A0A060CZB3_MAIZE Loading...

MYB transcription factor

AlphaFold DB (C6G8A7), UniProt , Accession A0A060CZB3, Species MAIZE (Zea mays, Maize), Gene MYB3, Length 335 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
1M49.9Very low65.9Low247 Ų247122.9 Ų122.9100%1.21771%0.705SS**  0131.60-58.6177.6-167.200108.9
2G58.8Low67.1Low77 Ų77117.1 Ų117.179%0.79467%0.67SS**PPolyproline II helixtrans-73.6147.5177.200000111.9A4G2-A4 PolarHBondContact O-N 3.36Å
3R71.1Confident68.2Low234 Ų234116.8 Ų116.888%0.88366%0.656SS**PPolyproline II helixtrans-67.8125.5172.7-75.3-173.8172.9-164.2-3.6109.4
4A66.3Low69.3Low77 Ų77124.1 Ų124.164%0.63667%0.669SS**PPolyproline II helixtrans-54.9143.5174.600000111.3G2 C6G2-A4 PolarHBondContact O-N 3.36Å; A4-C6 PolarHBondContact O-N 3.22Å
5P69.8Low70.6Confident111 Ų111119.7 Ų119.772%0.72166%0.663SS**PPolyproline II helixtrans-56.2131.9176.223.4-32.8000109.9C7P5-C7 PolarHBondContact O-N 3.32Å
6C64.6Low72Confident64 Ų64126.9 Ų126.943%0.43268%0.677SS.*SBendtrans-63.7-16.9-171.6-162.90000113.9A4 R38A4-C6 PolarHBondContact O-N 3.22Å; C6-R38 PolarHBondContact SG-NH1 3.15Å; C6-R38 VanDerWaalsContact SG-NH1 3.39Å
7C68.2Low73.3Confident42 Ų42122.1 Ų122.128%0.28465%0.648SS.*SBendtrans-145.7132.4-175.3-20.30000108.6P5 L12 C49P5-C7 PolarHBondContact O-N 3.32Å; C7-L12 HydrophobicContact CB-CD1 3.8Å; C7-C49 HydrophobicContact CB-CB 3.91Å; C7-C49 WeakPolarHBondContact SG-CB 3.39Å
8E66Low74.6Confident141 Ų141118.6 Ų118.666%0.65963%0.632SS**  trans-68.5127.1160.1-168.7158.6-156.900107.6V10 L12E8-V10 VanDerWaalsContact C-N 3.29Å; E8-V10 PolarHBondContact O-N 3.01Å; E8-L12 WeakPolarHBondContact O-CD1 3.3Å
9K67Low75.7Confident173 Ų173116 Ų11675%0.75263%0.628SS**  trans-79.8-11.2-164.5-67173.5-177.7172.90113.8
10V68.2Low76.7Confident126 Ų126117.2 Ų117.276%0.76463%0.63SS**SBendtrans-86.7135.1-173.2-171.30000109.8E8 L12E8-V10 VanDerWaalsContact C-N 3.29Å; E8-V10 PolarHBondContact O-N 3.01Å; V10-L12 VanDerWaalsContact C-N 3.3Å; V10-L12 PolarHBondContact O-N 3Å
11G75.4Confident77.6Confident60 Ų60112 Ų11262%0.61960%0.601SS**SBendtrans76.7-4.2172.300000117.6
12L79.9Confident79.8Confident53 Ų53101.2 Ų101.228%0.27755%0.549SS..  trans-76.1125.7-179.6-63.3-178000112.8C7 E8 V10 R14 L47 C49C7-L12 HydrophobicContact CB-CD1 3.8Å; E8-L12 WeakPolarHBondContact O-CD1 3.3Å; V10-L12 VanDerWaalsContact C-N 3.3Å; V10-L12 PolarHBondContact O-N 3Å; L12-R14 PolarHBondContact O-N 3.42Å; L12-L47 CarbonylContact C-O 3.59Å; L12-L47 WeakPolarHBondContact CA-O 3.2Å; L12-C49 HydrophobicContact CD1-CB 4.11Å
13K81.9Confident81.6Confident114 Ų114103.4 Ų103.450%0.49654%0.538SS..  trans-63.7130.5173.4-71.5-178.8176.6178.70110.4E21 L47 R48K13-E21 WeakPolarHBondContact CD-OE1 3.36Å; K13-L47 HydrophobicContact CD-CB 4.47Å; K13-L47 HydrophobicContact CG-CB 4.24Å; K13-L47 PolarHBondContact N-O 3.34Å; K13-R48 WeakPolarHBondContact O-CD 3.48Å
14R82.9Confident82.7Confident219 Ų21996.3 Ų96.383%0.82652%0.518SS*.  trans-117.7140.7172.7-59-174.6-172-176.45.7108.9L12L12-R14 PolarHBondContact O-N 3.42Å
15G89.1Confident84.1Confident57 Ų5792.7 Ų92.759%0.58849%0.487SS*.SBendtrans127.3-166.9-178.300000112.6R48G15-R48 PolarHBondContact O-NH1 3.13Å
16R92.8Very high85.4Confident236 Ų23688.8 Ų88.889%0.89147%0.465SS*.SBendtrans-55.6149.5177.3-65179.3-179.3-100.80.1110.7R48R16-R48 PolarHBondContact O-NH2 3.23Å
17W94.8Very high86.9Confident45 Ų4590.3 Ų90.317%0.1747%0.468CS..PPolyproline II helixtrans-79139.4172.6-8075000109.8E21 D22 L25 L46 R48 S52 C53 R56W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.03Å; W17-D22 VanDerWaalsContact CE3-OD1 3.29Å; W17-L25 HydrophobicContact CH2-CD2 3.7Å; W17-L25 HydrophobicContact CZ3-CB 4.34Å; W17-L25 HydrophobicContact CZ3-CD2 3.7Å; W17-L46 HydrophobicContact CH2-CD2 3.6Å; W17-L46 HydrophobicContact CZ3-CD2 3.63Å; W17-R48 HydrophobicContact CH2-CB 4.23Å; W17-R48 HydrophobicContact CH2-CG 3.98Å; W17-R48 HydrophobicContact CZ2-CB 4.29Å; W17-R48 HydrophobicContact CZ2-CG 4.05Å; W17-R48 HydrophobicContact CZ3-CG 4.49Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.44Å; W17-S52 PolarHBondContact NE1-OG 2.85Å; W17-C53 HydrophobicContact CH2-CB 4.33Å; W17-R56 HydrophobicContact CD2-CB 4.04Å; W17-R56 HydrophobicContact CD2-CG 3.58Å; W17-R56 HydrophobicContact CE3-CB 4.41Å; W17-R56 HydrophobicContact CE3-CG 3.78Å; W17-R56 HydrophobicContact CG-CG 4Å; W17-R56 HydrophobicContact CH2-CB 4.08Å; W17-R56 HydrophobicContact CH2-CG 4.29Å; W17-R56 HydrophobicContact CZ2-CB 3.67Å; W17-R56 HydrophobicContact CZ2-CG 4.11Å; W17-R56 HydrophobicContact CZ3-CB 4.41Å; W17-R56 HydrophobicContact CZ3-CG 4.12Å
18T95.4Very high88.2Confident59 Ų5989.9 Ų89.936%0.36246%0.461SS..PPolyproline II helixtrans-90.5157.5170.471.20000110.8E20 E21 D22T18-E20 PolarHBondContact O-N 2.99Å; T18-E21 PolarHBondContact N-OE2 3.08Å; T18-E21 PolarHBondContact O-N 3.35Å; T18-E21 VanDerWaalsContact O-N 3.15Å; T18-E21 WeakPolarHBondContact OG1-CG 3.37Å; T18-E21 PolarHBondContact OG1-N 2.92Å; T18-D22 PolarHBondContact O-N 3.39Å
19A95.7Very high89.6Confident69 Ų6983.7 Ų83.757%0.5743%0.432SS*.Hα-helixtrans-60.6-33.5175.900000112.3D22 Q23A19-D22 PolarHBondContact O-N 2.88Å; A19-Q23 WeakPolarHBondContact O-CB 3.44Å; A19-Q23 VanDerWaalsContact O-CG 3.3Å; A19-Q23 WeakPolarHBondContact O-CG 3.36Å; A19-Q23 PolarHBondContact O-N 3.41Å
20E96Very high90.9Very high139 Ų13979.5 Ų79.565%0.6543%0.43SS*.Hα-helixtrans-62.7-45.4173.2-59.3168173.600111.9T18 D22 Q23 L24T18-E20 PolarHBondContact O-N 2.99Å; E20-D22 VanDerWaalsContact C-N 3.32Å; E20-D22 PolarHBondContact O-N 3.48Å; E20-Q23 PolarHBondContact O-N 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.31Å; E20-L24 PolarHBondContact O-N 3.45Å
21E95.9Very high92.2Very high8 Ų880.6 Ų80.64%0.03743%0.427CS..Hα-helixtrans-65.4-36.6177.2-72.1176.1135.200111.9K13 W17 T18 L25 L46 R48K13-E21 WeakPolarHBondContact CD-OE1 3.36Å; W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.03Å; T18-E21 PolarHBondContact N-OE2 3.08Å; T18-E21 PolarHBondContact O-N 3.35Å; T18-E21 VanDerWaalsContact O-N 3.15Å; T18-E21 WeakPolarHBondContact OG1-CG 3.37Å; T18-E21 PolarHBondContact OG1-N 2.92Å; E21-L25 WeakPolarHBondContact O-CB 3.35Å; E21-L25 PolarHBondContact O-N 3.25Å; E21-L25 VanDerWaalsContact O-N 3.08Å; E21-L46 HydrophobicContact CB-CD1 3.87Å; E21-L46 HydrophobicContact CG-CD1 3.88Å; E21-R48 VanDerWaalsContact CD-NH2 3.3Å; E21-R48 IonicContact OE1-CZ 3.38Å; E21-R48 IonicContact OE1-NE 3.52Å; E21-R48 PolarHBondContact OE1-NE 2.99Å; E21-R48 IonicContact OE1-NH2 3.11Å; E21-R48 PolarHBondContact OE1-NH2 3.31Å; E21-R48 VanDerWaalsContact OE1-NH2 3.11Å; E21-R48 IonicContact OE2-CZ 3.43Å; E21-R48 IonicContact OE2-NE 2.79Å; E21-R48 IonicContact OE2-NH2 2.67Å; E21-R48 PolarHBondContact OE2-NH2 3.08Å
22D96.3Very high93.1Very high21 Ų2183.2 Ų83.211%0.11242%0.423CS..Hα-helixtrans-67.4-41.2175.3-72.2-31.6000111.9W17 T18 A19 E20 L25 A26 R56 L61W17-D22 VanDerWaalsContact CE3-OD1 3.29Å; T18-D22 PolarHBondContact O-N 3.39Å; A19-D22 PolarHBondContact O-N 2.88Å; E20-D22 VanDerWaalsContact C-N 3.32Å; E20-D22 PolarHBondContact O-N 3.48Å; D22-L25 PolarHBondContact O-N 2.86Å; D22-A26 VanDerWaalsContact O-CB 3.31Å; D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 3.4Å; D22-R56 WeakPolarHBondContact OD1-CG 3.35Å; D22-R56 IonicContact OD1-CZ 3.54Å; D22-R56 IonicContact OD1-NE 2.74Å; D22-R56 PolarHBondContact OD1-NE 3.27Å; D22-R56 IonicContact OD1-NH2 3.5Å; D22-R56 PolarHBondContact OD1-NH2 3.45Å; D22-R56 IonicContact OD2-CZ 3.49Å; D22-R56 IonicContact OD2-NE 3.5Å; D22-R56 PolarHBondContact OD2-NE 2.88Å; D22-R56 IonicContact OD2-NH2 2.67Å; D22-R56 PolarHBondContact OD2-NH2 3.48Å; D22-L61 HydrophobicContact CB-CD1 4Å; D22-L61 HydrophobicContact CB-CD2 3.78Å
23Q96.1Very high93.7Very high123 Ų12382.2 Ų82.258%0.57543%0.426SS*.Hα-helixtrans-63.8-46.7174.9-76.3172.91.700111.8A19 E20 L25 A26 N27A19-Q23 WeakPolarHBondContact O-CB 3.44Å; A19-Q23 VanDerWaalsContact O-CG 3.3Å; A19-Q23 WeakPolarHBondContact O-CG 3.36Å; A19-Q23 PolarHBondContact O-N 3.41Å; E20-Q23 PolarHBondContact O-N 3.3Å; Q23-L25 VanDerWaalsContact C-N 3.3Å; Q23-L25 PolarHBondContact O-N 2.88Å; Q23-A26 PolarHBondContact O-N 3.25Å; Q23-N27 WeakPolarHBondContact O-CB 3.46Å; Q23-N27 PolarHBondContact O-N 2.92Å; Q23-N27 PolarHBondContact O-OD1 3.43Å
24L95.5Very high94.1Very high86 Ų8679.9 Ų79.945%0.4542%0.417SS..Hα-helixtrans-58.1-43.2175.5-73.5170.2000111.8E20 Y28 L46E20-L24 WeakPolarHBondContact O-CG 3.31Å; E20-L24 PolarHBondContact O-N 3.45Å; L24-Y28 WeakPolarHBondContact O-CB 3.44Å; L24-Y28 PolarHBondContact O-N 3Å; L24-Y28 VanDerWaalsContact O-N 3.16Å; L24-L46 HydrophobicContact CB-CD1 4.06Å; L24-L46 HydrophobicContact CD1-CD1 3.95Å
25L95.7Very high94.4Very high0 Ų072.5 Ų72.50%041%0.409CS..Hα-helixtrans-65.2-43.9176.9177.856.4000112.1W17 E21 D22 Q23 I29 W37 L40 L46 C53 R56 L61W17-L25 HydrophobicContact CH2-CD2 3.7Å; W17-L25 HydrophobicContact CZ3-CB 4.34Å; W17-L25 HydrophobicContact CZ3-CD2 3.7Å; E21-L25 WeakPolarHBondContact O-CB 3.35Å; E21-L25 PolarHBondContact O-N 3.25Å; E21-L25 VanDerWaalsContact O-N 3.08Å; D22-L25 PolarHBondContact O-N 2.86Å; Q23-L25 VanDerWaalsContact C-N 3.3Å; Q23-L25 PolarHBondContact O-N 2.88Å; L25-I29 HydrophobicContact CD1-CD1 3.6Å; L25-I29 HydrophobicContact CD1-CG1 4.34Å; L25-I29 HydrophobicContact CG-CD1 4.13Å; L25-I29 VanDerWaalsContact O-CG1 3.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.29Å; L25-W37 HydrophobicContact CD1-CZ3 4.48Å; L25-L40 HydrophobicContact CD1-CD2 3.5Å; L25-L46 HydrophobicContact CB-CD2 4.5Å; L25-C53 HydrophobicContact CD1-CB 3.96Å; L25-C53 HydrophobicContact CD2-CB 4.25Å; L25-R56 HydrophobicContact CD2-CB 4.08Å; L25-R56 HydrophobicContact CD2-CG 4.16Å; L25-L61 HydrophobicContact CB-CD1 4.29Å; L25-L61 HydrophobicContact CD2-CD1 3.75Å; L25-L61 HydrophobicContact CG-CD1 4.08Å
26A95.8Very high94.6Very high30 Ų3073.1 Ų73.125%0.24840%0.404CS..Hα-helixtrans-68.4-45.7-179.400000112.4D22 Q23 I29 A30 W57D22-A26 VanDerWaalsContact O-CB 3.31Å; D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 3.4Å; Q23-A26 PolarHBondContact O-N 3.25Å; A26-I29 PolarHBondContact O-N 3.16Å; A26-A30 WeakPolarHBondContact O-CB 3.38Å; A26-A30 PolarHBondContact O-N 3.14Å; A26-W57 HydrophobicContact CB-CZ3 4.13Å
27N95.4Very high94.6Very high95 Ų9563.6 Ų63.651%0.50837%0.368SS..Hα-helixtrans-61.8-47.2179-67.2-2.5000110.9Q23 I29 A30 E31Q23-N27 WeakPolarHBondContact O-CB 3.46Å; Q23-N27 PolarHBondContact O-N 2.92Å; Q23-N27 PolarHBondContact O-OD1 3.43Å; N27-I29 VanDerWaalsContact C-N 3.3Å; N27-I29 PolarHBondContact O-N 2.67Å; N27-A30 PolarHBondContact O-N 3.11Å; N27-A30 VanDerWaalsContact O-N 3.14Å; N27-E31 WeakPolarHBondContact O-CG 3.27Å; N27-E31 PolarHBondContact O-N 2.84Å
28Y95.8Very high94.3Very high33 Ų3368.5 Ų68.513%0.12939%0.387CS..Hα-helixtrans-58.1-42.3177.7-178-84.5000112.2L24 E31 H32 L40 N43 A44L24-Y28 WeakPolarHBondContact O-CB 3.44Å; L24-Y28 PolarHBondContact O-N 3Å; L24-Y28 VanDerWaalsContact O-N 3.16Å; Y28-E31 PolarHBondContact O-N 2.67Å; Y28-H32 HydrophobicContact CD1-CB 4.44Å; Y28-H32 AromaticContact CD2-ND1 3.77Å; Y28-H32 HydrophobicContact CE1-CB 3.92Å; Y28-H32 AromaticContact CE2-CE1 3.89Å; Y28-H32 AromaticContact CE2-CG 3.97Å; Y28-H32 AromaticContact CE2-ND1 3.69Å; Y28-H32 AromaticContact CZ-CG 3.83Å; Y28-H32 AromaticContact CZ-ND1 3.99Å; Y28-H32 WeakPolarHBondContact O-CB 3.4Å; Y28-H32 PolarHBondContact O-N 3.5Å; Y28-H32 PolarHBondContact O-ND1 3.18Å; Y28-L40 HydrophobicContact CD1-CD1 4.14Å; Y28-L40 HydrophobicContact CD1-CD2 4.29Å; Y28-L40 HydrophobicContact CD1-CG 3.72Å; Y28-L40 HydrophobicContact CE1-CB 4.4Å; Y28-L40 HydrophobicContact CE1-CD1 4.19Å; Y28-L40 HydrophobicContact CE1-CG 3.7Å; Y28-N43 HydrophobicContact CD2-CB 4.45Å; Y28-N43 HydrophobicContact CE2-CB 3.43Å; Y28-N43 VanDerWaalsContact CE2-CB 3.43Å; Y28-N43 WeakPolarHBondContact OH-CB 3.13Å; Y28-N43 PolarHBondContact OH-ND2 2.77Å; Y28-N43 VanDerWaalsContact OH-ND2 3.08Å; Y28-A44 HydrophobicContact CD1-CB 4.34Å; Y28-A44 HydrophobicContact CD2-CB 3.76Å; Y28-A44 HydrophobicContact CG-CB 3.65Å
29I95.3Very high94Very high11 Ų1168 Ų686%0.05639%0.386CS..Hα-helixtrans-72.4-32.2178.9-67.9170.2000111.8L25 A26 N27 E31 G33 E34 W37 L40 W57L25-I29 HydrophobicContact CD1-CD1 3.6Å; L25-I29 HydrophobicContact CD1-CG1 4.34Å; L25-I29 HydrophobicContact CG-CD1 4.13Å; L25-I29 VanDerWaalsContact O-CG1 3.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.29Å; A26-I29 PolarHBondContact O-N 3.16Å; N27-I29 VanDerWaalsContact C-N 3.3Å; N27-I29 PolarHBondContact O-N 2.67Å; I29-E31 VanDerWaalsContact C-N 3.33Å; I29-G33 WeakPolarHBondContact O-CA 3.3Å; I29-G33 PolarHBondContact O-N 3.5Å; I29-E34 HydrophobicContact CG2-CG 4.12Å; I29-W37 HydrophobicContact CD1-CH2 3.69Å; I29-W37 HydrophobicContact CD1-CZ3 4Å; I29-L40 HydrophobicContact CD1-CD1 4.08Å; I29-L40 HydrophobicContact CG1-CD1 3.87Å; I29-W57 HydrophobicContact CB-CH2 4.22Å; I29-W57 HydrophobicContact CB-CZ2 4.33Å; I29-W57 HydrophobicContact CB-CZ3 4.38Å; I29-W57 HydrophobicContact CD1-CB 4.29Å; I29-W57 HydrophobicContact CD1-CD2 3.49Å; I29-W57 VanDerWaalsContact CD1-CD2 3.49Å; I29-W57 HydrophobicContact CD1-CE3 3.6Å; I29-W57 HydrophobicContact CD1-CG 3.79Å; I29-W57 HydrophobicContact CD1-CZ2 4.47Å; I29-W57 HydrophobicContact CD1-CZ3 4.18Å; I29-W57 HydrophobicContact CG2-CD2 4.42Å; I29-W57 HydrophobicContact CG2-CH2 3.79Å; I29-W57 HydrophobicContact CG2-CZ2 3.47Å; I29-W57 VanDerWaalsContact CG2-CZ2 3.47Å; I29-W57 HydrophobicContact CG2-CZ3 4.38Å
30A94.6Very high93.9Very high86 Ų8664.8 Ų64.871%0.71136%0.359SS*.Hα-helixtrans-65.8-36.8173.500000112.1A26 N27A26-A30 WeakPolarHBondContact O-CB 3.38Å; A26-A30 PolarHBondContact O-N 3.14Å; N27-A30 PolarHBondContact O-N 3.11Å; N27-A30 VanDerWaalsContact O-N 3.14Å
31E95Very high93.7Very high149 Ų14958.5 Ų58.570%0.69633%0.33SS*.Hα-helixtrans-79.7-39.5178.8-69.9170.2-174.700113.6N27 Y28 I29N27-E31 WeakPolarHBondContact O-CG 3.27Å; N27-E31 PolarHBondContact O-N 2.84Å; Y28-E31 PolarHBondContact O-N 2.67Å; I29-E31 VanDerWaalsContact C-N 3.33Å
32H94.4Very high93.4Very high114 Ų11465.9 Ų65.953%0.52836%0.362SS..Hα-helixtrans-116.6-7.6-168.5-59.479.6000114.7Y28Y28-H32 HydrophobicContact CD1-CB 4.44Å; Y28-H32 AromaticContact CD2-ND1 3.77Å; Y28-H32 HydrophobicContact CE1-CB 3.92Å; Y28-H32 AromaticContact CE2-CE1 3.89Å; Y28-H32 AromaticContact CE2-CG 3.97Å; Y28-H32 AromaticContact CE2-ND1 3.69Å; Y28-H32 AromaticContact CZ-CG 3.83Å; Y28-H32 AromaticContact CZ-ND1 3.99Å; Y28-H32 WeakPolarHBondContact O-CB 3.4Å; Y28-H32 PolarHBondContact O-N 3.5Å; Y28-H32 PolarHBondContact O-ND1 3.18Å
33G93.3Very high93.2Very high33 Ų3369.5 Ų69.534%0.3438%0.382SS..  trans73.7177.2-167.300000113.9I29 G35I29-G33 WeakPolarHBondContact O-CA 3.3Å; I29-G33 PolarHBondContact O-N 3.5Å; G33-G35 VanDerWaalsContact C-N 3.27Å; G33-G35 PolarHBondContact O-N 2.74Å
34E90.4Very high93Very high64 Ų6464.3 Ų64.330%0.29936%0.359SS..SBendtrans-64.4-30.7-178.4-66.1-169.5-173.800113.1I29 W37 W57 R62I29-E34 HydrophobicContact CG2-CG 4.12Å; E34-W37 HydrophobicContact CB-CH2 4.49Å; E34-W37 HydrophobicContact CB-CZ2 3.79Å; E34-W37 HydrophobicContact CG-CH2 4.48Å; E34-W37 HydrophobicContact CG-CZ2 3.95Å; E34-W57 PolarHBondContact OE1-NE1 3.27Å; E34-R62 IonicContact OE1-NH1 3.49Å; E34-R62 PolarHBondContact OE1-NH1 3.32Å
35G89.5Confident92.8Very high65 Ų6563.1 Ų63.167%0.6737%0.368SS*.  trans48-141.5170.300000115.8G33G33-G35 VanDerWaalsContact C-N 3.27Å; G33-G35 PolarHBondContact O-N 2.74Å
36S92.6Very high92.6Very high69 Ų6963.6 Ų63.648%0.48337%0.371SS..  trans-91.7103.9174.7179.30000110.9R38 S39 L40S36-R38 PolarHBondContact O-N 2.79Å; S36-S39 PolarHBondContact O-N 2.83Å; S36-S39 VanDerWaalsContact O-N 3.08Å; S36-S39 PolarHBondContact O-OG 2.79Å; S36-L40 WeakPolarHBondContact O-CB 3.32Å; S36-L40 PolarHBondContact O-N 2.81Å
37W93.1Very high92.4Very high37 Ų3766.7 Ų66.714%0.1438%0.383CS..THydrogen-bonded Turntrans-50.7-19.6174.1-66.9102.5000115L25 I29 E34 L40 P41 G50 C53 R54 W57L25-W37 HydrophobicContact CD1-CZ3 4.48Å; I29-W37 HydrophobicContact CD1-CH2 3.69Å; I29-W37 HydrophobicContact CD1-CZ3 4Å; E34-W37 HydrophobicContact CB-CH2 4.49Å; E34-W37 HydrophobicContact CB-CZ2 3.79Å; E34-W37 HydrophobicContact CG-CH2 4.48Å; E34-W37 HydrophobicContact CG-CZ2 3.95Å; W37-L40 HydrophobicContact CE3-CD1 3.79Å; W37-L40 HydrophobicContact CH2-CD1 4.34Å; W37-L40 HydrophobicContact CZ3-CD1 3.68Å; W37-P41 WeakPolarHBondContact O-CD 3.33Å; W37-G50 WeakPolarHBondContact O-CA 3.31Å; W37-C53 HydrophobicContact CE3-CB 4.22Å; W37-C53 HydrophobicContact CZ3-CB 4.2Å; W37-R54 HydrophobicContact CB-CB 4.47Å; W37-R54 HydrophobicContact CD2-CB 3.48Å; W37-R54 VanDerWaalsContact CD2-CB 3.48Å; W37-R54 HydrophobicContact CD2-CG 3.74Å; W37-R54 HydrophobicContact CE3-CB 3.57Å; W37-R54 HydrophobicContact CE3-CG 4.24Å; W37-R54 HydrophobicContact CG-CB 3.89Å; W37-R54 HydrophobicContact CG-CG 4.07Å; W37-R54 HydrophobicContact CH2-CB 4.48Å; W37-R54 HydrophobicContact CZ2-CB 4.38Å; W37-R54 HydrophobicContact CZ2-CG 4.06Å; W37-R54 VanDerWaalsContact CZ3-CA 3.42Å; W37-R54 HydrophobicContact CZ3-CB 4.1Å; W37-W57 HydrophobicContact CH2-CB 3.53Å; W37-W57 AromaticContact CH2-CD1 3.54Å; W37-W57 AromaticContact CH2-CG 3.62Å; W37-W57 HydrophobicContact CH2-CG 3.62Å; W37-W57 HydrophobicContact CZ2-CB 4.45Å; W37-W57 AromaticContact CZ2-CD1 3.83Å; W37-W57 HydrophobicContact CZ2-CG 4.35Å; W37-W57 HydrophobicContact CZ3-CB 4.11Å
38R89.4Confident92.3Very high148 Ų14862.9 Ų62.956%0.55836%0.361SS*.THydrogen-bonded Turntrans-77.4-39.4178.6-67.4179-179.2-86.5-1.7113.3C6 S36C6-R38 PolarHBondContact SG-NH1 3.15Å; C6-R38 VanDerWaalsContact SG-NH1 3.39Å; S36-R38 PolarHBondContact O-N 2.79Å
39S89.3Confident92Very high48 Ų4863 Ų6334%0.33637%0.366SS..THydrogen-bonded Turntrans-89.9-28.8178.548.90000112.2S36 P41 K42 N43S36-S39 PolarHBondContact O-N 2.83Å; S36-S39 VanDerWaalsContact O-N 3.08Å; S36-S39 PolarHBondContact O-OG 2.79Å; S39-P41 VanDerWaalsContact O-N 3.12Å; S39-K42 PolarHBondContact O-N 2.87Å; S39-N43 PolarHBondContact O-N 3.26Å; S39-N43 VanDerWaalsContact O-N 3.12Å; S39-N43 PolarHBondContact O-OD1 3.36Å
40L92.5Very high91.9Very high2 Ų262.7 Ų62.71%0.0137%0.366CS..Hα-helixtrans-41.8-50-177.8-171.8157.9000114.4L25 Y28 I29 S36 W37 K42 N43 A44 C53L25-L40 HydrophobicContact CD1-CD2 3.5Å; Y28-L40 HydrophobicContact CD1-CD1 4.14Å; Y28-L40 HydrophobicContact CD1-CD2 4.29Å; Y28-L40 HydrophobicContact CD1-CG 3.72Å; Y28-L40 HydrophobicContact CE1-CB 4.4Å; Y28-L40 HydrophobicContact CE1-CD1 4.19Å; Y28-L40 HydrophobicContact CE1-CG 3.7Å; I29-L40 HydrophobicContact CD1-CD1 4.08Å; I29-L40 HydrophobicContact CG1-CD1 3.87Å; S36-L40 WeakPolarHBondContact O-CB 3.32Å; S36-L40 PolarHBondContact O-N 2.81Å; W37-L40 HydrophobicContact CE3-CD1 3.79Å; W37-L40 HydrophobicContact CH2-CD1 4.34Å; W37-L40 HydrophobicContact CZ3-CD1 3.68Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.12Å; L40-N43 PolarHBondContact O-N 2.96Å; L40-A44 HydrophobicContact CD2-CB 4.37Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.39Å; L40-A44 PolarHBondContact O-N 3.49Å; L40-C53 HydrophobicContact CD2-CB 4.21Å
41P91.8Very high91.7Very high7 Ų766.3 Ų66.35%0.04537%0.365CS..Hα-helixtrans-65.7-35.6-177.1-12.424.9000113W37 S39 G45 L46 R48W37-P41 WeakPolarHBondContact O-CD 3.33Å; S39-P41 VanDerWaalsContact O-N 3.12Å; P41-G45 PolarHBondContact O-N 3.28Å; P41-L46 PolarHBondContact O-N 3.49Å; P41-R48 WeakPolarHBondContact CB-O 3.47Å
42K90Very high91.6Very high162 Ų16260.7 Ų60.770%0.70434%0.343SS*.Hα-helixtrans-67.7-41.9177.2-66.5-165.7173.3-163.30110.8S39 L40 G45S39-K42 PolarHBondContact O-N 2.87Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.12Å; K42-G45 PolarHBondContact O-N 2.81Å
43N91.1Very high91.6Very high98 Ų9855.2 Ų55.252%0.52432%0.317SS..Hα-helixtrans-71.6-37.2-179.2-62.712.8000112.3Y28 S39 L40 G45Y28-N43 HydrophobicContact CD2-CB 4.45Å; Y28-N43 HydrophobicContact CE2-CB 3.43Å; Y28-N43 VanDerWaalsContact CE2-CB 3.43Å; Y28-N43 WeakPolarHBondContact OH-CB 3.13Å; Y28-N43 PolarHBondContact OH-ND2 2.77Å; Y28-N43 VanDerWaalsContact OH-ND2 3.08Å; S39-N43 PolarHBondContact O-N 3.26Å; S39-N43 VanDerWaalsContact O-N 3.12Å; S39-N43 PolarHBondContact O-OD1 3.36Å; L40-N43 PolarHBondContact O-N 2.96Å; N43-G45 PolarHBondContact O-N 3.5Å
44A92.4Very high91.7Very high13 Ų1360.2 Ų60.211%0.10733%0.326CS..THydrogen-bonded Turntrans-78.85.7177.500000114.1Y28 L40 L46Y28-A44 HydrophobicContact CD1-CB 4.34Å; Y28-A44 HydrophobicContact CD2-CB 3.76Å; Y28-A44 HydrophobicContact CG-CB 3.65Å; L40-A44 HydrophobicContact CD2-CB 4.37Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.39Å; L40-A44 PolarHBondContact O-N 3.49Å; A44-L46 HydrophobicContact CB-CB 4.4Å; A44-L46 PolarHBondContact O-N 2.72Å
45G91.7Very high91.9Very high62 Ų6261.9 Ų61.964%0.63934%0.337SS*.THydrogen-bonded Turntrans6618.7-176.500000114.7P41 K42 N43P41-G45 PolarHBondContact O-N 3.28Å; K42-G45 PolarHBondContact O-N 2.81Å; N43-G45 PolarHBondContact O-N 3.5Å
46L92.1Very high92.2Very high9 Ų961.2 Ų61.25%0.04731%0.314CS..  trans-100.9121.9-166.7-156.975.5000112.5W17 E21 L24 L25 P41 A44 R48W17-L46 HydrophobicContact CH2-CD2 3.6Å; W17-L46 HydrophobicContact CZ3-CD2 3.63Å; E21-L46 HydrophobicContact CB-CD1 3.87Å; E21-L46 HydrophobicContact CG-CD1 3.88Å; L24-L46 HydrophobicContact CB-CD1 4.06Å; L24-L46 HydrophobicContact CD1-CD1 3.95Å; L25-L46 HydrophobicContact CB-CD2 4.5Å; P41-L46 PolarHBondContact O-N 3.49Å; A44-L46 HydrophobicContact CB-CB 4.4Å; A44-L46 PolarHBondContact O-N 2.72Å; L46-R48 HydrophobicContact CD2-CB 4.01Å; L46-R48 HydrophobicContact CD2-CG 3.95Å; L46-R48 HydrophobicContact CG-CB 4.24Å; L46-R48 HydrophobicContact CG-CG 4.02Å; L46-R48 PolarHBondContact O-N 3.28Å
47L91.3Very high92.3Very high96 Ų9659.4 Ų59.450%0.50330%0.296SS..SBendtrans-76.742.5179.4-59.8179.5000113.5L12 K13L12-L47 CarbonylContact C-O 3.59Å; L12-L47 WeakPolarHBondContact CA-O 3.2Å; K13-L47 HydrophobicContact CD-CB 4.47Å; K13-L47 HydrophobicContact CG-CB 4.24Å; K13-L47 PolarHBondContact N-O 3.34Å
48R91.9Very high92.4Very high15 Ų1560.4 Ų60.46%0.05730%0.304CS..SBendtrans-123.3162.2179.6-63.2-64.5-175142.6-1.4110K13 G15 R16 W17 E21 P41 L46K13-R48 WeakPolarHBondContact O-CD 3.48Å; G15-R48 PolarHBondContact O-NH1 3.13Å; R16-R48 PolarHBondContact O-NH2 3.23Å; W17-R48 HydrophobicContact CH2-CB 4.23Å; W17-R48 HydrophobicContact CH2-CG 3.98Å; W17-R48 HydrophobicContact CZ2-CB 4.29Å; W17-R48 HydrophobicContact CZ2-CG 4.05Å; W17-R48 HydrophobicContact CZ3-CG 4.49Å; E21-R48 VanDerWaalsContact CD-NH2 3.3Å; E21-R48 IonicContact OE1-CZ 3.38Å; E21-R48 IonicContact OE1-NE 3.52Å; E21-R48 PolarHBondContact OE1-NE 2.99Å; E21-R48 IonicContact OE1-NH2 3.11Å; E21-R48 PolarHBondContact OE1-NH2 3.31Å; E21-R48 VanDerWaalsContact OE1-NH2 3.11Å; E21-R48 IonicContact OE2-CZ 3.43Å; E21-R48 IonicContact OE2-NE 2.79Å; E21-R48 IonicContact OE2-NH2 2.67Å; E21-R48 PolarHBondContact OE2-NH2 3.08Å; P41-R48 WeakPolarHBondContact CB-O 3.47Å; L46-R48 HydrophobicContact CD2-CB 4.01Å; L46-R48 HydrophobicContact CD2-CG 3.95Å; L46-R48 HydrophobicContact CG-CB 4.24Å; L46-R48 HydrophobicContact CG-CG 4.02Å; L46-R48 PolarHBondContact O-N 3.28Å
49C91.1Very high92.6Very high34 Ų3453.8 Ų53.823%0.2328%0.28CS..  trans-87.6153174.269.10000112.3C7 L12 K51 S52 C53C7-C49 HydrophobicContact CB-CB 3.91Å; C7-C49 WeakPolarHBondContact SG-CB 3.39Å; L12-C49 HydrophobicContact CD1-CB 4.11Å; C49-K51 PolarHBondContact O-N 3.35Å; C49-K51 VanDerWaalsContact O-N 3.15Å; C49-S52 WeakPolarHBondContact O-CA 3.44Å; C49-S52 VanDerWaalsContact O-CB 3.31Å; C49-S52 WeakPolarHBondContact O-CB 3.41Å; C49-S52 PolarHBondContact O-N 3.48Å; C49-C53 PolarHBondContact O-N 2.9Å; C49-C53 PolarHBondContact O-SG 3.38Å
50G91.8Very high92.8Very high5 Ų557 Ų575%0.05229%0.285CS..Hα-helixtrans-54.7-35.9-179.300000115.3W37 S52 C53 R54W37-G50 WeakPolarHBondContact O-CA 3.31Å; G50-S52 VanDerWaalsContact C-N 3.33Å; G50-C53 PolarHBondContact O-N 3.48Å; G50-R54 WeakPolarHBondContact O-CB 3.09Å; G50-R54 PolarHBondContact O-N 3.41Å
51K90.7Very high92.9Very high162 Ų16258.9 Ų58.970%0.70430%0.295SS*.Hα-helixtrans-64-38.7173.6-175-179.9178-175.70111.7C49 L55C49-K51 PolarHBondContact O-N 3.35Å; C49-K51 VanDerWaalsContact O-N 3.15Å; K51-L55 WeakPolarHBondContact O-CB 3.47Å; K51-L55 PolarHBondContact O-N 3.12Å; K51-L55 VanDerWaalsContact O-N 3.07Å
52S92.9Very high92.9Very high31 Ų3163.1 Ų63.122%0.21731%0.31CS..Hα-helixtrans-69.3-45.5178.1-166.60000110.8W17 C49 G50 R54 L55 R56W17-S52 WeakPolarHBondContact CZ2-OG 3.44Å; W17-S52 PolarHBondContact NE1-OG 2.85Å; C49-S52 WeakPolarHBondContact O-CA 3.44Å; C49-S52 VanDerWaalsContact O-CB 3.31Å; C49-S52 WeakPolarHBondContact O-CB 3.41Å; C49-S52 PolarHBondContact O-N 3.48Å; G50-S52 VanDerWaalsContact C-N 3.33Å; S52-R54 PolarHBondContact O-N 2.87Å; S52-L55 PolarHBondContact O-N 3.33Å; S52-R56 WeakPolarHBondContact O-CB 3.47Å; S52-R56 PolarHBondContact O-N 2.84Å
53C94.5Very high93Very high0 Ų059.9 Ų59.90%031%0.313CS..Hα-helixtrans-59.8-46.7176.8-54.30000111.6W17 L25 W37 L40 C49 G50 L55 R56 W57W17-C53 HydrophobicContact CH2-CB 4.33Å; L25-C53 HydrophobicContact CD1-CB 3.96Å; L25-C53 HydrophobicContact CD2-CB 4.25Å; W37-C53 HydrophobicContact CE3-CB 4.22Å; W37-C53 HydrophobicContact CZ3-CB 4.2Å; L40-C53 HydrophobicContact CD2-CB 4.21Å; C49-C53 PolarHBondContact O-N 2.9Å; C49-C53 PolarHBondContact O-SG 3.38Å; G50-C53 PolarHBondContact O-N 3.48Å; C53-L55 PolarHBondContact O-N 3.23Å; C53-R56 PolarHBondContact O-N 3.43Å; C53-W57 WeakPolarHBondContact O-CB 3.43Å; C53-W57 PolarHBondContact O-N 2.98Å
54R95.4Very high92.9Very high137 Ų13758.9 Ų58.952%0.51731%0.308SS..Hα-helixtrans-57.5-48.9175.6-172.8174.3179.3-166.5-2.6111.9W37 G50 S52 R56 W57 I58W37-R54 HydrophobicContact CB-CB 4.47Å; W37-R54 HydrophobicContact CD2-CB 3.48Å; W37-R54 VanDerWaalsContact CD2-CB 3.48Å; W37-R54 HydrophobicContact CD2-CG 3.74Å; W37-R54 HydrophobicContact CE3-CB 3.57Å; W37-R54 HydrophobicContact CE3-CG 4.24Å; W37-R54 HydrophobicContact CG-CB 3.89Å; W37-R54 HydrophobicContact CG-CG 4.07Å; W37-R54 HydrophobicContact CH2-CB 4.48Å; W37-R54 HydrophobicContact CZ2-CB 4.38Å; W37-R54 HydrophobicContact CZ2-CG 4.06Å; W37-R54 VanDerWaalsContact CZ3-CA 3.42Å; W37-R54 HydrophobicContact CZ3-CB 4.1Å; G50-R54 WeakPolarHBondContact O-CB 3.09Å; G50-R54 PolarHBondContact O-N 3.41Å; S52-R54 PolarHBondContact O-N 2.87Å; R54-R56 VanDerWaalsContact C-N 3.31Å; R54-R56 PolarHBondContact O-N 2.91Å; R54-W57 PolarHBondContact O-N 3.43Å; R54-I58 HydrophobicContact CG-CD1 4.48Å; R54-I58 HydrophobicContact CG-CG2 4.39Å; R54-I58 WeakPolarHBondContact O-CG1 2.91Å; R54-I58 WeakPolarHBondContact O-CG2 3.45Å; R54-I58 PolarHBondContact O-N 3.43Å; R54-I58 VanDerWaalsContact O-N 3.1Å
55L94.2Very high92.8Very high100 Ų10058.7 Ų58.752%0.52431%0.306SS..Hα-helixtrans-64-38-178.6-170.373.9000111.6K51 S52 C53 N59K51-L55 WeakPolarHBondContact O-CB 3.47Å; K51-L55 PolarHBondContact O-N 3.12Å; K51-L55 VanDerWaalsContact O-N 3.07Å; S52-L55 PolarHBondContact O-N 3.33Å; C53-L55 PolarHBondContact O-N 3.23Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.5Å; L55-N59 WeakPolarHBondContact O-CB 3.39Å; L55-N59 PolarHBondContact O-N 3.44Å; L55-N59 PolarHBondContact O-ND2 3.46Å
56R95.8Very high92.8Very high50 Ų5060.7 Ų60.719%0.18930%0.297CS..Hα-helixtrans-67-46.2177-174.761.2171165.9-3.8111.6W17 D22 L25 S52 C53 R54 Y60 L61W17-R56 HydrophobicContact CD2-CB 4.04Å; W17-R56 HydrophobicContact CD2-CG 3.58Å; W17-R56 HydrophobicContact CE3-CB 4.41Å; W17-R56 HydrophobicContact CE3-CG 3.78Å; W17-R56 HydrophobicContact CG-CG 4Å; W17-R56 HydrophobicContact CH2-CB 4.08Å; W17-R56 HydrophobicContact CH2-CG 4.29Å; W17-R56 HydrophobicContact CZ2-CB 3.67Å; W17-R56 HydrophobicContact CZ2-CG 4.11Å; W17-R56 HydrophobicContact CZ3-CB 4.41Å; W17-R56 HydrophobicContact CZ3-CG 4.12Å; D22-R56 WeakPolarHBondContact OD1-CG 3.35Å; D22-R56 IonicContact OD1-CZ 3.54Å; D22-R56 IonicContact OD1-NE 2.74Å; D22-R56 PolarHBondContact OD1-NE 3.27Å; D22-R56 IonicContact OD1-NH2 3.5Å; D22-R56 PolarHBondContact OD1-NH2 3.45Å; D22-R56 IonicContact OD2-CZ 3.49Å; D22-R56 IonicContact OD2-NE 3.5Å; D22-R56 PolarHBondContact OD2-NE 2.88Å; D22-R56 IonicContact OD2-NH2 2.67Å; D22-R56 PolarHBondContact OD2-NH2 3.48Å; L25-R56 HydrophobicContact CD2-CB 4.08Å; L25-R56 HydrophobicContact CD2-CG 4.16Å; S52-R56 WeakPolarHBondContact O-CB 3.47Å; S52-R56 PolarHBondContact O-N 2.84Å; C53-R56 PolarHBondContact O-N 3.43Å; R54-R56 VanDerWaalsContact C-N 3.31Å; R54-R56 PolarHBondContact O-N 2.91Å; R56-Y60 WeakPolarHBondContact O-CB 3.26Å; R56-Y60 PolarHBondContact O-N 3.49Å; R56-Y60 VanDerWaalsContact O-N 3.12Å; R56-L61 HydrophobicContact CG-CD1 3.94Å; R56-L61 HydrophobicContact CG-CG 4.19Å; R56-L61 PolarHBondContact O-N 3.4Å
57W96Very high92.6Very high31 Ų3167.6 Ų67.612%0.11732%0.322CS..Iπ-helixtrans-57.7-61.4179-178.6-111.4000111.8A26 I29 E34 W37 C53 R54 N59 Y60 L61 R62A26-W57 HydrophobicContact CB-CZ3 4.13Å; I29-W57 HydrophobicContact CB-CH2 4.22Å; I29-W57 HydrophobicContact CB-CZ2 4.33Å; I29-W57 HydrophobicContact CB-CZ3 4.38Å; I29-W57 HydrophobicContact CD1-CB 4.29Å; I29-W57 HydrophobicContact CD1-CD2 3.49Å; I29-W57 VanDerWaalsContact CD1-CD2 3.49Å; I29-W57 HydrophobicContact CD1-CE3 3.6Å; I29-W57 HydrophobicContact CD1-CG 3.79Å; I29-W57 HydrophobicContact CD1-CZ2 4.47Å; I29-W57 HydrophobicContact CD1-CZ3 4.18Å; I29-W57 HydrophobicContact CG2-CD2 4.42Å; I29-W57 HydrophobicContact CG2-CH2 3.79Å; I29-W57 HydrophobicContact CG2-CZ2 3.47Å; I29-W57 VanDerWaalsContact CG2-CZ2 3.47Å; I29-W57 HydrophobicContact CG2-CZ3 4.38Å; E34-W57 PolarHBondContact OE1-NE1 3.27Å; W37-W57 HydrophobicContact CH2-CB 3.53Å; W37-W57 AromaticContact CH2-CD1 3.54Å; W37-W57 AromaticContact CH2-CG 3.62Å; W37-W57 HydrophobicContact CH2-CG 3.62Å; W37-W57 HydrophobicContact CZ2-CB 4.45Å; W37-W57 AromaticContact CZ2-CD1 3.83Å; W37-W57 HydrophobicContact CZ2-CG 4.35Å; W37-W57 HydrophobicContact CZ3-CB 4.11Å; C53-W57 WeakPolarHBondContact O-CB 3.43Å; C53-W57 PolarHBondContact O-N 2.98Å; R54-W57 PolarHBondContact O-N 3.43Å; W57-N59 VanDerWaalsContact C-N 3.27Å; W57-N59 PolarHBondContact O-N 3.02Å; W57-Y60 PolarHBondContact O-N 3.15Å; W57-L61 HydrophobicContact CD2-CB 4.47Å; W57-L61 HydrophobicContact CE3-CB 3.56Å; W57-L61 HydrophobicContact CE3-CD1 4.28Å; W57-L61 HydrophobicContact CZ3-CB 3.85Å; W57-L61 PolarHBondContact O-N 2.71Å; W57-L61 VanDerWaalsContact O-N 3.13Å; W57-R62 HydrophobicContact CD2-CB 4.45Å; W57-R62 HydrophobicContact CZ2-CB 4.39Å; W57-R62 HydrophobicContact CZ2-CG 4.03Å; W57-R62 WeakPolarHBondContact O-CB 3.09Å; W57-R62 PolarHBondContact O-N 3.49Å
58I94.2Very high92.5Very high58 Ų5865.4 Ų65.430%0.29732%0.323SS..Iπ-helixtrans-67.2-21.6-170.971.5-172.2000114.5R54R54-I58 HydrophobicContact CG-CD1 4.48Å; R54-I58 HydrophobicContact CG-CG2 4.39Å; R54-I58 WeakPolarHBondContact O-CG1 2.91Å; R54-I58 WeakPolarHBondContact O-CG2 3.45Å; R54-I58 PolarHBondContact O-N 3.43Å; R54-I58 VanDerWaalsContact O-N 3.1Å
59N94.2Very high92.5Very high10 Ų1072.1 Ų72.15%0.05336%0.36CS..Iπ-helixtrans-103.8-16.8-177.4-69.1-79.4000114.5L55 W57 N102L55-N59 WeakPolarHBondContact CD1-ND2 3.5Å; L55-N59 WeakPolarHBondContact O-CB 3.39Å; L55-N59 PolarHBondContact O-N 3.44Å; L55-N59 PolarHBondContact O-ND2 3.46Å; W57-N59 VanDerWaalsContact C-N 3.27Å; W57-N59 PolarHBondContact O-N 3.02Å; N59-N102 WeakPolarHBondContact OD1-CB 3.34Å
60Y93.9Very high92.6Very high115 Ų11571.7 Ų71.745%0.45136%0.355SS..Iπ-helixtrans-139.3-40.4-169.5-61.1-83.3000114.5R56 W57 R67R56-Y60 WeakPolarHBondContact O-CB 3.26Å; R56-Y60 PolarHBondContact O-N 3.49Å; R56-Y60 VanDerWaalsContact O-N 3.12Å; W57-Y60 PolarHBondContact O-N 3.15Å; Y60-R67 PolarHBondContact O-NH2 2.75Å
61L94.1Very high92.7Very high41 Ų4173.7 Ų73.722%0.21537%0.368CS..Iπ-helixtrans-99-27.9-169.8-56.4-179.1000113.9D22 L25 R56 W57 R67D22-L61 HydrophobicContact CB-CD1 4Å; D22-L61 HydrophobicContact CB-CD2 3.78Å; L25-L61 HydrophobicContact CB-CD1 4.29Å; L25-L61 HydrophobicContact CD2-CD1 3.75Å; L25-L61 HydrophobicContact CG-CD1 4.08Å; R56-L61 HydrophobicContact CG-CD1 3.94Å; R56-L61 HydrophobicContact CG-CG 4.19Å; R56-L61 PolarHBondContact O-N 3.4Å; W57-L61 HydrophobicContact CD2-CB 4.47Å; W57-L61 HydrophobicContact CE3-CB 3.56Å; W57-L61 HydrophobicContact CE3-CD1 4.28Å; W57-L61 HydrophobicContact CZ3-CB 3.85Å; W57-L61 PolarHBondContact O-N 2.71Å; W57-L61 VanDerWaalsContact O-N 3.13Å; L61-R67 PolarHBondContact O-NH2 3.32Å
62R92.7Very high92.7Very high96 Ų9674 Ų7436%0.36237%0.37SS..SBendtrans-59142-178-154.4173.5119.7133-1.6111.1E34 W57 D64 V65 R67E34-R62 IonicContact OE1-NH1 3.49Å; E34-R62 PolarHBondContact OE1-NH1 3.32Å; W57-R62 HydrophobicContact CD2-CB 4.45Å; W57-R62 HydrophobicContact CZ2-CB 4.39Å; W57-R62 HydrophobicContact CZ2-CG 4.03Å; W57-R62 WeakPolarHBondContact O-CB 3.09Å; W57-R62 PolarHBondContact O-N 3.49Å; R62-D64 VanDerWaalsContact C-N 3.27Å; R62-D64 WeakPolarHBondContact CB-OD1 3.42Å; R62-D64 WeakPolarHBondContact CD-OD1 3.32Å; R62-D64 WeakPolarHBondContact CG-OD1 3.15Å; R62-D64 IonicContact CZ-OD1 3.18Å; R62-D64 IonicContact CZ-OD2 3.1Å; R62-D64 VanDerWaalsContact CZ-OD2 3.24Å; R62-D64 VanDerWaalsContact NE-CG 3.29Å; R62-D64 IonicContact NE-OD1 3.9Å; R62-D64 PolarHBondContact NE-OD1 3.1Å; R62-D64 IonicContact NE-OD2 2.68Å; R62-D64 PolarHBondContact NE-OD2 3.01Å; R62-D64 IonicContact NH2-OD2 3.73Å; R62-D64 PolarHBondContact NH2-OD2 3.2Å; R62-D64 PolarHBondContact O-N 3.28Å; R62-V65 HydrophobicContact CB-CG2 4.28Å; R62-V65 PolarHBondContact O-N 2.82Å; R62-R67 PolarHBondContact O-NH2 2.84Å
63A90.4Very high92.8Very high94 Ų9479.8 Ų79.878%0.77739%0.393SS*.THydrogen-bonded Turntrans-64.2-31.3-168.100000113.6V65 R67A63-V65 PolarHBondContact O-N 3.2Å; A63-R67 PolarHBondContact O-NH1 2.9Å
64D89.4Confident92.8Very high78 Ų7881 Ų8142%0.41740%0.399SS..THydrogen-bonded Turntrans-75.2-15.5-177.656.6-17.3000114.9R62 K66 G98R62-D64 VanDerWaalsContact C-N 3.27Å; R62-D64 WeakPolarHBondContact CB-OD1 3.42Å; R62-D64 WeakPolarHBondContact CD-OD1 3.32Å; R62-D64 WeakPolarHBondContact CG-OD1 3.15Å; R62-D64 IonicContact CZ-OD1 3.18Å; R62-D64 IonicContact CZ-OD2 3.1Å; R62-D64 VanDerWaalsContact CZ-OD2 3.24Å; R62-D64 VanDerWaalsContact NE-CG 3.29Å; R62-D64 IonicContact NE-OD1 3.9Å; R62-D64 PolarHBondContact NE-OD1 3.1Å; R62-D64 IonicContact NE-OD2 2.68Å; R62-D64 PolarHBondContact NE-OD2 3.01Å; R62-D64 IonicContact NH2-OD2 3.73Å; R62-D64 PolarHBondContact NH2-OD2 3.2Å; R62-D64 PolarHBondContact O-N 3.28Å; D64-K66 PolarHBondContact O-N 2.77Å; D64-G98 WeakPolarHBondContact O-CA 3.39Å
65V91.4Very high92.7Very high9 Ų976 Ų766%0.05538%0.382CS..PPolyproline II helixtrans-71.2117.3179.1-179.30000110.6R62 A63 R67 T100R62-V65 HydrophobicContact CB-CG2 4.28Å; R62-V65 PolarHBondContact O-N 2.82Å; A63-V65 PolarHBondContact O-N 3.2Å; V65-R67 VanDerWaalsContact O-CD 3.3Å; V65-R67 WeakPolarHBondContact O-CD 3.29Å; V65-R67 PolarHBondContact O-N 2.93Å; V65-R67 PolarHBondContact O-NE 3.08Å; V65-R67 PolarHBondContact O-NH1 2.88Å; V65-T100 HydrophobicContact CG1-CG2 3.99Å; V65-T100 HydrophobicContact CG2-CG2 3.79Å
66K90.1Very high92.6Very high103 Ų10374.1 Ų74.145%0.44837%0.372SS..PPolyproline II helixtrans-80117.9178.1-73172.5174.8166.60110.9D64 P97 G98 R99D64-K66 PolarHBondContact O-N 2.77Å; K66-P97 VanDerWaalsContact CE-O 3.26Å; K66-P97 WeakPolarHBondContact CE-O 3.5Å; K66-P97 PolarHBondContact NZ-O 2.69Å; K66-G98 PolarHBondContact N-O 3.38Å; K66-R99 PolarHBondContact O-NH1 3.15Å
67R88.7Confident92.5Very high154 Ų15474.3 Ų74.358%0.58138%0.376SS*.PPolyproline II helixtrans-88.4117.3177.3-62.489.9-174.1165.90.5109.8Y60 L61 R62 A63 V65Y60-R67 PolarHBondContact O-NH2 2.75Å; L61-R67 PolarHBondContact O-NH2 3.32Å; R62-R67 PolarHBondContact O-NH2 2.84Å; A63-R67 PolarHBondContact O-NH1 2.9Å; V65-R67 VanDerWaalsContact O-CD 3.3Å; V65-R67 WeakPolarHBondContact O-CD 3.29Å; V65-R67 PolarHBondContact O-N 2.93Å; V65-R67 PolarHBondContact O-NE 3.08Å; V65-R67 PolarHBondContact O-NH1 2.88Å
68G89.3Confident92.4Very high51 Ų5172.9 Ų72.953%0.52637%0.371SS..SBendtrans151.4173.5176.800000112.8R99G68-R99 PolarHBondContact O-NH1 3.23Å
69N91.8Very high92.3Very high156 Ų15670.4 Ų70.483%0.83436%0.358SS*.PPolyproline II helixtrans-57149.7174.7-59.972000111.5R99N69-R99 PolarHBondContact O-NH2 3.15Å
70I92.7Very high92.2Very high25 Ų2572.5 Ų72.513%0.12837%0.367CS..PPolyproline II helixtrans-71.4134.7170.5-82159.3000108.9E74 E75 I78 Y107I70-E74 WeakPolarHBondContact CA-OE2 3.33Å; I70-E74 HydrophobicContact CG2-CB 3.82Å; I70-E75 HydrophobicContact CG2-CB 4.25Å; I70-I78 HydrophobicContact CD1-CD1 4.08Å; I70-I78 HydrophobicContact CG2-CD1 4.05Å; I70-Y107 HydrophobicContact CB-CD2 4.03Å; I70-Y107 HydrophobicContact CB-CE2 3.98Å; I70-Y107 HydrophobicContact CB-CG 4.35Å; I70-Y107 VanDerWaalsContact CD1-CB 3.45Å; I70-Y107 HydrophobicContact CD1-CD1 3.98Å; I70-Y107 HydrophobicContact CD1-CD2 3.74Å; I70-Y107 HydrophobicContact CD1-CG 3.43Å; I70-Y107 VanDerWaalsContact CD1-CG 3.43Å; I70-Y107 HydrophobicContact CG1-CD2 4.43Å; I70-Y107 HydrophobicContact CG1-CG 4.47Å; I70-Y107 HydrophobicContact CG2-CD1 4.23Å; I70-Y107 HydrophobicContact CG2-CD2 4.46Å; I70-Y107 HydrophobicContact CG2-CE1 3.95Å; I70-Y107 HydrophobicContact CG2-CE2 4.21Å; I70-Y107 HydrophobicContact CG2-CG 4.47Å
71S94.1Very high92.1Very high46 Ų4667 Ų6732%0.32235%0.345SS..PPolyproline II helixtrans-75.9163.7177.382.40000111E73 E74 E75S71-E73 VanDerWaalsContact C-N 3.28Å; S71-E73 PolarHBondContact O-N 2.84Å; S71-E73 PolarHBondContact OG-N 3.04Å; S71-E74 PolarHBondContact N-OE2 3.43Å; S71-E74 PolarHBondContact O-N 2.98Å; S71-E74 WeakPolarHBondContact OG-CG 3.21Å; S71-E74 PolarHBondContact OG-N 3.48Å; S71-E74 VanDerWaalsContact OG-N 3.1Å; S71-E75 WeakPolarHBondContact O-CB 3.38Å; S71-E75 PolarHBondContact O-N 2.76Å
72K92.1Very high92Very high169 Ų16966 Ų6674%0.73534%0.339SS*.Hα-helixtrans-62.3-36.6175.5-65.7-176.1178.5-178.20112.3E75 D76K72-E75 WeakPolarHBondContact O-CB 3.48Å; K72-E75 PolarHBondContact O-N 3.18Å; K72-D76 VanDerWaalsContact O-CG 3.31Å; K72-D76 PolarHBondContact O-N 3.23Å
73E93.7Very high91.8Very high152 Ų15263.9 Ų63.971%0.7134%0.342SS*.Hα-helixtrans-64.3-42.9174.9-61.2163.3-169.200111.5S71 I77S71-E73 VanDerWaalsContact C-N 3.28Å; S71-E73 PolarHBondContact O-N 2.84Å; S71-E73 PolarHBondContact OG-N 3.04Å; E73-I77 WeakPolarHBondContact O-CD1 3.43Å; E73-I77 VanDerWaalsContact O-CG1 3.3Å; E73-I77 WeakPolarHBondContact O-CG1 3.41Å; E73-I77 PolarHBondContact O-N 3.41Å; E73-I77 VanDerWaalsContact O-N 3.15Å
74E94.6Very high91.8Very high25 Ų2563.5 Ų63.512%0.11733%0.33CS..Hα-helixtrans-65.8-40.1174.4-69.9176.9133.600111.1I70 S71 I77 I78 L96 R99I70-E74 WeakPolarHBondContact CA-OE2 3.33Å; I70-E74 HydrophobicContact CG2-CB 3.82Å; S71-E74 PolarHBondContact N-OE2 3.43Å; S71-E74 PolarHBondContact O-N 2.98Å; S71-E74 WeakPolarHBondContact OG-CG 3.21Å; S71-E74 PolarHBondContact OG-N 3.48Å; S71-E74 VanDerWaalsContact OG-N 3.1Å; E74-I77 PolarHBondContact O-N 3.14Å; E74-I78 WeakPolarHBondContact O-CG1 3.43Å; E74-I78 PolarHBondContact O-N 2.85Å; E74-L96 HydrophobicContact CB-CD2 4.12Å; E74-L96 HydrophobicContact CG-CD2 4.06Å; E74-R99 WeakPolarHBondContact OE1-CG 3.35Å; E74-R99 IonicContact OE1-CZ 3.4Å; E74-R99 IonicContact OE1-NE 2.69Å; E74-R99 PolarHBondContact OE1-NE 3.36Å; E74-R99 IonicContact OE1-NH2 2.71Å; E74-R99 PolarHBondContact OE1-NH2 3.28Å; E74-R99 IonicContact OE2-CZ 2.79Å; E74-R99 IonicContact OE2-NE 3.24Å; E74-R99 PolarHBondContact OE2-NE 2.87Å; E74-R99 IonicContact OE2-NH2 3.61Å; E74-R99 PolarHBondContact OE2-NH2 3.05Å
75E93.6Very high91.9Very high34 Ų3460 Ų6016%0.15931%0.312CS..Hα-helixtrans-58-51173.6175-176156.400111.6I70 S71 K72 I77 I78 I79 Y107 L112 Y119I70-E75 HydrophobicContact CG2-CB 4.25Å; S71-E75 WeakPolarHBondContact O-CB 3.38Å; S71-E75 PolarHBondContact O-N 2.76Å; K72-E75 WeakPolarHBondContact O-CB 3.48Å; K72-E75 PolarHBondContact O-N 3.18Å; E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.07Å; E75-I78 WeakPolarHBondContact O-CB 3.14Å; E75-I78 PolarHBondContact O-N 3.39Å; E75-I78 VanDerWaalsContact O-N 3.13Å; E75-I79 HydrophobicContact CG-CD1 3.72Å; E75-I79 WeakPolarHBondContact O-CD1 3.4Å; E75-I79 VanDerWaalsContact O-CG1 3.26Å; E75-I79 WeakPolarHBondContact O-CG1 3.49Å; E75-I79 PolarHBondContact O-N 3.1Å; E75-Y107 HydrophobicContact CB-CE1 4.32Å; E75-Y107 HydrophobicContact CG-CE1 4.16Å; E75-Y107 PolarHBondContact OE2-OH 2.82Å; E75-L112 HydrophobicContact CG-CD2 3.93Å; E75-Y119 PolarHBondContact OE1-OH 3.48Å
76D92.4Very high91.8Very high60 Ų6059.6 Ų59.632%0.32131%0.31SS..Hα-helixtrans-57.1-42.4177.6-72.2-33.2000111.8K72 I79 K80 Y123K72-D76 VanDerWaalsContact O-CG 3.31Å; K72-D76 PolarHBondContact O-N 3.23Å; D76-I79 PolarHBondContact O-N 3.28Å; D76-K80 WeakPolarHBondContact O-CB 3.36Å; D76-K80 WeakPolarHBondContact O-CD 3.46Å; D76-K80 WeakPolarHBondContact O-CG 3.33Å; D76-K80 PolarHBondContact O-N 3.1Å; D76-Y123 PolarHBondContact OD1-OH 3.43Å
77I93.9Very high92Very high54 Ų5458.9 Ų58.928%0.27731%0.31SS..Hα-helixtrans-65.5-44.6176-67.9164.3000111.1E73 E74 E75 I79 K80 L81 L96 I132E73-I77 WeakPolarHBondContact O-CD1 3.43Å; E73-I77 VanDerWaalsContact O-CG1 3.3Å; E73-I77 WeakPolarHBondContact O-CG1 3.41Å; E73-I77 PolarHBondContact O-N 3.41Å; E73-I77 VanDerWaalsContact O-N 3.15Å; E74-I77 PolarHBondContact O-N 3.14Å; E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.07Å; I77-I79 VanDerWaalsContact C-N 3.27Å; I77-I79 PolarHBondContact O-N 2.79Å; I77-K80 PolarHBondContact O-N 2.82Å; I77-L81 HydrophobicContact CG2-CD1 3.66Å; I77-L81 HydrophobicContact CG2-CG 4.29Å; I77-L81 VanDerWaalsContact O-CB 3.28Å; I77-L81 WeakPolarHBondContact O-CB 3.5Å; I77-L81 WeakPolarHBondContact O-CG 3.42Å; I77-L81 PolarHBondContact O-N 3.07Å; I77-L96 HydrophobicContact CB-CD2 4.02Å; I77-L96 HydrophobicContact CD1-CD2 4.12Å; I77-L96 HydrophobicContact CG2-CD1 4.41Å; I77-L96 HydrophobicContact CG2-CD2 3.72Å; I77-L96 HydrophobicContact CG2-CG 4.06Å; I77-I132 HydrophobicContact CG2-CD1 4.46Å
78I93.8Very high92.2Very high1 Ų157 Ų571%0.00530%0.303CS..Hα-helixtrans-56.5-45176.8-70.6164.8000110I70 E74 E75 H82 L96 I104 Y107 W108 L112I70-I78 HydrophobicContact CD1-CD1 4.08Å; I70-I78 HydrophobicContact CG2-CD1 4.05Å; E74-I78 WeakPolarHBondContact O-CG1 3.43Å; E74-I78 PolarHBondContact O-N 2.85Å; E75-I78 WeakPolarHBondContact O-CB 3.14Å; E75-I78 PolarHBondContact O-N 3.39Å; E75-I78 VanDerWaalsContact O-N 3.13Å; I78-H82 WeakPolarHBondContact O-CB 3.46Å; I78-H82 PolarHBondContact O-N 2.89Å; I78-L96 HydrophobicContact CD1-CD1 4.17Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I78-I104 HydrophobicContact CB-CG2 4.49Å; I78-I104 HydrophobicContact CD1-CB 4.48Å; I78-I104 HydrophobicContact CD1-CG1 4.16Å; I78-I104 HydrophobicContact CD1-CG2 4.01Å; I78-I104 HydrophobicContact CG1-CG1 4.38Å; I78-I104 HydrophobicContact CG1-CG2 3.83Å; I78-I104 HydrophobicContact CG2-CG2 3.86Å; I78-Y107 HydrophobicContact CD1-CD1 4.25Å; I78-W108 HydrophobicContact CG2-CE3 4.21Å; I78-L112 HydrophobicContact CG2-CD1 3.9Å
79I91.8Very high92.5Very high6 Ų656.1 Ų56.13%0.03128%0.284CS..Hα-helixtrans-71.7-46.2-175.8-59155.5000111.4E75 D76 I77 L81 H82 A83 W108 L112 Y119 Y123E75-I79 HydrophobicContact CG-CD1 3.72Å; E75-I79 WeakPolarHBondContact O-CD1 3.4Å; E75-I79 VanDerWaalsContact O-CG1 3.26Å; E75-I79 WeakPolarHBondContact O-CG1 3.49Å; E75-I79 PolarHBondContact O-N 3.1Å; D76-I79 PolarHBondContact O-N 3.28Å; I77-I79 VanDerWaalsContact C-N 3.27Å; I77-I79 PolarHBondContact O-N 2.79Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 2.83Å; I79-H82 PolarHBondContact O-N 2.7Å; I79-A83 WeakPolarHBondContact O-CB 3.22Å; I79-A83 PolarHBondContact O-N 2.96Å; I79-W108 HydrophobicContact CG1-CZ3 4.38Å; I79-L112 HydrophobicContact CD1-CD1 4.42Å; I79-L112 HydrophobicContact CD1-CD2 4.15Å; I79-L112 HydrophobicContact CG1-CD1 3.81Å; I79-L112 HydrophobicContact CG1-CD2 4.38Å; I79-Y119 HydrophobicContact CD1-CD1 3.58Å; I79-Y119 HydrophobicContact CD1-CD2 4.2Å; I79-Y119 HydrophobicContact CD1-CE1 3.5Å; I79-Y119 VanDerWaalsContact CD1-CE1 3.5Å; I79-Y119 HydrophobicContact CD1-CE2 4.16Å; I79-Y119 HydrophobicContact CD1-CG 3.93Å; I79-Y119 HydrophobicContact CG2-CG 4.28Å; I79-Y123 HydrophobicContact CB-CD2 4.19Å; I79-Y123 HydrophobicContact CB-CE2 3.79Å; I79-Y123 HydrophobicContact CD1-CE2 3.91Å; I79-Y123 HydrophobicContact CG1-CE2 4.45Å; I79-Y123 HydrophobicContact CG2-CD2 3.36Å; I79-Y123 HydrophobicContact CG2-CE2 3.34Å; I79-Y123 HydrophobicContact CG2-CG 4.39Å
80K91.3Very high92.7Very high53 Ų5353 Ų5323%0.2328%0.275CS..Hα-helixtrans-58.7-43176.5-71168.9-175.1-174.50111.8D76 I77 T84 Y123 T130 I132D76-K80 WeakPolarHBondContact O-CB 3.36Å; D76-K80 WeakPolarHBondContact O-CD 3.46Å; D76-K80 WeakPolarHBondContact O-CG 3.33Å; D76-K80 PolarHBondContact O-N 3.1Å; I77-K80 PolarHBondContact O-N 2.82Å; K80-T84 PolarHBondContact O-N 3.28Å; K80-T84 PolarHBondContact O-OG1 3.02Å; K80-Y123 HydrophobicContact CD-CD1 4.25Å; K80-Y123 HydrophobicContact CD-CE1 4.32Å; K80-Y123 VanDerWaalsContact CE-CD1 3.49Å; K80-Y123 HydrophobicContact CG-CD1 3.66Å; K80-Y123 HydrophobicContact CG-CE1 4Å; K80-Y123 HydrophobicContact CG-CG 4.22Å; K80-T130 WeakPolarHBondContact CD-OG1 3.38Å; K80-T130 WeakPolarHBondContact CE-OG1 3.09Å; K80-T130 VanDerWaalsContact NZ-CG2 3.28Å; K80-T130 PolarHBondContact NZ-OG1 3.02Å; K80-I132 HydrophobicContact CB-CD1 4.17Å
81L92.7Very high92.7Very high1 Ų152.9 Ų52.91%0.00527%0.274CS..Hα-helixtrans-73-32.5176.1-70.7176.8000112.6I77 I79 T84 L85 I92 H95 I132 I134I77-L81 HydrophobicContact CG2-CD1 3.66Å; I77-L81 HydrophobicContact CG2-CG 4.29Å; I77-L81 VanDerWaalsContact O-CB 3.28Å; I77-L81 WeakPolarHBondContact O-CB 3.5Å; I77-L81 WeakPolarHBondContact O-CG 3.42Å; I77-L81 PolarHBondContact O-N 3.07Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 2.83Å; L81-T84 PolarHBondContact O-N 3Å; L81-T84 PolarHBondContact O-OG1 2.82Å; L81-L85 HydrophobicContact CB-CD1 4.4Å; L81-L85 HydrophobicContact CD2-CD1 4.12Å; L81-L85 WeakPolarHBondContact O-CA 3.45Å; L81-L85 WeakPolarHBondContact O-CB 3.35Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 3.36Å; L81-I92 HydrophobicContact CB-CD1 4.45Å; L81-I92 HydrophobicContact CB-CG1 4.09Å; L81-I92 HydrophobicContact CB-CG2 4.08Å; L81-I92 HydrophobicContact CD1-CG2 4.07Å; L81-H95 HydrophobicContact CD1-CB 3.55Å; L81-I132 HydrophobicContact CD2-CD1 4.22Å; L81-I132 HydrophobicContact CD2-CG2 4.03Å; L81-I132 HydrophobicContact CG-CD1 4.12Å; L81-I134 HydrophobicContact CD2-CD1 3.7Å; L81-I134 HydrophobicContact CD2-CG1 3.93Å
82H92.1Very high92.8Very high19 Ų1950.7 Ų50.79%0.08826%0.259CS..Hα-helixtrans-69.6-39.7175-173.1-84.4000112I78 I79 T84 L85 G86 N87 W89 I92 W108I78-H82 WeakPolarHBondContact O-CB 3.46Å; I78-H82 PolarHBondContact O-N 2.89Å; I79-H82 PolarHBondContact O-N 2.7Å; H82-T84 PolarHBondContact O-N 3.36Å; H82-L85 PolarHBondContact O-N 3.46Å; H82-G86 PolarHBondContact CD2-O 2.9Å; H82-G86 WeakPolarHBondContact O-CA 3.28Å; H82-G86 PolarHBondContact O-N 3.09Å; H82-N87 PolarHBondContact NE2-OD1 3.32Å; H82-W89 AromaticContact CD2-CH2 3.41Å; H82-W89 VanDerWaalsContact CD2-CH2 3.41Å; H82-W89 WeakPolarHBondContact CD2-CH2 3.2Å; H82-W89 AromaticContact CD2-CZ3 3.77Å; H82-W89 AromaticContact NE2-CH2 3.76Å; H82-I92 HydrophobicContact CB-CD1 4.33Å; H82-W108 HydrophobicContact CB-CE3 4.2Å; H82-W108 HydrophobicContact CB-CH2 4.1Å; H82-W108 HydrophobicContact CB-CZ3 3.74Å; H82-W108 AromaticContact CE1-CE2 3.75Å; H82-W108 AromaticContact CE1-CH2 3.67Å; H82-W108 AromaticContact CE1-CZ2 3.3Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.21Å; H82-W108 AromaticContact CG-CE3 3.98Å; H82-W108 AromaticContact CG-CH2 3.59Å; H82-W108 AromaticContact CG-CZ2 3.91Å; H82-W108 AromaticContact CG-CZ3 3.62Å; H82-W108 AromaticContact ND1-CH2 3.2Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.41Å; H82-W108 AromaticContact ND1-CZ2 3.38Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.48Å; H82-W108 AromaticContact ND1-CZ3 3.76Å; H82-W108 AromaticContact NE2-CE2 3.76Å; H82-W108 AromaticContact NE2-CZ2 3.8Å
83A88.7Confident92.9Very high51 Ų5143.6 Ų43.642%0.42123%0.232SC..Hα-helixtrans-59.2-31.417600000113.1I79I79-A83 WeakPolarHBondContact O-CB 3.22Å; I79-A83 PolarHBondContact O-N 2.96Å
84T89.5Confident92.9Very high86 Ų8640.1 Ų40.153%0.52822%0.224SC..Hα-helixtrans-97.9-30.9-179.649.80000113.8K80 L81 H82 I134K80-T84 PolarHBondContact O-N 3.28Å; K80-T84 PolarHBondContact O-OG1 3.02Å; L81-T84 PolarHBondContact O-N 3Å; L81-T84 PolarHBondContact O-OG1 2.82Å; H82-T84 PolarHBondContact O-N 3.36Å; T84-I134 WeakPolarHBondContact OG1-CD1 3.33Å
85L91Very high92.9Very high5 Ų541.8 Ų41.83%0.02623%0.232CC..Hα-helixtrans-110.3-11.5-173.8-57.8178000114.8L81 H82 R88 L91 I92 I134 L139L81-L85 HydrophobicContact CB-CD1 4.4Å; L81-L85 HydrophobicContact CD2-CD1 4.12Å; L81-L85 WeakPolarHBondContact O-CA 3.45Å; L81-L85 WeakPolarHBondContact O-CB 3.35Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 3.36Å; H82-L85 PolarHBondContact O-N 3.46Å; L85-R88 HydrophobicContact CB-CB 4.31Å; L85-R88 WeakPolarHBondContact O-CG 3.46Å; L85-R88 PolarHBondContact O-NE 3.3Å; L85-R88 PolarHBondContact O-NH2 2.83Å; L85-L91 HydrophobicContact CD1-CD2 3.87Å; L85-L91 HydrophobicContact CD1-CG 4Å; L85-L91 HydrophobicContact CD2-CD2 4.09Å; L85-I92 HydrophobicContact CD1-CG1 4.23Å; L85-I134 HydrophobicContact CD1-CD1 4.29Å; L85-I134 HydrophobicContact CD2-CD1 4.15Å; L85-I134 HydrophobicContact CD2-CG2 4.22Å; L85-I134 HydrophobicContact CG-CD1 4.1Å; L85-L139 HydrophobicContact CD2-CD2 4.06Å
86G90.5Very high92.9Very high1 Ų140.3 Ų40.31%0.0123%0.225CC..  trans56-146.7-170.200000112.7H82 R88 W276H82-G86 PolarHBondContact CD2-O 2.9Å; H82-G86 WeakPolarHBondContact O-CA 3.28Å; H82-G86 PolarHBondContact O-N 3.09Å; G86-R88 PolarHBondContact O-N 3.01Å; G86-W276 VanDerWaalsContact CA-CH2 3.41Å
87N93.1Very high92.8Very high87 Ų8742.2 Ų42.247%0.46524%0.241SC..SBendtrans-72.628.8-175.1-64-31.9000115H82 W89H82-N87 PolarHBondContact NE2-OD1 3.32Å; N87-W89 HydrophobicContact CB-CZ2 4.11Å; N87-W89 VanDerWaalsContact O-CD1 3.27Å; N87-W89 PolarHBondContact O-N 3.44Å; N87-W89 PolarHBondContact O-NE1 3.09Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.32Å
88R94.1Very high92.7Very high115 Ų11540.7 Ų40.743%0.43424%0.238SC..  trans-81.855.5178.5-71.5-173.2-84.3-1295.7111.9L85 G86 S90 L91 I92L85-R88 HydrophobicContact CB-CB 4.31Å; L85-R88 WeakPolarHBondContact O-CG 3.46Å; L85-R88 PolarHBondContact O-NE 3.3Å; L85-R88 PolarHBondContact O-NH2 2.83Å; G86-R88 PolarHBondContact O-N 3.01Å; R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 3.11Å; R88-S90 VanDerWaalsContact O-N 3.1Å; R88-L91 HydrophobicContact CB-CB 4.27Å; R88-L91 WeakPolarHBondContact O-CA 3.46Å; R88-L91 WeakPolarHBondContact O-CB 3.41Å; R88-L91 PolarHBondContact O-N 3.19Å; R88-I92 PolarHBondContact O-N 3.27Å; R88-I92 VanDerWaalsContact O-N 3.11Å
89W96.1Very high92.8Very high32 Ų3241.8 Ų41.812%0.12124%0.242CC..Hα-helixtrans-49.8-40.2-171.2-53.3118.4000115.5H82 N87 L91 I92 A93 D101 I104 K105 W108H82-W89 AromaticContact CD2-CH2 3.41Å; H82-W89 VanDerWaalsContact CD2-CH2 3.41Å; H82-W89 WeakPolarHBondContact CD2-CH2 3.2Å; H82-W89 AromaticContact CD2-CZ3 3.77Å; H82-W89 AromaticContact NE2-CH2 3.76Å; N87-W89 HydrophobicContact CB-CZ2 4.11Å; N87-W89 VanDerWaalsContact O-CD1 3.27Å; N87-W89 PolarHBondContact O-N 3.44Å; N87-W89 PolarHBondContact O-NE1 3.09Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.32Å; W89-L91 VanDerWaalsContact C-N 3.27Å; W89-L91 PolarHBondContact O-N 3.31Å; W89-I92 HydrophobicContact CE3-CD1 4Å; W89-I92 HydrophobicContact CZ3-CD1 4.12Å; W89-I92 PolarHBondContact O-N 2.6Å; W89-A93 WeakPolarHBondContact O-CB 3.45Å; W89-A93 PolarHBondContact O-N 2.89Å; W89-D101 HydrophobicContact CB-CB 3.92Å; W89-I104 HydrophobicContact CE3-CG2 3.72Å; W89-I104 HydrophobicContact CZ3-CG2 3.95Å; W89-K105 HydrophobicContact CD2-CB 3.75Å; W89-K105 HydrophobicContact CD2-CG 4.31Å; W89-K105 HydrophobicContact CE3-CB 4.34Å; W89-K105 HydrophobicContact CG-CB 3.83Å; W89-K105 HydrophobicContact CG-CG 4.36Å; W89-K105 HydrophobicContact CZ2-CB 4.48Å; W89-K105 HydrophobicContact CZ2-CG 4.42Å; W89-W108 HydrophobicContact CH2-CB 3.61Å; W89-W108 AromaticContact CH2-CD1 3.7Å; W89-W108 AromaticContact CH2-CD2 3.91Å; W89-W108 HydrophobicContact CH2-CD2 3.91Å; W89-W108 AromaticContact CH2-CG 3.43Å; W89-W108 HydrophobicContact CH2-CG 3.43Å; W89-W108 VanDerWaalsContact CH2-CG 3.43Å; W89-W108 HydrophobicContact CZ2-CB 4.43Å; W89-W108 HydrophobicContact CZ2-CG 4.23Å; W89-W108 HydrophobicContact CZ3-CB 4.03Å; W89-W108 HydrophobicContact CZ3-CG 4.2Å
90S94.4Very high92.9Very high91 Ų9142.2 Ų42.264%0.63625%0.245SC*.Hα-helixtrans-67.9-25.3178.158.30000113.8R88R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 3.11Å; R88-S90 VanDerWaalsContact O-N 3.1Å
91L94.1Very high93.1Very high23 Ų2342.7 Ų42.712%0.1225%0.25CS..Hα-helixtrans-82-43.5173.9-172.860.1000110.1L85 R88 W89 A93 S94 H95 K138 L139L85-L91 HydrophobicContact CD1-CD2 3.87Å; L85-L91 HydrophobicContact CD1-CG 4Å; L85-L91 HydrophobicContact CD2-CD2 4.09Å; R88-L91 HydrophobicContact CB-CB 4.27Å; R88-L91 WeakPolarHBondContact O-CA 3.46Å; R88-L91 WeakPolarHBondContact O-CB 3.41Å; R88-L91 PolarHBondContact O-N 3.19Å; W89-L91 VanDerWaalsContact C-N 3.27Å; W89-L91 PolarHBondContact O-N 3.31Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.36Å; L91-S94 WeakPolarHBondContact O-CB 3.3Å; L91-S94 PolarHBondContact O-N 2.58Å; L91-S94 PolarHBondContact O-OG 3.23Å; L91-H95 PolarHBondContact O-CD2 3.13Å; L91-K138 HydrophobicContact CD1-CB 4.24Å; L91-L139 HydrophobicContact CD2-CD2 3.43Å; L91-L139 VanDerWaalsContact CD2-CD2 3.43Å; L91-L139 HydrophobicContact CD2-CG 4.23Å
92I95.4Very high93.2Very high0 Ų044.2 Ų44.20%026%0.258CS..Hα-helixtrans-57.4-44.2174.1-57.5179.6000110.8L81 H82 L85 R88 W89 S94 H95 L96 I104L81-I92 HydrophobicContact CB-CD1 4.45Å; L81-I92 HydrophobicContact CB-CG1 4.09Å; L81-I92 HydrophobicContact CB-CG2 4.08Å; L81-I92 HydrophobicContact CD1-CG2 4.07Å; H82-I92 HydrophobicContact CB-CD1 4.33Å; L85-I92 HydrophobicContact CD1-CG1 4.23Å; R88-I92 PolarHBondContact O-N 3.27Å; R88-I92 VanDerWaalsContact O-N 3.11Å; W89-I92 HydrophobicContact CE3-CD1 4Å; W89-I92 HydrophobicContact CZ3-CD1 4.12Å; W89-I92 PolarHBondContact O-N 2.6Å; I92-S94 PolarHBondContact O-N 2.89Å; I92-H95 PolarHBondContact O-N 2.96Å; I92-L96 HydrophobicContact CG2-CD1 4.21Å; I92-I104 HydrophobicContact CG2-CD1 4.44Å; I92-I104 HydrophobicContact CG2-CG2 4.07Å
93A94.8Very high93.3Very high19 Ų1945.4 Ų45.416%0.15726%0.264CS..G310 helixtrans-58.1-27.9175.500000113.9W89 L91 H95 L96 D101 I104W89-A93 WeakPolarHBondContact O-CB 3.45Å; W89-A93 PolarHBondContact O-N 2.89Å; L91-A93 VanDerWaalsContact C-N 3.3Å; L91-A93 PolarHBondContact O-N 3.36Å; A93-H95 PolarHBondContact O-N 3.34Å; A93-L96 PolarHBondContact O-N 3.31Å; A93-L96 VanDerWaalsContact O-N 3.15Å; A93-D101 HydrophobicContact CB-CB 4.16Å; A93-I104 VanDerWaalsContact CA-CD1 3.48Å; A93-I104 HydrophobicContact CB-CD1 3.73Å
94S93.7Very high93.6Very high79 Ų7943 Ų4355%0.55224%0.244SC*.G310 helixtrans-69.5-16.9177.976.40000113.8L91 I92L91-S94 WeakPolarHBondContact O-CB 3.3Å; L91-S94 PolarHBondContact O-N 2.58Å; L91-S94 PolarHBondContact O-OG 3.23Å; I92-S94 PolarHBondContact O-N 2.89Å
95H93.3Very high93.9Very high61 Ų6141.6 Ų41.628%0.28223%0.23SC..G310 helixtrans-93.3-6.2173.7-65.6-92.2000113.4L81 L91 I92 A93 P97L81-H95 HydrophobicContact CD1-CB 3.55Å; L91-H95 PolarHBondContact O-CD2 3.13Å; I92-H95 PolarHBondContact O-N 2.96Å; A93-H95 PolarHBondContact O-N 3.34Å; H95-P97 WeakPolarHBondContact O-CD 3.43Å
96L93.6Very high94Very high3 Ų344.7 Ų44.72%0.01625%0.247CC..SBendtrans-120.485.8-173.3-70.6166.6000110.3E74 I77 I78 I92 A93 G98 R99 I104E74-L96 HydrophobicContact CB-CD2 4.12Å; E74-L96 HydrophobicContact CG-CD2 4.06Å; I77-L96 HydrophobicContact CB-CD2 4.02Å; I77-L96 HydrophobicContact CD1-CD2 4.12Å; I77-L96 HydrophobicContact CG2-CD1 4.41Å; I77-L96 HydrophobicContact CG2-CD2 3.72Å; I77-L96 HydrophobicContact CG2-CG 4.06Å; I78-L96 HydrophobicContact CD1-CD1 4.17Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I92-L96 HydrophobicContact CG2-CD1 4.21Å; A93-L96 PolarHBondContact O-N 3.31Å; A93-L96 VanDerWaalsContact O-N 3.15Å; L96-G98 PolarHBondContact O-N 2.9Å; L96-G98 VanDerWaalsContact O-N 3.1Å; L96-R99 HydrophobicContact CB-CB 3.96Å; L96-R99 HydrophobicContact CB-CG 4.21Å; L96-R99 PolarHBondContact O-N 3.38Å; L96-I104 HydrophobicContact CB-CD1 4.42Å; L96-I104 HydrophobicContact CD1-CD1 3.67Å; L96-I104 HydrophobicContact CD1-CG1 4.06Å
97P91.6Very high94.2Very high100 Ų10046.4 Ų46.465%0.64925%0.253SS*.THydrogen-bonded Turntrans-62.6116.6-169.423.6-33.5000111.9K66 H95K66-P97 VanDerWaalsContact CE-O 3.26Å; K66-P97 WeakPolarHBondContact CE-O 3.5Å; K66-P97 PolarHBondContact NZ-O 2.69Å; H95-P97 WeakPolarHBondContact O-CD 3.43Å
98G91.6Very high94.3Very high21 Ų2143.2 Ų43.222%0.21624%0.235CC..THydrogen-bonded Turntrans88.56-178.400000115.2D64 K66 L96D64-G98 WeakPolarHBondContact O-CA 3.39Å; K66-G98 PolarHBondContact N-O 3.38Å; L96-G98 PolarHBondContact O-N 2.9Å; L96-G98 VanDerWaalsContact O-N 3.1Å
99R94.7Very high94.2Very high25 Ų2542.3 Ų42.39%0.09424%0.239CC..  trans-100.8142.1168-61.6-56.7-174.2165.27.5111.1K66 G68 N69 E74 L96 I104K66-R99 PolarHBondContact O-NH1 3.15Å; G68-R99 PolarHBondContact O-NH1 3.23Å; N69-R99 PolarHBondContact O-NH2 3.15Å; E74-R99 WeakPolarHBondContact OE1-CG 3.35Å; E74-R99 IonicContact OE1-CZ 3.4Å; E74-R99 IonicContact OE1-NE 2.69Å; E74-R99 PolarHBondContact OE1-NE 3.36Å; E74-R99 IonicContact OE1-NH2 2.71Å; E74-R99 PolarHBondContact OE1-NH2 3.28Å; E74-R99 IonicContact OE2-CZ 2.79Å; E74-R99 IonicContact OE2-NE 3.24Å; E74-R99 PolarHBondContact OE2-NE 2.87Å; E74-R99 IonicContact OE2-NH2 3.61Å; E74-R99 PolarHBondContact OE2-NH2 3.05Å; L96-R99 HydrophobicContact CB-CB 3.96Å; L96-R99 HydrophobicContact CB-CG 4.21Å; L96-R99 PolarHBondContact O-N 3.38Å; R99-I104 HydrophobicContact CB-CD1 4.18Å; R99-I104 HydrophobicContact CB-CG1 4.32Å
100T95.1Very high93.9Very high14 Ų1443.9 Ų43.99%0.08625%0.254CS..  trans-92.5152.9178.463.30000111.3V65 N102 E103 I104V65-T100 HydrophobicContact CG1-CG2 3.99Å; V65-T100 HydrophobicContact CG2-CG2 3.79Å; T100-N102 PolarHBondContact O-N 3.17Å; T100-E103 WeakPolarHBondContact CB-OE2 3.26Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.3Å; T100-E103 PolarHBondContact N-OE2 2.95Å; T100-E103 PolarHBondContact O-N 3.38Å; T100-E103 VanDerWaalsContact O-N 3.14Å; T100-E103 WeakPolarHBondContact OG1-CB 3.31Å; T100-E103 VanDerWaalsContact OG1-CD 3.3Å; T100-E103 WeakPolarHBondContact OG1-CG 3.4Å; T100-E103 PolarHBondContact OG1-N 3.14Å; T100-E103 PolarHBondContact OG1-OE2 3.07Å; T100-I104 WeakPolarHBondContact O-CD1 3.19Å; T100-I104 WeakPolarHBondContact O-CG1 3.5Å; T100-I104 PolarHBondContact O-N 3.01Å; T100-I104 VanDerWaalsContact O-N 3.11Å
101D94.9Very high93.7Very high64 Ų6444 Ų4434%0.34225%0.245SC..Hα-helixtrans-57.5-33.1173.670.5-53.5000111.7W89 A93 K105W89-D101 HydrophobicContact CB-CB 3.92Å; A93-D101 HydrophobicContact CB-CB 4.16Å; D101-K105 VanDerWaalsContact O-CB 3.22Å; D101-K105 WeakPolarHBondContact O-CB 3.2Å; D101-K105 PolarHBondContact O-N 2.9Å; D101-K105 VanDerWaalsContact O-N 3.09Å
102N94.7Very high93.4Very high33 Ų3342.9 Ų42.918%0.17624%0.239CC..Hα-helixtrans-69.1-41.4176.2-175.474.1000113.2N59 T100 K105 N106N59-N102 WeakPolarHBondContact OD1-CB 3.34Å; T100-N102 PolarHBondContact O-N 3.17Å; N102-K105 PolarHBondContact OD1-NZ 3.01Å; N102-N106 VanDerWaalsContact O-CB 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.22Å; N102-N106 PolarHBondContact O-N 3.2Å; N102-N106 PolarHBondContact O-ND2 3.01Å; N102-N106 PolarHBondContact O-OD1 3.49Å
103E94.6Very high92.7Very high43 Ų4344.3 Ų44.320%0.20125%0.249CC..Hα-helixtrans-64-48175.1-75.7164.412500111.5T100 K105 N106 Y107T100-E103 WeakPolarHBondContact CB-OE2 3.26Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.3Å; T100-E103 PolarHBondContact N-OE2 2.95Å; T100-E103 PolarHBondContact O-N 3.38Å; T100-E103 VanDerWaalsContact O-N 3.14Å; T100-E103 WeakPolarHBondContact OG1-CB 3.31Å; T100-E103 VanDerWaalsContact OG1-CD 3.3Å; T100-E103 WeakPolarHBondContact OG1-CG 3.4Å; T100-E103 PolarHBondContact OG1-N 3.14Å; T100-E103 PolarHBondContact OG1-OE2 3.07Å; E103-K105 PolarHBondContact O-N 3.49Å; E103-N106 PolarHBondContact O-N 2.85Å; E103-Y107 WeakPolarHBondContact O-CB 3.43Å; E103-Y107 PolarHBondContact O-N 3.43Å
104I95.4Very high91.9Very high0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-60.6-48.6-178.8-65.3157.9000110.7I78 W89 I92 A93 L96 R99 T100 N106 Y107 W108I78-I104 HydrophobicContact CB-CG2 4.49Å; I78-I104 HydrophobicContact CD1-CB 4.48Å; I78-I104 HydrophobicContact CD1-CG1 4.16Å; I78-I104 HydrophobicContact CD1-CG2 4.01Å; I78-I104 HydrophobicContact CG1-CG1 4.38Å; I78-I104 HydrophobicContact CG1-CG2 3.83Å; I78-I104 HydrophobicContact CG2-CG2 3.86Å; W89-I104 HydrophobicContact CE3-CG2 3.72Å; W89-I104 HydrophobicContact CZ3-CG2 3.95Å; I92-I104 HydrophobicContact CG2-CD1 4.44Å; I92-I104 HydrophobicContact CG2-CG2 4.07Å; A93-I104 VanDerWaalsContact CA-CD1 3.48Å; A93-I104 HydrophobicContact CB-CD1 3.73Å; L96-I104 HydrophobicContact CB-CD1 4.42Å; L96-I104 HydrophobicContact CD1-CD1 3.67Å; L96-I104 HydrophobicContact CD1-CG1 4.06Å; R99-I104 HydrophobicContact CB-CD1 4.18Å; R99-I104 HydrophobicContact CB-CG1 4.32Å; T100-I104 WeakPolarHBondContact O-CD1 3.19Å; T100-I104 WeakPolarHBondContact O-CG1 3.5Å; T100-I104 PolarHBondContact O-N 3.01Å; T100-I104 VanDerWaalsContact O-N 3.11Å; I104-N106 PolarHBondContact O-N 3.47Å; I104-Y107 PolarHBondContact O-N 3.37Å; I104-W108 WeakPolarHBondContact O-CB 3.38Å; I104-W108 PolarHBondContact O-N 3.1Å
105K94.9Very high91.1Very high57 Ų5753.4 Ų53.425%0.24827%0.271CS..Hα-helixtrans-57.6-45.4174.4175.1-162.572.1-146.70112.3W89 D101 N102 E103 N109W89-K105 HydrophobicContact CD2-CB 3.75Å; W89-K105 HydrophobicContact CD2-CG 4.31Å; W89-K105 HydrophobicContact CE3-CB 4.34Å; W89-K105 HydrophobicContact CG-CB 3.83Å; W89-K105 HydrophobicContact CG-CG 4.36Å; W89-K105 HydrophobicContact CZ2-CB 4.48Å; W89-K105 HydrophobicContact CZ2-CG 4.42Å; D101-K105 VanDerWaalsContact O-CB 3.22Å; D101-K105 WeakPolarHBondContact O-CB 3.2Å; D101-K105 PolarHBondContact O-N 2.9Å; D101-K105 VanDerWaalsContact O-N 3.09Å; N102-K105 PolarHBondContact OD1-NZ 3.01Å; E103-K105 PolarHBondContact O-N 3.49Å; K105-N109 WeakPolarHBondContact O-CB 3.43Å; K105-N109 VanDerWaalsContact O-CG 3.25Å; K105-N109 PolarHBondContact O-N 2.85Å
106N94.5Very high90.1Very high71 Ų7152.8 Ų52.838%0.3827%0.269SS..Hα-helixtrans-65.1-42.8179.9-73.6-2.7000110.9N102 E103 I104 N109 S110N102-N106 VanDerWaalsContact O-CB 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.22Å; N102-N106 PolarHBondContact O-N 3.2Å; N102-N106 PolarHBondContact O-ND2 3.01Å; N102-N106 PolarHBondContact O-OD1 3.49Å; E103-N106 PolarHBondContact O-N 2.85Å; I104-N106 PolarHBondContact O-N 3.47Å; N106-N109 PolarHBondContact O-N 3.11Å; N106-S110 WeakPolarHBondContact O-CB 3.19Å; N106-S110 PolarHBondContact O-N 2.96Å; N106-S110 PolarHBondContact O-OG 3.48Å; N106-S110 VanDerWaalsContact O-OG 3.07Å
107Y94Very high88.9Confident36 Ų3659.9 Ų59.914%0.14130%0.302CS..Hα-helixtrans-62.7-45.8178-176.3-96.6000111.8I70 E75 I78 E103 I104 S110 H111 L112I70-Y107 HydrophobicContact CB-CD2 4.03Å; I70-Y107 HydrophobicContact CB-CE2 3.98Å; I70-Y107 HydrophobicContact CB-CG 4.35Å; I70-Y107 VanDerWaalsContact CD1-CB 3.45Å; I70-Y107 HydrophobicContact CD1-CD1 3.98Å; I70-Y107 HydrophobicContact CD1-CD2 3.74Å; I70-Y107 HydrophobicContact CD1-CG 3.43Å; I70-Y107 VanDerWaalsContact CD1-CG 3.43Å; I70-Y107 HydrophobicContact CG1-CD2 4.43Å; I70-Y107 HydrophobicContact CG1-CG 4.47Å; I70-Y107 HydrophobicContact CG2-CD1 4.23Å; I70-Y107 HydrophobicContact CG2-CD2 4.46Å; I70-Y107 HydrophobicContact CG2-CE1 3.95Å; I70-Y107 HydrophobicContact CG2-CE2 4.21Å; I70-Y107 HydrophobicContact CG2-CG 4.47Å; E75-Y107 HydrophobicContact CB-CE1 4.32Å; E75-Y107 HydrophobicContact CG-CE1 4.16Å; E75-Y107 PolarHBondContact OE2-OH 2.82Å; I78-Y107 HydrophobicContact CD1-CD1 4.25Å; E103-Y107 WeakPolarHBondContact O-CB 3.43Å; E103-Y107 PolarHBondContact O-N 3.43Å; I104-Y107 PolarHBondContact O-N 3.37Å; Y107-S110 PolarHBondContact O-N 3.42Å; Y107-H111 AromaticContact CD2-CE1 3.78Å; Y107-H111 AromaticContact CD2-ND1 3.32Å; Y107-H111 VanDerWaalsContact CD2-ND1 3.32Å; Y107-H111 WeakPolarHBondContact CD2-ND1 3.46Å; Y107-H111 HydrophobicContact CE1-CB 4.48Å; Y107-H111 HydrophobicContact CE2-CB 4.29Å; Y107-H111 AromaticContact CE2-CE1 3.94Å; Y107-H111 AromaticContact CE2-CG 3.82Å; Y107-H111 AromaticContact CE2-ND1 3.5Å; Y107-H111 WeakPolarHBondContact CE2-ND1 3.33Å; Y107-H111 AromaticContact CG-ND1 3.93Å; Y107-H111 WeakPolarHBondContact O-CB 3.38Å; Y107-H111 PolarHBondContact O-N 3.1Å; Y107-H111 PolarHBondContact O-ND1 3.31Å; Y107-L112 HydrophobicContact CD1-CD1 3.82Å; Y107-L112 HydrophobicContact CD1-CG 4.05Å; Y107-L112 HydrophobicContact CE1-CD1 3.75Å; Y107-L112 HydrophobicContact CE1-CD2 3.89Å; Y107-L112 HydrophobicContact CE1-CG 3.78Å
108W94.2Very high88.2Confident20 Ų2058.8 Ų58.88%0.07629%0.293CS..Hα-helixtrans-54-54.2172.4-179.8-90.1000111.5I78 I79 H82 W89 I104 S110 L112 S113 I116I78-W108 HydrophobicContact CG2-CE3 4.21Å; I79-W108 HydrophobicContact CG1-CZ3 4.38Å; H82-W108 HydrophobicContact CB-CE3 4.2Å; H82-W108 HydrophobicContact CB-CH2 4.1Å; H82-W108 HydrophobicContact CB-CZ3 3.74Å; H82-W108 AromaticContact CE1-CE2 3.75Å; H82-W108 AromaticContact CE1-CH2 3.67Å; H82-W108 AromaticContact CE1-CZ2 3.3Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.21Å; H82-W108 AromaticContact CG-CE3 3.98Å; H82-W108 AromaticContact CG-CH2 3.59Å; H82-W108 AromaticContact CG-CZ2 3.91Å; H82-W108 AromaticContact CG-CZ3 3.62Å; H82-W108 AromaticContact ND1-CH2 3.2Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.41Å; H82-W108 AromaticContact ND1-CZ2 3.38Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.48Å; H82-W108 AromaticContact ND1-CZ3 3.76Å; H82-W108 AromaticContact NE2-CE2 3.76Å; H82-W108 AromaticContact NE2-CZ2 3.8Å; W89-W108 HydrophobicContact CH2-CB 3.61Å; W89-W108 AromaticContact CH2-CD1 3.7Å; W89-W108 AromaticContact CH2-CD2 3.91Å; W89-W108 HydrophobicContact CH2-CD2 3.91Å; W89-W108 AromaticContact CH2-CG 3.43Å; W89-W108 HydrophobicContact CH2-CG 3.43Å; W89-W108 VanDerWaalsContact CH2-CG 3.43Å; W89-W108 HydrophobicContact CZ2-CB 4.43Å; W89-W108 HydrophobicContact CZ2-CG 4.23Å; W89-W108 HydrophobicContact CZ3-CB 4.03Å; W89-W108 HydrophobicContact CZ3-CG 4.2Å; I104-W108 WeakPolarHBondContact O-CB 3.38Å; I104-W108 PolarHBondContact O-N 3.1Å; W108-S110 VanDerWaalsContact C-N 3.28Å; W108-S110 PolarHBondContact O-N 2.65Å; W108-L112 HydrophobicContact CD2-CB 4.03Å; W108-L112 HydrophobicContact CD2-CD1 4.41Å; W108-L112 HydrophobicContact CE3-CB 3.71Å; W108-L112 HydrophobicContact CE3-CD1 3.52Å; W108-L112 HydrophobicContact CE3-CG 4.25Å; W108-L112 HydrophobicContact CZ3-CB 4.02Å; W108-L112 HydrophobicContact CZ3-CD1 4.02Å; W108-L112 PolarHBondContact O-N 2.87Å; W108-L112 VanDerWaalsContact O-N 3.09Å; W108-S113 WeakPolarHBondContact O-CB 3.39Å; W108-S113 PolarHBondContact O-N 2.97Å; W108-S113 PolarHBondContact O-OG 3.39Å; W108-I116 HydrophobicContact CH2-CG1 4.34Å; W108-I116 HydrophobicContact CZ2-CD1 4.01Å; W108-I116 HydrophobicContact CZ2-CG1 3.88Å
109N92.4Very high87.2Confident96 Ų9658.7 Ų58.751%0.51329%0.287SS..Hα-helixtrans-62.7-32.7-177.4-71.1-6.7000113.3K105 N106 S113K105-N109 WeakPolarHBondContact O-CB 3.43Å; K105-N109 VanDerWaalsContact O-CG 3.25Å; K105-N109 PolarHBondContact O-N 2.85Å; N106-N109 PolarHBondContact O-N 3.11Å; N109-S113 PolarHBondContact O-OG 2.79Å
110S90.9Very high85.9Confident65 Ų6562 Ų6246%0.45530%0.299SS..Hα-helixtrans-88.2-36.2-177-60.60000114.6N106 Y107 W108 R114N106-S110 WeakPolarHBondContact O-CB 3.19Å; N106-S110 PolarHBondContact O-N 2.96Å; N106-S110 PolarHBondContact O-OG 3.48Å; N106-S110 VanDerWaalsContact O-OG 3.07Å; Y107-S110 PolarHBondContact O-N 3.42Å; W108-S110 VanDerWaalsContact C-N 3.28Å; W108-S110 PolarHBondContact O-N 2.65Å; S110-R114 PolarHBondContact O-NH2 3.34Å
111H88.6Confident84.8Confident93 Ų9371 Ų7143%0.43133%0.331SS..THydrogen-bonded Turntrans-112.8-56.4-171.9-53.889.1000111.5Y107 Q115Y107-H111 AromaticContact CD2-CE1 3.78Å; Y107-H111 AromaticContact CD2-ND1 3.32Å; Y107-H111 VanDerWaalsContact CD2-ND1 3.32Å; Y107-H111 WeakPolarHBondContact CD2-ND1 3.46Å; Y107-H111 HydrophobicContact CE1-CB 4.48Å; Y107-H111 HydrophobicContact CE2-CB 4.29Å; Y107-H111 AromaticContact CE2-CE1 3.94Å; Y107-H111 AromaticContact CE2-CG 3.82Å; Y107-H111 AromaticContact CE2-ND1 3.5Å; Y107-H111 WeakPolarHBondContact CE2-ND1 3.33Å; Y107-H111 AromaticContact CG-ND1 3.93Å; Y107-H111 WeakPolarHBondContact O-CB 3.38Å; Y107-H111 PolarHBondContact O-N 3.1Å; Y107-H111 PolarHBondContact O-ND1 3.31Å; H111-Q115 PolarHBondContact O-OE1 2.89Å
112L88Confident83.5Confident0 Ų074.6 Ų74.60%034%0.344CS..G310 helixtrans-80.7-30.2-166.2-51.6177.9000114E75 I78 I79 Y107 W108 R114 Q115 I116 Y119E75-L112 HydrophobicContact CG-CD2 3.93Å; I78-L112 HydrophobicContact CG2-CD1 3.9Å; I79-L112 HydrophobicContact CD1-CD1 4.42Å; I79-L112 HydrophobicContact CD1-CD2 4.15Å; I79-L112 HydrophobicContact CG1-CD1 3.81Å; I79-L112 HydrophobicContact CG1-CD2 4.38Å; Y107-L112 HydrophobicContact CD1-CD1 3.82Å; Y107-L112 HydrophobicContact CD1-CG 4.05Å; Y107-L112 HydrophobicContact CE1-CD1 3.75Å; Y107-L112 HydrophobicContact CE1-CD2 3.89Å; Y107-L112 HydrophobicContact CE1-CG 3.78Å; W108-L112 HydrophobicContact CD2-CB 4.03Å; W108-L112 HydrophobicContact CD2-CD1 4.41Å; W108-L112 HydrophobicContact CE3-CB 3.71Å; W108-L112 HydrophobicContact CE3-CD1 3.52Å; W108-L112 HydrophobicContact CE3-CG 4.25Å; W108-L112 HydrophobicContact CZ3-CB 4.02Å; W108-L112 HydrophobicContact CZ3-CD1 4.02Å; W108-L112 PolarHBondContact O-N 2.87Å; W108-L112 VanDerWaalsContact O-N 3.09Å; L112-R114 PolarHBondContact O-N 2.84Å; L112-R114 VanDerWaalsContact O-N 3.14Å; L112-Q115 CarbonylContact O-C 3.54Å; L112-Q115 PolarHBondContact O-N 3Å; L112-I116 PolarHBondContact O-N 3.04Å; L112-Y119 HydrophobicContact CB-CE2 4.21Å; L112-Y119 HydrophobicContact CD2-CD2 4.45Å; L112-Y119 HydrophobicContact CD2-CE2 3.47Å; L112-Y119 VanDerWaalsContact CD2-CE2 3.47Å; L112-Y119 VanDerWaalsContact CD2-OH 3.28Å; L112-Y119 WeakPolarHBondContact CD2-OH 3.49Å; L112-Y119 HydrophobicContact CG-CE2 4.44Å
113S81.8Confident82Confident30 Ų3075.8 Ų75.821%0.2135%0.346CS..G310 helixtrans-52.6-35.3-178.757.70000113.9W108 N109 I116W108-S113 WeakPolarHBondContact O-CB 3.39Å; W108-S113 PolarHBondContact O-N 2.97Å; W108-S113 PolarHBondContact O-OG 3.39Å; N109-S113 PolarHBondContact O-OG 2.79Å; S113-I116 VanDerWaalsContact O-CD1 3.31Å; S113-I116 WeakPolarHBondContact O-CD1 3.28Å; S113-I116 WeakPolarHBondContact O-CG1 3.34Å
114R78.1Confident80.5Confident205 Ų20578.2 Ų78.277%0.77436%0.364SS*.G310 helixtrans-85.6-9.6179.5-67.7178-73.1173.3-2.7113.9S110 L112S110-R114 PolarHBondContact O-NH2 3.34Å; L112-R114 PolarHBondContact O-N 2.84Å; L112-R114 VanDerWaalsContact O-N 3.14Å
115Q76.8Confident78.9Confident85 Ų8581.9 Ų81.940%0.39739%0.394SS..THydrogen-bonded Turntrans-116.78.8-175-70178.2-61.300112.7H111 L112 H117 T118 Y119H111-Q115 PolarHBondContact O-OE1 2.89Å; L112-Q115 CarbonylContact O-C 3.54Å; L112-Q115 PolarHBondContact O-N 3Å; Q115-H117 PolarHBondContact O-N 3.2Å; Q115-H117 VanDerWaalsContact O-N 3.07Å; Q115-T118 WeakPolarHBondContact O-CA 3.31Å; Q115-T118 WeakPolarHBondContact O-CB 3.12Å; Q115-T118 PolarHBondContact O-N 3.2Å; Q115-Y119 HydrophobicContact CB-CD2 3.69Å; Q115-Y119 HydrophobicContact CB-CE2 3.34Å; Q115-Y119 HydrophobicContact CG-CE2 4.41Å; Q115-Y119 WeakPolarHBondContact O-CD2 3Å; Q115-Y119 PolarHBondContact O-N 2.96Å; Q115-Y119 PolarHBondContact OE1-OH 3.41Å
116I71.9Confident77Confident47 Ų4781.7 Ų81.724%0.24141%0.409CS..Hα-helixtrans-47.5-41.7-179.6-66173.7000112.1W108 L112 S113 Y119 R120W108-I116 HydrophobicContact CH2-CG1 4.34Å; W108-I116 HydrophobicContact CZ2-CD1 4.01Å; W108-I116 HydrophobicContact CZ2-CG1 3.88Å; L112-I116 PolarHBondContact O-N 3.04Å; S113-I116 VanDerWaalsContact O-CD1 3.31Å; S113-I116 WeakPolarHBondContact O-CD1 3.28Å; S113-I116 WeakPolarHBondContact O-CG1 3.34Å; I116-Y119 PolarHBondContact O-N 2.9Å; I116-R120 WeakPolarHBondContact O-CB 3.5Å; I116-R120 PolarHBondContact O-N 3.48Å
117H69.3Low75.1Confident153 Ų15384.2 Ų84.271%0.70843%0.429SS*.Hα-helixtrans-66.9-40.6-179.1-65.228.3000112.2Q115Q115-H117 PolarHBondContact O-N 3.2Å; Q115-H117 VanDerWaalsContact O-N 3.07Å
118T75.5Confident73.2Confident76 Ų7688.4 Ų88.447%0.46645%0.454SS..Hα-helixtrans-64.3-43.1175.1-50.10000111.2Q115Q115-T118 WeakPolarHBondContact O-CA 3.31Å; Q115-T118 WeakPolarHBondContact O-CB 3.12Å; Q115-T118 PolarHBondContact O-N 3.2Å
119Y71.5Confident71.3Confident20 Ų2095 Ų958%0.07849%0.491CS..Hα-helixtrans-74.7-41.6-176.9-69.7-54.5000113.2E75 I79 L112 Q115 I116 R121 K122 Y123E75-Y119 PolarHBondContact OE1-OH 3.48Å; I79-Y119 HydrophobicContact CD1-CD1 3.58Å; I79-Y119 HydrophobicContact CD1-CD2 4.2Å; I79-Y119 HydrophobicContact CD1-CE1 3.5Å; I79-Y119 VanDerWaalsContact CD1-CE1 3.5Å; I79-Y119 HydrophobicContact CD1-CE2 4.16Å; I79-Y119 HydrophobicContact CD1-CG 3.93Å; I79-Y119 HydrophobicContact CG2-CG 4.28Å; L112-Y119 HydrophobicContact CB-CE2 4.21Å; L112-Y119 HydrophobicContact CD2-CD2 4.45Å; L112-Y119 HydrophobicContact CD2-CE2 3.47Å; L112-Y119 VanDerWaalsContact CD2-CE2 3.47Å; L112-Y119 VanDerWaalsContact CD2-OH 3.28Å; L112-Y119 WeakPolarHBondContact CD2-OH 3.49Å; L112-Y119 HydrophobicContact CG-CE2 4.44Å; Q115-Y119 HydrophobicContact CB-CD2 3.69Å; Q115-Y119 HydrophobicContact CB-CE2 3.34Å; Q115-Y119 HydrophobicContact CG-CE2 4.41Å; Q115-Y119 WeakPolarHBondContact O-CD2 3Å; Q115-Y119 PolarHBondContact O-N 2.96Å; Q115-Y119 PolarHBondContact OE1-OH 3.41Å; I116-Y119 PolarHBondContact O-N 2.9Å; Y119-R121 VanDerWaalsContact C-N 3.3Å; Y119-R121 PolarHBondContact O-N 3.17Å; Y119-K122 WeakPolarHBondContact O-CB 3.36Å; Y119-K122 PolarHBondContact O-N 3.17Å; Y119-Y123 AromaticContact CD1-CE2 3.85Å; Y119-Y123 HydrophobicContact CD1-CE2 3.85Å; Y119-Y123 HydrophobicContact CG-CE2 4.34Å; Y119-Y123 WeakPolarHBondContact O-CD2 3.18Å; Y119-Y123 PolarHBondContact O-N 3.21Å
120R67.7Low69.5Low95 Ų9594.2 Ų94.236%0.35849%0.489SS..Hα-helixtrans-53.7-49.3178.3-171.2179.5-178.3124.5-7.3110.6I116 K122 Y123 T124I116-R120 WeakPolarHBondContact O-CB 3.5Å; I116-R120 PolarHBondContact O-N 3.48Å; R120-K122 PolarHBondContact O-N 2.78Å; R120-Y123 PolarHBondContact O-N 2.81Å; R120-T124 HydrophobicContact CG-CG2 3.83Å; R120-T124 WeakPolarHBondContact O-CB 3.47Å; R120-T124 WeakPolarHBondContact O-CG2 3.49Å; R120-T124 PolarHBondContact O-N 2.76Å; R120-T124 PolarHBondContact O-OG1 3.46Å
121R70.2Confident67.7Low201 Ų20196.1 Ų96.176%0.75851%0.509SS*.Hα-helixtrans-56-35.9176.8-168.8-177-63.9168.7-0.6113.1Y119 A125Y119-R121 VanDerWaalsContact C-N 3.3Å; Y119-R121 PolarHBondContact O-N 3.17Å; R121-A125 WeakPolarHBondContact O-CB 3.21Å
122K69.3Low66.3Low140 Ų14094.4 Ų94.461%0.60950%0.503SS*.Hα-helixtrans-75.3-37179.5-69.8-178.5176-172.50113.6Y119 R120Y119-K122 WeakPolarHBondContact O-CB 3.36Å; Y119-K122 PolarHBondContact O-N 3.17Å; R120-K122 PolarHBondContact O-N 2.78Å
123Y63.3Low64.9Low58 Ų5899 Ų9923%0.22754%0.541CS..Hα-helixtrans-101.5-8.7-173.7-56.6-68.2000114.8D76 I79 K80 Y119 R120D76-Y123 PolarHBondContact OD1-OH 3.43Å; I79-Y123 HydrophobicContact CB-CD2 4.19Å; I79-Y123 HydrophobicContact CB-CE2 3.79Å; I79-Y123 HydrophobicContact CD1-CE2 3.91Å; I79-Y123 HydrophobicContact CG1-CE2 4.45Å; I79-Y123 HydrophobicContact CG2-CD2 3.36Å; I79-Y123 HydrophobicContact CG2-CE2 3.34Å; I79-Y123 HydrophobicContact CG2-CG 4.39Å; K80-Y123 HydrophobicContact CD-CD1 4.25Å; K80-Y123 HydrophobicContact CD-CE1 4.32Å; K80-Y123 VanDerWaalsContact CE-CD1 3.49Å; K80-Y123 HydrophobicContact CG-CD1 3.66Å; K80-Y123 HydrophobicContact CG-CE1 4Å; K80-Y123 HydrophobicContact CG-CG 4.22Å; Y119-Y123 AromaticContact CD1-CE2 3.85Å; Y119-Y123 HydrophobicContact CD1-CE2 3.85Å; Y119-Y123 HydrophobicContact CG-CE2 4.34Å; Y119-Y123 WeakPolarHBondContact O-CD2 3.18Å; Y119-Y123 PolarHBondContact O-N 3.21Å; R120-Y123 PolarHBondContact O-N 2.81Å
124T63.2Low64Low94 Ų9499.1 Ų99.158%0.57754%0.539SS*.SBendtrans-109.83.4175.673.40000114.3R120R120-T124 HydrophobicContact CG-CG2 3.83Å; R120-T124 WeakPolarHBondContact O-CB 3.47Å; R120-T124 WeakPolarHBondContact O-CG2 3.49Å; R120-T124 PolarHBondContact O-N 2.76Å; R120-T124 PolarHBondContact O-OG1 3.46Å
125A60.2Low63.4Low77 Ų7792.5 Ų92.564%0.63652%0.518SS*.SBendtrans-120.11.5-175.800000114.8R121R121-A125 WeakPolarHBondContact O-CB 3.21Å
126G56.1Low62.8Low53 Ų5393.4 Ų93.455%0.54652%0.524SS..  trans-112.3130.7176.500000110.9D128G126-D128 VanDerWaalsContact C-N 3.26Å; G126-D128 PolarHBondContact O-N 3.48Å
127P54.6Low62.4Low124 Ų12495 Ų9581%0.80554%0.539SS*.  trans-71.6-17.8175.2-17.331.9000114.2
128D53.1Low61.9Low124 Ų12493.2 Ų93.266%0.66353%0.529SS*.SBendtrans-112.5149-152.8-53.8-55.4000116.3G126 T130G126-D128 VanDerWaalsContact C-N 3.26Å; G126-D128 PolarHBondContact O-N 3.48Å; D128-T130 PolarHBondContact O-N 2.79Å
129D54.5Low61Low159 Ų15991.1 Ų91.185%0.8552%0.515SS*.SBendtrans77.91.7151-66.9-12.7000123.6
130T54.6Low60.2Low79 Ų7996.9 Ų96.949%0.48554%0.543SS..  trans-140.975.4160.956.60000115.2K80 D128 I132K80-T130 WeakPolarHBondContact CD-OG1 3.38Å; K80-T130 WeakPolarHBondContact CE-OG1 3.09Å; K80-T130 VanDerWaalsContact NZ-CG2 3.28Å; K80-T130 PolarHBondContact NZ-OG1 3.02Å; D128-T130 PolarHBondContact O-N 2.79Å; T130-I132 VanDerWaalsContact C-N 3.3Å; T130-I132 PolarHBondContact O-N 3.45Å
131A53Low59.7Low106 Ų10696.1 Ų96.188%0.87655%0.552SS**  trans-69.984.5162.900000110.7A133A131-A133 PolarHBondContact O-N 3.15Å; A131-A133 VanDerWaalsContact O-N 3.08Å
132I59.4Low58.9Low57 Ų5789.2 Ų89.229%0.29254%0.538SS..  trans-67.9107.4165.8-56.7174.5000106.7I77 K80 L81 T130 I134I77-I132 HydrophobicContact CG2-CD1 4.46Å; K80-I132 HydrophobicContact CB-CD1 4.17Å; L81-I132 HydrophobicContact CD2-CD1 4.22Å; L81-I132 HydrophobicContact CD2-CG2 4.03Å; L81-I132 HydrophobicContact CG-CD1 4.12Å; T130-I132 VanDerWaalsContact C-N 3.3Å; T130-I132 PolarHBondContact O-N 3.45Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 HydrophobicContact CG2-CG1 4.32Å; I132-I134 PolarHBondContact O-N 3.01Å
133A60Low58.1Low96 Ų9688.2 Ų88.279%0.79354%0.539SS*.  trans-67.390.7176.800000110.4A131 D135A131-A133 PolarHBondContact O-N 3.15Å; A131-A133 VanDerWaalsContact O-N 3.08Å; A133-D135 PolarHBondContact O-N 3.49Å
134I61.4Low57.6Low33 Ų3395.9 Ų95.917%0.16957%0.568CS.*  trans-80.7110.6175.5-50.7175.3000108.5L81 T84 L85 I132 M136L81-I134 HydrophobicContact CD2-CD1 3.7Å; L81-I134 HydrophobicContact CD2-CG1 3.93Å; T84-I134 WeakPolarHBondContact OG1-CD1 3.33Å; L85-I134 HydrophobicContact CD1-CD1 4.29Å; L85-I134 HydrophobicContact CD2-CD1 4.15Å; L85-I134 HydrophobicContact CD2-CG2 4.22Å; L85-I134 HydrophobicContact CG-CD1 4.1Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 HydrophobicContact CG2-CG1 4.32Å; I132-I134 PolarHBondContact O-N 3.01Å; I134-M136 HydrophobicContact CB-CE 3.57Å; I134-M136 HydrophobicContact CG2-CE 3.44Å; I134-M136 VanDerWaalsContact CG2-CE 3.44Å; I134-M136 WeakPolarHBondContact O-CE 3.4Å; I134-M136 PolarHBondContact O-N 2.86Å
135D66Low57.2Low65 Ų65102.4 Ų102.435%0.34858%0.582SS.*  trans-63.695.6171.7170.319000111.1A133 S137 K138A133-D135 PolarHBondContact O-N 3.49Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-S137 VanDerWaalsContact O-N 3.12Å; D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 3.08Å; D135-S137 VanDerWaalsContact OD1-N 3.13Å; D135-S137 PolarHBondContact OD1-OG 2.92Å; D135-K138 HydrophobicContact CB-CD 4.22Å; D135-K138 PolarHBondContact O-N 3.36Å; D135-K138 VanDerWaalsContact O-N 3.13Å; D135-K138 VanDerWaalsContact OD2-CD 3.31Å; D135-K138 WeakPolarHBondContact OD2-CD 3.34Å; D135-K138 WeakPolarHBondContact OD2-CE 3.44Å; D135-K138 WeakPolarHBondContact OD2-CG 3.48Å; D135-K138 IonicContact OD2-NZ 2.93Å; D135-K138 PolarHBondContact OD2-NZ 3.48Å; D135-K138 VanDerWaalsContact OD2-NZ 3.1Å
136M63.7Low56.7Low105 Ų105109.2 Ų109.252%0.51759%0.591SS.*THydrogen-bonded Turntrans-56.9-24.3179.9-66.6-68.2105.300113.1I134 K138 L139I134-M136 HydrophobicContact CB-CE 3.57Å; I134-M136 HydrophobicContact CG2-CE 3.44Å; I134-M136 VanDerWaalsContact CG2-CE 3.44Å; I134-M136 WeakPolarHBondContact O-CE 3.4Å; I134-M136 PolarHBondContact O-N 2.86Å; M136-K138 PolarHBondContact O-N 3.02Å; M136-L139 HydrophobicContact CE-CD1 3.76Å; M136-L139 WeakPolarHBondContact O-CB 3.07Å; M136-L139 PolarHBondContact O-N 3.13Å; M136-L139 HydrophobicContact SD-CD1 3.49Å; M136-L139 WeakPolarHBondContact SD-CD1 3.46Å
137S63.6Low55.8Low79 Ų79110.5 Ų110.555%0.55261%0.605SS**Hα-helixtrans-58.3-31.8177.7-32.70000112D135 L139D135-S137 PolarHBondContact O-N 2.94Å; D135-S137 VanDerWaalsContact O-N 3.12Å; D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 3.08Å; D135-S137 VanDerWaalsContact OD1-N 3.13Å; D135-S137 PolarHBondContact OD1-OG 2.92Å; S137-L139 VanDerWaalsContact C-N 3.33Å; S137-L139 PolarHBondContact O-N 3.19Å
138K59.4Low55.1Low116 Ų116107.6 Ų107.650%0.50460%0.597SS.*Hα-helixtrans-72-23.6178.5-71.3167.1-177.3148.60113.2L91 D135 M136 A142L91-K138 HydrophobicContact CD1-CB 4.24Å; D135-K138 HydrophobicContact CB-CD 4.22Å; D135-K138 PolarHBondContact O-N 3.36Å; D135-K138 VanDerWaalsContact O-N 3.13Å; D135-K138 VanDerWaalsContact OD2-CD 3.31Å; D135-K138 WeakPolarHBondContact OD2-CD 3.34Å; D135-K138 WeakPolarHBondContact OD2-CE 3.44Å; D135-K138 WeakPolarHBondContact OD2-CG 3.48Å; D135-K138 IonicContact OD2-NZ 2.93Å; D135-K138 PolarHBondContact OD2-NZ 3.48Å; D135-K138 VanDerWaalsContact OD2-NZ 3.1Å; M136-K138 PolarHBondContact O-N 3.02Å; K138-A142 PolarHBondContact O-N 2.63Å
139L55.6Low54.7Low33 Ų33113.3 Ų113.317%0.17361%0.609CS.*Hα-helixtrans-67.5-46.3177.9-70.3169.8000112L85 L91 M136 S137 S141 A142 D143L85-L139 HydrophobicContact CD2-CD2 4.06Å; L91-L139 HydrophobicContact CD2-CD2 3.43Å; L91-L139 VanDerWaalsContact CD2-CD2 3.43Å; L91-L139 HydrophobicContact CD2-CG 4.23Å; M136-L139 HydrophobicContact CE-CD1 3.76Å; M136-L139 WeakPolarHBondContact O-CB 3.07Å; M136-L139 PolarHBondContact O-N 3.13Å; M136-L139 HydrophobicContact SD-CD1 3.49Å; M136-L139 WeakPolarHBondContact SD-CD1 3.46Å; S137-L139 VanDerWaalsContact C-N 3.33Å; S137-L139 PolarHBondContact O-N 3.19Å; L139-S141 PolarHBondContact O-N 3.12Å; L139-A142 WeakPolarHBondContact O-CB 3.49Å; L139-A142 PolarHBondContact O-N 3.28Å; L139-D143 PolarHBondContact O-N 2.94Å
140Q56Low54.4Low141 Ų141111.9 Ų111.966%0.65961%0.607SS**Hα-helixtrans-61.1-31.1-178.6-59.6-173.44.100112.3
141S56.4Low54.2Low79 Ų79114.4 Ų114.455%0.55263%0.625SS**Hα-helixtrans-74.3-23.9176.8-67.50000114L139L139-S141 PolarHBondContact O-N 3.12Å
142A54.1Low53.6Low56 Ų56112.7 Ų112.746%0.46362%0.617SS.*Hα-helixtrans-80.8-42.8176.900000111.5K138 L139 R144 R145K138-A142 PolarHBondContact O-N 2.63Å; L139-A142 WeakPolarHBondContact O-CB 3.49Å; L139-A142 PolarHBondContact O-N 3.28Å; A142-R144 PolarHBondContact O-N 3.4Å; A142-R145 PolarHBondContact O-N 3.04Å; A142-R145 VanDerWaalsContact O-N 3.15Å
143D52Low53Low118 Ų118120 Ų12063%0.63164%0.641SS**Hα-helixtrans-62.7-41.8-176.7-171.562.2000112.8L139 R145 R146L139-D143 PolarHBondContact O-N 2.94Å; D143-R145 PolarHBondContact O-N 3.25Å; D143-R146 PolarHBondContact O-N 3.48Å
144R53.5Low52.6Low220 Ų220120.4 Ų120.483%0.8364%0.636SS**THydrogen-bonded Turntrans-56.7-14.7175.5-72.3-175.6176.2-162.9-0.3114.8A142A142-R144 PolarHBondContact O-N 3.4Å
145R54.1Low51.9Low230 Ų230124.7 Ų124.787%0.86867%0.666SS**THydrogen-bonded Turntrans-90.6-10.8173.7-56.9-162.1-164.2-138.49.2114.2A142 D143A142-R145 PolarHBondContact O-N 3.04Å; A142-R145 VanDerWaalsContact O-N 3.15Å; D143-R145 PolarHBondContact O-N 3.25Å
146R48.9Very low50.9Low220 Ų220130.8 Ų130.883%0.8369%0.689SS**  trans-98.83.2178.6-168.8170.8-87.5-119.35.3113.4D143 G148D143-R146 PolarHBondContact O-N 3.48Å; R146-G148 PolarHBondContact O-N 2.74Å
147G38Very low50.1Low81 Ų81130.4 Ų130.484%0.83570%0.702SS**  trans-66.864168.100000113.7
148G38.9Very low49Very low63 Ų63132.1 Ų132.165%0.64971%0.714SS**  trans-129.263.1-159.700000115.5R146R146-G148 PolarHBondContact O-N 2.74Å
149R45Very low48.4Very low243 Ų243131.5 Ų131.592%0.91773%0.731SS**  trans65.394.8164.1-56.8175.4173.5-165-7116.6
150T49.5Very low48Very low130 Ų130134.9 Ų134.980%0.79876%0.757SS**  trans-60.1142.3142.347.50000109.2G152T150-G152 PolarHBondContact O-N 2.83Å
151P50Low47.7Very low132 Ų132139.9 Ų139.986%0.85777%0.77SS**  trans-70.497.6170.9-15.430.3000109.2R153P151-R153 PolarHBondContact O-N 2.89Å
152G40.7Very low47.2Very low70 Ų70141.2 Ų141.272%0.72278%0.775SS**  trans-57109.7175.800000111.1T150T150-G152 PolarHBondContact O-N 2.83Å
153R45.4Very low46.8Very low210 Ų210147.6 Ų147.679%0.79279%0.792SS**PPolyproline II helixtrans-46.9125.2171.9174.2176.8176.3-105.113.6109.8P151P151-R153 PolarHBondContact O-N 2.89Å
154P51.7Low46.5Very low105 Ų105150.7 Ų150.768%0.68280%0.803SS**PPolyproline II helixtrans-64.1140.3-179.126.4-33.8000110.3K156P154-K156 PolarHBondContact O-N 3.46Å
155P47.6Very low46.2Very low123 Ų123143.9 Ų143.980%0.79979%0.794SS**PPolyproline II helixtrans-65.3129.1177.826.7-33.1000110A157P155-A157 PolarHBondContact O-N 3.21Å
156K44Very low45.9Very low193 Ų193140.7 Ų140.784%0.83979%0.794SS**  trans-76.785.3-177.8-158.3179.5-171.4-176.10109P154 S158P154-K156 PolarHBondContact O-N 3.46Å; K156-S158 PolarHBondContact O-N 3.22Å
157A46.8Very low45.9Very low96 Ų96134.2 Ų134.279%0.79379%0.788SS**  trans-6899.2179.500000111.1P155 A159P155-A157 PolarHBondContact O-N 3.21Å; A157-A159 PolarHBondContact O-N 3.13Å; A157-A159 VanDerWaalsContact O-N 3.08Å
158S41.8Very low46.1Very low115 Ų115137.8 Ų137.880%0.80479%0.788SS**  trans-75.785.717251.10000110.6K156K156-S158 PolarHBondContact O-N 3.22Å
159A46.8Very low46.5Very low103 Ų103142.6 Ų142.685%0.85179%0.793SS**  trans-92.4101.7171.300000110.2A157A157-A159 PolarHBondContact O-N 3.13Å; A157-A159 VanDerWaalsContact O-N 3.08Å
160S47.2Very low46.7Very low105 Ų105136.4 Ų136.473%0.73479%0.785SS**  trans-101.3125.6-179.854.80000112.5
161R49.8Very low46.3Very low245 Ų245133.8 Ų133.893%0.92578%0.784SS**  trans66.2149.9158.5-102.6-179.2161.7177.3-6.7116
162T45.7Very low45.9Very low108 Ų108131.1 Ų131.166%0.66378%0.78SS**  cis-151.1117.95-65.80000106.7
163K45.7Very low45.9Very low189 Ų189137 Ų13782%0.82279%0.788SS**  61.2132.5100.7-154.7-175.6-177.9-176.90117.4
164Q45.7Very low45.9Very low184 Ų184131 Ų13186%0.8678%0.784SS**  trans104.1134.8169.6-64.2-178.7-70.900115
165A47.2Very low45.7Very low77 Ų77136.1 Ų136.164%0.63680%0.795SS**  cis-161.5162.4-17.800000109.1
166D47.2Very low45.5Very low162 Ų162133.6 Ų133.687%0.86679%0.792SS**  trans23.1138.3152.9-65.8-104.3000120.9
167A48.7Very low46Very low85 Ų85130.8 Ų130.870%0.70279%0.793SS**  cis-159.4-167.9-2.200000107.5
168D43.6Very low46Very low155 Ų155130.8 Ų130.883%0.82979%0.793SS**  cis-155.3-170.14.8-151.2162.5000110.9
169Q47.2Very low46Very low165 Ų165130 Ų13077%0.77179%0.793SS**  trans-151.4-172.3179.1-108.7-165.84800110.9
170P47.7Very low45.9Very low113 Ų113130 Ų13073%0.73479%0.793SS**  cis-133.8-167.2-4436.9-19.6000112
171G41.5Very low45.8Very low75 Ų75129.1 Ų129.177%0.77379%0.793SS**  trans155.9134148.300000119.7
172G41.4Very low45.6Very low75 Ų75122.9 Ų122.977%0.77379%0.787SS**  trans77.4108.7157.300000117.1
173E40.9Very low45.6Very low194 Ų194123.2 Ų123.291%0.90779%0.793SS**  cis86112.246.7-70-156.285.600118
174A46.2Very low46Very low84 Ų84119.2 Ų119.269%0.69479%0.786SS**  trans88140.7130.400000123.7
175K46.6Very low45.8Very low213 Ų213121.7 Ų121.793%0.92679%0.788SS**  trans67.7150.2165.2-65.3170.2178.5171.70116.8
176G43.5Very low45.9Very low70 Ų70126.2 Ų126.272%0.72280%0.796SS**  cis170.1158.4-0.600000109.9
177P55.8Low45.9Very low133 Ų133121.8 Ų121.886%0.86478%0.777SS**  trans-108168-159.140.4-35.7000115.7
178A45.3Very low45.8Very low97 Ų97125 Ų12580%0.80278%0.783SS**  trans170.8158.9136.800000115.9
179A43.2Very low46Very low97 Ų97124.7 Ų124.780%0.80279%0.786SS**  trans67.4115.9152.500000119.6
180A43.8Very low46.2Very low103 Ų103123.2 Ų123.285%0.85179%0.788SS**  95.8146.478.100000111.6
181A45.7Very low45.9Very low88 Ų88124.9 Ų124.973%0.72779%0.791SS**  cis-158.1179.28.600000112.9
182S46Very low46.2Very low114 Ų114126.8 Ų126.880%0.79779%0.789SS**  trans83.189.3146.8-54.20000123.5
183S44.5Very low46.1Very low114 Ų114126.5 Ų126.580%0.79779%0.787SS**  -6.7173.6123.3-60.60000121.9
184P53.9Low46.5Very low105 Ų105123.6 Ų123.668%0.68279%0.785SS**  cis-150.9-170-37.244-25.5000116.8
185R42.8Very low46.4Very low237 Ų237127.2 Ų127.289%0.89479%0.792SS**  trans75122.8148.8-75.5174171.9-138.5-5.6123.3
186H48.2Very low46.2Very low172 Ų172125.1 Ų125.180%0.79679%0.786SS**  -168.5111.7121.7-154.5-86.2000110
187S48.4Very low46.4Very low69 Ų69127.1 Ų127.148%0.48379%0.786SS.*  61.7111.890.38.20000118.9
188D44.9Very low46Very low152 Ų152128.3 Ų128.381%0.81379%0.785SS**  trans68.2129.3139.1-48.6-47.2000124.3
189V48.7Very low45.6Very low149 Ų149128.7 Ų128.790%0.90378%0.782SS**  -173.5162.6123.2143.60000112.3
190V50.6Low45.8Very low134 Ų134129.3 Ų129.381%0.81278%0.78SS**  trans-105.6157.8-150.2-171.30000115.7
191N43.1Very low46Very low147 Ų147129.9 Ų129.979%0.78678%0.778SS**  trans-38.1-179.9158.7-117.2-25.9000117.3
192P46.7Very low45.8Very low115 Ų115129 Ų12975%0.74778%0.778SS**  cis-137.2-169.4-833.3-8.9000116.3
193G40.2Very low45.8Very low70 Ų70129 Ų12972%0.72278%0.778SS**  trans-78.6-150.3178.700000116.3
194P48.7Very low45.4Very low133 Ų133130.2 Ų130.286%0.86478%0.781SS**  cis-140.1-163.715.644.6-25.1000116.3
195N44.1Very low44.8Very low159 Ų159128.9 Ų128.985%0.8579%0.786SS**  trans128.1141.8144.1-149.115.8000117.7
196Q42.8Very low44.4Very low169 Ų169124 Ų12479%0.7978%0.783SS**  trans-103.8-161.6175.2-62.6-164-18.400110.2
197P48.2Very low44.1Very low112 Ų112119.9 Ų119.973%0.72778%0.779SS**  cis-132.6179.1-16.340.8-24.2000114.9
198N45.4Very low43.5Very low158 Ų158125.3 Ų125.385%0.84580%0.796SS**  trans-159159.3144.2-156.98.5000113.2
199S38.1Very low43.2Very low105 Ų105125.8 Ų125.873%0.73479%0.794SS**  trans-134.6140.1-176.7-51.80000112.3
200S47.3Very low42.6Very low110 Ų110126.7 Ų126.777%0.76979%0.788SS**  trans172.8151.7160.949.70000110.1
201S47.4Very low42Very low115 Ų115123.6 Ų123.680%0.80478%0.783SS**  cis-176.3147.2-20.7490000110.3
202G42Very low42.3Very low70 Ų70122.5 Ų122.572%0.72278%0.784SS**  trans93.2151.2160.900000117.6
203S45.3Very low41.6Very low114 Ų114122.7 Ų122.780%0.79779%0.788SS**  cis-160.7140.1-6.5-88.30000113.5
204T35.9Very low41.9Very low140 Ų140123.5 Ų123.586%0.85978%0.783SS**  trans25.6135.6148.730.60000124.8
205G41.9Very low41.7Very low77 Ų77125.6 Ų125.679%0.79478%0.781SS**  trans-175.5122.4152.600000110.2
206T35.6Very low41.6Very low134 Ų134124.7 Ų124.782%0.82278%0.776SS**  trans-128.6173.6-158.7470000115.1
207A40.8Very low41.7Very low86 Ų86121.5 Ų121.571%0.71178%0.779SS**  trans92.9126174.900000114.9
208E36Very low41.2Very low183 Ų183121.9 Ų121.986%0.85578%0.784SS**  cis67.8132.936.1-57.1-177.1149.900112.3
209E38.7Very low41.1Very low161 Ų161117.2 Ų117.275%0.75277%0.774SS**  cis-157.2166.12.2-99.9-113114.400109.8
210E36.5Very low41Very low169 Ų169117.7 Ų117.779%0.7977%0.774SS**  trans40.9139.2146.1-65.3-72.190.100124.2
211G37.9Very low40.9Very low69 Ų69123.9 Ų123.971%0.71178%0.781SS**  trans126.9144.4138.100000117.9
212P48.7Very low40.3Very low124 Ų124123.9 Ų123.981%0.80578%0.775SS**  trans-124.8-172.2-152.642.4-27.3000116.7
213S32.8Very low40.2Very low118 Ų118128 Ų12883%0.82578%0.78SS**  trans78.9151.9178.384.70000114.3
214S46.5Very low40.2Very low87 Ų87130.3 Ų130.361%0.60878%0.778SS**  cis-161.5152.21363.80000110.8
215E44Very low40.3Very low177 Ų177129.6 Ų129.683%0.82778%0.776SS**  trans53.6149.1150.5-5.2-168.7100.600118.1
216D41Very low40.7Very low140 Ų140133.4 Ų133.475%0.74978%0.777SS**  cis-157.4152.614.5-102.9-51.9000109.2
217A45.5Very low40.6Very low103 Ų103136 Ų13685%0.85178%0.779SS**  trans178.782.6149.500000111.7
218S37.8Very low40.6Very low120 Ų120140 Ų14084%0.83979%0.788SS**  trans-72.3149.6178.5-64.40000114
219G42.5Very low40.7Very low60 Ų60134.5 Ų134.562%0.61978%0.781SS**  trans172.882.116900000114.5
220P36.2Very low40.3Very low114 Ų114134 Ų13474%0.7478%0.783SS**  trans-81.3123.3176.732-31.6000111.4V222P220-V222 VanDerWaalsContact C-N 3.3Å; P220-V222 PolarHBondContact O-N 2.94Å
221W46.1Very low40.5Very low241 Ų241133 Ų13391%0.91378%0.782SS**  trans-76.184.7166.2-70.290.3000109.6L223W221-L223 PolarHBondContact O-N 3.39Å
222V34.5Very low40.3Very low114 Ų114135.7 Ų135.769%0.69179%0.785SS**  trans-73.7108.2164179.90000107.1P220 E224P220-V222 VanDerWaalsContact C-N 3.3Å; P220-V222 PolarHBondContact O-N 2.94Å; V222-E224 HydrophobicContact CG1-CG 4.46Å
223L40.8Very low39.9Very low157 Ų157140.6 Ų140.682%0.82279%0.787SS**  trans-100.7114.8166.6-140.478.2000107.3W221W221-L223 PolarHBondContact O-N 3.39Å
224E45.2Very low40Very low163 Ų163138 Ų13876%0.76278%0.78SS**  trans-70.4142.6-177.8-61.9-171.5149.100111.1V222 I226V222-E224 HydrophobicContact CG1-CG 4.46Å; E224-I226 PolarHBondContact O-N 3.11Å
225P38.1Very low39.3Very low124 Ų124143.5 Ų143.581%0.80580%0.796SS**  trans-66.2124.1171.4-1731.1000110.4E227P225-E227 PolarHBondContact O-N 3.17Å
226I49.5Very low39.1Very low158 Ų158139.1 Ų139.181%0.8179%0.79SS**  trans-74.6115.5171.4-58.2172.5000107.6E224 L228E224-I226 PolarHBondContact O-N 3.11Å; I226-L228 PolarHBondContact O-N 3.49Å
227E33.5Very low38.8Very low189 Ų189140.5 Ų140.588%0.88380%0.797SS**  trans-66.2120.4172.7-63.3-166.8149.300110.2P225P225-E227 PolarHBondContact O-N 3.17Å
228L40.9Very low38.6Very low168 Ų168141.3 Ų141.388%0.8880%0.796SS**  trans-120.6101.1165.6-142.983.5000108.1I226I226-L228 PolarHBondContact O-N 3.49Å
229G38.5Very low38.6Very low69 Ų69144.8 Ų144.871%0.71180%0.8SS**  trans-75.7158.7-175.300000114.4
230D30.6Very low38.8Very low151 Ų151150.5 Ų150.581%0.80781%0.812SS**  trans43.896157.1-67-16.4000119.2
231L39.1Very low39.1Very low147 Ų147152.3 Ų152.377%0.7782%0.816SS**  trans-137.285.8143.9-108.2141.4000110.1W233L231-W233 HydrophobicContact CD2-CZ2 4.49Å; L231-W233 PolarHBondContact O-N 3.27Å
232V34.1Very low39Very low125 Ų125144.2 Ų144.276%0.75880%0.8SS**  trans-62.3113.9169.7173.30000109.2
233W41.7Very low39.3Very low227 Ų227146.6 Ų146.686%0.8681%0.808SS**  trans-111.1104.4159.1-75.9101.7000108.1L231L231-W233 HydrophobicContact CD2-CZ2 4.49Å; L231-W233 PolarHBondContact O-N 3.27Å
234G33.9Very low39.5Very low65 Ų65147.2 Ų147.267%0.6781%0.809SS**  trans-69.2155.7-171.600000113.8
235E32.3Very low39.4Very low201 Ų201144 Ų14494%0.93980%0.802SS**  trans-68130.1176.1-61.5146.8111.900111.6
236A40Very low39.7Very low86 Ų86145.9 Ų145.971%0.71180%0.804SS**  trans-157.2118.7146.800000108.2
237D34.4Very low39.3Very low169 Ų169141.7 Ų141.790%0.90480%0.799SS**  trans176.389.1134.7-90.3-17.4000109.5
238S41.7Very low39.8Very low119 Ų119139.3 Ų139.383%0.83280%0.801SS**  trans-132.1122160.1-78.40000108.9
239E37Very low39.7Very low194 Ų194135.2 Ų135.291%0.90780%0.799SS**  trans69.398.6146.9-156.6175.5161.400118.8
240M47.8Very low39.7Very low180 Ų180135.2 Ų135.289%0.88780%0.799SS**  trans-151.5104.7135.6-176.6168.8173.400110.5
241D40.8Very low40.3Very low152 Ų152135.8 Ų135.881%0.81380%0.796SS**  trans-79.3174.3165.3-151.1-47.2000110.3
242A44Very low40.4Very low71 Ų71136.1 Ų136.159%0.58780%0.799SS**  trans91.4131.2164.600000120.3
243L41.8Very low40.7Very low163 Ų163135.7 Ų135.785%0.85380%0.801SS**  trans89.564.7155.6-47.2-172.8000120.3
244M44.3Very low40.6Very low170 Ų170129.3 Ų129.384%0.83780%0.797SS**  -7.6163.5118.8-70-86.6-78.900118.4
245P44.8Very low40.8Very low96 Ų96131.2 Ų131.262%0.62381%0.806SS**  cis-144.3-154.5-32.537.5-15.1000113.7
246I42.8Very low41.3Very low163 Ų163129.9 Ų129.984%0.83681%0.805SS**  trans102.4103.2157.6-48.6176000118.7
247G41.7Very low41.1Very low70 Ų70135 Ų13572%0.72281%0.814SS**  101.8144115.800000119.4
248P42.9Very low41.3Very low140 Ų140130.3 Ų130.391%0.90981%0.805SS**  trans-123.2167.1-16040.8-25.5000117.4
249G39.6Very low41.2Very low82 Ų82133.2 Ų133.285%0.84581%0.811SS**  trans129142.7169.800000112.3
250G39.4Very low41.1Very low68 Ų68127.9 Ų127.970%0.70181%0.807SS**  cis147.999.1-2.300000112.1
251H42.9Very low40.3Very low164 Ų164124.4 Ų124.476%0.75981%0.807SS**  trans173.8123.8158.948.5-96000107.8
252D40.2Very low40.3Very low154 Ų154123.8 Ų123.882%0.82481%0.809SS**  64.4141.797.2-53.5-44.5000115.1
253S41.1Very low39.7Very low116 Ų116124.1 Ų124.181%0.81182%0.819SS**  cis-175.4130.3-19.3179.60000108.1
254A40.2Very low39.5Very low93 Ų93121.8 Ų121.877%0.76982%0.815SS**  trans168.7104.316000000108.9
255A37.4Very low38.9Very low104 Ų104123.2 Ų123.286%0.8682%0.82SS**  73.692.271.700000114.2
256L41.7Very low38.8Very low173 Ų173123 Ų12391%0.90683%0.826SS**  trans-146119.5153.2-155.1150.4000108.4
257E37.5Very low38.8Very low195 Ų195121.6 Ų121.691%0.91182%0.816SS**  trans-82.7149.1-174.4-59.1-177133.800112.2
258G37.7Very low39Very low70 Ų70123.6 Ų123.672%0.72281%0.814SS**  trans171.1115.3166.800000115.6
259L39.1Very low39.2Very low180 Ų180122.1 Ų122.194%0.94280%0.799SS**  trans7594.9156.9-50.2180000119.1
260G35.3Very low39.8Very low81 Ų81123.9 Ų123.984%0.83579%0.789SS**  77.192.5110.700000118.5
261A31.5Very low40.2Very low107 Ų107124 Ų12488%0.88477%0.773SS**  trans-75.1124.5168.600000112.7
262V41.5Very low40.5Very low140 Ų140123.5 Ų123.585%0.84877%0.769SS**  trans-132.2113.1150.6-179.50000106.7
263G30.8Very low41Very low78 Ų78123.5 Ų123.580%0.80477%0.769SS**  trans-93.7132.1-176.100000112.6
264C37.8Very low41.6Very low114 Ų114121.6 Ų121.677%0.7775%0.748SS**  trans-153.274.2161.745.80000109.7A266C264-A266 VanDerWaalsContact C-N 3.33Å; C264-A266 PolarHBondContact O-N 2.94Å
265E31.5Very low42.7Very low200 Ų200122.1 Ų122.194%0.93574%0.738SS**  trans-64.697.6161.6-73.7-165.211500108.4Q267E265-Q267 PolarHBondContact O-N 3.38Å
266A42.1Very low43.5Very low92 Ų92121.8 Ų121.876%0.7671%0.714SS**  trans-66.3112.3172.600000108.8C264 V268C264-A266 VanDerWaalsContact C-N 3.33Å; C264-A266 PolarHBondContact O-N 2.94Å; A266-V268 PolarHBondContact O-N 3.41Å
267Q43.7Very low44.3Very low132 Ų132119.3 Ų119.362%0.61770%0.702SS**  trans-59.9133.5174.9-77.2-176.1-113.100109.9E265 D269 D270E265-Q267 PolarHBondContact O-N 3.38Å; Q267-D269 HydrophobicContact CB-CB 4.44Å; Q267-D269 PolarHBondContact NE2-OD2 3.17Å; Q267-D269 PolarHBondContact O-N 2.91Å; Q267-D270 PolarHBondContact O-N 2.8Å
268V45.7Very low45.5Very low113 Ų113111.1 Ų111.169%0.68567%0.67SS**THydrogen-bonded Turntrans-57.9-10.2172.7-76.90000114A266 F272A266-V268 PolarHBondContact O-N 3.41Å; V268-F272 WeakPolarHBondContact O-CD2 3.36Å
269D47.2Very low46.5Very low109 Ų109110.6 Ų110.658%0.58365%0.648SS**THydrogen-bonded Turntrans-77.5-29.7174.4-56.1-71.5000113.5Q267 L271Q267-D269 HydrophobicContact CB-CB 4.44Å; Q267-D269 PolarHBondContact NE2-OD2 3.17Å; Q267-D269 PolarHBondContact O-N 2.91Å; D269-L271 VanDerWaalsContact C-N 3.28Å; D269-L271 PolarHBondContact O-N 3.46Å
270D52Low47.3Very low119 Ų119102.9 Ų102.964%0.63661%0.61SS**G310 helixtrans-74.1-17.8178.5-88.9-27.1000112.9Q267 F272Q267-D270 PolarHBondContact O-N 2.8Å; D270-F272 PolarHBondContact O-N 2.83Å
271L47.6Very low48.6Very low71 Ų71102 Ų10237%0.37260%0.595SS.*G310 helixtrans-71.2-12.9-179.8-166.362.2000113.2D269 M274D269-L271 VanDerWaalsContact C-N 3.28Å; D269-L271 PolarHBondContact O-N 3.46Å; L271-M274 HydrophobicContact CD1-CE 4.4Å; L271-M274 HydrophobicContact CD1-SD 3.82Å
272F48.1Very low50.2Low152 Ų152102.7 Ų102.767%0.66758%0.579SS**G310 helixtrans-104.5-10.8-175.7-71.9-80000115.1V268 D270V268-F272 WeakPolarHBondContact O-CD2 3.36Å; D270-F272 PolarHBondContact O-N 2.83Å
273D52Low50.6Low154 Ų15498.7 Ų98.782%0.82455%0.553SS**SBendtrans-97.4-1.7170.3-105.7-41.4000112.9D275D273-D275 PolarHBondContact O-N 3.18Å
274M52.6Low52Low76 Ų76102.7 Ų102.737%0.37454%0.544SS..SBendtrans-59.9134169.3-80.6167.556.700111.1L271 G278 H282L271-M274 HydrophobicContact CD1-CE 4.4Å; L271-M274 HydrophobicContact CD1-SD 3.82Å; M274-G278 VanDerWaalsContact CE-C 3.41Å; M274-G278 VanDerWaalsContact CE-O 3.29Å; M274-G278 WeakPolarHBondContact CE-O 3.29Å; M274-H282 HydrophobicContact CE-CB 4.07Å
275D63.7Low52.3Low104 Ų10499.5 Ų99.556%0.55653%0.53SS*.  trans-66.5164170.860.920.7000111.3D273 D277 G278 F279D273-D275 PolarHBondContact O-N 3.18Å; D275-D277 PolarHBondContact O-N 3Å; D275-G278 PolarHBondContact O-N 2.85Å; D275-G278 VanDerWaalsContact O-N 3.17Å; D275-G278 PolarHBondContact OD1-N 3.32Å; D275-F279 PolarHBondContact O-N 3.16Å
276W55.3Low52.8Low98 Ų9892.5 Ų92.537%0.37151%0.512SS..Hα-helixtrans-60.2-29.6-177.4178.6-92.4000112G86 F279 A280 W284G86-W276 VanDerWaalsContact CA-CH2 3.41Å; W276-F279 HydrophobicContact CE3-CD1 4.12Å; W276-F279 HydrophobicContact CH2-CD1 4.48Å; W276-F279 HydrophobicContact CH2-CE1 4.3Å; W276-F279 AromaticContact CZ3-CD1 4Å; W276-F279 HydrophobicContact CZ3-CD1 4Å; W276-F279 AromaticContact CZ3-CE1 3.96Å; W276-F279 HydrophobicContact CZ3-CE1 3.96Å; W276-A280 WeakPolarHBondContact O-CB 3.24Å; W276-A280 PolarHBondContact O-N 3.35Å; W276-W284 HydrophobicContact CZ2-CH2 4.33Å; W276-W284 HydrophobicContact CZ2-CZ3 4.38Å
277D57.7Low52.8Low120 Ų12093.5 Ų93.564%0.64251%0.511SS*.Hα-helixtrans-72.8-40.3178.7-62.3-44.4000111.1D275 A280 A281D275-D277 PolarHBondContact O-N 3Å; D277-A280 PolarHBondContact O-N 2.99Å; D277-A281 VanDerWaalsContact O-CB 3.24Å; D277-A281 WeakPolarHBondContact O-CB 3.43Å; D277-A281 PolarHBondContact O-N 2.85Å
278G63.8Low52.6Low23 Ų2395.3 Ų95.324%0.23752%0.519CS..Hα-helixtrans-65.2-41.8170.700000113.5M274 D275 A281 H282M274-G278 VanDerWaalsContact CE-C 3.41Å; M274-G278 VanDerWaalsContact CE-O 3.29Å; M274-G278 WeakPolarHBondContact CE-O 3.29Å; D275-G278 PolarHBondContact O-N 2.85Å; D275-G278 VanDerWaalsContact O-N 3.17Å; D275-G278 PolarHBondContact OD1-N 3.32Å; G278-A281 PolarHBondContact O-N 3.47Å; G278-H282 WeakPolarHBondContact O-CB 3.09Å; G278-H282 PolarHBondContact O-N 2.87Å
279F57.8Low52.2Low59 Ų5997.1 Ų97.126%0.25952%0.52SS..Hα-helixtrans-64.7-41.6174.1176-96000112.1D275 W276 H282 L283D275-F279 PolarHBondContact O-N 3.16Å; W276-F279 HydrophobicContact CE3-CD1 4.12Å; W276-F279 HydrophobicContact CH2-CD1 4.48Å; W276-F279 HydrophobicContact CH2-CE1 4.3Å; W276-F279 AromaticContact CZ3-CD1 4Å; W276-F279 HydrophobicContact CZ3-CD1 4Å; W276-F279 AromaticContact CZ3-CE1 3.96Å; W276-F279 HydrophobicContact CZ3-CE1 3.96Å; F279-H282 PolarHBondContact O-N 3.24Å; F279-L283 HydrophobicContact CD1-CD1 3.91Å; F279-L283 HydrophobicContact CD2-CD1 3.71Å; F279-L283 HydrophobicContact CE1-CD1 3.5Å; F279-L283 VanDerWaalsContact CE1-CD1 3.5Å; F279-L283 HydrophobicContact CE2-CD1 3.28Å; F279-L283 HydrophobicContact CG-CD1 4.02Å; F279-L283 HydrophobicContact CZ-CD1 3.17Å; F279-L283 WeakPolarHBondContact O-CB 3.45Å; F279-L283 PolarHBondContact O-N 3.36Å; F279-L283 VanDerWaalsContact O-N 3.11Å
280A55.6Low51.9Low18 Ų1898.6 Ų98.615%0.14953%0.528CS..Hα-helixtrans-64.8-43.2174.600000111.6W276 D277 H282 L283 W284W276-A280 WeakPolarHBondContact O-CB 3.24Å; W276-A280 PolarHBondContact O-N 3.35Å; D277-A280 PolarHBondContact O-N 2.99Å; A280-H282 VanDerWaalsContact C-N 3.33Å; A280-H282 PolarHBondContact O-N 2.99Å; A280-L283 PolarHBondContact O-N 2.97Å; A280-W284 HydrophobicContact CB-CE3 3.67Å; A280-W284 HydrophobicContact CB-CZ3 3.75Å; A280-W284 WeakPolarHBondContact O-CB 3.07Å; A280-W284 PolarHBondContact O-N 2.73Å
281A62Low51.7Low62 Ų6299.2 Ų99.251%0.51253%0.527SS..Hα-helixtrans-62.7-37.9174.600000111.9D277 G278 L283 G285D277-A281 VanDerWaalsContact O-CB 3.24Å; D277-A281 WeakPolarHBondContact O-CB 3.43Å; D277-A281 PolarHBondContact O-N 2.85Å; G278-A281 PolarHBondContact O-N 3.47Å; A281-L283 PolarHBondContact O-N 3.46Å; A281-G285 WeakPolarHBondContact O-CA 3.49Å; A281-G285 PolarHBondContact O-N 3.33Å
282H66Low51.6Low122 Ų122101.8 Ų101.857%0.56554%0.537SS*.Hα-helixtrans-70.8-28.1176.6-177.154000113.8M274 G278 F279 A280M274-H282 HydrophobicContact CE-CB 4.07Å; G278-H282 WeakPolarHBondContact O-CB 3.09Å; G278-H282 PolarHBondContact O-N 2.87Å; F279-H282 PolarHBondContact O-N 3.24Å; A280-H282 VanDerWaalsContact C-N 3.33Å; A280-H282 PolarHBondContact O-N 2.99Å
283L49Very low51.7Low57 Ų5796.5 Ų96.530%0.29852%0.519SS..Hα-helixtrans-106.9-14-172.9-74.6162.6000115.9F279 A280 A281F279-L283 HydrophobicContact CD1-CD1 3.91Å; F279-L283 HydrophobicContact CD2-CD1 3.71Å; F279-L283 HydrophobicContact CE1-CD1 3.5Å; F279-L283 VanDerWaalsContact CE1-CD1 3.5Å; F279-L283 HydrophobicContact CE2-CD1 3.28Å; F279-L283 HydrophobicContact CG-CD1 4.02Å; F279-L283 HydrophobicContact CZ-CD1 3.17Å; F279-L283 WeakPolarHBondContact O-CB 3.45Å; F279-L283 PolarHBondContact O-N 3.36Å; F279-L283 VanDerWaalsContact O-N 3.11Å; A280-L283 PolarHBondContact O-N 2.97Å; A281-L283 PolarHBondContact O-N 3.46Å
284W61.7Low51.7Low161 Ų16190.9 Ų90.961%0.6149%0.494SS*.Hα-helixtrans-127.7-11.8173.3-64.9-59.6000113.2W276 A280 G286W276-W284 HydrophobicContact CZ2-CH2 4.33Å; W276-W284 HydrophobicContact CZ2-CZ3 4.38Å; A280-W284 HydrophobicContact CB-CE3 3.67Å; A280-W284 HydrophobicContact CB-CZ3 3.75Å; A280-W284 WeakPolarHBondContact O-CB 3.07Å; A280-W284 PolarHBondContact O-N 2.73Å; W284-G286 PolarHBondContact O-N 3.32Å; W284-G286 VanDerWaalsContact O-N 3.16Å
285G44.3Very low51.8Low47 Ų4792.5 Ų92.549%0.48550%0.5SS..SBendtrans-70105.1160.600000108.7A281A281-G285 WeakPolarHBondContact O-CA 3.49Å; A281-G285 PolarHBondContact O-N 3.33Å
286G40.9Very low51.2Low53 Ų5392.8 Ų92.855%0.54650%0.502SS..  trans-59.8164.8166.600000111.5W284 E288W284-G286 PolarHBondContact O-N 3.32Å; W284-G286 VanDerWaalsContact O-N 3.16Å; G286-E288 PolarHBondContact O-N 3.01Å
287P41.7Very low51.2Low114 Ų11497.2 Ų97.274%0.7452%0.518SS*.SBendtrans-60.4136.9-173.228.3-36.1000110.8Q289P287-Q289 VanDerWaalsContact C-N 3.25Å; P287-Q289 WeakPolarHBondContact O-CG 3.47Å; P287-Q289 PolarHBondContact O-N 3.08Å
288E39.8Very low51.2Low170 Ų17097.9 Ų97.979%0.79452%0.518SS*.  trans5.364.6166.5-67.7177.4107.800116.2G286 D290G286-E288 PolarHBondContact O-N 3.01Å; E288-D290 PolarHBondContact O-N 3.17Å
289Q36.8Very low50.9Low151 Ų15199.8 Ų99.871%0.70653%0.531SS*.THydrogen-bonded Turntrans-83.917.3-179.1-97.1-169.8-3.800112.8P287 S293P287-Q289 VanDerWaalsContact C-N 3.25Å; P287-Q289 WeakPolarHBondContact O-CG 3.47Å; P287-Q289 PolarHBondContact O-N 3.08Å; Q289-S293 WeakPolarHBondContact O-CB 3.14Å; Q289-S293 PolarHBondContact O-OG 2.58Å
290D40.6Very low50.7Low140 Ų14099.5 Ų99.575%0.74954%0.539SS*.THydrogen-bonded Turntrans-103.2-11.3173.3-78.8-41000113.8E288 A294E288-D290 PolarHBondContact O-N 3.17Å; D290-A294 WeakPolarHBondContact O-CB 3.29Å
291E47.8Very low50.7Low132 Ų132105 Ų10562%0.61756%0.562SS**THydrogen-bonded Turntrans-93.2-49.9170.3-66.6-146.5134.900112.2S293 A294 Q295E291-S293 PolarHBondContact O-N 2.85Å; E291-A294 PolarHBondContact O-N 3.47Å; E291-Q295 WeakPolarHBondContact O-CB 3.44Å; E291-Q295 VanDerWaalsContact O-CG 3.29Å; E291-Q295 WeakPolarHBondContact O-CG 3.09Å; E291-Q295 PolarHBondContact O-N 3.33Å
292H46.4Very low50.4Low125 Ų125106.3 Ų106.358%0.57957%0.565SS**Hα-helixtrans-73.8-27.3-178.3-156.7-90.4000113L296H292-L296 WeakPolarHBondContact O-CB 3.39Å; H292-L296 PolarHBondContact O-N 2.95Å
293S50.8Low49.7Very low40 Ų40106.7 Ų106.728%0.2857%0.571SS.*Hα-helixtrans-78.5-30.2172.280.20000112.4Q289 E291 R297Q289-S293 WeakPolarHBondContact O-CB 3.14Å; Q289-S293 PolarHBondContact O-OG 2.58Å; E291-S293 PolarHBondContact O-N 2.85Å; S293-R297 WeakPolarHBondContact O-CB 3.35Å; S293-R297 WeakPolarHBondContact O-CG 3.39Å; S293-R297 PolarHBondContact O-N 2.93Å
294A52.2Low49.9Very low37 Ų37111.5 Ų111.531%0.30659%0.591SS.*Hα-helixtrans-69.2-40.1169.600000111.3D290 E291 R297 Q298D290-A294 WeakPolarHBondContact O-CB 3.29Å; E291-A294 PolarHBondContact O-N 3.47Å; A294-R297 PolarHBondContact O-N 2.83Å; A294-Q298 WeakPolarHBondContact O-CB 3.2Å; A294-Q298 WeakPolarHBondContact O-CG 3.34Å; A294-Q298 PolarHBondContact O-N 3.17Å
295Q53.9Low49.7Very low109 Ų109108.9 Ų108.951%0.50959%0.593SS.*Hα-helixtrans-66.2-39.7173.1-72.2172.321.300112E291 R297 Q298 A299E291-Q295 WeakPolarHBondContact O-CB 3.44Å; E291-Q295 VanDerWaalsContact O-CG 3.29Å; E291-Q295 WeakPolarHBondContact O-CG 3.09Å; E291-Q295 PolarHBondContact O-N 3.33Å; Q295-R297 VanDerWaalsContact C-N 3.35Å; Q295-Q298 PolarHBondContact O-N 3.43Å; Q295-A299 WeakPolarHBondContact O-CB 3.4Å; Q295-A299 PolarHBondContact O-N 2.82Å
296L51.3Low50.2Low111 Ų111109.3 Ų109.358%0.58159%0.592SS**Hα-helixtrans-67.1-31.5172.2-86.4162.2000113.2H292 A300H292-L296 WeakPolarHBondContact O-CB 3.39Å; H292-L296 PolarHBondContact O-N 2.95Å; L296-A300 WeakPolarHBondContact O-CB 3.43Å; L296-A300 PolarHBondContact O-N 3.29Å
297R55.1Low50.8Low190 Ų190109.6 Ų109.672%0.71759%0.589SS**Hα-helixtrans-71.6-44.5171.5-79.5174.4168.4161-1.4112.1S293 A294 Q295 A299 A300 E301S293-R297 WeakPolarHBondContact O-CB 3.35Å; S293-R297 WeakPolarHBondContact O-CG 3.39Å; S293-R297 PolarHBondContact O-N 2.93Å; A294-R297 PolarHBondContact O-N 2.83Å; Q295-R297 VanDerWaalsContact C-N 3.35Å; R297-A299 VanDerWaalsContact C-N 3.27Å; R297-A299 PolarHBondContact O-N 3.38Å; R297-A300 PolarHBondContact O-N 3.07Å; R297-E301 PolarHBondContact O-N 3.08Å
298Q57.9Low51.4Low135 Ų135107.1 Ų107.163%0.63158%0.579SS**Hα-helixtrans-64.6-29.3174.1-73.5175.7-6.200112.6A294 Q295 P302A294-Q298 WeakPolarHBondContact O-CB 3.2Å; A294-Q298 WeakPolarHBondContact O-CG 3.34Å; A294-Q298 PolarHBondContact O-N 3.17Å; Q295-Q298 PolarHBondContact O-N 3.43Å; Q298-P302 WeakPolarHBondContact O-CD 3.45Å
299A56.8Low52Low63 Ų63101.8 Ų101.852%0.52156%0.563SS.*THydrogen-bonded Turntrans-79.7-14.3172.900000114Q295 R297 P302Q295-A299 WeakPolarHBondContact O-CB 3.4Å; Q295-A299 PolarHBondContact O-N 2.82Å; R297-A299 VanDerWaalsContact C-N 3.27Å; R297-A299 PolarHBondContact O-N 3.38Å; A299-P302 WeakPolarHBondContact O-CD 3.46Å
300A53.2Low52.8Low52 Ų5297.1 Ų97.143%0.4355%0.551SS.*THydrogen-bonded Turntrans-91-28.1175.500000113.4L296 R297 L303 E304L296-A300 WeakPolarHBondContact O-CB 3.43Å; L296-A300 PolarHBondContact O-N 3.29Å; R297-A300 PolarHBondContact O-N 3.07Å; A300-L303 PolarHBondContact O-N 3.19Å; A300-L303 VanDerWaalsContact O-N 3.08Å; A300-E304 PolarHBondContact O-N 3.43Å
301E56Low53.3Low135 Ų13593.4 Ų93.463%0.63154%0.54SS*.Hα-helixtrans-56-32.9176.7-73.6-169.5133.200116.1R297 L303 V305R297-E301 PolarHBondContact O-N 3.08Å; E301-L303 PolarHBondContact O-N 3.49Å; E301-V305 WeakPolarHBondContact O-CG2 3.47Å; E301-V305 PolarHBondContact O-N 3.31Å
302P55.4Low53.5Low88 Ų8890.8 Ų90.857%0.57154%0.54SS*.Hα-helixtrans-74-9.2175.929.4-35.4000114.3Q298 A299 A306Q298-P302 WeakPolarHBondContact O-CD 3.45Å; A299-P302 WeakPolarHBondContact O-CD 3.46Å; P302-A306 WeakPolarHBondContact O-CB 3.38Å
303L53.2Low53.8Low131 Ų13189.6 Ų89.669%0.68654%0.542SS*.Hα-helixtrans-98.2-38.9178.3-89.3165.7000113.4A300 E301 A306 A307A300-L303 PolarHBondContact O-N 3.19Å; A300-L303 VanDerWaalsContact O-N 3.08Å; E301-L303 PolarHBondContact O-N 3.49Å; L303-A306 PolarHBondContact O-N 2.83Å; L303-A307 WeakPolarHBondContact O-CB 3.28Å; L303-A307 PolarHBondContact O-N 3.34Å
304E52.9Low53.8Low157 Ų15791.8 Ų91.873%0.73456%0.562SS**Hα-helixtrans-71-34.9175.8-73.1-146.7132.600112.7A300 A306 A307 A308A300-E304 PolarHBondContact O-N 3.43Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.47Å; E304-A307 PolarHBondContact O-N 2.88Å; E304-A308 VanDerWaalsContact O-CB 3.28Å; E304-A308 WeakPolarHBondContact O-CB 3.36Å; E304-A308 PolarHBondContact O-N 3.39Å
305V56.5Low53.5Low106 Ų10694 Ų9464%0.64258%0.581SS**Hα-helixtrans-67.9-34174.4-178.90000111.2E301 A309E301-V305 WeakPolarHBondContact O-CG2 3.47Å; E301-V305 PolarHBondContact O-N 3.31Å; V305-A309 VanDerWaalsContact O-CB 3.3Å; V305-A309 WeakPolarHBondContact O-CB 3.3Å; V305-A309 PolarHBondContact O-N 2.88Å
306A55.7Low53Low56 Ų5693.8 Ų93.846%0.46358%0.575SS.*Hα-helixtrans-71.3-39.3173.100000112.5P302 L303 E304 A309 A310P302-A306 WeakPolarHBondContact O-CB 3.38Å; L303-A306 PolarHBondContact O-N 2.83Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.47Å; A306-A309 PolarHBondContact O-N 2.86Å; A306-A310 VanDerWaalsContact O-CB 3.3Å; A306-A310 WeakPolarHBondContact O-CB 3.3Å; A306-A310 PolarHBondContact O-N 3.46Å
307A54.1Low53Low59 Ų5992.4 Ų92.449%0.48857%0.572SS.*Hα-helixtrans-68.4-38.7175.700000112.3L303 E304 A310 A311L303-A307 WeakPolarHBondContact O-CB 3.28Å; L303-A307 PolarHBondContact O-N 3.34Å; E304-A307 PolarHBondContact O-N 2.88Å; A307-A310 PolarHBondContact O-N 2.97Å; A307-A311 VanDerWaalsContact O-CB 3.32Å; A307-A311 WeakPolarHBondContact O-CB 3.4Å; A307-A311 PolarHBondContact O-N 3.04Å
308A52.7Low52.9Low63 Ų6388.9 Ų88.952%0.52157%0.573SS.*Hα-helixtrans-67-40.2173.600000111.9E304 A312E304-A308 VanDerWaalsContact O-CB 3.28Å; E304-A308 WeakPolarHBondContact O-CB 3.36Å; E304-A308 PolarHBondContact O-N 3.39Å; A308-A312 WeakPolarHBondContact O-CB 3.32Å; A308-A312 PolarHBondContact O-N 3.01Å
309A53.6Low52.8Low57 Ų5788.5 Ų88.547%0.47158%0.576SS.*Hα-helixtrans-64.1-41.6172.500000112V305 A306 A312 T313V305-A309 VanDerWaalsContact O-CB 3.3Å; V305-A309 WeakPolarHBondContact O-CB 3.3Å; V305-A309 PolarHBondContact O-N 2.88Å; A306-A309 PolarHBondContact O-N 2.86Å; A309-A312 PolarHBondContact O-N 3.39Å; A309-T313 PolarHBondContact O-N 3.2Å; A309-T313 PolarHBondContact O-OG1 2.92Å; A309-T313 VanDerWaalsContact O-OG1 3.04Å
310A52.6Low52.8Low53 Ų5389.1 Ų89.144%0.43857%0.571SS.*Hα-helixtrans-65.3-43.7176.600000112.3A306 A307 T313 A314A306-A310 VanDerWaalsContact O-CB 3.3Å; A306-A310 WeakPolarHBondContact O-CB 3.3Å; A306-A310 PolarHBondContact O-N 3.46Å; A307-A310 PolarHBondContact O-N 2.97Å; A310-T313 WeakPolarHBondContact CA-OG1 3.39Å; A310-T313 PolarHBondContact O-N 3.06Å; A310-T313 PolarHBondContact O-OG1 3.42Å; A310-A314 WeakPolarHBondContact O-CB 3.32Å; A310-A314 PolarHBondContact O-N 2.89Å
311A52.2Low52.9Low63 Ų6394.2 Ų94.252%0.52158%0.579SS.*Hα-helixtrans-64.5-38.3175.800000112.3A307 T313 A314 A315A307-A311 VanDerWaalsContact O-CB 3.32Å; A307-A311 WeakPolarHBondContact O-CB 3.4Å; A307-A311 PolarHBondContact O-N 3.04Å; A311-T313 VanDerWaalsContact C-N 3.31Å; A311-T313 PolarHBondContact O-N 3.46Å; A311-A314 PolarHBondContact O-N 3.3Å; A311-A315 PolarHBondContact O-N 3.47Å
312A51.1Low53Low76 Ų7695.3 Ų95.363%0.62858%0.584SS**Hα-helixtrans-66.9-28.6173.500000113.2A308 A309A308-A312 WeakPolarHBondContact O-CB 3.32Å; A308-A312 PolarHBondContact O-N 3.01Å; A309-A312 PolarHBondContact O-N 3.39Å
313T53.1Low53.2Low100 Ų10096.4 Ų96.461%0.61358%0.584SS**Hα-helixtrans-84.4-21.3171.843.80000114.8A309 A310 A311A309-T313 PolarHBondContact O-N 3.2Å; A309-T313 PolarHBondContact O-OG1 2.92Å; A309-T313 VanDerWaalsContact O-OG1 3.04Å; A310-T313 WeakPolarHBondContact CA-OG1 3.39Å; A310-T313 PolarHBondContact O-N 3.06Å; A310-T313 PolarHBondContact O-OG1 3.42Å; A311-T313 VanDerWaalsContact C-N 3.31Å; A311-T313 PolarHBondContact O-N 3.46Å
314A50.4Low53.5Low86 Ų8695.2 Ų95.271%0.71158%0.575SS**Hα-helixtrans-82.5-15.7179.800000113.8A310 A311 R316A310-A314 WeakPolarHBondContact O-CB 3.32Å; A310-A314 PolarHBondContact O-N 2.89Å; A311-A314 PolarHBondContact O-N 3.3Å; A314-R316 VanDerWaalsContact C-N 3.34Å
315A45.1Very low54Low84 Ų8490.4 Ų90.469%0.69456%0.562SS**THydrogen-bonded Turntrans-87.65.2177.600000114.3A311 T317A311-A315 PolarHBondContact O-N 3.47Å; A315-T317 PolarHBondContact O-N 3.37Å
316R44.8Very low54.3Low104 Ų10491 Ų9139%0.39256%0.556SS.*  trans-90106.3-178.7-170.3161.4171.3164.4-4.9110.5A314 E324A314-R316 VanDerWaalsContact C-N 3.34Å; R316-E324 IonicContact CZ-OE2 3.93Å; R316-E324 IonicContact NH1-OE2 3.28Å; R316-E324 IonicContact NH2-OE1 3.32Å; R316-E324 PolarHBondContact NH2-OE1 2.69Å; R316-E324 IonicContact NH2-OE2 2.9Å; R316-E324 PolarHBondContact NH2-OE2 2.68Å
317T51.4Low54.6Low82 Ų8294.2 Ų94.250%0.50356%0.562SS.*  trans-55.5150.1-178.522.10000113.5A315 D319 D320A315-T317 PolarHBondContact O-N 3.37Å; T317-D319 VanDerWaalsContact C-N 3.27Å; T317-D319 PolarHBondContact O-N 3.18Å; T317-D320 PolarHBondContact OG1-OD2 3.18Å
318P52.7Low55.3Low116 Ų11695.8 Ų95.875%0.75357%0.566SS**THydrogen-bonded Turntrans-66.8-19.6-176.3-22.334.9000115.7
319D55.8Low56.2Low128 Ų128100.9 Ų100.968%0.68457%0.571SS**THydrogen-bonded Turntrans-73.6-35-178.2-86.5-86.8000113.8T317 R321 E322T317-D319 VanDerWaalsContact C-N 3.27Å; T317-D319 PolarHBondContact O-N 3.18Å; D319-R321 PolarHBondContact O-N 3.28Å; D319-E322 PolarHBondContact O-N 3.36Å
320D56Low56.8Low76 Ų76103 Ų10341%0.40657%0.574SS.*Hα-helixtrans-80.11.1-171.4-52.9-77.6000114.1T317T317-D320 PolarHBondContact OG1-OD2 3.18Å
321R56.8Low57.4Low159 Ų159107.4 Ų107.460%0.659%0.59SS**Hα-helixtrans-99.5-23.3176.3-100-176.8168.7128.7-4113.8D319 A325D319-R321 PolarHBondContact O-N 3.28Å; R321-A325 VanDerWaalsContact O-CB 3.31Å; R321-A325 WeakPolarHBondContact O-CB 3.31Å; R321-A325 PolarHBondContact O-N 3.49Å
322E57.8Low58.1Low158 Ų158109.2 Ų109.274%0.73860%0.598SS**Hα-helixtrans-77.3-33172.7-64.8-159.1149.600111.3D319 A325 F326D319-E322 PolarHBondContact O-N 3.36Å; E322-A325 PolarHBondContact O-N 3.31Å; E322-F326 VanDerWaalsContact O-CB 3.27Å; E322-F326 WeakPolarHBondContact O-CB 3.45Å; E322-F326 PolarHBondContact O-N 3.16Å
323L58.3Low58.3Low111 Ų111111.5 Ų111.558%0.58160%0.6SS**Hα-helixtrans-71-44.4177.8-66.4174.4000113.1A325 F326 E327L323-A325 VanDerWaalsContact C-N 3.3Å; L323-A325 PolarHBondContact O-N 2.73Å; L323-F326 PolarHBondContact O-N 2.87Å; L323-E327 PolarHBondContact O-N 3.18Å
324E59.1Low58.6Low106 Ų106112.2 Ų112.250%0.49561%0.609SS.*Hα-helixtrans-66.6-31.2174.1-76.6-175.8-173.400112.3R316 T328R316-E324 IonicContact CZ-OE2 3.93Å; R316-E324 IonicContact NH1-OE2 3.28Å; R316-E324 IonicContact NH2-OE1 3.32Å; R316-E324 PolarHBondContact NH2-OE1 2.69Å; R316-E324 IonicContact NH2-OE2 2.9Å; R316-E324 PolarHBondContact NH2-OE2 2.68Å; E324-T328 WeakPolarHBondContact O-CB 3.33Å; E324-T328 WeakPolarHBondContact O-CG2 3.27Å; E324-T328 PolarHBondContact O-N 2.9Å; E324-T328 PolarHBondContact O-OG1 3.42Å
325A65Low58.4Low56 Ų56121.6 Ų121.646%0.46363%0.634SS.*Hα-helixtrans-70.2-34.5172.300000112.2R321 E322 L323 T328 W329R321-A325 VanDerWaalsContact O-CB 3.31Å; R321-A325 WeakPolarHBondContact O-CB 3.31Å; R321-A325 PolarHBondContact O-N 3.49Å; E322-A325 PolarHBondContact O-N 3.31Å; L323-A325 VanDerWaalsContact C-N 3.3Å; L323-A325 PolarHBondContact O-N 2.73Å; A325-T328 PolarHBondContact O-OG1 3.49Å; A325-W329 WeakPolarHBondContact O-CB 3.41Å; A325-W329 PolarHBondContact O-N 3.04Å; A325-W329 VanDerWaalsContact O-N 3.16Å
326F62Low59Low118 Ų118123.5 Ų123.552%0.51863%0.631SS.*Hα-helixtrans-72.1-41.4175.5-168.9-113.7000111.9E322 L323 W329 L330E322-F326 VanDerWaalsContact O-CB 3.27Å; E322-F326 WeakPolarHBondContact O-CB 3.45Å; E322-F326 PolarHBondContact O-N 3.16Å; L323-F326 PolarHBondContact O-N 2.87Å; F326-W329 HydrophobicContact CD2-CE3 4.48Å; F326-W329 HydrophobicContact CE2-CE3 4.43Å; F326-W329 HydrophobicContact CE2-CZ3 4.48Å; F326-W329 PolarHBondContact O-N 2.77Å; F326-L330 HydrophobicContact CD1-CD1 3.64Å; F326-L330 HydrophobicContact CE1-CD1 3.39Å; F326-L330 HydrophobicContact CG-CD1 4.32Å; F326-L330 HydrophobicContact CZ-CD1 3.87Å; F326-L330 WeakPolarHBondContact O-CB 3.45Å; F326-L330 PolarHBondContact O-N 3.38Å
327E62.8Low59.8Low124 Ų124124.5 Ų124.558%0.57964%0.644SS**Hα-helixtrans-67.6-40176.1-73.3-171.8162.200112.6L323 W329 L330 L331L323-E327 PolarHBondContact O-N 3.18Å; E327-W329 VanDerWaalsContact C-N 3.33Å; E327-W329 PolarHBondContact O-N 3.29Å; E327-L330 PolarHBondContact O-N 3.34Å; E327-L331 WeakPolarHBondContact O-CB 3.37Å; E327-L331 WeakPolarHBondContact O-CG 3.35Å; E327-L331 PolarHBondContact O-N 3.42Å
328T67.3Low60.3Low92 Ų92126.9 Ų126.956%0.56465%0.652SS**Hα-helixtrans-70.8-27.7176.148.40000113.3E324 A325 S332E324-T328 WeakPolarHBondContact O-CB 3.33Å; E324-T328 WeakPolarHBondContact O-CG2 3.27Å; E324-T328 PolarHBondContact O-N 2.9Å; E324-T328 PolarHBondContact O-OG1 3.42Å; A325-T328 PolarHBondContact O-OG1 3.49Å; T328-S332 WeakPolarHBondContact O-CB 3.35Å; T328-S332 PolarHBondContact O-OG 2.99Å
329W71.9Confident60.7Low170 Ų170127.5 Ų127.564%0.64465%0.646SS**Hα-helixtrans-71.8-45.9169.4-173.169.6000111.7A325 F326 E327 L331 S332A325-W329 WeakPolarHBondContact O-CB 3.41Å; A325-W329 PolarHBondContact O-N 3.04Å; A325-W329 VanDerWaalsContact O-N 3.16Å; F326-W329 HydrophobicContact CD2-CE3 4.48Å; F326-W329 HydrophobicContact CE2-CE3 4.43Å; F326-W329 HydrophobicContact CE2-CZ3 4.48Å; F326-W329 PolarHBondContact O-N 2.77Å; E327-W329 VanDerWaalsContact C-N 3.33Å; E327-W329 PolarHBondContact O-N 3.29Å; W329-L331 VanDerWaalsContact C-N 3.3Å; W329-L331 PolarHBondContact O-N 2.91Å; W329-S332 PolarHBondContact O-N 3.5Å
330L66.8Low61Low100 Ų100127.5 Ų127.552%0.52464%0.643SS.*Hα-helixtrans-62.1-30.3176.8-95.4160.4000114.6F326 E327F326-L330 HydrophobicContact CD1-CD1 3.64Å; F326-L330 HydrophobicContact CE1-CD1 3.39Å; F326-L330 HydrophobicContact CG-CD1 4.32Å; F326-L330 HydrophobicContact CZ-CD1 3.87Å; F326-L330 WeakPolarHBondContact O-CB 3.45Å; F326-L330 PolarHBondContact O-N 3.38Å; E327-L330 PolarHBondContact O-N 3.34Å
331L64.4Low61.4Low147 Ų147130.9 Ų130.977%0.7766%0.659SS**THydrogen-bonded Turntrans-91.3-3.7-178.8-72.1166.9000114.1E327 W329E327-L331 WeakPolarHBondContact O-CB 3.37Å; E327-L331 WeakPolarHBondContact O-CG 3.35Å; E327-L331 PolarHBondContact O-N 3.42Å; W329-L331 VanDerWaalsContact C-N 3.3Å; W329-L331 PolarHBondContact O-N 2.91Å
332S68.3Low61.7Low100 Ų100128.9 Ų128.970%0.69966%0.663SS**THydrogen-bonded Turntrans-106.6-7.6-178.8-58.50000114.2T328 W329T328-S332 WeakPolarHBondContact O-CB 3.35Å; T328-S332 PolarHBondContact O-OG 2.99Å; W329-S332 PolarHBondContact O-N 3.5Å
333D54.3Low62Low124 Ų124126.7 Ų126.766%0.66366%0.658SS**  trans-105.686.9179.3-137.9-22.6000110
334S58.9Low62.3Low115 Ų115128 Ų12880%0.80466%0.664SS**  trans-133.6133.8168-80.80000110.3
335F46.7Very low62.6Low284 Ų284130 Ų130100%1.24668%0.679SS**  trans-670-169.3-136.5-92.2000114.4

Retrieved 335 of 335 residues in 115.9 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).