.1Å; M128-L151 HydrophobicContact CE-CD2 4.1Å; L151-H155 CarbonylContact C-O 3.55Å; L151-H155 VanDerWaalsContact CA-O 3.3Å; L151-H155 WeakPolarHBondContact CA-O 3.45Å; L151-H155 WeakPolarHBondContact CD2-O 3.34Å; L151-L156 HydrophobicContact CD2-CD2 4.02Å
152D95.7Very high97.3Very high68 Ų6833.5 Ų33.536%0.36418%0.179SC..EExtended strand (participates in β ladder)trans-11295.2158.9-174.53.4000108N154 H155D152-N154 PolarHBondContact O-N 2.74Å; D152-H155 PolarHBondContact N-O 3.22Å; D152-H155 PolarHBondContact O-N 3.42Å
153K92.9Very high97.3Very high176 Ų17631.1 Ų31.177%0.76516%0.155SC*.THydrogen-bonded Turntrans54.2-105.6-175.3-57.3169.7-173.3167.80112.2
154N93.8Very high97.3Very high50 Ų5031.1 Ų31.127%0.26715%0.154SC..THydrogen-bonded Turntrans-93.43.4-179.860.7-39.6000113.7F82 P84 D152F82-N154 WeakPolarHBondContact CD1-O 3.47Å; F82-N154 VanDerWaalsContact CE1-O 3.28Å; F82-N154 WeakPolarHBondContact CE1-O 3.42Å; P84-N154 HydrophobicContact CG-CB 3.58Å; D152-N154 PolarHBondContact O-N 2.74Å
155H97.7Very high97.3Very high22 Ų2225.4 Ų25.410%0.10212%0.124CC..EExtended strand (participates in β ladder)trans-121166.3-176.4-61.898.2000112.3H74 H78 L151 D152 M166 P168H74-H155 AromaticContact CE1-CD2 3.54Å; H74-H155 AromaticContact CE1-NE2 3.61Å; H74-H155 AromaticContact NE2-CD2 3.77Å; H74-H155 AromaticContact NE2-NE2 3.38Å; H74-H155 PolarHBondContact NE2-NE2 3.43Å; H78-H155 AromaticContact CE1-CD2 3.8Å; H78-H155 AromaticContact CE1-NE2 3.55Å; H78-H155 AromaticContact NE2-CD2 3.78Å; H78-H155 AromaticContact NE2-NE2 3.18Å; H78-H155 PolarHBondContact NE2-NE2 3.16Å; H78-H155 VanDerWaalsContact NE2-NE2 3.18Å; L151-H155 CarbonylContact C-O 3.55Å; L151-H155 VanDerWaalsContact CA-O 3.3Å; L151-H155 WeakPolarHBondContact CA-O 3.45Å; L151-H155 WeakPolarHBondContact CD2-O 3.34Å; D152-H155 PolarHBondContact N-O 3.22Å; D152-H155 PolarHBondContact O-N 3.42Å; H155-M166 WeakPolarHBondContact CB-O 3.45Å; H155-P168 HydrophobicContact CB-CB 4.01Å; H155-P168 HydrophobicContact CB-CG 4.27Å
156L98.4Very high97.3Very high0 Ų018.3 Ų18.30%09%0.091CC..EExtended strand (participates in β ladder)trans-72144.5163-63.4179.1000110.3F82 M133 I149 L151 H158 M161 D164 M166 T167 P168F82-L156 HydrophobicContact CE1-CG 4.39Å; F82-L156 HydrophobicContact CE2-CD2 4.16Å; F82-L156 HydrophobicContact CE2-CG 4.27Å; F82-L156 HydrophobicContact CZ-CD1 4.48Å; F82-L156 HydrophobicContact CZ-CD2 3.63Å; F82-L156 HydrophobicContact CZ-CG 3.64Å; M133-L156 HydrophobicContact CE-CD2 3.74Å; I149-L156 HydrophobicContact CG2-CD2 3.68Å; L151-L156 HydrophobicContact CD2-CD2 4.02Å; L156-H158 PolarHBondContact O-N 2.93Å; L156-M161 HydrophobicContact CB-CB 4.05Å; L156-M161 HydrophobicContact CB-CG 3.93Å; L156-M161 HydrophobicContact CD1-CB 4.5Å; L156-M161 HydrophobicContact CD1-CE 4.12Å; L156-M161 HydrophobicContact CD1-CG 4.12Å; L156-M161 HydrophobicContact CG-CG 4.45Å; L156-D164 HydrophobicContact CD1-CB 4.42Å; L156-D164 WeakPolarHBondContact CD1-OD1 3.16Å; L156-M166 HydrophobicContact CD1-CB 4.09Å; L156-M166 HydrophobicContact CG-CB 4.19Å; L156-M166 PolarHBondContact N-O 2.95Å; L156-T167 HydrophobicContact CB-CG2 4.24Å; L156-P168 VanDerWaalsContact O-CD 3.29Å; L156-P168 WeakPolarHBondContact O-CD 3.11Å
157S98Very high97.4Very high8 Ų818.2 Ų18.26%0.0569%0.09CC..  trans-72124.2178.4176.40000112Q150 R159 I160 M161Q150-S157 WeakPolarHBondContact O-CB 3.4Å; Q150-S157 PolarHBondContact O-N 3.18Å; S157-R159 PolarHBondContact O-N 2.98Å; S157-R159 PolarHBondContact OG-N 3.12Å; S157-I160 PolarHBondContact O-N 3.08Å; S157-M161 WeakPolarHBondContact O-CB 3.31Å; S157-M161 PolarHBondContact O-N 2.89Å
158H98.1Very high97.2Very high2 Ų219.2 Ų19.21%0.00910%0.097CC..Hα-helixtrans-50.8-38.4170.4-101.4-57.3000112.6L156 I160 G162 T167 V169 M286 F287L156-H158 PolarHBondContact O-N 2.93Å; H158-I160 PolarHBondContact O-N 2.7Å; H158-I160 VanDerWaalsContact O-N 3.12Å; H158-G162 PolarHBondContact CE1-O 3.43Å; H158-G162 PolarHBondContact ND1-O 2.04Å; H158-G162 VanDerWaalsContact O-CA 3.29Å; H158-G162 WeakPolarHBondContact O-CA 3.47Å; H158-G162 PolarHBondContact O-N 2.9Å; H158-T167 WeakPolarHBondContact CE1-CB 3.3Å; H158-T167 PolarHBondContact CE1-OG1 2.95Å; H158-T167 WeakPolarHBondContact NE2-CB 3.29Å; H158-T167 PolarHBondContact NE2-OG1 3.26Å; H158-V169 PolarHBondContact CE1-O 3.49Å; H158-V169 VanDerWaalsContact CE1-O 3.28Å; H158-V169 PolarHBondContact NE2-N 2.79Å; H158-V169 PolarHBondContact NE2-O 2.89Å; H158-M286 HydrophobicContact CB-CB 3.97Å; H158-M286 HydrophobicContact CB-CG 4.22Å; H158-M286 WeakPolarHBondContact CB-O 3.48Å; H158-F287 HydrophobicContact CB-CD1 3.93Å; H158-F287 HydrophobicContact CB-CE1 3.83Å; H158-F287 AromaticContact ND1-CE1 3.75Å; H158-F287 AromaticContact ND1-CZ 4Å; H158-F287 WeakPolarHBondContact O-CD1 3.08Å; H158-F287 WeakPolarHBondContact O-CE1 3.17Å
159R97.4Very high97Very high1 Ų122.3 Ų22.30%0.00412%0.115CC..Hα-helixtrans-53-37.8179.6173.157.5-173.367.15.8113.8S157 F210 K213 D288S157-R159 PolarHBondContact O-N 2.98Å; S157-R159 PolarHBondContact OG-N 3.12Å; R159-F210 PolarHBondContact NH1-O 2.94Å; R159-F210 PolarHBondContact NH2-O 2.87Å; R159-K213 PolarHBondContact NH2-O 3.19Å; R159-D288 HydrophobicContact CG-CB 4.46Å; R159-D288 WeakPolarHBondContact CG-OD2 3.29Å
160I97.5Very high96.6Very high1 Ų126.8 Ų26.81%0.00513%0.132CC..Hα-helixtrans-114.1-23.8-177.457.9153.7000113.6F141 I149 Q150 S157 H158 W202 V211F141-I160 WeakPolarHBondContact CE1-O 3.42Å; F141-I160 WeakPolarHBondContact CZ-O 3.22Å; I149-I160 HydrophobicContact CB-CD1 4.45Å; I149-I160 HydrophobicContact CD1-CD1 4.34Å; I149-I160 HydrophobicContact CG2-CD1 3.85Å; Q150-I160 HydrophobicContact CB-CD1 3.68Å; Q150-I160 HydrophobicContact CB-CG1 4.05Å; Q150-I160 HydrophobicContact CG-CD1 3.94Å; Q150-I160 HydrophobicContact CG-CG1 4.46Å; S157-I160 PolarHBondContact O-N 3.08Å; H158-I160 PolarHBondContact O-N 2.7Å; H158-I160 VanDerWaalsContact O-N 3.12Å; I160-W202 VanDerWaalsContact O-CD1 3.24Å; I160-W202 PolarHBondContact O-NE1 2.89Å; I160-V211 HydrophobicContact CG2-CG1 4.49Å
161M98.4Very high96.4Very high0 Ų027.6 Ų27.60%014%0.136CC..Hα-helixtrans-105.6-6.2-178.6-66.7-57.1-58.800113.2F141 I149 L156 S157 N163 D164 T167 I179 F200F141-M161 HydrophobicContact CE2-SD 4.41Å; F141-M161 HydrophobicContact CZ-SD 3.86Å; I149-M161 HydrophobicContact CD1-SD 4.44Å; I149-M161 HydrophobicContact CG2-CG 3.96Å; I149-M161 HydrophobicContact CG2-SD 4.14Å; L156-M161 HydrophobicContact CB-CB 4.05Å; L156-M161 HydrophobicContact CB-CG 3.93Å; L156-M161 HydrophobicContact CD1-CB 4.5Å; L156-M161 HydrophobicContact CD1-CE 4.12Å; L156-M161 HydrophobicContact CD1-CG 4.12Å; L156-M161 HydrophobicContact CG-CG 4.45Å; S157-M161 WeakPolarHBondContact O-CB 3.31Å; S157-M161 PolarHBondContact O-N 2.89Å; M161-N163 PolarHBondContact O-N 3.42Å; M161-N163 VanDerWaalsContact O-N 3.15Å; M161-D164 HydrophobicContact CB-CB 3.93Å; M161-D164 HydrophobicContact CE-CB 3.89Å; M161-D164 VanDerWaalsContact CE-OD2 3.29Å; M161-D164 WeakPolarHBondContact CE-OD2 3.04Å; M161-D164 WeakPolarHBondContact O-CB 3.32Å; M161-D164 PolarHBondContact O-N 3.36Å; M161-T167 HydrophobicContact CB-CG2 3.94Å; M161-I179 HydrophobicContact CE-CB 4Å; M161-I179 HydrophobicContact CE-CD1 3.93Å; M161-I179 HydrophobicContact CE-CG2 4.16Å; M161-I179 HydrophobicContact SD-CD1 3.95Å; M161-I179 HydrophobicContact SD-CG2 4.37Å; M161-F200 HydrophobicContact CE-CE1 3.97Å; M161-F200 HydrophobicContact CE-CZ 4Å; M161-F200 VanDerWaalsContact O-CE2 3.28Å; M161-F200 WeakPolarHBondContact O-CE2 3.45Å; M161-F200 WeakPolarHBondContact O-CZ 3.33Å
162G98Very high96.1Very high0 Ų028.4 Ų28.40%014%0.139CC..THydrogen-bonded Turntrans50.9-120.8167.700000113.2H158 D164 T167 W202H158-G162 PolarHBondContact CE1-O 3.43Å; H158-G162 PolarHBondContact ND1-O 2.04Å; H158-G162 VanDerWaalsContact O-CA 3.29Å; H158-G162 WeakPolarHBondContact O-CA 3.47Å; H158-G162 PolarHBondContact O-N 2.9Å; G162-D164 PolarHBondContact O-N 2.79Å; G162-T167 VanDerWaalsContact O-CG2 3.28Å; G162-T167 WeakPolarHBondContact O-CG2 3.21Å; G162-T167 PolarHBondContact O-OG1 2.02Å; G162-W202 VanDerWaalsContact CA-CD2 3.44Å
163N97.5Very high96Very high0 Ų025.1 Ų25.10%012%0.122CC..THydrogen-bonded Turntrans-83.728.1177.767.3-30.5000114.9M161 L171 S173 N174 L175 F200 D245 M295M161-N163 PolarHBondContact O-N 3.42Å; M161-N163 VanDerWaalsContact O-N 3.15Å; N163-L171 HydrophobicContact CB-CD1 3.99Å; N163-S173 VanDerWaalsContact CB-O 3.26Å; N163-S173 WeakPolarHBondContact CB-O 3.44Å; N163-N174 CarbonylContact O-C 3.58Å; N163-N174 WeakPolarHBondContact O-CA 3.18Å; N163-L175 PolarHBondContact O-N 3.16Å; N163-F200 WeakPolarHBondContact OD1-CE2 3.39Å; N163-D245 PolarHBondContact ND2-OD2 3.21Å; N163-M295 HydrophobicContact CB-CE 4.49Å
164D98.5Very high96.1Very high0 Ų017.1 Ų17.10%09%0.087CC..BIsolated β-bridgetrans-64.3144.3167.6-172.1-72.8000109.7L156 M161 G162 M166 T167 N174 L175 S177 F200L156-D164 HydrophobicContact CD1-CB 4.42Å; L156-D164 WeakPolarHBondContact CD1-OD1 3.16Å; M161-D164 HydrophobicContact CB-CB 3.93Å; M161-D164 HydrophobicContact CE-CB 3.89Å; M161-D164 VanDerWaalsContact CE-OD2 3.29Å; M161-D164 WeakPolarHBondContact CE-OD2 3.04Å; M161-D164 WeakPolarHBondContact O-CB 3.32Å; M161-D164 PolarHBondContact O-N 3.36Å; G162-D164 PolarHBondContact O-N 2.79Å; D164-M166 PolarHBondContact O-N 3.04Å; D164-M166 PolarHBondContact OD1-N 3.34Å; D164-T167 HydrophobicContact CB-CG2 4.13Å; D164-T167 PolarHBondContact O-N 2.9Å; D164-T167 PolarHBondContact O-OG1 3.31Å; D164-N174 PolarHBondContact O-ND2 3.26Å; D164-N174 VanDerWaalsContact O-ND2 3.09Å; D164-L175 CarbonylContact C-O 3.54Å; D164-L175 WeakPolarHBondContact CA-O 3.31Å; D164-S177 WeakPolarHBondContact OD2-CB 3.38Å; D164-S177 PolarHBondContact OD2-OG 3.14Å; D164-F200 HydrophobicContact CB-CE2 4.09Å; D164-F200 HydrophobicContact CB-CZ 4.34Å
165I97.8Very high96.2Very high5 Ų515.2 Ų15.23%0.0268%0.077CC..THydrogen-bonded Turntrans-61.8-27.9-178.1-161.365.6000113.2L70 I73 H74 T167 N174 L175 V176 L180L70-I165 HydrophobicContact CB-CD1 4.4Å; L70-I165 HydrophobicContact CD2-CD1 3.99Å; I73-I165 HydrophobicContact CB-CG1 4.28Å; I73-I165 HydrophobicContact CG2-CG1 3.86Å; H74-I165 HydrophobicContact CB-CG1 4.31Å; H74-I165 PolarHBondContact ND1-O 2.9Å; I165-T167 VanDerWaalsContact C-N 3.33Å; I165-T167 PolarHBondContact O-N 2.89Å; I165-N174 HydrophobicContact CB-CB 4.46Å; I165-N174 HydrophobicContact CD1-CB 3.43Å; I165-N174 VanDerWaalsContact CD1-CB 3.43Å; I165-L175 PolarHBondContact N-O 3.39Å; I165-V176 HydrophobicContact CG2-CG2 4.09Å; I165-L180 HydrophobicContact CG2-CD2 3.34Å
166M98Very high96.3Very high0 Ų015.7 Ų15.70%08%0.082CC..THydrogen-bonded Turntrans-94.222.9179-64.7-49.8-55.800113.9H78 F82 H155 L156 D164 L180H78-M166 VanDerWaalsContact CE1-CE 3.41Å; H78-M166 WeakPolarHBondContact CE1-CE 3.03Å; F82-M166 HydrophobicContact CB-CE 4.05Å; F82-M166 HydrophobicContact CD1-CB 4.26Å; F82-M166 HydrophobicContact CD1-CE 3.62Å; F82-M166 HydrophobicContact CD1-CG 4.3Å; F82-M166 HydrophobicContact CD2-CG 4.44Å; F82-M166 HydrophobicContact CE1-CB 4.15Å; F82-M166 HydrophobicContact CE1-CE 4.43Å; F82-M166 HydrophobicContact CG-CE 4Å; F82-M166 HydrophobicContact CG-CG 4.23Å; F82-M166 HydrophobicContact CZ-CB 4.38Å; H155-M166 WeakPolarHBondContact CB-O 3.45Å; L156-M166 HydrophobicContact CD1-CB 4.09Å; L156-M166 HydrophobicContact CG-CB 4.19Å; L156-M166 PolarHBondContact N-O 2.95Å; D164-M166 PolarHBondContact O-N 3.04Å; D164-M166 PolarHBondContact OD1-N 3.34Å; M166-L180 HydrophobicContact CB-CD1 4.12Å; M166-L180 HydrophobicContact CB-CD2 4.36Å; M166-L180 HydrophobicContact CG-CD1 3.45Å; M166-L180 VanDerWaalsContact CG-CD1 3.45Å; M166-L180 HydrophobicContact CG-CD2 3.52Å; M166-L180 HydrophobicContact CG-CG 4.12Å
167T97.9Very high96.3Very high2 Ų215.7 Ų15.71%0.0128%0.082CC..SBendtrans-84.7151.816857.20000111H74 L156 H158 M161 G162 D164 I165 V169H74-T167 PolarHBondContact CE1-O 3.11Å; H74-T167 VanDerWaalsContact CE1-O 3.26Å; L156-T167 HydrophobicContact CB-CG2 4.24Å; H158-T167 WeakPolarHBondContact CE1-CB 3.3Å; H158-T167 PolarHBondContact CE1-OG1 2.95Å; H158-T167 WeakPolarHBondContact NE2-CB 3.29Å; H158-T167 PolarHBondContact NE2-OG1 3.26Å; M161-T167 HydrophobicContact CB-CG2 3.94Å; G162-T167 VanDerWaalsContact O-CG2 3.28Å; G162-T167 WeakPolarHBondContact O-CG2 3.21Å; G162-T167 PolarHBondContact O-OG1 2.02Å; D164-T167 HydrophobicContact CB-CG2 4.13Å; D164-T167 PolarHBondContact O-N 2.9Å; D164-T167 PolarHBondContact O-OG1 3.31Å; I165-T167 VanDerWaalsContact C-N 3.33Å; I165-T167 PolarHBondContact O-N 2.89Å; T167-V169 PolarHBondContact O-N 3.09Å
168P93.7Very high96.3Very high42 Ų4219.5 Ų19.527%0.27310%0.095SC..SBendtrans-72.8-28.4-164.425.3-34.4000114.6H155 L156H155-P168 HydrophobicContact CB-CB 4.01Å; H155-P168 HydrophobicContact CB-CG 4.27Å; L156-P168 VanDerWaalsContact O-CD 3.29Å; L156-P168 WeakPolarHBondContact O-CD 3.11Å
169V92.8Very high96.3Very high68 Ų6819.5 Ų19.541%0.41210%0.095SC..SBendtrans-105.5124.6-179.1-177.70000109.1H158 T167 L171 M286H158-V169 PolarHBondContact CE1-O 3.49Å; H158-V169 VanDerWaalsContact CE1-O 3.28Å; H158-V169 PolarHBondContact NE2-N 2.79Å; H158-V169 PolarHBondContact NE2-O 2.89Å; T167-V169 PolarHBondContact O-N 3.09Å; V169-L171 PolarHBondContact O-N 3.3Å; V169-M286 HydrophobicContact CB-SD 3.74Å; V169-M286 HydrophobicContact CG1-SD 3.85Å; V169-M286 HydrophobicContact CG2-CB 4.32Å; V169-M286 HydrophobicContact CG2-SD 4.01Å
170R91.3Very high96.4Very high95 Ų9519.7 Ų19.736%0.35810%0.096SC..  trans-63.9129.7173.9-171.9179.86985.7-5.8109.9D67D67-R170 IonicContact OD1-CZ 2.71Å; D67-R170 IonicContact OD1-NH1 2.84Å; D67-R170 PolarHBondContact OD1-NH1 2.82Å
171L92.5Very high96.4Very high24 Ų2421 Ų2113%0.12610%0.103CC..  trans-104.9168.8172.3-55.8-177000109.2N163 V169 S173 N174 M286 F287N163-L171 HydrophobicContact CB-CD1 3.99Å; V169-L171 PolarHBondContact O-N 3.3Å; L171-S173 PolarHBondContact O-N 2.74Å; L171-N174 PolarHBondContact N-OD1 3.08Å; L171-N174 PolarHBondContact O-OD1 3.43Å; L171-M286 HydrophobicContact CD2-CE 3.59Å; L171-M286 HydrophobicContact CD2-SD 4.23Å; L171-F287 HydrophobicContact CD1-CZ 4.41Å
172E91.9Very high96.4Very high32 Ų3221 Ų2115%0.1510%0.103CC..SBendtrans-58.4-19.5175.7-59.4-54.6149.900113.7M295 L297 P303 V305 F308E172-M295 HydrophobicContact CB-CB 3.65Å; E172-M295 HydrophobicContact CB-CG 4.5Å; E172-M295 HydrophobicContact CB-SD 4.13Å; E172-M295 HydrophobicContact CG-CB 3.7Å; E172-L297 WeakPolarHBondContact OE2-CD2 3.35Å; E172-P303 HydrophobicContact CB-CB 4.17Å; E172-P303 WeakPolarHBondContact OE2-CB 3.24Å; E172-P303 WeakPolarHBondContact OE2-CG 3.38Å; E172-V305 HydrophobicContact CB-CG2 4.06Å; E172-F308 VanDerWaalsContact O-CE2 3.23Å; E172-F308 WeakPolarHBondContact O-CE2 3.42Å; E172-F308 WeakPolarHBondContact O-CZ 3.46Å
173S93.3Very high96.5Very high0 Ų021 Ų210%010%0.103CC..SBendtrans-145.3130.1171.4172.80000107.2N163 L171 D245 M295 R307N163-S173 VanDerWaalsContact CB-O 3.26Å; N163-S173 WeakPolarHBondContact CB-O 3.44Å; L171-S173 PolarHBondContact O-N 2.74Å; S173-D245 WeakPolarHBondContact CB-OD2 3.48Å; S173-D245 PolarHBondContact OG-OD2 2.89Å; S173-M295 VanDerWaalsContact CB-SD 3.6Å; S173-R307 PolarHBondContact OG-NH2 2.7Å
174N95.8Very high96.5Very high7 Ų721.8 Ų21.84%0.03711%0.107CC..  trans-126.8149.9168.7-73.797.7000109.1L70 N163 D164 I165 L171L70-N174 HydrophobicContact CD2-CB 4.21Å; L70-N174 WeakPolarHBondContact CD2-O 3.37Å; N163-N174 CarbonylContact O-C 3.58Å; N163-N174 WeakPolarHBondContact O-CA 3.18Å; D164-N174 PolarHBondContact O-ND2 3.26Å; D164-N174 VanDerWaalsContact O-ND2 3.09Å; I165-N174 HydrophobicContact CB-CB 4.46Å; I165-N174 HydrophobicContact CD1-CB 3.43Å; I165-N174 VanDerWaalsContact CD1-CB 3.43Å; L171-N174 PolarHBondContact N-OD1 3.08Å; L171-N174 PolarHBondContact O-OD1 3.43Å
175L96.5Very high96.4Very high11 Ų1126 Ų266%0.05813%0.125CC..BIsolated β-bridgetrans-134.6144.3-170.7-61.7177.7000111.2N163 D164 I165 S177 D198 F200N163-L175 PolarHBondContact O-N 3.16Å; D164-L175 CarbonylContact C-O 3.54Å; D164-L175 WeakPolarHBondContact CA-O 3.31Å; I165-L175 PolarHBondContact N-O 3.39Å; L175-S177 PolarHBondContact O-N 3.35Å; L175-D198 WeakPolarHBondContact CA-OD2 3.44Å; L175-D198 HydrophobicContact CB-CB 3.8Å; L175-D198 HydrophobicContact CD2-CB 3.9Å; L175-D198 HydrophobicContact CG-CB 4.28Å; L175-F200 HydrophobicContact CB-CD2 4.23Å; L175-F200 HydrophobicContact CD1-CD2 4.46Å
176V98Very high96.4Very high31 Ų3127.1 Ų27.119%0.18813%0.131CC..  trans-81.4103.6173.2-178.90000109I73 I165 L180 L181 D198I73-V176 HydrophobicContact CG2-CG2 4.29Å; I165-V176 HydrophobicContact CG2-CG2 4.09Å; V176-L180 HydrophobicContact CG1-CD2 4.45Å; V176-L181 HydrophobicContact CG1-CD1 4.3Å; V176-L181 HydrophobicContact CG1-CD2 3.8Å; V176-L181 HydrophobicContact CG1-CG 3.87Å; V176-D198 PolarHBondContact N-OD2 3.15Å; V176-D198 PolarHBondContact O-N 2.87Å
177S98.6Very high96.3Very high1 Ų127.8 Ų27.81%0.00714%0.135CC..  trans-78.4155.7178.579.30000112.9D164 L175 I179 L180 L181D164-S177 WeakPolarHBondContact OD2-CB 3.38Å; D164-S177 PolarHBondContact OD2-OG 3.14Å; L175-S177 PolarHBondContact O-N 3.35Å; S177-I179 PolarHBondContact O-N 3.31Å; S177-I179 WeakPolarHBondContact OG-CB 3.2Å; S177-I179 PolarHBondContact OG-N 3.22Å; S177-L180 PolarHBondContact O-N 2.82Å; S177-L180 PolarHBondContact OG-N 2.64Å; S177-L181 PolarHBondContact O-N 3.34Å; S177-L181 VanDerWaalsContact O-N 3.08Å
178R98.6Very high96.2Very high87 Ų8734.9 Ų34.933%0.32817%0.173SC..Hα-helixtrans-59.8-26.6167.8-64.217963.189.49.9112.8E136 A182 Y194 A197E136-R178 HydrophobicContact CG-CB 4.49Å; E136-R178 IonicContact OE1-CZ 3.81Å; E136-R178 IonicContact OE1-NE 2.74Å; E136-R178 IonicContact OE1-NH2 2.71Å; E136-R178 PolarHBondContact OE1-NH2 3.03Å; E136-R178 IonicContact OE2-CZ 3.31Å; E136-R178 IonicContact OE2-NE 3.63Å; E136-R178 PolarHBondContact OE2-NE 2.73Å; E136-R178 IonicContact OE2-NH2 3.38Å; R178-A182 VanDerWaalsContact O-CB 3.3Å; R178-A182 WeakPolarHBondContact O-CB 3.1Å; R178-A182 PolarHBondContact O-N 3.39Å; R178-Y194 HydrophobicContact CB-CD1 4.24Å; R178-Y194 HydrophobicContact CG-CD1 4.46Å; R178-Y194 VanDerWaalsContact CZ-CB 3.46Å; R178-Y194 PolarHBondContact NH1-O 2.87Å; R178-Y194 VanDerWaalsContact NH1-O 3.16Å; R178-A197 HydrophobicContact CB-CB 4.47Å; R178-A197 HydrophobicContact CG-CB 3.44Å; R178-A197 VanDerWaalsContact CG-CB 3.44Å
179I98.7Very high96.1Very high2 Ų234.3 Ų34.31%0.0117%0.167CC..Hα-helixtrans-69-46.1178.6-61.7170.9000109.5M133 E136 A137 H140 F141 I149 M161 S177 A182 Y183M133-I179 HydrophobicContact CE-CG2 3.98Å; M133-I179 HydrophobicContact CG-CG2 3.75Å; E136-I179 HydrophobicContact CB-CG1 4.23Å; A137-I179 HydrophobicContact CB-CD1 4.27Å; A137-I179 HydrophobicContact CB-CG1 4.48Å; H140-I179 HydrophobicContact CB-CD1 3.99Å; H140-I179 HydrophobicContact CB-CG1 4.49Å; F141-I179 HydrophobicContact CE2-CD1 3.79Å; F141-I179 HydrophobicContact CZ-CD1 4.04Å; I149-I179 HydrophobicContact CD1-CG2 4.17Å; I149-I179 HydrophobicContact CG1-CG2 3.85Å; M161-I179 HydrophobicContact CE-CB 4Å; M161-I179 HydrophobicContact CE-CD1 3.93Å; M161-I179 HydrophobicContact CE-CG2 4.16Å; M161-I179 HydrophobicContact SD-CD1 3.95Å; M161-I179 HydrophobicContact SD-CG2 4.37Å; S177-I179 PolarHBondContact O-N 3.31Å; S177-I179 WeakPolarHBondContact OG-CB 3.2Å; S177-I179 PolarHBondContact OG-N 3.22Å; I179-A182 WeakPolarHBondContact O-CB 3.03Å; I179-A182 PolarHBondContact O-N 3.09Å; I179-Y183 PolarHBondContact O-N 2.87Å; I179-Y183 VanDerWaalsContact O-N 3.14Å
180L98.6Very high96.2Very high5 Ų533.6 Ų33.63%0.02616%0.157CC..Hα-helixtrans-62.1-46.3173.9173.163.4000111.7F82 I165 M166 V176 S177 A182 Y183 F184F82-L180 HydrophobicContact CD2-CD1 3.65Å; F82-L180 HydrophobicContact CE2-CD1 3.84Å; F82-L180 HydrophobicContact CG-CD1 4.49Å; I165-L180 HydrophobicContact CG2-CD2 3.34Å; M166-L180 HydrophobicContact CB-CD1 4.12Å; M166-L180 HydrophobicContact CB-CD2 4.36Å; M166-L180 HydrophobicContact CG-CD1 3.45Å; M166-L180 VanDerWaalsContact CG-CD1 3.45Å; M166-L180 HydrophobicContact CG-CD2 3.52Å; M166-L180 HydrophobicContact CG-CG 4.12Å; V176-L180 HydrophobicContact CG1-CD2 4.45Å; S177-L180 PolarHBondContact O-N 2.82Å; S177-L180 PolarHBondContact OG-N 2.64Å; L180-A182 PolarHBondContact O-N 3.36Å; L180-Y183 VanDerWaalsContact O-CB 3.27Å; L180-Y183 WeakPolarHBondContact O-CB 3.44Å; L180-Y183 PolarHBondContact O-N 2.93Å; L180-F184 HydrophobicContact CD1-CD2 4.46Å; L180-F184 HydrophobicContact CD1-CE2 3.97Å; L180-F184 HydrophobicContact CG-CD2 4.48Å; L180-F184 HydrophobicContact CG-CE2 4.18Å; L180-F184 PolarHBondContact O-N 3.24Å
181L98.6Very high96.4Very high29 Ų2937.2 Ų37.215%0.15218%0.184CC..Hα-helixtrans-59.6-36.8176.4-70-174.5000111.9V176 S177 Y183 F184 K185 V192 Y194 A197V176-L181 HydrophobicContact CG1-CD1 4.3Å; V176-L181 HydrophobicContact CG1-CD2 3.8Å; V176-L181 HydrophobicContact CG1-CG 3.87Å; S177-L181 PolarHBondContact O-N 3.34Å; S177-L181 VanDerWaalsContact O-N 3.08Å; L181-Y183 VanDerWaalsContact C-N 3.31Å; L181-Y183 PolarHBondContact O-N 3.08Å; L181-F184 PolarHBondContact O-N 3.32Å; L181-K185 PolarHBondContact O-N 3.01Å; L181-K185 VanDerWaalsContact O-N 3.12Å; L181-V192 HydrophobicContact CB-CG1 3.67Å; L181-V192 HydrophobicContact CD1-CG1 4.42Å; L181-V192 HydrophobicContact CG-CG1 4.45Å; L181-V192 WeakPolarHBondContact O-CG2 3.1Å; L181-Y194 HydrophobicContact CB-CD1 4.16Å; L181-Y194 HydrophobicContact CB-CE1 4.19Å; L181-A197 HydrophobicContact CD1-CB 3.81Å
182A98.5Very high96.6Very high0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-66.6-30.1175.600000113.5N132 M133 E136 R178 I179 L180 K185 D186 Y194N132-A182 HydrophobicContact CB-CB 4.02Å; M133-A182 HydrophobicContact CB-CB 4.4Å; E136-A182 HydrophobicContact CB-CB 4.27Å; E136-A182 HydrophobicContact CG-CB 3.92Å; R178-A182 VanDerWaalsContact O-CB 3.3Å; R178-A182 WeakPolarHBondContact O-CB 3.1Å; R178-A182 PolarHBondContact O-N 3.39Å; I179-A182 WeakPolarHBondContact O-CB 3.03Å; I179-A182 PolarHBondContact O-N 3.09Å; L180-A182 PolarHBondContact O-N 3.36Å; A182-K185 WeakPolarHBondContact O-CB 3.06Å; A182-K185 PolarHBondContact O-N 2.84Å; A182-D186 PolarHBondContact O-N 2.95Å; A182-Y194 HydrophobicContact CB-CE1 3.97Å
183Y98.4Very high96.9Very high0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-58.1-50.6168.9161.2-92.1000110.9G81 F82 F87 L90 M128 L130 I179 L180 L181 K185 D186 T187G81-Y183 PolarHBondContact O-OH 3.26Å; F82-Y183 HydrophobicContact CB-CE1 4.15Å; F82-Y183 AromaticContact CD2-CD1 3.51Å; F82-Y183 HydrophobicContact CD2-CD1 3.51Å; F82-Y183 AromaticContact CD2-CE1 3.55Å; F82-Y183 HydrophobicContact CD2-CE1 3.55Å; F82-Y183 HydrophobicContact CD2-CG 4.02Å; F82-Y183 HydrophobicContact CE2-CD1 4.06Å; F82-Y183 HydrophobicContact CE2-CD2 4.4Å; F82-Y183 HydrophobicContact CE2-CE1 4.35Å; F82-Y183 HydrophobicContact CE2-CG 4.09Å; F82-Y183 HydrophobicContact CG-CE1 4.26Å; F87-Y183 AromaticContact CD1-CE2 3.78Å; F87-Y183 HydrophobicContact CD1-CE2 3.78Å; F87-Y183 AromaticContact CD1-CZ 3.85Å; F87-Y183 WeakPolarHBondContact CD1-OH 3.41Å; F87-Y183 HydrophobicContact CE1-CE1 4.45Å; F87-Y183 AromaticContact CE1-CE2 3.75Å; F87-Y183 HydrophobicContact CE1-CE2 3.75Å; F87-Y183 AromaticContact CE1-CZ 3.59Å; F87-Y183 VanDerWaalsContact CE1-OH 3.29Å; F87-Y183 WeakPolarHBondContact CE1-OH 2.95Å; L90-Y183 HydrophobicContact CD1-CE2 4.29Å; M128-Y183 HydrophobicContact CE-CD2 4.03Å; M128-Y183 HydrophobicContact CE-CE2 3.82Å; M128-Y183 HydrophobicContact SD-CD2 3.38Å; M128-Y183 WeakPolarHBondContact SD-CD2 3.09Å; M128-Y183 HydrophobicContact SD-CE2 3.74Å; M128-Y183 HydrophobicContact SD-CG 4.45Å; L130-Y183 HydrophobicContact CD1-CD2 3.61Å; L130-Y183 HydrophobicContact CD1-CE2 4.09Å; I179-Y183 PolarHBondContact O-N 2.87Å; I179-Y183 VanDerWaalsContact O-N 3.14Å; L180-Y183 VanDerWaalsContact O-CB 3.27Å; L180-Y183 WeakPolarHBondContact O-CB 3.44Å; L180-Y183 PolarHBondContact O-N 2.93Å; L181-Y183 VanDerWaalsContact C-N 3.31Å; L181-Y183 PolarHBondContact O-N 3.08Å; Y183-K185 PolarHBondContact O-N 2.81Å; Y183-D186 WeakPolarHBondContact O-CA 3.14Å; Y183-D186 WeakPolarHBondContact O-CB 3.31Å; Y183-D186 PolarHBondContact O-N 3.12Å; Y183-T187 HydrophobicContact CD1-CG2 4.39Å; Y183-T187 HydrophobicContact CE1-CG2 3.85Å; Y183-T187 HydrophobicContact CE2-CG2 4.03Å; Y183-T187 WeakPolarHBondContact O-CG2 3.16Å; Y183-T187 PolarHBondContact O-N 3.24Å
184F97.8Very high97.1Very high17 Ų1742.4 Ų42.48%0.07521%0.211CC..Hα-helixtrans-62.7-28.4179.2-74.9-62.6000113.2L80 F82 L180 L181 T187 Y190 V192L80-F184 HydrophobicContact CB-CE1 3.61Å; L80-F184 HydrophobicContact CB-CZ 3.87Å; F82-F184 HydrophobicContact CB-CZ 4.18Å; L180-F184 HydrophobicContact CD1-CD2 4.46Å; L180-F184 HydrophobicContact CD1-CE2 3.97Å; L180-F184 HydrophobicContact CG-CD2 4.48Å; L180-F184 HydrophobicContact CG-CE2 4.18Å; L180-F184 PolarHBondContact O-N 3.24Å; L181-F184 PolarHBondContact O-N 3.32Å; F184-T187 PolarHBondContact O-OG1 2.75Å; F184-Y190 HydrophobicContact CB-CD2 3.92Å; F184-Y190 AromaticContact CD1-CD2 3.68Å; F184-Y190 HydrophobicContact CD1-CD2 3.68Å; F184-Y190 AromaticContact CD1-CE2 3.6Å; F184-Y190 HydrophobicContact CD1-CE2 3.6Å; F184-Y190 HydrophobicContact CE1-CE2 4.17Å; F184-Y190 HydrophobicContact CG-CD2 4.18Å; F184-V192 HydrophobicContact CB-CG2 4.13Å
185K97.5Very high97.1Very high89 Ų8946.4 Ų46.439%0.38724%0.24SC..Hα-helixtrans-70.3-42.6170.9-171.4177.8179.7-174.80111.9N132 L181 A182 Y183 T187 N188 V192 Y194N132-K185 HydrophobicContact CB-CD 4.48Å; L181-K185 PolarHBondContact O-N 3.01Å; L181-K185 VanDerWaalsContact O-N 3.12Å; A182-K185 WeakPolarHBondContact O-CB 3.06Å; A182-K185 PolarHBondContact O-N 2.84Å; Y183-K185 PolarHBondContact O-N 2.81Å; K185-T187 VanDerWaalsContact C-N 3.25Å; K185-T187 PolarHBondContact O-N 3.12Å; K185-N188 PolarHBondContact O-N 3.5Å; K185-N188 VanDerWaalsContact O-N 3.11Å; K185-V192 HydrophobicContact CB-CB 4.18Å; K185-V192 HydrophobicContact CB-CG2 3.85Å; K185-Y194 HydrophobicContact CD-CE2 4.02Å; K185-Y194 WeakPolarHBondContact CD-OH 3.32Å
186D97.5Very high97.1Very high28 Ų2852.9 Ų52.915%0.1527%0.272CS..Hα-helixtrans-67.3-22.8179.8-80.1-40.5000113.3L130 N132 M133 A182 Y183 N188L130-D186 HydrophobicContact CB-CB 3.79Å; L130-D186 WeakPolarHBondContact CB-OD2 3.36Å; L130-D186 HydrophobicContact CD1-CB 3.9Å; L130-D186 HydrophobicContact CD2-CB 4.4Å; L130-D186 HydrophobicContact CG-CB 4.26Å; N132-D186 WeakPolarHBondContact CA-OD2 3.48Å; N132-D186 WeakPolarHBondContact CB-OD1 3.37Å; N132-D186 WeakPolarHBondContact CB-OD2 3.31Å; N132-D186 PolarHBondContact N-OD1 3.41Å; N132-D186 PolarHBondContact N-OD2 2.83Å; N132-D186 PolarHBondContact ND2-OD1 2.62Å; M133-D186 PolarHBondContact N-OD2 2.9Å; A182-D186 PolarHBondContact O-N 2.95Å; Y183-D186 WeakPolarHBondContact O-CA 3.14Å; Y183-D186 WeakPolarHBondContact O-CB 3.31Å; Y183-D186 PolarHBondContact O-N 3.12Å; D186-N188 PolarHBondContact O-N 3.46Å
187T96.4Very high97.1Very high13 Ų1352.4 Ų52.48%0.0827%0.271CS..THydrogen-bonded Turntrans-69.6-16.1172.571.60000113.1I86 L90 Y183 F184 K185 M189I86-T187 HydrophobicContact CG2-CG2 4.45Å; L90-T187 HydrophobicContact CD2-CG2 4.16Å; Y183-T187 HydrophobicContact CD1-CG2 4.39Å; Y183-T187 HydrophobicContact CE1-CG2 3.85Å; Y183-T187 HydrophobicContact CE2-CG2 4.03Å; Y183-T187 WeakPolarHBondContact O-CG2 3.16Å; Y183-T187 PolarHBondContact O-N 3.24Å; F184-T187 PolarHBondContact O-OG1 2.75Å; K185-T187 VanDerWaalsContact C-N 3.25Å; K185-T187 PolarHBondContact O-N 3.12Å; T187-M189 PolarHBondContact O-N 3.05Å; T187-M189 WeakPolarHBondContact OG1-CB 3.33Å; T187-M189 WeakPolarHBondContact OG1-CG 3.08Å; T187-M189 PolarHBondContact OG1-N 2.5Å
188N94.5Very high97Very high151 Ų15155.8 Ų55.881%0.80729%0.289SS*.THydrogen-bonded Turntrans59.120-173.4-161.356.1000113.9K185 D186K185-N188 PolarHBondContact O-N 3.5Å; K185-N188 VanDerWaalsContact O-N 3.11Å; D186-N188 PolarHBondContact O-N 3.46Å
189M93.1Very high96.7Very high30 Ų3054.9 Ų54.915%0.14829%0.29CS..SBendtrans-93.9-21.6177.1-62.3171.2-174.700112.5G44 R45 I86 T187G44-M189 VanDerWaalsContact O-CE 3.31Å; G44-M189 WeakPolarHBondContact O-CE 3.47Å; R45-M189 HydrophobicContact CB-CB 4.15Å; R45-M189 HydrophobicContact CB-CG 4.16Å; R45-M189 HydrophobicContact CG-CB 4.1Å; I86-M189 HydrophobicContact CD1-CE 4.24Å; I86-M189 HydrophobicContact CG2-CE 3.9Å; T187-M189 PolarHBondContact O-N 3.05Å; T187-M189 WeakPolarHBondContact OG1-CB 3.33Å; T187-M189 WeakPolarHBondContact OG1-CG 3.08Å; T187-M189 PolarHBondContact OG1-N 2.5Å
190Y94.5Very high96.6Very high53 Ų5355.1 Ų55.121%0.20829%0.292CS..  trans-135.8144.3-171.3-52.4-73.8000112.4R45 L80 F184R45-Y190 HydrophobicContact CG-CE1 4.15Å; L80-Y190 WeakPolarHBondContact CA-OH 3.22Å; L80-Y190 HydrophobicContact CD2-CE1 4.03Å; L80-Y190 VanDerWaalsContact O-CE2 3.27Å; L80-Y190 WeakPolarHBondContact O-CE2 3.31Å; L80-Y190 PolarHBondContact O-OH 2.85Å; F184-Y190 HydrophobicContact CB-CD2 3.92Å; F184-Y190 AromaticContact CD1-CD2 3.68Å; F184-Y190 HydrophobicContact CD1-CD2 3.68Å; F184-Y190 AromaticContact CD1-CE2 3.6Å; F184-Y190 HydrophobicContact CD1-CE2 3.6Å; F184-Y190 HydrophobicContact CE1-CE2 4.17Å; F184-Y190 HydrophobicContact CG-CD2 4.18Å
191N94.5Very high96.5Very high172 Ų17256.8 Ų56.892%0.9230%0.299SS*.  trans-85.8125.1161.4-69.8-41.7000108.5
192V96.8Very high96.5Very high35 Ų3555.5 Ų55.521%0.21229%0.292CS..  trans-109.2124.1-171.2170.90000110.6L181 F184 K185 Y194L181-V192 HydrophobicContact CB-CG1 3.67Å; L181-V192 HydrophobicContact CD1-CG1 4.42Å; L181-V192 HydrophobicContact CG-CG1 4.45Å; L181-V192 WeakPolarHBondContact O-CG2 3.1Å; F184-V192 HydrophobicContact CB-CG2 4.13Å; K185-V192 HydrophobicContact CB-CB 4.18Å; K185-V192 HydrophobicContact CB-CG2 3.85Å; V192-Y194 HydrophobicContact CG1-CD1 4.17Å; V192-Y194 HydrophobicContact CG1-CD2 4.33Å; V192-Y194 HydrophobicContact CG1-CE1 4.11Å; V192-Y194 HydrophobicContact CG1-CE2 4.27Å; V192-Y194 HydrophobicContact CG1-CG 4.28Å
193D97.6Very high96.5Very high94 Ų9455.6 Ų55.650%0.50329%0.293SS..  trans-95.3104.3168.7-173.9-5.5000110.3S195 M196D193-S195 PolarHBondContact O-N 3.05Å; D193-S195 VanDerWaalsContact OD1-CB 3.27Å; D193-S195 WeakPolarHBondContact OD1-CB 3.38Å; D193-S195 PolarHBondContact OD1-N 3.2Å; D193-S195 PolarHBondContact OD1-OG 2.8Å; D193-S195 PolarHBondContact OD2-OG 3.31Å; D193-S195 VanDerWaalsContact OD2-OG 3.07Å; D193-M196 HydrophobicContact CB-CG 4.36Å; D193-M196 PolarHBondContact O-N 3.18Å
194Y97.6Very high96.4Very high35 Ų3560.5 Ų60.514%0.13731%0.314CS..G310 helixtrans-73.8-7.4179.8-63.7-83.8000114.6E136 R178 L181 A182 K185 V192 M196 A197E136-Y194 HydrophobicContact CG-CE1 4.17Å; R178-Y194 HydrophobicContact CB-CD1 4.24Å; R178-Y194 HydrophobicContact CG-CD1 4.46Å; R178-Y194 VanDerWaalsContact CZ-CB 3.46Å; R178-Y194 PolarHBondContact NH1-O 2.87Å; R178-Y194 VanDerWaalsContact NH1-O 3.16Å; L181-Y194 HydrophobicContact CB-CD1 4.16Å; L181-Y194 HydrophobicContact CB-CE1 4.19Å; A182-Y194 HydrophobicContact CB-CE1 3.97Å; K185-Y194 HydrophobicContact CD-CE2 4.02Å; K185-Y194 WeakPolarHBondContact CD-OH 3.32Å; V192-Y194 HydrophobicContact CG1-CD1 4.17Å; V192-Y194 HydrophobicContact CG1-CD2 4.33Å; V192-Y194 HydrophobicContact CG1-CE1 4.11Å; V192-Y194 HydrophobicContact CG1-CE2 4.27Å; V192-Y194 HydrophobicContact CG1-CG 4.28Å; Y194-M196 PolarHBondContact O-N 2.9Å; Y194-A197 WeakPolarHBondContact O-CB 3.45Å; Y194-A197 PolarHBondContact O-N 2.79Å
195S97.1Very high96.4Very high92 Ų9262.3 Ų62.364%0.64334%0.338SS*.G310 helixtrans-71.7-19.4174.273.70000112.5D193 A197D193-S195 PolarHBondContact O-N 3.05Å; D193-S195 VanDerWaalsContact OD1-CB 3.27Å; D193-S195 WeakPolarHBondContact OD1-CB 3.38Å; D193-S195 PolarHBondContact OD1-N 3.2Å; D193-S195 PolarHBondContact OD1-OG 2.8Å; D193-S195 PolarHBondContact OD2-OG 3.31Å; D193-S195 VanDerWaalsContact OD2-OG 3.07Å; S195-A197 VanDerWaalsContact C-N 3.33Å
196M96.3Very high96.4Very high147 Ų14759.4 Ų59.472%0.72433%0.326SS*.G310 helixtrans-85.5-1.6176.4-62-61.1-64.200113.6D193 Y194D193-M196 HydrophobicContact CB-CG 4.36Å; D193-M196 PolarHBondContact O-N 3.18Å; Y194-M196 PolarHBondContact O-N 2.9Å
197A97.7Very high96.4Very high21 Ų2158.9 Ų58.917%0.17433%0.328CS..SBendtrans-67.6143.2175.200000110.8R178 L181 Y194 S195R178-A197 HydrophobicContact CB-CB 4.47Å; R178-A197 HydrophobicContact CG-CB 3.44Å; R178-A197 VanDerWaalsContact CG-CB 3.44Å; L181-A197 HydrophobicContact CD1-CB 3.81Å; Y194-A197 WeakPolarHBondContact O-CB 3.45Å; Y194-A197 PolarHBondContact O-N 2.79Å; S195-A197 VanDerWaalsContact C-N 3.33Å
198D95.9Very high96.5Very high71 Ų7159.9 Ų59.938%0.3833%0.334SS..  trans-65.2159.5169.4-72.3-54.9000111.2L175 V176 F200L175-D198 WeakPolarHBondContact CA-OD2 3.44Å; L175-D198 HydrophobicContact CB-CB 3.8Å; L175-D198 HydrophobicContact CD2-CB 3.9Å; L175-D198 HydrophobicContact CG-CB 4.28Å; V176-D198 PolarHBondContact N-OD2 3.15Å; V176-D198 PolarHBondContact O-N 2.87Å; D198-F200 PolarHBondContact O-N 3.38Å
199D93.8Very high96.7Very high68 Ų6855.1 Ų55.136%0.36431%0.309SS..  trans-74.465.1168.7-171.218.5000110.4K201 K204 N408D199-K201 PolarHBondContact O-N 3.19Å; D199-K201 WeakPolarHBondContact OD2-CE 3.43Å; D199-K201 IonicContact OD2-NZ 3.67Å; D199-K201 PolarHBondContact OD2-NZ 2.85Å; D199-K204 IonicContact OD1-NZ 3.59Å; D199-K204 PolarHBondContact OD1-NZ 2.81Å; D199-N408 PolarHBondContact OD2-ND2 3.12Å
200F97.1Very high96.9Very high8 Ų853.7 Ų53.74%0.03530%0.302CS..  trans-64.3124.1175178-108.1000109.8H140 M161 N163 D164 L175 D198 W202H140-F200 AromaticContact CD2-CE1 3.99Å; H140-F200 AromaticContact CE1-CD1 3.34Å; H140-F200 WeakPolarHBondContact CE1-CD1 3.47Å; H140-F200 AromaticContact CE1-CE1 3.72Å; H140-F200 PolarHBondContact CE1-O 3.08Å; H140-F200 VanDerWaalsContact CE1-O 3.25Å; H140-F200 AromaticContact NE2-CD1 3.42Å; H140-F200 WeakPolarHBondContact NE2-CD1 3.3Å; H140-F200 AromaticContact NE2-CE1 3.27Å; H140-F200 VanDerWaalsContact NE2-CE1 3.27Å; H140-F200 WeakPolarHBondContact NE2-CE1 3.46Å; M161-F200 HydrophobicContact CE-CE1 3.97Å; M161-F200 HydrophobicContact CE-CZ 4Å; M161-F200 VanDerWaalsContact O-CE2 3.28Å; M161-F200 WeakPolarHBondContact O-CE2 3.45Å; M161-F200 WeakPolarHBondContact O-CZ 3.33Å; N163-F200 WeakPolarHBondContact OD1-CE2 3.39Å; D164-F200 HydrophobicContact CB-CE2 4.09Å; D164-F200 HydrophobicContact CB-CZ 4.34Å; L175-F200 HydrophobicContact CB-CD2 4.23Å; L175-F200 HydrophobicContact CD1-CD2 4.46Å; D198-F200 PolarHBondContact O-N 3.38Å; F200-W202 HydrophobicContact CE1-CB 4.45Å; F200-W202 HydrophobicContact CE2-CB 3.76Å; F200-W202 HydrophobicContact CZ-CB 3.69Å; F200-W202 HydrophobicContact CZ-CG 4.4Å
201K96.3Very high97.1Very high40 Ų4051.4 Ų51.417%0.17429%0.293CS..  trans-121.4-11.4-173.8-72.1176.6-170.8179.90114.4D199 G203 K204 S405D199-K201 PolarHBondContact O-N 3.19Å; D199-K201 WeakPolarHBondContact OD2-CE 3.43Å; D199-K201 IonicContact OD2-NZ 3.67Å; D199-K201 PolarHBondContact OD2-NZ 2.85Å; K201-G203 PolarHBondContact O-N 3.43Å; K201-K204 HydrophobicContact CG-CD 4.38Å; K201-K204 WeakPolarHBondContact O-CB 3.23Å; K201-K204 PolarHBondContact O-N 3.38Å; K201-S405 PolarHBondContact NZ-O 2.96Å
202W97.9Very high97.2Very high1 Ų146 Ų460%0.00426%0.264CS..THydrogen-bonded Turntrans-57.8124.6179.3177.1-85.8000110.9H140 I160 G162 F200 K204 F210 P231 Y244 F287 T292H140-W202 PolarHBondContact NE2-O 3.12Å; I160-W202 VanDerWaalsContact O-CD1 3.24Å; I160-W202 PolarHBondContact O-NE1 2.89Å; G162-W202 VanDerWaalsContact CA-CD2 3.44Å; F200-W202 HydrophobicContact CE1-CB 4.45Å; F200-W202 HydrophobicContact CE2-CB 3.76Å; F200-W202 HydrophobicContact CZ-CB 3.69Å; F200-W202 HydrophobicContact CZ-CG 4.4Å; W202-K204 PolarHBondContact O-N 2.76Å; W202-F210 AromaticContact NE1-CZ 3.57Å; W202-P231 HydrophobicContact CD2-CB 4.42Å; W202-P231 HydrophobicContact CD2-CG 4.27Å; W202-P231 HydrophobicContact CE3-CB 3.83Å; W202-P231 HydrophobicContact CE3-CG 4.17Å; W202-P231 HydrophobicContact CH2-CB 3.55Å; W202-P231 HydrophobicContact CH2-CG 3.65Å; W202-P231 HydrophobicContact CZ2-CB 4.16Å; W202-P231 HydrophobicContact CZ2-CG 3.74Å; W202-P231 HydrophobicContact CZ3-CB 3.36Å; W202-P231 HydrophobicContact CZ3-CG 3.88Å; W202-Y244 AromaticContact CE3-CD1 3.75Å; W202-Y244 HydrophobicContact CE3-CD1 3.75Å; W202-Y244 AromaticContact CE3-CD2 3.77Å; W202-Y244 HydrophobicContact CE3-CD2 3.77Å; W202-Y244 AromaticContact CE3-CE1 3.8Å; W202-Y244 HydrophobicContact CE3-CE1 3.8Å; W202-Y244 AromaticContact CE3-CE2 3.8Å; W202-Y244 HydrophobicContact CE3-CE2 3.8Å; W202-Y244 AromaticContact CE3-CG 3.73Å; W202-Y244 HydrophobicContact CE3-CG 3.73Å; W202-Y244 AromaticContact CE3-CZ 3.84Å; W202-Y244 HydrophobicContact CZ3-CD1 4.08Å; W202-Y244 HydrophobicContact CZ3-CD2 4.45Å; W202-Y244 AromaticContact CZ3-CE1 3.67Å; W202-Y244 HydrophobicContact CZ3-CE1 3.67Å; W202-Y244 HydrophobicContact CZ3-CE2 4.07Å; W202-Y244 HydrophobicContact CZ3-CG 4.45Å; W202-Y244 AromaticContact CZ3-CZ 3.68Å; W202-F287 HydrophobicContact CH2-CD1 4.04Å; W202-F287 AromaticContact CH2-CE1 3.64Å; W202-F287 HydrophobicContact CH2-CE1 3.64Å; W202-F287 HydrophobicContact CH2-CZ 4.08Å; W202-F287 HydrophobicContact CZ2-CD1 4.01Å; W202-F287 AromaticContact CZ2-CE1 3.8Å; W202-F287 HydrophobicContact CZ2-CE1 3.8Å; W202-F287 HydrophobicContact CZ3-CE1 4.47Å; W202-T292 HydrophobicContact CH2-CG2 3.69Å; W202-T292 HydrophobicContact CZ3-CG2 4.23Å
203G97.8Very high97.2Very high2 Ų246.6 Ų46.62%0.02126%0.263CS..THydrogen-bonded Turntrans73.1-2.6-178.300000115.9F141 K201 G205 L206 F210F141-G203 WeakPolarHBondContact CD1-O 3.23Å; K201-G203 PolarHBondContact O-N 3.43Å; G203-G205 PolarHBondContact O-N 2.74Å; G203-L206 PolarHBondContact O-N 2.91Å; G203-L206 VanDerWaalsContact O-N 3.12Å; G203-F210 VanDerWaalsContact CA-CE1 3.49Å
204K97.5Very high97.3Very high104 Ų10442.1 Ų42.145%0.45224%0.239SC..THydrogen-bonded Turntrans-61.4119.8-172.8-167.6173.7-175.6173.50111H140 D199 K201 W202 L206H140-K204 CarbonylContact O-C 3.57Å; H140-K204 VanDerWaalsContact O-CA 3.29Å; H140-K204 WeakPolarHBondContact O-CA 3.41Å; D199-K204 IonicContact OD1-NZ 3.59Å; D199-K204 PolarHBondContact OD1-NZ 2.81Å; K201-K204 HydrophobicContact CG-CD 4.38Å; K201-K204 WeakPolarHBondContact O-CB 3.23Å; K201-K204 PolarHBondContact O-N 3.38Å; W202-K204 PolarHBondContact O-N 2.76Å; K204-L206 PolarHBondContact O-N 2.98Å
205G97Very high97.3Very high55 Ų5540.5 Ų40.557%0.56723%0.233SC*.THydrogen-bonded Turntrans67.114.1-179.900000115.9H140 F141 G203 G207H140-G205 PolarHBondContact O-N 2.77Å; F141-G205 CarbonylContact O-C 3.44Å; F141-G205 WeakPolarHBondContact O-CA 3.5Å; G203-G205 PolarHBondContact O-N 2.74Å; G205-G207 VanDerWaalsContact C-N 3.28Å; G205-G207 PolarHBondContact O-N 2.66Å
206L97.8Very high97.3Very high27 Ų2737.5 Ų37.514%0.14121%0.208CC..  trans-81-5.9179.9-55.5-173.3000113.9F141 G203 K204 F210 Y218 R222F141-L206 PolarHBondContact O-N 3.38Å; G203-L206 PolarHBondContact O-N 2.91Å; G203-L206 VanDerWaalsContact O-N 3.12Å; K204-L206 PolarHBondContact O-N 2.98Å; L206-F210 HydrophobicContact CB-CB 3.52Å; L206-F210 HydrophobicContact CB-CD1 4.22Å; L206-F210 HydrophobicContact CB-CD2 4.38Å; L206-F210 HydrophobicContact CB-CG 3.79Å; L206-F210 HydrophobicContact CD1-CB 4.45Å; L206-F210 HydrophobicContact CD1-CD1 4.34Å; L206-F210 HydrophobicContact CD1-CD2 3.74Å; L206-F210 HydrophobicContact CD1-CE2 4.05Å; L206-F210 HydrophobicContact CD1-CG 3.9Å; L206-F210 HydrophobicContact CD1-CZ 4.5Å; L206-F210 HydrophobicContact CG-CG 4.47Å; L206-Y218 HydrophobicContact CB-CE2 4.36Å; L206-R222 VanDerWaalsContact CD2-NH2 3.28Å
207G97.9Very high97.4Very high18 Ų1832.4 Ų32.419%0.18618%0.182CC..Hα-helixtrans75.7-175.2171.600000114.7F141 G205 D209 F210F141-G207 WeakPolarHBondContact O-CA 3.27Å; F141-G207 PolarHBondContact O-N 3.1Å; G205-G207 VanDerWaalsContact C-N 3.28Å; G205-G207 PolarHBondContact O-N 2.66Å; G207-D209 VanDerWaalsContact C-N 3.29Å; G207-D209 PolarHBondContact O-N 2.87Å; G207-F210 PolarHBondContact O-N 2.54Å; G207-F210 VanDerWaalsContact O-N 3.16Å
208C98.3Very high97.4Very high33 Ų3331.5 Ų31.522%0.22317%0.174CC..Hα-helixtrans-66.5-29.7-174.8-61.40000113.6C143 F210 V211 M212C143-C208 WeakPolarHBondContact CA-SG 3.02Å; C143-C208 HydrophobicContact CB-CB 4Å; C143-C208 WeakPolarHBondContact CB-SG 3.41Å; C143-C208 WeakPolarHBondContact SG-CA 3.22Å; C143-C208 WeakPolarHBondContact SG-CB 3.34Å; C143-C208 CovalentContact SG-SG 2.04Å; C143-C208 PolarHBondContact SG-SG 2.03Å; C208-F210 PolarHBondContact O-N 3.23Å; C208-V211 PolarHBondContact O-N 2.85Å; C208-M212 HydrophobicContact CB-SD 4.38Å; C208-M212 WeakPolarHBondContact O-CB 3.42Å; C208-M212 PolarHBondContact O-N 3.16Å
209D97.6Very high97.5Very high52 Ų5228.4 Ų28.428%0.27816%0.158SC..Hα-helixtrans-60.2-32.2175.3-76.2-28.8000111.4G207 K213 Y218 K221G207-D209 VanDerWaalsContact C-N 3.29Å; G207-D209 PolarHBondContact O-N 2.87Å; D209-K213 HydrophobicContact CB-CD 4.2Å; D209-K213 VanDerWaalsContact O-CB 3.31Å; D209-K213 WeakPolarHBondContact O-CB 3.28Å; D209-K213 WeakPolarHBondContact OD1-CD 3.22Å; D209-K213 WeakPolarHBondContact OD1-CE 3.4Å; D209-K213 IonicContact OD1-NZ 3.92Å; D209-K213 PolarHBondContact OD1-NZ 3.14Å; D209-Y218 HydrophobicContact CB-CD2 4.23Å; D209-K221 IonicContact OD1-NZ 3.92Å; D209-K221 PolarHBondContact OD1-NZ 2.97Å; D209-K221 WeakPolarHBondContact OD2-CD 3.39Å; D209-K221 IonicContact OD2-NZ 3.88Å; D209-K221 PolarHBondContact OD2-NZ 2.94Å
210F98.2Very high97.6Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-73.4-43.9177.1173.7-104.7000113.1F141 R159 W202 G203 L206 G207 C208 Y218 P231 F232F141-F210 HydrophobicContact CD1-CD1 4.23Å; F141-F210 HydrophobicContact CD1-CE1 4.27Å; F141-F210 HydrophobicContact CE1-CE1 4.11Å; R159-F210 PolarHBondContact NH1-O 2.94Å; R159-F210 PolarHBondContact NH2-O 2.87Å; W202-F210 AromaticContact NE1-CZ 3.57Å; G203-F210 VanDerWaalsContact CA-CE1 3.49Å; L206-F210 HydrophobicContact CB-CB 3.52Å; L206-F210 HydrophobicContact CB-CD1 4.22Å; L206-F210 HydrophobicContact CB-CD2 4.38Å; L206-F210 HydrophobicContact CB-CG 3.79Å; L206-F210 HydrophobicContact CD1-CB 4.45Å; L206-F210 HydrophobicContact CD1-CD1 4.34Å; L206-F210 HydrophobicContact CD1-CD2 3.74Å; L206-F210 HydrophobicContact CD1-CE2 4.05Å; L206-F210 HydrophobicContact CD1-CG 3.9Å; L206-F210 HydrophobicContact CD1-CZ 4.5Å; L206-F210 HydrophobicContact CG-CG 4.47Å; G207-F210 PolarHBondContact O-N 2.54Å; G207-F210 VanDerWaalsContact O-N 3.16Å; C208-F210 PolarHBondContact O-N 3.23Å; F210-Y218 HydrophobicContact CB-CD2 4.02Å; F210-Y218 HydrophobicContact CB-CE2 3.83Å; F210-Y218 HydrophobicContact CD2-CE2 4.39Å; F210-P231 HydrophobicContact CE2-CG 3.86Å; F210-P231 HydrophobicContact CZ-CG 4.35Å; F210-F232 AromaticContact CD2-CE2 3.89Å; F210-F232 HydrophobicContact CD2-CE2 3.89Å; F210-F232 HydrophobicContact CD2-CZ 4.2Å; F210-F232 AromaticContact CE2-CE2 3.87Å; F210-F232 HydrophobicContact CE2-CE2 3.87Å; F210-F232 AromaticContact CE2-CZ 3.77Å; F210-F232 HydrophobicContact CE2-CZ 3.77Å
211V97.7Very high97.6Very high4 Ų432.1 Ų32.12%0.02417%0.172CC..Hα-helixtrans-88.3-24.5-172.7-71.40000114.4F141 C143 I146 Q150 I160 C208F141-V211 HydrophobicContact CB-CG1 4.01Å; F141-V211 HydrophobicContact CD1-CG1 3.65Å; F141-V211 HydrophobicContact CD2-CG1 3.81Å; F141-V211 HydrophobicContact CE1-CG1 4.06Å; F141-V211 HydrophobicContact CE2-CG1 4.19Å; F141-V211 HydrophobicContact CG-CG1 3.54Å; F141-V211 HydrophobicContact CZ-CG1 4.31Å; C143-V211 HydrophobicContact CB-CG2 3.92Å; I146-V211 HydrophobicContact CB-CG2 4.41Å; I146-V211 HydrophobicContact CD1-CB 4.03Å; I146-V211 HydrophobicContact CD1-CG1 4.06Å; I146-V211 HydrophobicContact CD1-CG2 4.11Å; I146-V211 HydrophobicContact CG1-CB 4.45Å; I146-V211 HydrophobicContact CG1-CG2 4.22Å; Q150-V211 PolarHBondContact NE2-O 3.26Å; I160-V211 HydrophobicContact CG2-CG1 4.49Å; C208-V211 PolarHBondContact O-N 2.85Å
212M97Very high97.6Very high60 Ų6032.5 Ų32.530%0.29617%0.172SC..Hα-helixtrans-114.6-0.2-172.3-68.4175.36900114I112 E145 C208I112-M212 WeakPolarHBondContact CG2-O 3.35Å; E145-M212 HydrophobicContact CB-SD 4.15Å; C208-M212 HydrophobicContact CB-SD 4.38Å; C208-M212 WeakPolarHBondContact O-CB 3.42Å; C208-M212 PolarHBondContact O-N 3.16Å
213K97.9Very high97.5Very high47 Ų4735.5 Ų35.520%0.20419%0.185CC..SBendtrans-127.5167178.6-53.7-177.5164.8-174.30111.7R159 D209 E217 K221R159-K213 PolarHBondContact NH2-O 3.19Å; D209-K213 HydrophobicContact CB-CD 4.2Å; D209-K213 VanDerWaalsContact O-CB 3.31Å; D209-K213 WeakPolarHBondContact O-CB 3.28Å; D209-K213 WeakPolarHBondContact OD1-CD 3.22Å; D209-K213 WeakPolarHBondContact OD1-CE 3.4Å; D209-K213 IonicContact OD1-NZ 3.92Å; D209-K213 PolarHBondContact OD1-NZ 3.14Å; K213-E217 HydrophobicContact CB-CB 4.38Å; K213-E217 VanDerWaalsContact CD-CD 3.48Å; K213-E217 HydrophobicContact CD-CG 4.24Å; K213-E217 VanDerWaalsContact CD-OE1 3.31Å; K213-E217 WeakPolarHBondContact CD-OE1 3.26Å; K213-E217 VanDerWaalsContact CE-OE1 3.32Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 IonicContact NZ-OE1 3.16Å; K213-E217 PolarHBondContact NZ-OE1 2.98Å; K213-K221 VanDerWaalsContact NZ-CE 3.34Å
214S98.1Very high97.4Very high0 Ų042.5 Ų42.50%022%0.222CC..  trans-64.6154.8171.966.80000111.1W114 K115 Y216 E217 Y218W114-S214 VanDerWaalsContact CE2-CB 3.5Å; K115-S214 WeakPolarHBondContact O-CB 3.38Å; K115-S214 PolarHBondContact O-OG 3.1Å; S214-Y216 PolarHBondContact O-N 3.48Å; S214-E217 PolarHBondContact O-N 3.43Å; S214-E217 PolarHBondContact OG-N 3.04Å; S214-E217 VanDerWaalsContact OG-N 3.16Å; S214-Y218 PolarHBondContact O-N 3.29Å; S214-Y218 VanDerWaalsContact O-N 3.08Å
215C98Very high97.3Very high0 Ų042.9 Ų42.90%023%0.228CC..Hα-helixtrans-59.7-31.5170.346.80000112Y218 I219 F232 Y266 C290C215-Y218 PolarHBondContact O-N 3.41Å; C215-I219 HydrophobicContact CB-CD1 4.49Å; C215-I219 WeakPolarHBondContact O-CB 3.35Å; C215-I219 WeakPolarHBondContact O-CD1 3.29Å; C215-I219 WeakPolarHBondContact O-CG1 3.13Å; C215-I219 PolarHBondContact O-N 3.17Å; C215-F232 HydrophobicContact CB-CD1 3.74Å; C215-F232 HydrophobicContact CB-CD2 3.79Å; C215-F232 HydrophobicContact CB-CE1 3.57Å; C215-F232 HydrophobicContact CB-CE2 3.61Å; C215-F232 HydrophobicContact CB-CG 3.86Å; C215-F232 HydrophobicContact CB-CZ 3.5Å; C215-Y266 WeakPolarHBondContact SG-CE2 3.29Å; C215-C290 HydrophobicContact CB-CB 3.58Å; C215-C290 WeakPolarHBondContact CB-SG 3.4Å; C215-C290 WeakPolarHBondContact SG-CA 3.37Å; C215-C290 WeakPolarHBondContact SG-CB 3.28Å; C215-C290 CovalentContact SG-SG 2.03Å; C215-C290 PolarHBondContact SG-SG 3.07Å
216Y98Very high97.3Very high30 Ų3049.7 Ų49.712%0.11824%0.242CC..Hα-helixtrans-59.4-52.8175.7-177.8-103.9000112.2K115 A117 S214 Y218 I219 E220 Y266 D268K115-Y216 HydrophobicContact CD-CD1 4.27Å; K115-Y216 HydrophobicContact CD-CE1 4.37Å; K115-Y216 HydrophobicContact CG-CD1 4.08Å; K115-Y216 HydrophobicContact CG-CE1 4.39Å; A117-Y216 HydrophobicContact CB-CE2 4.21Å; S214-Y216 PolarHBondContact O-N 3.48Å; Y216-Y218 VanDerWaalsContact C-N 3.31Å; Y216-Y218 PolarHBondContact O-N 2.99Å; Y216-I219 PolarHBondContact O-N 3.03Å; Y216-E220 WeakPolarHBondContact O-CB 3.43Å; Y216-E220 PolarHBondContact O-N 3.11Å; Y216-Y266 WeakPolarHBondContact CD2-O 3.42Å; Y216-Y266 VanDerWaalsContact CE2-O 3.31Å; Y216-Y266 WeakPolarHBondContact CE2-O 3.47Å; Y216-D268 HydrophobicContact CE2-CB 4.15Å; Y216-D268 VanDerWaalsContact CE2-OD2 3.22Å; Y216-D268 WeakPolarHBondContact CE2-OD2 3.23Å; Y216-D268 PolarHBondContact OH-OD2 3.02Å
217E98Very high97.1Very high39 Ų3952.7 Ų52.718%0.18226%0.255CS..Hα-helixtrans-65.9-37.1179-164.4-177.7152.700111.7K115 K213 S214 K221K115-E217 HydrophobicContact CB-CB 4.16Å; K115-E217 HydrophobicContact CD-CB 4.22Å; K115-E217 HydrophobicContact CD-CG 4.06Å; K213-E217 HydrophobicContact CB-CB 4.38Å; K213-E217 VanDerWaalsContact CD-CD 3.48Å; K213-E217 HydrophobicContact CD-CG 4.24Å; K213-E217 VanDerWaalsContact CD-OE1 3.31Å; K213-E217 WeakPolarHBondContact CD-OE1 3.26Å; K213-E217 VanDerWaalsContact CE-OE1 3.32Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 IonicContact NZ-OE1 3.16Å; K213-E217 PolarHBondContact NZ-OE1 2.98Å; S214-E217 PolarHBondContact O-N 3.43Å; S214-E217 PolarHBondContact OG-N 3.04Å; S214-E217 VanDerWaalsContact OG-N 3.16Å; E217-K221 HydrophobicContact CG-CD 4.3Å; E217-K221 WeakPolarHBondContact O-CB 3.41Å; E217-K221 VanDerWaalsContact O-CG 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.39Å; E217-K221 PolarHBondContact O-N 3.43Å; E217-K221 VanDerWaalsContact O-N 3.08Å; E217-K221 WeakPolarHBondContact OE1-CE 3.17Å
218Y98.1Very high96.9Very high2 Ų255.3 Ų55.31%0.00827%0.265CS..Hα-helixtrans-61.2-49.5174.9175.4-88.4000111.8L206 D209 F210 S214 C215 Y216 K221 R222 I229 Q230 F232L206-Y218 HydrophobicContact CB-CE2 4.36Å; D209-Y218 HydrophobicContact CB-CD2 4.23Å; F210-Y218 HydrophobicContact CB-CD2 4.02Å; F210-Y218 HydrophobicContact CB-CE2 3.83Å; F210-Y218 HydrophobicContact CD2-CE2 4.39Å; S214-Y218 PolarHBondContact O-N 3.29Å; S214-Y218 VanDerWaalsContact O-N 3.08Å; C215-Y218 PolarHBondContact O-N 3.41Å; Y216-Y218 VanDerWaalsContact C-N 3.31Å; Y216-Y218 PolarHBondContact O-N 2.99Å; Y218-K221 PolarHBondContact O-N 3.47Å; Y218-R222 HydrophobicContact CD1-CG 4.14Å; Y218-R222 HydrophobicContact CD2-CG 4.42Å; Y218-R222 HydrophobicContact CE1-CG 3.81Å; Y218-R222 HydrophobicContact CE2-CG 4.08Å; Y218-R222 HydrophobicContact CG-CG 4.46Å; Y218-R222 VanDerWaalsContact CZ-NE 3.29Å; Y218-R222 WeakPolarHBondContact O-CB 3.31Å; Y218-R222 VanDerWaalsContact O-CG 3.28Å; Y218-R222 WeakPolarHBondContact O-CG 2.95Å; Y218-R222 PolarHBondContact O-N 2.98Å; Y218-R222 PolarHBondContact OH-NE 3.23Å; Y218-R222 PolarHBondContact OH-NH2 3.21Å; Y218-I229 WeakPolarHBondContact CE1-O 3.45Å; Y218-Q230 PolarHBondContact OH-O 2.72Å; Y218-F232 AromaticContact CD1-CD2 3.47Å; Y218-F232 HydrophobicContact CD1-CD2 3.47Å; Y218-F232 VanDerWaalsContact CD1-CD2 3.47Å; Y218-F232 AromaticContact CD1-CE2 3.76Å; Y218-F232 HydrophobicContact CD1-CE2 3.76Å; Y218-F232 AromaticContact CE1-CD2 3.8Å; Y218-F232 HydrophobicContact CE1-CD2 3.8Å; Y218-F232 HydrophobicContact CE1-CE2 4.19Å; Y218-F232 HydrophobicContact CG-CD2 4.31Å; Y218-F232 HydrophobicContact CG-CE2 4.19Å
219I97.1Very high96.9Very high7 Ų754.5 Ų54.54%0.03626%0.258CS..Hα-helixtrans-59.7-48.7178.8-72.4160.3000109.9C215 Y216 K221 R222 K223 I229 F232C215-I219 HydrophobicContact CB-CD1 4.49Å; C215-I219 WeakPolarHBondContact O-CB 3.35Å; C215-I219 WeakPolarHBondContact O-CD1 3.29Å; C215-I219 WeakPolarHBondContact O-CG1 3.13Å; C215-I219 PolarHBondContact O-N 3.17Å; Y216-I219 PolarHBondContact O-N 3.03Å; I219-K221 PolarHBondContact O-N 3.16Å; I219-R222 PolarHBondContact O-N 3.3Å; I219-K223 HydrophobicContact CG2-CD 3.82Å; I219-K223 HydrophobicContact CG2-CG 4.18Å; I219-K223 WeakPolarHBondContact O-CB 3.36Å; I219-K223 WeakPolarHBondContact O-CG 3.17Å; I219-K223 PolarHBondContact O-N 3.35Å; I219-I229 HydrophobicContact CG1-CB 4.47Å; I219-I229 HydrophobicContact CG2-CD1 4.42Å; I219-I229 HydrophobicContact CG2-CG2 4.42Å; I219-F232 HydrophobicContact CD1-CB 3.79Å; I219-F232 HydrophobicContact CD1-CG 4.37Å; I219-F232 HydrophobicContact CG1-CB 3.86Å; I219-F232 HydrophobicContact CG1-CD2 4.37Å; I219-F232 HydrophobicContact CG1-CG 4.44Å
220E96.1Very high96.8Very high85 Ų8552.1 Ų52.140%0.39725%0.245SC..Hα-helixtrans-56.5-49.3-179.6-175.3-172.6-175.900111.6K115 Y216 K223 L224K115-E220 VanDerWaalsContact NZ-CD 3.31Å; K115-E220 IonicContact NZ-OE1 2.78Å; K115-E220 PolarHBondContact NZ-OE1 3.37Å; K115-E220 VanDerWaalsContact NZ-OE1 3.15Å; K115-E220 IonicContact NZ-OE2 2.79Å; K115-E220 PolarHBondContact NZ-OE2 2.85Å; Y216-E220 WeakPolarHBondContact O-CB 3.43Å; Y216-E220 PolarHBondContact O-N 3.11Å; E220-K223 PolarHBondContact O-N 3.43Å; E220-L224 WeakPolarHBondContact O-CB 3.12Å; E220-L224 PolarHBondContact O-N 3.05Å
221K96.9Very high96.8Very high69 Ų6952.2 Ų52.230%0.325%0.246SC..Hα-helixtrans-63.2-46.4178.7-75.8174.1157.2-1350112.7D209 K213 E217 Y218 I219 L224 L225D209-K221 IonicContact OD1-NZ 3.92Å; D209-K221 PolarHBondContact OD1-NZ 2.97Å; D209-K221 WeakPolarHBondContact OD2-CD 3.39Å; D209-K221 IonicContact OD2-NZ 3.88Å; D209-K221 PolarHBondContact OD2-NZ 2.94Å; K213-K221 VanDerWaalsContact NZ-CE 3.34Å; E217-K221 HydrophobicContact CG-CD 4.3Å; E217-K221 WeakPolarHBondContact O-CB 3.41Å; E217-K221 VanDerWaalsContact O-CG 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.39Å; E217-K221 PolarHBondContact O-N 3.43Å; E217-K221 VanDerWaalsContact O-N 3.08Å; E217-K221 WeakPolarHBondContact OE1-CE 3.17Å; Y218-K221 PolarHBondContact O-N 3.47Å; I219-K221 PolarHBondContact O-N 3.16Å; K221-L224 PolarHBondContact O-N 2.7Å; K221-L225 WeakPolarHBondContact O-CG 3.11Å; K221-L225 PolarHBondContact O-N 3.14Å; K221-L225 VanDerWaalsContact O-N 3.16Å
222R97.1Very high96.8Very high47 Ų4752 Ų5218%0.17725%0.245CC..Hα-helixtrans-63.9-43.3179.3-74.2-74.7-161171.39.6111.2L206 Y218 I219 L224 L225 K226 Q227 D228 I229L206-R222 VanDerWaalsContact CD2-NH2 3.28Å; Y218-R222 HydrophobicContact CD1-CG 4.14Å; Y218-R222 HydrophobicContact CD2-CG 4.42Å; Y218-R222 HydrophobicContact CE1-CG 3.81Å; Y218-R222 HydrophobicContact CE2-CG 4.08Å; Y218-R222 HydrophobicContact CG-CG 4.46Å; Y218-R222 VanDerWaalsContact CZ-NE 3.29Å; Y218-R222 WeakPolarHBondContact O-CB 3.31Å; Y218-R222 VanDerWaalsContact O-CG 3.28Å; Y218-R222 WeakPolarHBondContact O-CG 2.95Å; Y218-R222 PolarHBondContact O-N 2.98Å; Y218-R222 PolarHBondContact OH-NE 3.23Å; Y218-R222 PolarHBondContact OH-NH2 3.21Å; I219-R222 PolarHBondContact O-N 3.3Å; R222-L224 PolarHBondContact O-N 3.12Å; R222-L225 CarbonylContact O-C 3.56Å; R222-L225 PolarHBondContact O-N 3.29Å; R222-L225 VanDerWaalsContact O-N 3.17Å; R222-K226 PolarHBondContact O-N 2.99Å; R222-Q227 HydrophobicContact CB-CB 4.35Å; R222-Q227 PolarHBondContact O-N 2.8Å; R222-D228 WeakPolarHBondContact CD-O 3.42Å; R222-I229 HydrophobicContact CB-CG2 3.78Å
223K95.1Very high96.7Very high65 Ų6549.1 Ų49.128%0.28323%0.231SC..Hα-helixtrans-59.8-44.7175.3-78.2-176.4173.8-173.10111.9I219 E220 L225 K226 I229 D234I219-K223 HydrophobicContact CG2-CD 3.82Å; I219-K223 HydrophobicContact CG2-CG 4.18Å; I219-K223 WeakPolarHBondContact O-CB 3.36Å; I219-K223 WeakPolarHBondContact O-CG 3.17Å; I219-K223 PolarHBondContact O-N 3.35Å; E220-K223 PolarHBondContact O-N 3.43Å; K223-L225 PolarHBondContact O-N 3.26Å; K223-K226 PolarHBondContact O-N 3.16Å; K223-I229 HydrophobicContact CG-CG2 4.03Å; K223-D234 WeakPolarHBondContact CE-OD2 3.45Å; K223-D234 IonicContact NZ-OD2 2.64Å; K223-D234 PolarHBondContact NZ-OD2 2.78Å
224L95.8Very high96.5Very high149 Ų14949.3 Ų49.378%0.7823%0.234SC*.Hα-helixtrans-57.8-38.3176.5-177.266.2000111.9E220 K221 R222 K226E220-L224 WeakPolarHBondContact O-CB 3.12Å; E220-L224 PolarHBondContact O-N 3.05Å; K221-L224 PolarHBondContact O-N 2.7Å; R222-L224 PolarHBondContact O-N 3.12Å; L224-K226 VanDerWaalsContact C-N 3.31Å
225L96.7Very high96.1Very high112 Ų11253 Ų5359%0.58625%0.254SS*.THydrogen-bonded Turntrans-85.72.5177.5-62.3175.8000113.9K221 R222 K223 Q227K221-L225 WeakPolarHBondContact O-CG 3.11Å; K221-L225 PolarHBondContact O-N 3.14Å; K221-L225 VanDerWaalsContact O-N 3.16Å; R222-L225 CarbonylContact O-C 3.56Å; R222-L225 PolarHBondContact O-N 3.29Å; R222-L225 VanDerWaalsContact O-N 3.17Å; K223-L225 PolarHBondContact O-N 3.26Å; L225-Q227 HydrophobicContact CB-CG 3.91Å; L225-Q227 PolarHBondContact O-N 2.98Å
226K95.3Very high95.6Very high197 Ų19754.8 Ų54.886%0.85727%0.265SS*.THydrogen-bonded Turntrans53.238-174.1-56.3-179.1-179.5-179.80113.2R222 K223 L224R222-K226 PolarHBondContact O-N 2.99Å; K223-K226 PolarHBondContact O-N 3.16Å; L224-K226 VanDerWaalsContact C-N 3.31Å
227Q95Very high94.7Very high90 Ų9061.1 Ų61.142%0.42130%0.296SS..  trans-99159.1177.8-67.7-178.7-1300111.1R222 L225 I229R222-Q227 HydrophobicContact CB-CB 4.35Å; R222-Q227 PolarHBondContact O-N 2.8Å; L225-Q227 HydrophobicContact CB-CG 3.91Å; L225-Q227 PolarHBondContact O-N 2.98Å; Q227-I229 PolarHBondContact O-N 2.92Å
228D93.7Very high94.3Very high73 Ų7362.4 Ų62.439%0.3930%0.302SS..  trans-59.6136.5172.2-173.731.8000110.9R222 Q230 K240 N243R222-D228 WeakPolarHBondContact CD-O 3.42Å; D228-Q230 PolarHBondContact OD1-N 2.87Å; D228-Q230 WeakPolarHBondContact OD2-CB 2.91Å; D228-K240 IonicContact OD1-NZ 3.66Å; D228-N243 PolarHBondContact OD2-ND2 3.28Å
229I96.6Very high94Very high17 Ų1764.7 Ų64.79%0.08731%0.312CS..  trans-98.7-3.4-178.262.5167.6000112.5Y218 I219 R222 K223 Q227 F232 D234Y218-I229 WeakPolarHBondContact CE1-O 3.45Å; I219-I229 HydrophobicContact CG1-CB 4.47Å; I219-I229 HydrophobicContact CG2-CD1 4.42Å; I219-I229 HydrophobicContact CG2-CG2 4.42Å; R222-I229 HydrophobicContact CB-CG2 3.78Å; K223-I229 HydrophobicContact CG-CG2 4.03Å; Q227-I229 PolarHBondContact O-N 2.92Å; I229-F232 CarbonylContact C-O 3.6Å; I229-F232 WeakPolarHBondContact O-CA 3.13Å; I229-F232 WeakPolarHBondContact O-CB 3.32Å; I229-F232 PolarHBondContact O-N 3.24Å; I229-D234 HydrophobicContact CD1-CB 4.07Å
230Q97Very high93.9Very high2 Ų267.3 Ų67.31%0.00932%0.323CS..THydrogen-bonded Turntrans-56.3146.3176.8-74.2-163.116.500111.8Y218 D228 F232 C241 N243 Y293Y218-Q230 PolarHBondContact OH-O 2.72Å; D228-Q230 PolarHBondContact OD1-N 2.87Å; D228-Q230 WeakPolarHBondContact OD2-CB 2.91Å; Q230-F232 VanDerWaalsContact C-N 3.29Å; Q230-F232 VanDerWaalsContact CA-N 3.34Å; Q230-C241 PolarHBondContact NE2-O 3.09Å; Q230-N243 WeakPolarHBondContact CB-ND2 3.22Å; Q230-N243 PolarHBondContact OE1-OD1 2.98Å; Q230-Y293 HydrophobicContact CG-CD2 3.77Å; Q230-Y293 HydrophobicContact CG-CE2 3.95Å
231P97.7Very high93.9Very high1 Ų164 Ų641%0.00631%0.309CS..THydrogen-bonded Turncis-78-38.933.3-37.4000114.8W202 F210 Y244 Y293W202-P231 HydrophobicContact CD2-CB 4.42Å; W202-P231 HydrophobicContact CD2-CG 4.27Å; W202-P231 HydrophobicContact CE3-CB 3.83Å; W202-P231 HydrophobicContact CE3-CG 4.17Å; W202-P231 HydrophobicContact CH2-CB 3.55Å; W202-P231 HydrophobicContact CH2-CG 3.65Å; W202-P231 HydrophobicContact CZ2-CB 4.16Å; W202-P231 HydrophobicContact CZ2-CG 3.74Å; W202-P231 HydrophobicContact CZ3-CB 3.36Å; W202-P231 HydrophobicContact CZ3-CG 3.88Å; F210-P231 HydrophobicContact CE2-CG 3.86Å; F210-P231 HydrophobicContact CZ-CG 4.35Å; P231-Y244 HydrophobicContact CB-CD1 4Å; P231-Y244 HydrophobicContact CB-CE1 3.94Å; P231-Y293 PolarHBondContact O-N 3.36Å
232F97.4Very high93.9Very high0 Ų061.3 Ų61.30%030%0.298CS..BIsolated β-bridgetrans-78.2168.5177.3-51.4-57.4000113.1F210 C215 Y218 I219 I229 Q230 C290 P291 Y293F210-F232 AromaticContact CD2-CE2 3.89Å; F210-F232 HydrophobicContact CD2-CE2 3.89Å; F210-F232 HydrophobicContact CD2-CZ 4.2Å; F210-F232 AromaticContact CE2-CE2 3.87Å; F210-F232 HydrophobicContact CE2-CE2 3.87Å; F210-F232 AromaticContact CE2-CZ 3.77Å; F210-F232 HydrophobicContact CE2-CZ 3.77Å; C215-F232 HydrophobicContact CB-CD1 3.74Å; C215-F232 HydrophobicContact CB-CD2 3.79Å; C215-F232 HydrophobicContact CB-CE1 3.57Å; C215-F232 HydrophobicContact CB-CE2 3.61Å; C215-F232 HydrophobicContact CB-CG 3.86Å; C215-F232 HydrophobicContact CB-CZ 3.5Å; Y218-F232 AromaticContact CD1-CD2 3.47Å; Y218-F232 HydrophobicContact CD1-CD2 3.47Å; Y218-F232 VanDerWaalsContact CD1-CD2 3.47Å; Y218-F232 AromaticContact CD1-CE2 3.76Å; Y218-F232 HydrophobicContact CD1-CE2 3.76Å; Y218-F232 AromaticContact CE1-CD2 3.8Å; Y218-F232 HydrophobicContact CE1-CD2 3.8Å; Y218-F232 HydrophobicContact CE1-CE2 4.19Å; Y218-F232 HydrophobicContact CG-CD2 4.31Å; Y218-F232 HydrophobicContact CG-CE2 4.19Å; I219-F232 HydrophobicContact CD1-CB 3.79Å; I219-F232 HydrophobicContact CD1-CG 4.37Å; I219-F232 HydrophobicContact CG1-CB 3.86Å; I219-F232 HydrophobicContact CG1-CD2 4.37Å; I219-F232 HydrophobicContact CG1-CG 4.44Å; I229-F232 CarbonylContact C-O 3.6Å; I229-F232 WeakPolarHBondContact O-CA 3.13Å; I229-F232 WeakPolarHBondContact O-CB 3.32Å; I229-F232 PolarHBondContact O-N 3.24Å; Q230-F232 VanDerWaalsContact C-N 3.29Å; Q230-F232 VanDerWaalsContact CA-N 3.34Å; F232-C290 HydrophobicContact CD1-CB 3.8Å; F232-C290 HydrophobicContact CE1-CB 3.58Å; F232-P291 CarbonylContact C-O 3.43Å; F232-P291 WeakPolarHBondContact CA-O 3.27Å; F232-P291 WeakPolarHBondContact CB-O 3.42Å; F232-P291 WeakPolarHBondContact CD1-O 3.45Å; F232-Y293 WeakPolarHBondContact O-CD2 3.25Å; F232-Y293 WeakPolarHBondContact O-CE2 3.47Å
233C96Very high93.7Very high0 Ų062.3 Ų62.30%031%0.307CS..  trans-148.2164.4-177.467.70000112.2C251 P291 T292 Y293C233-C251 HydrophobicContact CB-CB 3.62Å; C233-C251 WeakPolarHBondContact CB-SG 3.43Å; C233-C251 WeakPolarHBondContact SG-CA 3.28Å; C233-C251 WeakPolarHBondContact SG-CB 3.49Å; C233-C251 CovalentContact SG-SG 2.02Å; C233-C251 PolarHBondContact SG-SG 2.92Å; C233-P291 PolarHBondContact N-O 2.94Å; C233-P291 WeakPolarHBondContact O-CB 3.29Å; C233-T292 VanDerWaalsContact SG-C 3.59Å; C233-T292 PolarHBondContact SG-N 3.21Å; C233-Y293 HydrophobicContact CB-CD1 4.43Å; C233-Y293 HydrophobicContact CB-CD2 3.55Å; C233-Y293 HydrophobicContact CB-CE1 4.23Å; C233-Y293 HydrophobicContact CB-CE2 3.31Å; C233-Y293 HydrophobicContact CB-CG 4.11Å
234D93.3Very high93.7Very high50 Ų5059.5 Ų59.527%0.26730%0.295SS..SBendtrans-135.4-4.1-176.764.1-20.6000114.3K223 I229 F271K223-D234 WeakPolarHBondContact CE-OD2 3.45Å; K223-D234 IonicContact NZ-OD2 2.64Å; K223-D234 PolarHBondContact NZ-OD2 2.78Å; I229-D234 HydrophobicContact CD1-CB 4.07Å; D234-F271 HydrophobicContact CB-CD1 4.41Å; D234-F271 HydrophobicContact CB-CE1 4.03Å; D234-F271 HydrophobicContact CB-CZ 4.37Å
235N89.6Confident93.7Very high79 Ų7953.2 Ų53.242%0.42226%0.262SS..SBendtrans-117.4107.3179.6-172.311.9000110.1H238 C251N235-H238 HydrophobicContact CB-CB 3.94Å; N235-H238 VanDerWaalsContact O-CB 3.25Å; N235-H238 WeakPolarHBondContact O-CB 3.45Å; N235-H238 PolarHBondContact O-N 3.1Å; N235-C251 WeakPolarHBondContact O-CB 3.23Å; N235-C251 PolarHBondContact O-SG 3.34Å
236P86.4Confident93.6Very high36 Ų3650.3 Ų50.323%0.23425%0.245CC..THydrogen-bonded Turntrans-52.5138.8-177.6-24.932.5000112.9H238 I253P236-H238 PolarHBondContact O-N 3.1Å; P236-I253 HydrophobicContact CB-CB 4.41Å; P236-I253 HydrophobicContact CG-CB 4.29Å; P236-I253 HydrophobicContact CG-CD1 4.16Å
237E79.6Confident93.6Very high164 Ų16440.9 Ų40.977%0.76620%0.204SC*.THydrogen-bonded Turntrans59.15.9175.6-54.8-174.8166.500115.5Q239 C251E237-Q239 PolarHBondContact O-N 3.29Å; E237-C251 PolarHBondContact N-O 3.07Å; E237-C251 VanDerWaalsContact N-O 3.09Å
238H89.5Confident93.7Very high66 Ų6636.6 Ų36.631%0.30618%0.184SC..  trans-64.1132.3174.3-177.1-123.4000109.8N235 P236 Y250 C251 Y293N235-H238 HydrophobicContact CB-CB 3.94Å; N235-H238 VanDerWaalsContact O-CB 3.25Å; N235-H238 WeakPolarHBondContact O-CB 3.45Å; N235-H238 PolarHBondContact O-N 3.1Å; P236-H238 PolarHBondContact O-N 3.1Å; H238-Y250 WeakPolarHBondContact O-CA 3.49Å; H238-C251 HydrophobicContact CB-CB 4.49Å; H238-C251 PolarHBondContact O-N 2.83Å; H238-Y293 AromaticContact ND1-CZ 4Å; H238-Y293 PolarHBondContact ND1-OH 3.02Å; H238-Y293 WeakPolarHBondContact O-CE1 3.47Å
239Q93Very high93.8Very high50 Ų5033.1 Ų33.123%0.23417%0.165CC..EExtended strand (participates in β ladder)trans-100.5134.9177.1-63.6-17114.800110.7E237 I248 G249 T351E237-Q239 PolarHBondContact O-N 3.29Å; Q239-I248 HydrophobicContact CB-CG2 4.34Å; Q239-G249 VanDerWaalsContact CA-O 3.23Å; Q239-G249 WeakPolarHBondContact CA-O 3.39Å; Q239-T351 PolarHBondContact O-OG1 3.46Å
240K94.5Very high93.7Very high61 Ų6135.9 Ų35.927%0.26518%0.175SC..EExtended strand (participates in β ladder)trans-152.8152.5-179-163.8173.9175.4-171.60110.6D228 L242 G249 Y293 D333 S352D228-K240 IonicContact OD1-NZ 3.66Å; K240-L242 PolarHBondContact O-N 3.27Å; K240-G249 PolarHBondContact N-O 2.93Å; K240-G249 WeakPolarHBondContact O-CA 3.41Å; K240-G249 PolarHBondContact O-N 3.37Å; K240-Y293 HydrophobicContact CB-CD1 4.48Å; K240-Y293 HydrophobicContact CB-CE1 3.87Å; K240-D333 WeakPolarHBondContact CA-OD1 3.38Å; K240-D333 WeakPolarHBondContact CE-OD2 3.49Å; K240-D333 VanDerWaalsContact CG-OD2 3.26Å; K240-D333 WeakPolarHBondContact CG-OD2 3.44Å; K240-S352 VanDerWaalsContact CA-OG 3.26Å; K240-S352 WeakPolarHBondContact CA-OG 3.33Å
241C96.5Very high93.6Very high16 Ų1635.9 Ų35.911%0.10818%0.175CC..EExtended strand (participates in β ladder)trans-61.2136.2167.5-62.70000111.9Q230 C331 F332 D333 S352Q230-C241 PolarHBondContact NE2-O 3.09Å; C241-C331 WeakPolarHBondContact CA-SG 3.43Å; C241-C331 HydrophobicContact CB-CB 3.64Å; C241-C331 WeakPolarHBondContact CB-SG 3.11Å; C241-C331 WeakPolarHBondContact SG-CB 3.5Å; C241-C331 PolarHBondContact SG-O 3.18Å; C241-C331 CovalentContact SG-SG 2.03Å; C241-C331 PolarHBondContact SG-SG 2.87Å; C241-F332 VanDerWaalsContact SG-CA 3.53Å; C241-F332 PolarHBondContact SG-N 2.77Å; C241-D333 PolarHBondContact N-OD1 3.29Å; C241-D333 PolarHBondContact SG-N 2.99Å; C241-D333 PolarHBondContact SG-OD1 3.33Å; C241-D333 VanDerWaalsContact SG-OD1 3.33Å; C241-S352 PolarHBondContact N-OG 2.67Å
242L96.4Very high93.6Very high12 Ų1236 Ų366%0.06318%0.176CC..  trans-78.3136.1177.5-63.9178.6000110.4K240 Y244 A247 Y293 M295K240-L242 PolarHBondContact O-N 3.27Å; L242-Y244 VanDerWaalsContact C-N 3.27Å; L242-Y244 HydrophobicContact CB-CD1 4.23Å; L242-Y244 HydrophobicContact CB-CE1 4.06Å; L242-Y244 HydrophobicContact CD1-CE1 4.1Å; L242-Y244 HydrophobicContact CD1-CE2 3.96Å; L242-Y244 VanDerWaalsContact CD1-OH 3.31Å; L242-Y244 WeakPolarHBondContact CD1-OH 3.41Å; L242-Y244 HydrophobicContact CD2-CD1 4.43Å; L242-Y244 HydrophobicContact CD2-CE1 3.56Å; L242-Y244 HydrophobicContact CG-CE1 4.1Å; L242-A247 HydrophobicContact CD1-CB 3.97Å; L242-A247 PolarHBondContact N-O 3.43Å; L242-Y293 VanDerWaalsContact CD2-CB 3.45Å; L242-Y293 HydrophobicContact CD2-CG 4.32Å; L242-M295 HydrophobicContact CD1-CE 4.16Å; L242-M295 HydrophobicContact CD1-CG 3.41Å; L242-M295 VanDerWaalsContact CD1-CG 3.41Å; L242-M295 HydrophobicContact CD1-SD 4.38Å
243N93.5Very high93.5Very high69 Ų6936.7 Ų36.737%0.36918%0.18SC..SBendtrans-80.4-13.1174.970.73.1000112.8D228 Q230D228-N243 PolarHBondContact OD2-ND2 3.28Å; Q230-N243 WeakPolarHBondContact CB-ND2 3.22Å; Q230-N243 PolarHBondContact OE1-OD1 2.98Å
244Y94.8Very high93.4Very high5 Ų541.8 Ų41.82%0.0220%0.202CC..SBendtrans-106.6-4.9-175.464.2-96.8000114.3W202 P231 L242 Y293 M295W202-Y244 AromaticContact CE3-CD1 3.75Å; W202-Y244 HydrophobicContact CE3-CD1 3.75Å; W202-Y244 AromaticContact CE3-CD2 3.77Å; W202-Y244 HydrophobicContact CE3-CD2 3.77Å; W202-Y244 AromaticContact CE3-CE1 3.8Å; W202-Y244 HydrophobicContact CE3-CE1 3.8Å; W202-Y244 AromaticContact CE3-CE2 3.8Å; W202-Y244 HydrophobicContact CE3-CE2 3.8Å; W202-Y244 AromaticContact CE3-CG 3.73Å; W202-Y244 HydrophobicContact CE3-CG 3.73Å; W202-Y244 AromaticContact CE3-CZ 3.84Å; W202-Y244 HydrophobicContact CZ3-CD1 4.08Å; W202-Y244 HydrophobicContact CZ3-CD2 4.45Å; W202-Y244 AromaticContact CZ3-CE1 3.67Å; W202-Y244 HydrophobicContact CZ3-CE1 3.67Å; W202-Y244 HydrophobicContact CZ3-CE2 4.07Å; W202-Y244 HydrophobicContact CZ3-CG 4.45Å; W202-Y244 AromaticContact CZ3-CZ 3.68Å; P231-Y244 HydrophobicContact CB-CD1 4Å; P231-Y244 HydrophobicContact CB-CE1 3.94Å; L242-Y244 VanDerWaalsContact C-N 3.27Å; L242-Y244 HydrophobicContact CB-CD1 4.23Å; L242-Y244 HydrophobicContact CB-CE1 4.06Å; L242-Y244 HydrophobicContact CD1-CE1 4.1Å; L242-Y244 HydrophobicContact CD1-CE2 3.96Å; L242-Y244 VanDerWaalsContact CD1-OH 3.31Å; L242-Y244 WeakPolarHBondContact CD1-OH 3.41Å; L242-Y244 HydrophobicContact CD2-CD1 4.43Å; L242-Y244 HydrophobicContact CD2-CE1 3.56Å; L242-Y244 HydrophobicContact CG-CE1 4.1Å; Y244-Y293 PolarHBondContact OH-O 3.38Å; Y244-M295 HydrophobicContact CD2-CE 4.32Å; Y244-M295 HydrophobicContact CE2-CE 3.51Å
245D94.5Very high93.4Very high18 Ų1844.6 Ų44.610%0.09621%0.213CC..SBendtrans-157.6163.3173.4-149.1-31.5000110.8N163 S173 A247 M295 R307N163-D245 PolarHBondContact ND2-OD2 3.21Å; S173-D245 WeakPolarHBondContact CB-OD2 3.48Å; S173-D245 PolarHBondContact OG-OD2 2.89Å; D245-A247 HydrophobicContact CB-CB 4.41Å; D245-A247 PolarHBondContact O-N 3.28Å; D245-M295 HydrophobicContact CB-CE 3.97Å; D245-R307 IonicContact OD1-NE 2.71Å
246K94.9Very high93.7Very high50 Ų5042.5 Ų42.522%0.21720%0.201CC..SBendtrans-79.968.7173.5-63.7-175.6-176.7177.10109.9C306 R307 P327 S329K246-C306 WeakPolarHBondContact O-CB 3.47Å; K246-C306 PolarHBondContact O-N 2.81Å; K246-R307 HydrophobicContact CB-CB 4.46Å; K246-R307 HydrophobicContact CD-CB 4.35Å; K246-P327 PolarHBondContact NZ-O 2.82Å; K246-S329 WeakPolarHBondContact CD-O 3.37Å
247A96.2Very high94.1Very high0 Ų050.5 Ų50.50%023%0.232CC..BIsolated β-bridgetrans-149158-173.100000112.5L242 D245 M295 S304 V305L242-A247 HydrophobicContact CD1-CB 3.97Å; L242-A247 PolarHBondContact N-O 3.43Å; D245-A247 HydrophobicContact CB-CB 4.41Å; D245-A247 PolarHBondContact O-N 3.28Å; A247-M295 HydrophobicContact CB-CG 3.96Å; A247-M295 HydrophobicContact CB-SD 3.97Å; A247-S304 CarbonylContact C-O 3.58Å; A247-S304 VanDerWaalsContact CA-O 3.22Å; A247-S304 WeakPolarHBondContact CA-O 3.3Å; A247-S304 WeakPolarHBondContact CB-O 3.21Å; A247-V305 HydrophobicContact CB-CB 4.46Å; A247-V305 HydrophobicContact CB-CG2 4.19Å
248I96Very high94.8Very high0 Ų048.8 Ų48.80%023%0.228CC..EExtended strand (participates in β ladder)trans-85.2126.3168.8-52165.9000107.5Q239 F296 S304Q239-I248 HydrophobicContact CB-CG2 4.34Å; I248-F296 HydrophobicContact CB-CE1 4.44Å; I248-F296 HydrophobicContact CG2-CE1 4.12Å; I248-F296 HydrophobicContact CG2-CZ 4.45Å; I248-S304 PolarHBondContact N-O 2.77Å; I248-S304 WeakPolarHBondContact O-CB 3.28Å; I248-S304 PolarHBondContact O-OG 3.04Å; I248-S304 VanDerWaalsContact O-OG 3.08Å
249G96.4Very high95.1Very high0 Ų050.5 Ų50.50%024%0.237CC..EExtended strand (participates in β ladder)trans-103.5153.7174.200000111.7Q239 K240 E294Q239-G249 VanDerWaalsContact CA-O 3.23Å; Q239-G249 WeakPolarHBondContact CA-O 3.39Å; K240-G249 PolarHBondContact N-O 2.93Å; K240-G249 WeakPolarHBondContact O-CA 3.41Å; K240-G249 PolarHBondContact O-N 3.37Å; G249-E294 CarbonylContact C-O 3.57Å; G249-E294 WeakPolarHBondContact CA-O 3.39Å
250Y94.7Very high95.3Very high74 Ų7448.6 Ų48.629%0.2923%0.228SC..EExtended strand (participates in β ladder)trans-119.9140.5167.479.5-69.4000109.8H238 V252 Y293 E294 F296H238-Y250 WeakPolarHBondContact O-CA 3.49Å; Y250-V252 HydrophobicContact CD1-CG2 4.49Å; Y250-V252 HydrophobicContact CD2-CG2 4.02Å; Y250-V252 HydrophobicContact CE1-CG2 3.84Å; Y250-V252 HydrophobicContact CE2-CG2 3.36Å; Y250-V252 PolarHBondContact O-N 3.22Å; Y250-V252 WeakPolarHBondContact OH-CG2 3.27Å; Y250-Y293 CarbonylContact O-C 3.59Å; Y250-Y293 WeakPolarHBondContact O-CA 3.17Å; Y250-E294 HydrophobicContact CD1-CB 4.4Å; Y250-E294 WeakPolarHBondContact CD1-O 3.41Å; Y250-E294 HydrophobicContact CE1-CB 3.84Å; Y250-E294 PolarHBondContact N-O 3.42Å; Y250-E294 PolarHBondContact O-N 3.3Å; Y250-F296 HydrophobicContact CD1-CB 3.56Å; Y250-F296 AromaticContact CD1-CD1 3.44Å; Y250-F296 HydrophobicContact CD1-CD1 3.44Å; Y250-F296 VanDerWaalsContact CD1-CD1 3.44Å; Y250-F296 HydrophobicContact CD1-CE1 4.31Å; Y250-F296 AromaticContact CD1-CG 3.65Å; Y250-F296 HydrophobicContact CD1-CG 3.65Å; Y250-F296 HydrophobicContact CE1-CB 3.49Å; Y250-F296 VanDerWaalsContact CE1-CB 3.49Å; Y250-F296 HydrophobicContact CE1-CD1 4.27Å; Y250-F296 HydrophobicContact CE1-CG 4.13Å; Y250-F296 HydrophobicContact CG-CD1 4.09Å; Y250-F296 HydrophobicContact CG-CG 4.32Å
251C95.9Very high95.5Very high2 Ų249 Ų491%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-74.4112.9-179.9177.80000111.3C233 N235 E237 H238 I253 Y293C233-C251 HydrophobicContact CB-CB 3.62Å; C233-C251 WeakPolarHBondContact CB-SG 3.43Å; C233-C251 WeakPolarHBondContact SG-CA 3.28Å; C233-C251 WeakPolarHBondContact SG-CB 3.49Å; C233-C251 CovalentContact SG-SG 2.02Å; C233-C251 PolarHBondContact SG-SG 2.92Å; N235-C251 WeakPolarHBondContact O-CB 3.23Å; N235-C251 PolarHBondContact O-SG 3.34Å; E237-C251 PolarHBondContact N-O 3.07Å; E237-C251 VanDerWaalsContact N-O 3.09Å; H238-C251 HydrophobicContact CB-CB 4.49Å; H238-C251 PolarHBondContact O-N 2.83Å; C251-I253 PolarHBondContact O-N 2.73Å; C251-Y293 HydrophobicContact CB-CD1 4.1Å; C251-Y293 HydrophobicContact CB-CE1 3.87Å
252V95.9Very high95.5Very high5 Ų552.3 Ų52.33%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-85.1104.2176.7-177.90000110Y250 K254 G283 T292 E294Y250-V252 HydrophobicContact CD1-CG2 4.49Å; Y250-V252 HydrophobicContact CD2-CG2 4.02Å; Y250-V252 HydrophobicContact CE1-CG2 3.84Å; Y250-V252 HydrophobicContact CE2-CG2 3.36Å; Y250-V252 PolarHBondContact O-N 3.22Å; Y250-V252 WeakPolarHBondContact OH-CG2 3.27Å; V252-K254 HydrophobicContact CG1-CD 4.31Å; V252-G283 VanDerWaalsContact O-CA 3.29Å; V252-G283 WeakPolarHBondContact O-CA 3.37Å; V252-T292 PolarHBondContact N-O 3.37Å; V252-E294 HydrophobicContact CB-CG 4.32Å; V252-E294 HydrophobicContact CG2-CB 3.8Å; V252-E294 VanDerWaalsContact CG2-CD 3.43Å; V252-E294 HydrophobicContact CG2-CG 3.7Å
253I95.3Very high95.6Very high14 Ų1453 Ų537%0.07226%0.258CS..  trans-137.7111.6165.3-51.4178.2000106.3P236 C251 I267 F271 Y281 A282 P291P236-I253 HydrophobicContact CB-CB 4.41Å; P236-I253 HydrophobicContact CG-CB 4.29Å; P236-I253 HydrophobicContact CG-CD1 4.16Å; C251-I253 PolarHBondContact O-N 2.73Å; I253-I267 HydrophobicContact CG2-CD1 3.96Å; I253-F271 HydrophobicContact CD1-CD1 3.75Å; I253-F271 HydrophobicContact CD1-CE1 3.76Å; I253-Y281 HydrophobicContact CG2-CD1 4.07Å; I253-A282 WeakPolarHBondContact CA-O 3.15Å; I253-P291 HydrophobicContact CD1-CB 3.96Å; I253-P291 HydrophobicContact CD1-CG 4.4Å; I253-P291 HydrophobicContact CG1-CB 3.81Å; I253-P291 HydrophobicContact CG1-CG 4.29Å
254K94.1Very high95.8Very high107 Ų10752.1 Ų52.147%0.46525%0.25SC..EExtended strand (participates in β ladder)trans-134158.4-174.567.8-166.9179-168.80111.2V252 M256 Y281 A282V252-K254 HydrophobicContact CG1-CD 4.31Å; K254-M256 HydrophobicContact CD-CE 4.18Å; K254-M256 HydrophobicContact CG-CE 3.37Å; K254-M256 WeakPolarHBondContact O-CE 3.06Å; K254-Y281 WeakPolarHBondContact O-CA 3.3Å; K254-A282 PolarHBondContact N-O 3.22Å; K254-A282 PolarHBondContact O-N 3.3Å
255Q94.8Very high95.9Very high109 Ų10952 Ų5251%0.50925%0.25SC..EExtended strand (participates in β ladder)trans-76.1126.8173.6-167.8168.2-4.500110.4Y280 Y281Q255-Y280 CarbonylContact C-O 3.53Å; Q255-Y281 HydrophobicContact CB-CD2 4.02Å; Q255-Y281 HydrophobicContact CB-CE1 4.38Å; Q255-Y281 HydrophobicContact CB-CE2 3.52Å; Q255-Y281 HydrophobicContact CG-CD2 4.06Å; Q255-Y281 HydrophobicContact CG-CE2 3.61Å; Q255-Y281 PolarHBondContact OE1-OH 3.35Å
256M94.7Very high96.1Very high35 Ų3551.2 Ų51.217%0.17225%0.245CC..  trans-83.8153.3173.4-58.3-59.114300110.3K254 N258 L260 Y280 A282 G283K254-M256 HydrophobicContact CD-CE 4.18Å; K254-M256 HydrophobicContact CG-CE 3.37Å; K254-M256 WeakPolarHBondContact O-CE 3.06Å; M256-N258 VanDerWaalsContact C-N 3.3Å; M256-N258 PolarHBondContact O-N 2.71Å; M256-L260 HydrophobicContact CG-CD2 4Å; M256-L260 HydrophobicContact CG-CG 4.3Å; M256-Y280 VanDerWaalsContact CB-O 3.3Å; M256-Y280 WeakPolarHBondContact CB-O 3.49Å; M256-Y280 WeakPolarHBondContact CG-O 3.1Å; M256-Y280 PolarHBondContact N-O 3.23Å; M256-A282 HydrophobicContact CE-CB 3.86Å; M256-A282 WeakPolarHBondContact CE-O 3.49Å; M256-A282 HydrophobicContact CG-CB 4.3Å; M256-G283 WeakPolarHBondContact CE-O 3.42Å
257K94.3Very high96.1Very high203 Ų20348.9 Ų48.988%0.88324%0.235SC*.SBendtrans-65.2-34.8178.4-66.6-178.5-179.6175.80112.6
258N94.8Very high96Very high128 Ų12849.9 Ų49.968%0.68424%0.241SC*.SBendtrans-121159.4-176.8-60.2-42.5000110.1M256 L260 Y280M256-N258 VanDerWaalsContact C-N 3.3Å; M256-N258 PolarHBondContact O-N 2.71Å; N258-L260 PolarHBondContact O-N 2.74Å; N258-Y280 VanDerWaalsContact C-CD1 3.49Å
259E96.5Very high95.7Very high103 Ų10355.8 Ų55.848%0.48127%0.272SS..PPolyproline II helixtrans-61.6135.4172.3-169.8174.7-177.600110.2Q265 T279 Y280E259-Q265 PolarHBondContact OE1-NE2 3.3Å; E259-T279 WeakPolarHBondContact OE1-CB 3.03Å; E259-Y280 HydrophobicContact CB-CD1 4.41Å; E259-Y280 HydrophobicContact CB-CE1 3.84Å
260L97.5Very high95.3Very high10 Ų1059.4 Ų59.45%0.05229%0.294CS..PPolyproline II helixtrans-73.5147.3179.2-69.3159.6000111.2M256 N258 Q265 T279 Y281 A282 Y289M256-L260 HydrophobicContact CG-CD2 4Å; M256-L260 HydrophobicContact CG-CG 4.3Å; N258-L260 PolarHBondContact O-N 2.74Å; L260-Q265 HydrophobicContact CB-CG 3.8Å; L260-Q265 PolarHBondContact O-NE2 3.14Å; L260-T279 WeakPolarHBondContact CB-O 3.29Å; L260-T279 PolarHBondContact N-O 2.91Å; L260-Y281 VanDerWaalsContact CD1-O 3.29Å; L260-Y281 WeakPolarHBondContact CD1-O 3.41Å; L260-A282 HydrophobicContact CD1-CB 3.43Å; L260-A282 VanDerWaalsContact CD1-CB 3.43Å; L260-A282 HydrophobicContact CD2-CB 4.09Å; L260-A282 HydrophobicContact CG-CB 4.37Å; L260-Y289 HydrophobicContact CD2-CD1 3.51Å; L260-Y289 HydrophobicContact CD2-CD2 4.39Å; L260-Y289 HydrophobicContact CD2-CE1 3.71Å; L260-Y289 HydrophobicContact CD2-CG 3.88Å
261P97.1Very high95.1Very high68 Ų6856.3 Ų56.344%0.44228%0.282SS..PPolyproline II helixtrans-56.9143.3167.8-2333.4000111.8P263 Y264 Q265P261-P263 VanDerWaalsContact C-N 3.32Å; P261-P263 VanDerWaalsContact O-N 3.13Å; P261-Y264 HydrophobicContact CB-CD2 3.9Å; P261-Y264 HydrophobicContact CB-CE2 4.49Å; P261-Y264 HydrophobicContact CG-CD2 4Å; P261-Y264 PolarHBondContact O-N 3.34Å; P261-Q265 PolarHBondContact O-N 3.13Å
262L97.7Very high94.6Very high87 Ų8763.4 Ų63.446%0.45532%0.32SS..G310 helixtrans-50-39.1-175.8-60.7173.4000115.3S116 R118 F121 Y264 Q265S116-L262 WeakPolarHBondContact CB-O 3.23Å; S116-L262 PolarHBondContact OG-O 2.91Å; R118-L262 HydrophobicContact CB-CB 4.45Å; R118-L262 HydrophobicContact CB-CD2 4.26Å; R118-L262 HydrophobicContact CG-CD2 4.08Å; F121-L262 HydrophobicContact CE1-CB 3.76Å; F121-L262 HydrophobicContact CE1-CD1 4.24Å; F121-L262 HydrophobicContact CE2-CB 4.28Å; F121-L262 HydrophobicContact CZ-CB 3.51Å; F121-L262 HydrophobicContact CZ-CD1 4.39Å; L262-Y264 PolarHBondContact O-N 3.23Å; L262-Q265 PolarHBondContact O-N 3.1Å
263P98Very high94.3Very high25 Ų2563.8 Ų63.816%0.16232%0.322CS..G310 helixtrans-64.4-20.6177.1-21.733.7000114.4W114 S116 F121 I123 P261 Y266W114-P263 VanDerWaalsContact CD1-O 3.32Å; S116-P263 WeakPolarHBondContact CB-O 3.1Å; F121-P263 HydrophobicContact CB-CB 4.14Å; F121-P263 HydrophobicContact CB-CG 3.96Å; F121-P263 HydrophobicContact CD1-CG 3.96Å; F121-P263 HydrophobicContact CD2-CB 4.06Å; F121-P263 HydrophobicContact CD2-CG 4.13Å; F121-P263 HydrophobicContact CG-CB 4.06Å; F121-P263 HydrophobicContact CG-CG 3.73Å; I123-P263 HydrophobicContact CG2-CB 4.18Å; P261-P263 VanDerWaalsContact C-N 3.32Å; P261-P263 VanDerWaalsContact O-N 3.13Å; P263-Y266 VanDerWaalsContact O-CE1 3.32Å; P263-Y266 WeakPolarHBondContact O-CE1 3.33Å
264Y97.8Very high94Very high51 Ų5166 Ų6620%0.234%0.339CS..G310 helixtrans-107.21.8-174.8-56-50.4000113.4P261 L262 Y266 D288 Y289P261-Y264 HydrophobicContact CB-CD2 3.9Å; P261-Y264 HydrophobicContact CB-CE2 4.49Å; P261-Y264 HydrophobicContact CG-CD2 4Å; P261-Y264 PolarHBondContact O-N 3.34Å; L262-Y264 PolarHBondContact O-N 3.23Å; Y264-Y266 WeakPolarHBondContact CD1-OH 3.28Å; Y264-Y266 WeakPolarHBondContact O-CD2 3.21Å; Y264-Y266 PolarHBondContact O-N 2.9Å; Y264-Y266 VanDerWaalsContact O-N 3.14Å; Y264-D288 HydrophobicContact CE1-CB 4.4Å; Y264-Y289 HydrophobicContact CD1-CD2 4.14Å; Y264-Y289 AromaticContact CD2-CD2 3.82Å; Y264-Y289 HydrophobicContact CD2-CD2 3.82Å; Y264-Y289 AromaticContact CD2-CE2 3.91Å; Y264-Y289 HydrophobicContact CD2-CE2 3.91Å; Y264-Y289 HydrophobicContact CE2-CE2 4.42Å; Y264-Y289 AromaticContact CG-CD2 3.6Å; Y264-Y289 HydrophobicContact CG-CD2 3.6Å; Y264-Y289 HydrophobicContact CG-CE2 4.19Å
265Q97.4Very high93.9Very high3 Ų369 Ų691%0.01435%0.349CS..  trans-81.187.7173.2-67.7-173.915.100110.4S116 A117 R118 E259 L260 P261 L262S116-Q265 WeakPolarHBondContact CB-O 3.48Å; A117-Q265 WeakPolarHBondContact CB-O 3.35Å; A117-Q265 PolarHBondContact N-O 3.09Å; R118-Q265 HydrophobicContact CG-CB 3.87Å; R118-Q265 VanDerWaalsContact CG-OE1 3.28Å; E259-Q265 PolarHBondContact OE1-NE2 3.3Å; L260-Q265 HydrophobicContact CB-CG 3.8Å; L260-Q265 PolarHBondContact O-NE2 3.14Å; P261-Q265 PolarHBondContact O-N 3.13Å; L262-Q265 PolarHBondContact O-N 3.1Å
266Y97.2Very high93.7Very high2 Ų271.1 Ų71.11%0.00836%0.359CS..  trans-93.1-19.4-177.4-50.5-53.5000114.5W114 C215 Y216 P263 Y264 D268 D288 Y289 C290W114-Y266 AromaticContact NE1-CE1 3.79Å; W114-Y266 AromaticContact NE1-CZ 3.85Å; W114-Y266 PolarHBondContact NE1-OH 3.45Å; C215-Y266 WeakPolarHBondContact SG-CE2 3.29Å; Y216-Y266 WeakPolarHBondContact CD2-O 3.42Å; Y216-Y266 VanDerWaalsContact CE2-O 3.31Å; Y216-Y266 WeakPolarHBondContact CE2-O 3.47Å; P263-Y266 VanDerWaalsContact O-CE1 3.32Å; P263-Y266 WeakPolarHBondContact O-CE1 3.33Å; Y264-Y266 WeakPolarHBondContact CD1-OH 3.28Å; Y264-Y266 WeakPolarHBondContact O-CD2 3.21Å; Y264-Y266 PolarHBondContact O-N 2.9Å; Y264-Y266 VanDerWaalsContact O-N 3.14Å; Y266-D268 PolarHBondContact O-N 3.01Å; Y266-D288 WeakPolarHBondContact CE2-O 3.4Å; Y266-D288 PolarHBondContact OH-O 3.22Å; Y266-Y289 WeakPolarHBondContact CD2-O 3.4Å; Y266-C290 HydrophobicContact CE2-CB 4.45Å
267I95.3Very high93.7Very high1 Ų172 Ų721%0.00536%0.364CS..  trans-75.2115-173.6-52.8-56.8000109.3I253 F271 V273 R278 Y281 P291I253-I267 HydrophobicContact CG2-CD1 3.96Å; I267-F271 HydrophobicContact CD1-CD1 3.67Å; I267-F271 HydrophobicContact CD1-CD2 4.33Å; I267-F271 HydrophobicContact CD1-CE1 3.6Å; I267-F271 HydrophobicContact CD1-CE2 4.3Å; I267-F271 HydrophobicContact CD1-CG 4.03Å; I267-F271 HydrophobicContact CD1-CZ 3.95Å; I267-F271 HydrophobicContact CG2-CB 3.6Å; I267-F271 HydrophobicContact CG2-CD1 4.43Å; I267-F271 HydrophobicContact CG2-CD2 4.11Å; I267-F271 HydrophobicContact CG2-CG 3.81Å; I267-V273 HydrophobicContact CG2-CB 3.93Å; I267-V273 HydrophobicContact CG2-CG1 4.39Å; I267-V273 HydrophobicContact CG2-CG2 3.97Å; I267-R278 HydrophobicContact CB-CB 4.38Å; I267-R278 HydrophobicContact CG2-CB 4.25Å; I267-R278 HydrophobicContact CG2-CG 3.95Å; I267-R278 WeakPolarHBondContact O-CB 3.34Å; I267-Y281 WeakPolarHBondContact CG1-O 3.41Å; I267-P291 HydrophobicContact CD1-CG 3.76Å
268D93.7Very high93.7Very high21 Ų2164.4 Ų64.411%0.11233%0.33CS..  trans-113-161.5177.570.98.1000112.1A117 Y216 Y266 T270 F271 R278A117-D268 HydrophobicContact CB-CB 4.01Å; Y216-D268 HydrophobicContact CE2-CB 4.15Å; Y216-D268 VanDerWaalsContact CE2-OD2 3.22Å; Y216-D268 WeakPolarHBondContact CE2-OD2 3.23Å; Y216-D268 PolarHBondContact OH-OD2 3.02Å; Y266-D268 PolarHBondContact O-N 3.01Å; D268-T270 PolarHBondContact O-N 2.78Å; D268-T270 WeakPolarHBondContact OD1-CA 3.38Å; D268-T270 VanDerWaalsContact OD1-CB 3.27Å; D268-T270 WeakPolarHBondContact OD1-CB 3.45Å; D268-T270 WeakPolarHBondContact OD1-CG2 3.41Å; D268-T270 PolarHBondContact OD1-N 3.04Å; D268-T270 PolarHBondContact OD1-OG1 2.79Å; D268-F271 PolarHBondContact O-N 2.71Å; D268-F271 WeakPolarHBondContact OD1-CD2 3.46Å; D268-R278 PolarHBondContact O-NE 3.47Å
269N90.9Very high93.7Very high124 Ų12459.4 Ų59.466%0.66330%0.304SS*.THydrogen-bonded Turntrans-72-6.5178.864.4-37.2000114.8F271N269-F271 VanDerWaalsContact C-N 3.33Å
270T88.7Confident93.7Very high75 Ų7558.1 Ų58.146%0.4630%0.295SS..THydrogen-bonded Turntrans-84.2-11.6175.172.60000112.9D268D268-T270 PolarHBondContact O-N 2.78Å; D268-T270 WeakPolarHBondContact OD1-CA 3.38Å; D268-T270 VanDerWaalsContact OD1-CB 3.27Å; D268-T270 WeakPolarHBondContact OD1-CB 3.45Å; D268-T270 WeakPolarHBondContact OD1-CG2 3.41Å; D268-T270 PolarHBondContact OD1-N 3.04Å; D268-T270 PolarHBondContact OD1-OG1 2.79Å
271F88.6Confident93.7Very high10 Ų1060.2 Ų60.24%0.04430%0.302CS..SBendtrans-95.1147.4175.3-66.3-101.7000110.5D234 I253 I267 D268 N269 V273 P291D234-F271 HydrophobicContact CB-CD1 4.41Å; D234-F271 HydrophobicContact CB-CE1 4.03Å; D234-F271 HydrophobicContact CB-CZ 4.37Å; I253-F271 HydrophobicContact CD1-CD1 3.75Å; I253-F271 HydrophobicContact CD1-CE1 3.76Å; I267-F271 HydrophobicContact CD1-CD1 3.67Å; I267-F271 HydrophobicContact CD1-CD2 4.33Å; I267-F271 HydrophobicContact CD1-CE1 3.6Å; I267-F271 HydrophobicContact CD1-CE2 4.3Å; I267-F271 HydrophobicContact CD1-CG 4.03Å; I267-F271 HydrophobicContact CD1-CZ 3.95Å; I267-F271 HydrophobicContact CG2-CB 3.6Å; I267-F271 HydrophobicContact CG2-CD1 4.43Å; I267-F271 HydrophobicContact CG2-CD2 4.11Å; I267-F271 HydrophobicContact CG2-CG 3.81Å; D268-F271 PolarHBondContact O-N 2.71Å; D268-F271 WeakPolarHBondContact OD1-CD2 3.46Å; N269-F271 VanDerWaalsContact C-N 3.33Å; F271-V273 HydrophobicContact CB-CG2 4.37Å; F271-V273 PolarHBondContact O-N 2.8Å; F271-P291 HydrophobicContact CE1-CB 4.3Å; F271-P291 HydrophobicContact CE1-CG 3.97Å; F271-P291 HydrophobicContact CZ-CG 4.23Å
272N86.7Confident93.6Very high150 Ų15057 Ų5780%0.80228%0.282SS*.SBendtrans-77.357.4176-168.628.4000112.1
273V88.3Confident93.6Very high14 Ų1452.9 Ų52.99%0.08526%0.26CS..SBendtrans-130.6132.9179.7-178.50000109I267 F271 N277 R278 Y281I267-V273 HydrophobicContact CG2-CB 3.93Å; I267-V273 HydrophobicContact CG2-CG1 4.39Å; I267-V273 HydrophobicContact CG2-CG2 3.97Å; F271-V273 HydrophobicContact CB-CG2 4.37Å; F271-V273 PolarHBondContact O-N 2.8Å; V273-N277 HydrophobicContact CG1-CB 3.93Å; V273-R278 HydrophobicContact CB-CG 4.32Å; V273-R278 HydrophobicContact CG1-CG 4.12Å; V273-R278 PolarHBondContact O-NE 3.12Å; V273-R278 VanDerWaalsContact O-NE 3.09Å; V273-R278 PolarHBondContact O-NH2 2.87Å; V273-Y281 HydrophobicContact CG1-CD1 4.13Å; V273-Y281 HydrophobicContact CG1-CD2 3.82Å; V273-Y281 HydrophobicContact CG1-CE1 4.47Å; V273-Y281 HydrophobicContact CG1-CE2 4.18Å; V273-Y281 HydrophobicContact CG1-CG 3.8Å; V273-Y281 HydrophobicContact CG2-CD1 3.78Å; V273-Y281 HydrophobicContact CG2-CE1 4.23Å; V273-Y281 HydrophobicContact CG2-CG 4.15Å
274S90.8Very high93.4Very high60 Ų6052.2 Ų52.242%0.4226%0.256SS..  trans-59.7145.6178.563.40000111.2E276 N277 R278S274-E276 VanDerWaalsContact C-N 3.27Å; S274-E276 PolarHBondContact O-N 3.38Å; S274-N277 PolarHBondContact O-N 3.42Å; S274-N277 PolarHBondContact OG-ND2 2.87Å; S274-R278 WeakPolarHBondContact O-CG 3.37Å; S274-R278 PolarHBondContact O-N 3.24Å
275Y91.6Very high93.3Very high170 Ų17056.4 Ų56.467%0.66728%0.278SS*.G310 helixtrans-50.2-45-174.5173.6-99.9000113.4N277 R278Y275-N277 VanDerWaalsContact C-N 3.27Å; Y275-N277 PolarHBondContact O-N 3.23Å; Y275-R278 PolarHBondContact O-N 2.72Å
276E90.6Very high93.2Very high154 Ų15458.1 Ų58.172%0.7229%0.286SS*.G310 helixtrans-64-29.5-178.6-64.5152.6-162.400113.1S274S274-E276 VanDerWaalsContact C-N 3.27Å; S274-E276 PolarHBondContact O-N 3.38Å
277N93.3Very high93.2Very high52 Ų5258.1 Ų58.128%0.27829%0.286SS..G310 helixtrans-94.4-11.6-175.4-73-26.7000113.3V273 S274 Y275 T279 Y280 Y281V273-N277 HydrophobicContact CG1-CB 3.93Å; S274-N277 PolarHBondContact O-N 3.42Å; S274-N277 PolarHBondContact OG-ND2 2.87Å; Y275-N277 VanDerWaalsContact C-N 3.27Å; Y275-N277 PolarHBondContact O-N 3.23Å; N277-T279 PolarHBondContact O-N 3.41Å; N277-T279 VanDerWaalsContact O-N 3.12Å; N277-Y280 PolarHBondContact O-N 2.77Å; N277-Y281 HydrophobicContact CB-CD2 3.98Å; N277-Y281 HydrophobicContact CB-CE2 3.81Å; N277-Y281 VanDerWaalsContact O-CD2 3.28Å; N277-Y281 WeakPolarHBondContact O-CD2 3.35Å; N277-Y281 PolarHBondContact O-N 2.91Å
278R94.4Very high93.3Very high45 Ų4559 Ų5917%0.1729%0.291CS..THydrogen-bonded Turntrans-58.9-29.4-175.1-69.1-179.1-171.1159.21.9113.9I267 D268 V273 S274 Y275 Y280I267-R278 HydrophobicContact CB-CB 4.38Å; I267-R278 HydrophobicContact CG2-CB 4.25Å; I267-R278 HydrophobicContact CG2-CG 3.95Å; I267-R278 WeakPolarHBondContact O-CB 3.34Å; D268-R278 PolarHBondContact O-NE 3.47Å; V273-R278 HydrophobicContact CB-CG 4.32Å; V273-R278 HydrophobicContact CG1-CG 4.12Å; V273-R278 PolarHBondContact O-NE 3.12Å; V273-R278 VanDerWaalsContact O-NE 3.09Å; V273-R278 PolarHBondContact O-NH2 2.87Å; S274-R278 WeakPolarHBondContact O-CG 3.37Å; S274-R278 PolarHBondContact O-N 3.24Å; Y275-R278 PolarHBondContact O-N 2.72Å; R278-Y280 PolarHBondContact O-N 2.75Å
279T96.1Very high93.5Very high22 Ų2260 Ų6014%0.13529%0.293CS..THydrogen-bonded Turntrans-74.1-13.9177.760.40000113.2E259 L260 N277E259-T279 WeakPolarHBondContact OE1-CB 3.03Å; L260-T279 WeakPolarHBondContact CB-O 3.29Å; L260-T279 PolarHBondContact N-O 2.91Å; N277-T279 PolarHBondContact O-N 3.41Å; N277-T279 VanDerWaalsContact O-N 3.12Å
280Y96.9Very high93.8Very high76 Ų7654 Ų5430%0.29826%0.262SS..THydrogen-bonded Turntrans-107.1-10.7179.6-64.2-93.4000112.8Q255 M256 N258 E259 N277 R278Q255-Y280 CarbonylContact C-O 3.53Å; M256-Y280 VanDerWaalsContact CB-O 3.3Å; M256-Y280 WeakPolarHBondContact CB-O 3.49Å; M256-Y280 WeakPolarHBondContact CG-O 3.1Å; M256-Y280 PolarHBondContact N-O 3.23Å; N258-Y280 VanDerWaalsContact C-CD1 3.49Å; E259-Y280 HydrophobicContact CB-CD1 4.41Å; E259-Y280 HydrophobicContact CB-CE1 3.84Å; N277-Y280 PolarHBondContact O-N 2.77Å; R278-Y280 PolarHBondContact O-N 2.75Å
281Y96Very high94.2Very high54 Ų5450.5 Ų50.521%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-95135.7-178.6-85.1-117.1000111.3I253 K254 Q255 L260 I267 V273 N277I253-Y281 HydrophobicContact CG2-CD1 4.07Å; K254-Y281 WeakPolarHBondContact O-CA 3.3Å; Q255-Y281 HydrophobicContact CB-CD2 4.02Å; Q255-Y281 HydrophobicContact CB-CE1 4.38Å; Q255-Y281 HydrophobicContact CB-CE2 3.52Å; Q255-Y281 HydrophobicContact CG-CD2 4.06Å; Q255-Y281 HydrophobicContact CG-CE2 3.61Å; Q255-Y281 PolarHBondContact OE1-OH 3.35Å; L260-Y281 VanDerWaalsContact CD1-O 3.29Å; L260-Y281 WeakPolarHBondContact CD1-O 3.41Å; I267-Y281 WeakPolarHBondContact CG1-O 3.41Å; V273-Y281 HydrophobicContact CG1-CD1 4.13Å; V273-Y281 HydrophobicContact CG1-CD2 3.82Å; V273-Y281 HydrophobicContact CG1-CE1 4.47Å; V273-Y281 HydrophobicContact CG1-CE2 4.18Å; V273-Y281 HydrophobicContact CG1-CG 3.8Å; V273-Y281 HydrophobicContact CG2-CD1 3.78Å; V273-Y281 HydrophobicContact CG2-CE1 4.23Å; V273-Y281 HydrophobicContact CG2-CG 4.15Å; N277-Y281 HydrophobicContact CB-CD2 3.98Å; N277-Y281 HydrophobicContact CB-CE2 3.81Å; N277-Y281 VanDerWaalsContact O-CD2 3.28Å; N277-Y281 WeakPolarHBondContact O-CD2 3.35Å; N277-Y281 PolarHBondContact O-N 2.91Å
282A96.4Very high94.6Very high1 Ų150 Ų501%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-158.8169.1177.300000111.8I253 K254 M256 L260 Y289I253-A282 WeakPolarHBondContact CA-O 3.15Å; K254-A282 PolarHBondContact N-O 3.22Å; K254-A282 PolarHBondContact O-N 3.3Å; M256-A282 HydrophobicContact CE-CB 3.86Å; M256-A282 WeakPolarHBondContact CE-O 3.49Å; M256-A282 HydrophobicContact CG-CB 4.3Å; L260-A282 HydrophobicContact CD1-CB 3.43Å; L260-A282 VanDerWaalsContact CD1-CB 3.43Å; L260-A282 HydrophobicContact CD2-CB 4.09Å; L260-A282 HydrophobicContact CG-CB 4.37Å; A282-Y289 HydrophobicContact CB-CD1 4.06Å; A282-Y289 HydrophobicContact CB-CG 4.37Å
283G96.2Very high95.1Very high0 Ų043.4 Ų43.40%020%0.202CC..SBendtrans-78.7-167160.800000112.3V252 M256 Y289 C290V252-G283 VanDerWaalsContact O-CA 3.29Å; V252-G283 WeakPolarHBondContact O-CA 3.37Å; M256-G283 WeakPolarHBondContact CE-O 3.42Å; G283-Y289 PolarHBondContact N-O 3.21Å; G283-C290 WeakPolarHBondContact CA-O 3.4Å
284S95.4Very high95.5Very high12 Ų1243.6 Ų43.68%0.08420%0.202CC..  trans-68.2144-177.7-630000112.8M286 F287 Y289 E294S284-M286 VanDerWaalsContact C-N 3.27Å; S284-M286 PolarHBondContact O-N 3.28Å; S284-F287 PolarHBondContact O-N 3.28Å; S284-F287 VanDerWaalsContact O-N 3.1Å; S284-Y289 WeakPolarHBondContact O-CA 3.42Å; S284-Y289 PolarHBondContact O-N 3.33Å; S284-Y289 VanDerWaalsContact O-N 3.14Å; S284-E294 WeakPolarHBondContact CB-OE1 3.39Å; S284-E294 PolarHBondContact OG-OE1 3.37Å; S284-E294 PolarHBondContact OG-OE2 2.9Å
285E95.1Very high95.7Very high139 Ų13941.6 Ų41.665%0.6519%0.186SC*.G310 helixtrans-58.1-37.8-179.6179.4168.416600112.5F287 D288 Y289E285-F287 PolarHBondContact O-N 3.44Å; E285-F287 VanDerWaalsContact O-N 3.09Å; E285-D288 WeakPolarHBondContact O-CA 3.49Å; E285-D288 PolarHBondContact O-N 3.46Å; E285-Y289 HydrophobicContact CB-CD1 4.34Å; E285-Y289 HydrophobicContact CB-CE1 3.77Å; E285-Y289 VanDerWaalsContact CD-OH 3.23Å; E285-Y289 HydrophobicContact CG-CE1 3.99Å; E285-Y289 HydrophobicContact CG-CE2 4.22Å; E285-Y289 WeakPolarHBondContact CG-OH 3.4Å; E285-Y289 PolarHBondContact OE2-OH 2.91Å
286M95.2Very high95.8Very high38 Ų3835.1 Ų35.119%0.18716%0.161CC..G310 helixtrans-58-25.9178.269.5-166.7178.500113.7H158 V169 L171 S284 E294H158-M286 HydrophobicContact CB-CB 3.97Å; H158-M286 HydrophobicContact CB-CG 4.22Å; H158-M286 WeakPolarHBondContact CB-O 3.48Å; V169-M286 HydrophobicContact CB-SD 3.74Å; V169-M286 HydrophobicContact CG1-SD 3.85Å; V169-M286 HydrophobicContact CG2-CB 4.32Å; V169-M286 HydrophobicContact CG2-SD 4.01Å; L171-M286 HydrophobicContact CD2-CE 3.59Å; L171-M286 HydrophobicContact CD2-SD 4.23Å; S284-M286 VanDerWaalsContact C-N 3.27Å; S284-M286 PolarHBondContact O-N 3.28Å; M286-E294 WeakPolarHBondContact CE-OE2 3.37Å
287F97.4Very high95.8Very high2 Ų232.4 Ų32.41%0.00915%0.151CC..G310 helixtrans-97.528175.7-62.2-60.8000112.7H158 L171 W202 S284 E285 Y289 C290 T292 E294H158-F287 HydrophobicContact CB-CD1 3.93Å; H158-F287 HydrophobicContact CB-CE1 3.83Å; H158-F287 AromaticContact ND1-CE1 3.75Å; H158-F287 AromaticContact ND1-CZ 4Å; H158-F287 WeakPolarHBondContact O-CD1 3.08Å; H158-F287 WeakPolarHBondContact O-CE1 3.17Å; L171-F287 HydrophobicContact CD1-CZ 4.41Å; W202-F287 HydrophobicContact CH2-CD1 4.04Å; W202-F287 AromaticContact CH2-CE1 3.64Å; W202-F287 HydrophobicContact CH2-CE1 3.64Å; W202-F287 HydrophobicContact CH2-CZ 4.08Å; W202-F287 HydrophobicContact CZ2-CD1 4.01Å; W202-F287 AromaticContact CZ2-CE1 3.8Å; W202-F287 HydrophobicContact CZ2-CE1 3.8Å; W202-F287 HydrophobicContact CZ3-CE1 4.47Å; S284-F287 PolarHBondContact O-N 3.28Å; S284-F287 VanDerWaalsContact O-N 3.1Å; E285-F287 PolarHBondContact O-N 3.44Å; E285-F287 VanDerWaalsContact O-N 3.09Å; F287-Y289 PolarHBondContact O-N 2.87Å; F287-C290 HydrophobicContact CB-CB 4.33Å; F287-C290 WeakPolarHBondContact O-CB 3.3Å; F287-C290 PolarHBondContact O-N 2.81Å; F287-C290 VanDerWaalsContact O-N 3.13Å; F287-C290 PolarHBondContact O-SG 2.68Å; F287-T292 HydrophobicContact CD2-CG2 3.91Å; F287-T292 HydrophobicContact CE2-CG2 3.95Å; F287-T292 HydrophobicContact CG-CG2 4.29Å; F287-T292 HydrophobicContact CZ-CG2 4.41Å; F287-E294 HydrophobicContact CE2-CG 3.91Å
288D96.9Very high95.5Very high20 Ų2030.7 Ų30.711%0.10714%0.142CC..THydrogen-bonded Turntrans54.439.7-172.9-69.3-41.4000112.3K125 R159 Y264 Y266 E285 C290K125-D288 IonicContact NZ-OD1 2.74Å; K125-D288 PolarHBondContact NZ-OD1 3.29Å; K125-D288 IonicContact NZ-OD2 3.76Å; K125-D288 PolarHBondContact NZ-OD2 3.4Å; R159-D288 HydrophobicContact CG-CB 4.46Å; R159-D288 WeakPolarHBondContact CG-OD2 3.29Å; Y264-D288 HydrophobicContact CE1-CB 4.4Å; Y266-D288 WeakPolarHBondContact CE2-O 3.4Å; Y266-D288 PolarHBondContact OH-O 3.22Å; E285-D288 WeakPolarHBondContact O-CA 3.49Å; E285-D288 PolarHBondContact O-N 3.46Å; D288-C290 PolarHBondContact O-N 3.15Å
289Y97.5Very high94.9Very high41 Ų4135.1 Ų35.116%0.16118%0.18CC..THydrogen-bonded Turntrans65.112.6-177.8-59.3-76.9000115.4L260 Y264 Y266 A282 G283 S284 E285 F287L260-Y289 HydrophobicContact CD2-CD1 3.51Å; L260-Y289 HydrophobicContact CD2-CD2 4.39Å; L260-Y289 HydrophobicContact CD2-CE1 3.71Å; L260-Y289 HydrophobicContact CD2-CG 3.88Å; Y264-Y289 HydrophobicContact CD1-CD2 4.14Å; Y264-Y289 AromaticContact CD2-CD2 3.82Å; Y264-Y289 HydrophobicContact CD2-CD2 3.82Å; Y264-Y289 AromaticContact CD2-CE2 3.91Å; Y264-Y289 HydrophobicContact CD2-CE2 3.91Å; Y264-Y289 HydrophobicContact CE2-CE2 4.42Å; Y264-Y289 AromaticContact CG-CD2 3.6Å; Y264-Y289 HydrophobicContact CG-CD2 3.6Å; Y264-Y289 HydrophobicContact CG-CE2 4.19Å; Y266-Y289 WeakPolarHBondContact CD2-O 3.4Å; A282-Y289 HydrophobicContact CB-CD1 4.06Å; A282-Y289 HydrophobicContact CB-CG 4.37Å; G283-Y289 PolarHBondContact N-O 3.21Å; S284-Y289 WeakPolarHBondContact O-CA 3.42Å; S284-Y289 PolarHBondContact O-N 3.33Å; S284-Y289 VanDerWaalsContact O-N 3.14Å; E285-Y289 HydrophobicContact CB-CD1 4.34Å; E285-Y289 HydrophobicContact CB-CE1 3.77Å; E285-Y289 VanDerWaalsContact CD-OH 3.23Å; E285-Y289 HydrophobicContact CG-CE1 3.99Å; E285-Y289 HydrophobicContact CG-CE2 4.22Å; E285-Y289 WeakPolarHBondContact CG-OH 3.4Å; E285-Y289 PolarHBondContact OE2-OH 2.91Å; F287-Y289 PolarHBondContact O-N 2.87Å
290C98Very high94.1Very high0 Ų038.2 Ų38.20%020%0.196CC..  trans-69.8130.6-178.9-71.50000112.2C215 F232 Y266 G283 F287 D288 T292C215-C290 HydrophobicContact CB-CB 3.58Å; C215-C290 WeakPolarHBondContact CB-SG 3.4Å; C215-C290 WeakPolarHBondContact SG-CA 3.37Å; C215-C290 WeakPolarHBondContact SG-CB 3.28Å; C215-C290 CovalentContact SG-SG 2.03Å; C215-C290 PolarHBondContact SG-SG 3.07Å; F232-C290 HydrophobicContact CD1-CB 3.8Å; F232-C290 HydrophobicContact CE1-CB 3.58Å; Y266-C290 HydrophobicContact CE2-CB 4.45Å; G283-C290 WeakPolarHBondContact CA-O 3.4Å; F287-C290 HydrophobicContact CB-CB 4.33Å; F287-C290 WeakPolarHBondContact O-CB 3.3Å; F287-C290 PolarHBondContact O-N 2.81Å; F287-C290 VanDerWaalsContact O-N 3.13Å; F287-C290 PolarHBondContact O-SG 2.68Å; D288-C290 PolarHBondContact O-N 3.15Å; C290-T292 PolarHBondContact O-N 3.02Å; C290-T292 VanDerWaalsContact O-N 3.1Å; C290-T292 PolarHBondContact O-OG1 3.4Å
291P97.1Very high93.4Very high0 Ų036.9 Ų36.90%020%0.204CC..  trans-53.1113.8166.2-3140.1000111F232 C233 I253 I267 F271F232-P291 CarbonylContact C-O 3.43Å; F232-P291 WeakPolarHBondContact CA-O 3.27Å; F232-P291 WeakPolarHBondContact CB-O 3.42Å; F232-P291 WeakPolarHBondContact CD1-O 3.45Å; C233-P291 PolarHBondContact N-O 2.94Å; C233-P291 WeakPolarHBondContact O-CB 3.29Å; I253-P291 HydrophobicContact CD1-CB 3.96Å; I253-P291 HydrophobicContact CD1-CG 4.4Å; I253-P291 HydrophobicContact CG1-CB 3.81Å; I253-P291 HydrophobicContact CG1-CG 4.29Å; I267-P291 HydrophobicContact CD1-CG 3.76Å; F271-P291 HydrophobicContact CE1-CB 4.3Å; F271-P291 HydrophobicContact CE1-CG 3.97Å; F271-P291 HydrophobicContact CZ-CG 4.23Å
292T97.2Very high92.9Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-135.2140.3-167.8-590000109.7W202 C233 V252 F287 C290 E294W202-T292 HydrophobicContact CH2-CG2 3.69Å; W202-T292 HydrophobicContact CZ3-CG2 4.23Å; C233-T292 VanDerWaalsContact SG-C 3.59Å; C233-T292 PolarHBondContact SG-N 3.21Å; V252-T292 PolarHBondContact N-O 3.37Å; F287-T292 HydrophobicContact CD2-CG2 3.91Å; F287-T292 HydrophobicContact CE2-CG2 3.95Å; F287-T292 HydrophobicContact CG-CG2 4.29Å; F287-T292 HydrophobicContact CZ-CG2 4.41Å; C290-T292 PolarHBondContact O-N 3.02Å; C290-T292 VanDerWaalsContact O-N 3.1Å; C290-T292 PolarHBondContact O-OG1 3.4Å; T292-E294 HydrophobicContact CG2-CG 4.21Å; T292-E294 PolarHBondContact O-N 3.08Å
293Y97.7Very high92.6Very high12 Ų1235.2 Ų35.25%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-72.7121164.6-76-77.7000108.3Q230 P231 F232 C233 H238 K240 L242 Y244 Y250 C251Q230-Y293 HydrophobicContact CG-CD2 3.77Å; Q230-Y293 HydrophobicContact CG-CE2 3.95Å; P231-Y293 PolarHBondContact O-N 3.36Å; F232-Y293 WeakPolarHBondContact O-CD2 3.25Å; F232-Y293 WeakPolarHBondContact O-CE2 3.47Å; C233-Y293 HydrophobicContact CB-CD1 4.43Å; C233-Y293 HydrophobicContact CB-CD2 3.55Å; C233-Y293 HydrophobicContact CB-CE1 4.23Å; C233-Y293 HydrophobicContact CB-CE2 3.31Å; C233-Y293 HydrophobicContact CB-CG 4.11Å; H238-Y293 AromaticContact ND1-CZ 4Å; H238-Y293 PolarHBondContact ND1-OH 3.02Å; H238-Y293 WeakPolarHBondContact O-CE1 3.47Å; K240-Y293 HydrophobicContact CB-CD1 4.48Å; K240-Y293 HydrophobicContact CB-CE1 3.87Å; L242-Y293 VanDerWaalsContact CD2-CB 3.45Å; L242-Y293 HydrophobicContact CD2-CG 4.32Å; Y244-Y293 PolarHBondContact OH-O 3.38Å; Y250-Y293 CarbonylContact O-C 3.59Å; Y250-Y293 WeakPolarHBondContact O-CA 3.17Å; C251-Y293 HydrophobicContact CB-CD1 4.1Å; C251-Y293 HydrophobicContact CB-CE1 3.87Å
294E96.4Very high92.5Very high18 Ų1835.2 Ų35.28%0.08420%0.198CC..EExtended strand (participates in β ladder)trans-115.6153.6-180-62.4-178.1-152.200109.8G249 Y250 V252 S284 M286 F287 T292G249-E294 CarbonylContact C-O 3.57Å; G249-E294 WeakPolarHBondContact CA-O 3.39Å; Y250-E294 HydrophobicContact CD1-CB 4.4Å; Y250-E294 WeakPolarHBondContact CD1-O 3.41Å; Y250-E294 HydrophobicContact CE1-CB 3.84Å; Y250-E294 PolarHBondContact N-O 3.42Å; Y250-E294 PolarHBondContact O-N 3.3Å; V252-E294 HydrophobicContact CB-CG 4.32Å; V252-E294 HydrophobicContact CG2-CB 3.8Å; V252-E294 VanDerWaalsContact CG2-CD 3.43Å; V252-E294 HydrophobicContact CG2-CG 3.7Å; S284-E294 WeakPolarHBondContact CB-OE1 3.39Å; S284-E294 PolarHBondContact OG-OE1 3.37Å; S284-E294 PolarHBondContact OG-OE2 2.9Å; M286-E294 WeakPolarHBondContact CE-OE2 3.37Å; F287-E294 HydrophobicContact CE2-CG 3.91Å; T292-E294 HydrophobicContact CG2-CG 4.21Å; T292-E294 PolarHBondContact O-N 3.08Å
295M95.3Very high92.5Very high17 Ų1734.7 Ų34.78%0.08420%0.195CC..EExtended strand (participates in β ladder)trans-76.6152167.8-63.2171.9-125.300108.9N163 E172 S173 L242 Y244 D245 A247 V305N163-M295 HydrophobicContact CB-CE 4.49Å; E172-M295 HydrophobicContact CB-CB 3.65Å; E172-M295 HydrophobicContact CB-CG 4.5Å; E172-M295 HydrophobicContact CB-SD 4.13Å; E172-M295 HydrophobicContact CG-CB 3.7Å; S173-M295 VanDerWaalsContact CB-SD 3.6Å; L242-M295 HydrophobicContact CD1-CE 4.16Å; L242-M295 HydrophobicContact CD1-CG 3.41Å; L242-M295 VanDerWaalsContact CD1-CG 3.41Å; L242-M295 HydrophobicContact CD1-SD 4.38Å; Y244-M295 HydrophobicContact CD2-CE 4.32Å; Y244-M295 HydrophobicContact CE2-CE 3.51Å; D245-M295 HydrophobicContact CB-CE 3.97Å; A247-M295 HydrophobicContact CB-CG 3.96Å; A247-M295 HydrophobicContact CB-SD 3.97Å; M295-V305 HydrophobicContact SD-CG2 3.75Å
296F93.2Very high92.5Very high35 Ų3528.1 Ų28.115%0.15416%0.164CC..  trans-143.5164.4-177.462.3-66.7000112.6I248 Y250 L298 S304I248-F296 HydrophobicContact CB-CE1 4.44Å; I248-F296 HydrophobicContact CG2-CE1 4.12Å; I248-F296 HydrophobicContact CG2-CZ 4.45Å; Y250-F296 HydrophobicContact CD1-CB 3.56Å; Y250-F296 AromaticContact CD1-CD1 3.44Å; Y250-F296 HydrophobicContact CD1-CD1 3.44Å; Y250-F296 VanDerWaalsContact CD1-CD1 3.44Å; Y250-F296 HydrophobicContact CD1-CE1 4.31Å; Y250-F296 AromaticContact CD1-CG 3.65Å; Y250-F296 HydrophobicContact CD1-CG 3.65Å; Y250-F296 HydrophobicContact CE1-CB 3.49Å; Y250-F296 VanDerWaalsContact CE1-CB 3.49Å; Y250-F296 HydrophobicContact CE1-CD1 4.27Å; Y250-F296 HydrophobicContact CE1-CG 4.13Å; Y250-F296 HydrophobicContact CG-CD1 4.09Å; Y250-F296 HydrophobicContact CG-CG 4.32Å; F296-L298 HydrophobicContact CE2-CG 4.3Å; F296-S304 WeakPolarHBondContact CD1-OG 3.41Å; F296-S304 PolarHBondContact N-OG 3.17Å; F296-S304 VanDerWaalsContact O-CB 3.32Å; F296-S304 WeakPolarHBondContact O-CB 3.46Å; F296-S304 PolarHBondContact O-N 3.09Å; F296-S304 PolarHBondContact O-OG 3.09Å
297L90Very high92.3Very high96 Ų9629.6 Ų29.650%0.50317%0.167SC..BIsolated β-bridgetrans-78.6126.4165-60.6178.5000110.2E172 R302 P303E172-L297 WeakPolarHBondContact OE2-CD2 3.35Å; L297-R302 CarbonylContact C-O 3.28Å; L297-R302 WeakPolarHBondContact CA-O 3.43Å; L297-P303 HydrophobicContact CD2-CG 4.18Å
298L86.5Confident91.9Very high17 Ų1730.2 Ų30.29%0.08917%0.17CC..  trans-68.3169.2170.2-72.9116.3000111F296 D300 G301 R302F296-L298 HydrophobicContact CE2-CG 4.3Å; L298-D300 VanDerWaalsContact CB-OD1 3.23Å; L298-D300 WeakPolarHBondContact CB-OD1 3.5Å; L298-D300 PolarHBondContact O-N 3.48Å; L298-D300 VanDerWaalsContact O-N 3.08Å; L298-G301 WeakPolarHBondContact O-CA 3.38Å; L298-G301 PolarHBondContact O-N 3.18Å; L298-R302 HydrophobicContact CB-CG 4.18Å; L298-R302 HydrophobicContact CD1-CG 3.63Å; L298-R302 WeakPolarHBondContact CD1-O 3.4Å; L298-R302 PolarHBondContact N-O 3.42Å
299S82.4Confident91.2Very high138 Ų13833.8 Ų33.897%0.96520%0.197SC*.THydrogen-bonded Turntrans-59.8-21.3-179550000114.6G301S299-G301 VanDerWaalsContact C-N 3.31Å
300D79.8Confident90.4Very high87 Ų8734.2 Ų34.247%0.46520%0.198SC..THydrogen-bonded Turntrans-89.66.4174.858.92000112.9L298 R302L298-D300 VanDerWaalsContact CB-OD1 3.23Å; L298-D300 WeakPolarHBondContact CB-OD1 3.5Å; L298-D300 PolarHBondContact O-N 3.48Å; L298-D300 VanDerWaalsContact O-N 3.08Å; D300-R302 VanDerWaalsContact C-N 3.33Å; D300-R302 WeakPolarHBondContact OD1-CG 3.39Å; D300-R302 PolarHBondContact OD1-N 2.84Å; D300-R302 IonicContact OD1-NE 2.74Å; D300-R302 PolarHBondContact OD1-NE 2.87Å; D300-R302 WeakPolarHBondContact OD2-CD 3.49Å; D300-R302 IonicContact OD2-CZ 3.68Å; D300-R302 IonicContact OD2-NE 3.33Å; D300-R302 PolarHBondContact OD2-NE 3.42Å; D300-R302 IonicContact OD2-NH2 3.48Å
301G82.6Confident89.2Confident47 Ų4742.4 Ų42.449%0.48524%0.242SC..SBendtrans822.9177.400000114.7L298 S299L298-G301 WeakPolarHBondContact O-CA 3.38Å; L298-G301 PolarHBondContact O-N 3.18Å; S299-G301 VanDerWaalsContact C-N 3.31Å
302R85.3Confident88.4Confident16 Ų1644.4 Ų44.46%0.0625%0.252CS..  trans-87.4148.3178.579.9-166155.6100.4-7.6112.3L297 L298 D300 E323L297-R302 CarbonylContact C-O 3.28Å; L297-R302 WeakPolarHBondContact CA-O 3.43Å; L298-R302 HydrophobicContact CB-CG 4.18Å; L298-R302 HydrophobicContact CD1-CG 3.63Å; L298-R302 WeakPolarHBondContact CD1-O 3.4Å; L298-R302 PolarHBondContact N-O 3.42Å; D300-R302 VanDerWaalsContact C-N 3.33Å; D300-R302 WeakPolarHBondContact OD1-CG 3.39Å; D300-R302 PolarHBondContact OD1-N 2.84Å; D300-R302 IonicContact OD1-NE 2.74Å; D300-R302 PolarHBondContact OD1-NE 2.87Å; D300-R302 WeakPolarHBondContact OD2-CD 3.49Å; D300-R302 IonicContact OD2-CZ 3.68Å; D300-R302 IonicContact OD2-NE 3.33Å; D300-R302 PolarHBondContact OD2-NE 3.42Å; D300-R302 IonicContact OD2-NH2 3.48Å; R302-E323 IonicContact CZ-OE2 2.85Å; R302-E323 IonicContact NH1-OE2 3.72Å; R302-E323 IonicContact NH2-OE2 3.51Å; R302-E323 PolarHBondContact NH2-OE2 2.9Å
303P89.9Confident87.3Confident4 Ų451 Ų513%0.02628%0.281CS..BIsolated β-bridgetrans-57.4146.2166-25.135.1000111.8E172 L297 V305 F308 R310E172-P303 HydrophobicContact CB-CB 4.17Å; E172-P303 WeakPolarHBondContact OE2-CB 3.24Å; E172-P303 WeakPolarHBondContact OE2-CG 3.38Å; L297-P303 HydrophobicContact CD2-CG 4.18Å; P303-V305 HydrophobicContact CB-CB 4.3Å; P303-V305 HydrophobicContact CB-CG2 4.11Å; P303-V305 PolarHBondContact O-N 2.75Å; P303-F308 HydrophobicContact CB-CD2 4.28Å; P303-F308 HydrophobicContact CB-CE2 4.29Å; P303-F308 HydrophobicContact CG-CD2 4.29Å; P303-F308 HydrophobicContact CG-CE2 4.32Å; P303-R310 VanDerWaalsContact CD-NH2 3.34Å
304S94.1Very high86Confident0 Ų055.8 Ų55.80%031%0.314CS..SBendtrans-72.612.5172.940.80000114.3A247 I248 F296A247-S304 CarbonylContact C-O 3.58Å; A247-S304 VanDerWaalsContact CA-O 3.22Å; A247-S304 WeakPolarHBondContact CA-O 3.3Å; A247-S304 WeakPolarHBondContact CB-O 3.21Å; I248-S304 PolarHBondContact N-O 2.77Å; I248-S304 WeakPolarHBondContact O-CB 3.28Å; I248-S304 PolarHBondContact O-OG 3.04Å; I248-S304 VanDerWaalsContact O-OG 3.08Å; F296-S304 WeakPolarHBondContact CD1-OG 3.41Å; F296-S304 PolarHBondContact N-OG 3.17Å; F296-S304 VanDerWaalsContact O-CB 3.32Å; F296-S304 WeakPolarHBondContact O-CB 3.46Å; F296-S304 PolarHBondContact O-N 3.09Å; F296-S304 PolarHBondContact O-OG 3.09Å
305V94.7Very high85.2Confident2 Ų257.2 Ų57.21%0.01232%0.322CS..BIsolated β-bridgetrans-84.8118.8179.5-177.10000110E172 A247 M295 P303 R307 F308E172-V305 HydrophobicContact CB-CG2 4.06Å; A247-V305 HydrophobicContact CB-CB 4.46Å; A247-V305 HydrophobicContact CB-CG2 4.19Å; M295-V305 HydrophobicContact SD-CG2 3.75Å; P303-V305 HydrophobicContact CB-CB 4.3Å; P303-V305 HydrophobicContact CB-CG2 4.11Å; P303-V305 PolarHBondContact O-N 2.75Å; V305-R307 HydrophobicContact CG1-CG 3.54Å; V305-F308 HydrophobicContact CB-CD2 3.83Å; V305-F308 HydrophobicContact CB-CE2 3.88Å; V305-F308 HydrophobicContact CB-CG 4.22Å; V305-F308 HydrophobicContact CB-CZ 4.31Å; V305-F308 HydrophobicContact CG1-CD1 3.92Å; V305-F308 HydrophobicContact CG1-CD2 4.02Å; V305-F308 HydrophobicContact CG1-CE1 3.93Å; V305-F308 HydrophobicContact CG1-CE2 4.02Å; V305-F308 HydrophobicContact CG1-CG 3.97Å; V305-F308 HydrophobicContact CG1-CZ 3.98Å; V305-F308 HydrophobicContact CG2-CD2 4.46Å; V305-F308 HydrophobicContact CG2-CE2 4.04Å; V305-F308 HydrophobicContact CG2-CZ 4.38Å
306C94.6Very high84.4Confident0 Ų056.9 Ų56.90%032%0.32CS..THydrogen-bonded Turntrans-75.6-25.7-175.4-56.60000113.3K246 L325 G326 S329 C331 C354K246-C306 WeakPolarHBondContact O-CB 3.47Å; K246-C306 PolarHBondContact O-N 2.81Å; C306-L325 WeakPolarHBondContact O-CA 3.38Å; C306-G326 PolarHBondContact O-N 2.86Å; C306-S329 WeakPolarHBondContact O-CB 3.42Å; C306-C331 PolarHBondContact SG-N 3.08Å; C306-C354 WeakPolarHBondContact CA-SG 3.39Å; C306-C354 HydrophobicContact CB-CB 3.58Å; C306-C354 WeakPolarHBondContact CB-SG 3.47Å; C306-C354 VanDerWaalsContact SG-CA 3.54Å; C306-C354 WeakPolarHBondContact SG-CB 3.33Å; C306-C354 CovalentContact SG-SG 2.04Å; C306-C354 PolarHBondContact SG-SG 3.13Å
307R91.9Very high83.7Confident70 Ų7062.1 Ų62.126%0.26435%0.348SS..THydrogen-bonded Turntrans-79.8-12.3-173.263.4176.5-178.888.40.5115S173 D245 K246 V305 G326S173-R307 PolarHBondContact OG-NH2 2.7Å; D245-R307 IonicContact OD1-NE 2.71Å; K246-R307 HydrophobicContact CB-CB 4.46Å; K246-R307 HydrophobicContact CD-CB 4.35Å; V305-R307 HydrophobicContact CG1-CG 3.54Å; R307-G326 VanDerWaalsContact CA-O 3.29Å; R307-G326 WeakPolarHBondContact CA-O 3.44Å; R307-G326 CarbonylContact O-C 3.6Å; R307-G326 VanDerWaalsContact O-C 3.28Å
308F88.6Confident83.2Confident14 Ų1462.3 Ų62.36%0.06135%0.35CS..SBendtrans-75.4137.6-179.3-67.5-15.7000111.1E172 P303 V305 R310 L325 G326E172-F308 VanDerWaalsContact O-CE2 3.23Å; E172-F308 WeakPolarHBondContact O-CE2 3.42Å; E172-F308 WeakPolarHBondContact O-CZ 3.46Å; P303-F308 HydrophobicContact CB-CD2 4.28Å; P303-F308 HydrophobicContact CB-CE2 4.29Å; P303-F308 HydrophobicContact CG-CD2 4.29Å; P303-F308 HydrophobicContact CG-CE2 4.32Å; V305-F308 HydrophobicContact CB-CD2 3.83Å; V305-F308 HydrophobicContact CB-CE2 3.88Å; V305-F308 HydrophobicContact CB-CG 4.22Å; V305-F308 HydrophobicContact CB-CZ 4.31Å; V305-F308 HydrophobicContact CG1-CD1 3.92Å; V305-F308 HydrophobicContact CG1-CD2 4.02Å; V305-F308 HydrophobicContact CG1-CE1 3.93Å; V305-F308 HydrophobicContact CG1-CE2 4.02Å; V305-F308 HydrophobicContact CG1-CG 3.97Å; V305-F308 HydrophobicContact CG1-CZ 3.98Å; V305-F308 HydrophobicContact CG2-CD2 4.46Å; V305-F308 HydrophobicContact CG2-CE2 4.04Å; V305-F308 HydrophobicContact CG2-CZ 4.38Å; F308-R310 PolarHBondContact O-N 3.47Å; F308-L325 WeakPolarHBondContact O-CB 3.29Å; F308-G326 PolarHBondContact O-N 3.26Å
309S82.6Confident83.2Confident96 Ų9662.3 Ų62.367%0.67135%0.35SS*.  trans-8090.5-176.6-62.90000109.9
310R80.1Confident83.5Confident49 Ų4956.4 Ų56.419%0.18531%0.31CS..  trans-126136.2175.9-65.7-171.2-177.5-165.44.9111.2P303 F308 L312 L325P303-R310 VanDerWaalsContact CD-NH2 3.34Å; F308-R310 PolarHBondContact O-N 3.47Å; R310-L312 PolarHBondContact O-N 3.34Å; R310-L325 HydrophobicContact CB-CD1 3.89Å
311N72.6Confident84Confident173 Ų17353.7 Ų53.793%0.92529%0.293SS*.  trans-80.5102.2176.7-74.4-34.7000110
312L80.3Confident84.4Confident42 Ų4251.9 Ų51.922%0.2227%0.272CS..  trans-72.6135.3165.8-66.5177.8000109.2R310 E323 L325R310-L312 PolarHBondContact O-N 3.34Å; L312-E323 HydrophobicContact CD1-CB 3.66Å; L312-L325 HydrophobicContact CD1-CD1 3.86Å; L312-L325 HydrophobicContact CD1-CG 3.77Å; L312-L325 HydrophobicContact CD2-CD1 3.86Å; L312-L325 HydrophobicContact CG-CD1 3.69Å; L312-L325 HydrophobicContact CG-CG 4.05Å
313K75.1Confident84.8Confident139 Ų13951.3 Ų51.360%0.60427%0.27SS*.  trans-61.7130.4171.6-66.3-176.1177.9175.70108.2D315 N318 N319K313-D315 WeakPolarHBondContact CB-OD2 3.29Å; K313-D315 PolarHBondContact O-N 3.38Å; K313-D315 VanDerWaalsContact O-N 3.1Å; K313-N318 HydrophobicContact CB-CB 4.34Å; K313-N319 WeakPolarHBondContact O-CB 3.38Å
314P70.7Confident84.9Confident112 Ų11253 Ų5373%0.72728%0.279SS*.  trans-73.7-0.8-174.829.5-35.3000113.2
315D79.2Confident84.8Confident47 Ų4754 Ų5425%0.25128%0.284SS..SBendtrans-73.9144.3-179.972.284.1000111.9K313 I317 N318 N319K313-D315 WeakPolarHBondContact CB-OD2 3.29Å; K313-D315 PolarHBondContact O-N 3.38Å; K313-D315 VanDerWaalsContact O-N 3.1Å; D315-I317 PolarHBondContact O-N 2.83Å; D315-I317 VanDerWaalsContact O-N 3.13Å; D315-I317 WeakPolarHBondContact OD1-CA 3.37Å; D315-I317 VanDerWaalsContact OD1-CB 3.28Å; D315-I317 WeakPolarHBondContact OD1-CB 3.3Å; D315-I317 PolarHBondContact OD1-N 3.47Å; D315-I317 VanDerWaalsContact OD1-N 3.09Å; D315-N318 VanDerWaalsContact CG-ND2 3.27Å; D315-N318 PolarHBondContact O-N 2.86Å; D315-N318 PolarHBondContact OD1-N 2.88Å; D315-N318 PolarHBondContact OD1-ND2 3.26Å; D315-N318 PolarHBondContact OD2-ND2 2.94Å; D315-N319 PolarHBondContact O-N 2.87Å
316L79.2Confident84.7Confident11 Ų1154.1 Ų54.16%0.05829%0.285CS..THydrogen-bonded Turntrans-71.6-3.2-177.3-59.1-179.6000113.8L322 V389 Q390 V392 F394L316-L322 HydrophobicContact CD2-CD2 3.4Å; L316-V389 HydrophobicContact CD2-CG1 4.26Å; L316-Q390 HydrophobicContact CD1-CB 4.33Å; L316-V392 HydrophobicContact CD1-CB 4.33Å; L316-V392 HydrophobicContact CD1-CG2 4.13Å; L316-F394 HydrophobicContact CD1-CE2 4.05Å; L316-F394 HydrophobicContact CD1-CZ 4.05Å; L316-F394 HydrophobicContact CD2-CE2 3.97Å; L316-F394 HydrophobicContact CD2-CZ 3.77Å; L316-F394 HydrophobicContact CG-CZ 4.39Å
317I78Confident84.5Confident145 Ų14558.3 Ų58.374%0.74431%0.313SS*.THydrogen-bonded Turntrans-85-48.5177.1-58.7171.8000108.5D315D315-I317 PolarHBondContact O-N 2.83Å; D315-I317 VanDerWaalsContact O-N 3.13Å; D315-I317 WeakPolarHBondContact OD1-CA 3.37Å; D315-I317 VanDerWaalsContact OD1-CB 3.28Å; D315-I317 WeakPolarHBondContact OD1-CB 3.3Å; D315-I317 PolarHBondContact OD1-N 3.47Å; D315-I317 VanDerWaalsContact OD1-N 3.09Å
318N79.1Confident84.6Confident99 Ų9958.5 Ų58.553%0.52932%0.319SS..THydrogen-bonded Turntrans-85.5-30.3-179.5-61.9-52.3000112.5K313 D315K313-N318 HydrophobicContact CB-CB 4.34Å; D315-N318 VanDerWaalsContact CG-ND2 3.27Å; D315-N318 PolarHBondContact O-N 2.86Å; D315-N318 PolarHBondContact OD1-N 2.88Å; D315-N318 PolarHBondContact OD1-ND2 3.26Å; D315-N318 PolarHBondContact OD2-ND2 2.94Å
319N87.2Confident84.9Confident17 Ų1757.8 Ų57.89%0.09132%0.316CS..  trans-113.363.3179.3-166.35.9000112.4K313 D315 Y321 L322 E323K313-N319 WeakPolarHBondContact O-CB 3.38Å; D315-N319 PolarHBondContact O-N 2.87Å; N319-Y321 PolarHBondContact O-N 3.42Å; N319-Y321 VanDerWaalsContact O-N 3.15Å; N319-L322 PolarHBondContact O-N 3.39Å; N319-L322 VanDerWaalsContact O-N 3.14Å; N319-L322 PolarHBondContact OD1-N 3.01Å; N319-E323 PolarHBondContact ND2-N 3.13Å; N319-E323 PolarHBondContact ND2-O 3.41Å; N319-E323 PolarHBondContact OD1-N 3.16Å
320A87.4Confident85.5Confident15 Ų1553.7 Ų53.712%0.12429%0.287CS..THydrogen-bonded Turntrans-61.8-21.9-175.500000114.9Y348A320-Y348 HydrophobicContact CB-CD1 4.25Å; A320-Y348 HydrophobicContact CB-CE1 3.62Å; A320-Y348 HydrophobicContact CB-CE2 4.39Å
321Y90.7Very high86.3Confident30 Ų3051.7 Ų51.712%0.11828%0.28CS..THydrogen-bonded Turntrans-103.84.1-179.2-59.5-92.5000113N319 E323 F337 Y348 R350 H355N319-Y321 PolarHBondContact O-N 3.42Å; N319-Y321 VanDerWaalsContact O-N 3.15Å; Y321-E323 VanDerWaalsContact C-N 3.26Å; Y321-E323 PolarHBondContact O-N 3.44Å; Y321-F337 HydrophobicContact CD1-CB 4.09Å; Y321-F337 HydrophobicContact CD1-CG 4.28Å; Y321-F337 HydrophobicContact CE1-CB 4.25Å; Y321-Y348 HydrophobicContact CE1-CG 4.2Å; Y321-Y348 WeakPolarHBondContact OH-CB 3.34Å; Y321-R350 HydrophobicContact CE1-CB 3.66Å; Y321-R350 HydrophobicContact CE2-CB 4.41Å; Y321-R350 VanDerWaalsContact CZ-CB 3.49Å; Y321-R350 WeakPolarHBondContact OH-CB 3.47Å; Y321-R350 PolarHBondContact OH-N 3.13Å; Y321-H355 PolarHBondContact O-CE1 3.07Å; Y321-H355 VanDerWaalsContact O-CE1 3.26Å
322L92Very high87.4Confident8 Ų843.5 Ų43.54%0.04224%0.237CC..  trans55.742.5-176.8-51.1176000112.3L316 N319 F337 H355 I369 N370 L387 V389 F394L316-L322 HydrophobicContact CD2-CD2 3.4Å; N319-L322 PolarHBondContact O-N 3.39Å; N319-L322 VanDerWaalsContact O-N 3.14Å; N319-L322 PolarHBondContact OD1-N 3.01Å; L322-F337 HydrophobicContact CD1-CZ 4.4Å; L322-H355 PolarHBondContact O-CE1 2.92Å; L322-H355 VanDerWaalsContact O-CE1 3.24Å; L322-H355 PolarHBondContact O-ND1 2.99Å; L322-I369 HydrophobicContact CB-CG2 3.77Å; L322-I369 HydrophobicContact CD1-CG2 4.01Å; L322-N370 HydrophobicContact CD1-CB 4.46Å; L322-L387 HydrophobicContact CD1-CD1 3.68Å; L322-L387 HydrophobicContact CD1-CD2 4.33Å; L322-L387 HydrophobicContact CD1-CG 4.23Å; L322-V389 HydrophobicContact CD1-CG2 3.92Å; L322-F394 HydrophobicContact CD1-CB 4.38Å; L322-F394 HydrophobicContact CD1-CD1 4.46Å; L322-F394 HydrophobicContact CD1-CD2 3.92Å; L322-F394 HydrophobicContact CD1-CE2 4.27Å; L322-F394 HydrophobicContact CD1-CG 4Å; L322-F394 HydrophobicContact CD2-CE2 4.4Å; L322-F394 HydrophobicContact CD2-CZ 4.39Å
323E93.1Very high88.1Confident5 Ų543 Ų432%0.02323%0.234CC..  trans-72148.8-178.9-59.8-168.192.400112R302 L312 N319 Y321 R350 C354R302-E323 IonicContact CZ-OE2 2.85Å; R302-E323 IonicContact NH1-OE2 3.72Å; R302-E323 IonicContact NH2-OE2 3.51Å; R302-E323 PolarHBondContact NH2-OE2 2.9Å; L312-E323 HydrophobicContact CD1-CB 3.66Å; N319-E323 PolarHBondContact ND2-N 3.13Å; N319-E323 PolarHBondContact ND2-O 3.41Å; N319-E323 PolarHBondContact OD1-N 3.16Å; Y321-E323 VanDerWaalsContact C-N 3.26Å; Y321-E323 PolarHBondContact O-N 3.44Å; E323-R350 IonicContact OE1-CZ 2.82Å; E323-R350 IonicContact OE1-NH2 2.74Å; E323-R350 PolarHBondContact OE1-NH2 3.12Å; E323-R350 VanDerWaalsContact OE1-NH2 3.16Å; E323-R350 IonicContact OE2-CZ 3.81Å; E323-R350 IonicContact OE2-NH1 2.74Å; E323-R350 PolarHBondContact OE2-NH1 2.88Å; E323-R350 IonicContact OE2-NH2 3.37Å; E323-R350 PolarHBondContact OE2-NH2 3.47Å; E323-C354 CarbonylContact C-O 3.6Å; E323-C354 WeakPolarHBondContact CA-O 3.31Å; E323-C354 HydrophobicContact CB-CB 4.46Å; E323-C354 WeakPolarHBondContact CB-O 3.22Å; E323-C354 PolarHBondContact OE1-N 3Å
324D92.8Very high89Confident39 Ų3936.7 Ų36.721%0.20921%0.207CC..  trans-120.7138.6168.5-68.3-82.5000108.6S329 C354 K356D324-S329 VanDerWaalsContact O-CB 3.24Å; D324-S329 WeakPolarHBondContact O-CB 3.5Å; D324-S329 PolarHBondContact O-OG 3.4Å; D324-C354 PolarHBondContact N-O 2.91Å; D324-C354 CarbonylContact O-C 3.57Å; D324-C354 WeakPolarHBondContact O-CB 3.42Å; D324-K356 HydrophobicContact CB-CB 4.41Å; D324-K356 HydrophobicContact CB-CD 4.11Å; D324-K356 HydrophobicContact CB-CG 3.72Å
325L91.9Very high90.1Very high22 Ų2232.1 Ų32.112%0.11518%0.18CC..  trans-118.1149.3174.3-58.7176.4000110.3C306 F308 R310 L312 C354C306-L325 WeakPolarHBondContact O-CA 3.38Å; F308-L325 WeakPolarHBondContact O-CB 3.29Å; R310-L325 HydrophobicContact CB-CD1 3.89Å; L312-L325 HydrophobicContact CD1-CD1 3.86Å; L312-L325 HydrophobicContact CD1-CG 3.77Å; L312-L325 HydrophobicContact CD2-CD1 3.86Å; L312-L325 HydrophobicContact CG-CD1 3.69Å; L312-L325 HydrophobicContact CG-CG 4.05Å; L325-C354 HydrophobicContact CD2-CB 3.78Å
326G91.8Very high90.7Very high3 Ų336.5 Ų36.53%0.03120%0.197CC..SBendtrans138.4175.6178.300000113C306 R307 F308 D328 S329C306-G326 PolarHBondContact O-N 2.86Å; R307-G326 VanDerWaalsContact CA-O 3.29Å; R307-G326 WeakPolarHBondContact CA-O 3.44Å; R307-G326 CarbonylContact O-C 3.6Å; R307-G326 VanDerWaalsContact O-C 3.28Å; F308-G326 PolarHBondContact O-N 3.26Å; G326-D328 PolarHBondContact O-N 2.99Å; G326-S329 WeakPolarHBondContact O-CB 3.36Å; G326-S329 PolarHBondContact O-N 3.45Å
327P90.8Very high91.3Very high89 Ų8936 Ų3658%0.57819%0.194SC*.THydrogen-bonded Turntrans-58.5-25.5-173.3-26.135.1000114.8K246K246-P327 PolarHBondContact NZ-O 2.82Å
328D93Very high92Very high73 Ų7329.9 Ų29.939%0.3916%0.163SC..THydrogen-bonded Turntrans-91.77.5177.464.4-31.4000113.9G326 K356 F357G326-D328 PolarHBondContact O-N 2.99Å; D328-K356 VanDerWaalsContact O-CA 3.31Å; D328-K356 WeakPolarHBondContact O-CA 3.41Å; D328-K356 WeakPolarHBondContact OD2-CD 3.44Å; D328-K356 VanDerWaalsContact OD2-CE 3.25Å; D328-K356 WeakPolarHBondContact OD2-CE 3.4Å; D328-K356 IonicContact OD2-NZ 3.73Å; D328-F357 WeakPolarHBondContact O-CD1 3.22Å; D328-F357 VanDerWaalsContact O-CE1 3.28Å; D328-F357 WeakPolarHBondContact O-CE1 3.35Å; D328-F357 PolarHBondContact O-N 3.47Å
329S95.2Very high92.7Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-103.3148.6174.7-72.10000113K246 C306 D324 G326 H355K246-S329 WeakPolarHBondContact CD-O 3.37Å; C306-S329 WeakPolarHBondContact O-CB 3.42Å; D324-S329 VanDerWaalsContact O-CB 3.24Å; D324-S329 WeakPolarHBondContact O-CB 3.5Å; D324-S329 PolarHBondContact O-OG 3.4Å; G326-S329 WeakPolarHBondContact O-CB 3.36Å; G326-S329 PolarHBondContact O-N 3.45Å; S329-H355 VanDerWaalsContact CA-O 3.31Å; S329-H355 WeakPolarHBondContact CA-O 3.13Å
330T95.7Very high92.9Very high10 Ų1030.8 Ų30.86%0.06116%0.161CC..EExtended strand (participates in β ladder)trans-143.8167.2173.8-167.70000110.2F332 C354 H355 F357 I406T330-F332 HydrophobicContact CG2-CD2 4.05Å; T330-F332 HydrophobicContact CG2-CE2 3.37Å; T330-F332 HydrophobicContact CG2-CZ 3.71Å; T330-C354 WeakPolarHBondContact O-CA 3.43Å; T330-H355 PolarHBondContact N-O 3.25Å; T330-H355 PolarHBondContact O-N 2.9Å; T330-F357 HydrophobicContact CG2-CB 4.29Å; T330-F357 HydrophobicContact CG2-CD1 3.46Å; T330-F357 VanDerWaalsContact CG2-CD1 3.46Å; T330-F357 HydrophobicContact CG2-CE1 4.05Å; T330-F357 HydrophobicContact CG2-CG 4.04Å; T330-I406 HydrophobicContact CG2-CD1 3.77Å; T330-I406 HydrophobicContact CG2-CG1 4.26Å; T330-I406 HydrophobicContact CG2-CG2 4.11Å
331C96.4Very high93Very high7 Ų732.2 Ų32.25%0.04717%0.167CC..EExtended strand (participates in β ladder)trans-78.9137.9175.2-175.50000111.1C241 C306 S353C241-C331 WeakPolarHBondContact CA-SG 3.43Å; C241-C331 HydrophobicContact CB-CB 3.64Å; C241-C331 WeakPolarHBondContact CB-SG 3.11Å; C241-C331 WeakPolarHBondContact SG-CB 3.5Å; C241-C331 PolarHBondContact SG-O 3.18Å; C241-C331 CovalentContact SG-SG 2.03Å; C241-C331 PolarHBondContact SG-SG 2.87Å; C306-C331 PolarHBondContact SG-N 3.08Å; C331-S353 WeakPolarHBondContact CA-O 3.45Å
332F96Very high92.8Very high1 Ų141.2 Ų41.20%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-122.4130.1168.3-69-92.4000110.6C241 T330 S352 S353 H355 F357 L365 V367 I398 I406C241-F332 VanDerWaalsContact SG-CA 3.53Å; C241-F332 PolarHBondContact SG-N 2.77Å; T330-F332 HydrophobicContact CG2-CD2 4.05Å; T330-F332 HydrophobicContact CG2-CE2 3.37Å; T330-F332 HydrophobicContact CG2-CZ 3.71Å; F332-S352 VanDerWaalsContact O-CA 3.26Å; F332-S352 WeakPolarHBondContact O-CA 3.47Å; F332-S353 PolarHBondContact N-O 2.7Å; F332-S353 PolarHBondContact O-N 2.94Å; F332-H355 HydrophobicContact CD2-CB 3.83Å; F332-H355 HydrophobicContact CE2-CB 3.99Å; F332-F357 HydrophobicContact CE2-CB 4.36Å; F332-F357 HydrophobicContact CZ-CB 4.01Å; F332-L365 HydrophobicContact CE1-CD2 4.07Å; F332-V367 HydrophobicContact CD1-CB 4.49Å; F332-V367 HydrophobicContact CD1-CG2 4.33Å; F332-V367 HydrophobicContact CD2-CG2 3.9Å; F332-V367 HydrophobicContact CE1-CB 3.97Å; F332-V367 HydrophobicContact CE1-CG2 4.12Å; F332-V367 HydrophobicContact CE2-CB 4.25Å; F332-V367 HydrophobicContact CE2-CG2 3.65Å; F332-V367 HydrophobicContact CG-CG2 4.23Å; F332-V367 HydrophobicContact CZ-CB 3.84Å; F332-V367 HydrophobicContact CZ-CG2 3.77Å; F332-I398 HydrophobicContact CB-CG2 4.36Å; F332-I398 HydrophobicContact CD1-CG2 4.17Å; F332-I406 HydrophobicContact CE1-CD1 4.46Å; F332-I406 HydrophobicContact CZ-CD1 4.44Å
333D95Very high92.7Very high32 Ų3247.3 Ų47.317%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-77.1144.2170.1-73.9-35.8000109.3K240 C241 T351 S352 Y399K240-D333 WeakPolarHBondContact CA-OD1 3.38Å; K240-D333 WeakPolarHBondContact CE-OD2 3.49Å; K240-D333 VanDerWaalsContact CG-OD2 3.26Å; K240-D333 WeakPolarHBondContact CG-OD2 3.44Å; C241-D333 PolarHBondContact N-OD1 3.29Å; C241-D333 PolarHBondContact SG-N 2.99Å; C241-D333 PolarHBondContact SG-OD1 3.33Å; C241-D333 VanDerWaalsContact SG-OD1 3.33Å; D333-T351 CarbonylContact C-O 3.58Å; D333-T351 WeakPolarHBondContact CA-O 3.37Å; D333-S352 PolarHBondContact OD1-OG 2.62Å; D333-Y399 HydrophobicContact CB-CD2 4.32Å; D333-Y399 PolarHBondContact O-N 3.17Å
334H94.8Very high92.5Very high5 Ų549.9 Ų49.92%0.02326%0.263CS..EExtended strand (participates in β ladder)trans-151.6161-178.859.974.1000112.5R350 T351 S352 S353 T396 D397 I398H334-R350 PolarHBondContact CE1-O 2.77Å; H334-T351 PolarHBondContact N-O 3.07Å; H334-T351 CarbonylContact O-C 3.51Å; H334-T351 WeakPolarHBondContact O-CA 3.33Å; H334-T351 VanDerWaalsContact O-O 3.11Å; H334-S352 PolarHBondContact NE2-N 3.36Å; H334-S353 PolarHBondContact CD2-OG 2.88Å; H334-S353 PolarHBondContact NE2-OG 2.74Å; H334-S353 VanDerWaalsContact NE2-OG 3.11Å; H334-T396 HydrophobicContact CB-CG2 4.29Å; H334-D397 CarbonylContact C-O 3.56Å; H334-D397 WeakPolarHBondContact CA-O 3.17Å; H334-D397 WeakPolarHBondContact CB-O 3.17Å; H334-I398 HydrophobicContact CB-CG1 4.25Å
335G92.8Very high92.6Very high16 Ų1656.4 Ų56.417%0.16529%0.285CS..SBendtrans-63.7-171.1166.200000111.9F337 T396 D397G335-F337 PolarHBondContact O-N 3.44Å; G335-T396 PolarHBondContact O-OG1 3.14Å; G335-D397 PolarHBondContact N-O 2.95Å
336K91.6Very high92.6Very high140 Ų14059.7 Ų59.761%0.60930%0.3SS*.  trans-67127.8178.2-65.5-176.6-179.5179.20110.4V338 T347K336-V338 PolarHBondContact O-N 3.2Å; K336-T347 HydrophobicContact CB-CG2 3.57Å; K336-T347 HydrophobicContact CD-CG2 3.67Å; K336-T347 HydrophobicContact CG-CG2 4.18Å
337F91.4Very high92.6Very high1 Ų163 Ų630%0.00432%0.319CS..  trans-71.7125173.5-143.6-103.3000109.1Y321 L322 G335 T347 Y348 F394 T396Y321-F337 HydrophobicContact CD1-CB 4.09Å; Y321-F337 HydrophobicContact CD1-CG 4.28Å; Y321-F337 HydrophobicContact CE1-CB 4.25Å; L322-F337 HydrophobicContact CD1-CZ 4.4Å; G335-F337 PolarHBondContact O-N 3.44Å; F337-T347 WeakPolarHBondContact O-CA 3.13Å; F337-Y348 HydrophobicContact CB-CD2 4.18Å; F337-Y348 HydrophobicContact CD1-CD2 4.38Å; F337-Y348 WeakPolarHBondContact O-CD2 3.26Å; F337-Y348 PolarHBondContact O-N 2.82Å; F337-F394 AromaticContact CD1-CD1 3.77Å; F337-F394 HydrophobicContact CD1-CD1 3.77Å; F337-F394 HydrophobicContact CD1-CE1 4.41Å; F337-F394 HydrophobicContact CE1-CB 3.91Å; F337-F394 AromaticContact CE1-CD1 3.24Å; F337-F394 HydrophobicContact CE1-CD1 3.24Å; F337-F394 AromaticContact CE1-CE1 3.97Å; F337-F394 HydrophobicContact CE1-CE1 3.97Å; F337-F394 AromaticContact CE1-CG 3.9Å; F337-F394 HydrophobicContact CE1-CG 3.9Å; F337-F394 HydrophobicContact CZ-CB 4.21Å; F337-F394 HydrophobicContact CZ-CD1 4.26Å; F337-T396 HydrophobicContact CD2-CG2 3.66Å; F337-T396 HydrophobicContact CE2-CG2 3.64Å
338V94.1Very high92.6Very high15 Ų1560 Ų609%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-113.2123.2179.7177.60000108.8K336 R345 Q346 T347 F394 S395K336-V338 PolarHBondContact O-N 3.2Å; V338-R345 HydrophobicContact CG1-CG 3.91Å; V338-Q346 WeakPolarHBondContact CA-O 3.47Å; V338-T347 HydrophobicContact CG2-CG2 4.27Å; V338-F394 CarbonylContact O-C 3.56Å; V338-F394 VanDerWaalsContact O-CA 3.31Å; V338-F394 WeakPolarHBondContact O-CA 3.4Å; V338-S395 PolarHBondContact N-O 2.87Å; V338-S395 PolarHBondContact O-N 2.84Å
339R92.7Very high92.3Very high53 Ų5361.6 Ų61.620%0.231%0.313CS..EExtended strand (participates in β ladder)trans-105.6123.5172.3177.7-173.1172-167.71.2109.1R345 Q346 Y348 V392 E393 F394R339-R345 CarbonylContact O-C 3.55Å; R339-R345 WeakPolarHBondContact O-CA 3.29Å; R339-Q346 HydrophobicContact CB-CB 4.5Å; R339-Q346 PolarHBondContact N-O 3.33Å; R339-Q346 PolarHBondContact O-N 2.99Å; R339-Y348 HydrophobicContact CB-CE2 3.73Å; R339-Y348 WeakPolarHBondContact CD-OH 3.28Å; R339-V392 HydrophobicContact CG-CG1 3.35Å; R339-E393 CarbonylContact C-O 3.55Å; R339-E393 WeakPolarHBondContact CA-O 3.35Å; R339-F394 HydrophobicContact CB-CD1 3.95Å; R339-F394 HydrophobicContact CB-CE1 3.73Å; R339-F394 HydrophobicContact CB-CZ 4.47Å; R339-F394 HydrophobicContact CG-CD1 4.19Å; R339-F394 HydrophobicContact CG-CE1 3.64Å; R339-F394 HydrophobicContact CG-CZ 3.89Å
340Q92.4Very high92Very high82 Ų8262.7 Ų62.738%0.38332%0.318SS..EExtended strand (participates in β ladder)trans-129.6125.6-178.1-175.8168.4-13.800110.3E393Q340-E393 HydrophobicContact CB-CB 4.46Å; Q340-E393 PolarHBondContact N-O 3.13Å; Q340-E393 PolarHBondContact O-N 3.08Å
341N88.7Confident91.8Very high46 Ų4664.2 Ų64.225%0.24633%0.327CS..  trans-114.7-171.7165.768.336.5000108.6T343 S344 V392N341-T343 VanDerWaalsContact C-N 3.25Å; N341-T343 PolarHBondContact O-N 3.4Å; N341-T343 PolarHBondContact OD1-N 3.3Å; N341-T343 PolarHBondContact OD1-OG1 3.3Å; N341-S344 PolarHBondContact N-O 3.23Å; N341-S344 PolarHBondContact ND2-OG 2.93Å; N341-S344 PolarHBondContact OD1-N 2.83Å; N341-S344 PolarHBondContact OD1-O 2.77Å; N341-S344 PolarHBondContact OD1-OG 2.96Å; N341-V392 HydrophobicContact CB-CG2 4.43Å
342K86.6Confident91.8Very high218 Ų21863.9 Ų63.995%0.94832%0.324SS*.SBendtrans-64.6-24.8-178.8-66.9-173.5179.7-179.60114.5
343T89.1Confident91.7Very high136 Ų13663.8 Ų63.883%0.83432%0.324SS*.SBendtrans-119.2-16.2-170.454.70000114.3N341N341-T343 VanDerWaalsContact C-N 3.25Å; N341-T343 PolarHBondContact O-N 3.4Å; N341-T343 PolarHBondContact OD1-N 3.3Å; N341-T343 PolarHBondContact OD1-OG1 3.3Å
344S90.4Very high91.8Very high60 Ų6062.3 Ų62.342%0.4232%0.316SS..  trans-144.9148-175.873.60000112.4N341N341-S344 PolarHBondContact N-O 3.23Å; N341-S344 PolarHBondContact ND2-OG 2.93Å; N341-S344 PolarHBondContact OD1-N 2.83Å; N341-S344 PolarHBondContact OD1-O 2.77Å; N341-S344 PolarHBondContact OD1-OG 2.96Å
345R93.3Very high91.8Very high176 Ų17662.1 Ų62.166%0.66432%0.315SS*.EExtended strand (participates in β ladder)trans-126117.3172.1-174.9-179.5-177.4-158.30.9107.7V338 R339V338-R345 HydrophobicContact CG1-CG 3.91Å; R339-R345 CarbonylContact O-C 3.55Å; R339-R345 WeakPolarHBondContact O-CA 3.29Å
346Q92.2Very high92Very high91 Ų9164.4 Ų64.443%0.42532%0.321SS..EExtended strand (participates in β ladder)trans-112.5138.8177.9-173.1171.410.300109V338 R339 Y348V338-Q346 WeakPolarHBondContact CA-O 3.47Å; R339-Q346 HydrophobicContact CB-CB 4.5Å; R339-Q346 PolarHBondContact N-O 3.33Å; R339-Q346 PolarHBondContact O-N 2.99Å; Q346-Y348 HydrophobicContact CG-CE1 4.3Å; Q346-Y348 HydrophobicContact CG-CE2 4.42Å; Q346-Y348 PolarHBondContact OE1-OH 3.08Å
347T92.6Very high92.1Very high71 Ų7159.2 Ų59.244%0.43630%0.298SS..EExtended strand (participates in β ladder)trans-118.8131175.5-560000108.6K336 F337 V338K336-T347 HydrophobicContact CB-CG2 3.57Å; K336-T347 HydrophobicContact CD-CG2 3.67Å; K336-T347 HydrophobicContact CG-CG2 4.18Å; F337-T347 WeakPolarHBondContact O-CA 3.13Å; V338-T347 HydrophobicContact CG2-CG2 4.27Å
348Y90Very high92.3Very high28 Ų2865.2 Ų65.211%0.1132%0.324CS..  trans-97143.9179.6-62.4-79.9000110.7A320 Y321 F337 R339 Q346A320-Y348 HydrophobicContact CB-CD1 4.25Å; A320-Y348 HydrophobicContact CB-CE1 3.62Å; A320-Y348 HydrophobicContact CB-CE2 4.39Å; Y321-Y348 HydrophobicContact CE1-CG 4.2Å; Y321-Y348 WeakPolarHBondContact OH-CB 3.34Å; F337-Y348 HydrophobicContact CB-CD2 4.18Å; F337-Y348 HydrophobicContact CD1-CD2 4.38Å; F337-Y348 WeakPolarHBondContact O-CD2 3.26Å; F337-Y348 PolarHBondContact O-N 2.82Å; R339-Y348 HydrophobicContact CB-CE2 3.73Å; R339-Y348 WeakPolarHBondContact CD-OH 3.28Å; Q346-Y348 HydrophobicContact CG-CE1 4.3Å; Q346-Y348 HydrophobicContact CG-CE2 4.42Å; Q346-Y348 PolarHBondContact OE1-OH 3.08Å
349S87.3Confident92.2Very high106 Ų10665.6 Ų65.674%0.74133%0.328SS*.  trans-84.1-26.1-172.3510000113.8
350R89.3Confident91.9Very high23 Ų2364.7 Ų64.79%0.08733%0.329CS..  trans-67.5142.3-178.3-163.3169.770.4-168.13.3110.9Y321 E323 H334 S352Y321-R350 HydrophobicContact CE1-CB 3.66Å; Y321-R350 HydrophobicContact CE2-CB 4.41Å; Y321-R350 VanDerWaalsContact CZ-CB 3.49Å; Y321-R350 WeakPolarHBondContact OH-CB 3.47Å; Y321-R350 PolarHBondContact OH-N 3.13Å; E323-R350 IonicContact OE1-CZ 2.82Å; E323-R350 IonicContact OE1-NH2 2.74Å; E323-R350 PolarHBondContact OE1-NH2 3.12Å; E323-R350 VanDerWaalsContact OE1-NH2 3.16Å; E323-R350 IonicContact OE2-CZ 3.81Å; E323-R350 IonicContact OE2-NH1 2.74Å; E323-R350 PolarHBondContact OE2-NH1 2.88Å; E323-R350 IonicContact OE2-NH2 3.37Å; E323-R350 PolarHBondContact OE2-NH2 3.47Å; H334-R350 PolarHBondContact CE1-O 2.77Å; R350-S352 WeakPolarHBondContact CD-O 3.46Å; R350-S352 WeakPolarHBondContact CG-O 3.25Å; R350-S352 PolarHBondContact NE-O 2.84Å
351T92.2Very high91.6Very high41 Ų4167.8 Ų67.825%0.25234%0.341SS..  trans-111.610.2-175.344.30000113.1Q239 D333 H334Q239-T351 PolarHBondContact O-OG1 3.46Å; D333-T351 CarbonylContact C-O 3.58Å; D333-T351 WeakPolarHBondContact CA-O 3.37Å; H334-T351 PolarHBondContact N-O 3.07Å; H334-T351 CarbonylContact O-C 3.51Å; H334-T351 WeakPolarHBondContact O-CA 3.33Å; H334-T351 VanDerWaalsContact O-O 3.11Å
352S95.2Very high91.2Very high0 Ų073.1 Ų73.10%037%0.37CS..EExtended strand (participates in β ladder)trans-148.6150.6177-44.30000110.8K240 C241 F332 D333 H334 R350K240-S352 VanDerWaalsContact CA-OG 3.26Å; K240-S352 WeakPolarHBondContact CA-OG 3.33Å; C241-S352 PolarHBondContact N-OG 2.67Å; F332-S352 VanDerWaalsContact O-CA 3.26Å; F332-S352 WeakPolarHBondContact O-CA 3.47Å; D333-S352 PolarHBondContact OD1-OG 2.62Å; H334-S352 PolarHBondContact NE2-N 3.36Å; R350-S352 WeakPolarHBondContact CD-O 3.46Å; R350-S352 WeakPolarHBondContact CG-O 3.25Å; R350-S352 PolarHBondContact NE-O 2.84Å
353S94.8Very high90.8Very high0 Ų064.3 Ų64.30%034%0.338CS..EExtended strand (participates in β ladder)trans-154.6155.1178.8520000112C331 F332 H334 H355C331-S353 WeakPolarHBondContact CA-O 3.45Å; F332-S353 PolarHBondContact N-O 2.7Å; F332-S353 PolarHBondContact O-N 2.94Å; H334-S353 PolarHBondContact CD2-OG 2.88Å; H334-S353 PolarHBondContact NE2-OG 2.74Å; H334-S353 VanDerWaalsContact NE2-OG 3.11Å; S353-H355 PolarHBondContact OG-CD2 2.93Å; S353-H355 VanDerWaalsContact OG-CD2 3.24Å; S353-H355 PolarHBondContact OG-NE2 3.19Å
354C95.7Very high90.8Very high0 Ų059.5 Ų59.50%031%0.307CS..EExtended strand (participates in β ladder)trans-85.6125176.1-63.70000111.3C306 E323 D324 L325 T330C306-C354 WeakPolarHBondContact CA-SG 3.39Å; C306-C354 HydrophobicContact CB-CB 3.58Å; C306-C354 WeakPolarHBondContact CB-SG 3.47Å; C306-C354 VanDerWaalsContact SG-CA 3.54Å; C306-C354 WeakPolarHBondContact SG-CB 3.33Å; C306-C354 CovalentContact SG-SG 2.04Å; C306-C354 PolarHBondContact SG-SG 3.13Å; E323-C354 CarbonylContact C-O 3.6Å; E323-C354 WeakPolarHBondContact CA-O 3.31Å; E323-C354 HydrophobicContact CB-CB 4.46Å; E323-C354 WeakPolarHBondContact CB-O 3.22Å; E323-C354 PolarHBondContact OE1-N 3Å; D324-C354 PolarHBondContact N-O 2.91Å; D324-C354 CarbonylContact O-C 3.57Å; D324-C354 WeakPolarHBondContact O-CB 3.42Å; L325-C354 HydrophobicContact CD2-CB 3.78Å; T330-C354 WeakPolarHBondContact O-CA 3.43Å
355H95.7Very high90.9Very high1 Ų156.6 Ų56.61%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-138.7152.9176.1-63.8-65.6000111.6Y321 L322 S329 T330 F332 S353 V367 I369Y321-H355 PolarHBondContact O-CE1 3.07Å; Y321-H355 VanDerWaalsContact O-CE1 3.26Å; L322-H355 PolarHBondContact O-CE1 2.92Å; L322-H355 VanDerWaalsContact O-CE1 3.24Å; L322-H355 PolarHBondContact O-ND1 2.99Å; S329-H355 VanDerWaalsContact CA-O 3.31Å; S329-H355 WeakPolarHBondContact CA-O 3.13Å; T330-H355 PolarHBondContact N-O 3.25Å; T330-H355 PolarHBondContact O-N 2.9Å; F332-H355 HydrophobicContact CD2-CB 3.83Å; F332-H355 HydrophobicContact CE2-CB 3.99Å; S353-H355 PolarHBondContact OG-CD2 2.93Å; S353-H355 VanDerWaalsContact OG-CD2 3.24Å; S353-H355 PolarHBondContact OG-NE2 3.19Å; H355-V367 HydrophobicContact CB-CG2 3.71Å; H355-I369 HydrophobicContact CB-CG1 4.45Å
356K95.9Very high91Very high65 Ų6550.1 Ų50.128%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-62.9149.7170.9-81.1175180-179.80110.8D324 D328 I368D324-K356 HydrophobicContact CB-CB 4.41Å; D324-K356 HydrophobicContact CB-CD 4.11Å; D324-K356 HydrophobicContact CB-CG 3.72Å; D328-K356 VanDerWaalsContact O-CA 3.31Å; D328-K356 WeakPolarHBondContact O-CA 3.41Å; D328-K356 WeakPolarHBondContact OD2-CD 3.44Å; D328-K356 VanDerWaalsContact OD2-CE 3.25Å; D328-K356 WeakPolarHBondContact OD2-CE 3.4Å; D328-K356 IonicContact OD2-NZ 3.73Å; K356-I368 HydrophobicContact CB-CB 3.83Å; K356-I368 HydrophobicContact CB-CD1 4.36Å; K356-I368 HydrophobicContact CB-CG2 4.36Å; K356-I368 PolarHBondContact O-N 2.91Å
357F95.3Very high91.1Very high31 Ų3145.9 Ų45.914%0.13624%0.244CC..EExtended strand (participates in β ladder)trans-135.5157.2176.968.4-86.6000111.9D328 T330 F332 L365 Q366 I406 C407D328-F357 WeakPolarHBondContact O-CD1 3.22Å; D328-F357 VanDerWaalsContact O-CE1 3.28Å; D328-F357 WeakPolarHBondContact O-CE1 3.35Å; D328-F357 PolarHBondContact O-N 3.47Å; T330-F357 HydrophobicContact CG2-CB 4.29Å; T330-F357 HydrophobicContact CG2-CD1 3.46Å; T330-F357 VanDerWaalsContact CG2-CD1 3.46Å; T330-F357 HydrophobicContact CG2-CE1 4.05Å; T330-F357 HydrophobicContact CG2-CG 4.04Å; F332-F357 HydrophobicContact CE2-CB 4.36Å; F332-F357 HydrophobicContact CZ-CB 4.01Å; F357-L365 HydrophobicContact CB-CD1 4Å; F357-L365 HydrophobicContact CD2-CD1 4.31Å; F357-L365 HydrophobicContact CG-CD1 4.49Å; F357-Q366 CarbonylContact C-O 3.49Å; F357-Q366 VanDerWaalsContact CA-O 3.23Å; F357-Q366 WeakPolarHBondContact CA-O 3.36Å; F357-I406 HydrophobicContact CD1-CG2 4.05Å; F357-I406 HydrophobicContact CD2-CG2 3.51Å; F357-I406 HydrophobicContact CE1-CG2 3.88Å; F357-I406 HydrophobicContact CE2-CG2 3.33Å; F357-I406 HydrophobicContact CG-CG2 3.89Å; F357-I406 HydrophobicContact CZ-CG2 3.53Å; F357-C407 VanDerWaalsContact CE2-SG 3.51Å
358K94.7Very high91.3Very high126 Ų12644.2 Ų44.255%0.54823%0.233SC..EExtended strand (participates in β ladder)trans-136.2135.6170.1-173.4175-178176.90109.2Q366 I368K358-Q366 PolarHBondContact N-O 3.07Å; K358-Q366 PolarHBondContact O-N 3.08Å; K358-I368 HydrophobicContact CB-CD1 4.25Å
359C92.5Very high91.4Very high24 Ų2442.9 Ų42.916%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-113.9143.1173.6-69.80000110.4C403 C407 N410C359-C403 VanDerWaalsContact SG-SG 3.63Å; C359-C407 HydrophobicContact CB-CB 3.54Å; C359-C407 WeakPolarHBondContact CB-SG 2.96Å; C359-C407 WeakPolarHBondContact SG-CB 3.43Å; C359-C407 CovalentContact SG-SG 2Å; C359-C407 PolarHBondContact SG-SG 2.92Å; C359-N410 HydrophobicContact CB-CB 4.22Å; C359-N410 WeakPolarHBondContact CB-O 3.28Å
360S87.2Confident91.6Very high34 Ų3441.6 Ų41.624%0.23821%0.212CC..EExtended strand (participates in β ladder)trans-151.9152.2169.370.50000110.5N362 A363 D364S360-N362 PolarHBondContact O-N 2.93Å; S360-N362 VanDerWaalsContact O-N 3.08Å; S360-A363 PolarHBondContact O-N 2.88Å; S360-A363 WeakPolarHBondContact OG-CB 3.46Å; S360-A363 PolarHBondContact OG-N 3.18Å; S360-D364 PolarHBondContact N-O 2.79Å; S360-D364 VanDerWaalsContact N-O 3.16Å; S360-D364 WeakPolarHBondContact O-CA 3.48Å; S360-D364 PolarHBondContact O-N 3Å
361K84.3Confident91.7Very high146 Ų14643.8 Ų43.864%0.63524%0.242SC*.THydrogen-bonded Turntrans-59.1-22.3175.6-64.5-176178177.30113.6
362N81.6Confident91.7Very high159 Ų15946.6 Ų46.685%0.8525%0.25SS*.THydrogen-bonded Turntrans-97.3-31.4-175.4-63-11.4000113.5S360S360-N362 PolarHBondContact O-N 2.93Å; S360-N362 VanDerWaalsContact O-N 3.08Å
363A78.3Confident91.7Very high33 Ų3349.2 Ų49.227%0.27327%0.269SS..THydrogen-bonded Turntrans-117.94.5-172.200000113.7S360 Q366S360-A363 PolarHBondContact O-N 2.88Å; S360-A363 WeakPolarHBondContact OG-CB 3.46Å; S360-A363 PolarHBondContact OG-N 3.18Å; A363-Q366 VanDerWaalsContact CB-NE2 3.27Å
364D88.4Confident91.6Very high34 Ų3451.2 Ų51.218%0.18228%0.278CS..EExtended strand (participates in β ladder)trans59.4-152-175.9-157.50.9000110.9S360 R377 C403 P412S360-D364 PolarHBondContact N-O 2.79Å; S360-D364 VanDerWaalsContact N-O 3.16Å; S360-D364 WeakPolarHBondContact O-CA 3.48Å; S360-D364 PolarHBondContact O-N 3Å; D364-R377 HydrophobicContact CB-CG 4.39Å; D364-C403 WeakPolarHBondContact OD1-CB 3.26Å; D364-P412 HydrophobicContact CB-CG 3.95Å
365L93.5Very high91.4Very high0 Ų055.1 Ų55.10%030%0.303CS..EExtended strand (participates in β ladder)trans-72134.6169.6177.469.4000111.6F332 F357 C376 P401 C403 I406F332-L365 HydrophobicContact CE1-CD2 4.07Å; F357-L365 HydrophobicContact CB-CD1 4Å; F357-L365 HydrophobicContact CD2-CD1 4.31Å; F357-L365 HydrophobicContact CG-CD1 4.49Å; L365-C376 WeakPolarHBondContact CB-O 3.24Å; L365-C376 HydrophobicContact CD2-CB 4.28Å; L365-C376 HydrophobicContact CG-CB 4.17Å; L365-C376 CarbonylContact O-C 3.45Å; L365-C376 WeakPolarHBondContact O-CA 3.42Å; L365-C376 PolarHBondContact O-N 3.46Å; L365-P401 HydrophobicContact CD2-CG 3.95Å; L365-C403 HydrophobicContact CB-CB 4.12Å; L365-I406 HydrophobicContact CD1-CD1 3.9Å; L365-I406 HydrophobicContact CD2-CD1 3.66Å; L365-I406 HydrophobicContact CG-CD1 4.45Å
366Q94.4Very high91.2Very high39 Ų3955.1 Ų55.118%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-123.3134.6169.5-72.6168.879.300109.4F357 K358 A363 S373 F374F357-Q366 CarbonylContact C-O 3.49Å; F357-Q366 VanDerWaalsContact CA-O 3.23Å; F357-Q366 WeakPolarHBondContact CA-O 3.36Å; K358-Q366 PolarHBondContact N-O 3.07Å; K358-Q366 PolarHBondContact O-N 3.08Å; A363-Q366 VanDerWaalsContact CB-NE2 3.27Å; Q366-S373 PolarHBondContact OE1-OG 3.5Å; Q366-F374 CarbonylContact C-O 3.6Å; Q366-F374 VanDerWaalsContact CA-O 3.28Å; Q366-F374 WeakPolarHBondContact CA-O 3.42Å
367V95.1Very high90.8Very high2 Ų257.9 Ų57.91%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-92.9139.8169.863.70000108.9F332 H355 I369 S373 F374 C376 L385 I398F332-V367 HydrophobicContact CD1-CB 4.49Å; F332-V367 HydrophobicContact CD1-CG2 4.33Å; F332-V367 HydrophobicContact CD2-CG2 3.9Å; F332-V367 HydrophobicContact CE1-CB 3.97Å; F332-V367 HydrophobicContact CE1-CG2 4.12Å; F332-V367 HydrophobicContact CE2-CB 4.25Å; F332-V367 HydrophobicContact CE2-CG2 3.65Å; F332-V367 HydrophobicContact CG-CG2 4.23Å; F332-V367 HydrophobicContact CZ-CB 3.84Å; F332-V367 HydrophobicContact CZ-CG2 3.77Å; H355-V367 HydrophobicContact CB-CG2 3.71Å; V367-I369 HydrophobicContact CG2-CD1 4.23Å; V367-I369 HydrophobicContact CG2-CG1 3.93Å; V367-S373 CarbonylContact O-C 3.52Å; V367-S373 WeakPolarHBondContact O-CA 3.34Å; V367-F374 HydrophobicContact CG1-CB 3.88Å; V367-F374 PolarHBondContact N-O 2.95Å; V367-F374 PolarHBondContact O-N 2.89Å; V367-C376 HydrophobicContact CB-CB 4.41Å; V367-C376 HydrophobicContact CG1-CB 4.25Å; V367-L385 HydrophobicContact CG1-CD1 4.37Å; V367-I398 HydrophobicContact CG1-CD1 4.16Å
368I95.2Very high90.3Very high37 Ų3758.5 Ų58.519%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-115.9117.9179.1-57.9169000107.2K356 K358 K372K356-I368 HydrophobicContact CB-CB 3.83Å; K356-I368 HydrophobicContact CB-CD1 4.36Å; K356-I368 HydrophobicContact CB-CG2 4.36Å; K356-I368 PolarHBondContact O-N 2.91Å; K358-I368 HydrophobicContact CB-CD1 4.25Å; I368-K372 CarbonylContact C-O 3.59Å; I368-K372 VanDerWaalsContact CA-O 3.3Å; I368-K372 WeakPolarHBondContact CA-O 3.29Å
369I93.4Very high89.6Confident0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-125.4122179.8-52.8-171.9000108.1L322 H355 V367 G371 K372 F374 L385 L387 I398L322-I369 HydrophobicContact CB-CG2 3.77Å; L322-I369 HydrophobicContact CD1-CG2 4.01Å; H355-I369 HydrophobicContact CB-CG1 4.45Å; V367-I369 HydrophobicContact CG2-CD1 4.23Å; V367-I369 HydrophobicContact CG2-CG1 3.93Å; I369-G371 PolarHBondContact O-N 3.3Å; I369-K372 PolarHBondContact N-O 3.18Å; I369-K372 PolarHBondContact O-N 2.77Å; I369-F374 HydrophobicContact CB-CE2 4.29Å; I369-L385 HydrophobicContact CD1-CD1 3.72Å; I369-L385 HydrophobicContact CD1-CD2 4Å; I369-L387 HydrophobicContact CB-CD1 4.4Å; I369-L387 HydrophobicContact CG2-CD1 3.87Å; I369-I398 HydrophobicContact CD1-CD1 3.79Å
370N90.7Very high89Confident78 Ų7866 Ų6642%0.41736%0.358SS..THydrogen-bonded Turntrans49.945.5-177.6-168.661.5000112.1L322 K372 L387 V389L322-N370 HydrophobicContact CD1-CB 4.46Å; N370-K372 PolarHBondContact O-N 2.93Å; N370-K372 VanDerWaalsContact O-N 3.15Å; N370-L387 HydrophobicContact CB-CD1 4.14Å; N370-V389 HydrophobicContact CB-CG2 4.11Å; N370-V389 VanDerWaalsContact ND2-CG2 3.33Å; N370-V389 WeakPolarHBondContact ND2-CG2 3.38Å
371G90.8Very high89Confident69 Ų6971.4 Ų71.471%0.71138%0.379SS*.THydrogen-bonded Turntrans73.4-5.3-179.900000116.2I369I369-G371 PolarHBondContact O-N 3.3Å
372K93.8Very high89.3Confident100 Ų10066.3 Ų66.344%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-94.7132.9176.7-68.1178.7-179.4171.90110.1I368 I369 N370 F374 E388I368-K372 CarbonylContact C-O 3.59Å; I368-K372 VanDerWaalsContact CA-O 3.3Å; I368-K372 WeakPolarHBondContact CA-O 3.29Å; I369-K372 PolarHBondContact N-O 3.18Å; I369-K372 PolarHBondContact O-N 2.77Å; N370-K372 PolarHBondContact O-N 2.93Å; N370-K372 VanDerWaalsContact O-N 3.15Å; K372-F374 HydrophobicContact CB-CE2 3.63Å; K372-F374 HydrophobicContact CB-CZ 3.88Å; K372-F374 WeakPolarHBondContact O-CD2 3.39Å; K372-F374 WeakPolarHBondContact O-CE2 3.43Å; K372-E388 PolarHBondContact NZ-O 2.86Å
373S93.8Very high89.7Confident56 Ų5660.5 Ų60.539%0.39233%0.332SS..EExtended strand (participates in β ladder)trans-96.4135-179.8-161.40000111.5Q366 V367Q366-S373 PolarHBondContact OE1-OG 3.5Å; V367-S373 CarbonylContact O-C 3.52Å; V367-S373 WeakPolarHBondContact O-CA 3.34Å
374F93.3Very high90.4Very high41 Ų4163.7 Ų63.718%0.1835%0.35CS..EExtended strand (participates in β ladder)trans-126.7132.6-179.6-58.2-92.8000109.6Q366 V367 I369 K372 C376 L385 L387Q366-F374 CarbonylContact C-O 3.6Å; Q366-F374 VanDerWaalsContact CA-O 3.28Å; Q366-F374 WeakPolarHBondContact CA-O 3.42Å; V367-F374 HydrophobicContact CG1-CB 3.88Å; V367-F374 PolarHBondContact N-O 2.95Å; V367-F374 PolarHBondContact O-N 2.89Å; I369-F374 HydrophobicContact CB-CE2 4.29Å; K372-F374 HydrophobicContact CB-CE2 3.63Å; K372-F374 HydrophobicContact CB-CZ 3.88Å; K372-F374 WeakPolarHBondContact O-CD2 3.39Å; K372-F374 WeakPolarHBondContact O-CE2 3.43Å; F374-C376 PolarHBondContact O-N 3.05Å; F374-L385 HydrophobicContact CB-CD1 3.93Å; F374-L385 HydrophobicContact CD1-CD1 3.84Å; F374-L385 HydrophobicContact CD1-CG 4.18Å; F374-L385 HydrophobicContact CD2-CD1 3.55Å; F374-L385 HydrophobicContact CD2-CG 4.48Å; F374-L385 HydrophobicContact CE1-CD1 4.21Å; F374-L385 HydrophobicContact CE1-CG 4.21Å; F374-L385 HydrophobicContact CE2-CD1 3.95Å; F374-L385 HydrophobicContact CG-CD1 3.49Å; F374-L385 VanDerWaalsContact CG-CD1 3.49Å; F374-L385 HydrophobicContact CG-CG 4.32Å; F374-L385 HydrophobicContact CZ-CD1 4.26Å; F374-L385 HydrophobicContact CZ-CG 4.38Å; F374-L387 HydrophobicContact CZ-CB 4.17Å
375P91.9Very high90.6Very high83 Ų8362.4 Ų62.454%0.53934%0.343SS..EExtended strand (participates in β ladder)trans-58.8131.2172.8-22.132.9000110.9
376C92Very high90.7Very high1 Ų169 Ų691%0.00737%0.371CS..  trans-128.780.6-179.1-165.20000110.1L365 V367 F374 C400L365-C376 WeakPolarHBondContact CB-O 3.24Å; L365-C376 HydrophobicContact CD2-CB 4.28Å; L365-C376 HydrophobicContact CG-CB 4.17Å; L365-C376 CarbonylContact O-C 3.45Å; L365-C376 WeakPolarHBondContact O-CA 3.42Å; L365-C376 PolarHBondContact O-N 3.46Å; V367-C376 HydrophobicContact CB-CB 4.41Å; V367-C376 HydrophobicContact CG1-CB 4.25Å; F374-C376 PolarHBondContact O-N 3.05Å; C376-C400 WeakPolarHBondContact CA-SG 3.34Å; C376-C400 HydrophobicContact CB-CB 4.06Å; C376-C400 WeakPolarHBondContact CB-SG 3.49Å; C376-C400 WeakPolarHBondContact SG-CA 3.47Å; C376-C400 WeakPolarHBondContact SG-CB 3.4Å; C376-C400 CovalentContact SG-SG 2.04Å; C376-C400 PolarHBondContact SG-SG 2.85Å
377R87.8Confident90.7Very high123 Ų12367.6 Ų67.646%0.46437%0.365SS..  trans-93.5132-178.2-64.6-175.3-175.4173.43.4110.1D364 R379 C400D364-R377 HydrophobicContact CB-CG 4.39Å; R377-R379 PolarHBondContact O-N 2.83Å; R377-C400 WeakPolarHBondContact O-CB 3.11Å
378S84Confident90.5Very high44 Ų4473.1 Ų73.131%0.30839%0.391SS..  trans-63.9120.9178-162.10000110.6C400 Q402S378-C400 WeakPolarHBondContact CA-O 3.31Å; S378-C400 WeakPolarHBondContact CB-O 3.47Å; S378-C400 PolarHBondContact OG-O 2.83Å; S378-Q402 PolarHBondContact OG-NE2 3.25Å
379R80.3Confident90.3Very high160 Ų16071.8 Ų71.860%0.60438%0.384SS*.  trans-143.9162.9-176.8-69178.4-177.6-176.50.3108.8R377 E381R377-R379 PolarHBondContact O-N 2.83Å; R379-E381 VanDerWaalsContact C-N 3.25Å; R379-E381 WeakPolarHBondContact CB-O 3.25Å
380T80.4Confident89.9Confident147 Ų14778.4 Ų78.490%0.90242%0.415SS*.SBendtrans-65.4-32.5171.545.50000112.1
381E85.2Confident89.8Confident147 Ų14781.3 Ų81.369%0.68743%0.431SS*.SBendtrans-98.5142.3178.1-65.6-179.3-179.500111R379R379-E381 VanDerWaalsContact C-N 3.25Å; R379-E381 WeakPolarHBondContact CB-O 3.25Å
382P90.9Very high89.8Confident40 Ų4078.7 Ų78.726%0.2640%0.401SS..PPolyproline II helixtrans-69.1155.4175.731.7-35.5000111.2D397 I398 Y399P382-D397 HydrophobicContact CB-CB 3.82Å; P382-D397 HydrophobicContact CG-CB 3.87Å; P382-I398 CarbonylContact C-O 3.57Å; P382-I398 WeakPolarHBondContact CA-O 3.46Å; P382-I398 WeakPolarHBondContact CB-O 3.31Å; P382-Y399 HydrophobicContact CB-CD1 3.85Å; P382-Y399 HydrophobicContact CB-CE1 3.72Å; P382-Y399 HydrophobicContact CB-CE2 4.39Å; P382-Y399 HydrophobicContact CB-CG 4.25Å; P382-Y399 HydrophobicContact CG-CE1 3.93Å
383T90.1Very high89.8Confident37 Ų3777.4 Ų77.423%0.22740%0.397CS..EExtended strand (participates in β ladder)trans-91117.7178.2-59.90000109.5L385 I398T383-L385 PolarHBondContact O-N 3.27Å; T383-I398 PolarHBondContact N-O 3.11Å; T383-I398 PolarHBondContact O-N 2.76Å
384P93Very high89.8Confident99 Ų9974.8 Ų74.864%0.64338%0.378SS*.EExtended strand (participates in β ladder)trans-66.8129.1176.527-33.1000109.6D397P384-D397 WeakPolarHBondContact CA-OD1 3.3Å
385L93.9Very high89.9Confident8 Ų873.8 Ų73.84%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-123.1128.3-179.5-179.1141.6000109.1V367 I369 F374 T383 L387 S395 T396 I398V367-L385 HydrophobicContact CG1-CD1 4.37Å; I369-L385 HydrophobicContact CD1-CD1 3.72Å; I369-L385 HydrophobicContact CD1-CD2 4Å; F374-L385 HydrophobicContact CB-CD1 3.93Å; F374-L385 HydrophobicContact CD1-CD1 3.84Å; F374-L385 HydrophobicContact CD1-CG 4.18Å; F374-L385 HydrophobicContact CD2-CD1 3.55Å; F374-L385 HydrophobicContact CD2-CG 4.48Å; F374-L385 HydrophobicContact CE1-CD1 4.21Å; F374-L385 HydrophobicContact CE1-CG 4.21Å; F374-L385 HydrophobicContact CE2-CD1 3.95Å; F374-L385 HydrophobicContact CG-CD1 3.49Å; F374-L385 VanDerWaalsContact CG-CD1 3.49Å; F374-L385 HydrophobicContact CG-CG 4.32Å; F374-L385 HydrophobicContact CZ-CD1 4.26Å; F374-L385 HydrophobicContact CZ-CG 4.38Å; T383-L385 PolarHBondContact O-N 3.27Å; L385-L387 HydrophobicContact CD2-CD2 3.46Å; L385-L387 VanDerWaalsContact CD2-CD2 3.46Å; L385-S395 VanDerWaalsContact O-CA 3.25Å; L385-S395 WeakPolarHBondContact O-CA 3.37Å; L385-T396 HydrophobicContact CB-CG2 4.46Å; L385-T396 HydrophobicContact CD2-CG2 4.29Å; L385-T396 PolarHBondContact N-O 2.91Å; L385-T396 PolarHBondContact O-N 2.85Å; L385-I398 HydrophobicContact CB-CD1 4.38Å; L385-I398 HydrophobicContact CB-CG1 4.4Å; L385-I398 HydrophobicContact CD1-CD1 3.68Å; L385-I398 HydrophobicContact CG-CD1 4.47Å
386K94.5Very high90.1Very high138 Ų13870.2 Ų70.260%0.635%0.353SS*.EExtended strand (participates in β ladder)trans-131.1135.8173.2-68.9-166.2173.1-162.50109.9E393 F394K386-E393 IonicContact NZ-OE1 3Å; K386-F394 WeakPolarHBondContact CA-O 3.16Å
387L93.6Very high90.2Very high9 Ų973.7 Ų73.75%0.04737%0.372CS..EExtended strand (participates in β ladder)trans-146.2149172.669.9164.9000111.4L322 I369 N370 F374 L385 V389 F394L322-L387 HydrophobicContact CD1-CD1 3.68Å; L322-L387 HydrophobicContact CD1-CD2 4.33Å; L322-L387 HydrophobicContact CD1-CG 4.23Å; I369-L387 HydrophobicContact CB-CD1 4.4Å; I369-L387 HydrophobicContact CG2-CD1 3.87Å; N370-L387 HydrophobicContact CB-CD1 4.14Å; F374-L387 HydrophobicContact CZ-CB 4.17Å; L385-L387 HydrophobicContact CD2-CD2 3.46Å; L385-L387 VanDerWaalsContact CD2-CD2 3.46Å; L387-V389 HydrophobicContact CD1-CG2 3.66Å; L387-V389 HydrophobicContact CG-CG2 4.08Å; L387-F394 HydrophobicContact CD2-CB 3.62Å; L387-F394 HydrophobicContact CG-CB 4.08Å; L387-F394 PolarHBondContact N-O 2.75Å; L387-F394 PolarHBondContact O-N 2.91Å
388E92.6Very high90.5Very high118 Ų11868 Ų6855%0.55135%0.35SS*.EExtended strand (participates in β ladder)trans-104129.9169.2-166.8176.3177.200109.7K372 V392K372-E388 PolarHBondContact NZ-O 2.86Å; E388-V392 WeakPolarHBondContact CA-O 3.4Å
389V89.9Confident91Very high9 Ų971.6 Ų71.66%0.05536%0.358CS..EExtended strand (participates in β ladder)trans-134.6122177.3-176.20000108L316 L322 N370 L387 N391 V392 F394L316-V389 HydrophobicContact CD2-CG1 4.26Å; L322-V389 HydrophobicContact CD1-CG2 3.92Å; N370-V389 HydrophobicContact CB-CG2 4.11Å; N370-V389 VanDerWaalsContact ND2-CG2 3.33Å; N370-V389 WeakPolarHBondContact ND2-CG2 3.38Å; L387-V389 HydrophobicContact CD1-CG2 3.66Å; L387-V389 HydrophobicContact CG-CG2 4.08Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 2.9Å; V389-V392 PolarHBondContact N-O 2.7Å; V389-V392 WeakPolarHBondContact O-CB 3.4Å; V389-V392 PolarHBondContact O-N 2.82Å; V389-F394 HydrophobicContact CB-CD2 4.22Å; V389-F394 HydrophobicContact CB-CE2 4.09Å; V389-F394 HydrophobicContact CG2-CD2 4.27Å
390Q86.1Confident91.6Very high140 Ų14064.6 Ų64.665%0.65433%0.333SS*.THydrogen-bonded Turntrans51.444.2178.6-59.9176.6-6.900113.7L316 V392L316-Q390 HydrophobicContact CD1-CB 4.33Å; Q390-V392 PolarHBondContact O-N 2.93Å
391N87.7Confident92.2Very high139 Ų13959.3 Ų59.374%0.74330%0.301SS*.THydrogen-bonded Turntrans61.424.1-176.3-52.7-40.5000114.7V389V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 2.9Å
392V90.4Very high92.4Very high13 Ų1357.6 Ų57.68%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-119.7126174.7-1770000108.3L316 R339 N341 E388 V389 Q390 F394L316-V392 HydrophobicContact CD1-CB 4.33Å; L316-V392 HydrophobicContact CD1-CG2 4.13Å; R339-V392 HydrophobicContact CG-CG1 3.35Å; N341-V392 HydrophobicContact CB-CG2 4.43Å; E388-V392 WeakPolarHBondContact CA-O 3.4Å; V389-V392 PolarHBondContact N-O 2.7Å; V389-V392 WeakPolarHBondContact O-CB 3.4Å; V389-V392 PolarHBondContact O-N 2.82Å; Q390-V392 PolarHBondContact O-N 2.93Å; V392-F394 HydrophobicContact CB-CE2 3.99Å; V392-F394 HydrophobicContact CG1-CD2 4.27Å; V392-F394 HydrophobicContact CG1-CE2 3.75Å; V392-F394 HydrophobicContact CG1-CZ 4.02Å
393E94Very high92.5Very high74 Ų7455.8 Ų55.835%0.34628%0.282SS..EExtended strand (participates in β ladder)trans-80.7130.4173.4-175.9175.7116.900109.3R339 Q340 K386R339-E393 CarbonylContact C-O 3.55Å; R339-E393 WeakPolarHBondContact CA-O 3.35Å; Q340-E393 HydrophobicContact CB-CB 4.46Å; Q340-E393 PolarHBondContact N-O 3.13Å; Q340-E393 PolarHBondContact O-N 3.08Å; K386-E393 IonicContact NZ-OE1 3Å
394F94.7Very high92.4Very high0 Ų058.1 Ų58.10%029%0.29CS..EExtended strand (participates in β ladder)trans-114.2135.3169.5-70.2-85.6000109L316 L322 F337 V338 R339 K386 L387 V389 V392L316-F394 HydrophobicContact CD1-CE2 4.05Å; L316-F394 HydrophobicContact CD1-CZ 4.05Å; L316-F394 HydrophobicContact CD2-CE2 3.97Å; L316-F394 HydrophobicContact CD2-CZ 3.77Å; L316-F394 HydrophobicContact CG-CZ 4.39Å; L322-F394 HydrophobicContact CD1-CB 4.38Å; L322-F394 HydrophobicContact CD1-CD1 4.46Å; L322-F394 HydrophobicContact CD1-CD2 3.92Å; L322-F394 HydrophobicContact CD1-CE2 4.27Å; L322-F394 HydrophobicContact CD1-CG 4Å; L322-F394 HydrophobicContact CD2-CE2 4.4Å; L322-F394 HydrophobicContact CD2-CZ 4.39Å; F337-F394 AromaticContact CD1-CD1 3.77Å; F337-F394 HydrophobicContact CD1-CD1 3.77Å; F337-F394 HydrophobicContact CD1-CE1 4.41Å; F337-F394 HydrophobicContact CE1-CB 3.91Å; F337-F394 AromaticContact CE1-CD1 3.24Å; F337-F394 HydrophobicContact CE1-CD1 3.24Å; F337-F394 AromaticContact CE1-CE1 3.97Å; F337-F394 HydrophobicContact CE1-CE1 3.97Å; F337-F394 AromaticContact CE1-CG 3.9Å; F337-F394 HydrophobicContact CE1-CG 3.9Å; F337-F394 HydrophobicContact CZ-CB 4.21Å; F337-F394 HydrophobicContact CZ-CD1 4.26Å; V338-F394 CarbonylContact O-C 3.56Å; V338-F394 VanDerWaalsContact O-CA 3.31Å; V338-F394 WeakPolarHBondContact O-CA 3.4Å; R339-F394 HydrophobicContact CB-CD1 3.95Å; R339-F394 HydrophobicContact CB-CE1 3.73Å; R339-F394 HydrophobicContact CB-CZ 4.47Å; R339-F394 HydrophobicContact CG-CD1 4.19Å; R339-F394 HydrophobicContact CG-CE1 3.64Å; R339-F394 HydrophobicContact CG-CZ 3.89Å; K386-F394 WeakPolarHBondContact CA-O 3.16Å; L387-F394 HydrophobicContact CD2-CB 3.62Å; L387-F394 HydrophobicContact CG-CB 4.08Å; L387-F394 PolarHBondContact N-O 2.75Å; L387-F394 PolarHBondContact O-N 2.91Å; V389-F394 HydrophobicContact CB-CD2 4.22Å; V389-F394 HydrophobicContact CB-CE2 4.09Å; V389-F394 HydrophobicContact CG2-CD2 4.27Å; V392-F394 HydrophobicContact CB-CE2 3.99Å; V392-F394 HydrophobicContact CG1-CD2 4.27Å; V392-F394 HydrophobicContact CG1-CE2 3.75Å; V392-F394 HydrophobicContact CG1-CZ 4.02Å
395S95Very high92.2Very high21 Ų2156.4 Ų56.415%0.14728%0.28CS..EExtended strand (participates in β ladder)trans-140.6142.3176.659.30000112V338 L385V338-S395 PolarHBondContact N-O 2.87Å; V338-S395 PolarHBondContact O-N 2.84Å; L385-S395 VanDerWaalsContact O-CA 3.25Å; L385-S395 WeakPolarHBondContact O-CA 3.37Å
396T95.1Very high92Very high8 Ų856.7 Ų56.75%0.04928%0.282CS..EExtended strand (participates in β ladder)trans-160.1168.8173.1-166.50000109.9H334 G335 F337 L385 I398H334-T396 HydrophobicContact CB-CG2 4.29Å; G335-T396 PolarHBondContact O-OG1 3.14Å; F337-T396 HydrophobicContact CD2-CG2 3.66Å; F337-T396 HydrophobicContact CE2-CG2 3.64Å; L385-T396 HydrophobicContact CB-CG2 4.46Å; L385-T396 HydrophobicContact CD2-CG2 4.29Å; L385-T396 PolarHBondContact N-O 2.91Å; L385-T396 PolarHBondContact O-N 2.85Å; T396-I398 HydrophobicContact CG2-CD1 4.4Å; T396-I398 HydrophobicContact CG2-CG1 3.8Å
397D94.3Very high91.7Very high74 Ų7451 Ų5140%0.39626%0.259SS..EExtended strand (participates in β ladder)trans-110.4110.4172.7-62.1-51000108.4H334 G335 P382 P384H334-D397 CarbonylContact C-O 3.56Å; H334-D397 WeakPolarHBondContact CA-O 3.17Å; H334-D397 WeakPolarHBondContact CB-O 3.17Å; G335-D397 PolarHBondContact N-O 2.95Å; P382-D397 HydrophobicContact CB-CB 3.82Å; P382-D397 HydrophobicContact CG-CB 3.87Å; P384-D397 WeakPolarHBondContact CA-OD1 3.3Å
398I95Very high91.1Very high4 Ų454.6 Ų54.62%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-88.1131.2-176.1-64.3-170.4000110.8F332 H334 V367 I369 P382 T383 L385 T396F332-I398 HydrophobicContact CB-CG2 4.36Å; F332-I398 HydrophobicContact CD1-CG2 4.17Å; H334-I398 HydrophobicContact CB-CG1 4.25Å; V367-I398 HydrophobicContact CG1-CD1 4.16Å; I369-I398 HydrophobicContact CD1-CD1 3.79Å; P382-I398 CarbonylContact C-O 3.57Å; P382-I398 WeakPolarHBondContact CA-O 3.46Å; P382-I398 WeakPolarHBondContact CB-O 3.31Å; T383-I398 PolarHBondContact N-O 3.11Å; T383-I398 PolarHBondContact O-N 2.76Å; L385-I398 HydrophobicContact CB-CD1 4.38Å; L385-I398 HydrophobicContact CB-CG1 4.4Å; L385-I398 HydrophobicContact CD1-CD1 3.68Å; L385-I398 HydrophobicContact CG-CD1 4.47Å; T396-I398 HydrophobicContact CG2-CD1 4.4Å; T396-I398 HydrophobicContact CG2-CG1 3.8Å
399Y94.6Very high90.4Very high119 Ų11957.2 Ų57.247%0.46729%0.291SS..EExtended strand (participates in β ladder)trans-88.9108.1170.4-63.1-84.9000109.5D333 P382 P401D333-Y399 HydrophobicContact CB-CD2 4.32Å; D333-Y399 PolarHBondContact O-N 3.17Å; P382-Y399 HydrophobicContact CB-CD1 3.85Å; P382-Y399 HydrophobicContact CB-CE1 3.72Å; P382-Y399 HydrophobicContact CB-CE2 4.39Å; P382-Y399 HydrophobicContact CB-CG 4.25Å; P382-Y399 HydrophobicContact CG-CE1 3.93Å; Y399-P401 WeakPolarHBondContact O-CD 2.98Å
400C93.3Very high90Very high13 Ų1361.7 Ų61.79%0.08831%0.314CS..PPolyproline II helixtrans-83.1118.7-174.9-690000111.9C376 R377 S378C376-C400 WeakPolarHBondContact CA-SG 3.34Å; C376-C400 HydrophobicContact CB-CB 4.06Å; C376-C400 WeakPolarHBondContact CB-SG 3.49Å; C376-C400 WeakPolarHBondContact SG-CA 3.47Å; C376-C400 WeakPolarHBondContact SG-CB 3.4Å; C376-C400 CovalentContact SG-SG 2.04Å; C376-C400 PolarHBondContact SG-SG 2.85Å; R377-C400 WeakPolarHBondContact O-CB 3.11Å; S378-C400 WeakPolarHBondContact CA-O 3.31Å; S378-C400 WeakPolarHBondContact CB-O 3.47Å; S378-C400 PolarHBondContact OG-O 2.83Å
401P91.9Very high89.8Confident35 Ų3555.4 Ų55.423%0.22729%0.286CS..PPolyproline II helixtrans-69.7165.9174.330.4-34.5000111L365 Y399 C403 I406L365-P401 HydrophobicContact CD2-CG 3.95Å; Y399-P401 WeakPolarHBondContact O-CD 2.98Å; P401-C403 PolarHBondContact O-N 3.36Å; P401-I406 HydrophobicContact CB-CD1 4.37Å; P401-I406 HydrophobicContact CG-CD1 3.35Å; P401-I406 HydrophobicContact CG-CG1 4.18Å
402Q90.2Very high89.5Confident111 Ų11150.9 Ų50.952%0.51926%0.264SS..PPolyproline II helixtrans-61.9134.5171.9-67.1-69.8-33.700109.4S378 Q404 S405S378-Q402 PolarHBondContact OG-NE2 3.25Å; Q402-Q404 PolarHBondContact O-N 3.06Å; Q402-S405 PolarHBondContact O-N 3.35Å; Q402-S405 PolarHBondContact O-OG 3.21Å
403C91.8Very high88.6Confident3 Ų365.3 Ų65.32%0.0232%0.317CS..Hα-helixtrans-56.1-39.7-178.1174.30000111.9C359 D364 L365 P401 S405 I406 C407 C411C359-C403 VanDerWaalsContact SG-SG 3.63Å; D364-C403 WeakPolarHBondContact OD1-CB 3.26Å; L365-C403 HydrophobicContact CB-CB 4.12Å; P401-C403 PolarHBondContact O-N 3.36Å; C403-S405 PolarHBondContact O-N 2.03Å; C403-I406 PolarHBondContact O-N 2.86Å; C403-I406 VanDerWaalsContact O-N 3.12Å; C403-C407 WeakPolarHBondContact O-CB 3.12Å; C403-C407 PolarHBondContact O-N 3.4Å; C403-C411 HydrophobicContact CB-CB 3.75Å; C403-C411 WeakPolarHBondContact CB-SG 3.46Å; C403-C411 PolarHBondContact O-SG 3.22Å; C403-C411 VanDerWaalsContact O-SG 3.34Å; C403-C411 VanDerWaalsContact SG-CA 3.55Å; C403-C411 WeakPolarHBondContact SG-CB 3.26Å; C403-C411 CovalentContact SG-SG 2.04Å; C403-C411 PolarHBondContact SG-SG 3.03Å
404Q89.1Confident88.4Confident85 Ų8564.9 Ų64.940%0.39732%0.316SS..Hα-helixtrans-62.5-26.3-178.9-65.980.1-0.200112.5Q402 I406 N408 C411 P412Q402-Q404 PolarHBondContact O-N 3.06Å; Q404-I406 VanDerWaalsContact C-N 3.3Å; Q404-I406 PolarHBondContact O-N 3.17Å; Q404-N408 WeakPolarHBondContact O-CA 3.45Å; Q404-N408 PolarHBondContact O-N 3.46Å; Q404-N408 VanDerWaalsContact O-N 3.16Å; Q404-N408 PolarHBondContact O-OD1 2.59Å; Q404-C411 HydrophobicContact CG-CB 4.21Å; Q404-C411 PolarHBondContact N-SG 3.03Å; Q404-C411 VanDerWaalsContact N-SG 3.37Å; Q404-P412 PolarHBondContact NE2-O 3.44Å
405S88Confident88Confident63 Ų6368.3 Ų68.344%0.44133%0.332SS..Hα-helixtrans-71.8-26.4178.873.10000112.9K201 Q402 C403K201-S405 PolarHBondContact NZ-O 2.96Å; Q402-S405 PolarHBondContact O-N 3.35Å; Q402-S405 PolarHBondContact O-OG 3.21Å; C403-S405 PolarHBondContact O-N 2.03Å
406I89.6Confident87.7Confident14 Ų1470.9 Ų70.97%0.07234%0.343CS..Hα-helixtrans-97.7-42.4178-63169000111.3T330 F332 F357 L365 P401 C403 Q404T330-I406 HydrophobicContact CG2-CD1 3.77Å; T330-I406 HydrophobicContact CG2-CG1 4.26Å; T330-I406 HydrophobicContact CG2-CG2 4.11Å; F332-I406 HydrophobicContact CE1-CD1 4.46Å; F332-I406 HydrophobicContact CZ-CD1 4.44Å; F357-I406 HydrophobicContact CD1-CG2 4.05Å; F357-I406 HydrophobicContact CD2-CG2 3.51Å; F357-I406 HydrophobicContact CE1-CG2 3.88Å; F357-I406 HydrophobicContact CE2-CG2 3.33Å; F357-I406 HydrophobicContact CG-CG2 3.89Å; F357-I406 HydrophobicContact CZ-CG2 3.53Å; L365-I406 HydrophobicContact CD1-CD1 3.9Å; L365-I406 HydrophobicContact CD2-CD1 3.66Å; L365-I406 HydrophobicContact CG-CD1 4.45Å; P401-I406 HydrophobicContact CB-CD1 4.37Å; P401-I406 HydrophobicContact CG-CD1 3.35Å; P401-I406 HydrophobicContact CG-CG1 4.18Å; C403-I406 PolarHBondContact O-N 2.86Å; C403-I406 VanDerWaalsContact O-N 3.12Å; Q404-I406 VanDerWaalsContact C-N 3.3Å; Q404-I406 PolarHBondContact O-N 3.17Å
407C88.7Confident87.2Confident19 Ų1974.6 Ų74.613%0.12836%0.36CS..Hα-helixtrans-112.60.6-162.8-71.50000115.1F357 C359 C403 E409 N410F357-C407 VanDerWaalsContact CE2-SG 3.51Å; C359-C407 HydrophobicContact CB-CB 3.54Å; C359-C407 WeakPolarHBondContact CB-SG 2.96Å; C359-C407 WeakPolarHBondContact SG-CB 3.43Å; C359-C407 CovalentContact SG-SG 2Å; C359-C407 PolarHBondContact SG-SG 2.92Å; C403-C407 WeakPolarHBondContact O-CB 3.12Å; C403-C407 PolarHBondContact O-N 3.4Å; C407-E409 VanDerWaalsContact C-N 3.32Å; C407-E409 PolarHBondContact O-N 3.13Å; C407-N410 HydrophobicContact CB-CB 4.44Å; C407-N410 PolarHBondContact O-N 2.85Å
408N80.7Confident86.8Confident84 Ų8474.6 Ų74.645%0.44936%0.358SS..THydrogen-bonded Turntrans53.4-82.3179.7-65.4-21.4000113.2D199 Q404D199-N408 PolarHBondContact OD2-ND2 3.12Å; Q404-N408 WeakPolarHBondContact O-CA 3.45Å; Q404-N408 PolarHBondContact O-N 3.46Å; Q404-N408 VanDerWaalsContact O-N 3.16Å; Q404-N408 PolarHBondContact O-OD1 2.59Å
409E77.5Confident86.2Confident174 Ų17479.3 Ų79.381%0.81338%0.38SS*.THydrogen-bonded Turntrans-106-15.1-174.3-59.5-169.5172.800115.2C407 C411C407-E409 VanDerWaalsContact C-N 3.32Å; C407-E409 PolarHBondContact O-N 3.13Å; E409-C411 PolarHBondContact O-N 3.45Å
410N82.2Confident85.6Confident102 Ų10276.5 Ų76.555%0.54537%0.374SS..SBendtrans-8638.1-173.6-78.5-31.9000114.2C359 C407C359-N410 HydrophobicContact CB-CB 4.22Å; C359-N410 WeakPolarHBondContact CB-O 3.28Å; C407-N410 HydrophobicContact CB-CB 4.44Å; C407-N410 PolarHBondContact O-N 2.85Å
411C83Confident85Confident9 Ų981.4 Ų81.46%0.06140%0.396CS..SBendtrans-118.3157-175.6-58.80000111.5C403 Q404 E409C403-C411 HydrophobicContact CB-CB 3.75Å; C403-C411 WeakPolarHBondContact CB-SG 3.46Å; C403-C411 PolarHBondContact O-SG 3.22Å; C403-C411 VanDerWaalsContact O-SG 3.34Å; C403-C411 VanDerWaalsContact SG-CA 3.55Å; C403-C411 WeakPolarHBondContact SG-CB 3.26Å; C403-C411 CovalentContact SG-SG 2.04Å; C403-C411 PolarHBondContact SG-SG 3.03Å; Q404-C411 HydrophobicContact CG-CB 4.21Å; Q404-C411 PolarHBondContact N-SG 3.03Å; Q404-C411 VanDerWaalsContact N-SG 3.37Å; E409-C411 PolarHBondContact O-N 3.45Å
412P80.1Confident84.5Confident44 Ų4485.3 Ų85.329%0.28641%0.41SS..  trans-53.2143.3165.4-18.829.8000109.9D364 Q404D364-P412 HydrophobicContact CB-CG 3.95Å; Q404-P412 PolarHBondContact NE2-O 3.44Å
413R72.7Confident83.9Confident315 Ų31582.9 Ų82.9100%1.18940%0.4SS*.  trans-75.80177.1-83.1-171.3178.9170.7-0.5112

Retrieved 413 of 413 residues in 97 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).