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Cyclin-K

Regulatory subunit of cyclin-dependent kinases that mediates activation of target kinases. Plays a role in transcriptional regulation via its role in regulating the phosphorylation of the C-terminal domain (CTD) of the large subunit of RNA polymerase II (POLR2A).

AlphaFold DB (O75909), UniProt , Accession A0A096NJP9, Species PAPAN (Papio anubis, Olive baboon), Gene CCNK, Length 580 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.2Very low40.3Very low242 Ų242154.1 Ų154.1100%1.19283%0.828SS**  0140.80-90.5175.5161.400108.4
2K39.2Very low40.2Very low201 Ų201152.7 Ų152.787%0.87483%0.828SS**  trans57123.3172.5-77.8-170.2168.7-175.60119.2
3E38.7Very low40.1Very low169 Ų169151.1 Ų151.179%0.7983%0.826SS**  trans-64.4149.5178.8-51.5104.910900115.4
4N41.3Very low39.8Very low155 Ų155148.4 Ų148.483%0.82982%0.824SS**  trans176.6151.6132.8-95.7-26.4000108
5K43Very low40Very low147 Ų147143.8 Ų143.864%0.63981%0.813SS**  cis-168158.8-7.7166.2172.3161.9-173.50107.8
6E41.1Very low39.7Very low152 Ų152144.2 Ų144.271%0.7181%0.812SS**  trans55.8114.4166-79.4156.9-178.900119.5
7N40.2Very low40Very low162 Ų162139.8 Ų139.887%0.86679%0.786SS**  -162.8120.2103-126.34.5000111.4
8S41.3Very low40.3Very low119 Ų119136.9 Ų136.983%0.83277%0.769SS**PPolyproline II helixtrans-103.5136.9174.9-680000110.3
9S40.9Very low41.1Very low114 Ų114138.3 Ų138.380%0.79777%0.768SS**PPolyproline II helixtrans-69148.4-178-650000112.4S11S9-S11 PolarHBondContact O-N 3.13Å
10P39.5Very low42.5Very low126 Ų126137.2 Ų137.282%0.81877%0.765SS**PPolyproline II helixtrans-65.3132.5177.427.7-34.6000110.9
11S35.5Very low44.2Very low108 Ų108137 Ų13776%0.75576%0.756SS**PPolyproline II helixtrans-73.7131.5179.633.50000111.8S9 T13S9-S11 PolarHBondContact O-N 3.13Å; S11-T13 PolarHBondContact O-N 3.05Å
12V38.8Very low46.4Very low137 Ų137127.3 Ų127.383%0.8371%0.712SS**PPolyproline II helixtrans-67.1117.3172.5178.20000108.9S14V12-S14 PolarHBondContact O-N 3.31Å; V12-S14 VanDerWaalsContact O-N 3.09Å
13T39.3Very low49Very low132 Ų132122 Ų12281%0.8170%0.699SS**  trans-77.791.8177.934.90000110.9S11 A15S11-T13 PolarHBondContact O-N 3.05Å; T13-A15 PolarHBondContact O-N 3.4Å; T13-A15 VanDerWaalsContact O-N 3.11Å
14S35.5Very low51.8Low113 Ų113114.5 Ų114.579%0.7966%0.663SS**  trans-52.4115.6172.1-59.30000111.3V12 N16V12-S14 PolarHBondContact O-N 3.31Å; V12-S14 VanDerWaalsContact O-N 3.09Å; S14-N16 PolarHBondContact O-N 3.05Å
15A42Very low54.5Low80 Ų80111.2 Ų111.266%0.66164%0.64SS**  trans-63.7124.7172.300000109.4T13 L17T13-A15 PolarHBondContact O-N 3.4Å; T13-A15 VanDerWaalsContact O-N 3.11Å; A15-L17 PolarHBondContact O-N 2.86Å
16N36.7Very low57.1Low150 Ų150106.6 Ų106.680%0.80262%0.618SS**  trans-74.691.5-178.7-167.2-5.6000110S14 D18S14-N16 PolarHBondContact O-N 3.05Å; N16-D18 PolarHBondContact O-N 2.83Å
17L43.9Very low59.7Low69 Ų69102.9 Ų102.936%0.36160%0.603SS.*  trans-72.5113.8169.2-87.586.2000109.3A15 H19 W578A15-L17 PolarHBondContact O-N 2.86Å; L17-H19 WeakPolarHBondContact CB-CE1 3.46Å; L17-H19 WeakPolarHBondContact CB-ND1 3.41Å; L17-H19 PolarHBondContact O-N 2.72Å; L17-H19 PolarHBondContact O-ND1 2.71Å; L17-W578 HydrophobicContact CD2-CZ2 3.92Å
18D46.4Very low62.2Low89 Ų8999.8 Ų99.848%0.47658%0.582SS.*  trans-68.677.2168.8-173.910.1000110.7N16 T20N16-D18 PolarHBondContact O-N 2.83Å; D18-T20 PolarHBondContact O-N 3Å; D18-T20 WeakPolarHBondContact OD1-CB 3.42Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.32Å; D18-T20 PolarHBondContact OD1-N 3.1Å; D18-T20 PolarHBondContact OD1-OG1 2.91Å
19H54.8Low64.8Low162 Ų162100.9 Ų100.975%0.7557%0.572SS**THydrogen-bonded Turntrans-65.32.7178-75.380.7000113.4L17L17-H19 WeakPolarHBondContact CB-CE1 3.46Å; L17-H19 WeakPolarHBondContact CB-ND1 3.41Å; L17-H19 PolarHBondContact O-N 2.72Å; L17-H19 PolarHBondContact O-ND1 2.71Å
20T68.9Low67.4Low116 Ų11699 Ų9971%0.71255%0.553SS**THydrogen-bonded Turntrans-78.7-24.3-179.272.10000112.9D18D18-T20 PolarHBondContact O-N 3Å; D18-T20 WeakPolarHBondContact OD1-CB 3.42Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.32Å; D18-T20 PolarHBondContact OD1-N 3.1Å; D18-T20 PolarHBondContact OD1-OG1 2.91Å
21K79.3Confident70.1Confident133 Ų13394 Ų9458%0.57852%0.519SS*.SBendtrans-91.9136.2-177.1-66.8-162.2175.4-161.60112.8
22P88.2Confident73Confident40 Ų4091.2 Ų91.226%0.2650%0.502SS..PPolyproline II helixtrans-70.8145.5174.328.8-33.8000112.1W24 K152 D154P22-W24 HydrophobicContact CB-CZ2 4.18Å; P22-W24 HydrophobicContact CG-CZ2 3.64Å; P22-K152 HydrophobicContact CB-CD 3.61Å; P22-K152 HydrophobicContact CG-CB 4.46Å; P22-K152 HydrophobicContact CG-CD 3.84Å; P22-D154 HydrophobicContact CG-CB 4.3Å
23C94Very high75.8Confident90 Ų9090.5 Ų90.561%0.60849%0.49SS*.PPolyproline II helixtrans-71.7145.1164.3-168.10000110.7
24W97.4Very high78.6Confident11 Ų1184.3 Ų84.34%0.04245%0.452CS..  trans-130.217.6178-62.4112.6000113.3P22 W26 R80 F84 I151 K152 D154P22-W24 HydrophobicContact CB-CZ2 4.18Å; P22-W24 HydrophobicContact CG-CZ2 3.64Å; W24-W26 HydrophobicContact CB-CZ3 4.43Å; W24-W26 AromaticContact CE3-CH2 3.77Å; W24-W26 HydrophobicContact CE3-CH2 3.77Å; W24-W26 HydrophobicContact CE3-CZ3 4.23Å; W24-W26 HydrophobicContact CZ3-CH2 4.31Å; W24-W26 WeakPolarHBondContact O-CZ3 3.42Å; W24-R80 VanDerWaalsContact CD1-NH2 3.34Å; W24-R80 HydrophobicContact CD2-CG 4.34Å; W24-R80 HydrophobicContact CE3-CB 4.26Å; W24-R80 HydrophobicContact CE3-CG 3.86Å; W24-R80 HydrophobicContact CZ3-CB 4.3Å; W24-R80 HydrophobicContact CZ3-CG 4.37Å; W24-R80 VanDerWaalsContact NE1-NH1 3.18Å; W24-F84 AromaticContact CZ3-CE2 3.79Å; W24-F84 HydrophobicContact CZ3-CE2 3.79Å; W24-F84 HydrophobicContact CZ3-CZ 4.24Å; W24-I151 HydrophobicContact CH2-CB 4.49Å; W24-I151 VanDerWaalsContact CZ2-O 3.3Å; W24-I151 WeakPolarHBondContact CZ2-O 3.43Å; W24-K152 HydrophobicContact CH2-CB 4.42Å; W24-K152 HydrophobicContact CH2-CD 3.76Å; W24-K152 HydrophobicContact CH2-CG 4.03Å; W24-K152 HydrophobicContact CZ2-CB 4.29Å; W24-K152 HydrophobicContact CZ2-CD 3.94Å; W24-K152 HydrophobicContact CZ2-CG 4.32Å; W24-D154 HydrophobicContact CZ2-CB 4.12Å; W24-D154 PolarHBondContact NE1-OD2 2.95Å
25Y97.8Very high81.6Confident85 Ų8580.3 Ų80.333%0.33342%0.423SS..  trans-112.5143.8175.1-53.6-58.8000109.6L199 W201 E202Y25-L199 CarbonylContact C-O 3.03Å; Y25-L199 WeakPolarHBondContact CA-O 3.49Å; Y25-W201 WeakPolarHBondContact CE1-O 3.08Å; Y25-E202 HydrophobicContact CE2-CG 3.89Å
26W98Very high84.3Confident51 Ų5176.5 Ų76.519%0.19339%0.392CS..  trans-138142.7-170.2-80-81.4000110.3W24 D30 L31 M83 F84 L199W24-W26 HydrophobicContact CB-CZ3 4.43Å; W24-W26 AromaticContact CE3-CH2 3.77Å; W24-W26 HydrophobicContact CE3-CH2 3.77Å; W24-W26 HydrophobicContact CE3-CZ3 4.23Å; W24-W26 HydrophobicContact CZ3-CH2 4.31Å; W24-W26 WeakPolarHBondContact O-CZ3 3.42Å; W26-D30 HydrophobicContact CB-CB 4.11Å; W26-D30 HydrophobicContact CG-CB 4.3Å; W26-L31 HydrophobicContact CB-CG 4.45Å; W26-M83 HydrophobicContact CB-CE 4.45Å; W26-M83 HydrophobicContact CD2-CE 3.84Å; W26-M83 HydrophobicContact CD2-CG 4.26Å; W26-M83 HydrophobicContact CE3-CE 4.49Å; W26-M83 HydrophobicContact CE3-CG 4.13Å; W26-M83 HydrophobicContact CG-CE 3.83Å; W26-M83 HydrophobicContact CH2-CB 3.65Å; W26-M83 HydrophobicContact CH2-CG 3.7Å; W26-M83 HydrophobicContact CZ2-CB 3.55Å; W26-M83 HydrophobicContact CZ2-CE 4.42Å; W26-M83 HydrophobicContact CZ2-CG 3.88Å; W26-M83 HydrophobicContact CZ3-CB 4.34Å; W26-M83 HydrophobicContact CZ3-CG 3.87Å; W26-F84 AromaticContact CH2-CE2 3.9Å; W26-F84 HydrophobicContact CH2-CE2 3.9Å; W26-F84 HydrophobicContact CH2-CZ 4.31Å; W26-F84 AromaticContact CZ2-CE2 3.83Å; W26-F84 HydrophobicContact CZ2-CE2 3.83Å; W26-F84 AromaticContact CZ2-CZ 3.89Å; W26-F84 HydrophobicContact CZ2-CZ 3.89Å; W26-L199 HydrophobicContact CE3-CB 4.03Å; W26-L199 HydrophobicContact CE3-CD2 4.18Å; W26-L199 HydrophobicContact CZ3-CD2 3.8Å; W26-L199 PolarHBondContact N-O 3.33Å
27D95.3Very high87.2Confident73 Ų7371.2 Ų71.239%0.3936%0.362SS..  trans-71.3157.5175.9-164.511000110K29 D30 L31D27-K29 PolarHBondContact O-N 2.98Å; D27-K29 IonicContact OD2-NZ 2.71Å; D27-K29 PolarHBondContact OD2-NZ 3.03Å; D27-D30 PolarHBondContact N-OD2 3.15Å; D27-D30 WeakPolarHBondContact O-CB 3.47Å; D27-D30 PolarHBondContact O-N 3.09Å; D27-L31 PolarHBondContact O-N 3.27Å; D27-L31 VanDerWaalsContact O-N 3.14Å
28K93.8Very high89.8Confident97 Ų9773.9 Ų73.942%0.42238%0.376SS..THydrogen-bonded Turntrans-58.5-24.9174.8-73-168.9175.4-166.60112.7A32 D249K28-A32 PolarHBondContact O-N 2.85Å; K28-D249 WeakPolarHBondContact CE-OD2 3.34Å; K28-D249 IonicContact NZ-OD1 3.45Å; K28-D249 PolarHBondContact NZ-OD1 3.44Å; K28-D249 IonicContact NZ-OD2 2.71Å; K28-D249 PolarHBondContact NZ-OD2 3.36Å
29K95Very high92.2Very high142 Ų14273.3 Ų73.362%0.61737%0.371SS*.THydrogen-bonded Turntrans-68.8-38.6173.7-56-173.4-159.991.30111.7D27 A32 H33D27-K29 PolarHBondContact O-N 2.98Å; D27-K29 IonicContact OD2-NZ 2.71Å; D27-K29 PolarHBondContact OD2-NZ 3.03Å; K29-A32 WeakPolarHBondContact O-CB 3.27Å; K29-A32 PolarHBondContact O-N 3.49Å; K29-H33 PolarHBondContact O-ND1 2.94Å
30D95.9Very high94.2Very high74 Ų7468.4 Ų68.440%0.39636%0.364SS..G310 helixtrans-71.9-35.7178.5-52-35.8000110.9W26 D27 A32 H33W26-D30 HydrophobicContact CB-CB 4.11Å; W26-D30 HydrophobicContact CG-CB 4.3Å; D27-D30 PolarHBondContact N-OD2 3.15Å; D27-D30 WeakPolarHBondContact O-CB 3.47Å; D27-D30 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact O-N 3.02Å; D30-H33 CarbonylContact O-C 3.58Å; D30-H33 WeakPolarHBondContact O-CA 3.19Å; D30-H33 PolarHBondContact O-N 3.47Å
31L96.6Very high95.6Very high23 Ų2364 Ų6412%0.1234%0.335CS..G310 helixtrans-67-10172.8-67.4173.3000114W26 D27 T34 Q37 M83 T196 L199 Q200W26-L31 HydrophobicContact CB-CG 4.45Å; D27-L31 PolarHBondContact O-N 3.27Å; D27-L31 VanDerWaalsContact O-N 3.14Å; L31-T34 WeakPolarHBondContact O-CG2 3.41Å; L31-Q37 PolarHBondContact O-NE2 3.31Å; L31-M83 HydrophobicContact CD2-CE 3.78Å; L31-M83 HydrophobicContact CD2-SD 3.69Å; L31-T196 HydrophobicContact CD2-CG2 4.19Å; L31-L199 HydrophobicContact CD2-CB 4.5Å; L31-L199 HydrophobicContact CD2-CD1 4.24Å; L31-Q200 HydrophobicContact CD1-CG 3.51Å
32A95.7Very high96.4Very high48 Ų4861.4 Ų61.440%0.39733%0.328SS..G310 helixtrans-91.2-3.1167.600000113.4K28 K29 D30 Q37K28-A32 PolarHBondContact O-N 2.85Å; K29-A32 WeakPolarHBondContact O-CB 3.27Å; K29-A32 PolarHBondContact O-N 3.49Å; D30-A32 PolarHBondContact O-N 3.02Å; A32-Q37 PolarHBondContact O-OE1 3.08Å
33H97.1Very high96.8Very high122 Ų12263.3 Ų63.357%0.56534%0.341SS*.SBendtrans-127.533.3-177.7-60.892.9000111.8K29 D30 L38K29-H33 PolarHBondContact O-ND1 2.94Å; D30-H33 CarbonylContact O-C 3.58Å; D30-H33 WeakPolarHBondContact O-CA 3.19Å; D30-H33 PolarHBondContact O-N 3.47Å; H33-L38 HydrophobicContact CB-CD2 4.47Å; H33-L38 WeakPolarHBondContact O-CD1 3.37Å
34T98.2Very high96.9Very high2 Ų262.2 Ų62.21%0.01234%0.338CS..  trans-61.3157174.977.20000110.7L31 S36 Q37 L38 E46 M83L31-T34 WeakPolarHBondContact O-CG2 3.41Å; T34-S36 PolarHBondContact O-N 3.2Å; T34-S36 PolarHBondContact OG1-N 3.23Å; T34-Q37 PolarHBondContact O-N 2.94Å; T34-Q37 PolarHBondContact OG1-N 2.78Å; T34-Q37 VanDerWaalsContact OG1-N 3.11Å; T34-L38 WeakPolarHBondContact O-CG 3.47Å; T34-L38 PolarHBondContact O-N 3.06Å; T34-E46 WeakPolarHBondContact CG2-OE2 3.42Å; T34-E46 PolarHBondContact OG1-OE2 3.05Å; T34-M83 HydrophobicContact CG2-CE 4.44Å; T34-M83 HydrophobicContact CG2-SD 4.17Å
35P98.5Very high96.9Very high30 Ų3062.4 Ų62.420%0.19534%0.34CS..Hα-helixtrans-55.2-28.4173.7-26.235.4000113.6E39 M83P35-E39 WeakPolarHBondContact O-CG 3.49Å; P35-E39 PolarHBondContact O-N 2.91Å; P35-M83 WeakPolarHBondContact CD-O 3.35Å; P35-M83 WeakPolarHBondContact CG-O 3.39Å
36S98.5Very high96.9Very high0 Ų058.6 Ų58.60%033%0.326CS..Hα-helixtrans-71.5-44175.5-58.70000112T34 E39 G40 L41 S86 F87T34-S36 PolarHBondContact O-N 3.2Å; T34-S36 PolarHBondContact OG1-N 3.23Å; S36-E39 PolarHBondContact O-N 2.82Å; S36-G40 PolarHBondContact O-N 3.31Å; S36-L41 WeakPolarHBondContact O-CB 3.15Å; S36-L41 PolarHBondContact O-N 3.39Å; S36-S86 WeakPolarHBondContact OG-CA 3.4Å; S36-F87 WeakPolarHBondContact OG-CD2 3.46Å; S36-F87 PolarHBondContact OG-N 3.27Å
37Q97.9Very high96.9Very high39 Ų3958 Ų5818%0.18233%0.331CS..Hα-helixtrans-71.4-35.1177.1-78.8168.87700112.3L31 A32 T34 E39 G40 P43 E46L31-Q37 PolarHBondContact O-NE2 3.31Å; A32-Q37 PolarHBondContact O-OE1 3.08Å; T34-Q37 PolarHBondContact O-N 2.94Å; T34-Q37 PolarHBondContact OG1-N 2.78Å; T34-Q37 VanDerWaalsContact OG1-N 3.11Å; Q37-E39 VanDerWaalsContact C-N 3.29Å; Q37-E39 PolarHBondContact O-N 3.03Å; Q37-G40 WeakPolarHBondContact O-CA 3.47Å; Q37-G40 PolarHBondContact O-N 2.69Å; Q37-P43 HydrophobicContact CG-CG 4.43Å; Q37-E46 PolarHBondContact NE2-OE2 3.22Å
38L97.7Very high97Very high124 Ų12458.1 Ų58.165%0.64933%0.326SS*.Hα-helixtrans-64.1-31.1173.1-67.6174.8000112.8H33 T34 G40H33-L38 HydrophobicContact CB-CD2 4.47Å; H33-L38 WeakPolarHBondContact O-CD1 3.37Å; T34-L38 WeakPolarHBondContact O-CG 3.47Å; T34-L38 PolarHBondContact O-N 3.06Å; L38-G40 PolarHBondContact O-N 3.49Å
39E97.7Very high97.2Very high78 Ų7855.9 Ų55.936%0.36432%0.316SS..THydrogen-bonded Turntrans-80.74.1168.7-73.4-173.3168.800113.7P35 S36 Q37 S86 K88 Q89P35-E39 WeakPolarHBondContact O-CG 3.49Å; P35-E39 PolarHBondContact O-N 2.91Å; S36-E39 PolarHBondContact O-N 2.82Å; Q37-E39 VanDerWaalsContact C-N 3.29Å; Q37-E39 PolarHBondContact O-N 3.03Å; E39-S86 WeakPolarHBondContact OE2-CB 3.32Å; E39-S86 PolarHBondContact OE2-OG 3.35Å; E39-K88 HydrophobicContact CB-CD 4.13Å; E39-K88 PolarHBondContact O-NZ 3.22Å; E39-K88 WeakPolarHBondContact OE2-CB 3.4Å; E39-Q89 PolarHBondContact OE1-NE2 3.48Å
40G97.2Very high97.4Very high58 Ų5849.4 Ų49.460%0.59829%0.287SS*.THydrogen-bonded Turntrans72.546.9-17800000113.5S36 Q37 L38 K88S36-G40 PolarHBondContact O-N 3.31Å; Q37-G40 WeakPolarHBondContact O-CA 3.47Å; Q37-G40 PolarHBondContact O-N 2.69Å; L38-G40 PolarHBondContact O-N 3.49Å; G40-K88 PolarHBondContact O-NZ 3.32Å
41L97.5Very high97.5Very high23 Ų2347.6 Ų47.612%0.1228%0.275CS..  trans-89.9137.1156.9-164.871.7000108.5S36 T45 E46 Y49 F87S36-L41 WeakPolarHBondContact O-CB 3.15Å; S36-L41 PolarHBondContact O-N 3.39Å; L41-T45 HydrophobicContact CD1-CG2 3.71Å; L41-T45 HydrophobicContact CD2-CG2 4.15Å; L41-T45 HydrophobicContact CG-CG2 3.94Å; L41-E46 HydrophobicContact CD2-CB 4.08Å; L41-E46 HydrophobicContact CD2-CG 4.25Å; L41-Y49 HydrophobicContact CD1-CE2 4.2Å; L41-Y49 HydrophobicContact CD2-CD2 3.95Å; L41-Y49 HydrophobicContact CD2-CE2 4.08Å; L41-F87 HydrophobicContact CD2-CB 4.06Å; L41-F87 HydrophobicContact CD2-CD2 4.41Å
42D96.9Very high97.6Very high79 Ų7949 Ų4942%0.42228%0.281SS..  trans-71.8146.8179.276.5-90.4000111.7A44 T45 E46D42-A44 VanDerWaalsContact C-N 3.25Å; D42-A44 PolarHBondContact O-N 3.07Å; D42-A44 WeakPolarHBondContact OD2-CA 3.39Å; D42-A44 WeakPolarHBondContact OD2-CB 3.49Å; D42-A44 PolarHBondContact OD2-N 2.93Å; D42-A44 VanDerWaalsContact OD2-N 3.12Å; D42-T45 PolarHBondContact O-N 3.33Å; D42-T45 WeakPolarHBondContact OD1-CB 3.25Å; D42-T45 PolarHBondContact OD1-OG1 2.65Å; D42-T45 PolarHBondContact OD2-N 2.86Å; D42-T45 PolarHBondContact OD2-OG1 3.15Å; D42-E46 PolarHBondContact O-N 3.1Å
43P96.5Very high97.7Very high81 Ų8146.7 Ų46.753%0.52626%0.262SS..Hα-helixtrans-61.7-29.7-175.3-23.332.6000114Q37 E46 A47Q37-P43 HydrophobicContact CG-CG 4.43Å; P43-E46 PolarHBondContact O-N 3.17Å; P43-A47 WeakPolarHBondContact O-CB 3.5Å; P43-A47 PolarHBondContact O-N 3.13Å
44A96.2Very high97.8Very high67 Ų6740.9 Ų40.955%0.55424%0.235SC*.Hα-helixtrans-75-36.8-179.800000111.8D42 R48D42-A44 VanDerWaalsContact C-N 3.25Å; D42-A44 PolarHBondContact O-N 3.07Å; D42-A44 WeakPolarHBondContact OD2-CA 3.39Å; D42-A44 WeakPolarHBondContact OD2-CB 3.49Å; D42-A44 PolarHBondContact OD2-N 2.93Å; D42-A44 VanDerWaalsContact OD2-N 3.12Å; A44-R48 WeakPolarHBondContact O-CB 3.49Å; A44-R48 PolarHBondContact O-N 2.89Å
45T97.4Very high97.7Very high14 Ų1446.7 Ų46.79%0.08626%0.257CS..Hα-helixtrans-67-40.1169-72.20000111.4L41 D42 R48 Y49L41-T45 HydrophobicContact CD1-CG2 3.71Å; L41-T45 HydrophobicContact CD2-CG2 4.15Å; L41-T45 HydrophobicContact CG-CG2 3.94Å; D42-T45 PolarHBondContact O-N 3.33Å; D42-T45 WeakPolarHBondContact OD1-CB 3.25Å; D42-T45 PolarHBondContact OD1-OG1 2.65Å; D42-T45 PolarHBondContact OD2-N 2.86Å; D42-T45 PolarHBondContact OD2-OG1 3.15Å; T45-R48 VanDerWaalsContact CG2-NH2 3.29Å; T45-R48 WeakPolarHBondContact O-CB 3.47Å; T45-R48 PolarHBondContact O-N 3.02Å; T45-R48 PolarHBondContact OG1-NH1 3.01Å; T45-R48 PolarHBondContact OG1-NH2 3.43Å; T45-Y49 HydrophobicContact CG2-CD1 4.36Å; T45-Y49 HydrophobicContact CG2-CD2 3.88Å; T45-Y49 HydrophobicContact CG2-CE1 3.97Å; T45-Y49 HydrophobicContact CG2-CE2 3.44Å; T45-Y49 VanDerWaalsContact CG2-CE2 3.44Å; T45-Y49 HydrophobicContact CG2-CG 4.31Å; T45-Y49 VanDerWaalsContact CG2-CZ 3.49Å; T45-Y49 WeakPolarHBondContact O-CB 3.41Å; T45-Y49 PolarHBondContact O-N 3.2Å
46E98.3Very high97.8Very high6 Ų645.7 Ų45.73%0.02825%0.249CC..Hα-helixtrans-62.6-47.9175-158.1-162.2141.600111.2T34 Q37 L41 D42 P43 R48 Y49 R50 F87T34-E46 WeakPolarHBondContact CG2-OE2 3.42Å; T34-E46 PolarHBondContact OG1-OE2 3.05Å; Q37-E46 PolarHBondContact NE2-OE2 3.22Å; L41-E46 HydrophobicContact CD2-CB 4.08Å; L41-E46 HydrophobicContact CD2-CG 4.25Å; D42-E46 PolarHBondContact O-N 3.1Å; P43-E46 PolarHBondContact O-N 3.17Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.85Å; E46-Y49 PolarHBondContact O-N 3.05Å; E46-Y49 VanDerWaalsContact O-N 3.13Å; E46-R50 PolarHBondContact O-N 3.01Å; E46-R50 IonicContact OE1-CZ 3.56Å; E46-R50 IonicContact OE1-NE 2.73Å; E46-R50 PolarHBondContact OE1-NE 3.29Å; E46-R50 IonicContact OE1-NH2 3.1Å; E46-R50 PolarHBondContact OE1-NH2 2.83Å; E46-F87 HydrophobicContact CG-CD2 3.73Å; E46-F87 HydrophobicContact CG-CE2 3.71Å
47A97.3Very high97.8Very high38 Ų3845.7 Ų45.731%0.31425%0.249SC..Hα-helixtrans-58.8-39.2174.600000112P43 R51P43-A47 WeakPolarHBondContact O-CB 3.5Å; P43-A47 PolarHBondContact O-N 3.13Å; A47-R51 WeakPolarHBondContact O-CG 3.45Å; A47-R51 PolarHBondContact O-N 3.06Å
48R97.5Very high97.8Very high76 Ų7646 Ų4629%0.28725%0.25SS..Hα-helixtrans-62.4-47.2173-174.9-177.266.3-120.4-7.3111.6A44 T45 E46 R50 R51 E52A44-R48 WeakPolarHBondContact O-CB 3.49Å; A44-R48 PolarHBondContact O-N 2.89Å; T45-R48 VanDerWaalsContact CG2-NH2 3.29Å; T45-R48 WeakPolarHBondContact O-CB 3.47Å; T45-R48 PolarHBondContact O-N 3.02Å; T45-R48 PolarHBondContact OG1-NH1 3.01Å; T45-R48 PolarHBondContact OG1-NH2 3.43Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.85Å; R48-R50 PolarHBondContact O-N 3.14Å; R48-R51 PolarHBondContact O-N 3.09Å; R48-E52 WeakPolarHBondContact CD-OE1 3.39Å; R48-E52 HydrophobicContact CG-CG 4.41Å; R48-E52 VanDerWaalsContact CG-OE1 3.25Å; R48-E52 WeakPolarHBondContact CG-OE1 3.44Å; R48-E52 IonicContact NE-OE1 2.77Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 WeakPolarHBondContact O-CG 3.25Å; R48-E52 PolarHBondContact O-N 2.84Å
49Y98.4Very high97.8Very high50 Ų5043.9 Ų43.920%0.19624%0.239CC..Hα-helixtrans-65.7-36.1179.4-70.5-13.6000113L41 T45 E46 E52 G53 F87 R92L41-Y49 HydrophobicContact CD1-CE2 4.2Å; L41-Y49 HydrophobicContact CD2-CD2 3.95Å; L41-Y49 HydrophobicContact CD2-CE2 4.08Å; T45-Y49 HydrophobicContact CG2-CD1 4.36Å; T45-Y49 HydrophobicContact CG2-CD2 3.88Å; T45-Y49 HydrophobicContact CG2-CE1 3.97Å; T45-Y49 HydrophobicContact CG2-CE2 3.44Å; T45-Y49 VanDerWaalsContact CG2-CE2 3.44Å; T45-Y49 HydrophobicContact CG2-CG 4.31Å; T45-Y49 VanDerWaalsContact CG2-CZ 3.49Å; T45-Y49 WeakPolarHBondContact O-CB 3.41Å; T45-Y49 PolarHBondContact O-N 3.2Å; E46-Y49 PolarHBondContact O-N 3.05Å; E46-Y49 VanDerWaalsContact O-N 3.13Å; Y49-E52 PolarHBondContact O-N 3.16Å; Y49-G53 PolarHBondContact O-N 3.47Å; Y49-F87 HydrophobicContact CD2-CB 3.83Å; Y49-F87 HydrophobicContact CD2-CD1 4.22Å; Y49-F87 HydrophobicContact CD2-CD2 4.4Å; Y49-F87 AromaticContact CD2-CG 3.92Å; Y49-F87 HydrophobicContact CD2-CG 3.92Å; Y49-F87 HydrophobicContact CE2-CB 4.38Å; Y49-R92 VanDerWaalsContact CD1-CZ 3.5Å
50R98.5Very high97.8Very high6 Ų640.1 Ų40.12%0.02322%0.222CC..Hα-helixtrans-62.5-48.4171.7-72.1-176.6-175.5-97.65.1111.4E46 R48 E52 G53 A54 H79 Y82 F87E46-R50 PolarHBondContact O-N 3.01Å; E46-R50 IonicContact OE1-CZ 3.56Å; E46-R50 IonicContact OE1-NE 2.73Å; E46-R50 PolarHBondContact OE1-NE 3.29Å; E46-R50 IonicContact OE1-NH2 3.1Å; E46-R50 PolarHBondContact OE1-NH2 2.83Å; R48-R50 PolarHBondContact O-N 3.14Å; R50-E52 PolarHBondContact O-N 3.32Å; R50-G53 PolarHBondContact O-N 3.42Å; R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 2.93Å; R50-H79 PolarHBondContact NH1-O 2.96Å; R50-Y82 PolarHBondContact NH2-O 3.21Å; R50-F87 HydrophobicContact CG-CE2 3.8Å; R50-F87 HydrophobicContact CG-CZ 3.71Å
51R97.9Very high97.9Very high36 Ų3637.4 Ų37.414%0.13619%0.193CC..Hα-helixtrans-59.1-44.8174.6-72-175.3-60.3-125.515.7113.4A47 R48 R55 C194 L257A47-R51 WeakPolarHBondContact O-CG 3.45Å; A47-R51 PolarHBondContact O-N 3.06Å; R48-R51 PolarHBondContact O-N 3.09Å; R51-R55 WeakPolarHBondContact O-CB 3.45Å; R51-R55 VanDerWaalsContact O-CG 3.28Å; R51-R55 WeakPolarHBondContact O-CG 3.3Å; R51-R55 PolarHBondContact O-N 3.12Å; R51-C194 HydrophobicContact CG-CB 4.21Å; R51-C194 WeakPolarHBondContact CG-O 3.49Å; R51-L257 VanDerWaalsContact CD-CD2 3.45Å; R51-L257 HydrophobicContact CG-CD2 4.17Å
52E97.9Very high97.9Very high51 Ų5139.2 Ų39.224%0.23821%0.206CC..Hα-helixtrans-63.2-42.9178.5-77.5178.2-145.900111.8R48 Y49 R50 F56 R92 Y93R48-E52 WeakPolarHBondContact CD-OE1 3.39Å; R48-E52 HydrophobicContact CG-CG 4.41Å; R48-E52 VanDerWaalsContact CG-OE1 3.25Å; R48-E52 WeakPolarHBondContact CG-OE1 3.44Å; R48-E52 IonicContact NE-OE1 2.77Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 WeakPolarHBondContact O-CG 3.25Å; R48-E52 PolarHBondContact O-N 2.84Å; Y49-E52 PolarHBondContact O-N 3.16Å; R50-E52 PolarHBondContact O-N 3.32Å; E52-F56 VanDerWaalsContact O-CB 3.27Å; E52-F56 WeakPolarHBondContact O-CB 3.42Å; E52-F56 PolarHBondContact O-N 2.65Å; E52-R92 IonicContact OE2-CZ 2.66Å; E52-R92 IonicContact OE2-NE 2.71Å; E52-R92 PolarHBondContact OE2-NE 3.12Å; E52-R92 IonicContact OE2-NH2 3.17Å; E52-R92 PolarHBondContact OE2-NH2 3.19Å; E52-Y93 HydrophobicContact CB-CE1 4.45Å; E52-Y93 PolarHBondContact OE2-OH 2.98Å
53G98.6Very high98Very high0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-68.2-45.4177.100000113Y49 R50 R55 F56 I57Y49-G53 PolarHBondContact O-N 3.47Å; R50-G53 PolarHBondContact O-N 3.42Å; G53-R55 PolarHBondContact O-N 2.68Å; G53-F56 PolarHBondContact O-N 2.97Å; G53-I57 VanDerWaalsContact O-CG1 3.29Å; G53-I57 WeakPolarHBondContact O-CG1 3.48Å; G53-I57 PolarHBondContact O-N 2.65Å
54A98.6Very high98.1Very high0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-60.1-45.5177.400000112.2R50 I57 F58 I75 L193R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 2.93Å; A54-I57 PolarHBondContact O-N 3.11Å; A54-F58 PolarHBondContact O-N 2.87Å; A54-I75 HydrophobicContact CB-CD1 4.41Å; A54-I75 HydrophobicContact CB-CG1 4.33Å; A54-I75 HydrophobicContact CB-CG2 3.91Å; A54-L193 WeakPolarHBondContact CB-O 3.45Å
55R97.8Very high98.2Very high125 Ų12539.4 Ų39.447%0.47220%0.196SC..Hα-helixtrans-64.1-42.3175.5-71.9173.9179.4177.7-2.7112.3R51 G53 I57 F58 D59R51-R55 WeakPolarHBondContact O-CB 3.45Å; R51-R55 VanDerWaalsContact O-CG 3.28Å; R51-R55 WeakPolarHBondContact O-CG 3.3Å; R51-R55 PolarHBondContact O-N 3.12Å; G53-R55 PolarHBondContact O-N 2.68Å; R55-I57 PolarHBondContact O-N 2.76Å; R55-F58 WeakPolarHBondContact O-CB 3.27Å; R55-F58 PolarHBondContact O-N 3.4Å; R55-F58 VanDerWaalsContact O-N 3.15Å; R55-D59 WeakPolarHBondContact O-CB 3.29Å; R55-D59 PolarHBondContact O-N 3.12Å
56F98.7Very high98.2Very high9 Ų939.7 Ų39.74%0.03920%0.196CC..Hα-helixtrans-59.5-42.9174.9166.7-98.7000112.7E52 G53 F58 D59 V60 Y93 A97 A120 L124 F132E52-F56 VanDerWaalsContact O-CB 3.27Å; E52-F56 WeakPolarHBondContact O-CB 3.42Å; E52-F56 PolarHBondContact O-N 2.65Å; G53-F56 PolarHBondContact O-N 2.97Å; F56-F58 VanDerWaalsContact C-N 3.32Å; F56-F58 PolarHBondContact O-N 3.39Å; F56-D59 PolarHBondContact O-N 2.91Å; F56-V60 HydrophobicContact CD2-CG2 3.83Å; F56-V60 HydrophobicContact CE1-CG2 4.25Å; F56-V60 HydrophobicContact CE2-CG2 3.49Å; F56-V60 VanDerWaalsContact CE2-CG2 3.49Å; F56-V60 HydrophobicContact CG-CG2 4.36Å; F56-V60 HydrophobicContact CZ-CG2 3.74Å; F56-V60 WeakPolarHBondContact O-CB 3.48Å; F56-V60 VanDerWaalsContact O-CG2 3.22Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.11Å; F56-Y93 HydrophobicContact CB-CD1 3.78Å; F56-Y93 HydrophobicContact CB-CE1 3.9Å; F56-Y93 AromaticContact CD1-CD1 3.89Å; F56-Y93 HydrophobicContact CD1-CD1 3.89Å; F56-Y93 AromaticContact CD2-CD1 3.86Å; F56-Y93 HydrophobicContact CD2-CD1 3.86Å; F56-Y93 HydrophobicContact CD2-CE1 4.42Å; F56-Y93 HydrophobicContact CE1-CD1 4.43Å; F56-Y93 WeakPolarHBondContact CE1-O 3.19Å; F56-Y93 HydrophobicContact CE2-CD1 4.4Å; F56-Y93 AromaticContact CG-CD1 3.56Å; F56-Y93 HydrophobicContact CG-CD1 3.56Å; F56-Y93 HydrophobicContact CG-CE1 4.15Å; F56-A97 HydrophobicContact CE1-CB 4.23Å; F56-A97 HydrophobicContact CZ-CB 4.43Å; F56-A120 HydrophobicContact CE2-CB 3.74Å; F56-A120 HydrophobicContact CZ-CB 3.64Å; F56-L124 HydrophobicContact CD2-CD1 4.2Å; F56-L124 HydrophobicContact CD2-CD2 3.75Å; F56-L124 HydrophobicContact CD2-CG 4.07Å; F56-L124 HydrophobicContact CE2-CD1 3.61Å; F56-L124 HydrophobicContact CE2-CD2 3.98Å; F56-L124 HydrophobicContact CE2-CG 3.76Å; F56-L124 HydrophobicContact CZ-CD1 4.22Å; F56-F132 HydrophobicContact CZ-CZ 4.2Å
57I98.9Very high98.2Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-59.7-45.3174.4-66.4161.7000110.3G53 A54 R55 G61 I75 F78 L100G53-I57 VanDerWaalsContact O-CG1 3.29Å; G53-I57 WeakPolarHBondContact O-CG1 3.48Å; G53-I57 PolarHBondContact O-N 2.65Å; A54-I57 PolarHBondContact O-N 3.11Å; R55-I57 PolarHBondContact O-N 2.76Å; I57-G61 PolarHBondContact O-N 3.02Å; I57-I75 HydrophobicContact CB-CG1 3.9Å; I57-I75 HydrophobicContact CD1-CG1 3.97Å; I57-I75 HydrophobicContact CG2-CD1 4.43Å; I57-I75 HydrophobicContact CG2-CG1 3.74Å; I57-F78 HydrophobicContact CD1-CB 3.66Å; I57-F78 HydrophobicContact CD1-CD1 4.41Å; I57-F78 HydrophobicContact CD1-CD2 4.13Å; I57-F78 HydrophobicContact CD1-CG 3.84Å; I57-L100 HydrophobicContact CG2-CB 4.25Å; I57-L100 HydrophobicContact CG2-CD1 4.04Å
58F97.9Very high98.1Very high45 Ų4544.7 Ų44.720%0.19721%0.211CC..Hα-helixtrans-62.6-47.8179.2-162.8-79.8000112.5A54 R55 F56 T62 L71A54-F58 PolarHBondContact O-N 2.87Å; R55-F58 WeakPolarHBondContact O-CB 3.27Å; R55-F58 PolarHBondContact O-N 3.4Å; R55-F58 VanDerWaalsContact O-N 3.15Å; F56-F58 VanDerWaalsContact C-N 3.32Å; F56-F58 PolarHBondContact O-N 3.39Å; F58-T62 WeakPolarHBondContact O-CB 3.17Å; F58-T62 PolarHBondContact O-N 3.28Å; F58-T62 PolarHBondContact O-OG1 2.99Å; F58-L71 HydrophobicContact CD1-CD1 4.36Å; F58-L71 HydrophobicContact CD2-CB 4.35Å; F58-L71 HydrophobicContact CD2-CD1 3.7Å; F58-L71 HydrophobicContact CE1-CD1 4.42Å; F58-L71 HydrophobicContact CE2-CD1 3.79Å; F58-L71 HydrophobicContact CG-CD1 4Å; F58-L71 HydrophobicContact CZ-CD1 4.15Å
59D98.1Very high98.1Very high79 Ų7942.7 Ų42.742%0.42221%0.206SC..Hα-helixtrans-65.1-46.1180-73.3-30.3000112.1R55 F56 R63 L123R55-D59 WeakPolarHBondContact O-CB 3.29Å; R55-D59 PolarHBondContact O-N 3.12Å; F56-D59 PolarHBondContact O-N 2.91Å; D59-R63 WeakPolarHBondContact O-CB 3.36Å; D59-R63 WeakPolarHBondContact O-CG 3.36Å; D59-R63 PolarHBondContact O-N 3.47Å; D59-L123 HydrophobicContact CB-CD1 3.83Å; D59-L123 HydrophobicContact CB-CD2 3.99Å
60V98.7Very high98.1Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-63.3-47.6177.31730000110.4F56 R63 L64 L100 I116 T119 L123F56-V60 HydrophobicContact CD2-CG2 3.83Å; F56-V60 HydrophobicContact CE1-CG2 4.25Å; F56-V60 HydrophobicContact CE2-CG2 3.49Å; F56-V60 VanDerWaalsContact CE2-CG2 3.49Å; F56-V60 HydrophobicContact CG-CG2 4.36Å; F56-V60 HydrophobicContact CZ-CG2 3.74Å; F56-V60 WeakPolarHBondContact O-CB 3.48Å; F56-V60 VanDerWaalsContact O-CG2 3.22Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.11Å; V60-R63 PolarHBondContact O-N 3.15Å; V60-L64 HydrophobicContact CG1-CD1 3.87Å; V60-L64 VanDerWaalsContact O-CG 3.3Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.95Å; V60-L100 HydrophobicContact CB-CD2 3.93Å; V60-L100 HydrophobicContact CG1-CD2 3.6Å; V60-I116 HydrophobicContact CG1-CG2 4.09Å; V60-T119 HydrophobicContact CB-CG2 4.21Å; V60-T119 HydrophobicContact CG1-CG2 3.87Å; V60-T119 HydrophobicContact CG2-CG2 4.34Å; V60-L123 HydrophobicContact CB-CD1 4.27Å; V60-L123 HydrophobicContact CG2-CD1 3.5Å; V60-L123 VanDerWaalsContact CG2-CD1 3.5Å
61G98.6Very high98.1Very high0 Ų040.3 Ų40.30%020%0.197CC..Hα-helixtrans-69.6-35.6-177.600000113.4I57 L64 G65 L66I57-G61 PolarHBondContact O-N 3.02Å; G61-L64 CarbonylContact O-C 3.52Å; G61-L64 PolarHBondContact O-N 3.47Å; G61-G65 PolarHBondContact O-N 3.05Å; G61-G65 VanDerWaalsContact O-N 3.1Å; G61-L66 WeakPolarHBondContact O-CB 3.22Å; G61-L66 PolarHBondContact O-N 3.31Å
62T97.9Very high98.2Very high62 Ų6238.6 Ų38.638%0.3819%0.191SC..Hα-helixtrans-65.7-43.7173.4-67.60000111F58 L64 G65F58-T62 WeakPolarHBondContact O-CB 3.17Å; F58-T62 PolarHBondContact O-N 3.28Å; F58-T62 PolarHBondContact O-OG1 2.99Å; T62-L64 PolarHBondContact O-N 3Å; T62-G65 PolarHBondContact O-N 2.84Å
63R98.3Very high98.2Very high144 Ų14436.2 Ų36.254%0.54318%0.179SC..Hα-helixtrans-61.7-27.3172.3-77.6-170.9-176.9-167.85.5113.4D59 V60 T119 S122 L123D59-R63 WeakPolarHBondContact O-CB 3.36Å; D59-R63 WeakPolarHBondContact O-CG 3.36Å; D59-R63 PolarHBondContact O-N 3.47Å; V60-R63 PolarHBondContact O-N 3.15Å; R63-T119 HydrophobicContact CB-CG2 3.61Å; R63-T119 HydrophobicContact CG-CG2 4.4Å; R63-S122 PolarHBondContact NH1-O 3.07Å; R63-S122 PolarHBondContact NH1-OG 3.43Å; R63-L123 VanDerWaalsContact CZ-CD2 3.4Å
64L98.3Very high98.2Very high30 Ų3036.2 Ų36.216%0.15718%0.179CC..THydrogen-bonded Turntrans-86.1-4.5175.4-70.3169.3000114V60 G61 T62 L66 K111 D115 I116 T119V60-L64 HydrophobicContact CG1-CD1 3.87Å; V60-L64 VanDerWaalsContact O-CG 3.3Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.95Å; G61-L64 CarbonylContact O-C 3.52Å; G61-L64 PolarHBondContact O-N 3.47Å; T62-L64 PolarHBondContact O-N 3Å; L64-L66 HydrophobicContact CB-CG 4.46Å; L64-K111 HydrophobicContact CB-CD 4.4Å; L64-K111 HydrophobicContact CB-CG 4.38Å; L64-K111 HydrophobicContact CD1-CB 4.46Å; L64-K111 HydrophobicContact CD1-CG 4.32Å; L64-K111 WeakPolarHBondContact O-CE 3.35Å; L64-K111 PolarHBondContact O-NZ 3.26Å; L64-D115 HydrophobicContact CD2-CB 4.46Å; L64-I116 HydrophobicContact CD1-CB 4.43Å; L64-I116 HydrophobicContact CD1-CG1 3.69Å; L64-T119 HydrophobicContact CG-CG2 4.43Å
65G97.8Very high98.2Very high57 Ų5736.3 Ų36.359%0.58818%0.18SC*.THydrogen-bonded Turntrans61.356.2-173.900000112G61 T62 K111G61-G65 PolarHBondContact O-N 3.05Å; G61-G65 VanDerWaalsContact O-N 3.1Å; T62-G65 PolarHBondContact O-N 2.84Å; G65-K111 PolarHBondContact O-NZ 3.09Å; G65-K111 VanDerWaalsContact O-NZ 3.15Å
66L98.2Very high98.3Very high20 Ų2030.8 Ų30.811%0.10516%0.16CC..  trans-95.6157.8169.9-75174.9000111.6G61 L64 T70 L71 L100 T109 K111G61-L66 WeakPolarHBondContact O-CB 3.22Å; G61-L66 PolarHBondContact O-N 3.31Å; L64-L66 HydrophobicContact CB-CG 4.46Å; L66-T70 HydrophobicContact CD1-CG2 4.22Å; L66-T70 HydrophobicContact CD2-CG2 4.1Å; L66-L71 HydrophobicContact CB-CD2 4.04Å; L66-L100 HydrophobicContact CD1-CD1 3.6Å; L66-L100 HydrophobicContact CD1-CD2 4.43Å; L66-L100 HydrophobicContact CD1-CG 4.08Å; L66-T109 VanDerWaalsContact CD2-O 3.25Å; L66-T109 WeakPolarHBondContact CD2-O 3.19Å; L66-K111 HydrophobicContact CD1-CG 4.22Å; L66-K111 HydrophobicContact CD2-CD 4.24Å; L66-K111 HydrophobicContact CD2-CG 3.94Å; L66-K111 HydrophobicContact CG-CG 4.21Å
67H97.4Very high98.3Very high86 Ų8630.4 Ų30.440%0.39816%0.158SC..  trans-74.7154176.9-157.9-117.2000110.9D69 T70 L71H67-D69 VanDerWaalsContact C-N 3.27Å; H67-D69 IonicContact CE1-OD2 3.26Å; H67-D69 PolarHBondContact CE1-OD2 3.48Å; H67-D69 IonicContact ND1-OD2 3.17Å; H67-D69 PolarHBondContact ND1-OD2 3.26Å; H67-D69 PolarHBondContact O-N 3.48Å; H67-T70 WeakPolarHBondContact O-CA 3.45Å; H67-T70 VanDerWaalsContact O-CB 3.31Å; H67-T70 WeakPolarHBondContact O-CB 3.4Å; H67-T70 PolarHBondContact O-N 3.12Å; H67-T70 PolarHBondContact O-OG1 3.46Å; H67-L71 WeakPolarHBondContact O-CG 3.42Å; H67-L71 PolarHBondContact O-N 3.43Å; H67-L71 VanDerWaalsContact O-N 3.16Å
68Y96.9Very high98.3Very high63 Ų6330.4 Ų30.425%0.24716%0.158CC..Hα-helixtrans-63.6-33.5-177.158.9-97.8000112.3T70 L71 A72 Y161 W186Y68-T70 VanDerWaalsContact C-N 3.32Å; Y68-T70 PolarHBondContact O-N 2.92Å; Y68-L71 WeakPolarHBondContact O-CB 3.3Å; Y68-L71 PolarHBondContact O-N 3.25Å; Y68-A72 PolarHBondContact O-N 3.05Å; Y68-Y161 HydrophobicContact CD2-CD1 4.19Å; Y68-Y161 AromaticContact CD2-CD2 3.5Å; Y68-Y161 HydrophobicContact CD2-CD2 3.5Å; Y68-Y161 HydrophobicContact CD2-CE1 4.35Å; Y68-Y161 AromaticContact CD2-CE2 3.71Å; Y68-Y161 HydrophobicContact CD2-CE2 3.71Å; Y68-Y161 AromaticContact CD2-CG 3.77Å; Y68-Y161 HydrophobicContact CD2-CG 3.77Å; Y68-Y161 HydrophobicContact CE2-CD1 4.38Å; Y68-Y161 AromaticContact CE2-CD2 3.74Å; Y68-Y161 HydrophobicContact CE2-CD2 3.74Å; Y68-Y161 HydrophobicContact CE2-CE2 4.4Å; Y68-Y161 AromaticContact CE2-CG 3.73Å; Y68-Y161 HydrophobicContact CE2-CG 3.73Å; Y68-W186 HydrophobicContact CD1-CH2 4.35Å; Y68-W186 AromaticContact CD1-CZ2 3.77Å; Y68-W186 HydrophobicContact CD1-CZ2 3.77Å; Y68-W186 HydrophobicContact CD2-CH2 4.25Å; Y68-W186 AromaticContact CD2-CZ2 3.83Å; Y68-W186 HydrophobicContact CD2-CZ2 3.83Å; Y68-W186 AromaticContact CE1-CH2 3.81Å; Y68-W186 HydrophobicContact CE1-CH2 3.81Å; Y68-W186 AromaticContact CE1-CZ2 3.7Å; Y68-W186 HydrophobicContact CE1-CZ2 3.7Å; Y68-W186 AromaticContact CE2-CH2 3.72Å; Y68-W186 HydrophobicContact CE2-CH2 3.72Å; Y68-W186 AromaticContact CE2-CZ2 3.79Å; Y68-W186 HydrophobicContact CE2-CZ2 3.79Å; Y68-W186 AromaticContact CG-CZ2 3.86Å; Y68-W186 HydrophobicContact CG-CZ2 3.86Å; Y68-W186 AromaticContact CZ-CH2 3.51Å; Y68-W186 AromaticContact CZ-CZ2 3.76Å
69D97.3Very high98.3Very high34 Ų3428.2 Ų28.218%0.18215%0.148CC..Hα-helixtrans-61.9-38.9172.1-58.9-63.3000111.4H67 L71 A72 T73 H159H67-D69 VanDerWaalsContact C-N 3.27Å; H67-D69 IonicContact CE1-OD2 3.26Å; H67-D69 PolarHBondContact CE1-OD2 3.48Å; H67-D69 IonicContact ND1-OD2 3.17Å; H67-D69 PolarHBondContact ND1-OD2 3.26Å; H67-D69 PolarHBondContact O-N 3.48Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 3.46Å; D69-A72 PolarHBondContact O-N 3.27Å; D69-T73 WeakPolarHBondContact O-CB 3.49Å; D69-T73 PolarHBondContact O-N 3.1Å; D69-T73 PolarHBondContact O-OG1 2.98Å; D69-H159 PolarHBondContact O-NE2 2.92Å; D69-H159 IonicContact OD1-CD2 2.61Å
70T98.5Very high98.4Very high2 Ų225.3 Ų25.31%0.01213%0.132CC..Hα-helixtrans-64.2-35.6174.4-35.40000113L66 H67 Y68 G74 A103 E107 T109L66-T70 HydrophobicContact CD1-CG2 4.22Å; L66-T70 HydrophobicContact CD2-CG2 4.1Å; H67-T70 WeakPolarHBondContact O-CA 3.45Å; H67-T70 VanDerWaalsContact O-CB 3.31Å; H67-T70 WeakPolarHBondContact O-CB 3.4Å; H67-T70 PolarHBondContact O-N 3.12Å; H67-T70 PolarHBondContact O-OG1 3.46Å; Y68-T70 VanDerWaalsContact C-N 3.32Å; Y68-T70 PolarHBondContact O-N 2.92Å; T70-G74 PolarHBondContact O-N 3.49Å; T70-G74 VanDerWaalsContact O-N 3.16Å; T70-A103 HydrophobicContact CG2-CB 4.23Å; T70-E107 HydrophobicContact CG2-CB 4.04Å; T70-E107 HydrophobicContact CG2-CG 4.12Å; T70-T109 PolarHBondContact OG1-OG1 3.13Å
71L98.6Very high98.4Very high4 Ų425.3 Ų25.32%0.02113%0.132CC..Hα-helixtrans-66.4-46172.9-49.4-176.1000109.9F58 L66 H67 Y68 D69 G74 I75 L100F58-L71 HydrophobicContact CD1-CD1 4.36Å; F58-L71 HydrophobicContact CD2-CB 4.35Å; F58-L71 HydrophobicContact CD2-CD1 3.7Å; F58-L71 HydrophobicContact CE1-CD1 4.42Å; F58-L71 HydrophobicContact CE2-CD1 3.79Å; F58-L71 HydrophobicContact CG-CD1 4Å; F58-L71 HydrophobicContact CZ-CD1 4.15Å; L66-L71 HydrophobicContact CB-CD2 4.04Å; H67-L71 WeakPolarHBondContact O-CG 3.42Å; H67-L71 PolarHBondContact O-N 3.43Å; H67-L71 VanDerWaalsContact O-N 3.16Å; Y68-L71 WeakPolarHBondContact O-CB 3.3Å; Y68-L71 PolarHBondContact O-N 3.25Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 3.46Å; L71-G74 PolarHBondContact O-N 3.01Å; L71-I75 WeakPolarHBondContact O-CB 3.5Å; L71-I75 WeakPolarHBondContact O-CD1 3.14Å; L71-I75 WeakPolarHBondContact O-CG1 3.03Å; L71-I75 PolarHBondContact O-N 3.39Å; L71-L100 HydrophobicContact CD2-CD1 4.26Å
72A98.6Very high98.4Very high0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-65.6-43.8-178.900000112.9Y68 D69 G74 I75 I76 H159 Y161 L193Y68-A72 PolarHBondContact O-N 3.05Å; D69-A72 PolarHBondContact O-N 3.27Å; A72-G74 VanDerWaalsContact C-N 3.34Å; A72-G74 PolarHBondContact O-N 3.19Å; A72-I75 PolarHBondContact O-N 3.04Å; A72-I75 VanDerWaalsContact O-N 3.16Å; A72-I76 WeakPolarHBondContact O-CG1 3.33Å; A72-I76 PolarHBondContact O-N 2.98Å; A72-H159 VanDerWaalsContact C-CE1 3.47Å; A72-H159 HydrophobicContact CB-CB 4.49Å; A72-H159 WeakPolarHBondContact CB-ND1 3.42Å; A72-Y161 HydrophobicContact CB-CE2 4Å; A72-L193 HydrophobicContact CB-CD1 3.75Å; A72-L193 HydrophobicContact CB-CD2 4.17Å
73T98.8Very high98.4Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-58.9-45.1173-67.30000110.9D69 I75 I76 Y77 A103 E107 V157 H159D69-T73 WeakPolarHBondContact O-CB 3.49Å; D69-T73 PolarHBondContact O-N 3.1Å; D69-T73 PolarHBondContact O-OG1 2.98Å; T73-I75 VanDerWaalsContact C-N 3.34Å; T73-I75 PolarHBondContact O-N 3.18Å; T73-I76 PolarHBondContact O-N 3.32Å; T73-Y77 HydrophobicContact CG2-CD2 4.08Å; T73-Y77 HydrophobicContact CG2-CE1 4.17Å; T73-Y77 HydrophobicContact CG2-CE2 3.45Å; T73-Y77 VanDerWaalsContact CG2-CE2 3.45Å; T73-Y77 VanDerWaalsContact CG2-CZ 3.49Å; T73-Y77 WeakPolarHBondContact O-CD2 3.43Å; T73-Y77 VanDerWaalsContact O-CG 3.27Å; T73-Y77 PolarHBondContact O-N 2.84Å; T73-A103 HydrophobicContact CG2-CB 3.81Å; T73-E107 WeakPolarHBondContact CB-OE1 3.37Å; T73-E107 HydrophobicContact CG2-CG 4.37Å; T73-E107 WeakPolarHBondContact CG2-OE1 3.41Å; T73-E107 PolarHBondContact OG1-OE1 3.23Å; T73-V157 HydrophobicContact CG2-CG2 4.25Å; T73-H159 PolarHBondContact N-CE1 2.74Å; T73-H159 VanDerWaalsContact N-CE1 3.25Å; T73-H159 PolarHBondContact N-NE2 3.15Å; T73-H159 PolarHBondContact OG1-CE1 3.38Å; T73-H159 VanDerWaalsContact OG1-CE1 3.3Å; T73-H159 PolarHBondContact OG1-NE2 3.42Å
74G98.8Very high98.4Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-61-40174.400000113.2T70 L71 A72 F78 C99T70-G74 PolarHBondContact O-N 3.49Å; T70-G74 VanDerWaalsContact O-N 3.16Å; L71-G74 PolarHBondContact O-N 3.01Å; A72-G74 VanDerWaalsContact C-N 3.34Å; A72-G74 PolarHBondContact O-N 3.19Å; G74-F78 WeakPolarHBondContact O-CB 3.5Å; G74-F78 PolarHBondContact O-N 3.26Å; G74-F78 VanDerWaalsContact O-N 3.1Å; G74-C99 VanDerWaalsContact O-CB 3.23Å; G74-C99 WeakPolarHBondContact O-CB 3.41Å
75I98.8Very high98.4Very high2 Ų220.9 Ų20.91%0.0111%0.111CC..Hα-helixtrans-71.1-40.9178-67.1165.1000111.5A54 I57 L71 A72 T73 F78 H79 L193A54-I75 HydrophobicContact CB-CD1 4.41Å; A54-I75 HydrophobicContact CB-CG1 4.33Å; A54-I75 HydrophobicContact CB-CG2 3.91Å; I57-I75 HydrophobicContact CB-CG1 3.9Å; I57-I75 HydrophobicContact CD1-CG1 3.97Å; I57-I75 HydrophobicContact CG2-CD1 4.43Å; I57-I75 HydrophobicContact CG2-CG1 3.74Å; L71-I75 WeakPolarHBondContact O-CB 3.5Å; L71-I75 WeakPolarHBondContact O-CD1 3.14Å; L71-I75 WeakPolarHBondContact O-CG1 3.03Å; L71-I75 PolarHBondContact O-N 3.39Å; A72-I75 PolarHBondContact O-N 3.04Å; A72-I75 VanDerWaalsContact O-N 3.16Å; T73-I75 VanDerWaalsContact C-N 3.34Å; T73-I75 PolarHBondContact O-N 3.18Å; I75-F78 WeakPolarHBondContact O-CB 3.32Å; I75-F78 PolarHBondContact O-N 3.24Å; I75-H79 PolarHBondContact O-CD2 2.7Å; I75-H79 PolarHBondContact O-N 2.9Å; I75-L193 HydrophobicContact CD1-CB 4.2Å; I75-L193 HydrophobicContact CD1-CD1 4.37Å; I75-L193 HydrophobicContact CG2-CB 4.11Å; I75-L193 HydrophobicContact CG2-CD2 4.41Å; I75-L193 WeakPolarHBondContact CG2-O 3.44Å
76I98.8Very high98.5Very high10 Ų1018.2 Ų18.25%0.0518%0.083CC..Hα-helixtrans-66.7-39.7177.4-67177.8000110.9A72 T73 F78 H79 R80 V157 L193A72-I76 WeakPolarHBondContact O-CG1 3.33Å; A72-I76 PolarHBondContact O-N 2.98Å; T73-I76 PolarHBondContact O-N 3.32Å; I76-F78 PolarHBondContact O-N 2.77Å; I76-H79 PolarHBondContact O-N 3.12Å; I76-R80 HydrophobicContact CG2-CG 4.21Å; I76-R80 WeakPolarHBondContact O-CB 3.48Å; I76-R80 WeakPolarHBondContact O-CG 3.45Å; I76-R80 PolarHBondContact O-N 2.88Å; I76-V157 HydrophobicContact CB-CG1 4.1Å; I76-V157 HydrophobicContact CD1-CG1 3.66Å; I76-V157 HydrophobicContact CG1-CG1 4.47Å; I76-V157 HydrophobicContact CG2-CG1 3.77Å; I76-L193 HydrophobicContact CG1-CD2 4.44Å
77Y98.8Very high98.5Very high0 Ų018.1 Ų18.10%08%0.082CC..Hα-helixtrans-57.6-46.5170.4-69-23.1000112.2T73 H79 R80 F81 L102 A103 I151 L155 V157T73-Y77 HydrophobicContact CG2-CD2 4.08Å; T73-Y77 HydrophobicContact CG2-CE1 4.17Å; T73-Y77 HydrophobicContact CG2-CE2 3.45Å; T73-Y77 VanDerWaalsContact CG2-CE2 3.45Å; T73-Y77 VanDerWaalsContact CG2-CZ 3.49Å; T73-Y77 WeakPolarHBondContact O-CD2 3.43Å; T73-Y77 VanDerWaalsContact O-CG 3.27Å; T73-Y77 PolarHBondContact O-N 2.84Å; Y77-H79 PolarHBondContact O-N 3.21Å; Y77-R80 PolarHBondContact O-N 3.21Å; Y77-F81 VanDerWaalsContact O-CB 3.3Å; Y77-F81 WeakPolarHBondContact O-CB 3.38Å; Y77-F81 PolarHBondContact O-N 3.45Å; Y77-L102 HydrophobicContact CD2-CD2 4.3Å; Y77-L102 HydrophobicContact CD2-CG 4.43Å; Y77-L102 HydrophobicContact CE2-CD2 4.13Å; Y77-L102 HydrophobicContact CE2-CG 4.01Å; Y77-A103 HydrophobicContact CD2-CB 4.3Å; Y77-A103 HydrophobicContact CE2-CB 4.15Å; Y77-I151 HydrophobicContact CD1-CD1 3.75Å; Y77-I151 HydrophobicContact CD1-CG2 4.4Å; Y77-I151 HydrophobicContact CE1-CD1 3.78Å; Y77-I151 HydrophobicContact CG-CD1 4.18Å; Y77-L155 HydrophobicContact CE1-CD2 4.45Å; Y77-L155 VanDerWaalsContact OH-CA 3.3Å; Y77-L155 WeakPolarHBondContact OH-CA 3.39Å; Y77-L155 PolarHBondContact OH-O 2.98Å; Y77-V157 HydrophobicContact CD1-CG2 4.45Å; Y77-V157 HydrophobicContact CE1-CG2 3.73Å
78F98.9Very high98.5Very high0 Ų019.4 Ų19.40%09%0.086CC..Hα-helixtrans-61.4-43176.4167.7-85.7000111.6I57 G74 I75 I76 F81 Y82 F87 R92 T95 C99I57-F78 HydrophobicContact CD1-CB 3.66Å; I57-F78 HydrophobicContact CD1-CD1 4.41Å; I57-F78 HydrophobicContact CD1-CD2 4.13Å; I57-F78 HydrophobicContact CD1-CG 3.84Å; G74-F78 WeakPolarHBondContact O-CB 3.5Å; G74-F78 PolarHBondContact O-N 3.26Å; G74-F78 VanDerWaalsContact O-N 3.1Å; I75-F78 WeakPolarHBondContact O-CB 3.32Å; I75-F78 PolarHBondContact O-N 3.24Å; I76-F78 PolarHBondContact O-N 2.77Å; F78-F81 PolarHBondContact O-N 3.22Å; F78-Y82 HydrophobicContact CD2-CD2 4.22Å; F78-Y82 AromaticContact CD2-CE2 3.79Å; F78-Y82 HydrophobicContact CD2-CE2 3.79Å; F78-Y82 HydrophobicContact CE1-CD2 4.45Å; F78-Y82 HydrophobicContact CE2-CD2 4.02Å; F78-Y82 AromaticContact CE2-CE2 3.46Å; F78-Y82 HydrophobicContact CE2-CE2 3.46Å; F78-Y82 VanDerWaalsContact CE2-CE2 3.46Å; F78-Y82 HydrophobicContact CG-CE2 4.5Å; F78-Y82 HydrophobicContact CZ-CD2 4.12Å; F78-Y82 AromaticContact CZ-CE2 3.93Å; F78-Y82 HydrophobicContact CZ-CE2 3.93Å; F78-Y82 VanDerWaalsContact O-CD2 3.32Å; F78-Y82 WeakPolarHBondContact O-CD2 3.08Å; F78-Y82 PolarHBondContact O-N 3.02Å; F78-F87 HydrophobicContact CE1-CZ 4.48Å; F78-F87 HydrophobicContact CE2-CE1 4.32Å; F78-F87 AromaticContact CZ-CE1 3.88Å; F78-F87 HydrophobicContact CZ-CE1 3.88Å; F78-F87 AromaticContact CZ-CZ 3.98Å; F78-F87 HydrophobicContact CZ-CZ 3.98Å; F78-R92 HydrophobicContact CE2-CB 4.16Å; F78-R92 HydrophobicContact CZ-CB 4.38Å; F78-T95 HydrophobicContact CD2-CG2 4.02Å; F78-C99 HydrophobicContact CB-CB 4.22Å
79H98.8Very high98.5Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-65.9-44177.7-90.2-101.2000112.7R50 I75 I76 Y77 T195 L199R50-H79 PolarHBondContact NH1-O 2.96Å; I75-H79 PolarHBondContact O-CD2 2.7Å; I75-H79 PolarHBondContact O-N 2.9Å; I76-H79 PolarHBondContact O-N 3.12Å; Y77-H79 PolarHBondContact O-N 3.21Å; H79-T195 PolarHBondContact CE1-O 3.45Å; H79-T195 PolarHBondContact ND1-O 2.88Å; H79-L199 HydrophobicContact CB-CD1 4.03Å; H79-L199 HydrophobicContact CB-CD2 4.03Å; H79-L199 HydrophobicContact CB-CG 4.08Å
80R98.7Very high98.6Very high18 Ų1822.2 Ų22.27%0.06810%0.1CC..Hα-helixtrans-62.7-41.1174.5-72.5177.3-179.7-171.7-0.7111.5W24 I76 Y77 Y82 M83 F84 I151 D154 L199W24-R80 VanDerWaalsContact CD1-NH2 3.34Å; W24-R80 HydrophobicContact CD2-CG 4.34Å; W24-R80 HydrophobicContact CE3-CB 4.26Å; W24-R80 HydrophobicContact CE3-CG 3.86Å; W24-R80 HydrophobicContact CZ3-CB 4.3Å; W24-R80 HydrophobicContact CZ3-CG 4.37Å; W24-R80 VanDerWaalsContact NE1-NH1 3.18Å; I76-R80 HydrophobicContact CG2-CG 4.21Å; I76-R80 WeakPolarHBondContact O-CB 3.48Å; I76-R80 WeakPolarHBondContact O-CG 3.45Å; I76-R80 PolarHBondContact O-N 2.88Å; Y77-R80 PolarHBondContact O-N 3.21Å; R80-Y82 PolarHBondContact O-N 2.83Å; R80-M83 WeakPolarHBondContact O-CB 3.28Å; R80-M83 PolarHBondContact O-N 3.11Å; R80-F84 WeakPolarHBondContact O-CD2 3.5Å; R80-I151 HydrophobicContact CB-CG2 4.41Å; R80-D154 IonicContact NH1-OD2 2.67Å; R80-D154 PolarHBondContact NH1-OD2 2.91Å; R80-L199 HydrophobicContact CG-CD2 3.97Å
81F98.8Very high98.5Very high0 Ų024.4 Ų24.40%012%0.115CC..Hα-helixtrans-57.1-46.7-180-177.6-88.2000112.4Y77 F78 M83 F84 H85 F90 T95 L143 I146 L147 T150Y77-F81 VanDerWaalsContact O-CB 3.3Å; Y77-F81 WeakPolarHBondContact O-CB 3.38Å; Y77-F81 PolarHBondContact O-N 3.45Å; F78-F81 PolarHBondContact O-N 3.22Å; F81-M83 PolarHBondContact O-N 3.13Å; F81-M83 VanDerWaalsContact O-N 3.12Å; F81-F84 PolarHBondContact O-N 3.43Å; F81-H85 HydrophobicContact CD1-CB 4.05Å; F81-H85 AromaticContact CD1-CD2 3.99Å; F81-H85 AromaticContact CD2-CD2 3.74Å; F81-H85 HydrophobicContact CE1-CB 3.56Å; F81-H85 AromaticContact CE1-CD2 3.65Å; F81-H85 AromaticContact CE1-CG 3.8Å; F81-H85 AromaticContact CE2-CD2 3.39Å; F81-H85 WeakPolarHBondContact CE2-CD2 3.37Å; F81-H85 AromaticContact CE2-NE2 3.86Å; F81-H85 HydrophobicContact CZ-CB 4Å; F81-H85 AromaticContact CZ-CD2 3.33Å; F81-H85 WeakPolarHBondContact CZ-CD2 3.38Å; F81-H85 AromaticContact CZ-CG 3.7Å; F81-H85 PolarHBondContact O-N 2.82Å; F81-H85 VanDerWaalsContact O-N 3.09Å; F81-F90 HydrophobicContact CE1-CB 3.81Å; F81-F90 HydrophobicContact CE1-CD1 4.21Å; F81-F90 HydrophobicContact CE1-CD2 4.23Å; F81-F90 AromaticContact CE1-CG 3.81Å; F81-F90 HydrophobicContact CE1-CG 3.81Å; F81-F90 HydrophobicContact CZ-CB 4.27Å; F81-F90 AromaticContact CZ-CD1 3.79Å; F81-F90 HydrophobicContact CZ-CD1 3.79Å; F81-F90 HydrophobicContact CZ-CD2 4.24Å; F81-F90 HydrophobicContact CZ-CE1 4.15Å; F81-F90 AromaticContact CZ-CG 3.82Å; F81-F90 HydrophobicContact CZ-CG 3.82Å; F81-T95 HydrophobicContact CB-CG2 4.44Å; F81-T95 HydrophobicContact CD1-CG2 3.62Å; F81-T95 HydrophobicContact CE1-CG2 3.92Å; F81-T95 HydrophobicContact CG-CG2 3.96Å; F81-L143 HydrophobicContact CE2-CD1 4.24Å; F81-L143 HydrophobicContact CZ-CD1 3.93Å; F81-I146 HydrophobicContact CE2-CG2 4.13Å; F81-I146 HydrophobicContact CZ-CG2 4.48Å; F81-L147 HydrophobicContact CB-CD1 4.22Å; F81-L147 HydrophobicContact CD2-CB 4.47Å; F81-L147 HydrophobicContact CD2-CD1 3.73Å; F81-L147 HydrophobicContact CG-CD1 4.36Å; F81-T150 HydrophobicContact CD2-CG2 4.02Å
82Y98.8Very high98.5Very high0 Ų026 Ų260%012%0.12CC..THydrogen-bonded Turntrans-77.213.1177.8-70.1-72.3000114.7R50 F78 R80 H85 F87 F90 R92 T95R50-Y82 PolarHBondContact NH2-O 3.21Å; F78-Y82 HydrophobicContact CD2-CD2 4.22Å; F78-Y82 AromaticContact CD2-CE2 3.79Å; F78-Y82 HydrophobicContact CD2-CE2 3.79Å; F78-Y82 HydrophobicContact CE1-CD2 4.45Å; F78-Y82 HydrophobicContact CE2-CD2 4.02Å; F78-Y82 AromaticContact CE2-CE2 3.46Å; F78-Y82 HydrophobicContact CE2-CE2 3.46Å; F78-Y82 VanDerWaalsContact CE2-CE2 3.46Å; F78-Y82 HydrophobicContact CG-CE2 4.5Å; F78-Y82 HydrophobicContact CZ-CD2 4.12Å; F78-Y82 AromaticContact CZ-CE2 3.93Å; F78-Y82 HydrophobicContact CZ-CE2 3.93Å; F78-Y82 VanDerWaalsContact O-CD2 3.32Å; F78-Y82 WeakPolarHBondContact O-CD2 3.08Å; F78-Y82 PolarHBondContact O-N 3.02Å; R80-Y82 PolarHBondContact O-N 2.83Å; Y82-H85 WeakPolarHBondContact CD1-O 3.46Å; Y82-F87 AromaticContact CD1-CD1 3.78Å; Y82-F87 HydrophobicContact CD1-CD1 3.78Å; Y82-F87 AromaticContact CD1-CD2 3.82Å; Y82-F87 HydrophobicContact CD1-CD2 3.82Å; Y82-F87 AromaticContact CD1-CE1 3.81Å; Y82-F87 HydrophobicContact CD1-CE1 3.81Å; Y82-F87 AromaticContact CD1-CE2 3.84Å; Y82-F87 HydrophobicContact CD1-CE2 3.84Å; Y82-F87 AromaticContact CD1-CG 3.79Å; Y82-F87 HydrophobicContact CD1-CG 3.79Å; Y82-F87 AromaticContact CD1-CZ 3.84Å; Y82-F87 HydrophobicContact CD1-CZ 3.84Å; Y82-F87 HydrophobicContact CD2-CD1 4.32Å; Y82-F87 AromaticContact CD2-CE1 3.55Å; Y82-F87 HydrophobicContact CD2-CE1 3.55Å; Y82-F87 HydrophobicContact CD2-CE2 4.15Å; Y82-F87 AromaticContact CD2-CZ 3.45Å; Y82-F87 HydrophobicContact CD2-CZ 3.45Å; Y82-F87 VanDerWaalsContact CD2-CZ 3.45Å; Y82-F87 HydrophobicContact CE1-CB 4.31Å; Y82-F87 AromaticContact CE1-CD1 3.37Å; Y82-F87 HydrophobicContact CE1-CD1 3.37Å; Y82-F87 HydrophobicContact CE1-CD2 4.23Å; Y82-F87 AromaticContact CE1-CE1 3.62Å; Y82-F87 HydrophobicContact CE1-CE1 3.62Å; Y82-F87 HydrophobicContact CE1-CE2 4.43Å; Y82-F87 AromaticContact CE1-CG 3.71Å; Y82-F87 HydrophobicContact CE1-CG 3.71Å; Y82-F87 HydrophobicContact CE1-CZ 4.15Å; Y82-F87 AromaticContact CE2-CD1 3.97Å; Y82-F87 HydrophobicContact CE2-CD1 3.97Å; Y82-F87 AromaticContact CE2-CE1 3.34Å; Y82-F87 HydrophobicContact CE2-CE1 3.34Å; Y82-F87 AromaticContact CE2-CZ 3.79Å; Y82-F87 HydrophobicContact CE2-CZ 3.79Å; Y82-F87 HydrophobicContact CG-CD1 4.24Å; Y82-F87 HydrophobicContact CG-CD2 4.17Å; Y82-F87 AromaticContact CG-CE1 3.78Å; Y82-F87 HydrophobicContact CG-CE1 3.78Å; Y82-F87 AromaticContact CG-CE2 3.69Å; Y82-F87 HydrophobicContact CG-CE2 3.69Å; Y82-F87 HydrophobicContact CG-CG 4.43Å; Y82-F87 AromaticContact CG-CZ 3.48Å; Y82-F87 HydrophobicContact CG-CZ 3.48Å; Y82-F87 VanDerWaalsContact CG-CZ 3.48Å; Y82-F87 AromaticContact CZ-CD1 3.46Å; Y82-F87 VanDerWaalsContact CZ-CD1 3.46Å; Y82-F87 AromaticContact CZ-CE1 3.37Å; Y82-F90 HydrophobicContact CE1-CB 4.15Å; Y82-F90 PolarHBondContact OH-O 2.52Å; Y82-R92 WeakPolarHBondContact OH-CA 3.29Å; Y82-T95 HydrophobicContact CE2-CG2 3.68Å; Y82-T95 WeakPolarHBondContact OH-CB 3.16Å; Y82-T95 PolarHBondContact OH-OG1 3.13Å
83M98.5Very high98.5Very high19 Ų1926.4 Ų26.49%0.09412%0.122CC..THydrogen-bonded Turntrans-90.9-12.2160.1-63.8-54-66.100112.8W26 L31 T34 P35 R80 F81 L199W26-M83 HydrophobicContact CB-CE 4.45Å; W26-M83 HydrophobicContact CD2-CE 3.84Å; W26-M83 HydrophobicContact CD2-CG 4.26Å; W26-M83 HydrophobicContact CE3-CE 4.49Å; W26-M83 HydrophobicContact CE3-CG 4.13Å; W26-M83 HydrophobicContact CG-CE 3.83Å; W26-M83 HydrophobicContact CH2-CB 3.65Å; W26-M83 HydrophobicContact CH2-CG 3.7Å; W26-M83 HydrophobicContact CZ2-CB 3.55Å; W26-M83 HydrophobicContact CZ2-CE 4.42Å; W26-M83 HydrophobicContact CZ2-CG 3.88Å; W26-M83 HydrophobicContact CZ3-CB 4.34Å; W26-M83 HydrophobicContact CZ3-CG 3.87Å; L31-M83 HydrophobicContact CD2-CE 3.78Å; L31-M83 HydrophobicContact CD2-SD 3.69Å; T34-M83 HydrophobicContact CG2-CE 4.44Å; T34-M83 HydrophobicContact CG2-SD 4.17Å; P35-M83 WeakPolarHBondContact CD-O 3.35Å; P35-M83 WeakPolarHBondContact CG-O 3.39Å; R80-M83 WeakPolarHBondContact O-CB 3.28Å; R80-M83 PolarHBondContact O-N 3.11Å; F81-M83 PolarHBondContact O-N 3.13Å; F81-M83 VanDerWaalsContact O-N 3.12Å; M83-L199 HydrophobicContact CG-CD1 3.88Å; M83-L199 HydrophobicContact SD-CD1 3.93Å
84F98.5Very high98.5Very high89 Ų8926.6 Ų26.639%0.3912%0.123SC..THydrogen-bonded Turntrans-118.5-20.7179.1-61.1-88.7000113.2W24 W26 R80 F81 T150W24-F84 AromaticContact CZ3-CE2 3.79Å; W24-F84 HydrophobicContact CZ3-CE2 3.79Å; W24-F84 HydrophobicContact CZ3-CZ 4.24Å; W26-F84 AromaticContact CH2-CE2 3.9Å; W26-F84 HydrophobicContact CH2-CE2 3.9Å; W26-F84 HydrophobicContact CH2-CZ 4.31Å; W26-F84 AromaticContact CZ2-CE2 3.83Å; W26-F84 HydrophobicContact CZ2-CE2 3.83Å; W26-F84 AromaticContact CZ2-CZ 3.89Å; W26-F84 HydrophobicContact CZ2-CZ 3.89Å; R80-F84 WeakPolarHBondContact O-CD2 3.5Å; F81-F84 PolarHBondContact O-N 3.43Å; F84-T150 HydrophobicContact CB-CG2 3.72Å; F84-T150 HydrophobicContact CD2-CG2 3.87Å; F84-T150 HydrophobicContact CG-CG2 3.98Å
85H98.6Very high98.5Very high35 Ų3526.6 Ų26.616%0.16212%0.123CC..SBendtrans-124.2157.1-179.5-62.2-67.9000113.2F81 Y82 F90 T150F81-H85 HydrophobicContact CD1-CB 4.05Å; F81-H85 AromaticContact CD1-CD2 3.99Å; F81-H85 AromaticContact CD2-CD2 3.74Å; F81-H85 HydrophobicContact CE1-CB 3.56Å; F81-H85 AromaticContact CE1-CD2 3.65Å; F81-H85 AromaticContact CE1-CG 3.8Å; F81-H85 AromaticContact CE2-CD2 3.39Å; F81-H85 WeakPolarHBondContact CE2-CD2 3.37Å; F81-H85 AromaticContact CE2-NE2 3.86Å; F81-H85 HydrophobicContact CZ-CB 4Å; F81-H85 AromaticContact CZ-CD2 3.33Å; F81-H85 WeakPolarHBondContact CZ-CD2 3.38Å; F81-H85 AromaticContact CZ-CG 3.7Å; F81-H85 PolarHBondContact O-N 2.82Å; F81-H85 VanDerWaalsContact O-N 3.09Å; Y82-H85 WeakPolarHBondContact CD1-O 3.46Å; H85-F90 HydrophobicContact CB-CD2 3.65Å; H85-F90 HydrophobicContact CB-CE2 3.96Å; H85-F90 HydrophobicContact CB-CG 4.44Å; H85-F90 AromaticContact CG-CD2 3.95Å; H85-F90 AromaticContact CG-CE2 3.77Å; H85-F90 AromaticContact ND1-CE2 3.4Å; H85-F90 WeakPolarHBondContact ND1-CE2 3.48Å; H85-F90 AromaticContact ND1-CZ 3.99Å; H85-T150 PolarHBondContact NE2-OG1 2.84Å
86S98.5Very high98.5Very high1 Ų126.5 Ų26.51%0.00712%0.123CC..  trans-93.6141.5178.61720000112.8S36 E39 K88 Q89 F90S36-S86 WeakPolarHBondContact OG-CA 3.4Å; E39-S86 WeakPolarHBondContact OE2-CB 3.32Å; E39-S86 PolarHBondContact OE2-OG 3.35Å; S86-K88 PolarHBondContact O-N 3.06Å; S86-K88 PolarHBondContact OG-N 2.87Å; S86-Q89 PolarHBondContact O-N 3Å; S86-Q89 VanDerWaalsContact O-N 3.11Å; S86-F90 PolarHBondContact O-N 3Å
87F98.6Very high98.5Very high17 Ų1726.1 Ų26.18%0.07512%0.121CC..THydrogen-bonded Turntrans-63.1-14.8168.3-78.8-70.4000114.1S36 L41 E46 Y49 R50 F78 Y82 R92S36-F87 WeakPolarHBondContact OG-CD2 3.46Å; S36-F87 PolarHBondContact OG-N 3.27Å; L41-F87 HydrophobicContact CD2-CB 4.06Å; L41-F87 HydrophobicContact CD2-CD2 4.41Å; E46-F87 HydrophobicContact CG-CD2 3.73Å; E46-F87 HydrophobicContact CG-CE2 3.71Å; Y49-F87 HydrophobicContact CD2-CB 3.83Å; Y49-F87 HydrophobicContact CD2-CD1 4.22Å; Y49-F87 HydrophobicContact CD2-CD2 4.4Å; Y49-F87 AromaticContact CD2-CG 3.92Å; Y49-F87 HydrophobicContact CD2-CG 3.92Å; Y49-F87 HydrophobicContact CE2-CB 4.38Å; R50-F87 HydrophobicContact CG-CE2 3.8Å; R50-F87 HydrophobicContact CG-CZ 3.71Å; F78-F87 HydrophobicContact CE1-CZ 4.48Å; F78-F87 HydrophobicContact CE2-CE1 4.32Å; F78-F87 AromaticContact CZ-CE1 3.88Å; F78-F87 HydrophobicContact CZ-CE1 3.88Å; F78-F87 AromaticContact CZ-CZ 3.98Å; F78-F87 HydrophobicContact CZ-CZ 3.98Å; Y82-F87 AromaticContact CD1-CD1 3.78Å; Y82-F87 HydrophobicContact CD1-CD1 3.78Å; Y82-F87 AromaticContact CD1-CD2 3.82Å; Y82-F87 HydrophobicContact CD1-CD2 3.82Å; Y82-F87 AromaticContact CD1-CE1 3.81Å; Y82-F87 HydrophobicContact CD1-CE1 3.81Å; Y82-F87 AromaticContact CD1-CE2 3.84Å; Y82-F87 HydrophobicContact CD1-CE2 3.84Å; Y82-F87 AromaticContact CD1-CG 3.79Å; Y82-F87 HydrophobicContact CD1-CG 3.79Å; Y82-F87 AromaticContact CD1-CZ 3.84Å; Y82-F87 HydrophobicContact CD1-CZ 3.84Å; Y82-F87 HydrophobicContact CD2-CD1 4.32Å; Y82-F87 AromaticContact CD2-CE1 3.55Å; Y82-F87 HydrophobicContact CD2-CE1 3.55Å; Y82-F87 HydrophobicContact CD2-CE2 4.15Å; Y82-F87 AromaticContact CD2-CZ 3.45Å; Y82-F87 HydrophobicContact CD2-CZ 3.45Å; Y82-F87 VanDerWaalsContact CD2-CZ 3.45Å; Y82-F87 HydrophobicContact CE1-CB 4.31Å; Y82-F87 AromaticContact CE1-CD1 3.37Å; Y82-F87 HydrophobicContact CE1-CD1 3.37Å; Y82-F87 HydrophobicContact CE1-CD2 4.23Å; Y82-F87 AromaticContact CE1-CE1 3.62Å; Y82-F87 HydrophobicContact CE1-CE1 3.62Å; Y82-F87 HydrophobicContact CE1-CE2 4.43Å; Y82-F87 AromaticContact CE1-CG 3.71Å; Y82-F87 HydrophobicContact CE1-CG 3.71Å; Y82-F87 HydrophobicContact CE1-CZ 4.15Å; Y82-F87 AromaticContact CE2-CD1 3.97Å; Y82-F87 HydrophobicContact CE2-CD1 3.97Å; Y82-F87 AromaticContact CE2-CE1 3.34Å; Y82-F87 HydrophobicContact CE2-CE1 3.34Å; Y82-F87 AromaticContact CE2-CZ 3.79Å; Y82-F87 HydrophobicContact CE2-CZ 3.79Å; Y82-F87 HydrophobicContact CG-CD1 4.24Å; Y82-F87 HydrophobicContact CG-CD2 4.17Å; Y82-F87 AromaticContact CG-CE1 3.78Å; Y82-F87 HydrophobicContact CG-CE1 3.78Å; Y82-F87 AromaticContact CG-CE2 3.69Å; Y82-F87 HydrophobicContact CG-CE2 3.69Å; Y82-F87 HydrophobicContact CG-CG 4.43Å; Y82-F87 AromaticContact CG-CZ 3.48Å; Y82-F87 HydrophobicContact CG-CZ 3.48Å; Y82-F87 VanDerWaalsContact CG-CZ 3.48Å; Y82-F87 AromaticContact CZ-CD1 3.46Å; Y82-F87 VanDerWaalsContact CZ-CD1 3.46Å; Y82-F87 AromaticContact CZ-CE1 3.37Å; F87-R92 HydrophobicContact CD1-CB 3.91Å; F87-R92 HydrophobicContact CE1-CB 3.71Å
88K97.6Very high98.5Very high114 Ų11426.1 Ų26.150%0.49612%0.121SC..THydrogen-bonded Turntrans-79.8-26.4172.9-54.9-173.1-179.3-173.10112.4E39 G40 S86E39-K88 HydrophobicContact CB-CD 4.13Å; E39-K88 PolarHBondContact O-NZ 3.22Å; E39-K88 WeakPolarHBondContact OE2-CB 3.4Å; G40-K88 PolarHBondContact O-NZ 3.32Å; S86-K88 PolarHBondContact O-N 3.06Å; S86-K88 PolarHBondContact OG-N 2.87Å
89Q97.5Very high98.5Very high118 Ų11826.1 Ų26.155%0.55112%0.121SC*.THydrogen-bonded Turntrans-93.4-41.6178.6-61.4-175.520.500112.2E39 S86E39-Q89 PolarHBondContact OE1-NE2 3.48Å; S86-Q89 PolarHBondContact O-N 3Å; S86-Q89 VanDerWaalsContact O-N 3.11Å
90F98.4Very high98.5Very high37 Ų3726.2 Ų26.216%0.16212%0.121CC..SBendtrans-114.3112.5-174.1-69.5-87000111.6F81 Y82 H85 S86 R92 L143 I146F81-F90 HydrophobicContact CE1-CB 3.81Å; F81-F90 HydrophobicContact CE1-CD1 4.21Å; F81-F90 HydrophobicContact CE1-CD2 4.23Å; F81-F90 AromaticContact CE1-CG 3.81Å; F81-F90 HydrophobicContact CE1-CG 3.81Å; F81-F90 HydrophobicContact CZ-CB 4.27Å; F81-F90 AromaticContact CZ-CD1 3.79Å; F81-F90 HydrophobicContact CZ-CD1 3.79Å; F81-F90 HydrophobicContact CZ-CD2 4.24Å; F81-F90 HydrophobicContact CZ-CE1 4.15Å; F81-F90 AromaticContact CZ-CG 3.82Å; F81-F90 HydrophobicContact CZ-CG 3.82Å; Y82-F90 HydrophobicContact CE1-CB 4.15Å; Y82-F90 PolarHBondContact OH-O 2.52Å; H85-F90 HydrophobicContact CB-CD2 3.65Å; H85-F90 HydrophobicContact CB-CE2 3.96Å; H85-F90 HydrophobicContact CB-CG 4.44Å; H85-F90 AromaticContact CG-CD2 3.95Å; H85-F90 AromaticContact CG-CE2 3.77Å; H85-F90 AromaticContact ND1-CE2 3.4Å; H85-F90 WeakPolarHBondContact ND1-CE2 3.48Å; H85-F90 AromaticContact ND1-CZ 3.99Å; S86-F90 PolarHBondContact O-N 3Å; F90-R92 PolarHBondContact O-N 3.18Å; F90-L143 HydrophobicContact CD1-CD1 3.54Å; F90-L143 HydrophobicContact CE1-CD1 3.7Å; F90-I146 HydrophobicContact CE1-CD1 3.9Å; F90-I146 HydrophobicContact CE1-CG2 4.38Å; F90-I146 HydrophobicContact CZ-CD1 4.29Å; F90-I146 HydrophobicContact CZ-CG2 4.33Å
91P98Very high98.5Very high49 Ų4926.6 Ų26.632%0.31812%0.123SC..  trans-67.8125.3-177.3-21.533.3000113.7Y93 V94 T95 Q131P91-Y93 VanDerWaalsContact C-N 3.3Å; P91-Y93 PolarHBondContact O-N 3.37Å; P91-Y93 VanDerWaalsContact O-N 3.12Å; P91-V94 HydrophobicContact CB-CG2 4.13Å; P91-V94 PolarHBondContact O-N 3.47Å; P91-T95 PolarHBondContact O-N 3.5Å; P91-T95 VanDerWaalsContact O-N 3.11Å; P91-T95 PolarHBondContact O-OG1 2.72Å; P91-Q131 HydrophobicContact CB-CB 3.71Å; P91-Q131 HydrophobicContact CB-CG 3.94Å; P91-Q131 HydrophobicContact CG-CB 4.49Å
92R98.6Very high98.5Very high37 Ų3726.9 Ų26.914%0.1413%0.125CC..Hα-helixtrans-54.8-34.9-169.666.2-168.2170.9-75.27.9115.6Y49 E52 F78 Y82 F87 F90 G96Y49-R92 VanDerWaalsContact CD1-CZ 3.5Å; E52-R92 IonicContact OE2-CZ 2.66Å; E52-R92 IonicContact OE2-NE 2.71Å; E52-R92 PolarHBondContact OE2-NE 3.12Å; E52-R92 IonicContact OE2-NH2 3.17Å; E52-R92 PolarHBondContact OE2-NH2 3.19Å; F78-R92 HydrophobicContact CE2-CB 4.16Å; F78-R92 HydrophobicContact CZ-CB 4.38Å; Y82-R92 WeakPolarHBondContact OH-CA 3.29Å; F87-R92 HydrophobicContact CD1-CB 3.91Å; F87-R92 HydrophobicContact CE1-CB 3.71Å; F90-R92 PolarHBondContact O-N 3.18Å; R92-G96 PolarHBondContact O-N 3.18Å
93Y98.7Very high98.5Very high8 Ų826.9 Ų26.93%0.03113%0.125CC..Hα-helixtrans-77.6-31.5-179.5-58.4-55.3000112.5E52 F56 P91 A97 L124 Q128 Q131 F132E52-Y93 HydrophobicContact CB-CE1 4.45Å; E52-Y93 PolarHBondContact OE2-OH 2.98Å; F56-Y93 HydrophobicContact CB-CD1 3.78Å; F56-Y93 HydrophobicContact CB-CE1 3.9Å; F56-Y93 AromaticContact CD1-CD1 3.89Å; F56-Y93 HydrophobicContact CD1-CD1 3.89Å; F56-Y93 AromaticContact CD2-CD1 3.86Å; F56-Y93 HydrophobicContact CD2-CD1 3.86Å; F56-Y93 HydrophobicContact CD2-CE1 4.42Å; F56-Y93 HydrophobicContact CE1-CD1 4.43Å; F56-Y93 WeakPolarHBondContact CE1-O 3.19Å; F56-Y93 HydrophobicContact CE2-CD1 4.4Å; F56-Y93 AromaticContact CG-CD1 3.56Å; F56-Y93 HydrophobicContact CG-CD1 3.56Å; F56-Y93 HydrophobicContact CG-CE1 4.15Å; P91-Y93 VanDerWaalsContact C-N 3.3Å; P91-Y93 PolarHBondContact O-N 3.37Å; P91-Y93 VanDerWaalsContact O-N 3.12Å; Y93-A97 WeakPolarHBondContact O-CB 3.23Å; Y93-A97 PolarHBondContact O-N 3.34Å; Y93-L124 HydrophobicContact CD1-CD1 4.33Å; Y93-L124 HydrophobicContact CD1-CD2 4.02Å; Y93-L124 HydrophobicContact CD2-CD1 4.02Å; Y93-L124 HydrophobicContact CD2-CD2 4.24Å; Y93-L124 HydrophobicContact CE1-CD2 3.97Å; Y93-L124 HydrophobicContact CE2-CD2 4.26Å; Y93-L124 HydrophobicContact CG-CD1 3.79Å; Y93-L124 HydrophobicContact CG-CD2 4.16Å; Y93-Q128 HydrophobicContact CD2-CB 4.11Å; Y93-Q128 HydrophobicContact CE2-CB 3.82Å; Y93-Q128 HydrophobicContact CE2-CG 3.81Å; Y93-Q128 PolarHBondContact OH-NE2 3.27Å; Y93-Q128 VanDerWaalsContact OH-NE2 3.07Å; Y93-Q131 VanDerWaalsContact CD2-OE1 3.27Å; Y93-F132 VanDerWaalsContact O-CZ 3.29Å; Y93-F132 WeakPolarHBondContact O-CZ 3.46Å
94V98.7Very high98.5Very high4 Ų426.1 Ų26.12%0.02412%0.122CC..Hα-helixtrans-68.6-47.2173.3-170.10000109.7P91 G96 A97 C98 Q131 F132 E139 V140 L143P91-V94 HydrophobicContact CB-CG2 4.13Å; P91-V94 PolarHBondContact O-N 3.47Å; V94-G96 VanDerWaalsContact C-N 3.34Å; V94-G96 PolarHBondContact O-N 2.87Å; V94-A97 PolarHBondContact O-N 3.3Å; V94-C98 WeakPolarHBondContact O-CB 3.4Å; V94-C98 PolarHBondContact O-N 2.79Å; V94-Q131 HydrophobicContact CG2-CB 4.27Å; V94-Q131 WeakPolarHBondContact CG2-O 3.45Å; V94-F132 HydrophobicContact CB-CD1 4.4Å; V94-F132 HydrophobicContact CB-CE1 4.33Å; V94-F132 HydrophobicContact CG1-CD1 4.31Å; V94-F132 HydrophobicContact CG1-CE1 4.41Å; V94-F132 HydrophobicContact CG2-CB 4.38Å; V94-F132 HydrophobicContact CG2-CD1 3.86Å; V94-F132 HydrophobicContact CG2-CD2 4.14Å; V94-F132 HydrophobicContact CG2-CE1 4.14Å; V94-F132 HydrophobicContact CG2-CE2 4.41Å; V94-F132 HydrophobicContact CG2-CG 3.85Å; V94-F132 HydrophobicContact CG2-CZ 4.41Å; V94-E139 HydrophobicContact CG1-CB 4.12Å; V94-V140 HydrophobicContact CG1-CG2 3.98Å; V94-L143 HydrophobicContact CB-CD2 4.29Å; V94-L143 HydrophobicContact CG1-CD2 3.82Å
95T98.9Very high98.5Very high1 Ų125.4 Ų25.41%0.00612%0.118CC..Hα-helixtrans-58.2-45.2173.7-49.70000111.5F78 F81 Y82 P91 A97 C98 C99F78-T95 HydrophobicContact CD2-CG2 4.02Å; F81-T95 HydrophobicContact CB-CG2 4.44Å; F81-T95 HydrophobicContact CD1-CG2 3.62Å; F81-T95 HydrophobicContact CE1-CG2 3.92Å; F81-T95 HydrophobicContact CG-CG2 3.96Å; Y82-T95 HydrophobicContact CE2-CG2 3.68Å; Y82-T95 WeakPolarHBondContact OH-CB 3.16Å; Y82-T95 PolarHBondContact OH-OG1 3.13Å; P91-T95 PolarHBondContact O-N 3.5Å; P91-T95 VanDerWaalsContact O-N 3.11Å; P91-T95 PolarHBondContact O-OG1 2.72Å; T95-A97 PolarHBondContact O-N 2.92Å; T95-C98 WeakPolarHBondContact O-CB 3.46Å; T95-C98 PolarHBondContact O-N 2.91Å; T95-C99 WeakPolarHBondContact O-CB 3.48Å; T95-C99 PolarHBondContact O-N 3.43Å; T95-C99 PolarHBondContact O-SG 2.91Å
96G98.8Very high98.5Very high0 Ų025.2 Ų25.20%012%0.12CC..Hα-helixtrans-61-43.3176.900000113.4R92 V94 C98 C99 L100R92-G96 PolarHBondContact O-N 3.18Å; V94-G96 VanDerWaalsContact C-N 3.34Å; V94-G96 PolarHBondContact O-N 2.87Å; G96-C98 VanDerWaalsContact C-N 3.33Å; G96-C98 PolarHBondContact O-N 3.47Å; G96-C99 PolarHBondContact O-N 3.03Å; G96-L100 WeakPolarHBondContact O-CB 3.39Å; G96-L100 PolarHBondContact O-N 2.88Å
97A98.9Very high98.5Very high1 Ų127.8 Ų27.81%0.00813%0.132CC..Hα-helixtrans-65.1-37.9176.600000112F56 Y93 V94 T95 F101 I116 F132 V140F56-A97 HydrophobicContact CE1-CB 4.23Å; F56-A97 HydrophobicContact CZ-CB 4.43Å; Y93-A97 WeakPolarHBondContact O-CB 3.23Å; Y93-A97 PolarHBondContact O-N 3.34Å; V94-A97 PolarHBondContact O-N 3.3Å; T95-A97 PolarHBondContact O-N 2.92Å; A97-F101 WeakPolarHBondContact O-CB 3.5Å; A97-F101 PolarHBondContact O-N 3.49Å; A97-I116 HydrophobicContact CB-CG2 3.91Å; A97-F132 HydrophobicContact CB-CE1 3.77Å; A97-F132 HydrophobicContact CB-CZ 3.85Å; A97-V140 HydrophobicContact CB-CG2 4.14Å
98C98.8Very high98.4Very high1 Ų134.9 Ų34.91%0.00717%0.165CC..Hα-helixtrans-65.9-47.9174.7-173.90000112.5V94 T95 G96 L100 F101 L102 V140 L143 E144V94-C98 WeakPolarHBondContact O-CB 3.4Å; V94-C98 PolarHBondContact O-N 2.79Å; T95-C98 WeakPolarHBondContact O-CB 3.46Å; T95-C98 PolarHBondContact O-N 2.91Å; G96-C98 VanDerWaalsContact C-N 3.33Å; G96-C98 PolarHBondContact O-N 3.47Å; C98-L100 VanDerWaalsContact C-N 3.32Å; C98-L100 PolarHBondContact O-N 2.96Å; C98-F101 WeakPolarHBondContact O-CB 3.42Å; C98-F101 PolarHBondContact O-N 3.06Å; C98-L102 PolarHBondContact O-N 3.35Å; C98-V140 HydrophobicContact CB-CG1 4.18Å; C98-L143 HydrophobicContact CB-CB 4.44Å; C98-L143 HydrophobicContact CB-CD2 4.02Å; C98-L143 HydrophobicContact CB-CG 4.19Å; C98-L143 VanDerWaalsContact SG-C 3.59Å; C98-E144 WeakPolarHBondContact SG-CA 3.28Å; C98-E144 PolarHBondContact SG-N 2.96Å
99C98.9Very high98.4Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-62.6-38.4177.5-64.50000112.2G74 F78 T95 G96 A103 L147G74-C99 VanDerWaalsContact O-CB 3.23Å; G74-C99 WeakPolarHBondContact O-CB 3.41Å; F78-C99 HydrophobicContact CB-CB 4.22Å; T95-C99 WeakPolarHBondContact O-CB 3.48Å; T95-C99 PolarHBondContact O-N 3.43Å; T95-C99 PolarHBondContact O-SG 2.91Å; G96-C99 PolarHBondContact O-N 3.03Å; C99-A103 VanDerWaalsContact O-CB 3.23Å; C99-A103 WeakPolarHBondContact O-CB 3.49Å; C99-A103 PolarHBondContact O-N 3.11Å; C99-L147 HydrophobicContact CB-CD2 4.29Å
100L98.8Very high98.4Very high2 Ų230 Ų301%0.0116%0.155CC..Hα-helixtrans-69.3-36.3174.5-173.359.9000112.7I57 V60 L66 L71 G96 C98 G104I57-L100 HydrophobicContact CG2-CB 4.25Å; I57-L100 HydrophobicContact CG2-CD1 4.04Å; V60-L100 HydrophobicContact CB-CD2 3.93Å; V60-L100 HydrophobicContact CG1-CD2 3.6Å; L66-L100 HydrophobicContact CD1-CD1 3.6Å; L66-L100 HydrophobicContact CD1-CD2 4.43Å; L66-L100 HydrophobicContact CD1-CG 4.08Å; L71-L100 HydrophobicContact CD2-CD1 4.26Å; G96-L100 WeakPolarHBondContact O-CB 3.39Å; G96-L100 PolarHBondContact O-N 2.88Å; C98-L100 VanDerWaalsContact C-N 3.32Å; C98-L100 PolarHBondContact O-N 2.96Å; L100-G104 PolarHBondContact O-N 3.27Å
101F98.7Very high98.4Very high25 Ų2531.3 Ų31.311%0.1116%0.16CC..Hα-helixtrans-64.3-43.2174.2176.7-119.5000111.9A97 C98 K105 C113 I116 V140 M141 E144A97-F101 WeakPolarHBondContact O-CB 3.5Å; A97-F101 PolarHBondContact O-N 3.49Å; C98-F101 WeakPolarHBondContact O-CB 3.42Å; C98-F101 PolarHBondContact O-N 3.06Å; F101-K105 HydrophobicContact CZ-CD 4.27Å; F101-K105 PolarHBondContact O-N 2.99Å; F101-C113 HydrophobicContact CD2-CB 4.1Å; F101-C113 HydrophobicContact CE2-CB 4Å; F101-C113 HydrophobicContact CG-CB 4.48Å; F101-C113 HydrophobicContact CZ-CB 4.28Å; F101-I116 HydrophobicContact CB-CD1 3.63Å; F101-I116 HydrophobicContact CD2-CD1 3.91Å; F101-I116 HydrophobicContact CG-CD1 4.23Å; F101-V140 HydrophobicContact CD1-CG1 4.5Å; F101-M141 HydrophobicContact CE1-CE 4.25Å; F101-M141 HydrophobicContact CE1-SD 3.82Å; F101-M141 HydrophobicContact CZ-SD 4.19Å; F101-E144 VanDerWaalsContact CD1-OE1 3.3Å; F101-E144 WeakPolarHBondContact CD1-OE1 3.23Å; F101-E144 WeakPolarHBondContact CE1-OE1 3.42Å
102L98.8Very high98.4Very high7 Ų736.4 Ų36.44%0.03718%0.177CC..Hα-helixtrans-67.2-48.3175.4-179.358.3000111.6Y77 C98 G104 K105 V106 L147 L148 I151 L155Y77-L102 HydrophobicContact CD2-CD2 4.3Å; Y77-L102 HydrophobicContact CD2-CG 4.43Å; Y77-L102 HydrophobicContact CE2-CD2 4.13Å; Y77-L102 HydrophobicContact CE2-CG 4.01Å; C98-L102 PolarHBondContact O-N 3.35Å; L102-G104 VanDerWaalsContact C-N 3.31Å; L102-G104 PolarHBondContact O-N 2.94Å; L102-K105 WeakPolarHBondContact O-CB 3.3Å; L102-K105 PolarHBondContact O-N 3.4Å; L102-V106 HydrophobicContact CD1-CG2 4.21Å; L102-V106 HydrophobicContact CG-CG2 4.42Å; L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.44Å; L102-L147 HydrophobicContact CB-CD2 4.14Å; L102-L147 HydrophobicContact CD2-CD2 3.67Å; L102-L147 HydrophobicContact CD2-CG 3.99Å; L102-L148 HydrophobicContact CD1-CD2 3.91Å; L102-L148 HydrophobicContact CD2-CD2 3.8Å; L102-L148 HydrophobicContact CD2-CG 4.21Å; L102-I151 HydrophobicContact CD2-CD1 3.76Å; L102-L155 HydrophobicContact CD2-CD2 4.14Å
103A98.8Very high98.4Very high0 Ų035.2 Ų35.20%018%0.175CC..Hα-helixtrans-57.5-42.6177.800000112.1T70 T73 Y77 C99 K105 V106 E107T70-A103 HydrophobicContact CG2-CB 4.23Å; T73-A103 HydrophobicContact CG2-CB 3.81Å; Y77-A103 HydrophobicContact CD2-CB 4.3Å; Y77-A103 HydrophobicContact CE2-CB 4.15Å; C99-A103 VanDerWaalsContact O-CB 3.23Å; C99-A103 WeakPolarHBondContact O-CB 3.49Å; C99-A103 PolarHBondContact O-N 3.11Å; A103-K105 PolarHBondContact O-N 3.18Å; A103-V106 PolarHBondContact O-N 2.82Å; A103-V106 VanDerWaalsContact O-N 3.14Å; A103-E107 WeakPolarHBondContact O-CB 3.42Å; A103-E107 WeakPolarHBondContact O-CG 3.38Å; A103-E107 PolarHBondContact O-N 2.97Å
104G98.6Very high98.4Very high2 Ų241.6 Ų41.62%0.02120%0.203CC..Hα-helixtrans-59-30.9174.900000113.9L100 L102 T109 P110L100-G104 PolarHBondContact O-N 3.27Å; L102-G104 VanDerWaalsContact C-N 3.31Å; L102-G104 PolarHBondContact O-N 2.94Å; G104-T109 CarbonylContact O-C 3.44Å; G104-T109 WeakPolarHBondContact O-CA 3.3Å; G104-T109 PolarHBondContact O-N 3.18Å; G104-P110 VanDerWaalsContact O-CA 3.23Å; G104-P110 WeakPolarHBondContact O-CA 3.34Å; G104-P110 WeakPolarHBondContact O-CD 3.25Å
105K98.2Very high98.4Very high74 Ų7443.8 Ų43.832%0.32221%0.214SC..Hα-helixtrans-77-40.5173.5-68.8-178.7-68174.70112.4F101 L102 A103 P110 E144F101-K105 HydrophobicContact CZ-CD 4.27Å; F101-K105 PolarHBondContact O-N 2.99Å; L102-K105 WeakPolarHBondContact O-CB 3.3Å; L102-K105 PolarHBondContact O-N 3.4Å; A103-K105 PolarHBondContact O-N 3.18Å; K105-P110 HydrophobicContact CG-CB 4.31Å; K105-E144 VanDerWaalsContact CE-OE1 3.3Å; K105-E144 WeakPolarHBondContact CE-OE1 3.46Å; K105-E144 IonicContact NZ-OE1 2.86Å; K105-E144 PolarHBondContact NZ-OE1 3.47Å; K105-E144 IonicContact NZ-OE2 2.76Å; K105-E144 PolarHBondContact NZ-OE2 3.1Å
106V98.2Very high98.3Very high31 Ų3143.9 Ų43.919%0.18821%0.214CC..Hα-helixtrans-69.3-39.2-1781720000112.1L102 A103 E108 L155L102-V106 HydrophobicContact CD1-CG2 4.21Å; L102-V106 HydrophobicContact CG-CG2 4.42Å; L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.44Å; A103-V106 PolarHBondContact O-N 2.82Å; A103-V106 VanDerWaalsContact O-N 3.14Å; V106-E108 PolarHBondContact O-N 2.82Å; V106-L155 HydrophobicContact CG1-CB 4.21Å; V106-L155 VanDerWaalsContact CG1-O 3.24Å; V106-L155 WeakPolarHBondContact CG1-O 3.41Å; V106-L155 HydrophobicContact CG2-CB 4.08Å; V106-L155 HydrophobicContact CG2-CD1 4Å; V106-L155 HydrophobicContact CG2-CD2 4.36Å; V106-L155 HydrophobicContact CG2-CG 4.37Å
107E97.7Very high98.3Very high56 Ų5644.9 Ų44.926%0.26222%0.219SC..THydrogen-bonded Turntrans-89.125.2-180-55.1-66.516600112.4T70 T73 A103 T109T70-E107 HydrophobicContact CG2-CB 4.04Å; T70-E107 HydrophobicContact CG2-CG 4.12Å; T73-E107 WeakPolarHBondContact CB-OE1 3.37Å; T73-E107 HydrophobicContact CG2-CG 4.37Å; T73-E107 WeakPolarHBondContact CG2-OE1 3.41Å; T73-E107 PolarHBondContact OG1-OE1 3.23Å; A103-E107 WeakPolarHBondContact O-CB 3.42Å; A103-E107 WeakPolarHBondContact O-CG 3.38Å; A103-E107 PolarHBondContact O-N 2.97Å; E107-T109 WeakPolarHBondContact O-CG2 3.38Å; E107-T109 PolarHBondContact O-N 3.45Å; E107-T109 PolarHBondContact O-OG1 3.15Å
108E97.6Very high98.3Very high165 Ų16551.1 Ų51.177%0.77125%0.246SC*.THydrogen-bonded Turntrans45.332.2178.9-65.6-62.3154.600115.1V106V106-E108 PolarHBondContact O-N 2.82Å
109T97.3Very high98.3Very high48 Ų4851.9 Ų51.929%0.29425%0.251SS..  trans-125.641.7-177.140.20000112.9L66 T70 G104 E107L66-T109 VanDerWaalsContact CD2-O 3.25Å; L66-T109 WeakPolarHBondContact CD2-O 3.19Å; T70-T109 PolarHBondContact OG1-OG1 3.13Å; G104-T109 CarbonylContact O-C 3.44Å; G104-T109 WeakPolarHBondContact O-CA 3.3Å; G104-T109 PolarHBondContact O-N 3.18Å; E107-T109 WeakPolarHBondContact O-CG2 3.38Å; E107-T109 PolarHBondContact O-N 3.45Å; E107-T109 PolarHBondContact O-OG1 3.15Å
110P97.8Very high98.3Very high83 Ų8351.9 Ų51.954%0.53925%0.251SS..  trans-65.1140.1-16225.9-36.4000113.7G104 K105G104-P110 VanDerWaalsContact O-CA 3.23Å; G104-P110 WeakPolarHBondContact O-CA 3.34Å; G104-P110 WeakPolarHBondContact O-CD 3.25Å; K105-P110 HydrophobicContact CG-CB 4.31Å
111K98.3Very high98.2Very high64 Ų6457.4 Ų57.428%0.27827%0.272SS..  trans-116.6147.5170.8-51.7-67.3170.9162.60108.9L64 G65 L66 C113 I116L64-K111 HydrophobicContact CB-CD 4.4Å; L64-K111 HydrophobicContact CB-CG 4.38Å; L64-K111 HydrophobicContact CD1-CB 4.46Å; L64-K111 HydrophobicContact CD1-CG 4.32Å; L64-K111 WeakPolarHBondContact O-CE 3.35Å; L64-K111 PolarHBondContact O-NZ 3.26Å; G65-K111 PolarHBondContact O-NZ 3.09Å; G65-K111 VanDerWaalsContact O-NZ 3.15Å; L66-K111 HydrophobicContact CD1-CG 4.22Å; L66-K111 HydrophobicContact CD2-CD 4.24Å; L66-K111 HydrophobicContact CD2-CG 3.94Å; L66-K111 HydrophobicContact CG-CG 4.21Å; K111-C113 PolarHBondContact O-N 3.42Å; K111-I116 HydrophobicContact CB-CD1 4.36Å; K111-I116 HydrophobicContact CB-CG1 4.25Å
112K98Very high98.2Very high156 Ų15659.3 Ų59.368%0.67829%0.288SS*.  trans-68.7133.7177.2-58.9173.9-176.8172.20108.7K114 D115 I116K112-K114 PolarHBondContact O-N 3.36Å; K112-K114 VanDerWaalsContact O-N 3.16Å; K112-D115 WeakPolarHBondContact CB-OD2 3.4Å; K112-D115 PolarHBondContact O-N 2.88Å; K112-I116 PolarHBondContact O-N 3.43Å
113C98Very high98.1Very high12 Ų1261.2 Ų61.28%0.08130%0.298CS..Hα-helixtrans-49.7-42.9176.3170.30000112.1F101 K111 D115 I116 I117 M141F101-C113 HydrophobicContact CD2-CB 4.1Å; F101-C113 HydrophobicContact CE2-CB 4Å; F101-C113 HydrophobicContact CG-CB 4.48Å; F101-C113 HydrophobicContact CZ-CB 4.28Å; K111-C113 PolarHBondContact O-N 3.42Å; C113-D115 PolarHBondContact O-N 2.94Å; C113-D115 VanDerWaalsContact O-N 3.12Å; C113-I116 WeakPolarHBondContact O-CB 3.12Å; C113-I116 PolarHBondContact O-N 2.77Å; C113-I116 VanDerWaalsContact O-N 3.09Å; C113-I117 WeakPolarHBondContact O-CG1 3.5Å; C113-I117 PolarHBondContact O-N 2.66Å; C113-M141 HydrophobicContact CB-SD 4.47Å
114K98Very high98.1Very high142 Ų14262 Ų6262%0.61730%0.303SS*.Hα-helixtrans-55-31.3174.6-71.6-166.1175.2-170.90114.5K112 K118 K137K112-K114 PolarHBondContact O-N 3.36Å; K112-K114 VanDerWaalsContact O-N 3.16Å; K114-K118 VanDerWaalsContact O-CG 3.27Å; K114-K118 WeakPolarHBondContact O-CG 3.41Å; K114-K118 PolarHBondContact O-N 2.97Å; K114-K118 VanDerWaalsContact O-N 3.14Å; K114-K137 HydrophobicContact CG-CD 4.39Å; K114-K137 HydrophobicContact CG-CG 4.5Å
115D98.5Very high98Very high50 Ų5066.2 Ų66.227%0.26733%0.325SS..Hα-helixtrans-85.8-29.8-179.7-59.6-37.7000111.6L64 K112 C113 K118 T119L64-D115 HydrophobicContact CD2-CB 4.46Å; K112-D115 WeakPolarHBondContact CB-OD2 3.4Å; K112-D115 PolarHBondContact O-N 2.88Å; C113-D115 PolarHBondContact O-N 2.94Å; C113-D115 VanDerWaalsContact O-N 3.12Å; D115-K118 WeakPolarHBondContact OD1-CE 3.42Å; D115-K118 IonicContact OD1-NZ 2.72Å; D115-K118 PolarHBondContact OD1-NZ 2.97Å; D115-T119 WeakPolarHBondContact O-CB 3.27Å; D115-T119 PolarHBondContact O-N 3.03Å; D115-T119 PolarHBondContact O-OG1 2.92Å
116I98.6Very high98Very high2 Ų268 Ų681%0.0134%0.337CS..Hα-helixtrans-61.3-47.8166-62.9171000110.2V60 L64 A97 F101 K111 K112 C113 T119 A120V60-I116 HydrophobicContact CG1-CG2 4.09Å; L64-I116 HydrophobicContact CD1-CB 4.43Å; L64-I116 HydrophobicContact CD1-CG1 3.69Å; A97-I116 HydrophobicContact CB-CG2 3.91Å; F101-I116 HydrophobicContact CB-CD1 3.63Å; F101-I116 HydrophobicContact CD2-CD1 3.91Å; F101-I116 HydrophobicContact CG-CD1 4.23Å; K111-I116 HydrophobicContact CB-CD1 4.36Å; K111-I116 HydrophobicContact CB-CG1 4.25Å; K112-I116 PolarHBondContact O-N 3.43Å; C113-I116 WeakPolarHBondContact O-CB 3.12Å; C113-I116 PolarHBondContact O-N 2.77Å; C113-I116 VanDerWaalsContact O-N 3.09Å; I116-T119 PolarHBondContact O-N 3.46Å; I116-A120 WeakPolarHBondContact O-CB 3.33Å; I116-A120 PolarHBondContact O-N 3.46Å
117I98.5Very high97.9Very high21 Ų2172.6 Ų72.611%0.10837%0.365CS..Hα-helixtrans-61.2-44.5177.6-64.7-54.8000112.3C113 T119 A120 R121 F129 F132 P136 V140C113-I117 WeakPolarHBondContact O-CG1 3.5Å; C113-I117 PolarHBondContact O-N 2.66Å; I117-T119 VanDerWaalsContact C-N 3.32Å; I117-T119 PolarHBondContact O-N 3.21Å; I117-A120 PolarHBondContact O-N 3.2Å; I117-R121 WeakPolarHBondContact O-CB 3.3Å; I117-R121 PolarHBondContact O-N 2.9Å; I117-F129 HydrophobicContact CG2-CE2 4.4Å; I117-F129 HydrophobicContact CG2-CZ 4.08Å; I117-F132 HydrophobicContact CD1-CD1 3.68Å; I117-F132 HydrophobicContact CD1-CE1 3.49Å; I117-F132 VanDerWaalsContact CD1-CE1 3.49Å; I117-F132 HydrophobicContact CD1-CZ 4.45Å; I117-P136 HydrophobicContact CD1-CB 4.07Å; I117-P136 VanDerWaalsContact CD1-O 3.25Å; I117-P136 WeakPolarHBondContact CD1-O 3.48Å; I117-P136 HydrophobicContact CG1-CB 4.35Å; I117-P136 HydrophobicContact CG2-CB 3.71Å; I117-V140 HydrophobicContact CD1-CG2 3.98Å
118K98.4Very high97.9Very high132 Ų13272.3 Ų72.357%0.57436%0.364SS*.Hα-helixtrans-57.8-45173.4-73.4168.2-164.4166.30111.7K114 D115 R121 S122K114-K118 VanDerWaalsContact O-CG 3.27Å; K114-K118 WeakPolarHBondContact O-CG 3.41Å; K114-K118 PolarHBondContact O-N 2.97Å; K114-K118 VanDerWaalsContact O-N 3.14Å; D115-K118 WeakPolarHBondContact OD1-CE 3.42Å; D115-K118 IonicContact OD1-NZ 2.72Å; D115-K118 PolarHBondContact OD1-NZ 2.97Å; K118-R121 PolarHBondContact O-N 2.8Å; K118-S122 PolarHBondContact O-N 3.41Å
119T98.5Very high97.9Very high18 Ų1865.7 Ų65.711%0.1133%0.333CS..Hα-helixtrans-66.2-41.3179.9-61.50000111.3V60 R63 L64 D115 I116 I117 R121 S122 L123V60-T119 HydrophobicContact CB-CG2 4.21Å; V60-T119 HydrophobicContact CG1-CG2 3.87Å; V60-T119 HydrophobicContact CG2-CG2 4.34Å; R63-T119 HydrophobicContact CB-CG2 3.61Å; R63-T119 HydrophobicContact CG-CG2 4.4Å; L64-T119 HydrophobicContact CG-CG2 4.43Å; D115-T119 WeakPolarHBondContact O-CB 3.27Å; D115-T119 PolarHBondContact O-N 3.03Å; D115-T119 PolarHBondContact O-OG1 2.92Å; I116-T119 PolarHBondContact O-N 3.46Å; I117-T119 VanDerWaalsContact C-N 3.32Å; I117-T119 PolarHBondContact O-N 3.21Å; T119-R121 PolarHBondContact O-N 2.86Å; T119-S122 WeakPolarHBondContact O-CB 3.41Å; T119-S122 PolarHBondContact O-N 3.02Å; T119-S122 VanDerWaalsContact O-N 3.08Å; T119-S122 PolarHBondContact O-OG 3.18Å; T119-L123 HydrophobicContact CG2-CD1 4.13Å; T119-L123 PolarHBondContact O-N 3.22Å
120A98.5Very high97.9Very high0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-58.8-45.3172.200000112.1F56 I116 I117 S122 L123 L124 F129 F132F56-A120 HydrophobicContact CE2-CB 3.74Å; F56-A120 HydrophobicContact CZ-CB 3.64Å; I116-A120 WeakPolarHBondContact O-CB 3.33Å; I116-A120 PolarHBondContact O-N 3.46Å; I117-A120 PolarHBondContact O-N 3.2Å; A120-S122 PolarHBondContact O-N 3.11Å; A120-L123 PolarHBondContact O-N 3.38Å; A120-L124 WeakPolarHBondContact O-CB 3.33Å; A120-L124 WeakPolarHBondContact O-CG 3.39Å; A120-L124 PolarHBondContact O-N 3.2Å; A120-F129 HydrophobicContact CB-CE2 4.43Å; A120-F132 HydrophobicContact CB-CZ 4.26Å
121R98Very high97.7Very high118 Ų11864.2 Ų64.245%0.44533%0.329SS..Hα-helixtrans-62.3-23.4174.9-173.158178.8160.14.2113.4I117 K118 T119 D126 F129I117-R121 WeakPolarHBondContact O-CB 3.3Å; I117-R121 PolarHBondContact O-N 2.9Å; K118-R121 PolarHBondContact O-N 2.8Å; T119-R121 PolarHBondContact O-N 2.86Å; R121-D126 IonicContact CZ-OD1 2.68Å; R121-D126 IonicContact NH1-OD1 3.14Å; R121-D126 PolarHBondContact NH1-OD1 2.59Å; R121-D126 IonicContact NH2-OD1 2.76Å; R121-D126 PolarHBondContact NH2-OD1 2.71Å; R121-F129 HydrophobicContact CB-CD2 3.95Å; R121-F129 HydrophobicContact CB-CE2 3.58Å; R121-F129 HydrophobicContact CB-CZ 4.01Å; R121-F129 HydrophobicContact CG-CD2 4.47Å; R121-F129 HydrophobicContact CG-CE2 4.28Å; R121-F129 HydrophobicContact CG-CZ 4.36Å
122S98Very high97.7Very high64 Ų6461.1 Ų61.145%0.44832%0.316SS..THydrogen-bonded Turntrans-87.8-2.3175.379.90000114.8R63 K118 T119 A120R63-S122 PolarHBondContact NH1-O 3.07Å; R63-S122 PolarHBondContact NH1-OG 3.43Å; K118-S122 PolarHBondContact O-N 3.41Å; T119-S122 WeakPolarHBondContact O-CB 3.41Å; T119-S122 PolarHBondContact O-N 3.02Å; T119-S122 VanDerWaalsContact O-N 3.08Å; T119-S122 PolarHBondContact O-OG 3.18Å; A120-S122 PolarHBondContact O-N 3.11Å
123L97.7Very high97.6Very high48 Ų4855.7 Ų55.725%0.25130%0.304SS..THydrogen-bonded Turntrans-118.7-38-177.2-85163.7000112.6D59 V60 R63 T119 A120D59-L123 HydrophobicContact CB-CD1 3.83Å; D59-L123 HydrophobicContact CB-CD2 3.99Å; V60-L123 HydrophobicContact CB-CD1 4.27Å; V60-L123 HydrophobicContact CG2-CD1 3.5Å; V60-L123 VanDerWaalsContact CG2-CD1 3.5Å; R63-L123 VanDerWaalsContact CZ-CD2 3.4Å; T119-L123 HydrophobicContact CG2-CD1 4.13Å; T119-L123 PolarHBondContact O-N 3.22Å; A120-L123 PolarHBondContact O-N 3.38Å
124L97.9Very high97.6Very high17 Ų1763.6 Ų63.69%0.08935%0.345CS..SBendtrans-92.9143.4-175.7-62.1-177.2000111.8F56 Y93 A120 Q128 F129 F132F56-L124 HydrophobicContact CD2-CD1 4.2Å; F56-L124 HydrophobicContact CD2-CD2 3.75Å; F56-L124 HydrophobicContact CD2-CG 4.07Å; F56-L124 HydrophobicContact CE2-CD1 3.61Å; F56-L124 HydrophobicContact CE2-CD2 3.98Å; F56-L124 HydrophobicContact CE2-CG 3.76Å; F56-L124 HydrophobicContact CZ-CD1 4.22Å; Y93-L124 HydrophobicContact CD1-CD1 4.33Å; Y93-L124 HydrophobicContact CD1-CD2 4.02Å; Y93-L124 HydrophobicContact CD2-CD1 4.02Å; Y93-L124 HydrophobicContact CD2-CD2 4.24Å; Y93-L124 HydrophobicContact CE1-CD2 3.97Å; Y93-L124 HydrophobicContact CE2-CD2 4.26Å; Y93-L124 HydrophobicContact CG-CD1 3.79Å; Y93-L124 HydrophobicContact CG-CD2 4.16Å; A120-L124 WeakPolarHBondContact O-CB 3.33Å; A120-L124 WeakPolarHBondContact O-CG 3.39Å; A120-L124 PolarHBondContact O-N 3.2Å; L124-Q128 HydrophobicContact CB-CB 3.8Å; L124-Q128 HydrophobicContact CD1-CB 4.31Å; L124-Q128 HydrophobicContact CD2-CB 4.01Å; L124-Q128 HydrophobicContact CG-CB 4.25Å; L124-F129 HydrophobicContact CB-CB 4.18Å; L124-F132 HydrophobicContact CD1-CE2 3.91Å
125N97.2Very high97.5Very high90 Ų9060.7 Ų60.748%0.48134%0.337SS..  trans-71.9170.2167.171.946.4000111.6V127 Q128 F129N125-V127 VanDerWaalsContact C-N 3.31Å; N125-V127 PolarHBondContact O-N 2.76Å; N125-V127 PolarHBondContact OD1-N 3.38Å; N125-Q128 VanDerWaalsContact CG-OE1 3.24Å; N125-Q128 PolarHBondContact ND2-OE1 3.32Å; N125-Q128 VanDerWaalsContact ND2-OE1 3.09Å; N125-Q128 PolarHBondContact O-N 3.3Å; N125-Q128 VanDerWaalsContact O-N 3.15Å; N125-Q128 PolarHBondContact OD1-N 2.89Å; N125-F129 WeakPolarHBondContact O-CB 3.31Å; N125-F129 PolarHBondContact O-N 2.99Å
126D96.6Very high97.5Very high110 Ų11059.2 Ų59.259%0.58833%0.33SS*.Hα-helixtrans-58.2-37.1-176.4-68.1-64.5000114.4R121 F129 G130R121-D126 IonicContact CZ-OD1 2.68Å; R121-D126 IonicContact NH1-OD1 3.14Å; R121-D126 PolarHBondContact NH1-OD1 2.59Å; R121-D126 IonicContact NH2-OD1 2.76Å; R121-D126 PolarHBondContact NH2-OD1 2.71Å; D126-F129 PolarHBondContact O-N 3.09Å; D126-G130 PolarHBondContact O-N 3.33Å
127V97Very high97.4Very high128 Ų12862 Ų6278%0.77634%0.342SS*.Hα-helixtrans-71-37.4178.5-176.40000111.3N125N125-V127 VanDerWaalsContact C-N 3.31Å; N125-V127 PolarHBondContact O-N 2.76Å; N125-V127 PolarHBondContact OD1-N 3.38Å
128Q97.3Very high97.4Very high50 Ų5065.1 Ų65.123%0.23436%0.356CS..Hα-helixtrans-71-40.9174.6-69172.8-5900111.9Y93 L124 N125 Q131Y93-Q128 HydrophobicContact CD2-CB 4.11Å; Y93-Q128 HydrophobicContact CE2-CB 3.82Å; Y93-Q128 HydrophobicContact CE2-CG 3.81Å; Y93-Q128 PolarHBondContact OH-NE2 3.27Å; Y93-Q128 VanDerWaalsContact OH-NE2 3.07Å; L124-Q128 HydrophobicContact CB-CB 3.8Å; L124-Q128 HydrophobicContact CD1-CB 4.31Å; L124-Q128 HydrophobicContact CD2-CB 4.01Å; L124-Q128 HydrophobicContact CG-CB 4.25Å; N125-Q128 VanDerWaalsContact CG-OE1 3.24Å; N125-Q128 PolarHBondContact ND2-OE1 3.32Å; N125-Q128 VanDerWaalsContact ND2-OE1 3.09Å; N125-Q128 PolarHBondContact O-N 3.3Å; N125-Q128 VanDerWaalsContact O-N 3.15Å; N125-Q128 PolarHBondContact OD1-N 2.89Å; Q128-Q131 WeakPolarHBondContact O-CB 3.48Å; Q128-Q131 WeakPolarHBondContact O-CG 3.3Å; Q128-Q131 PolarHBondContact O-N 2.88Å
129F97.9Very high97.4Very high27 Ų2763.6 Ų63.612%0.11835%0.351CS..Hα-helixtrans-74.5-28.2179.7-169.2-92.5000112.5I117 A120 R121 L124 N125 D126 Q131 F132 P136I117-F129 HydrophobicContact CG2-CE2 4.4Å; I117-F129 HydrophobicContact CG2-CZ 4.08Å; A120-F129 HydrophobicContact CB-CE2 4.43Å; R121-F129 HydrophobicContact CB-CD2 3.95Å; R121-F129 HydrophobicContact CB-CE2 3.58Å; R121-F129 HydrophobicContact CB-CZ 4.01Å; R121-F129 HydrophobicContact CG-CD2 4.47Å; R121-F129 HydrophobicContact CG-CE2 4.28Å; R121-F129 HydrophobicContact CG-CZ 4.36Å; L124-F129 HydrophobicContact CB-CB 4.18Å; N125-F129 WeakPolarHBondContact O-CB 3.31Å; N125-F129 PolarHBondContact O-N 2.99Å; D126-F129 PolarHBondContact O-N 3.09Å; F129-Q131 PolarHBondContact O-N 3.12Å; F129-F132 HydrophobicContact CD2-CD2 4.05Å; F129-F132 HydrophobicContact CD2-CE2 4.37Å; F129-F132 HydrophobicContact CE2-CD2 4.16Å; F129-F132 HydrophobicContact CE2-CG 4.46Å; F129-F132 WeakPolarHBondContact O-CB 3.48Å; F129-F132 WeakPolarHBondContact O-CD2 3.19Å; F129-F132 PolarHBondContact O-N 2.95Å; F129-P136 HydrophobicContact CE1-CG 3.95Å; F129-P136 HydrophobicContact CZ-CB 4.19Å; F129-P136 HydrophobicContact CZ-CG 3.9Å
130G97.1Very high97.4Very high53 Ų5362.8 Ų62.855%0.54635%0.346SS..G310 helixtrans-57.7-16.217300000114.3D126 F132 G133D126-G130 PolarHBondContact O-N 3.33Å; G130-F132 PolarHBondContact O-N 3.29Å; G130-G133 PolarHBondContact O-N 2.96Å
131Q94.8Very high97.3Very high46 Ų4665.6 Ų65.622%0.21536%0.36CS..G310 helixtrans-59-22.3168.9-70-179.231.300113.8P91 Y93 V94 Q128 F129P91-Q131 HydrophobicContact CB-CB 3.71Å; P91-Q131 HydrophobicContact CB-CG 3.94Å; P91-Q131 HydrophobicContact CG-CB 4.49Å; Y93-Q131 VanDerWaalsContact CD2-OE1 3.27Å; V94-Q131 HydrophobicContact CG2-CB 4.27Å; V94-Q131 WeakPolarHBondContact CG2-O 3.45Å; Q128-Q131 WeakPolarHBondContact O-CB 3.48Å; Q128-Q131 WeakPolarHBondContact O-CG 3.3Å; Q128-Q131 PolarHBondContact O-N 2.88Å; F129-Q131 PolarHBondContact O-N 3.12Å
132F97.6Very high97.3Very high0 Ų063.2 Ų63.20%036%0.358CS..G310 helixtrans-86.5-1.5179.9-73.1-96.8000114.4F56 Y93 V94 A97 I117 A120 L124 F129 G130 P136 E139 V140F56-F132 HydrophobicContact CZ-CZ 4.2Å; Y93-F132 VanDerWaalsContact O-CZ 3.29Å; Y93-F132 WeakPolarHBondContact O-CZ 3.46Å; V94-F132 HydrophobicContact CB-CD1 4.4Å; V94-F132 HydrophobicContact CB-CE1 4.33Å; V94-F132 HydrophobicContact CG1-CD1 4.31Å; V94-F132 HydrophobicContact CG1-CE1 4.41Å; V94-F132 HydrophobicContact CG2-CB 4.38Å; V94-F132 HydrophobicContact CG2-CD1 3.86Å; V94-F132 HydrophobicContact CG2-CD2 4.14Å; V94-F132 HydrophobicContact CG2-CE1 4.14Å; V94-F132 HydrophobicContact CG2-CE2 4.41Å; V94-F132 HydrophobicContact CG2-CG 3.85Å; V94-F132 HydrophobicContact CG2-CZ 4.41Å; A97-F132 HydrophobicContact CB-CE1 3.77Å; A97-F132 HydrophobicContact CB-CZ 3.85Å; I117-F132 HydrophobicContact CD1-CD1 3.68Å; I117-F132 HydrophobicContact CD1-CE1 3.49Å; I117-F132 VanDerWaalsContact CD1-CE1 3.49Å; I117-F132 HydrophobicContact CD1-CZ 4.45Å; A120-F132 HydrophobicContact CB-CZ 4.26Å; L124-F132 HydrophobicContact CD1-CE2 3.91Å; F129-F132 HydrophobicContact CD2-CD2 4.05Å; F129-F132 HydrophobicContact CD2-CE2 4.37Å; F129-F132 HydrophobicContact CE2-CD2 4.16Å; F129-F132 HydrophobicContact CE2-CG 4.46Å; F129-F132 WeakPolarHBondContact O-CB 3.48Å; F129-F132 WeakPolarHBondContact O-CD2 3.19Å; F129-F132 PolarHBondContact O-N 2.95Å; G130-F132 PolarHBondContact O-N 3.29Å; F132-P136 HydrophobicContact CB-CB 3.67Å; F132-P136 HydrophobicContact CB-CG 3.75Å; F132-P136 HydrophobicContact CD1-CB 4.06Å; F132-P136 HydrophobicContact CG-CB 4.21Å; F132-P136 WeakPolarHBondContact O-CA 3.28Å; F132-E139 WeakPolarHBondContact O-CG 3.5Å; F132-V140 HydrophobicContact CD1-CG2 4.31Å; F132-V140 HydrophobicContact CE1-CG2 4Å
133G96.2Very high97.3Very high41 Ų4160.7 Ų60.742%0.42334%0.34SS..  trans62.3-159.1178.900000114.8G130G130-G133 PolarHBondContact O-N 2.96Å
134D96.5Very high97.3Very high178 Ų17859.3 Ų59.395%0.95233%0.332SS*.SBendtrans-82-29.9-173.9-63.9-54000114.1P136D134-P136 VanDerWaalsContact C-CD 3.47Å; D134-P136 WeakPolarHBondContact O-CD 3.29Å
135D97.4Very high97.3Very high81 Ų8167 Ų6743%0.43336%0.36SS..  trans-118.185164.6-169.2-17.6000111.6K137 E138 E139D135-K137 PolarHBondContact O-N 3.06Å; D135-K137 WeakPolarHBondContact OD1-CA 3.47Å; D135-K137 WeakPolarHBondContact OD1-CB 3.35Å; D135-K137 PolarHBondContact OD1-N 3.41Å; D135-E138 HydrophobicContact CB-CB 4.12Å; D135-E138 PolarHBondContact O-N 3.37Å; D135-E138 PolarHBondContact OD1-N 3.01Å; D135-E139 PolarHBondContact O-N 2.98Å; D135-E139 VanDerWaalsContact O-N 3.15Å
136P97.8Very high97.4Very high20 Ų2065.2 Ų65.213%0.1335%0.35CS..Hα-helixtrans-53.1-22.1173.1-31.637.3000115.9I117 F129 F132 D134I117-P136 HydrophobicContact CD1-CB 4.07Å; I117-P136 VanDerWaalsContact CD1-O 3.25Å; I117-P136 WeakPolarHBondContact CD1-O 3.48Å; I117-P136 HydrophobicContact CG1-CB 4.35Å; I117-P136 HydrophobicContact CG2-CB 3.71Å; F129-P136 HydrophobicContact CE1-CG 3.95Å; F129-P136 HydrophobicContact CZ-CB 4.19Å; F129-P136 HydrophobicContact CZ-CG 3.9Å; F132-P136 HydrophobicContact CB-CB 3.67Å; F132-P136 HydrophobicContact CB-CG 3.75Å; F132-P136 HydrophobicContact CD1-CB 4.06Å; F132-P136 HydrophobicContact CG-CB 4.21Å; F132-P136 WeakPolarHBondContact O-CA 3.28Å; D134-P136 VanDerWaalsContact C-CD 3.47Å; D134-P136 WeakPolarHBondContact O-CD 3.29Å
137K97.8Very high97.5Very high61 Ų6160 Ų6027%0.26532%0.322SS..Hα-helixtrans-78.2-47.3176.3-169.1-152.7101.2-64.60109.8K114 D135 V140 M141K114-K137 HydrophobicContact CG-CD 4.39Å; K114-K137 HydrophobicContact CG-CG 4.5Å; D135-K137 PolarHBondContact O-N 3.06Å; D135-K137 WeakPolarHBondContact OD1-CA 3.47Å; D135-K137 WeakPolarHBondContact OD1-CB 3.35Å; D135-K137 PolarHBondContact OD1-N 3.41Å; K137-V140 PolarHBondContact O-N 3.31Å; K137-M141 VanDerWaalsContact O-CG 3.3Å; K137-M141 WeakPolarHBondContact O-CG 3.49Å; K137-M141 PolarHBondContact O-N 2.9Å; K137-M141 VanDerWaalsContact O-N 3.12Å
138E97.8Very high97.6Very high86 Ų8655.4 Ų55.440%0.40229%0.293SS..Hα-helixtrans-69.6-39.2-175.3-159.958.8-158.900112.2D135 V140 M141 V142D135-E138 HydrophobicContact CB-CB 4.12Å; D135-E138 PolarHBondContact O-N 3.37Å; D135-E138 PolarHBondContact OD1-N 3.01Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 3.09Å; E138-M141 CarbonylContact O-C 3.59Å; E138-M141 PolarHBondContact O-N 2.84Å; E138-V142 HydrophobicContact CG-CG2 4.28Å; E138-V142 WeakPolarHBondContact O-CG2 3.2Å; E138-V142 PolarHBondContact O-N 2.87Å
139E97.6Very high97.6Very high100 Ų10059.5 Ų59.547%0.46731%0.312SS..Hα-helixtrans-51.7-47.3171.5-74.3-58139.600112.3V94 F132 D135 M141 V142 L143V94-E139 HydrophobicContact CG1-CB 4.12Å; F132-E139 WeakPolarHBondContact O-CG 3.5Å; D135-E139 PolarHBondContact O-N 2.98Å; D135-E139 VanDerWaalsContact O-N 3.15Å; E139-M141 PolarHBondContact O-N 3.25Å; E139-V142 PolarHBondContact O-N 3.31Å; E139-L143 WeakPolarHBondContact O-CB 3.41Å; E139-L143 PolarHBondContact O-N 3.21Å
140V98.4Very high97.6Very high1 Ų159 Ų591%0.00631%0.311CS..Hα-helixtrans-67.4-34.8177.2167.90000112.7V94 A97 C98 F101 I117 F132 K137 E138 E144V94-V140 HydrophobicContact CG1-CG2 3.98Å; A97-V140 HydrophobicContact CB-CG2 4.14Å; C98-V140 HydrophobicContact CB-CG1 4.18Å; F101-V140 HydrophobicContact CD1-CG1 4.5Å; I117-V140 HydrophobicContact CD1-CG2 3.98Å; F132-V140 HydrophobicContact CD1-CG2 4.31Å; F132-V140 HydrophobicContact CE1-CG2 4Å; K137-V140 PolarHBondContact O-N 3.31Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 3.09Å; V140-E144 PolarHBondContact O-N 3.03Å; V140-E144 VanDerWaalsContact O-N 3.13Å
141M97.6Very high97.7Very high58 Ų5856.4 Ų56.429%0.28629%0.285SS..Hα-helixtrans-74.9-31.1178.2-67.4-55.8-47.900113.2F101 C113 K137 E138 E139F101-M141 HydrophobicContact CE1-CE 4.25Å; F101-M141 HydrophobicContact CE1-SD 3.82Å; F101-M141 HydrophobicContact CZ-SD 4.19Å; C113-M141 HydrophobicContact CB-SD 4.47Å; K137-M141 VanDerWaalsContact O-CG 3.3Å; K137-M141 WeakPolarHBondContact O-CG 3.49Å; K137-M141 PolarHBondContact O-N 2.9Å; K137-M141 VanDerWaalsContact O-N 3.12Å; E138-M141 CarbonylContact O-C 3.59Å; E138-M141 PolarHBondContact O-N 2.84Å; E139-M141 PolarHBondContact O-N 3.25Å
142V97.5Very high97.8Very high69 Ų6959.1 Ų59.142%0.41830%0.296SS..Hα-helixtrans-73-48.6172.8171.10000109.7E138 E139 E144 R145E138-V142 HydrophobicContact CG-CG2 4.28Å; E138-V142 WeakPolarHBondContact O-CG2 3.2Å; E138-V142 PolarHBondContact O-N 2.87Å; E139-V142 PolarHBondContact O-N 3.31Å; V142-E144 PolarHBondContact O-N 3.49Å; V142-R145 WeakPolarHBondContact O-CB 3.31Å; V142-R145 PolarHBondContact O-N 2.88Å; V142-R145 VanDerWaalsContact O-N 3.09Å
143L98.3Very high97.7Very high10 Ų1065.4 Ų65.45%0.05232%0.323CS..Hα-helixtrans-61.1-29.4-179.7-172.457.4000112.8F81 F90 V94 C98 E139 R145 I146 L147F81-L143 HydrophobicContact CE2-CD1 4.24Å; F81-L143 HydrophobicContact CZ-CD1 3.93Å; F90-L143 HydrophobicContact CD1-CD1 3.54Å; F90-L143 HydrophobicContact CE1-CD1 3.7Å; V94-L143 HydrophobicContact CB-CD2 4.29Å; V94-L143 HydrophobicContact CG1-CD2 3.82Å; C98-L143 HydrophobicContact CB-CB 4.44Å; C98-L143 HydrophobicContact CB-CD2 4.02Å; C98-L143 HydrophobicContact CB-CG 4.19Å; C98-L143 VanDerWaalsContact SG-C 3.59Å; E139-L143 WeakPolarHBondContact O-CB 3.41Å; E139-L143 PolarHBondContact O-N 3.21Å; L143-R145 PolarHBondContact O-N 3.32Å; L143-I146 HydrophobicContact CD1-CB 4.31Å; L143-I146 HydrophobicContact CD1-CD1 4.3Å; L143-I146 PolarHBondContact O-N 2.84Å; L143-I146 VanDerWaalsContact O-N 3.15Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 PolarHBondContact O-N 3.27Å
144E98.2Very high97.8Very high19 Ų1964.8 Ų64.89%0.08931%0.31CS..Hα-helixtrans-57.2-36.6175.1172.1158.9-95.200112.6C98 F101 K105 V140 V142 L147 L148C98-E144 WeakPolarHBondContact SG-CA 3.28Å; C98-E144 PolarHBondContact SG-N 2.96Å; F101-E144 VanDerWaalsContact CD1-OE1 3.3Å; F101-E144 WeakPolarHBondContact CD1-OE1 3.23Å; F101-E144 WeakPolarHBondContact CE1-OE1 3.42Å; K105-E144 VanDerWaalsContact CE-OE1 3.3Å; K105-E144 WeakPolarHBondContact CE-OE1 3.46Å; K105-E144 IonicContact NZ-OE1 2.86Å; K105-E144 PolarHBondContact NZ-OE1 3.47Å; K105-E144 IonicContact NZ-OE2 2.76Å; K105-E144 PolarHBondContact NZ-OE2 3.1Å; V140-E144 PolarHBondContact O-N 3.03Å; V140-E144 VanDerWaalsContact O-N 3.13Å; V142-E144 PolarHBondContact O-N 3.49Å; E144-L147 PolarHBondContact O-N 3.42Å; E144-L148 HydrophobicContact CG-CD1 3.94Å; E144-L148 HydrophobicContact CG-CG 4.42Å; E144-L148 WeakPolarHBondContact O-CB 3.38Å; E144-L148 VanDerWaalsContact O-CG 3.28Å; E144-L148 WeakPolarHBondContact O-CG 3.4Å; E144-L148 PolarHBondContact O-N 3.24Å
145R97.8Very high97.8Very high179 Ų17958.6 Ų58.668%0.67528%0.277SS*.Hα-helixtrans-67.6-41.8178.6-55.1-175.9-173.3-165.13.4111.3V142 L143 Q149V142-R145 WeakPolarHBondContact O-CB 3.31Å; V142-R145 PolarHBondContact O-N 2.88Å; V142-R145 VanDerWaalsContact O-N 3.09Å; L143-R145 PolarHBondContact O-N 3.32Å; R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 2.89Å
146I98.4Very high97.7Very high52 Ų5261.6 Ų61.627%0.26729%0.288SS..Hα-helixtrans-67-43.9177.4-53.4175.3000109.5F81 F90 L143 Q149 T150F81-I146 HydrophobicContact CE2-CG2 4.13Å; F81-I146 HydrophobicContact CZ-CG2 4.48Å; F90-I146 HydrophobicContact CE1-CD1 3.9Å; F90-I146 HydrophobicContact CE1-CG2 4.38Å; F90-I146 HydrophobicContact CZ-CD1 4.29Å; F90-I146 HydrophobicContact CZ-CG2 4.33Å; L143-I146 HydrophobicContact CD1-CB 4.31Å; L143-I146 HydrophobicContact CD1-CD1 4.3Å; L143-I146 PolarHBondContact O-N 2.84Å; L143-I146 VanDerWaalsContact O-N 3.15Å; I146-Q149 PolarHBondContact O-N 3.43Å; I146-T150 VanDerWaalsContact O-CB 3.28Å; I146-T150 WeakPolarHBondContact O-CB 3.48Å; I146-T150 PolarHBondContact O-N 3.42Å; I146-T150 PolarHBondContact O-OG1 3.25Å
147L98.7Very high97.6Very high1 Ų161.6 Ų61.61%0.00529%0.288CS..Hα-helixtrans-57.9-52.1177176.361.7000111.4F81 C99 L102 L143 E144 Q149 T150 I151F81-L147 HydrophobicContact CB-CD1 4.22Å; F81-L147 HydrophobicContact CD2-CB 4.47Å; F81-L147 HydrophobicContact CD2-CD1 3.73Å; F81-L147 HydrophobicContact CG-CD1 4.36Å; C99-L147 HydrophobicContact CB-CD2 4.29Å; L102-L147 HydrophobicContact CB-CD2 4.14Å; L102-L147 HydrophobicContact CD2-CD2 3.67Å; L102-L147 HydrophobicContact CD2-CG 3.99Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 PolarHBondContact O-N 3.27Å; E144-L147 PolarHBondContact O-N 3.42Å; L147-Q149 VanDerWaalsContact C-N 3.35Å; L147-Q149 PolarHBondContact O-N 2.64Å; L147-T150 WeakPolarHBondContact O-CB 3.33Å; L147-T150 PolarHBondContact O-N 3.02Å; L147-T150 VanDerWaalsContact O-N 3.09Å; L147-I151 HydrophobicContact CD1-CG2 4Å; L147-I151 HydrophobicContact CG-CD1 4.38Å; L147-I151 WeakPolarHBondContact O-CG1 3.49Å; L147-I151 PolarHBondContact O-N 3.49Å
148L98.5Very high97.6Very high32 Ų3264 Ų6417%0.16830%0.3CS..Hα-helixtrans-56.5-45.2179.3-77.4167.3000112.8L102 E144 K152 F153 L155L102-L148 HydrophobicContact CD1-CD2 3.91Å; L102-L148 HydrophobicContact CD2-CD2 3.8Å; L102-L148 HydrophobicContact CD2-CG 4.21Å; E144-L148 HydrophobicContact CG-CD1 3.94Å; E144-L148 HydrophobicContact CG-CG 4.42Å; E144-L148 WeakPolarHBondContact O-CB 3.38Å; E144-L148 VanDerWaalsContact O-CG 3.28Å; E144-L148 WeakPolarHBondContact O-CG 3.4Å; E144-L148 PolarHBondContact O-N 3.24Å; L148-K152 PolarHBondContact O-N 2.81Å; L148-F153 HydrophobicContact CB-CD1 4.29Å; L148-F153 HydrophobicContact CB-CE1 3.81Å; L148-F153 HydrophobicContact CB-CZ 3.99Å; L148-F153 HydrophobicContact CD1-CE1 4.35Å; L148-F153 HydrophobicContact CD2-CD1 4.11Å; L148-F153 HydrophobicContact CD2-CE1 4.18Å; L148-F153 HydrophobicContact CG-CE1 4.35Å; L148-F153 PolarHBondContact O-N 3.16Å; L148-L155 HydrophobicContact CD2-CD1 4.45Å; L148-L155 HydrophobicContact CD2-CD2 4.07Å
149Q98Very high97.6Very high136 Ų13660.2 Ų60.264%0.63628%0.282SS*.Hα-helixtrans-65-40.9175-71.5177.1-19.300111.9R145 I146 L147 K152 F153R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 2.89Å; I146-Q149 PolarHBondContact O-N 3.43Å; L147-Q149 VanDerWaalsContact C-N 3.35Å; L147-Q149 PolarHBondContact O-N 2.64Å; Q149-K152 WeakPolarHBondContact O-CA 3.48Å; Q149-K152 PolarHBondContact O-N 3.09Å; Q149-K152 VanDerWaalsContact O-N 3.08Å; Q149-F153 HydrophobicContact CG-CE2 4.39Å
150T98.3Very high97.6Very high15 Ų1555.7 Ų55.79%0.09226%0.262CS..Hα-helixtrans-66.5-43.8-178.1-58.20000112.3F81 F84 H85 I146 L147 K152F81-T150 HydrophobicContact CD2-CG2 4.02Å; F84-T150 HydrophobicContact CB-CG2 3.72Å; F84-T150 HydrophobicContact CD2-CG2 3.87Å; F84-T150 HydrophobicContact CG-CG2 3.98Å; H85-T150 PolarHBondContact NE2-OG1 2.84Å; I146-T150 VanDerWaalsContact O-CB 3.28Å; I146-T150 WeakPolarHBondContact O-CB 3.48Å; I146-T150 PolarHBondContact O-N 3.42Å; I146-T150 PolarHBondContact O-OG1 3.25Å; L147-T150 WeakPolarHBondContact O-CB 3.33Å; L147-T150 PolarHBondContact O-N 3.02Å; L147-T150 VanDerWaalsContact O-N 3.09Å; T150-K152 PolarHBondContact O-N 2.95Å
151I97.9Very high97.6Very high0 Ų055.7 Ų55.70%026%0.261CS..THydrogen-bonded Turntrans-8010.7173.871.7-169.9000112.5W24 Y77 R80 L102 L147 F153 D154 L155W24-I151 HydrophobicContact CH2-CB 4.49Å; W24-I151 VanDerWaalsContact CZ2-O 3.3Å; W24-I151 WeakPolarHBondContact CZ2-O 3.43Å; Y77-I151 HydrophobicContact CD1-CD1 3.75Å; Y77-I151 HydrophobicContact CD1-CG2 4.4Å; Y77-I151 HydrophobicContact CE1-CD1 3.78Å; Y77-I151 HydrophobicContact CG-CD1 4.18Å; R80-I151 HydrophobicContact CB-CG2 4.41Å; L102-I151 HydrophobicContact CD2-CD1 3.76Å; L147-I151 HydrophobicContact CD1-CG2 4Å; L147-I151 HydrophobicContact CG-CD1 4.38Å; L147-I151 WeakPolarHBondContact O-CG1 3.49Å; L147-I151 PolarHBondContact O-N 3.49Å; I151-F153 PolarHBondContact O-N 3.45Å; I151-F153 VanDerWaalsContact O-N 3.08Å; I151-D154 PolarHBondContact O-N 2.8Å; I151-L155 HydrophobicContact CD1-CD2 3.55Å; I151-L155 HydrophobicContact CG1-CD2 4.26Å
152K97.2Very high97.6Very high103 Ų10357.1 Ų57.145%0.44827%0.268SS..THydrogen-bonded Turntrans55.327.3174.6-54.4165-171.6163.20113.6P22 W24 L148 Q149 T150 D154P22-K152 HydrophobicContact CB-CD 3.61Å; P22-K152 HydrophobicContact CG-CB 4.46Å; P22-K152 HydrophobicContact CG-CD 3.84Å; W24-K152 HydrophobicContact CH2-CB 4.42Å; W24-K152 HydrophobicContact CH2-CD 3.76Å; W24-K152 HydrophobicContact CH2-CG 4.03Å; W24-K152 HydrophobicContact CZ2-CB 4.29Å; W24-K152 HydrophobicContact CZ2-CD 3.94Å; W24-K152 HydrophobicContact CZ2-CG 4.32Å; L148-K152 PolarHBondContact O-N 2.81Å; Q149-K152 WeakPolarHBondContact O-CA 3.48Å; Q149-K152 PolarHBondContact O-N 3.09Å; Q149-K152 VanDerWaalsContact O-N 3.08Å; T150-K152 PolarHBondContact O-N 2.95Å; K152-D154 PolarHBondContact O-N 3.17Å
153F96.8Very high97.7Very high132 Ų13254.1 Ų54.158%0.57925%0.249SC*.THydrogen-bonded Turntrans55.519.1-169.7-59.9-97.2000115.3L148 Q149 I151 L155L148-F153 HydrophobicContact CB-CD1 4.29Å; L148-F153 HydrophobicContact CB-CE1 3.81Å; L148-F153 HydrophobicContact CB-CZ 3.99Å; L148-F153 HydrophobicContact CD1-CE1 4.35Å; L148-F153 HydrophobicContact CD2-CD1 4.11Å; L148-F153 HydrophobicContact CD2-CE1 4.18Å; L148-F153 HydrophobicContact CG-CE1 4.35Å; L148-F153 PolarHBondContact O-N 3.16Å; Q149-F153 HydrophobicContact CG-CE2 4.39Å; I151-F153 PolarHBondContact O-N 3.45Å; I151-F153 VanDerWaalsContact O-N 3.08Å; F153-L155 PolarHBondContact O-N 3.33Å
154D96.9Very high97.7Very high28 Ų2853.7 Ų53.715%0.1525%0.247CC..  trans-81.783.7172-175.346.9000110.1P22 W24 R80 I151 K152P22-D154 HydrophobicContact CG-CB 4.3Å; W24-D154 HydrophobicContact CZ2-CB 4.12Å; W24-D154 PolarHBondContact NE1-OD2 2.95Å; R80-D154 IonicContact NH1-OD2 2.67Å; R80-D154 PolarHBondContact NH1-OD2 2.91Å; I151-D154 PolarHBondContact O-N 2.8Å; K152-D154 PolarHBondContact O-N 3.17Å
155L97.1Very high97.6Very high47 Ų4755.7 Ų55.725%0.24626%0.258CS..  trans-91.3-2.5-172.6-57.7-179.9000114.1Y77 L102 V106 L148 I151 F153Y77-L155 HydrophobicContact CE1-CD2 4.45Å; Y77-L155 VanDerWaalsContact OH-CA 3.3Å; Y77-L155 WeakPolarHBondContact OH-CA 3.39Å; Y77-L155 PolarHBondContact OH-O 2.98Å; L102-L155 HydrophobicContact CD2-CD2 4.14Å; V106-L155 HydrophobicContact CG1-CB 4.21Å; V106-L155 VanDerWaalsContact CG1-O 3.24Å; V106-L155 WeakPolarHBondContact CG1-O 3.41Å; V106-L155 HydrophobicContact CG2-CB 4.08Å; V106-L155 HydrophobicContact CG2-CD1 4Å; V106-L155 HydrophobicContact CG2-CD2 4.36Å; V106-L155 HydrophobicContact CG2-CG 4.37Å; L148-L155 HydrophobicContact CD2-CD1 4.45Å; L148-L155 HydrophobicContact CD2-CD2 4.07Å; I151-L155 HydrophobicContact CD1-CD2 3.55Å; I151-L155 HydrophobicContact CG1-CD2 4.26Å; F153-L155 PolarHBondContact O-N 3.33Å
156Q95.4Very high97.6Very high145 Ų14552.9 Ų52.968%0.67825%0.25SS*.  trans-96.8118.1179.5-70.3-71.1-79.300109.2
157V95.3Very high97.6Very high19 Ų1950.8 Ų50.812%0.11524%0.239CC..  trans-133.3127.8-172.7-161.80000109.3T73 I76 Y77T73-V157 HydrophobicContact CG2-CG2 4.25Å; I76-V157 HydrophobicContact CB-CG1 4.1Å; I76-V157 HydrophobicContact CD1-CG1 3.66Å; I76-V157 HydrophobicContact CG1-CG1 4.47Å; I76-V157 HydrophobicContact CG2-CG1 3.77Å; Y77-V157 HydrophobicContact CD1-CG2 4.45Å; Y77-V157 HydrophobicContact CE1-CG2 3.73Å
158E97.3Very high97.5Very high113 Ų11351.1 Ų51.153%0.52824%0.242SC..  trans-102.8143.3177.8-67.9-169.291.100111.2Q162 F163 P203E158-Q162 PolarHBondContact OE1-NE2 3.41Å; E158-F163 HydrophobicContact CB-CE2 4.21Å; E158-P203 HydrophobicContact CB-CG 4.17Å; E158-P203 WeakPolarHBondContact O-CG 3.47Å
159H98Very high97.3Very high6 Ų658 Ų583%0.02827%0.27CS..  trans-116.5152.6-172-56.9-55.6000112.9D69 A72 T73 Y161 Q162 F163D69-H159 PolarHBondContact O-NE2 2.92Å; D69-H159 IonicContact OD1-CD2 2.61Å; A72-H159 VanDerWaalsContact C-CE1 3.47Å; A72-H159 HydrophobicContact CB-CB 4.49Å; A72-H159 WeakPolarHBondContact CB-ND1 3.42Å; T73-H159 PolarHBondContact N-CE1 2.74Å; T73-H159 VanDerWaalsContact N-CE1 3.25Å; T73-H159 PolarHBondContact N-NE2 3.15Å; T73-H159 PolarHBondContact OG1-CE1 3.38Å; T73-H159 VanDerWaalsContact OG1-CE1 3.3Å; T73-H159 PolarHBondContact OG1-NE2 3.42Å; H159-Y161 HydrophobicContact CB-CD2 3.69Å; H159-Y161 HydrophobicContact CB-CE2 4.23Å; H159-Y161 PolarHBondContact O-N 3.33Å; H159-Q162 WeakPolarHBondContact O-CG 3.14Å; H159-Q162 PolarHBondContact O-N 3.47Å; H159-F163 WeakPolarHBondContact O-CD2 3.4Å
160P98.5Very high97.2Very high5 Ų555.7 Ų55.73%0.03226%0.26CS..Hα-helixtrans-59.1-23.5-179.4-23.733.6000114.6Q162 F163 L164 V189 P203 I206 A207P160-Q162 PolarHBondContact O-N 3.16Å; P160-F163 PolarHBondContact O-N 3.4Å; P160-L164 WeakPolarHBondContact O-CB 3.46Å; P160-L164 PolarHBondContact O-N 3.23Å; P160-V189 HydrophobicContact CB-CG1 3.82Å; P160-V189 HydrophobicContact CB-CG2 3.94Å; P160-V189 HydrophobicContact CG-CG1 3.95Å; P160-P203 HydrophobicContact CG-CB 4.05Å; P160-I206 HydrophobicContact CB-CB 4.29Å; P160-I206 HydrophobicContact CB-CG2 4.06Å; P160-I206 HydrophobicContact CG-CB 3.85Å; P160-I206 HydrophobicContact CG-CD1 4.42Å; P160-I206 HydrophobicContact CG-CG2 3.64Å; P160-A207 HydrophobicContact CB-CB 4.13Å; P160-A207 WeakPolarHBondContact O-CB 3.32Å
161Y98.3Very high97Very high0 Ų055.7 Ų55.70%026%0.259CS..Hα-helixtrans-56.2-46-177.5-54.5-72.1000113.4Y68 A72 H159 F163 L165 W186 V189 N190 L193Y68-Y161 HydrophobicContact CD2-CD1 4.19Å; Y68-Y161 AromaticContact CD2-CD2 3.5Å; Y68-Y161 HydrophobicContact CD2-CD2 3.5Å; Y68-Y161 HydrophobicContact CD2-CE1 4.35Å; Y68-Y161 AromaticContact CD2-CE2 3.71Å; Y68-Y161 HydrophobicContact CD2-CE2 3.71Å; Y68-Y161 AromaticContact CD2-CG 3.77Å; Y68-Y161 HydrophobicContact CD2-CG 3.77Å; Y68-Y161 HydrophobicContact CE2-CD1 4.38Å; Y68-Y161 AromaticContact CE2-CD2 3.74Å; Y68-Y161 HydrophobicContact CE2-CD2 3.74Å; Y68-Y161 HydrophobicContact CE2-CE2 4.4Å; Y68-Y161 AromaticContact CE2-CG 3.73Å; Y68-Y161 HydrophobicContact CE2-CG 3.73Å; A72-Y161 HydrophobicContact CB-CE2 4Å; H159-Y161 HydrophobicContact CB-CD2 3.69Å; H159-Y161 HydrophobicContact CB-CE2 4.23Å; H159-Y161 PolarHBondContact O-N 3.33Å; Y161-F163 VanDerWaalsContact C-N 3.33Å; Y161-F163 PolarHBondContact O-N 3.2Å; Y161-L165 WeakPolarHBondContact O-CG 3.29Å; Y161-L165 PolarHBondContact O-N 3.16Å; Y161-L165 VanDerWaalsContact O-N 3.11Å; Y161-W186 AromaticContact CD1-CD2 3.81Å; Y161-W186 HydrophobicContact CD1-CD2 3.81Å; Y161-W186 AromaticContact CD1-CE2 3.52Å; Y161-W186 HydrophobicContact CD1-CE3 4.05Å; Y161-W186 HydrophobicContact CD1-CG 4.45Å; Y161-W186 AromaticContact CD1-CH2 3.81Å; Y161-W186 HydrophobicContact CD1-CH2 3.81Å; Y161-W186 AromaticContact CD1-CZ2 3.54Å; Y161-W186 HydrophobicContact CD1-CZ2 3.54Å; Y161-W186 HydrophobicContact CD1-CZ3 4.04Å; Y161-W186 AromaticContact CD1-NE1 3.98Å; Y161-W186 HydrophobicContact CE1-CD2 4.24Å; Y161-W186 AromaticContact CE1-CE2 3.74Å; Y161-W186 HydrophobicContact CE1-CZ2 4.01Å; Y161-W186 AromaticContact CE1-NE1 3.7Å; Y161-W186 HydrophobicContact CG-CH2 4.12Å; Y161-W186 HydrophobicContact CG-CZ2 4.15Å; Y161-W186 HydrophobicContact CG-CZ3 4.47Å; Y161-V189 HydrophobicContact CD1-CB 4.06Å; Y161-V189 HydrophobicContact CD1-CG1 3.79Å; Y161-V189 HydrophobicContact CD1-CG2 4.42Å; Y161-V189 HydrophobicContact CD2-CG1 4.33Å; Y161-V189 HydrophobicContact CE1-CB 3.65Å; Y161-V189 HydrophobicContact CE1-CG1 3.38Å; Y161-V189 HydrophobicContact CE1-CG2 4.48Å; Y161-V189 HydrophobicContact CE2-CG1 3.96Å; Y161-V189 HydrophobicContact CG-CG1 4.24Å; Y161-V189 VanDerWaalsContact CZ-CG1 3.48Å; Y161-N190 WeakPolarHBondContact CE1-OD1 3.39Å; Y161-N190 PolarHBondContact OH-OD1 3.41Å; Y161-L193 HydrophobicContact CE2-CD1 4.46Å; Y161-L193 VanDerWaalsContact OH-CD1 3.29Å; Y161-L193 WeakPolarHBondContact OH-CD1 3.43Å
162Q97.5Very high96.8Very high89 Ų8963.2 Ų63.242%0.41629%0.292SS..Hα-helixtrans-67.3-36.3-179.255.6160.6-600112E158 H159 P160 L165 K166E158-Q162 PolarHBondContact OE1-NE2 3.41Å; H159-Q162 WeakPolarHBondContact O-CG 3.14Å; H159-Q162 PolarHBondContact O-N 3.47Å; P160-Q162 PolarHBondContact O-N 3.16Å; Q162-L165 PolarHBondContact O-N 3.01Å; Q162-K166 WeakPolarHBondContact O-CB 3.33Å; Q162-K166 PolarHBondContact O-N 3.26Å
163F98.5Very high96.4Very high6 Ų659.7 Ų59.73%0.02629%0.285CS..Hα-helixtrans-71.9-43.4178.6-59.8-70.5000111.4E158 H159 P160 Y161 L165 K166 Y167 P203 E204 A207E158-F163 HydrophobicContact CB-CE2 4.21Å; H159-F163 WeakPolarHBondContact O-CD2 3.4Å; P160-F163 PolarHBondContact O-N 3.4Å; Y161-F163 VanDerWaalsContact C-N 3.33Å; Y161-F163 PolarHBondContact O-N 3.2Å; F163-L165 VanDerWaalsContact C-N 3.32Å; F163-L165 PolarHBondContact O-N 3.35Å; F163-K166 HydrophobicContact CD1-CD 4.32Å; F163-K166 WeakPolarHBondContact O-CB 3.25Å; F163-K166 PolarHBondContact O-N 3.42Å; F163-K166 VanDerWaalsContact O-N 3.08Å; F163-Y167 HydrophobicContact CB-CD2 4.28Å; F163-Y167 HydrophobicContact CB-CE2 3.74Å; F163-Y167 WeakPolarHBondContact O-CB 3.37Å; F163-Y167 WeakPolarHBondContact O-CD2 3.26Å; F163-Y167 PolarHBondContact O-N 3.04Å; F163-P203 HydrophobicContact CD2-CB 3.9Å; F163-P203 HydrophobicContact CD2-CG 4.21Å; F163-P203 HydrophobicContact CE2-CB 3.8Å; F163-P203 HydrophobicContact CE2-CG 3.62Å; F163-P203 HydrophobicContact CZ-CG 4.46Å; F163-E204 HydrophobicContact CD1-CG 3.63Å; F163-E204 HydrophobicContact CD2-CG 4.36Å; F163-E204 HydrophobicContact CE1-CG 3.64Å; F163-E204 WeakPolarHBondContact CE1-OE1 3.47Å; F163-E204 HydrophobicContact CE2-CG 4.39Å; F163-E204 HydrophobicContact CG-CG 4Å; F163-E204 VanDerWaalsContact CZ-CD 3.49Å; F163-E204 HydrophobicContact CZ-CG 4.04Å; F163-E204 WeakPolarHBondContact CZ-OE1 3.43Å; F163-A207 HydrophobicContact CB-CB 3.6Å
164L98.5Very high96.3Very high0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-51.8-49.2171169.659.8000111.3P160 A168 V182 A185 W186 V189 A207 M211P160-L164 WeakPolarHBondContact O-CB 3.46Å; P160-L164 PolarHBondContact O-N 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.31Å; L164-A168 PolarHBondContact O-N 3.01Å; L164-V182 HydrophobicContact CG-CG1 4.48Å; L164-A185 HydrophobicContact CD1-CB 3.62Å; L164-A185 HydrophobicContact CD2-CB 3.98Å; L164-A185 HydrophobicContact CG-CB 4.49Å; L164-W186 HydrophobicContact CD2-CB 4.14Å; L164-W186 HydrophobicContact CD2-CE3 4.13Å; L164-V189 HydrophobicContact CD2-CG2 4.3Å; L164-A207 HydrophobicContact CB-CB 4.37Å; L164-M211 HydrophobicContact CD1-CG 3.43Å; L164-M211 VanDerWaalsContact CD1-CG 3.43Å; L164-M211 HydrophobicContact CD1-SD 3.82Å
165L97.7Very high96.3Very high62 Ų6263.9 Ų63.933%0.32530%0.304SS..Hα-helixtrans-68.3-35.8177.3-66.3179.6000113.1Y161 Q162 F163 K169 V182 W186Y161-L165 WeakPolarHBondContact O-CG 3.29Å; Y161-L165 PolarHBondContact O-N 3.16Å; Y161-L165 VanDerWaalsContact O-N 3.11Å; Q162-L165 PolarHBondContact O-N 3.01Å; F163-L165 VanDerWaalsContact C-N 3.32Å; F163-L165 PolarHBondContact O-N 3.35Å; L165-K169 WeakPolarHBondContact O-CB 3.49Å; L165-K169 VanDerWaalsContact O-CD 3.32Å; L165-K169 WeakPolarHBondContact O-CD 3.46Å; L165-K169 WeakPolarHBondContact O-CG 3.39Å; L165-K169 PolarHBondContact O-N 3.25Å; L165-V182 HydrophobicContact CD2-CG1 4.14Å; L165-W186 HydrophobicContact CD1-CZ3 3.97Å; L165-W186 HydrophobicContact CD2-CZ3 4.21Å; L165-W186 HydrophobicContact CG-CZ3 4.06Å
166K97.6Very high96.2Very high119 Ų11967.2 Ų67.252%0.51732%0.323SS..Hα-helixtrans-68.4-38.4178178.1-176.8177.9-176.40112.4Q162 F163 Q170Q162-K166 WeakPolarHBondContact O-CB 3.33Å; Q162-K166 PolarHBondContact O-N 3.26Å; F163-K166 HydrophobicContact CD1-CD 4.32Å; F163-K166 WeakPolarHBondContact O-CB 3.25Å; F163-K166 PolarHBondContact O-N 3.42Å; F163-K166 VanDerWaalsContact O-N 3.08Å; K166-Q170 PolarHBondContact O-NE2 2.89Å
167Y97.4Very high96.3Very high9 Ų964.4 Ų64.44%0.03531%0.308CS..Hα-helixtrans-80.3-45.6179.9-57.8-30.9000111.6F163 K169 Q170 E204 A207 V208 M211 F238F163-Y167 HydrophobicContact CB-CD2 4.28Å; F163-Y167 HydrophobicContact CB-CE2 3.74Å; F163-Y167 WeakPolarHBondContact O-CB 3.37Å; F163-Y167 WeakPolarHBondContact O-CD2 3.26Å; F163-Y167 PolarHBondContact O-N 3.04Å; Y167-K169 VanDerWaalsContact C-N 3.26Å; Y167-K169 PolarHBondContact O-N 2.93Å; Y167-Q170 WeakPolarHBondContact O-CB 3.32Å; Y167-Q170 PolarHBondContact O-N 3.31Å; Y167-E204 WeakPolarHBondContact OH-CB 3.4Å; Y167-E204 WeakPolarHBondContact OH-CG 3.17Å; Y167-A207 HydrophobicContact CD2-CB 4.33Å; Y167-A207 HydrophobicContact CE2-CB 4.17Å; Y167-V208 HydrophobicContact CD2-CG2 4.11Å; Y167-V208 HydrophobicContact CE2-CG2 3.91Å; Y167-M211 HydrophobicContact CD2-SD 4.45Å; Y167-F238 HydrophobicContact CD1-CB 3.74Å; Y167-F238 AromaticContact CD1-CD1 3.32Å; Y167-F238 HydrophobicContact CD1-CD1 3.32Å; Y167-F238 HydrophobicContact CD1-CD2 4.25Å; Y167-F238 AromaticContact CD1-CE1 3.94Å; Y167-F238 HydrophobicContact CD1-CE1 3.94Å; Y167-F238 AromaticContact CD1-CG 3.51Å; Y167-F238 HydrophobicContact CD1-CG 3.51Å; Y167-F238 HydrophobicContact CD2-CB 4.31Å; Y167-F238 HydrophobicContact CD2-CD2 4.47Å; Y167-F238 HydrophobicContact CD2-CG 4.32Å; Y167-F238 HydrophobicContact CE1-CB 3.62Å; Y167-F238 AromaticContact CE1-CD1 3.92Å; Y167-F238 HydrophobicContact CE1-CD1 3.92Å; Y167-F238 AromaticContact CE1-CG 3.94Å; Y167-F238 HydrophobicContact CE1-CG 3.94Å; Y167-F238 HydrophobicContact CE2-CB 4.21Å; Y167-F238 HydrophobicContact CG-CB 4.09Å; Y167-F238 AromaticContact CG-CD1 3.87Å; Y167-F238 HydrophobicContact CG-CD1 3.87Å; Y167-F238 HydrophobicContact CG-CD2 4Å; Y167-F238 HydrophobicContact CG-CE1 4.28Å; Y167-F238 HydrophobicContact CG-CE2 4.4Å; Y167-F238 AromaticContact CG-CG 3.73Å; Y167-F238 HydrophobicContact CG-CG 3.73Å
168A96.2Very high96.4Very high7 Ų764.6 Ų64.66%0.05831%0.308CS..Hα-helixtrans-60.7-33.117900000113.3L164 Q170 L171 V182L164-A168 WeakPolarHBondContact O-CB 3.31Å; L164-A168 PolarHBondContact O-N 3.01Å; A168-Q170 PolarHBondContact O-N 3.06Å; A168-L171 PolarHBondContact O-N 2.86Å; A168-V182 HydrophobicContact CB-CG2 3.32Å
169K95.4Very high96.4Very high177 Ų17765.4 Ų65.477%0.7731%0.312SS*.THydrogen-bonded Turntrans-62.3-16.9173.3-79.4171.5-174.7174.40114.6L165 Y167L165-K169 WeakPolarHBondContact O-CB 3.49Å; L165-K169 VanDerWaalsContact O-CD 3.32Å; L165-K169 WeakPolarHBondContact O-CD 3.46Å; L165-K169 WeakPolarHBondContact O-CG 3.39Å; L165-K169 PolarHBondContact O-N 3.25Å; Y167-K169 VanDerWaalsContact C-N 3.26Å; Y167-K169 PolarHBondContact O-N 2.93Å
170Q94.7Very high96.4Very high88 Ų8870.2 Ų70.241%0.41133%0.333SS..THydrogen-bonded Turntrans-95.5-8.2179.8-64.717472.700112.8K166 Y167 A168 F238K166-Q170 PolarHBondContact O-NE2 2.89Å; Y167-Q170 WeakPolarHBondContact O-CB 3.32Å; Y167-Q170 PolarHBondContact O-N 3.31Å; A168-Q170 PolarHBondContact O-N 3.06Å; Q170-F238 HydrophobicContact CB-CE1 4.01Å; Q170-F238 HydrophobicContact CB-CZ 4.25Å; Q170-F238 HydrophobicContact CG-CE1 4.48Å
171L94.6Very high96.4Very high14 Ų1470 Ų707%0.07333%0.331CS..  trans-78.7131.2177.1-57.8178.7000110.8A168 I178 L181 M211 I222 W225 F238A168-L171 PolarHBondContact O-N 2.86Å; L171-I178 HydrophobicContact CB-CD1 3.82Å; L171-I178 HydrophobicContact CB-CG1 4.36Å; L171-L181 HydrophobicContact CD1-CD2 4.12Å; L171-M211 HydrophobicContact CD1-CE 3.79Å; L171-I222 HydrophobicContact CD1-CG2 4.21Å; L171-I222 HydrophobicContact CD2-CG2 4.1Å; L171-W225 CarbonylContact C-O 3.43Å; L171-W225 WeakPolarHBondContact CA-O 3.39Å; L171-W225 HydrophobicContact CB-CB 4.1Å; L171-W225 HydrophobicContact CD1-CE3 4.21Å; L171-W225 HydrophobicContact CD2-CB 4.44Å; L171-F238 HydrophobicContact CD2-CE2 4.46Å; L171-F238 HydrophobicContact CD2-CZ 4.3Å
172K93.1Very high96.4Very high159 Ų15971.2 Ų71.269%0.69134%0.339SS*.  trans-112.574.5179.7-66.2-176.4-173150.60110.3W225 S227K172-W225 PolarHBondContact N-O 2.92Å; K172-S227 VanDerWaalsContact CD-OG 3.25Å; K172-S227 WeakPolarHBondContact CD-OG 3.49Å; K172-S227 WeakPolarHBondContact CE-OG 3.45Å; K172-S227 PolarHBondContact NZ-OG 3.24Å
173G90Very high96.4Very high29 Ų2972.2 Ų72.230%0.29934%0.343SS..SBendtrans-132.9-164.9178.600000112.4K175G173-K175 PolarHBondContact O-N 2.88Å
174D95Very high96.4Very high70 Ų7074.2 Ų74.237%0.37435%0.354SS..  trans-59.3119.7171.7177.9165.1000110.1N176 K177 I178D174-N176 PolarHBondContact O-N 3.14Å; D174-N176 WeakPolarHBondContact OD2-CB 3.35Å; D174-N176 PolarHBondContact OD2-N 3.23Å; D174-K177 HydrophobicContact CB-CB 4.04Å; D174-K177 HydrophobicContact CB-CD 3.9Å; D174-K177 HydrophobicContact CB-CG 3.84Å; D174-K177 PolarHBondContact O-N 2.91Å; D174-K177 VanDerWaalsContact O-N 3.13Å; D174-K177 WeakPolarHBondContact OD1-CE 3.16Å; D174-K177 PolarHBondContact OD2-N 3.01Å; D174-I178 WeakPolarHBondContact O-CG1 3.2Å; D174-I178 PolarHBondContact O-N 3.42Å
175K95.3Very high96.4Very high177 Ų17774.2 Ų74.277%0.7735%0.354SS*.Hα-helixtrans-57.6-35.6-177.8-66.9179.5179.4177.20112.5G173 Q179G173-K175 PolarHBondContact O-N 2.88Å; K175-Q179 VanDerWaalsContact O-CB 3.28Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.92Å
176N96.8Very high96.4Very high118 Ų11874.2 Ų74.263%0.63135%0.349SS*.Hα-helixtrans-72.8-39.7179.6-58.9-46.6000110.9D174 Q179 K180D174-N176 PolarHBondContact O-N 3.14Å; D174-N176 WeakPolarHBondContact OD2-CB 3.35Å; D174-N176 PolarHBondContact OD2-N 3.23Å; N176-Q179 PolarHBondContact O-N 2.78Å; N176-K180 WeakPolarHBondContact O-CB 3.47Å; N176-K180 PolarHBondContact O-N 3.43Å
177K97.6Very high96.4Very high85 Ų8571.6 Ų71.637%0.3734%0.343SS..Hα-helixtrans-65.7-43.1174.2-62.8-176.4-168.5179.50111.4D174 K180 L181 F220 W225D174-K177 HydrophobicContact CB-CB 4.04Å; D174-K177 HydrophobicContact CB-CD 3.9Å; D174-K177 HydrophobicContact CB-CG 3.84Å; D174-K177 PolarHBondContact O-N 2.91Å; D174-K177 VanDerWaalsContact O-N 3.13Å; D174-K177 WeakPolarHBondContact OD1-CE 3.16Å; D174-K177 PolarHBondContact OD2-N 3.01Å; K177-K180 PolarHBondContact O-N 2.88Å; K177-L181 WeakPolarHBondContact O-CB 3.42Å; K177-L181 PolarHBondContact O-N 3.23Å; K177-F220 HydrophobicContact CB-CD2 4.45Å; K177-F220 HydrophobicContact CB-CE1 4.11Å; K177-F220 HydrophobicContact CB-CE2 3.92Å; K177-F220 HydrophobicContact CB-CZ 3.72Å; K177-F220 HydrophobicContact CD-CD1 4.22Å; K177-F220 HydrophobicContact CD-CE1 3.9Å; K177-F220 HydrophobicContact CD-CZ 4.36Å; K177-F220 HydrophobicContact CG-CE1 3.84Å; K177-F220 HydrophobicContact CG-CZ 3.81Å; K177-F220 VanDerWaalsContact O-CE2 3.3Å; K177-F220 WeakPolarHBondContact O-CE2 3.41Å; K177-W225 HydrophobicContact CB-CH2 3.57Å; K177-W225 HydrophobicContact CB-CZ2 3.77Å; K177-W225 HydrophobicContact CB-CZ3 4.49Å; K177-W225 HydrophobicContact CD-CH2 4.48Å; K177-W225 HydrophobicContact CD-CZ2 3.89Å; K177-W225 HydrophobicContact CG-CZ2 4.5Å
178I97.3Very high96.5Very high23 Ų2371.7 Ų71.712%0.11834%0.344CS..Hα-helixtrans-63.8-43.2175.6-69.3169000111.1L171 D174 K180 L181 V182 W225L171-I178 HydrophobicContact CB-CD1 3.82Å; L171-I178 HydrophobicContact CB-CG1 4.36Å; D174-I178 WeakPolarHBondContact O-CG1 3.2Å; D174-I178 PolarHBondContact O-N 3.42Å; I178-K180 PolarHBondContact O-N 3.45Å; I178-L181 WeakPolarHBondContact O-CB 3.43Å; I178-L181 PolarHBondContact O-N 3.43Å; I178-V182 WeakPolarHBondContact O-CG2 3.26Å; I178-V182 PolarHBondContact O-N 3.2Å; I178-W225 HydrophobicContact CD1-CE3 4.12Å; I178-W225 HydrophobicContact CG1-CD2 4.22Å; I178-W225 HydrophobicContact CG1-CE3 3.46Å; I178-W225 VanDerWaalsContact CG1-CE3 3.46Å; I178-W225 HydrophobicContact CG1-CH2 4.45Å; I178-W225 HydrophobicContact CG1-CZ3 3.59Å
179Q97Very high96.6Very high131 Ų13171.4 Ų71.461%0.61234%0.341SS*.Hα-helixtrans-61.2-44175.9-177.2174.6-9.100111.7K175 N176 V182 Q183K175-Q179 VanDerWaalsContact O-CB 3.28Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.92Å; N176-Q179 PolarHBondContact O-N 2.78Å; Q179-V182 PolarHBondContact O-N 2.89Å; Q179-Q183 WeakPolarHBondContact O-CB 3.4Å; Q179-Q183 PolarHBondContact O-N 2.99Å
180K97.8Very high96.7Very high106 Ų10665 Ų6546%0.46132%0.316SS..Hα-helixtrans-63.5-41.6174.9-173.1-177177-167.30112.1N176 K177 I178 Q183 M184 F220N176-K180 WeakPolarHBondContact O-CB 3.47Å; N176-K180 PolarHBondContact O-N 3.43Å; K177-K180 PolarHBondContact O-N 2.88Å; I178-K180 PolarHBondContact O-N 3.45Å; K180-Q183 PolarHBondContact O-N 2.86Å; K180-M184 HydrophobicContact CG-SD 4.39Å; K180-M184 PolarHBondContact O-N 3.41Å; K180-F220 HydrophobicContact CB-CE2 4.45Å; K180-F220 HydrophobicContact CD-CE2 4.48Å; K180-F220 HydrophobicContact CD-CZ 4.2Å
181L98.3Very high96.8Very high0 Ų062.2 Ų62.20%030%0.304CS..Hα-helixtrans-56.4-51.9175.3-174.781.5000110.4L171 K177 I178 Q183 M184 A185 M211 A214 G215 F220 I222 W225L171-L181 HydrophobicContact CD1-CD2 4.12Å; K177-L181 WeakPolarHBondContact O-CB 3.42Å; K177-L181 PolarHBondContact O-N 3.23Å; I178-L181 WeakPolarHBondContact O-CB 3.43Å; I178-L181 PolarHBondContact O-N 3.43Å; L181-Q183 PolarHBondContact O-N 3.28Å; L181-M184 PolarHBondContact O-N 2.75Å; L181-A185 WeakPolarHBondContact O-CB 3.22Å; L181-A185 PolarHBondContact O-N 3.41Å; L181-M211 HydrophobicContact CD2-CE 4.34Å; L181-A214 HydrophobicContact CD1-CB 3.67Å; L181-A214 HydrophobicContact CG-CB 4.29Å; L181-G215 VanDerWaalsContact CD1-N 3.33Å; L181-F220 HydrophobicContact CB-CD2 4.43Å; L181-F220 HydrophobicContact CD1-CD2 4.17Å; L181-I222 HydrophobicContact CD1-CD1 3.86Å; L181-I222 HydrophobicContact CD1-CG1 4.38Å; L181-I222 HydrophobicContact CD2-CD1 3.97Å; L181-I222 HydrophobicContact CD2-CG1 4.28Å; L181-W225 HydrophobicContact CD2-CZ3 4.14Å
182V98.3Very high97Very high26 Ų2661.8 Ų61.816%0.15830%0.302CS..Hα-helixtrans-62.9-41.6179.91740000111.5L164 L165 A168 I178 Q179 M184 A185 W186L164-V182 HydrophobicContact CG-CG1 4.48Å; L165-V182 HydrophobicContact CD2-CG1 4.14Å; A168-V182 HydrophobicContact CB-CG2 3.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.26Å; I178-V182 PolarHBondContact O-N 3.2Å; Q179-V182 PolarHBondContact O-N 2.89Å; V182-M184 PolarHBondContact O-N 2.95Å; V182-A185 PolarHBondContact O-N 2.96Å; V182-W186 VanDerWaalsContact O-CB 3.26Å; V182-W186 WeakPolarHBondContact O-CB 3.46Å; V182-W186 PolarHBondContact O-N 3.34Å
183Q97.8Very high97.2Very high110 Ų11054.4 Ų54.451%0.51427%0.27SS..Hα-helixtrans-63.9-41.3179.3-173.1177.44.100112.6Q179 K180 L181 T187Q179-Q183 WeakPolarHBondContact O-CB 3.4Å; Q179-Q183 PolarHBondContact O-N 2.99Å; K180-Q183 PolarHBondContact O-N 2.86Å; L181-Q183 PolarHBondContact O-N 3.28Å; Q183-T187 PolarHBondContact O-N 3.35Å; Q183-T187 PolarHBondContact O-OG1 2.65Å
184M98.2Very high97.6Very high49 Ų4953.7 Ų53.724%0.24126%0.26CS..Hα-helixtrans-71.3-45.6175.3-74.2-178.358.400111.6K180 L181 V182 W186 T187 F188 A214 L217 C218K180-M184 HydrophobicContact CG-SD 4.39Å; K180-M184 PolarHBondContact O-N 3.41Å; L181-M184 PolarHBondContact O-N 2.75Å; V182-M184 PolarHBondContact O-N 2.95Å; M184-W186 VanDerWaalsContact C-N 3.29Å; M184-W186 PolarHBondContact O-N 3.16Å; M184-T187 WeakPolarHBondContact O-CB 3.33Å; M184-T187 PolarHBondContact O-N 2.95Å; M184-F188 HydrophobicContact CB-CE2 4.09Å; M184-F188 HydrophobicContact CE-CE2 4.19Å; M184-F188 HydrophobicContact CE-CZ 4.11Å; M184-F188 WeakPolarHBondContact O-CD2 3.26Å; M184-F188 WeakPolarHBondContact O-CG 3.45Å; M184-F188 PolarHBondContact O-N 3.08Å; M184-A214 HydrophobicContact CB-CB 3.87Å; M184-L217 HydrophobicContact CE-CB 4.04Å; M184-L217 HydrophobicContact CE-CD1 4.19Å; M184-C218 PolarHBondContact SD-SG 2.92Å
185A98.6Very high97.7Very high0 Ų051.1 Ų51.10%025%0.247CC..Hα-helixtrans-57.7-40.6176.700000112.2L164 L181 V182 T187 F188 V189 V210 M211 A214L164-A185 HydrophobicContact CD1-CB 3.62Å; L164-A185 HydrophobicContact CD2-CB 3.98Å; L164-A185 HydrophobicContact CG-CB 4.49Å; L181-A185 WeakPolarHBondContact O-CB 3.22Å; L181-A185 PolarHBondContact O-N 3.41Å; V182-A185 PolarHBondContact O-N 2.96Å; A185-T187 VanDerWaalsContact C-N 3.33Å; A185-T187 PolarHBondContact O-N 3.43Å; A185-F188 CarbonylContact O-C 3.56Å; A185-F188 PolarHBondContact O-N 3.3Å; A185-F188 VanDerWaalsContact O-N 3.17Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 3.03Å; A185-V210 HydrophobicContact CB-CB 4.16Å; A185-V210 HydrophobicContact CB-CG2 3.93Å; A185-M211 HydrophobicContact CB-CG 4.32Å; A185-A214 HydrophobicContact CB-CB 4.16Å
186W98.3Very high97.8Very high61 Ų6144.2 Ų44.223%0.23122%0.22CC..Hα-helixtrans-59.7-41.7174.5-168.5-70.4000112.4Y68 Y161 L164 L165 V182 M184 F188 V189 N190Y68-W186 HydrophobicContact CD1-CH2 4.35Å; Y68-W186 AromaticContact CD1-CZ2 3.77Å; Y68-W186 HydrophobicContact CD1-CZ2 3.77Å; Y68-W186 HydrophobicContact CD2-CH2 4.25Å; Y68-W186 AromaticContact CD2-CZ2 3.83Å; Y68-W186 HydrophobicContact CD2-CZ2 3.83Å; Y68-W186 AromaticContact CE1-CH2 3.81Å; Y68-W186 HydrophobicContact CE1-CH2 3.81Å; Y68-W186 AromaticContact CE1-CZ2 3.7Å; Y68-W186 HydrophobicContact CE1-CZ2 3.7Å; Y68-W186 AromaticContact CE2-CH2 3.72Å; Y68-W186 HydrophobicContact CE2-CH2 3.72Å; Y68-W186 AromaticContact CE2-CZ2 3.79Å; Y68-W186 HydrophobicContact CE2-CZ2 3.79Å; Y68-W186 AromaticContact CG-CZ2 3.86Å; Y68-W186 HydrophobicContact CG-CZ2 3.86Å; Y68-W186 AromaticContact CZ-CH2 3.51Å; Y68-W186 AromaticContact CZ-CZ2 3.76Å; Y161-W186 AromaticContact CD1-CD2 3.81Å; Y161-W186 HydrophobicContact CD1-CD2 3.81Å; Y161-W186 AromaticContact CD1-CE2 3.52Å; Y161-W186 HydrophobicContact CD1-CE3 4.05Å; Y161-W186 HydrophobicContact CD1-CG 4.45Å; Y161-W186 AromaticContact CD1-CH2 3.81Å; Y161-W186 HydrophobicContact CD1-CH2 3.81Å; Y161-W186 AromaticContact CD1-CZ2 3.54Å; Y161-W186 HydrophobicContact CD1-CZ2 3.54Å; Y161-W186 HydrophobicContact CD1-CZ3 4.04Å; Y161-W186 AromaticContact CD1-NE1 3.98Å; Y161-W186 HydrophobicContact CE1-CD2 4.24Å; Y161-W186 AromaticContact CE1-CE2 3.74Å; Y161-W186 HydrophobicContact CE1-CZ2 4.01Å; Y161-W186 AromaticContact CE1-NE1 3.7Å; Y161-W186 HydrophobicContact CG-CH2 4.12Å; Y161-W186 HydrophobicContact CG-CZ2 4.15Å; Y161-W186 HydrophobicContact CG-CZ3 4.47Å; L164-W186 HydrophobicContact CD2-CB 4.14Å; L164-W186 HydrophobicContact CD2-CE3 4.13Å; L165-W186 HydrophobicContact CD1-CZ3 3.97Å; L165-W186 HydrophobicContact CD2-CZ3 4.21Å; L165-W186 HydrophobicContact CG-CZ3 4.06Å; V182-W186 VanDerWaalsContact O-CB 3.26Å; V182-W186 WeakPolarHBondContact O-CB 3.46Å; V182-W186 PolarHBondContact O-N 3.34Å; M184-W186 VanDerWaalsContact C-N 3.29Å; M184-W186 PolarHBondContact O-N 3.16Å; W186-F188 VanDerWaalsContact C-N 3.32Å; W186-F188 PolarHBondContact O-N 2.95Å; W186-V189 PolarHBondContact O-N 3.41Å; W186-N190 PolarHBondContact O-N 3.12Å
187T97.7Very high97.9Very high64 Ų6438.6 Ų38.639%0.39319%0.19SC..Hα-helixtrans-60.7-45.6175.1-51.60000110.1Q183 M184 A185 V189 N190 D191Q183-T187 PolarHBondContact O-N 3.35Å; Q183-T187 PolarHBondContact O-OG1 2.65Å; M184-T187 WeakPolarHBondContact O-CB 3.33Å; M184-T187 PolarHBondContact O-N 2.95Å; A185-T187 VanDerWaalsContact C-N 3.33Å; A185-T187 PolarHBondContact O-N 3.43Å; T187-V189 VanDerWaalsContact C-N 3.29Å; T187-V189 PolarHBondContact O-N 3.25Å; T187-N190 WeakPolarHBondContact O-CA 3.34Å; T187-N190 VanDerWaalsContact O-CB 3.31Å; T187-N190 WeakPolarHBondContact O-CB 3.4Å; T187-N190 PolarHBondContact O-N 3.08Å; T187-D191 PolarHBondContact O-N 3.19Å; T187-D191 VanDerWaalsContact O-OD2 3.1Å
188F98.5Very high98Very high12 Ų1235.2 Ų35.25%0.05318%0.177CC..Hα-helixtrans-66.7-23.8176.8-56.7-42000114.1M184 A185 W186 S192 V210 L213 A214 L217 I254 Y258M184-F188 HydrophobicContact CB-CE2 4.09Å; M184-F188 HydrophobicContact CE-CE2 4.19Å; M184-F188 HydrophobicContact CE-CZ 4.11Å; M184-F188 WeakPolarHBondContact O-CD2 3.26Å; M184-F188 WeakPolarHBondContact O-CG 3.45Å; M184-F188 PolarHBondContact O-N 3.08Å; A185-F188 CarbonylContact O-C 3.56Å; A185-F188 PolarHBondContact O-N 3.3Å; A185-F188 VanDerWaalsContact O-N 3.17Å; W186-F188 VanDerWaalsContact C-N 3.32Å; W186-F188 PolarHBondContact O-N 2.95Å; F188-S192 WeakPolarHBondContact O-CB 3.49Å; F188-S192 PolarHBondContact O-N 3.41Å; F188-V210 HydrophobicContact CB-CB 3.92Å; F188-V210 HydrophobicContact CB-CG1 3.64Å; F188-L213 HydrophobicContact CB-CD2 4.37Å; F188-L213 HydrophobicContact CD1-CD2 4.06Å; F188-L213 HydrophobicContact CD2-CB 4.24Å; F188-L213 HydrophobicContact CD2-CD2 3.74Å; F188-L213 HydrophobicContact CD2-CG 3.93Å; F188-L213 HydrophobicContact CE1-CD2 4.3Å; F188-L213 HydrophobicContact CE2-CB 4.46Å; F188-L213 HydrophobicContact CE2-CD2 4.01Å; F188-L213 HydrophobicContact CE2-CG 3.86Å; F188-L213 HydrophobicContact CG-CD2 3.79Å; F188-L213 HydrophobicContact CG-CG 4.48Å; F188-L213 HydrophobicContact CZ-CD2 4.29Å; F188-L213 HydrophobicContact CZ-CG 4.34Å; F188-A214 HydrophobicContact CD2-CB 4.39Å; F188-A214 HydrophobicContact CE2-CB 4.16Å; F188-L217 HydrophobicContact CE1-CD1 4.42Å; F188-L217 HydrophobicContact CE2-CD1 3.77Å; F188-L217 HydrophobicContact CZ-CD1 3.43Å; F188-L217 VanDerWaalsContact CZ-CD1 3.43Å; F188-I254 HydrophobicContact CB-CD1 4.39Å; F188-I254 HydrophobicContact CB-CG2 4.26Å; F188-I254 HydrophobicContact CD1-CG2 4.08Å; F188-I254 HydrophobicContact CG-CG2 4.44Å; F188-Y258 HydrophobicContact CE1-CE2 4.49Å
189V98.6Very high98Very high0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-65-48.5167-177.30000110P160 Y161 L164 A185 W186 T187 D191 S192 L193 V210P160-V189 HydrophobicContact CB-CG1 3.82Å; P160-V189 HydrophobicContact CB-CG2 3.94Å; P160-V189 HydrophobicContact CG-CG1 3.95Å; Y161-V189 HydrophobicContact CD1-CB 4.06Å; Y161-V189 HydrophobicContact CD1-CG1 3.79Å; Y161-V189 HydrophobicContact CD1-CG2 4.42Å; Y161-V189 HydrophobicContact CD2-CG1 4.33Å; Y161-V189 HydrophobicContact CE1-CB 3.65Å; Y161-V189 HydrophobicContact CE1-CG1 3.38Å; Y161-V189 HydrophobicContact CE1-CG2 4.48Å; Y161-V189 HydrophobicContact CE2-CG1 3.96Å; Y161-V189 HydrophobicContact CG-CG1 4.24Å; Y161-V189 VanDerWaalsContact CZ-CG1 3.48Å; L164-V189 HydrophobicContact CD2-CG2 4.3Å; A185-V189 WeakPolarHBondContact O-CG2 3.47Å; A185-V189 PolarHBondContact O-N 3.03Å; W186-V189 PolarHBondContact O-N 3.41Å; T187-V189 VanDerWaalsContact C-N 3.29Å; T187-V189 PolarHBondContact O-N 3.25Å; V189-D191 VanDerWaalsContact C-N 3.25Å; V189-D191 PolarHBondContact O-N 2.95Å; V189-S192 PolarHBondContact O-N 3.49Å; V189-S192 VanDerWaalsContact O-N 3.1Å; V189-S192 PolarHBondContact O-OG 3.17Å; V189-L193 PolarHBondContact O-N 3.05Å; V189-V210 HydrophobicContact CG2-CG1 4.26Å; V189-V210 HydrophobicContact CG2-CG2 3.82Å
190N97Very high98.1Very high43 Ų4328.7 Ų28.723%0.2315%0.146CC..Hα-helixtrans-57.2-40.8176.8-57.8-18.8000111.5Y161 W186 T187Y161-N190 WeakPolarHBondContact CE1-OD1 3.39Å; Y161-N190 PolarHBondContact OH-OD1 3.41Å; W186-N190 PolarHBondContact O-N 3.12Å; T187-N190 WeakPolarHBondContact O-CA 3.34Å; T187-N190 VanDerWaalsContact O-CB 3.31Å; T187-N190 WeakPolarHBondContact O-CB 3.4Å; T187-N190 PolarHBondContact O-N 3.08Å
191D97.3Very high98.1Very high30 Ų3026.8 Ų26.816%0.1614%0.136CC..Hα-helixtrans-67.9-41.2175.9-64.7-50.3000112T187 V189 L193 C194 I254 L257 Y258T187-D191 PolarHBondContact O-N 3.19Å; T187-D191 VanDerWaalsContact O-OD2 3.1Å; V189-D191 VanDerWaalsContact C-N 3.25Å; V189-D191 PolarHBondContact O-N 2.95Å; D191-L193 PolarHBondContact O-N 2.86Å; D191-C194 VanDerWaalsContact O-CB 3.3Å; D191-C194 WeakPolarHBondContact O-CB 3.32Å; D191-C194 PolarHBondContact O-N 3.18Å; D191-I254 HydrophobicContact CB-CG2 4.12Å; D191-L257 HydrophobicContact CB-CD1 3.87Å; D191-L257 VanDerWaalsContact O-CD1 3.27Å; D191-L257 WeakPolarHBondContact O-CD1 3.43Å; D191-Y258 PolarHBondContact OD2-OH 3.34Å
192S98.4Very high98.1Very high4 Ų430.5 Ų30.53%0.02815%0.153CC..Hα-helixtrans-59.6-31.2178.476.60000112.9F188 V189 C194 T195F188-S192 WeakPolarHBondContact O-CB 3.49Å; F188-S192 PolarHBondContact O-N 3.41Å; V189-S192 PolarHBondContact O-N 3.49Å; V189-S192 VanDerWaalsContact O-N 3.1Å; V189-S192 PolarHBondContact O-OG 3.17Å; S192-C194 PolarHBondContact O-N 2.67Å; S192-T195 WeakPolarHBondContact O-CB 3.24Å; S192-T195 PolarHBondContact O-N 3.1Å; S192-T195 PolarHBondContact O-OG1 2.85Å
193L98.2Very high98.1Very high4 Ų429.9 Ų29.92%0.02115%0.149CC..THydrogen-bonded Turntrans-65.6-16.7173.6-68.3173.1000113.3A54 A72 I75 I76 Y161 V189 D191 T195A54-L193 WeakPolarHBondContact CB-O 3.45Å; A72-L193 HydrophobicContact CB-CD1 3.75Å; A72-L193 HydrophobicContact CB-CD2 4.17Å; I75-L193 HydrophobicContact CD1-CB 4.2Å; I75-L193 HydrophobicContact CD1-CD1 4.37Å; I75-L193 HydrophobicContact CG2-CB 4.11Å; I75-L193 HydrophobicContact CG2-CD2 4.41Å; I75-L193 WeakPolarHBondContact CG2-O 3.44Å; I76-L193 HydrophobicContact CG1-CD2 4.44Å; Y161-L193 HydrophobicContact CE2-CD1 4.46Å; Y161-L193 VanDerWaalsContact OH-CD1 3.29Å; Y161-L193 WeakPolarHBondContact OH-CD1 3.43Å; V189-L193 PolarHBondContact O-N 3.05Å; D191-L193 PolarHBondContact O-N 2.86Å; L193-T195 VanDerWaalsContact C-N 3.26Å
194C97.2Very high98.1Very high15 Ų1527.4 Ų27.410%0.10114%0.138CC..THydrogen-bonded Turntrans-83.72.5171-64.50000113.3R51 D191 S192 L257R51-C194 HydrophobicContact CG-CB 4.21Å; R51-C194 WeakPolarHBondContact CG-O 3.49Å; D191-C194 VanDerWaalsContact O-CB 3.3Å; D191-C194 WeakPolarHBondContact O-CB 3.32Å; D191-C194 PolarHBondContact O-N 3.18Å; S192-C194 PolarHBondContact O-N 2.67Å; C194-L257 HydrophobicContact CB-CD1 4.32Å; C194-L257 HydrophobicContact CB-CD2 4.44Å
195T97.5Very high98.1Very high15 Ų1526 Ų269%0.09213%0.131CC..THydrogen-bonded Turntrans-121.6174.4-176.475.60000111.4H79 S192 L193 L197 L257H79-T195 PolarHBondContact CE1-O 3.45Å; H79-T195 PolarHBondContact ND1-O 2.88Å; S192-T195 WeakPolarHBondContact O-CB 3.24Å; S192-T195 PolarHBondContact O-N 3.1Å; S192-T195 PolarHBondContact O-OG1 2.85Å; L193-T195 VanDerWaalsContact C-N 3.26Å; T195-L197 PolarHBondContact O-N 3.34Å; T195-L197 VanDerWaalsContact OG1-CB 3.26Å; T195-L197 WeakPolarHBondContact OG1-CB 3.38Å; T195-L197 WeakPolarHBondContact OG1-CD1 3.29Å; T195-L197 WeakPolarHBondContact OG1-CG 3.47Å; T195-L197 PolarHBondContact OG1-N 2.9Å; T195-L197 VanDerWaalsContact OG1-N 3.08Å; T195-L257 HydrophobicContact CG2-CD1 3.83Å; T195-L257 HydrophobicContact CG2-CD2 4.17Å; T195-L257 HydrophobicContact CG2-CG 4.17Å
196T98.2Very high98.1Very high33 Ų3326.2 Ų26.220%0.20213%0.132CC..G310 helixtrans-8015.1171.149.10000113.7L31 S198 L199 Q200L31-T196 HydrophobicContact CD2-CG2 4.19Å; T196-S198 VanDerWaalsContact C-N 3.35Å; T196-S198 PolarHBondContact O-N 3.25Å; T196-L199 HydrophobicContact CG2-CD1 4.19Å; T196-L199 WeakPolarHBondContact O-CB 3.3Å; T196-L199 PolarHBondContact O-N 3.08Å; T196-Q200 PolarHBondContact O-N 3.02Å; T196-Q200 PolarHBondContact O-NE2 3.35Å; T196-Q200 PolarHBondContact OG1-NE2 3.06Å
197L98.6Very high98.1Very high0 Ų023.3 Ų23.30%012%0.121CC..G310 helixtrans-61.7-38.4-177.8-77.8170.6000113.4T195 L199 Q200 W201 I206 I250 Q253 I254T195-L197 PolarHBondContact O-N 3.34Å; T195-L197 VanDerWaalsContact OG1-CB 3.26Å; T195-L197 WeakPolarHBondContact OG1-CB 3.38Å; T195-L197 WeakPolarHBondContact OG1-CD1 3.29Å; T195-L197 WeakPolarHBondContact OG1-CG 3.47Å; T195-L197 PolarHBondContact OG1-N 2.9Å; T195-L197 VanDerWaalsContact OG1-N 3.08Å; L197-L199 PolarHBondContact O-N 3.44Å; L197-L199 VanDerWaalsContact O-N 3.1Å; L197-Q200 PolarHBondContact O-N 2.84Å; L197-W201 PolarHBondContact O-N 3.44Å; L197-I206 HydrophobicContact CB-CD1 4.24Å; L197-I250 HydrophobicContact CD1-CG2 3.85Å; L197-I250 HydrophobicContact CD2-CB 4.15Å; L197-I250 HydrophobicContact CD2-CG1 3.84Å; L197-I250 HydrophobicContact CD2-CG2 3.89Å; L197-Q253 HydrophobicContact CD1-CB 4.21Å; L197-Q253 HydrophobicContact CD2-CB 4.2Å; L197-Q253 HydrophobicContact CD2-CG 4.47Å; L197-Q253 HydrophobicContact CG-CB 4.27Å; L197-I254 HydrophobicContact CD1-CD1 4.1Å; L197-I254 HydrophobicContact CD1-CG1 3.61Å
198S98.3Very high98.2Very high14 Ų1420.3 Ų20.310%0.09810%0.103CC..G310 helixtrans-701.5173.656.70000114.7T196T196-S198 VanDerWaalsContact C-N 3.35Å; T196-S198 PolarHBondContact O-N 3.25Å
199L98.5Very high98.2Very high0 Ų019.7 Ų19.70%010%0.1CC..G310 helixtrans-111.6-1169.8-54.1176.7000112.3Y25 W26 L31 H79 R80 M83 T196 L197Y25-L199 CarbonylContact C-O 3.03Å; Y25-L199 WeakPolarHBondContact CA-O 3.49Å; W26-L199 HydrophobicContact CE3-CB 4.03Å; W26-L199 HydrophobicContact CE3-CD2 4.18Å; W26-L199 HydrophobicContact CZ3-CD2 3.8Å; W26-L199 PolarHBondContact N-O 3.33Å; L31-L199 HydrophobicContact CD2-CB 4.5Å; L31-L199 HydrophobicContact CD2-CD1 4.24Å; H79-L199 HydrophobicContact CB-CD1 4.03Å; H79-L199 HydrophobicContact CB-CD2 4.03Å; H79-L199 HydrophobicContact CB-CG 4.08Å; R80-L199 HydrophobicContact CG-CD2 3.97Å; M83-L199 HydrophobicContact CG-CD1 3.88Å; M83-L199 HydrophobicContact SD-CD1 3.93Å; T196-L199 HydrophobicContact CG2-CD1 4.19Å; T196-L199 WeakPolarHBondContact O-CB 3.3Å; T196-L199 PolarHBondContact O-N 3.08Å; L197-L199 PolarHBondContact O-N 3.44Å; L197-L199 VanDerWaalsContact O-N 3.1Å
200Q98.2Very high98.2Very high17 Ų1719.7 Ų19.78%0.07910%0.1CC..THydrogen-bonded Turntrans-114.6-35.8-178.8-72165.188.900112.2L31 T196 L197L31-Q200 HydrophobicContact CD1-CG 3.51Å; T196-Q200 PolarHBondContact O-N 3.02Å; T196-Q200 PolarHBondContact O-NE2 3.35Å; T196-Q200 PolarHBondContact OG1-NE2 3.06Å; L197-Q200 PolarHBondContact O-N 2.84Å
201W98.2Very high98.3Very high66 Ų6617.7 Ų17.725%0.259%0.089CC..SBendtrans-139.3147.4-167.4-58.6111.2000112.8Y25 L197 I205 I206 V246 I250Y25-W201 WeakPolarHBondContact CE1-O 3.08Å; L197-W201 PolarHBondContact O-N 3.44Å; W201-I205 HydrophobicContact CB-CB 4.36Å; W201-I205 HydrophobicContact CB-CG2 4.38Å; W201-I205 HydrophobicContact CE3-CD1 4.07Å; W201-I205 HydrophobicContact CE3-CG2 4.44Å; W201-I206 HydrophobicContact CB-CD1 4.45Å; W201-I206 HydrophobicContact CB-CG1 4.01Å; W201-V246 HydrophobicContact CD2-CG1 4.09Å; W201-V246 HydrophobicContact CE3-CG1 4.12Å; W201-V246 HydrophobicContact CH2-CB 4.26Å; W201-V246 HydrophobicContact CH2-CG1 3.68Å; W201-V246 HydrophobicContact CH2-CG2 3.5Å; W201-V246 VanDerWaalsContact CH2-CG2 3.5Å; W201-V246 HydrophobicContact CZ2-CB 4.3Å; W201-V246 HydrophobicContact CZ2-CG1 3.62Å; W201-V246 HydrophobicContact CZ2-CG2 3.8Å; W201-V246 HydrophobicContact CZ3-CG1 3.92Å; W201-V246 HydrophobicContact CZ3-CG2 4.27Å; W201-I250 HydrophobicContact CB-CD1 4.49Å; W201-I250 HydrophobicContact CD2-CD1 4.32Å; W201-I250 HydrophobicContact CG-CD1 3.89Å; W201-I250 HydrophobicContact CG-CG1 4.33Å
202E97.9Very high98.3Very high77 Ų7717.3 Ų17.336%0.369%0.086SC..  trans-58.4147.8171.4-71.484.1166.700112.4Y25 E204 I205 I206Y25-E202 HydrophobicContact CE2-CG 3.89Å; E202-E204 PolarHBondContact O-N 2.86Å; E202-I205 HydrophobicContact CB-CD1 4.38Å; E202-I205 HydrophobicContact CB-CG1 4.27Å; E202-I205 PolarHBondContact O-N 3.5Å; E202-I205 WeakPolarHBondContact OE2-CD1 3.47Å; E202-I206 PolarHBondContact O-N 3.39Å
203P98.5Very high98.4Very high13 Ų1317.1 Ų17.18%0.0849%0.085CC..Hα-helixtrans-60.8-27.9179.925-34.1000113.3E158 P160 F163 A207E158-P203 HydrophobicContact CB-CG 4.17Å; E158-P203 WeakPolarHBondContact O-CG 3.47Å; P160-P203 HydrophobicContact CG-CB 4.05Å; F163-P203 HydrophobicContact CD2-CB 3.9Å; F163-P203 HydrophobicContact CD2-CG 4.21Å; F163-P203 HydrophobicContact CE2-CB 3.8Å; F163-P203 HydrophobicContact CE2-CG 3.62Å; F163-P203 HydrophobicContact CZ-CG 4.46Å; P203-A207 VanDerWaalsContact O-CB 3.27Å; P203-A207 WeakPolarHBondContact O-CB 3.46Å; P203-A207 PolarHBondContact O-N 3.2Å
204E98.5Very high98.4Very high59 Ų5917 Ų1728%0.2768%0.084SC..Hα-helixtrans-58.4-47.1168.5-72.689.2156.300113F163 Y167 E202 A207 V208 V239F163-E204 HydrophobicContact CD1-CG 3.63Å; F163-E204 HydrophobicContact CD2-CG 4.36Å; F163-E204 HydrophobicContact CE1-CG 3.64Å; F163-E204 WeakPolarHBondContact CE1-OE1 3.47Å; F163-E204 HydrophobicContact CE2-CG 4.39Å; F163-E204 HydrophobicContact CG-CG 4Å; F163-E204 VanDerWaalsContact CZ-CD 3.49Å; F163-E204 HydrophobicContact CZ-CG 4.04Å; F163-E204 WeakPolarHBondContact CZ-OE1 3.43Å; Y167-E204 WeakPolarHBondContact OH-CB 3.4Å; Y167-E204 WeakPolarHBondContact OH-CG 3.17Å; E202-E204 PolarHBondContact O-N 2.86Å; E204-A207 PolarHBondContact O-N 3.3Å; E204-V208 PolarHBondContact O-N 3.02Å; E204-V239 HydrophobicContact CB-CG1 3.8Å
205I98.6Very high98.4Very high20 Ų2016.3 Ų16.310%0.1038%0.08CC..Hα-helixtrans-70.8-42.3-177-58.8-179.8000109.5W201 E202 A207 V208 A209 V242 V246 I250W201-I205 HydrophobicContact CB-CB 4.36Å; W201-I205 HydrophobicContact CB-CG2 4.38Å; W201-I205 HydrophobicContact CE3-CD1 4.07Å; W201-I205 HydrophobicContact CE3-CG2 4.44Å; E202-I205 HydrophobicContact CB-CD1 4.38Å; E202-I205 HydrophobicContact CB-CG1 4.27Å; E202-I205 PolarHBondContact O-N 3.5Å; E202-I205 WeakPolarHBondContact OE2-CD1 3.47Å; I205-A207 VanDerWaalsContact C-N 3.32Å; I205-A207 PolarHBondContact O-N 3.08Å; I205-V208 PolarHBondContact O-N 3.29Å; I205-A209 WeakPolarHBondContact O-CB 3.21Å; I205-A209 PolarHBondContact O-N 2.9Å; I205-V242 HydrophobicContact CD1-CG2 4.03Å; I205-V242 HydrophobicContact CG1-CG2 4.04Å; I205-V242 HydrophobicContact CG2-CG1 4.21Å; I205-V242 HydrophobicContact CG2-CG2 4.49Å; I205-V246 HydrophobicContact CG2-CG1 4.16Å; I205-I250 HydrophobicContact CG2-CD1 3.81Å
206I98.7Very high98.4Very high4 Ų419 Ų192%0.0219%0.088CC..Hα-helixtrans-60.2-43.2173.8-60.8171.9000110.3P160 L197 W201 E202 V208 A209 V210P160-I206 HydrophobicContact CB-CB 4.29Å; P160-I206 HydrophobicContact CB-CG2 4.06Å; P160-I206 HydrophobicContact CG-CB 3.85Å; P160-I206 HydrophobicContact CG-CD1 4.42Å; P160-I206 HydrophobicContact CG-CG2 3.64Å; L197-I206 HydrophobicContact CB-CD1 4.24Å; W201-I206 HydrophobicContact CB-CD1 4.45Å; W201-I206 HydrophobicContact CB-CG1 4.01Å; E202-I206 PolarHBondContact O-N 3.39Å; I206-V208 VanDerWaalsContact C-N 3.35Å; I206-V208 PolarHBondContact O-N 3.47Å; I206-A209 PolarHBondContact O-N 2.96Å; I206-V210 HydrophobicContact CG2-CG1 4.46Å; I206-V210 WeakPolarHBondContact O-CG2 3.18Å; I206-V210 PolarHBondContact O-N 2.58Å
207A98.8Very high98.3Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-60.9-40.6177.400000112.9P160 F163 L164 Y167 P203 E204 I205 V210 M211P160-A207 HydrophobicContact CB-CB 4.13Å; P160-A207 WeakPolarHBondContact O-CB 3.32Å; F163-A207 HydrophobicContact CB-CB 3.6Å; L164-A207 HydrophobicContact CB-CB 4.37Å; Y167-A207 HydrophobicContact CD2-CB 4.33Å; Y167-A207 HydrophobicContact CE2-CB 4.17Å; P203-A207 VanDerWaalsContact O-CB 3.27Å; P203-A207 WeakPolarHBondContact O-CB 3.46Å; P203-A207 PolarHBondContact O-N 3.2Å; E204-A207 PolarHBondContact O-N 3.3Å; I205-A207 VanDerWaalsContact C-N 3.32Å; I205-A207 PolarHBondContact O-N 3.08Å; A207-V210 VanDerWaalsContact O-CG2 3.23Å; A207-V210 WeakPolarHBondContact O-CG2 3.29Å; A207-M211 WeakPolarHBondContact O-CG 3.31Å; A207-M211 PolarHBondContact O-N 2.99Å
208V98.6Very high98.2Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-65.1-44.2172.6165.90000111.3Y167 E204 I205 I206 M211 Y212 W234 W235 F238 V239 L247Y167-V208 HydrophobicContact CD2-CG2 4.11Å; Y167-V208 HydrophobicContact CE2-CG2 3.91Å; E204-V208 PolarHBondContact O-N 3.02Å; I205-V208 PolarHBondContact O-N 3.29Å; I206-V208 VanDerWaalsContact C-N 3.35Å; I206-V208 PolarHBondContact O-N 3.47Å; V208-M211 WeakPolarHBondContact O-CB 3.45Å; V208-M211 PolarHBondContact O-N 3.05Å; V208-Y212 WeakPolarHBondContact O-CB 3.45Å; V208-Y212 PolarHBondContact O-N 3.32Å; V208-W234 HydrophobicContact CG1-CH2 4.04Å; V208-W235 HydrophobicContact CG1-CB 3.4Å; V208-W235 HydrophobicContact CG1-CG 3.85Å; V208-W235 HydrophobicContact CG2-CB 4.28Å; V208-F238 HydrophobicContact CG2-CB 4.33Å; V208-V239 HydrophobicContact CB-CG2 4.47Å; V208-V239 HydrophobicContact CG1-CG2 4.42Å; V208-V239 HydrophobicContact CG2-CG1 4.11Å; V208-V239 HydrophobicContact CG2-CG2 3.94Å; V208-L247 HydrophobicContact CG1-CD1 3.85Å; V208-L247 HydrophobicContact CG1-CD2 3.78Å
209A98.8Very high98.1Very high0 Ų026.9 Ų26.90%012%0.122CC..Hα-helixtrans-64.8-39.4-179.100000113I205 I206 M211 Y212 L213 L247 I250I205-A209 WeakPolarHBondContact O-CB 3.21Å; I205-A209 PolarHBondContact O-N 2.9Å; I206-A209 PolarHBondContact O-N 2.96Å; A209-M211 VanDerWaalsContact C-N 3.34Å; A209-M211 PolarHBondContact O-N 3.1Å; A209-Y212 WeakPolarHBondContact O-CB 3.38Å; A209-Y212 PolarHBondContact O-N 2.81Å; A209-L213 WeakPolarHBondContact O-CB 3.23Å; A209-L213 PolarHBondContact O-N 3.27Å; A209-L247 HydrophobicContact CB-CD2 4Å; A209-I250 HydrophobicContact CB-CB 3.74Å; A209-I250 HydrophobicContact CB-CD1 3.84Å; A209-I250 HydrophobicContact CB-CG1 4.41Å; A209-I250 HydrophobicContact CB-CG2 3.42Å; A209-I250 VanDerWaalsContact CB-CG2 3.42Å
210V98.7Very high98Very high0 Ų028.4 Ų28.40%013%0.128CC..Hα-helixtrans-69.6-31.3175.8-63.30000112.9A185 F188 V189 I206 A207 A214 I254A185-V210 HydrophobicContact CB-CB 4.16Å; A185-V210 HydrophobicContact CB-CG2 3.93Å; F188-V210 HydrophobicContact CB-CB 3.92Å; F188-V210 HydrophobicContact CB-CG1 3.64Å; V189-V210 HydrophobicContact CG2-CG1 4.26Å; V189-V210 HydrophobicContact CG2-CG2 3.82Å; I206-V210 HydrophobicContact CG2-CG1 4.46Å; I206-V210 WeakPolarHBondContact O-CG2 3.18Å; I206-V210 PolarHBondContact O-N 2.58Å; A207-V210 VanDerWaalsContact O-CG2 3.23Å; A207-V210 WeakPolarHBondContact O-CG2 3.29Å; V210-A214 VanDerWaalsContact O-CB 3.31Å; V210-A214 WeakPolarHBondContact O-CB 3.41Å; V210-A214 PolarHBondContact O-N 3.33Å; V210-I254 HydrophobicContact CG1-CD1 3.82Å
211M98.6Very high97.8Very high0 Ų033 Ų330%015%0.15CC..Hα-helixtrans-68.3-42.2170-72.7173.362.500111.1L164 Y167 L171 L181 A185 A207 V208 A209 A214 G215 I222 W234L164-M211 HydrophobicContact CD1-CG 3.43Å; L164-M211 VanDerWaalsContact CD1-CG 3.43Å; L164-M211 HydrophobicContact CD1-SD 3.82Å; Y167-M211 HydrophobicContact CD2-SD 4.45Å; L171-M211 HydrophobicContact CD1-CE 3.79Å; L181-M211 HydrophobicContact CD2-CE 4.34Å; A185-M211 HydrophobicContact CB-CG 4.32Å; A207-M211 WeakPolarHBondContact O-CG 3.31Å; A207-M211 PolarHBondContact O-N 2.99Å; V208-M211 WeakPolarHBondContact O-CB 3.45Å; V208-M211 PolarHBondContact O-N 3.05Å; A209-M211 VanDerWaalsContact C-N 3.34Å; A209-M211 PolarHBondContact O-N 3.1Å; M211-A214 PolarHBondContact O-N 3.35Å; M211-G215 PolarHBondContact O-N 3.3Å; M211-I222 WeakPolarHBondContact O-CD1 3.19Å; M211-W234 HydrophobicContact CB-CH2 3.7Å; M211-W234 HydrophobicContact CB-CZ2 4.36Å; M211-W234 HydrophobicContact CE-CH2 4.16Å; M211-W234 HydrophobicContact CE-CZ3 3.9Å
212Y98.5Very high97.6Very high22 Ų2230.1 Ų30.19%0.08614%0.139CC..Hα-helixtrans-59.2-48.6174.9-174-88.1000111.4V208 A209 G215 R216 W234 W235 V244 L247 E248V208-Y212 WeakPolarHBondContact O-CB 3.45Å; V208-Y212 PolarHBondContact O-N 3.32Å; A209-Y212 WeakPolarHBondContact O-CB 3.38Å; A209-Y212 PolarHBondContact O-N 2.81Å; Y212-G215 PolarHBondContact O-N 2.94Å; Y212-R216 HydrophobicContact CD1-CG 4.06Å; Y212-R216 HydrophobicContact CE1-CG 3.67Å; Y212-R216 PolarHBondContact O-N 2.91Å; Y212-R216 PolarHBondContact OH-NE 3.12Å; Y212-R216 PolarHBondContact OH-NH2 3.16Å; Y212-W234 HydrophobicContact CD2-CZ2 4.32Å; Y212-W235 HydrophobicContact CD2-CE3 4.27Å; Y212-W235 HydrophobicContact CD2-CH2 4.32Å; Y212-W235 AromaticContact CD2-CZ3 3.79Å; Y212-W235 HydrophobicContact CD2-CZ3 3.79Å; Y212-W235 AromaticContact CE2-CH2 3.92Å; Y212-W235 HydrophobicContact CE2-CH2 3.92Å; Y212-W235 AromaticContact CE2-CZ3 3.68Å; Y212-W235 HydrophobicContact CE2-CZ3 3.68Å; Y212-V244 HydrophobicContact CE2-CG2 4.22Å; Y212-L247 HydrophobicContact CD1-CB 4.27Å; Y212-L247 HydrophobicContact CD2-CD1 3.84Å; Y212-L247 HydrophobicContact CE2-CD1 4.46Å; Y212-L247 HydrophobicContact CG-CB 4.24Å; Y212-L247 HydrophobicContact CG-CD1 4.09Å; Y212-E248 HydrophobicContact CE1-CG 4.38Å; Y212-E248 WeakPolarHBondContact CE1-OE1 3.38Å; Y212-E248 PolarHBondContact OH-OE1 3.29Å
213L98.6Very high97.4Very high1 Ų129.4 Ų29.41%0.00514%0.136CC..Hα-helixtrans-57.2-56.2174.7-17553.6000111.2F188 A209 G215 R216 L217 C251 I254 L255F188-L213 HydrophobicContact CB-CD2 4.37Å; F188-L213 HydrophobicContact CD1-CD2 4.06Å; F188-L213 HydrophobicContact CD2-CB 4.24Å; F188-L213 HydrophobicContact CD2-CD2 3.74Å; F188-L213 HydrophobicContact CD2-CG 3.93Å; F188-L213 HydrophobicContact CE1-CD2 4.3Å; F188-L213 HydrophobicContact CE2-CB 4.46Å; F188-L213 HydrophobicContact CE2-CD2 4.01Å; F188-L213 HydrophobicContact CE2-CG 3.86Å; F188-L213 HydrophobicContact CG-CD2 3.79Å; F188-L213 HydrophobicContact CG-CG 4.48Å; F188-L213 HydrophobicContact CZ-CD2 4.29Å; F188-L213 HydrophobicContact CZ-CG 4.34Å; A209-L213 WeakPolarHBondContact O-CB 3.23Å; A209-L213 PolarHBondContact O-N 3.27Å; L213-G215 PolarHBondContact O-N 2.97Å; L213-R216 PolarHBondContact O-N 3.46Å; L213-L217 HydrophobicContact CD1-CD1 3.78Å; L213-L217 HydrophobicContact CD1-CD2 4.29Å; L213-L217 HydrophobicContact CD1-CG 3.88Å; L213-L217 HydrophobicContact CG-CD1 3.84Å; L213-L217 HydrophobicContact CG-CG 4.3Å; L213-L217 WeakPolarHBondContact O-CB 3.46Å; L213-L217 WeakPolarHBondContact O-CG 3.3Å; L213-L217 PolarHBondContact O-N 3.16Å; L213-C251 HydrophobicContact CD1-CB 4.08Å; L213-I254 HydrophobicContact CD2-CB 4.29Å; L213-I254 HydrophobicContact CD2-CG2 3.96Å; L213-L255 HydrophobicContact CD1-CD1 4.04Å; L213-L255 HydrophobicContact CD1-CD2 4.49Å; L213-L255 HydrophobicContact CD1-CG 4.23Å
214A98.4Very high97.1Very high0 Ų035.7 Ų35.70%016%0.164CC..Hα-helixtrans-57.5-33.9179.400000112.7L181 M184 A185 F188 V210 M211 C218L181-A214 HydrophobicContact CD1-CB 3.67Å; L181-A214 HydrophobicContact CG-CB 4.29Å; M184-A214 HydrophobicContact CB-CB 3.87Å; A185-A214 HydrophobicContact CB-CB 4.16Å; F188-A214 HydrophobicContact CD2-CB 4.39Å; F188-A214 HydrophobicContact CE2-CB 4.16Å; V210-A214 VanDerWaalsContact O-CB 3.31Å; V210-A214 WeakPolarHBondContact O-CB 3.41Å; V210-A214 PolarHBondContact O-N 3.33Å; M211-A214 PolarHBondContact O-N 3.35Å; A214-C218 VanDerWaalsContact O-CB 3.29Å; A214-C218 WeakPolarHBondContact O-CB 3.3Å; A214-C218 PolarHBondContact O-N 3.36Å; A214-C218 PolarHBondContact O-SG 3.37Å; A214-C218 VanDerWaalsContact O-SG 3.39Å
215G97.8Very high96.9Very high2 Ų233.4 Ų33.42%0.02115%0.153CC..Hα-helixtrans-65.8-55.8174.200000112.8L181 M211 Y212 L213 L217 C218 K219 F220L181-G215 VanDerWaalsContact CD1-N 3.33Å; M211-G215 PolarHBondContact O-N 3.3Å; Y212-G215 PolarHBondContact O-N 2.94Å; L213-G215 PolarHBondContact O-N 2.97Å; G215-L217 VanDerWaalsContact C-N 3.31Å; G215-L217 PolarHBondContact O-N 2.92Å; G215-C218 PolarHBondContact O-N 3.02Å; G215-K219 PolarHBondContact O-N 3.29Å; G215-F220 PolarHBondContact O-N 3.49Å
216R97Very high96.5Very high71 Ų7133.6 Ų33.627%0.26816%0.155SC..Hα-helixtrans-52.4-48.2175.1-74.8-71.1-144.1152.110111.2Y212 L213 C218 K219 E248Y212-R216 HydrophobicContact CD1-CG 4.06Å; Y212-R216 HydrophobicContact CE1-CG 3.67Å; Y212-R216 PolarHBondContact O-N 2.91Å; Y212-R216 PolarHBondContact OH-NE 3.12Å; Y212-R216 PolarHBondContact OH-NH2 3.16Å; L213-R216 PolarHBondContact O-N 3.46Å; R216-C218 PolarHBondContact O-N 2.77Å; R216-K219 PolarHBondContact O-N 3.07Å; R216-E248 IonicContact CZ-OE1 2.69Å; R216-E248 IonicContact NE-OE1 3.46Å; R216-E248 PolarHBondContact NE-OE1 3.49Å; R216-E248 IonicContact NH2-OE1 3.52Å; R216-E248 PolarHBondContact NH2-OE1 2.76Å
217L96.7Very high95.5Very high33 Ų3336 Ų3617%0.17317%0.172CC..Hα-helixtrans-67.4-33.5-178.4-63.4-178.1000113.7M184 F188 L213 G215 L447M184-L217 HydrophobicContact CE-CB 4.04Å; M184-L217 HydrophobicContact CE-CD1 4.19Å; F188-L217 HydrophobicContact CE1-CD1 4.42Å; F188-L217 HydrophobicContact CE2-CD1 3.77Å; F188-L217 HydrophobicContact CZ-CD1 3.43Å; F188-L217 VanDerWaalsContact CZ-CD1 3.43Å; L213-L217 HydrophobicContact CD1-CD1 3.78Å; L213-L217 HydrophobicContact CD1-CD2 4.29Å; L213-L217 HydrophobicContact CD1-CG 3.88Å; L213-L217 HydrophobicContact CG-CD1 3.84Å; L213-L217 HydrophobicContact CG-CG 4.3Å; L213-L217 WeakPolarHBondContact O-CB 3.46Å; L213-L217 WeakPolarHBondContact O-CG 3.3Å; L213-L217 PolarHBondContact O-N 3.16Å; G215-L217 VanDerWaalsContact C-N 3.31Å; G215-L217 PolarHBondContact O-N 2.92Å; L217-L447 HydrophobicContact CD1-CD1 4.39Å; L217-L447 HydrophobicContact CD2-CB 4.01Å; L217-L447 HydrophobicContact CD2-CD1 3.52Å; L217-L447 HydrophobicContact CD2-CD2 3.47Å; L217-L447 VanDerWaalsContact CD2-CD2 3.47Å; L217-L447 HydrophobicContact CD2-CG 3.78Å
218C96.4Very high94.1Very high21 Ų2140.9 Ų40.914%0.14219%0.193CC..Hα-helixtrans-86.3-7.3175.4-73.30000114.3M184 A214 G215 R216 F220M184-C218 PolarHBondContact SD-SG 2.92Å; A214-C218 VanDerWaalsContact O-CB 3.29Å; A214-C218 WeakPolarHBondContact O-CB 3.3Å; A214-C218 PolarHBondContact O-N 3.36Å; A214-C218 PolarHBondContact O-SG 3.37Å; A214-C218 VanDerWaalsContact O-SG 3.39Å; G215-C218 PolarHBondContact O-N 3.02Å; R216-C218 PolarHBondContact O-N 2.77Å; C218-F220 VanDerWaalsContact C-N 3.33Å; C218-F220 HydrophobicContact CB-CB 4.37Å; C218-F220 HydrophobicContact CB-CD1 3.73Å; C218-F220 HydrophobicContact CB-CD2 3.35Å; C218-F220 HydrophobicContact CB-CE1 3.8Å; C218-F220 HydrophobicContact CB-CE2 3.44Å; C218-F220 VanDerWaalsContact CB-CE2 3.44Å; C218-F220 HydrophobicContact CB-CG 3.53Å; C218-F220 HydrophobicContact CB-CZ 3.67Å
219K96.3Very high92.9Very high159 Ų15947 Ų4769%0.69123%0.234SC*.THydrogen-bonded Turntrans53.949.8-166.6-53.9-174.7-179.4-173.30111.4G215 R216 M450G215-K219 PolarHBondContact O-N 3.29Å; R216-K219 PolarHBondContact O-N 3.07Å; K219-M450 WeakPolarHBondContact CE-SD 3.36Å
220F95.9Very high91.6Very high31 Ų3155.4 Ų55.414%0.13628%0.275CS..  trans-104.6117.8177.2-67.5-18.7000110.8K177 K180 L181 G215 C218 I222 W225K177-F220 HydrophobicContact CB-CD2 4.45Å; K177-F220 HydrophobicContact CB-CE1 4.11Å; K177-F220 HydrophobicContact CB-CE2 3.92Å; K177-F220 HydrophobicContact CB-CZ 3.72Å; K177-F220 HydrophobicContact CD-CD1 4.22Å; K177-F220 HydrophobicContact CD-CE1 3.9Å; K177-F220 HydrophobicContact CD-CZ 4.36Å; K177-F220 HydrophobicContact CG-CE1 3.84Å; K177-F220 HydrophobicContact CG-CZ 3.81Å; K177-F220 VanDerWaalsContact O-CE2 3.3Å; K177-F220 WeakPolarHBondContact O-CE2 3.41Å; K180-F220 HydrophobicContact CB-CE2 4.45Å; K180-F220 HydrophobicContact CD-CE2 4.48Å; K180-F220 HydrophobicContact CD-CZ 4.2Å; L181-F220 HydrophobicContact CB-CD2 4.43Å; L181-F220 HydrophobicContact CD1-CD2 4.17Å; G215-F220 PolarHBondContact O-N 3.49Å; C218-F220 VanDerWaalsContact C-N 3.33Å; C218-F220 HydrophobicContact CB-CB 4.37Å; C218-F220 HydrophobicContact CB-CD1 3.73Å; C218-F220 HydrophobicContact CB-CD2 3.35Å; C218-F220 HydrophobicContact CB-CE1 3.8Å; C218-F220 HydrophobicContact CB-CE2 3.44Å; C218-F220 VanDerWaalsContact CB-CE2 3.44Å; C218-F220 HydrophobicContact CB-CG 3.53Å; C218-F220 HydrophobicContact CB-CZ 3.67Å; F220-I222 VanDerWaalsContact C-N 3.32Å; F220-I222 PolarHBondContact O-N 2.78Å; F220-W225 HydrophobicContact CB-CH2 3.73Å; F220-W225 HydrophobicContact CB-CZ2 4Å; F220-W225 HydrophobicContact CD1-CH2 4.45Å; F220-W225 AromaticContact CD2-CH2 3.6Å; F220-W225 HydrophobicContact CD2-CH2 3.6Å; F220-W225 HydrophobicContact CD2-CZ2 4.43Å; F220-W225 HydrophobicContact CD2-CZ3 4.45Å; F220-W225 HydrophobicContact CE2-CH2 4.25Å; F220-W225 AromaticContact CG-CH2 3.7Å; F220-W225 HydrophobicContact CG-CH2 3.7Å; F220-W225 HydrophobicContact CG-CZ2 4.11Å
221E93.9Very high90.6Very high115 Ų11559.1 Ų59.154%0.53729%0.289SS..  trans-76.680173.3-63.2-51.713800111Q223 E224E221-Q223 PolarHBondContact O-N 2.73Å; E221-E224 HydrophobicContact CB-CG 3.84Å; E221-E224 WeakPolarHBondContact O-CB 3.41Å; E221-E224 PolarHBondContact O-N 2.61Å
222I94.9Very high89.9Confident5 Ų567.8 Ų67.83%0.02632%0.322CS..G310 helixtrans-55.3-26.5-178.8-60.6171000111.9L171 L181 M211 F220 E224 W225 W234L171-I222 HydrophobicContact CD1-CG2 4.21Å; L171-I222 HydrophobicContact CD2-CG2 4.1Å; L181-I222 HydrophobicContact CD1-CD1 3.86Å; L181-I222 HydrophobicContact CD1-CG1 4.38Å; L181-I222 HydrophobicContact CD2-CD1 3.97Å; L181-I222 HydrophobicContact CD2-CG1 4.28Å; M211-I222 WeakPolarHBondContact O-CD1 3.19Å; F220-I222 VanDerWaalsContact C-N 3.32Å; F220-I222 PolarHBondContact O-N 2.78Å; I222-E224 VanDerWaalsContact C-N 3.28Å; I222-E224 PolarHBondContact O-N 3.14Å; I222-W225 PolarHBondContact O-N 2.92Å; I222-W234 HydrophobicContact CB-CD2 4.11Å; I222-W234 HydrophobicContact CB-CG 4.14Å; I222-W234 HydrophobicContact CD1-CZ2 3.9Å; I222-W234 HydrophobicContact CG2-CB 4.43Å; I222-W234 HydrophobicContact CG2-CD2 3.5Å; I222-W234 HydrophobicContact CG2-CE3 3.74Å; I222-W234 HydrophobicContact CG2-CG 3.82Å; I222-W234 HydrophobicContact CG2-CZ2 4.36Å; I222-W234 HydrophobicContact CG2-CZ3 4.3Å
223Q93.4Very high89.6Confident61 Ų6170.3 Ų70.329%0.28533%0.332SS..G310 helixtrans-55.2-39.4174-167.672.444.900112.8E221 W225 T226 W234E221-Q223 PolarHBondContact O-N 2.73Å; Q223-W225 PolarHBondContact O-N 3.11Å; Q223-T226 PolarHBondContact O-N 3.36Å; Q223-T226 PolarHBondContact O-OG1 3.48Å; Q223-W234 HydrophobicContact CB-CB 4.48Å
224E92.6Very high89.4Confident145 Ų14571 Ų7168%0.67833%0.334SS*.G310 helixtrans-62.3-25.5177.8-62-179157.800112.6E221 I222 T226E221-E224 HydrophobicContact CB-CG 3.84Å; E221-E224 WeakPolarHBondContact O-CB 3.41Å; E221-E224 PolarHBondContact O-N 2.61Å; I222-E224 VanDerWaalsContact C-N 3.28Å; I222-E224 PolarHBondContact O-N 3.14Å; E224-T226 VanDerWaalsContact C-N 3.32Å
225W94.3Very high89.3Confident11 Ų1171.6 Ų71.64%0.04234%0.336CS..G310 helixtrans-92.85.3-176.1-47.6-14.5000111.8L171 K172 K177 I178 L181 F220 I222 Q223L171-W225 CarbonylContact C-O 3.43Å; L171-W225 WeakPolarHBondContact CA-O 3.39Å; L171-W225 HydrophobicContact CB-CB 4.1Å; L171-W225 HydrophobicContact CD1-CE3 4.21Å; L171-W225 HydrophobicContact CD2-CB 4.44Å; K172-W225 PolarHBondContact N-O 2.92Å; K177-W225 HydrophobicContact CB-CH2 3.57Å; K177-W225 HydrophobicContact CB-CZ2 3.77Å; K177-W225 HydrophobicContact CB-CZ3 4.49Å; K177-W225 HydrophobicContact CD-CH2 4.48Å; K177-W225 HydrophobicContact CD-CZ2 3.89Å; K177-W225 HydrophobicContact CG-CZ2 4.5Å; I178-W225 HydrophobicContact CD1-CE3 4.12Å; I178-W225 HydrophobicContact CG1-CD2 4.22Å; I178-W225 HydrophobicContact CG1-CE3 3.46Å; I178-W225 VanDerWaalsContact CG1-CE3 3.46Å; I178-W225 HydrophobicContact CG1-CH2 4.45Å; I178-W225 HydrophobicContact CG1-CZ3 3.59Å; L181-W225 HydrophobicContact CD2-CZ3 4.14Å; F220-W225 HydrophobicContact CB-CH2 3.73Å; F220-W225 HydrophobicContact CB-CZ2 4Å; F220-W225 HydrophobicContact CD1-CH2 4.45Å; F220-W225 AromaticContact CD2-CH2 3.6Å; F220-W225 HydrophobicContact CD2-CH2 3.6Å; F220-W225 HydrophobicContact CD2-CZ2 4.43Å; F220-W225 HydrophobicContact CD2-CZ3 4.45Å; F220-W225 HydrophobicContact CE2-CH2 4.25Å; F220-W225 AromaticContact CG-CH2 3.7Å; F220-W225 HydrophobicContact CG-CH2 3.7Å; F220-W225 HydrophobicContact CG-CZ2 4.11Å; I222-W225 PolarHBondContact O-N 2.92Å; Q223-W225 PolarHBondContact O-N 3.11Å
226T90.6Very high89.1Confident25 Ų2574 Ų7415%0.15335%0.347CS..  trans-84.8142.6177.967.40000111.9Q223 E224 K228 W234 Q237Q223-T226 PolarHBondContact O-N 3.36Å; Q223-T226 PolarHBondContact O-OG1 3.48Å; E224-T226 VanDerWaalsContact C-N 3.32Å; T226-K228 VanDerWaalsContact C-N 3.34Å; T226-W234 HydrophobicContact CG2-CB 3.52Å; T226-Q237 VanDerWaalsContact CG2-NE2 3.26Å
227S75.9Confident88.9Confident53 Ų5372.3 Ų72.337%0.37134%0.342SS..SBendtrans-84.3-5.5-178.5-64.90000114.5K172K172-S227 VanDerWaalsContact CD-OG 3.25Å; K172-S227 WeakPolarHBondContact CD-OG 3.49Å; K172-S227 WeakPolarHBondContact CE-OG 3.45Å; K172-S227 PolarHBondContact NZ-OG 3.24Å
228K71.1Confident88.8Confident103 Ų10372 Ų7245%0.44834%0.34SS..  trans-136.2101.8-165.1-70.8179.7176.4-179.90110.2T226 M230 Y231T226-K228 VanDerWaalsContact C-N 3.34Å; K228-M230 PolarHBondContact O-N 3.22Å; K228-Y231 HydrophobicContact CB-CD2 3.98Å; K228-Y231 HydrophobicContact CB-CE2 4.12Å; K228-Y231 HydrophobicContact CD-CD2 4.41Å; K228-Y231 HydrophobicContact CD-CE2 3.72Å
229P71.9Confident88.8Confident130 Ų13071.7 Ų71.784%0.84434%0.337SS*.THydrogen-bonded Turntrans-71.53.9177.331.1-36.4000114Y231P229-Y231 VanDerWaalsContact C-N 3.3Å
230M72.5Confident88.5Confident176 Ų17671 Ų7187%0.86734%0.336SS*.THydrogen-bonded Turntrans-71.3-21.1176.7-71174.1162.500113.8K228K228-M230 PolarHBondContact O-N 3.22Å
231Y76.9Confident88.3Confident77 Ų7775.5 Ų75.530%0.30236%0.361SS..  trans-96.3132.4-177.4-65-70.3000111K228 P229 E236 Q237K228-Y231 HydrophobicContact CB-CD2 3.98Å; K228-Y231 HydrophobicContact CB-CE2 4.12Å; K228-Y231 HydrophobicContact CD-CD2 4.41Å; K228-Y231 HydrophobicContact CD-CE2 3.72Å; P229-Y231 VanDerWaalsContact C-N 3.3Å; Y231-E236 HydrophobicContact CD1-CB 3.48Å; Y231-E236 VanDerWaalsContact CD1-CB 3.48Å; Y231-E236 HydrophobicContact CE1-CB 4.24Å; Y231-E236 WeakPolarHBondContact CE1-O 3.37Å; Y231-E236 HydrophobicContact CG-CB 4.08Å; Y231-Q237 HydrophobicContact CD2-CB 3.57Å; Y231-Q237 HydrophobicContact CE2-CB 3.41Å; Y231-Q237 VanDerWaalsContact CE2-CB 3.41Å; Y231-Q237 HydrophobicContact CG-CB 4.23Å
232R84.7Confident88.4Confident183 Ų18370.7 Ų70.769%0.69134%0.34SS*.SBendtrans-70.9-35.9179.2-173.7177.8-177.2-179.91.9110.9E236 Y458R232-E236 WeakPolarHBondContact CA-OE2 3.37Å; R232-E236 PolarHBondContact N-OE2 3.17Å; R232-Y458 PolarHBondContact O-OH 3.44Å
233R92.2Very high88.5Confident75 Ų7572 Ų7228%0.28335%0.349SS..SBendtrans-122.3136.2176.6-66.2155.3158.2175.40.7109.7W235 E236R233-W235 HydrophobicContact CB-CD2 3.83Å; R233-W235 HydrophobicContact CB-CE3 3.88Å; R233-W235 HydrophobicContact CB-CH2 3.88Å; R233-W235 HydrophobicContact CB-CZ2 3.82Å; R233-W235 HydrophobicContact CB-CZ3 3.89Å; R233-W235 HydrophobicContact CG-CH2 3.79Å; R233-W235 HydrophobicContact CG-CZ2 3.8Å; R233-W235 HydrophobicContact CG-CZ3 4.23Å; R233-W235 PolarHBondContact O-N 3.03Å; R233-E236 HydrophobicContact CB-CG 4.01Å; R233-E236 WeakPolarHBondContact CB-OE1 3.28Å; R233-E236 VanDerWaalsContact CD-OE1 3.3Å; R233-E236 WeakPolarHBondContact CD-OE1 3.45Å; R233-E236 VanDerWaalsContact N-CD 3.31Å; R233-E236 PolarHBondContact N-OE1 2.95Å; R233-E236 PolarHBondContact N-OE2 3.06Å; R233-E236 WeakPolarHBondContact O-CB 3.39Å; R233-E236 PolarHBondContact O-N 2.92Å
234W94.6Very high88.6Confident16 Ų1670.6 Ų70.66%0.06134%0.344CS..G310 helixtrans-56.1-24.8-17268.1-102.3000114.7V208 M211 Y212 I222 Q223 T226 Q237 F238V208-W234 HydrophobicContact CG1-CH2 4.04Å; M211-W234 HydrophobicContact CB-CH2 3.7Å; M211-W234 HydrophobicContact CB-CZ2 4.36Å; M211-W234 HydrophobicContact CE-CH2 4.16Å; M211-W234 HydrophobicContact CE-CZ3 3.9Å; Y212-W234 HydrophobicContact CD2-CZ2 4.32Å; I222-W234 HydrophobicContact CB-CD2 4.11Å; I222-W234 HydrophobicContact CB-CG 4.14Å; I222-W234 HydrophobicContact CD1-CZ2 3.9Å; I222-W234 HydrophobicContact CG2-CB 4.43Å; I222-W234 HydrophobicContact CG2-CD2 3.5Å; I222-W234 HydrophobicContact CG2-CE3 3.74Å; I222-W234 HydrophobicContact CG2-CG 3.82Å; I222-W234 HydrophobicContact CG2-CZ2 4.36Å; I222-W234 HydrophobicContact CG2-CZ3 4.3Å; Q223-W234 HydrophobicContact CB-CB 4.48Å; T226-W234 HydrophobicContact CG2-CB 3.52Å; W234-Q237 PolarHBondContact O-NE2 3.39Å; W234-F238 HydrophobicContact CE3-CD2 4.13Å; W234-F238 AromaticContact CE3-CE2 3.91Å; W234-F238 HydrophobicContact CE3-CE2 3.91Å; W234-F238 AromaticContact CZ3-CD2 3.9Å; W234-F238 HydrophobicContact CZ3-CD2 3.9Å; W234-F238 AromaticContact CZ3-CE2 3.86Å; W234-F238 HydrophobicContact CZ3-CE2 3.86Å
235W95.9Very high88.9Confident12 Ų1269 Ų695%0.04534%0.341CS..G310 helixtrans-84.4-14.8-179.861.490.5000115V208 Y212 R233 Q237 F238 V239 V242 V244 L247V208-W235 HydrophobicContact CG1-CB 3.4Å; V208-W235 HydrophobicContact CG1-CG 3.85Å; V208-W235 HydrophobicContact CG2-CB 4.28Å; Y212-W235 HydrophobicContact CD2-CE3 4.27Å; Y212-W235 HydrophobicContact CD2-CH2 4.32Å; Y212-W235 AromaticContact CD2-CZ3 3.79Å; Y212-W235 HydrophobicContact CD2-CZ3 3.79Å; Y212-W235 AromaticContact CE2-CH2 3.92Å; Y212-W235 HydrophobicContact CE2-CH2 3.92Å; Y212-W235 AromaticContact CE2-CZ3 3.68Å; Y212-W235 HydrophobicContact CE2-CZ3 3.68Å; R233-W235 HydrophobicContact CB-CD2 3.83Å; R233-W235 HydrophobicContact CB-CE3 3.88Å; R233-W235 HydrophobicContact CB-CH2 3.88Å; R233-W235 HydrophobicContact CB-CZ2 3.82Å; R233-W235 HydrophobicContact CB-CZ3 3.89Å; R233-W235 HydrophobicContact CG-CH2 3.79Å; R233-W235 HydrophobicContact CG-CZ2 3.8Å; R233-W235 HydrophobicContact CG-CZ3 4.23Å; R233-W235 PolarHBondContact O-N 3.03Å; W235-Q237 PolarHBondContact O-N 2.95Å; W235-Q237 VanDerWaalsContact O-N 3.1Å; W235-F238 WeakPolarHBondContact O-CA 3.4Å; W235-F238 WeakPolarHBondContact O-CB 3.34Å; W235-F238 PolarHBondContact O-N 3.1Å; W235-V239 HydrophobicContact CB-CG2 4.43Å; W235-V239 PolarHBondContact O-N 2.81Å; W235-V242 PolarHBondContact NE1-O 3.05Å; W235-V244 HydrophobicContact CH2-CB 4.02Å; W235-V244 HydrophobicContact CH2-CG2 3.86Å; W235-V244 HydrophobicContact CZ2-CB 3.94Å; W235-V244 HydrophobicContact CZ2-CG2 4.24Å; W235-L247 HydrophobicContact CD2-CD1 3.59Å; W235-L247 VanDerWaalsContact CE2-CD1 3.47Å; W235-L247 HydrophobicContact CE3-CD1 3.9Å; W235-L247 HydrophobicContact CG-CD1 4.1Å; W235-L247 HydrophobicContact CH2-CD1 3.98Å; W235-L247 HydrophobicContact CZ2-CD1 3.66Å; W235-L247 HydrophobicContact CZ3-CD1 4.11Å
236E94Very high89Confident52 Ų5269.6 Ų69.624%0.24335%0.345CS..G310 helixtrans-63.7-17.2178.9-66.8161.6178.900112.6Y231 R232 R233 F238 V239Y231-E236 HydrophobicContact CD1-CB 3.48Å; Y231-E236 VanDerWaalsContact CD1-CB 3.48Å; Y231-E236 HydrophobicContact CE1-CB 4.24Å; Y231-E236 WeakPolarHBondContact CE1-O 3.37Å; Y231-E236 HydrophobicContact CG-CB 4.08Å; R232-E236 WeakPolarHBondContact CA-OE2 3.37Å; R232-E236 PolarHBondContact N-OE2 3.17Å; R233-E236 HydrophobicContact CB-CG 4.01Å; R233-E236 WeakPolarHBondContact CB-OE1 3.28Å; R233-E236 VanDerWaalsContact CD-OE1 3.3Å; R233-E236 WeakPolarHBondContact CD-OE1 3.45Å; R233-E236 VanDerWaalsContact N-CD 3.31Å; R233-E236 PolarHBondContact N-OE1 2.95Å; R233-E236 PolarHBondContact N-OE2 3.06Å; R233-E236 WeakPolarHBondContact O-CB 3.39Å; R233-E236 PolarHBondContact O-N 2.92Å; E236-F238 VanDerWaalsContact C-N 3.28Å; E236-V239 WeakPolarHBondContact CA-O 3.45Å
237Q92.6Very high89.4Confident36 Ų3668.4 Ų68.417%0.16834%0.338CS..G310 helixtrans-77.9-10.5171.689.4-166.9-71.200113.8T226 Y231 W234 W235T226-Q237 VanDerWaalsContact CG2-NE2 3.26Å; Y231-Q237 HydrophobicContact CD2-CB 3.57Å; Y231-Q237 HydrophobicContact CE2-CB 3.41Å; Y231-Q237 VanDerWaalsContact CE2-CB 3.41Å; Y231-Q237 HydrophobicContact CG-CB 4.23Å; W234-Q237 PolarHBondContact O-NE2 3.39Å; W235-Q237 PolarHBondContact O-N 2.95Å; W235-Q237 VanDerWaalsContact O-N 3.1Å
238F95Very high90.4Very high27 Ų2767.1 Ų67.112%0.11833%0.326CS..THydrogen-bonded Turntrans-118.6-40.8-173.6-60.1-42.2000112.8Y167 Q170 L171 V208 W234 W235 E236Y167-F238 HydrophobicContact CD1-CB 3.74Å; Y167-F238 AromaticContact CD1-CD1 3.32Å; Y167-F238 HydrophobicContact CD1-CD1 3.32Å; Y167-F238 HydrophobicContact CD1-CD2 4.25Å; Y167-F238 AromaticContact CD1-CE1 3.94Å; Y167-F238 HydrophobicContact CD1-CE1 3.94Å; Y167-F238 AromaticContact CD1-CG 3.51Å; Y167-F238 HydrophobicContact CD1-CG 3.51Å; Y167-F238 HydrophobicContact CD2-CB 4.31Å; Y167-F238 HydrophobicContact CD2-CD2 4.47Å; Y167-F238 HydrophobicContact CD2-CG 4.32Å; Y167-F238 HydrophobicContact CE1-CB 3.62Å; Y167-F238 AromaticContact CE1-CD1 3.92Å; Y167-F238 HydrophobicContact CE1-CD1 3.92Å; Y167-F238 AromaticContact CE1-CG 3.94Å; Y167-F238 HydrophobicContact CE1-CG 3.94Å; Y167-F238 HydrophobicContact CE2-CB 4.21Å; Y167-F238 HydrophobicContact CG-CB 4.09Å; Y167-F238 AromaticContact CG-CD1 3.87Å; Y167-F238 HydrophobicContact CG-CD1 3.87Å; Y167-F238 HydrophobicContact CG-CD2 4Å; Y167-F238 HydrophobicContact CG-CE1 4.28Å; Y167-F238 HydrophobicContact CG-CE2 4.4Å; Y167-F238 AromaticContact CG-CG 3.73Å; Y167-F238 HydrophobicContact CG-CG 3.73Å; Q170-F238 HydrophobicContact CB-CE1 4.01Å; Q170-F238 HydrophobicContact CB-CZ 4.25Å; Q170-F238 HydrophobicContact CG-CE1 4.48Å; L171-F238 HydrophobicContact CD2-CE2 4.46Å; L171-F238 HydrophobicContact CD2-CZ 4.3Å; V208-F238 HydrophobicContact CG2-CB 4.33Å; W234-F238 HydrophobicContact CE3-CD2 4.13Å; W234-F238 AromaticContact CE3-CE2 3.91Å; W234-F238 HydrophobicContact CE3-CE2 3.91Å; W234-F238 AromaticContact CZ3-CD2 3.9Å; W234-F238 HydrophobicContact CZ3-CD2 3.9Å; W234-F238 AromaticContact CZ3-CE2 3.86Å; W234-F238 HydrophobicContact CZ3-CE2 3.86Å; W235-F238 WeakPolarHBondContact O-CA 3.4Å; W235-F238 WeakPolarHBondContact O-CB 3.34Å; W235-F238 PolarHBondContact O-N 3.1Å; E236-F238 VanDerWaalsContact C-N 3.28Å
239V94.8Very high91.7Very high14 Ų1464.5 Ų64.59%0.08532%0.317CS..SBendtrans-137.3136.1178.3-63.70000109.2E204 V208 W235 E236 V242E204-V239 HydrophobicContact CB-CG1 3.8Å; V208-V239 HydrophobicContact CB-CG2 4.47Å; V208-V239 HydrophobicContact CG1-CG2 4.42Å; V208-V239 HydrophobicContact CG2-CG1 4.11Å; V208-V239 HydrophobicContact CG2-CG2 3.94Å; W235-V239 HydrophobicContact CB-CG2 4.43Å; W235-V239 PolarHBondContact O-N 2.81Å; E236-V239 WeakPolarHBondContact CA-O 3.45Å; V239-V242 HydrophobicContact CB-CG2 3.95Å; V239-V242 HydrophobicContact CG2-CB 4.03Å; V239-V242 HydrophobicContact CG2-CG2 3.58Å
240Q91.5Very high93Very high144 Ų14458.3 Ų58.367%0.67328%0.277SS*.SBendtrans-90.5153-179.1-64.3179.810.700110.7V242Q240-V242 PolarHBondContact O-N 3.21Å
241D91.9Very high94.2Very high125 Ų12550 Ų5067%0.66824%0.236SC*.SBendtrans55.510.2171.7-55.2-30.6000118P243D241-P243 VanDerWaalsContact O-CD 3.25Å; D241-P243 WeakPolarHBondContact O-CD 3.31Å
242V95.7Very high95.2Very high14 Ų1449.1 Ų49.19%0.08524%0.235CC..  trans-75.8113.7175.8-178.40000111I205 W235 V239 Q240 V246 L247I205-V242 HydrophobicContact CD1-CG2 4.03Å; I205-V242 HydrophobicContact CG1-CG2 4.04Å; I205-V242 HydrophobicContact CG2-CG1 4.21Å; I205-V242 HydrophobicContact CG2-CG2 4.49Å; W235-V242 PolarHBondContact NE1-O 3.05Å; V239-V242 HydrophobicContact CB-CG2 3.95Å; V239-V242 HydrophobicContact CG2-CB 4.03Å; V239-V242 HydrophobicContact CG2-CG2 3.58Å; Q240-V242 PolarHBondContact O-N 3.21Å; V242-V246 HydrophobicContact CG1-CB 4.34Å; V242-V246 HydrophobicContact CG1-CG1 4.11Å; V242-L247 HydrophobicContact CG1-CD2 3.75Å; V242-L247 HydrophobicContact CG1-CG 4.18Å
243P96.2Very high95.8Very high33 Ų3342 Ų4221%0.21421%0.209CC..  trans-73.5156.3176.633-35.6000111.3D241 D245 V246D241-P243 VanDerWaalsContact O-CD 3.25Å; D241-P243 WeakPolarHBondContact O-CD 3.31Å; P243-D245 PolarHBondContact O-N 2.89Å; P243-V246 HydrophobicContact CG-CB 4.07Å; P243-V246 HydrophobicContact CG-CG2 3.67Å; P243-V246 PolarHBondContact O-N 2.98Å
244V96.7Very high96Very high31 Ų3138.4 Ų38.419%0.18820%0.195CC..Hα-helixtrans-61.5-31.5178.368.20000111.7Y212 W235 V246 L247 E248Y212-V244 HydrophobicContact CE2-CG2 4.22Å; W235-V244 HydrophobicContact CH2-CB 4.02Å; W235-V244 HydrophobicContact CH2-CG2 3.86Å; W235-V244 HydrophobicContact CZ2-CB 3.94Å; W235-V244 HydrophobicContact CZ2-CG2 4.24Å; V244-V246 VanDerWaalsContact C-N 3.27Å; V244-V246 PolarHBondContact O-N 3.45Å; V244-L247 WeakPolarHBondContact O-CA 3.44Å; V244-L247 WeakPolarHBondContact O-CB 3.33Å; V244-L247 PolarHBondContact O-N 2.94Å; V244-E248 HydrophobicContact CG2-CG 4.27Å; V244-E248 WeakPolarHBondContact O-CG 3.49Å; V244-E248 PolarHBondContact O-N 2.85Å
245D97.4Very high96.1Very high113 Ų11337.8 Ų37.860%0.60419%0.193SC*.Hα-helixtrans-64.4-31.3-178-43.7-92000112P243 D249P243-D245 PolarHBondContact O-N 2.89Å; D245-D249 VanDerWaalsContact O-CB 3.31Å; D245-D249 WeakPolarHBondContact O-CB 3.44Å; D245-D249 PolarHBondContact O-N 2.93Å
246V97.6Very high96.1Very high22 Ų2240.3 Ų40.313%0.13321%0.208CC..Hα-helixtrans-71.1-40.7171.1163.10000111W201 I205 V242 P243 V244 D249 I250W201-V246 HydrophobicContact CD2-CG1 4.09Å; W201-V246 HydrophobicContact CE3-CG1 4.12Å; W201-V246 HydrophobicContact CH2-CB 4.26Å; W201-V246 HydrophobicContact CH2-CG1 3.68Å; W201-V246 HydrophobicContact CH2-CG2 3.5Å; W201-V246 VanDerWaalsContact CH2-CG2 3.5Å; W201-V246 HydrophobicContact CZ2-CB 4.3Å; W201-V246 HydrophobicContact CZ2-CG1 3.62Å; W201-V246 HydrophobicContact CZ2-CG2 3.8Å; W201-V246 HydrophobicContact CZ3-CG1 3.92Å; W201-V246 HydrophobicContact CZ3-CG2 4.27Å; I205-V246 HydrophobicContact CG2-CG1 4.16Å; V242-V246 HydrophobicContact CG1-CB 4.34Å; V242-V246 HydrophobicContact CG1-CG1 4.11Å; P243-V246 HydrophobicContact CG-CB 4.07Å; P243-V246 HydrophobicContact CG-CG2 3.67Å; P243-V246 PolarHBondContact O-N 2.98Å; V244-V246 VanDerWaalsContact C-N 3.27Å; V244-V246 PolarHBondContact O-N 3.45Å; V246-D249 PolarHBondContact O-N 3.25Å; V246-I250 HydrophobicContact CG1-CD1 3.88Å; V246-I250 WeakPolarHBondContact O-CD1 3.18Å; V246-I250 WeakPolarHBondContact O-CG1 3.27Å; V246-I250 PolarHBondContact O-N 2.94Å
247L98.2Very high96Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-65.3-45.4176-56.1-172.2000111.2V208 A209 Y212 W235 V242 V244 D249 I250 C251V208-L247 HydrophobicContact CG1-CD1 3.85Å; V208-L247 HydrophobicContact CG1-CD2 3.78Å; A209-L247 HydrophobicContact CB-CD2 4Å; Y212-L247 HydrophobicContact CD1-CB 4.27Å; Y212-L247 HydrophobicContact CD2-CD1 3.84Å; Y212-L247 HydrophobicContact CE2-CD1 4.46Å; Y212-L247 HydrophobicContact CG-CB 4.24Å; Y212-L247 HydrophobicContact CG-CD1 4.09Å; W235-L247 HydrophobicContact CD2-CD1 3.59Å; W235-L247 VanDerWaalsContact CE2-CD1 3.47Å; W235-L247 HydrophobicContact CE3-CD1 3.9Å; W235-L247 HydrophobicContact CG-CD1 4.1Å; W235-L247 HydrophobicContact CH2-CD1 3.98Å; W235-L247 HydrophobicContact CZ2-CD1 3.66Å; W235-L247 HydrophobicContact CZ3-CD1 4.11Å; V242-L247 HydrophobicContact CG1-CD2 3.75Å; V242-L247 HydrophobicContact CG1-CG 4.18Å; V244-L247 WeakPolarHBondContact O-CA 3.44Å; V244-L247 WeakPolarHBondContact O-CB 3.33Å; V244-L247 PolarHBondContact O-N 2.94Å; L247-D249 VanDerWaalsContact C-N 3.34Å; L247-D249 PolarHBondContact O-N 3.17Å; L247-I250 PolarHBondContact O-N 3.4Å; L247-C251 WeakPolarHBondContact O-CB 3.21Å; L247-C251 PolarHBondContact O-N 2.95Å; L247-C251 PolarHBondContact O-SG 3.36Å
248E98Very high96Very high26 Ų2640.1 Ų40.112%0.12121%0.205CC..Hα-helixtrans-61.3-40.2175.6-69.2-70.2-179.400111.5Y212 R216 V244 C251 H252 M451Y212-E248 HydrophobicContact CE1-CG 4.38Å; Y212-E248 WeakPolarHBondContact CE1-OE1 3.38Å; Y212-E248 PolarHBondContact OH-OE1 3.29Å; R216-E248 IonicContact CZ-OE1 2.69Å; R216-E248 IonicContact NE-OE1 3.46Å; R216-E248 PolarHBondContact NE-OE1 3.49Å; R216-E248 IonicContact NH2-OE1 3.52Å; R216-E248 PolarHBondContact NH2-OE1 2.76Å; V244-E248 HydrophobicContact CG2-CG 4.27Å; V244-E248 WeakPolarHBondContact O-CG 3.49Å; V244-E248 PolarHBondContact O-N 2.85Å; E248-C251 WeakPolarHBondContact O-CB 3.45Å; E248-C251 PolarHBondContact O-N 3.28Å; E248-H252 PolarHBondContact O-N 3.22Å; E248-H252 PolarHBondContact O-ND1 2.72Å; E248-M451 WeakPolarHBondContact OE2-CE 3.38Å
249D97.9Very high95.4Very high48 Ų4840.7 Ų40.726%0.25721%0.213SC..Hα-helixtrans-63.2-46.3175.7-174.479.3000112.6K28 D245 V246 L247 C251 H252 Q253K28-D249 WeakPolarHBondContact CE-OD2 3.34Å; K28-D249 IonicContact NZ-OD1 3.45Å; K28-D249 PolarHBondContact NZ-OD1 3.44Å; K28-D249 IonicContact NZ-OD2 2.71Å; K28-D249 PolarHBondContact NZ-OD2 3.36Å; D245-D249 VanDerWaalsContact O-CB 3.31Å; D245-D249 WeakPolarHBondContact O-CB 3.44Å; D245-D249 PolarHBondContact O-N 2.93Å; V246-D249 PolarHBondContact O-N 3.25Å; L247-D249 VanDerWaalsContact C-N 3.34Å; L247-D249 PolarHBondContact O-N 3.17Å; D249-C251 VanDerWaalsContact C-N 3.26Å; D249-C251 PolarHBondContact O-N 3.43Å; D249-H252 PolarHBondContact O-N 3.38Å; D249-H252 VanDerWaalsContact O-N 3.16Å; D249-Q253 WeakPolarHBondContact O-CG 3.48Å; D249-Q253 PolarHBondContact O-N 3.19Å; D249-Q253 PolarHBondContact OD2-NE2 3.13Å
250I98.4Very high94.1Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-59.7-40.8175-64.7164.2000110.3L197 W201 I205 A209 V246 L247 Q253 I254L197-I250 HydrophobicContact CD1-CG2 3.85Å; L197-I250 HydrophobicContact CD2-CB 4.15Å; L197-I250 HydrophobicContact CD2-CG1 3.84Å; L197-I250 HydrophobicContact CD2-CG2 3.89Å; W201-I250 HydrophobicContact CB-CD1 4.49Å; W201-I250 HydrophobicContact CD2-CD1 4.32Å; W201-I250 HydrophobicContact CG-CD1 3.89Å; W201-I250 HydrophobicContact CG-CG1 4.33Å; I205-I250 HydrophobicContact CG2-CD1 3.81Å; A209-I250 HydrophobicContact CB-CB 3.74Å; A209-I250 HydrophobicContact CB-CD1 3.84Å; A209-I250 HydrophobicContact CB-CG1 4.41Å; A209-I250 HydrophobicContact CB-CG2 3.42Å; A209-I250 VanDerWaalsContact CB-CG2 3.42Å; V246-I250 HydrophobicContact CG1-CD1 3.88Å; V246-I250 WeakPolarHBondContact O-CD1 3.18Å; V246-I250 WeakPolarHBondContact O-CG1 3.27Å; V246-I250 PolarHBondContact O-N 2.94Å; L247-I250 PolarHBondContact O-N 3.4Å; I250-Q253 PolarHBondContact O-N 3.45Å; I250-I254 HydrophobicContact CG2-CD1 4.14Å; I250-I254 WeakPolarHBondContact O-CG1 3.39Å; I250-I254 PolarHBondContact O-N 2.97Å; I250-I254 VanDerWaalsContact O-N 3.08Å
251C98.3Very high92.4Very high2 Ų238.6 Ų38.61%0.01421%0.212CC..Hα-helixtrans-61.2-43.8175.3-68.70000112.1L213 L247 E248 D249 I254 L255 M451L213-C251 HydrophobicContact CD1-CB 4.08Å; L247-C251 WeakPolarHBondContact O-CB 3.21Å; L247-C251 PolarHBondContact O-N 2.95Å; L247-C251 PolarHBondContact O-SG 3.36Å; E248-C251 WeakPolarHBondContact O-CB 3.45Å; E248-C251 PolarHBondContact O-N 3.28Å; D249-C251 VanDerWaalsContact C-N 3.26Å; D249-C251 PolarHBondContact O-N 3.43Å; C251-I254 PolarHBondContact O-N 2.85Å; C251-L255 VanDerWaalsContact O-CB 3.32Å; C251-L255 WeakPolarHBondContact O-CB 3.35Å; C251-L255 VanDerWaalsContact O-CG 3.31Å; C251-L255 WeakPolarHBondContact O-CG 3.4Å; C251-L255 PolarHBondContact O-N 3.26Å; C251-M451 HydrophobicContact CB-CE 3.34Å; C251-M451 HydrophobicContact CB-SD 4.41Å
252H97.4Very high89.8Confident59 Ų5939.2 Ų39.227%0.27321%0.209SC..Hα-helixtrans-62.7-44.6175.3-73.899.2000111.8E248 D249 I254 L255 D256E248-H252 PolarHBondContact O-N 3.22Å; E248-H252 PolarHBondContact O-ND1 2.72Å; D249-H252 PolarHBondContact O-N 3.38Å; D249-H252 VanDerWaalsContact O-N 3.16Å; H252-I254 VanDerWaalsContact C-N 3.32Å; H252-I254 PolarHBondContact O-N 2.87Å; H252-L255 PolarHBondContact O-N 3.26Å; H252-L255 VanDerWaalsContact O-N 3.16Å; H252-D256 PolarHBondContact O-N 3.47Å
253Q97Very high87.3Confident32 Ų3246.4 Ų46.415%0.1524%0.242CC..Hα-helixtrans-59.9-37.9177.9-69.8-169.456.700112.9L197 D249 I250L197-Q253 HydrophobicContact CD1-CB 4.21Å; L197-Q253 HydrophobicContact CD2-CB 4.2Å; L197-Q253 HydrophobicContact CD2-CG 4.47Å; L197-Q253 HydrophobicContact CG-CB 4.27Å; D249-Q253 WeakPolarHBondContact O-CG 3.48Å; D249-Q253 PolarHBondContact O-N 3.19Å; D249-Q253 PolarHBondContact OD2-NE2 3.13Å; I250-Q253 PolarHBondContact O-N 3.45Å
254I97.5Very high84.2Confident0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-70.3-45.1174.1-66.2171.9000110.6F188 D191 L197 V210 L213 I250 C251 H252 D256 L257F188-I254 HydrophobicContact CB-CD1 4.39Å; F188-I254 HydrophobicContact CB-CG2 4.26Å; F188-I254 HydrophobicContact CD1-CG2 4.08Å; F188-I254 HydrophobicContact CG-CG2 4.44Å; D191-I254 HydrophobicContact CB-CG2 4.12Å; L197-I254 HydrophobicContact CD1-CD1 4.1Å; L197-I254 HydrophobicContact CD1-CG1 3.61Å; V210-I254 HydrophobicContact CG1-CD1 3.82Å; L213-I254 HydrophobicContact CD2-CB 4.29Å; L213-I254 HydrophobicContact CD2-CG2 3.96Å; I250-I254 HydrophobicContact CG2-CD1 4.14Å; I250-I254 WeakPolarHBondContact O-CG1 3.39Å; I250-I254 PolarHBondContact O-N 2.97Å; I250-I254 VanDerWaalsContact O-N 3.08Å; C251-I254 PolarHBondContact O-N 2.85Å; H252-I254 VanDerWaalsContact C-N 3.32Å; H252-I254 PolarHBondContact O-N 2.87Å; I254-D256 VanDerWaalsContact C-N 3.34Å; I254-D256 PolarHBondContact O-N 2.84Å; I254-L257 WeakPolarHBondContact O-CB 3.49Å; I254-L257 WeakPolarHBondContact O-CG 3.21Å; I254-L257 PolarHBondContact O-N 2.88Å
255L96.8Very high80.7Confident4 Ų456.2 Ų56.22%0.02128%0.284CS..Hα-helixtrans-66.2-31.9-177.2-78.9179000113.3L213 C251 H252 L257 Y258 S259 Y444 L447 M451L213-L255 HydrophobicContact CD1-CD1 4.04Å; L213-L255 HydrophobicContact CD1-CD2 4.49Å; L213-L255 HydrophobicContact CD1-CG 4.23Å; C251-L255 VanDerWaalsContact O-CB 3.32Å; C251-L255 WeakPolarHBondContact O-CB 3.35Å; C251-L255 VanDerWaalsContact O-CG 3.31Å; C251-L255 WeakPolarHBondContact O-CG 3.4Å; C251-L255 PolarHBondContact O-N 3.26Å; H252-L255 PolarHBondContact O-N 3.26Å; H252-L255 VanDerWaalsContact O-N 3.16Å; L255-L257 PolarHBondContact O-N 3.47Å; L255-L257 VanDerWaalsContact O-N 3.09Å; L255-Y258 HydrophobicContact CD2-CD2 4.49Å; L255-Y258 WeakPolarHBondContact O-CB 3.48Å; L255-Y258 PolarHBondContact O-N 2.9Å; L255-S259 PolarHBondContact O-N 3.49Å; L255-Y444 HydrophobicContact CB-CE2 3.99Å; L255-Y444 WeakPolarHBondContact O-CE2 3.46Å; L255-L447 HydrophobicContact CD2-CD1 4.16Å; L255-M451 HydrophobicContact CD1-CE 4.24Å; L255-M451 HydrophobicContact CD1-SD 3.26Å; L255-M451 WeakPolarHBondContact CD1-SD 3.37Å
256D94.5Very high77.5Confident65 Ų6555.2 Ų55.235%0.34828%0.284SS..Hα-helixtrans-58.7-24.3177.7-84.2-13.7000114.1H252 I254 Y258 S259 Q260 Y444H252-D256 PolarHBondContact O-N 3.47Å; I254-D256 VanDerWaalsContact C-N 3.34Å; I254-D256 PolarHBondContact O-N 2.84Å; D256-Y258 VanDerWaalsContact C-N 3.26Å; D256-Y258 PolarHBondContact O-N 3.11Å; D256-S259 WeakPolarHBondContact O-CB 3.2Å; D256-S259 PolarHBondContact O-N 3.47Å; D256-Q260 WeakPolarHBondContact O-CG 3.17Å; D256-Q260 PolarHBondContact O-N 3.06Å; D256-Q260 VanDerWaalsContact O-N 3.11Å; D256-Y444 PolarHBondContact OD1-OH 3.25Å
257L93.2Very high74.3Confident20 Ų2061.5 Ų61.511%0.10531%0.312CS..Hα-helixtrans-60-35.8171.4-60.3173.5000112.4R51 D191 C194 T195 I254 L255R51-L257 VanDerWaalsContact CD-CD2 3.45Å; R51-L257 HydrophobicContact CG-CD2 4.17Å; D191-L257 HydrophobicContact CB-CD1 3.87Å; D191-L257 VanDerWaalsContact O-CD1 3.27Å; D191-L257 WeakPolarHBondContact O-CD1 3.43Å; C194-L257 HydrophobicContact CB-CD1 4.32Å; C194-L257 HydrophobicContact CB-CD2 4.44Å; T195-L257 HydrophobicContact CG2-CD1 3.83Å; T195-L257 HydrophobicContact CG2-CD2 4.17Å; T195-L257 HydrophobicContact CG2-CG 4.17Å; I254-L257 WeakPolarHBondContact O-CB 3.49Å; I254-L257 WeakPolarHBondContact O-CG 3.21Å; I254-L257 PolarHBondContact O-N 2.88Å; L255-L257 PolarHBondContact O-N 3.47Å; L255-L257 VanDerWaalsContact O-N 3.09Å
258Y92.1Very high71.3Confident63 Ų6369.6 Ų69.625%0.24735%0.349CS..Hα-helixtrans-81.5-24.1177.8-64.7-91.8000112.7F188 D191 L255 D256F188-Y258 HydrophobicContact CE1-CE2 4.49Å; D191-Y258 PolarHBondContact OD2-OH 3.34Å; L255-Y258 HydrophobicContact CD2-CD2 4.49Å; L255-Y258 WeakPolarHBondContact O-CB 3.48Å; L255-Y258 PolarHBondContact O-N 2.9Å; D256-Y258 VanDerWaalsContact C-N 3.26Å; D256-Y258 PolarHBondContact O-N 3.11Å
259S83.1Confident68.1Low40 Ų4073 Ų7328%0.2837%0.372SS..Hα-helixtrans-68.2-54.6173.4-159.90000111.5L255 D256 G261 K262 Y444L255-S259 PolarHBondContact O-N 3.49Å; D256-S259 WeakPolarHBondContact O-CB 3.2Å; D256-S259 PolarHBondContact O-N 3.47Å; S259-G261 VanDerWaalsContact C-N 3.26Å; S259-G261 PolarHBondContact O-N 3.49Å; S259-K262 PolarHBondContact O-N 3.06Å; S259-Y444 VanDerWaalsContact CB-CZ 3.45Å; S259-Y444 WeakPolarHBondContact CB-OH 3.32Å; S259-Y444 WeakPolarHBondContact OG-CE1 3.45Å
260Q66.3Low65Low74 Ų7476.7 Ų76.735%0.34640%0.398SS..Hα-helixtrans-69.2-23.9-169.1-65.7174.732.900112.7D256 K262 Q263D256-Q260 WeakPolarHBondContact O-CG 3.17Å; D256-Q260 PolarHBondContact O-N 3.06Å; D256-Q260 VanDerWaalsContact O-N 3.11Å; Q260-K262 PolarHBondContact O-N 3.23Å; Q260-K262 VanDerWaalsContact O-N 3.13Å; Q260-Q263 PolarHBondContact O-N 2.71Å; Q260-Q263 VanDerWaalsContact O-N 3.12Å
261G56.8Low62.2Low39 Ų3984 Ų8440%0.40243%0.432SS..THydrogen-bonded Turntrans-60-18.9175.900000115S259S259-G261 VanDerWaalsContact C-N 3.26Å; S259-G261 PolarHBondContact O-N 3.49Å
262K37.7Very low59.2Low139 Ų13991.2 Ų91.260%0.60447%0.465SS*.THydrogen-bonded Turntrans-81.3-16.2175.5-85.9-171.8163.8-173.70114.9S259 Q260 G441S259-K262 PolarHBondContact O-N 3.06Å; Q260-K262 PolarHBondContact O-N 3.23Å; Q260-K262 VanDerWaalsContact O-N 3.13Å; K262-G441 PolarHBondContact NZ-O 3.03Å
263Q41.4Very low56.3Low165 Ų16596.8 Ų96.877%0.77150%0.497SS*.SBendtrans-98-4.9-170.1-69-176.9-15.400114.5Q260Q260-Q263 PolarHBondContact O-N 2.71Å; Q260-Q263 VanDerWaalsContact O-N 3.12Å
264Q32.1Very low53.5Low135 Ų135102.7 Ų102.763%0.63152%0.524SS*.  trans-105.852.9-176.3-66.1-168.9-15.900113.5
265M24.1Very low50.5Low134 Ų134110.5 Ų110.566%0.6656%0.561SS**  trans-140.983.3160.9-84.8-59.8-64.200111.2H267M265-H267 WeakPolarHBondContact CE-ND1 3.45Å; M265-H267 PolarHBondContact O-N 3.34Å; M265-H267 VanDerWaalsContact O-N 3.1Å
266P28.5Very low47.8Very low92 Ų92115.6 Ų115.660%0.59759%0.594SS**  trans-66.9102.6153.7-3.220.6000107H268P266-H268 VanDerWaalsContact C-N 3.27Å; P266-H268 PolarHBondContact O-N 2.67Å
267H31.3Very low45.5Very low155 Ų155118.6 Ų118.672%0.71862%0.617SS**  trans-67.295162.2-93.8-25.5000108M265 T269M265-H267 WeakPolarHBondContact CE-ND1 3.45Å; M265-H267 PolarHBondContact O-N 3.34Å; M265-H267 VanDerWaalsContact O-N 3.1Å; H267-T269 PolarHBondContact O-N 2.95Å
268H35.1Very low43Very low170 Ų170122.5 Ų122.579%0.78765%0.646SS**  trans-65.184.2159.8-63.3-71.2000108P266 P270P266-H268 VanDerWaalsContact C-N 3.27Å; P266-H268 PolarHBondContact O-N 2.67Å; H268-P270 VanDerWaalsContact O-CD 3.32Å; H268-P270 WeakPolarHBondContact O-CD 3.32Å
269T31.5Very low40.5Very low97 Ų97128 Ų12860%0.59568%0.678SS**  trans-61.6120.4170.224.90000108.7H267 H271H267-T269 PolarHBondContact O-N 2.95Å; T269-H271 PolarHBondContact O-N 3.46Å
270P31.6Very low38.6Very low125 Ų125134.9 Ų134.981%0.81271%0.706SS**  trans-77.568.8173.733-34.2000109.2H268H268-P270 VanDerWaalsContact O-CD 3.32Å; H268-P270 WeakPolarHBondContact O-CD 3.32Å
271H39.2Very low37.3Very low154 Ų154137 Ų13771%0.71373%0.727SS**  trans-122.4127.2179.6-78.9-14.7000110.8T269T269-H271 PolarHBondContact O-N 3.46Å
272Q35.6Very low36.2Very low153 Ų153141.6 Ų141.672%0.71575%0.747SS**  trans58.170.4-178.4-56.9-167.123.800115.3Q274Q272-Q274 HydrophobicContact CB-CG 4.04Å; Q272-Q274 PolarHBondContact O-N 2.96Å
273L37.1Very low36.2Very low177 Ų177140.2 Ų140.293%0.92775%0.752SS**  -57.198.3125.8-82.2168.1000106.9Q275L273-Q275 PolarHBondContact O-N 3.48Å
274Q38.3Very low36.2Very low156 Ų156140.7 Ų140.773%0.72975%0.754SS**PPolyproline II helixtrans-66.1128.8172-71.2-173.3-14.800108.4Q272Q272-Q274 HydrophobicContact CB-CG 4.04Å; Q272-Q274 PolarHBondContact O-N 2.96Å
275Q34.5Very low36.3Very low164 Ų164140.9 Ų140.977%0.76677%0.765SS**PPolyproline II helixtrans-64.1144.6179.2-66.5172.9-14.100109.5L273L273-Q275 PolarHBondContact O-N 3.48Å
276P39.6Very low37Very low110 Ų110139.6 Ų139.671%0.71477%0.766SS**PPolyproline II helixtrans-58.1139.5165.127.4-33.8000108.5S278P276-S278 PolarHBondContact O-N 3.4Å
277P47Very low37.5Very low129 Ų129144 Ų14484%0.83878%0.779SS**PPolyproline II helixtrans-56.3116.2-178.5-27.335.4000111.7L279P277-L279 PolarHBondContact O-N 2.85Å
278S40.2Very low38Very low101 Ų101142.2 Ų142.271%0.70678%0.778SS**PPolyproline II helixtrans-63.7124.1177.4-65.70000110.3P276 Q280P276-S278 PolarHBondContact O-N 3.4Å; S278-Q280 PolarHBondContact O-N 3.34Å; S278-Q280 VanDerWaalsContact O-N 3.13Å
279L39.1Very low38.2Very low178 Ų178141.8 Ų141.893%0.93278%0.777SS**  trans-58.2114.3178.8-68.6166.1000110.5P277P277-L279 PolarHBondContact O-N 2.85Å
280Q44.2Very low38.7Very low185 Ų185145.3 Ų145.386%0.86479%0.786SS**  trans-77.6145.4172.4-70.7-175.8-18.600110.7S278S278-Q280 PolarHBondContact O-N 3.34Å; S278-Q280 VanDerWaalsContact O-N 3.13Å
281P39.1Very low39.2Very low120 Ų120143.6 Ų143.678%0.77978%0.778SS**  trans-68.2150.9174.2-19.833.3000113.9
282T32.8Very low39.4Very low135 Ų135145.2 Ų145.283%0.82879%0.785SS**  trans-30.8150.816319.20000116.2
283P38.8Very low39.7Very low110 Ų110143.8 Ų143.871%0.71479%0.789SS**  -154.6-178.269.745.1-25.7000119.2
284Q39.7Very low39.9Very low175 Ų175141.1 Ų141.182%0.81879%0.785SS**  trans8177.9160.2-63.5177.93.100121.1
285V35.5Very low40.2Very low139 Ų139142.8 Ų142.884%0.84279%0.793SS**  13.9127.6114.1-176.30000115.8
286P39.2Very low40.6Very low106 Ų106140.5 Ų140.569%0.68880%0.795SS**  -154.114271.738.5-17.4000121.2
287Q38.8Very low40.8Very low186 Ų186140.5 Ų140.587%0.86980%0.798SS**  trans62.5157.5146-59.2178.3-13.600117.5
288V40.4Very low40.6Very low117 Ų117143.6 Ų143.671%0.70980%0.801SS**  cis-142.3157.530.1167.40000112
289Q40.4Very low40.9Very low161 Ų161144 Ų14475%0.75280%0.802SS**  trans-10.7153.4160.5-62.4153.9-13.400118.8
290Q42.4Very low41.1Very low170 Ų170140.7 Ų140.779%0.79479%0.793SS**  cis-166.3-173.211.1-123.6169.619.300109
291S41.3Very low41.2Very low90 Ų90140.5 Ų140.563%0.62979%0.792SS**  cis-160.9143.6-1.144.50000112.7
292Q43Very low41.5Very low187 Ų187139.9 Ų139.987%0.87479%0.788SS**  trans49.2127.3142.6-66.8-178.8-35.900124.5
293P41.9Very low41.9Very low123 Ų123141.7 Ų141.780%0.79979%0.787SS**  trans-122.417016041.4-30.2000114.9
294S42.1Very low42.2Very low121 Ų121143.8 Ų143.885%0.84679%0.787SS**  trans-149136.2166.7-58.20000108.6
295Q44.5Very low42.3Very low192 Ų192144.1 Ų144.190%0.89779%0.786SS**  cis104.295.230.3-82.4-154.74.100114.9
296S42.6Very low42.7Very low115 Ų115144.6 Ų144.680%0.80478%0.784SS**  trans179.5134151.356.40000110.1
297S44Very low43.2Very low110 Ų110144.4 Ų144.477%0.76978%0.783SS**  cis104.298.8-0.183.10000118.8
298E41.9Very low43.5Very low195 Ų195144.5 Ų144.591%0.91178%0.783SS**  -177.8159.9125.2-103.3-168.688.700114.3
299P47.8Very low43.5Very low110 Ų110147.6 Ų147.671%0.71479%0.79SS**  trans-132.2156.1-17841.7-26.8000117.5
300S42Very low44Very low107 Ų107145.4 Ų145.475%0.74879%0.79SS**  trans173.4166.3156.1-90.60000112.5
301Q47.2Very low44.1Very low181 Ų181141 Ų14185%0.84678%0.782SS**  cis-161.8169.5-31.8-109-176.996.100109.5
302P44.6Very low44.3Very low108 Ų108145.2 Ų145.270%0.70179%0.792SS**  trans-115.5167.7-163.242-35.2000117.2
303Q41.8Very low44.3Very low173 Ų173144.4 Ų144.481%0.80879%0.788SS**  trans-179.9139.7140.8-103.6170.424.400116.3
304Q45.3Very low44.4Very low153 Ų153145.9 Ų145.972%0.71579%0.785SS**  trans54.7144.4144.8-65.1178.55.900121.1
305K41.9Very low44.5Very low183 Ų183148.1 Ų148.180%0.79678%0.781SS**  cis-167.2164.643.6-136.9159.2-165.7172.10114.6
306D43.7Very low44.5Very low148 Ų148145 Ų14579%0.79178%0.778SS**  trans-64.5179.3174.6-71.8-85.1000116.3
307P50Low44.5Very low102 Ų102143.6 Ų143.666%0.66277%0.774SS**  cis-154.4177.626.145.8-23.9000123.3
308Q44.5Very low44.5Very low188 Ų188147.3 Ų147.388%0.87978%0.779SS**  trans96.3166.5139.5-90.7159.1-15.200123.9
309Q40.7Very low44.4Very low182 Ų182146.7 Ų146.785%0.8578%0.776SS**  trans-156.3-177.7-147.6-117-173.116.400109.8
310P51.6Low44.2Very low116 Ų116146.2 Ų146.275%0.75377%0.773SS**  cis-124.3-133.9-7.528.1-1.2000110.7
311A44.7Very low44.2Very low76 Ų76151.4 Ų151.463%0.62878%0.782SS**  cis-162.8145.60.200000115.9
312Q44.9Very low43.9Very low180 Ų180152.2 Ų152.284%0.84178%0.783SS**  trans49.1113137.6-58.3-177.37.400124.7
313Q43.1Very low43.8Very low169 Ų169152 Ų15279%0.7978%0.781SS**  -173.6121.2103.8-9617514.400110
314Q43.6Very low43.9Very low155 Ų155149.2 Ų149.272%0.72478%0.781SS**  65.8134.7102.5-63.1-171.916.900115.9
315Q44.3Very low43.8Very low167 Ų167147.6 Ų147.678%0.7878%0.784SS**  cis-156.6158.41.3-121.3176.326.600112.1
316P44.4Very low44Very low126 Ų126148.1 Ų148.182%0.81879%0.789SS**  trans-128.7156.6-174.341.7-28.3000117.6
317A41.9Very low43.9Very low87 Ų87147.1 Ų147.172%0.71979%0.79SS**  trans-178.7152.9156.400000110.5
318Q44Very low43.8Very low188 Ų188148.2 Ų148.288%0.87980%0.801SS**  cis-157.2167.1-13.3-107.9171.151.600109.3
319Q39.5Very low43.8Very low182 Ų182144.8 Ų144.885%0.8580%0.797SS**  trans-134.7-170.1178.7-74.7-166.3-2.300110.1
320P45.5Very low44Very low100 Ų100141.3 Ų141.365%0.64979%0.79SS**  -130.2-178.3-63.838.6-24.2000112.4
321K41.7Very low43.5Very low215 Ų215146 Ų14694%0.93579%0.793SS**  trans-173.3165.4137.6-101.1148.6-169.4175.30115
322K40.9Very low43.4Very low199 Ų199150.1 Ų150.187%0.86580%0.799SS**  trans-100.3179.6-172.4-96-177.5178.5-179.70111.7
323P41.1Very low43.2Very low103 Ų103146.5 Ų146.567%0.66979%0.789SS**  cis-142.2-177.7-30.338.9-20.7000115.7
324S44.2Very low43.1Very low114 Ų114147 Ų14780%0.79779%0.789SS**  trans80.2156.5147.8-68.30000121.7
325P43.9Very low42.9Very low120 Ų120151.1 Ų151.178%0.77980%0.798SS**  trans-134.2163.4-154.341.9-24.6000117.7
326Q44.8Very low42.6Very low194 Ų194146.9 Ų146.991%0.90779%0.792SS**  trans-160.5154.7143.9-115.2-179.9-3.400111.3
327P41.8Very low42.5Very low126 Ų126147.6 Ų147.682%0.81879%0.793SS**  trans-109.3144.1-172.738.1-29.7000114.8
328S49.1Very low42.4Very low126 Ų126149.1 Ų149.188%0.88179%0.793SS**  trans-150.7133.5163.460.30000112
329S44.9Very low42.4Very low116 Ų116145.7 Ų145.781%0.81179%0.785SS**  trans-123.6173.4174.1-123.90000108.8
330P44.3Very low42.6Very low108 Ų108142.8 Ų142.870%0.70178%0.784SS**  cis-139.1-171.9-10.232.6-10.9000114.8
331R40.1Very low42.5Very low214 Ų214143.4 Ų143.481%0.80879%0.789SS**  trans98.2141.4134.5-139.5-174.1-168.5-156.74.3119.5
332Q42.8Very low42.4Very low164 Ų164141 Ų14177%0.76678%0.778SS**  trans82.2145.5162.7-51.6-160.37900117.2
333V42.3Very low42.4Very low103 Ų103138 Ų13862%0.62477%0.767SS**  cis-161.5137.8-10.8120.70000113.1
334K40.4Very low42.2Very low180 Ų180140.3 Ų140.378%0.78377%0.769SS**  trans47.7147.5150.1-58172.3-175.31720124.7
335R38.5Very low42Very low241 Ų241141.6 Ų141.691%0.90977%0.767SS**  trans78.6154.5152.5-76.1168.3172167.5-5.5119
336A38Very low42Very low79 Ų79145.6 Ų145.665%0.65377%0.772SS**  cis176.6176.5-33.400000109.8
337V43.3Very low42.1Very low141 Ų141141 Ų14186%0.85577%0.768SS**  trans75.6138.3161.4176.10000114.7
338V39.9Very low42Very low118 Ų118140 Ų14072%0.71577%0.77SS**  cis-149.9132.60.2102.20000109.4
339V43.3Very low42Very low117 Ų117142.7 Ų142.771%0.70977%0.768SS**  65121.998.6-178.80000119
340S44.8Very low42.6Very low120 Ų120142.6 Ų142.684%0.83977%0.765SS**  -167.6147.9127.1-79.80000112.8
341P41.8Very low43.3Very low114 Ų114142.9 Ų142.974%0.7477%0.767SS**  trans-135.5166.4-169.743.3-28.2000117.7
342K41.1Very low44.2Very low163 Ų163138.3 Ų138.371%0.70977%0.765SS**  177.9144.4129.6-108.1175.7166.1-1000114.5
343E39.7Very low44.8Very low137 Ų137136.3 Ų136.364%0.6477%0.766SS**  trans44.6153.5144.4-72.3143.1-165.600122
344E37.5Very low44.7Very low151 Ų151141.2 Ų141.271%0.70678%0.779SS**  cis-148.6172.99.4-147.7179.693.100112.8
345N39.9Very low45Very low141 Ų141140.2 Ų140.275%0.75478%0.78SS**  trans60.8113.5163.4-72.1-52.2000121
346K42.9Very low45.2Very low204 Ų204133.6 Ų133.689%0.88777%0.769SS**  trans-154.6127.8154.5-162.2-179.7179.7179.90111.9
347A47Very low45Very low98 Ų98139.8 Ų139.881%0.8178%0.781SS**  trans-73.1146.8167.600000110.9
348A40.7Very low44.8Very low104 Ų104139.9 Ų139.986%0.8678%0.775SS**  trans-116.3132.5-167.500000113.7
349E48.8Very low44.5Very low184 Ų184142.9 Ų142.986%0.8678%0.781SS**  trans-111.3134.9164.5-170.3-178.8153.700108
350P58.6Low44.2Very low113 Ų113143 Ų14373%0.73478%0.782SS**PPolyproline II helixtrans-81.1145.4-168.431-35.4000113.6
351P57.5Low44Very low114 Ų114143 Ų14374%0.7478%0.777SS**PPolyproline II helixtrans-73.9153.6173.332.2-35.4000111.9
352P60.1Low43.9Very low119 Ų119146.4 Ų146.477%0.77378%0.783SS**PPolyproline II helixtrans-64147.7177.726.4-34.6000112.3
353P55Low44.5Very low121 Ų121143.9 Ų143.979%0.78678%0.784SS**PPolyproline II helixtrans-72.7144.9-168.928.6-35.7000113.5I355P353-I355 PolarHBondContact O-N 3.24Å
354K40.7Very low44.7Very low207 Ų207143.2 Ų143.290%0.979%0.791SS**PPolyproline II helixtrans-77.3118.9169.7-65.2175.6-178173.70109.3
355I46.6Very low45.1Very low158 Ų158144.1 Ų144.181%0.8180%0.8SS**PPolyproline II helixtrans-68.8134174.7-60.2175.9000109.1P353P353-I355 PolarHBondContact O-N 3.24Å
356P41.5Very low45.9Very low102 Ų102142.8 Ų142.866%0.66280%0.799SS**PPolyproline II helixtrans-64.7155.1-179.6-22.934.2000113.9I358P356-I358 PolarHBondContact O-N 3.32Å
357K34.3Very low46.2Very low209 Ų209138.3 Ų138.391%0.90979%0.791SS**PPolyproline II helixtrans-63.3121.6156.5-82.1-175.1170.8-173.40108.3
358I40.2Very low45.9Very low144 Ų144138.4 Ų138.474%0.73879%0.792SS**PPolyproline II helixtrans-96.9119.3163.5-64.1178000107.2P356P356-I358 PolarHBondContact O-N 3.32Å
359E33.1Very low46.2Very low181 Ų181141.4 Ų141.485%0.84679%0.787SS**  trans-95.590.1178.9-173.5169.2168.200108.3T361E359-T361 PolarHBondContact O-N 2.81Å
360T37.3Very low46.6Very low119 Ų119138 Ų13873%0.7378%0.781SS**  trans-80.898.6-174.2-45.40000110.9
361T38.9Very low46.4Very low119 Ų119138.2 Ų138.273%0.7378%0.783SS**PPolyproline II helixtrans-64.5140.2170.834.40000111.8E359 P363E359-T361 PolarHBondContact O-N 2.81Å; T361-P363 WeakPolarHBondContact O-CD 3.43Å
362H41.3Very low46Very low186 Ų186138.8 Ų138.886%0.86179%0.786SS**PPolyproline II helixtrans-74.4126.7179.1-79.7-98.3000112
363P53.3Low45.1Very low111 Ų111140.5 Ų140.572%0.72179%0.789SS**PPolyproline II helixtrans-77.5147.6154.732.9-32000110.3T361T361-P363 WeakPolarHBondContact O-CD 3.43Å
364P43.1Very low44.5Very low123 Ų123146.5 Ų146.580%0.79980%0.796SS**PPolyproline II helixtrans-77.2153-178.131.3-35.4000113.1
365L45.9Very low44.6Very low169 Ų169145.9 Ų145.989%0.88579%0.793SS**PPolyproline II helixtrans-73.9131.9173.7-72.8161.7000111.1
366P57.9Low44.2Very low114 Ų114144 Ų14474%0.7479%0.792SS**PPolyproline II helixtrans-73.8148.1166.231.4-33.5000110.8
367P47.9Very low44.3Very low109 Ų109145.2 Ų145.271%0.70880%0.799SS**PPolyproline II helixtrans-72.3148.2179.930.4-35.3000112.3
368A40.2Very low44.6Very low101 Ų101143.7 Ų143.784%0.83580%0.8SS**PPolyproline II helixtrans-79.6130.3177.500000111.7
369H48.8Very low44.4Very low166 Ų166141.5 Ų141.577%0.76980%0.803SS**PPolyproline II helixtrans-102.1137.6167.4-74.9-91.3000110.3
370P55.3Low44.6Very low113 Ų113137.7 Ų137.773%0.73480%0.803SS**PPolyproline II helixtrans-75.2154.1175.531.8-35000111.9
371P54.8Low44.7Very low118 Ų118136 Ų13677%0.76680%0.801SS**PPolyproline II helixtrans-72.7143.7175.331.2-34.7000111.6
372P50.6Low44.9Very low125 Ų125139 Ų13981%0.81281%0.812SS**PPolyproline II helixtrans-82.5139.8179.132.1-34.3000113
373D39.5Very low44.7Very low156 Ų156133 Ų13383%0.83480%0.8SS**PPolyproline II helixtrans-60.7144.9171.7-82.7-72.4000113.6
374R44.2Very low44Very low247 Ų247137.5 Ų137.593%0.93281%0.811SS**  trans-136113.1158.1-85.9-169.8167.1-171.8-4.2111.1
375K41.7Very low43.8Very low193 Ų193136.4 Ų136.484%0.83981%0.812SS**  trans-81.4145.7169.1-67.2177.7177.8176.50110.8
376P38.8Very low43.5Very low119 Ų119137.2 Ų137.277%0.77381%0.812SS**  trans-90.4157.3168.936.5-34000112.3
377P43.8Very low43.2Very low127 Ų127136.8 Ų136.883%0.82581%0.809SS**  trans-113.1175.7157.135.7-24.9000112.7
378L39.4Very low43.5Very low178 Ų178137.8 Ų137.893%0.93282%0.815SS**  trans-93.9163.7-161.3-117.369.3000116.6
379A36.6Very low43.5Very low97 Ų97136.2 Ų136.280%0.80281%0.809SS**  trans-61.9151.9178.500000117.6
380A37.8Very low43.6Very low102 Ų102133.9 Ų133.984%0.84381%0.809SS**  trans179.6161.2137.500000109.9
381A39.4Very low43.2Very low82 Ų82134.6 Ų134.668%0.67881%0.811SS**  cis-171.9141.1-3800000108.8
382L41.6Very low42.7Very low184 Ų184136.2 Ų136.296%0.96381%0.813SS**  trans65150.1169.7-52.6163.7000116.4
383G38Very low42.2Very low59 Ų59134 Ų13461%0.60881%0.805SS**  cis172.8156.3-10.100000112.2
384E38Very low42.3Very low205 Ų205132.3 Ų132.396%0.95880%0.801SS**  trans64.6150158.3-67.3173.3121.300118.8
385A38.6Very low42.1Very low100 Ų100126.7 Ų126.783%0.82679%0.789SS**  cis-152.4-158.2-9.300000111.5
386E40.7Very low42Very low186 Ų186124.5 Ų124.587%0.86979%0.786SS**  trans-99.1172.8-155.8-98.5-156.993.700119.5
387P50.8Low42.4Very low105 Ų105124 Ų12468%0.68278%0.783SS**  trans-95.2-141.3-175.643.4-39.4000112.4
388P54Low42.4Very low130 Ų130128.1 Ų128.184%0.84479%0.788SS**  cis-136.2-172.8-14.239.1-18.4000116.3
389G41.3Very low42.3Very low68 Ų68125.9 Ų125.970%0.70178%0.781SS**  trans-173.6157170.200000116.2
390P51.2Low42.4Very low117 Ų117129.5 Ų129.576%0.7678%0.781SS**  trans-141.2-173.8-135.643.9-25.7000119.6
391V45.6Very low42.7Very low129 Ų129131.6 Ų131.678%0.78278%0.777SS**  trans67.3160163.2-50.90000119.4
392D44.6Very low43.3Very low151 Ų151132.9 Ų132.981%0.80778%0.778SS**  cis-153-168.54.4-139.7-42.7000113.7
393A41.2Very low43.4Very low79 Ų79129.9 Ų129.965%0.65377%0.77SS**  trans-101.3-162.4-171.400000116.3
394T41.3Very low43.7Very low121 Ų121133 Ų13374%0.74278%0.779SS**  cis-165.6160.519.3-18.40000114.8
395D40.7Very low43.9Very low129 Ų129127.5 Ų127.569%0.6977%0.769SS**  trans58120.3145.6-77.5-32.2000128.7
396L39Very low44.4Very low147 Ų147131.4 Ų131.477%0.7777%0.769SS**  60.1174123.7-64.6174.2000123.4
397P46.4Very low44.3Very low108 Ų108128.4 Ų128.470%0.70177%0.766SS**  cis-138.3165.4-47.337.8-22.2000116.6
398K43.3Very low43.7Very low214 Ų214127.7 Ų127.793%0.9377%0.769SS**  trans-166.6172.5147-116.5162-174.9169.40115.5
399V38.1Very low43.1Very low130 Ų130127.3 Ų127.379%0.78877%0.767SS**  trans-140.2158.1-152.1172.50000114.9
400Q38Very low43.3Very low174 Ų174130.8 Ų130.881%0.81377%0.774SS**  trans81.5156.2164.1-108.8175.132.100117.2
401I45Very low42.9Very low146 Ų146134.3 Ų134.375%0.74978%0.78SS**  cis-140.4147.29.2-47.6168.4000110.8
402P53Low42.7Very low108 Ų108136.6 Ų136.670%0.70178%0.782SS**  trans-97.5159.917439.2-36.3000114.6
403P43.2Very low42.4Very low122 Ų122134.5 Ų134.579%0.79278%0.777SS**  -156.4-160.596.444-25.3000113.3
404P43.7Very low42.6Very low124 Ų124136 Ų13681%0.80578%0.78SS**  cis-115.7-169.4-27.433.4-14.3000112.5
405A41.8Very low42.6Very low89 Ų89136.4 Ų136.474%0.73678%0.784SS**  trans-110.7141.3-169.200000116.4
406H49.2Very low43Very low182 Ų182138 Ų13884%0.84379%0.792SS**  trans-147.5168.6165.6-74.6-56000109.6
407P40Very low43.3Very low124 Ų124136.6 Ų136.681%0.80579%0.792SS**PPolyproline II helix-93.5172.6-100.4148.8000114.1
408A36.9Very low43.3Very low90 Ų90140.5 Ų140.574%0.74480%0.8SS**PPolyproline II helixtrans-61.2144.5-176.900000113.8
409P41Very low43.2Very low122 Ų122141.5 Ų141.579%0.79280%0.798SS**PPolyproline II helixtrans-69140.2176.329.5-34.8000111.4H411P409-H411 PolarHBondContact O-N 3.03Å
410V45.8Very low43.2Very low141 Ų141140.3 Ų140.386%0.85579%0.793SS**PPolyproline II helixtrans-63.3129.8175179.20000109.5Q412V410-Q412 PolarHBondContact O-N 2.91Å
411H43.2Very low43.5Very low190 Ų190137.4 Ų137.488%0.8879%0.79SS**  trans-59.4106.2174.5-97-74.9000110.8P409P409-H411 PolarHBondContact O-N 3.03Å
412Q40.4Very low43.1Very low178 Ų178136 Ų13683%0.83279%0.79SS**PPolyproline II helixtrans-74.1127169.8-156.1171.328.500108.2V410V410-Q412 PolarHBondContact O-N 2.91Å
413P40.1Very low42.4Very low107 Ų107136 Ų13670%0.69579%0.79SS**PPolyproline II helixtrans-66.6149.3176.928.2-34.3000110.3
414P43.9Very low42.1Very low111 Ų111134.2 Ų134.272%0.72178%0.778SS**PPolyproline II helixtrans-61.6151.6176.727.5-35000110.9L416P414-L416 PolarHBondContact O-N 3.25Å
415P42Very low41.7Very low128 Ų128133 Ų13383%0.83177%0.77SS**PPolyproline II helixtrans-60.4130.9179.125.7-34000110.5
416L48.6Very low41.7Very low162 Ų162133 Ų13385%0.84877%0.765SS**PPolyproline II helixtrans-60140.3178.1-69170.7000110.4P414P414-L416 PolarHBondContact O-N 3.25Å
417P45.7Very low41Very low118 Ų118129.1 Ų129.177%0.76676%0.759SS**PPolyproline II helixtrans-53.4144.5174.5-26.134.7000111.9R419P417-R419 PolarHBondContact O-N 2.96Å
418H45.8Very low40.8Very low190 Ų190129.3 Ų129.388%0.8874%0.744SS**PPolyproline II helixtrans-53.2116.3-175.3-68.3-78.7000111.8
419R41Very low40.8Very low235 Ų235130.5 Ų130.589%0.88774%0.736SS**PPolyproline II helixtrans-55.2127.6173.4-170.6-176.7-170.3-171.74.3108.8P417P417-R419 PolarHBondContact O-N 2.96Å
420P39.6Very low40.4Very low105 Ų105131 Ų13168%0.68274%0.736SS**PPolyproline II helixtrans-60.2149.7177.425.1-33.9000110.3
421P42.5Very low39.7Very low114 Ų114127.6 Ų127.674%0.7473%0.73SS**PPolyproline II helixtrans-59.9144.9176.826.8-34.5000110.1
422P38.5Very low39Very low115 Ų115124.3 Ų124.375%0.74772%0.716SS**PPolyproline II helixtrans-61147.2175.427.7-34.6000110.2
423P36.8Very low38.3Very low110 Ų110120.6 Ų120.671%0.71471%0.71SS**PPolyproline II helixtrans-59.9150.9174.626.7-34.6000110.5
424P37.3Very low38.1Very low83 Ų83120.7 Ų120.754%0.53971%0.709SS.*PPolyproline II helixtrans-57144.6174.125.4-33.6000110.3S426 Y428P424-S426 PolarHBondContact O-N 2.86Å; P424-Y428 HydrophobicContact CB-CE1 4.17Å; P424-Y428 HydrophobicContact CG-CE1 3.99Å
425P36Very low37.5Very low98 Ų98120.5 Ų120.564%0.63671%0.706SS**PPolyproline II helixtrans-61.1135.6-170.824.4-34.5000111.6S427 Y428P425-S427 PolarHBondContact O-N 3.05Å; P425-Y428 WeakPolarHBondContact O-CD1 3.48Å; P425-Y428 WeakPolarHBondContact O-CE1 3.25Å
426S40.6Very low37Very low90 Ų90119 Ų11963%0.62970%0.699SS**G310 helixtrans-61.12.8-171-44.50000116.4P424 Y428 M429P424-S426 PolarHBondContact O-N 2.86Å; S426-Y428 PolarHBondContact O-N 2.89Å; S426-M429 PolarHBondContact O-N 3.26Å
427S35Very low36.3Very low101 Ų101116.5 Ų116.571%0.70670%0.695SS**G310 helixtrans-59-5.9178.3-45.90000115.1P425P425-S427 PolarHBondContact O-N 3.05Å
428Y36Very low35.8Very low127 Ų127119.5 Ų119.550%0.49869%0.692SS.*G310 helixtrans-97.5-9.8174.862.6-90.7000114.4P424 P425 S426P424-Y428 HydrophobicContact CB-CE1 4.17Å; P424-Y428 HydrophobicContact CG-CE1 3.99Å; P425-Y428 WeakPolarHBondContact O-CD1 3.48Å; P425-Y428 WeakPolarHBondContact O-CE1 3.25Å; S426-Y428 PolarHBondContact O-N 2.89Å
429M36.4Very low35.5Very low116 Ų116115.8 Ų115.857%0.57168%0.676SS**THydrogen-bonded Turntrans-99.1-19.4-179.2-71-176.568.600114.2S426 G431 M432S426-M429 PolarHBondContact O-N 3.26Å; M429-G431 PolarHBondContact O-N 3.07Å; M429-M432 PolarHBondContact O-N 2.96Å
430T33.8Very low35.2Very low131 Ų131109.2 Ų109.280%0.80467%0.667SS**THydrogen-bonded Turntrans-73.413.2-173.1400000115.7
431G30.3Very low35.2Very low70 Ų70104.7 Ų104.772%0.72264%0.638SS**THydrogen-bonded Turntrans-137.45.2177.400000115.4M429M429-G431 PolarHBondContact O-N 3.07Å
432M29.8Very low35Very low121 Ų121107 Ų10760%0.59664%0.639SS**  trans-95.597.8-178.1-72-172.217100111.7M429 T434M429-M432 PolarHBondContact O-N 2.96Å; M432-T434 PolarHBondContact O-N 3.2Å; M432-T434 VanDerWaalsContact O-N 3.11Å
433S25.2Very low35.2Very low101 Ų101102.7 Ų102.771%0.70662%0.616SS**  trans-66.1105.7164.7-58.80000109.7T435S433-T435 PolarHBondContact O-N 3.23Å
434T34.7Very low35.4Very low109 Ų10998.3 Ų98.367%0.66959%0.586SS**  trans-71.916174.1500000113.6M432 S436M432-T434 PolarHBondContact O-N 3.2Å; M432-T434 VanDerWaalsContact O-N 3.11Å; T434-S436 PolarHBondContact O-N 3.24Å
435T31.8Very low35.9Very low107 Ų107101.2 Ų101.266%0.65659%0.592SS**  trans-71.7117.617450.20000110S433 S437S433-T435 PolarHBondContact O-N 3.23Å; T435-S437 PolarHBondContact O-N 3.34Å
436S31.1Very low36.4Very low97 Ų9799.6 Ų99.668%0.67858%0.583SS**  trans-54.2101.8175-174.90000111.6T434 Y438T434-S436 PolarHBondContact O-N 3.24Å; S436-Y438 PolarHBondContact O-N 3.2Å
437S34Very low37.1Very low109 Ų10996.3 Ų96.376%0.76256%0.558SS**  trans-85.697.6170.545.20000108.7T435 M439T435-S437 PolarHBondContact O-N 3.34Å; S437-M439 PolarHBondContact O-N 3.19Å
438Y35Very low38Very low181 Ų18193.7 Ų93.771%0.7154%0.535SS*.  trans-45.2120.4-180-77.3-106.6000111.9S436 S440S436-Y438 PolarHBondContact O-N 3.2Å; Y438-S440 PolarHBondContact O-N 2.98Å
439M39.6Very low39.1Very low112 Ų11290.9 Ų90.955%0.55253%0.533SS*.  trans-64.8116.9159.9-71-141.376.900108.2S437 G441S437-M439 PolarHBondContact O-N 3.19Å; M439-G441 PolarHBondContact O-N 3.08Å
440S36.3Very low40Very low97 Ų9787.7 Ų87.768%0.67852%0.518SS*.  trans-52.7114.3174.6-65.60000109.6Y438 E442 G443Y438-S440 PolarHBondContact O-N 2.98Å; S440-E442 PolarHBondContact O-N 2.92Å; S440-G443 WeakPolarHBondContact O-CA 3.36Å; S440-G443 PolarHBondContact O-N 2.82Å
441G38.6Very low41.1Very low9 Ų982.3 Ų82.39%0.09348%0.484CS..Hα-helixtrans-72.922.3-166.800000116.5K262 M439K262-G441 PolarHBondContact NZ-O 3.03Å; M439-G441 PolarHBondContact O-N 3.08Å
442E37.4Very low42.3Very low163 Ų16385.5 Ų85.576%0.76248%0.478SS*.Hα-helixtrans-75.3-43.5152.3-64.2179.2137.900109.1S440 Y444 Q445 S446S440-E442 PolarHBondContact O-N 2.92Å; E442-Y444 VanDerWaalsContact C-N 3.29Å; E442-Y444 PolarHBondContact O-N 2.72Å; E442-Q445 PolarHBondContact O-N 3.33Å; E442-S446 PolarHBondContact O-N 3.02Å
443G43.6Very low43Very low25 Ų2583.5 Ų83.526%0.25847%0.473SS..Hα-helixtrans-47.8-53.9165.100000110.1S440 Q445 S446 L447S440-G443 WeakPolarHBondContact O-CA 3.36Å; S440-G443 PolarHBondContact O-N 2.82Å; G443-Q445 VanDerWaalsContact C-N 3.34Å; G443-Q445 PolarHBondContact O-N 2.96Å; G443-S446 CarbonylContact O-C 3.54Å; G443-S446 WeakPolarHBondContact O-CA 3.39Å; G443-S446 VanDerWaalsContact O-CB 3.29Å; G443-S446 WeakPolarHBondContact O-CB 3.45Å; G443-S446 PolarHBondContact O-N 3.36Å; G443-L447 VanDerWaalsContact O-CG 3.25Å; G443-L447 WeakPolarHBondContact O-CG 3.42Å; G443-L447 PolarHBondContact O-N 2.96Å
444Y40.2Very low43.6Very low18 Ų1887.8 Ų87.87%0.07148%0.481CS..Hα-helixtrans-49.9-45.7178.5-177.2-99.2000114.6L255 D256 S259 E442 L447 Q448L255-Y444 HydrophobicContact CB-CE2 3.99Å; L255-Y444 WeakPolarHBondContact O-CE2 3.46Å; D256-Y444 PolarHBondContact OD1-OH 3.25Å; S259-Y444 VanDerWaalsContact CB-CZ 3.45Å; S259-Y444 WeakPolarHBondContact CB-OH 3.32Å; S259-Y444 WeakPolarHBondContact OG-CE1 3.45Å; E442-Y444 VanDerWaalsContact C-N 3.29Å; E442-Y444 PolarHBondContact O-N 2.72Å; Y444-L447 PolarHBondContact O-N 3.03Å; Y444-Q448 HydrophobicContact CE1-CG 3.97Å; Y444-Q448 PolarHBondContact O-N 2.95Å; Y444-Q448 PolarHBondContact OH-NE2 2.96Å
445Q47.6Very low43.7Very low143 Ų14385 Ų8567%0.66847%0.474SS*.Hα-helixtrans-68.6-38175.9-70.2-162.23800112E442 G443 L447 Q448 S449E442-Q445 PolarHBondContact O-N 3.33Å; G443-Q445 VanDerWaalsContact C-N 3.34Å; G443-Q445 PolarHBondContact O-N 2.96Å; Q445-L447 VanDerWaalsContact C-N 3.3Å; Q445-L447 PolarHBondContact O-N 3.42Å; Q445-Q448 PolarHBondContact O-N 2.94Å; Q445-S449 WeakPolarHBondContact O-CB 3.36Å; Q445-S449 PolarHBondContact O-N 3.25Å
446S48.5Very low44.1Very low64 Ų6484.5 Ų84.545%0.44847%0.473SS..Hα-helixtrans-62.3-35.6171.7-172.20000112.3E442 G443 S449 M450E442-S446 PolarHBondContact O-N 3.02Å; G443-S446 CarbonylContact O-C 3.54Å; G443-S446 WeakPolarHBondContact O-CA 3.39Å; G443-S446 VanDerWaalsContact O-CB 3.29Å; G443-S446 WeakPolarHBondContact O-CB 3.45Å; G443-S446 PolarHBondContact O-N 3.36Å; S446-S449 PolarHBondContact O-N 3.04Å; S446-M450 WeakPolarHBondContact O-CG 3.33Å; S446-M450 PolarHBondContact O-N 2.97Å
447L53.8Low44.2Very low21 Ų2185.3 Ų85.311%0.1148%0.479CS..Hα-helixtrans-67.2-49.1175.4-56.1-169.2000111L217 L255 G443 Y444 Q445 S449 M450 M451L217-L447 HydrophobicContact CD1-CD1 4.39Å; L217-L447 HydrophobicContact CD2-CB 4.01Å; L217-L447 HydrophobicContact CD2-CD1 3.52Å; L217-L447 HydrophobicContact CD2-CD2 3.47Å; L217-L447 VanDerWaalsContact CD2-CD2 3.47Å; L217-L447 HydrophobicContact CD2-CG 3.78Å; L255-L447 HydrophobicContact CD2-CD1 4.16Å; G443-L447 VanDerWaalsContact O-CG 3.25Å; G443-L447 WeakPolarHBondContact O-CG 3.42Å; G443-L447 PolarHBondContact O-N 2.96Å; Y444-L447 PolarHBondContact O-N 3.03Å; Q445-L447 VanDerWaalsContact C-N 3.3Å; Q445-L447 PolarHBondContact O-N 3.42Å; L447-S449 PolarHBondContact O-N 3.23Å; L447-M450 HydrophobicContact CD2-CE 3.56Å; L447-M450 PolarHBondContact O-N 2.83Å; L447-M450 VanDerWaalsContact O-N 3.16Å; L447-M451 PolarHBondContact O-N 2.79Å; L447-M451 VanDerWaalsContact O-N 3.12Å
448Q54.9Low44.3Very low47 Ų4787.8 Ų87.822%0.2247%0.472CS..Hα-helixtrans-56-41.8171.9-80-1557.800111.6Y444 Q445 M450 M451 K452Y444-Q448 HydrophobicContact CE1-CG 3.97Å; Y444-Q448 PolarHBondContact O-N 2.95Å; Y444-Q448 PolarHBondContact OH-NE2 2.96Å; Q445-Q448 PolarHBondContact O-N 2.94Å; Q448-M450 PolarHBondContact O-N 2.85Å; Q448-M451 PolarHBondContact O-N 3.1Å; Q448-K452 WeakPolarHBondContact O-CB 3.37Å; Q448-K452 VanDerWaalsContact O-CG 3.29Å; Q448-K452 WeakPolarHBondContact O-CG 3.3Å; Q448-K452 PolarHBondContact O-N 2.96Å
449S57.5Low44.2Very low67 Ų6782.4 Ų82.447%0.46947%0.472SS..Hα-helixtrans-63-40.8178.6-170.10000111.9Q445 S446 L447 M451 K452 T453Q445-S449 WeakPolarHBondContact O-CB 3.36Å; Q445-S449 PolarHBondContact O-N 3.25Å; S446-S449 PolarHBondContact O-N 3.04Å; L447-S449 PolarHBondContact O-N 3.23Å; S449-M451 VanDerWaalsContact C-N 3.31Å; S449-M451 PolarHBondContact O-N 3.33Å; S449-K452 PolarHBondContact O-N 2.9Å; S449-T453 WeakPolarHBondContact O-CG2 3.41Å; S449-T453 PolarHBondContact O-N 3Å; S449-T453 PolarHBondContact O-OG1 3.41Å
450M56.2Low44Very low50 Ų5081.8 Ų81.825%0.24649%0.485CS..Hα-helixtrans-71.5-21.1178.1-72.6-173.7-62.500114K219 S446 L447 Q448 T453K219-M450 WeakPolarHBondContact CE-SD 3.36Å; S446-M450 WeakPolarHBondContact O-CG 3.33Å; S446-M450 PolarHBondContact O-N 2.97Å; L447-M450 HydrophobicContact CD2-CE 3.56Å; L447-M450 PolarHBondContact O-N 2.83Å; L447-M450 VanDerWaalsContact O-N 3.16Å; Q448-M450 PolarHBondContact O-N 2.85Å; M450-T453 WeakPolarHBondContact CA-OG1 3.41Å; M450-T453 PolarHBondContact O-OG1 2.58Å
451M57.1Low44.1Very low17 Ų1784.9 Ų84.98%0.08449%0.493CS..Hα-helixtrans-84.7-32170.1-70.4171.769.500112.5E248 C251 L255 L447 Q448 S449E248-M451 WeakPolarHBondContact OE2-CE 3.38Å; C251-M451 HydrophobicContact CB-CE 3.34Å; C251-M451 HydrophobicContact CB-SD 4.41Å; L255-M451 HydrophobicContact CD1-CE 4.24Å; L255-M451 HydrophobicContact CD1-SD 3.26Å; L255-M451 WeakPolarHBondContact CD1-SD 3.37Å; L447-M451 PolarHBondContact O-N 2.79Å; L447-M451 VanDerWaalsContact O-N 3.12Å; Q448-M451 PolarHBondContact O-N 3.1Å; S449-M451 VanDerWaalsContact C-N 3.31Å; S449-M451 PolarHBondContact O-N 3.33Å
452K55.5Low44.1Very low138 Ų13890.2 Ų90.260%0.653%0.526SS*.Hα-helixtrans-79-19.6177.3-72.3168.1177.9173.70113.6Q448 S449Q448-K452 WeakPolarHBondContact O-CB 3.37Å; Q448-K452 VanDerWaalsContact O-CG 3.29Å; Q448-K452 WeakPolarHBondContact O-CG 3.3Å; Q448-K452 PolarHBondContact O-N 2.96Å; S449-K452 PolarHBondContact O-N 2.9Å
453T44.6Very low44.1Very low79 Ų7988.6 Ų88.649%0.48553%0.529SS..SBendtrans-70.7132.3167.544.40000110.8S449 M450S449-T453 WeakPolarHBondContact O-CG2 3.41Å; S449-T453 PolarHBondContact O-N 3Å; S449-T453 PolarHBondContact O-OG1 3.41Å; M450-T453 WeakPolarHBondContact CA-OG1 3.41Å; M450-T453 PolarHBondContact O-OG1 2.58Å
454E38.6Very low43.9Very low191 Ų19191.7 Ų91.789%0.89355%0.552SS**PPolyproline II helixtrans-56.6155.4-169.2-59.7178.7132.200113.8
455G35.6Very low43.9Very low50 Ų50102.8 Ų102.852%0.51560%0.596SS.*PPolyproline II helixtrans-62.5163.6-173.500000114S457G455-S457 PolarHBondContact O-N 3.29Å
456P40Very low43.4Very low97 Ų9799.3 Ų99.363%0.6360%0.598SS**  trans-60.5109.3179.725.4-33.7000110.4Y458P456-Y458 PolarHBondContact O-N 2.81Å
457S33.7Very low43Very low114 Ų114102.1 Ų102.180%0.79762%0.615SS**  trans-56.3125.9162-175.80000107.7G455 G459G455-S457 PolarHBondContact O-N 3.29Å; S457-G459 PolarHBondContact O-N 2.78Å
458Y36.1Very low42.4Very low160 Ų160107 Ų10763%0.62765%0.648SS**  trans-7182.5178.8-85.7-107.9000109.1R232 P456 A460R232-Y458 PolarHBondContact O-OH 3.44Å; P456-Y458 PolarHBondContact O-N 2.81Å; Y458-A460 PolarHBondContact O-N 2.9Å
459G33.5Very low41.7Very low69 Ų69109.3 Ų109.371%0.71168%0.675SS**PPolyproline II helixtrans-58.1129.4175.600000110.6S457S457-G459 PolarHBondContact O-N 2.78Å
460A35.5Very low41Very low99 Ų99115 Ų11582%0.81869%0.694SS**PPolyproline II helixtrans-61.5146.2178.900000111.4Y458Y458-A460 PolarHBondContact O-N 2.9Å
461L37.7Very low40.2Very low162 Ų162120.8 Ų120.885%0.84873%0.725SS**PPolyproline II helixtrans-59.4135.5178.9-68.5168000111.3P463L461-P463 WeakPolarHBondContact O-CD 3.12Å
462P38.9Very low39.2Very low120 Ų120124.8 Ų124.878%0.77975%0.752SS**PPolyproline II helixtrans-77.7126.5175.730.5-33.3000111.6
463P36.7Very low38.1Very low129 Ų129128 Ų12884%0.83876%0.762SS**  trans-102.8103.9177.834.8-27000112.3L461L461-P463 WeakPolarHBondContact O-CD 3.12Å
464A40.2Very low37.9Very low90 Ų90131.3 Ų131.374%0.74477%0.772SS**  trans-158.193.4173.500000116
465Y40.2Very low38Very low252 Ų252127.1 Ų127.199%0.98876%0.761SS**  trans-165.9121.6149.9-91.6-83.2000105.3
466G36.6Very low38.3Very low69 Ų69132.9 Ų132.971%0.71177%0.774SS**  cis-161.5156.2-13.700000108.2
467P40.9Very low38.6Very low124 Ų124134.7 Ų134.781%0.80578%0.783SS**  trans-89.1-172.2-169.141.1-40.5000112.2
468P41Very low39.1Very low124 Ų124139.2 Ų139.281%0.80578%0.784SS**  cis-140.71637.441.8-23.9000118.5
469A40.6Very low40.3Very low95 Ų95136.7 Ų136.779%0.78579%0.787SS**  trans-165.4136142.900000112.8
470H41.2Very low41.9Very low186 Ų186139.2 Ų139.286%0.86179%0.791SS**  trans-7.7125.1167-55.3-94.2000121.2
471L39.6Very low42.8Very low172 Ų172141.9 Ų141.990%0.90179%0.791SS**  179.2153.7113.8-92.5167.9000111.3
472P36.7Very low44.4Very low100 Ų100139.5 Ų139.565%0.64979%0.786SS**  trans-110.3169.8-172.540.8-34.2000116.1
473Y32.7Very low46Very low207 Ų207139.3 Ų139.381%0.81278%0.784SS**  trans67.8149-178-67.7-96.9000114.8
474H40.4Very low47.5Very low148 Ų148138.6 Ų138.669%0.68578%0.78SS**  cis-141.414212.1-150.6-79.2000110.4
475P40.3Very low49Very low103 Ų103139.7 Ų139.767%0.66978%0.78SS**PPolyproline II helixtrans-80.4129.5179.330.9-33.8000112.3
476H41.8Very low50.6Low170 Ų170133.6 Ų133.679%0.78777%0.771SS**PPolyproline II helixtrans-99.6117.7167-87.4-82.9000110.6
477V45.9Very low52.2Low135 Ų135136.8 Ų136.882%0.81878%0.776SS**PPolyproline II helixtrans-81117.9174.4179.10000109
478Y44Very low53.6Low210 Ų210135.9 Ų135.982%0.82477%0.77SS**PPolyproline II helixtrans-82.5136.3162.9-86.1-92.9000109.6
479P61.4Low55.1Low106 Ų106135.5 Ų135.569%0.68877%0.768SS**PPolyproline II helixtrans-69.7152.6174.930.5-34.8000111
480P67.1Low56.3Low122 Ų122136.4 Ų136.479%0.79277%0.766SS**PPolyproline II helixtrans-66.5147.7173.229.5-34.9000111.1
481N55.8Low57.5Low155 Ų155132.8 Ų132.883%0.82976%0.758SS**PPolyproline II helixtrans-58.9140.7172.9-82.8-18000110.8
482P69.6Low58.2Low112 Ų112128.7 Ų128.773%0.72775%0.75SS**PPolyproline II helixtrans-65.2149.3173.129.1-34.8000110.9
483P72.7Confident58.8Low116 Ų116129.6 Ų129.675%0.75376%0.758SS**PPolyproline II helixtrans-65.8153.2174.829.3-35.3000111.3
484P68.9Low59.7Low115 Ų115128.2 Ų128.275%0.74776%0.757SS**PPolyproline II helixtrans-62.815117427.8-34.9000111.3
485P71.8Confident61Low113 Ų113126.2 Ų126.273%0.73476%0.757SS**PPolyproline II helixtrans-64.9150.8179.228-35.2000111.7
486P74.6Confident62Low124 Ų124126.9 Ų126.981%0.80576%0.761SS**PPolyproline II helixtrans-65.6137.6-179.727.5-34.6000111.6
487V68.5Low62.9Low135 Ų135124.1 Ų124.182%0.81876%0.758SS**PPolyproline II helixtrans-66.8130.5173.8-1760000109
488P71.3Confident63.5Low106 Ų106122.6 Ų122.669%0.68876%0.76SS**PPolyproline II helixtrans-66147.4177.727.5-34.8000111.3
489P73.1Confident64Low115 Ų115120.1 Ų120.175%0.74776%0.759SS**PPolyproline II helixtrans-65.4150.3176.828.7-35.1000111.2
490P66Low64.2Low115 Ų115120 Ų12075%0.74776%0.759SS**PPolyproline II helixtrans-63.6147.1174.928.2-34.9000110.9A492P490-A492 PolarHBondContact O-N 2.98Å
491P64.9Low64.2Low109 Ų109119.7 Ų119.771%0.70876%0.757SS**PPolyproline II helixtrans-65.4120.8179.826.7-33.9000110.8
492A54.6Low64.3Low87 Ų87118.3 Ų118.372%0.71976%0.756SS**PPolyproline II helixtrans-69.8154169.800000111P490P490-A492 PolarHBondContact O-N 2.98Å
493S49.6Very low63.9Low118 Ų118119.2 Ų119.283%0.82576%0.76SS**  trans54.476.2173.253.70000116.5
494F51.7Low63.3Low179 Ų179119.3 Ų119.379%0.78576%0.76SS**PPolyproline II helixtrans-82.8134.2138.2-91.3-91.4000108.8
495P66.8Low62.2Low106 Ų106117.5 Ų117.569%0.68876%0.763SS**PPolyproline II helixtrans-67.9150.8169.230.4-34.2000110.2
496P63Low61.4Low116 Ų116122.3 Ų122.375%0.75377%0.768SS**PPolyproline II helixtrans-63.5144.5175.127.9-34.6000110.6A498P496-A498 PolarHBondContact O-N 2.95Å
497P60Low61.1Low112 Ų112121.6 Ų121.673%0.72776%0.763SS**PPolyproline II helixtrans-62.2136.7173.427.4-34.1000109.8I499P497-I499 PolarHBondContact O-N 2.9Å
498A59.4Low60.9Low104 Ų104120.8 Ų120.886%0.8676%0.761SS**  trans-67.5105.5179.100000110.4P496 P500P496-A498 PolarHBondContact O-N 2.95Å; A498-P500 WeakPolarHBondContact O-CD 3.25Å
499I52.5Low60.8Low157 Ų157121.2 Ų121.281%0.80576%0.763SS**PPolyproline II helixtrans-75.3117.9175.8-58175.2000108P497P497-I499 PolarHBondContact O-N 2.9Å
500P66.2Low60.4Low104 Ų104120.8 Ų120.868%0.67576%0.76SS**PPolyproline II helixtrans-68147.7172.829.3-34000110.3A498A498-P500 WeakPolarHBondContact O-CD 3.25Å
501P68.1Low60.2Low115 Ų115121.5 Ų121.575%0.74777%0.765SS**PPolyproline II helixtrans-63.5149.718027.5-35.1000111.4T503P501-T503 PolarHBondContact O-N 2.78Å
502P57.8Low59.7Low126 Ų126122.6 Ų122.682%0.81877%0.77SS**PPolyproline II helixtrans-64.3126.9-178.926.8-34.4000111
503T60.1Low59.4Low131 Ų131128.4 Ų128.480%0.80478%0.775SS**PPolyproline II helixtrans-68136.6171.835.10000110.5P501 G505P501-T503 PolarHBondContact O-N 2.78Å; T503-G505 PolarHBondContact O-N 3.18Å
504P61Low59.8Low118 Ų118127.4 Ų127.477%0.76676%0.76SS**PPolyproline II helixtrans-58128.4173.4-25.535.2000111.3Y506P504-Y506 PolarHBondContact O-N 2.81Å
505G45.7Very low60.2Low77 Ų77123.6 Ų123.679%0.79475%0.753SS**PPolyproline II helixtrans-71.1122.3-17600000112.6T503T503-G505 PolarHBondContact O-N 3.18Å
506Y54.8Low59.8Low215 Ų215125.1 Ų125.184%0.84376%0.756SS**PPolyproline II helixtrans-80136158.8-84.7-96.7000109.4P504P504-Y506 PolarHBondContact O-N 2.81Å
507P67.6Low59.3Low109 Ų109127.6 Ų127.671%0.70876%0.755SS**PPolyproline II helixtrans-67.2145.717229.4-34.1000110.2
508P64.7Low59.7Low118 Ų118127.2 Ų127.277%0.76675%0.753SS**PPolyproline II helixtrans-64.9143.1172.928.4-34.2000110.3
509P68.8Low59.9Low114 Ų114127.8 Ų127.874%0.7475%0.748SS**PPolyproline II helixtrans-65.3150.9174.128.4-34.5000110.8
510P64.8Low60.5Low106 Ų106125.9 Ų125.969%0.68875%0.745SS**PPolyproline II helixtrans-64.8147.1177.728.2-35000111.2T512P510-T512 PolarHBondContact O-N 2.95Å
511P62.5Low60.5Low130 Ų130126.2 Ų126.284%0.84475%0.747SS**  trans-70101.6-178.128.2-34.5000111.3Y513P511-Y513 PolarHBondContact O-N 3.36Å
512T53.3Low60.2Low132 Ų132126.7 Ų126.781%0.8175%0.75SS**  trans-72.789.6172.153.20000110.2P510 N514P510-T512 PolarHBondContact O-N 2.95Å; T512-N514 PolarHBondContact O-N 2.85Å; T512-N514 VanDerWaalsContact O-N 3.1Å
513Y49.5Very low60Low210 Ų210132.4 Ų132.482%0.82476%0.756SS**  trans-67.9103.6176.9-165.5-88.5000110.4P511 P515P511-Y513 PolarHBondContact O-N 3.36Å; Y513-P515 HydrophobicContact CD1-CG 4.25Å; Y513-P515 HydrophobicContact CE1-CG 4.37Å; Y513-P515 WeakPolarHBondContact O-CD 3.5Å
514N56.8Low59.5Low96 Ų96133.6 Ų133.651%0.51376%0.757SS.*  trans-97.9110.6174.6-179.4-1.3000109.6T512 N516T512-N514 PolarHBondContact O-N 2.85Å; T512-N514 VanDerWaalsContact O-N 3.1Å; N514-N516 PolarHBondContact O-N 3.4Å; N514-N516 VanDerWaalsContact O-N 3.13Å; N514-N516 PolarHBondContact OD1-N 2.77Å; N514-N516 VanDerWaalsContact OD1-N 3.17Å
515P60.7Low59.1Low100 Ų100133 Ų13365%0.64975%0.753SS**THydrogen-bonded Turntrans-67.4-10.9-176.3-21.634.5000115.6Y513Y513-P515 HydrophobicContact CD1-CG 4.25Å; Y513-P515 HydrophobicContact CE1-CG 4.37Å; Y513-P515 WeakPolarHBondContact O-CD 3.5Å
516N58.6Low59.2Low138 Ų138135 Ų13574%0.73875%0.751SS**THydrogen-bonded Turntrans-99.717.7-166.6-75.8-8.1000115.4N514N514-N516 PolarHBondContact O-N 3.4Å; N514-N516 VanDerWaalsContact O-N 3.13Å; N514-N516 PolarHBondContact OD1-N 2.77Å; N514-N516 VanDerWaalsContact OD1-N 3.17Å
517F53.3Low58.6Low167 Ų167131 Ų13173%0.73275%0.749SS**  trans-118.5119.8171.2-93.8-90.6000111.7
518P68Low57.4Low105 Ų105134.8 Ų134.868%0.68276%0.757SS**PPolyproline II helixtrans-69.2153171.230.7-34.3000110.6
519P63.3Low56.2Low116 Ų116133.2 Ų133.275%0.75375%0.754SS**PPolyproline II helixtrans-62.7146.2175.927.3-34.7000111
520P64.5Low54.8Low116 Ų116134.1 Ų134.175%0.75376%0.758SS**PPolyproline II helixtrans-63.6148.5175.328.2-34.8000110.8
521P66.2Low54Low111 Ų111134.5 Ų134.572%0.72176%0.76SS**PPolyproline II helixtrans-63.6153.6179.127.6-35.2000111.4R523P521-R523 PolarHBondContact O-N 3.06Å
522P62.7Low53.1Low125 Ų125133.4 Ų133.481%0.81275%0.753SS**PPolyproline II helixtrans-54.8128.4177.8-25.134.3000111.4L524P522-L524 PolarHBondContact O-N 3.31Å; P522-L524 VanDerWaalsContact O-N 3.12Å
523R52.5Low52.7Low246 Ų246135.7 Ų135.793%0.92875%0.754SS**  trans-65114170.3-75.8-178174.6-111.32.1108.4P521P521-R523 PolarHBondContact O-N 3.06Å
524L49.7Very low53Low157 Ų157131.3 Ų131.382%0.82275%0.751SS**PPolyproline II helixtrans-56.1142.4165.5-69.2168.9000109.2P522P522-L524 PolarHBondContact O-N 3.31Å; P522-L524 VanDerWaalsContact O-N 3.12Å
525P53.6Low52.7Low105 Ų105132.6 Ų132.668%0.68277%0.765SS**PPolyproline II helixtrans-60146171.527.8-34.6000109.4T527P525-T527 PolarHBondContact O-N 3.11Å; P525-T527 VanDerWaalsContact O-N 3.11Å
526P46.4Very low51.7Low118 Ų118134.1 Ų134.177%0.76678%0.775SS**PPolyproline II helixtrans-61.6118.6-179.225.6-33.5000110H528P526-H528 PolarHBondContact O-N 3.09Å
527T43Very low51.1Low131 Ų131131 Ų13180%0.80478%0.776SS**PPolyproline II helixtrans-61.4125.7168.846.80000108.8P525 A529P525-T527 PolarHBondContact O-N 3.11Å; P525-T527 VanDerWaalsContact O-N 3.11Å; T527-A529 VanDerWaalsContact C-N 3.28Å; T527-A529 PolarHBondContact O-N 3.17Å
528H42.1Very low50.5Low189 Ų189132 Ų13288%0.87579%0.788SS**  trans-66.387.7173.4-95.7-92.2000110.2P526 V530P526-H528 PolarHBondContact O-N 3.09Å; H528-V530 PolarHBondContact O-N 3.11Å
529A40.4Very low49.1Very low85 Ų85130.6 Ų130.670%0.70279%0.792SS**PPolyproline II helixtrans-65.4122.516900000108.8T527 P531T527-A529 VanDerWaalsContact C-N 3.28Å; T527-A529 PolarHBondContact O-N 3.17Å; A529-P531 VanDerWaalsContact O-CD 3.32Å; A529-P531 WeakPolarHBondContact O-CD 3.42Å
530V38.1Very low48.1Very low134 Ų134133.4 Ų133.481%0.81280%0.8SS**PPolyproline II helixtrans-71.2119.1179.8178.30000109.4H528H528-V530 PolarHBondContact O-N 3.11Å
531P49.3Very low47.2Very low113 Ų113133.3 Ų133.373%0.73480%0.8SS**PPolyproline II helixtrans-80.9130.317331.9-31.1000110.3A529A529-P531 VanDerWaalsContact O-CD 3.32Å; A529-P531 WeakPolarHBondContact O-CD 3.42Å
532P42.2Very low46.2Very low107 Ų107133.9 Ų133.970%0.69580%0.803SS**PPolyproline II helixtrans-83142178.732.7-34.2000112.7
533H44.9Very low45.1Very low180 Ų180132.5 Ų132.583%0.83380%0.802SS**  trans45.3124.5161.1-56.8-69.5000120.5
534P56.1Low44.5Very low119 Ų119125.9 Ų125.977%0.77379%0.794SS**PPolyproline II helixtrans-78.5148.4168.333.6-34.2000112.4
535P51.1Low44.2Very low122 Ų122129.5 Ų129.579%0.79280%0.798SS**PPolyproline II helixtrans-79.7157.4172.833.4-35000112.7
536P40.3Very low44.4Very low132 Ų132129.8 Ų129.886%0.85780%0.8SS**PPolyproline II helixtrans-97146.3-174.836.2-34.5000115.1
537G44.9Very low44.6Very low74 Ų74129.8 Ų129.876%0.76380%0.8SS**  trans87.2155.7167.400000115.5
538L40.4Very low45.1Very low187 Ų187129.6 Ų129.698%0.97980%0.801SS**  cis-152.3140.6-6.3-96.6167.1000107.9
539G38.6Very low45.6Very low76 Ų76125.4 Ų125.478%0.78480%0.799SS**  trans167.587.9177.400000116.5
540L42.9Very low46.1Very low175 Ų175127.8 Ų127.892%0.91681%0.805SS**  trans-110.6175.1159.1-68.2173.2000107.4
541P45.7Very low47.2Very low114 Ų114126.6 Ų126.674%0.7480%0.8SS**  cis-130.2-153.45.446.8-29.4000110.6
542P44.5Very low46.9Very low123 Ų123127.6 Ų127.680%0.79981%0.806SS**  cis-123.6176-1439-22.5000114.5
543A39.8Very low47.3Very low96 Ų96126.3 Ų126.379%0.79381%0.812SS**  trans-107.5147.6-179.700000112.8
544S40.6Very low46.9Very low107 Ų107121.6 Ų121.675%0.74881%0.812SS**  trans-176.194.915632.90000113.2
545Y42.9Very low46.2Very low232 Ų232124.8 Ų124.891%0.9182%0.817SS**  trans-153128.4151.1-97.5-73.4000109.2
546P57.3Low46.4Very low111 Ų111124.3 Ų124.372%0.72181%0.814SS**PPolyproline II helixtrans-86.8155.3-177.934.4-35.1000112.8
547P52.2Low46.7Very low118 Ų118124 Ų12477%0.76681%0.812SS**PPolyproline II helixtrans-73.3152.6170.532.1-34.9000111.8
548P53.7Low47.2Very low127 Ų127126.8 Ų126.883%0.82581%0.814SS**PPolyproline II helixtrans-70.2149.6177.229.6-35000112.5
549A52.3Low48Very low102 Ų102122.9 Ų122.984%0.84380%0.8SS**PPolyproline II helixtrans-79.9151.1-174.300000113.9
550V50.8Low48.9Very low134 Ų134124.8 Ų124.881%0.81280%0.798SS**PPolyproline II helixtrans-96.1131175.3179.40000109.8
551P60.7Low49.4Very low109 Ų109122.5 Ų122.571%0.70879%0.794SS**PPolyproline II helixtrans-74.7144.7174.530.9-34.4000111.7
552P42.6Very low49.8Very low134 Ų134124.7 Ų124.787%0.8780%0.798SS**PPolyproline II helixtrans-83.7137.2-176.132.3-34.5000113.4
553G49.9Very low50.2Low80 Ų80123.8 Ų123.883%0.82579%0.792SS**  trans110.8137.1172.500000113.9
554G36.6Very low50.7Low81 Ų81124.8 Ų124.884%0.83579%0.79SS**  cis168.653.5-100000116.4
555Q42.9Very low51Low187 Ų187126.1 Ų126.187%0.87480%0.796SS**  trans-144.6148163.8-92.3-170.3-10.200111.4
556P53.7Low51Low111 Ų111118.7 Ų118.772%0.72179%0.79SS**PPolyproline II helixtrans-76.9154.5176.932.9-35.2000111.9
557P48.4Very low50.2Low127 Ų127122.2 Ų122.283%0.82580%0.8SS**PPolyproline II helixtrans-69.8131.4179.328.6-34.4000112
558V54.3Low49.7Very low132 Ų132121.8 Ų121.880%0.880%0.796SS**PPolyproline II helixtrans-73.4133.7172.3-178.10000109.2
559P56.7Low48.9Very low105 Ų105122 Ų12268%0.68280%0.798SS**PPolyproline II helixtrans-67.9150.3178.328.2-35.4000112.1
560P58.1Low48.5Very low115 Ų115123.8 Ų123.875%0.74780%0.798SS**PPolyproline II helixtrans-65.9150.8176.728.7-35.1000111.7
561P53Low47.5Very low128 Ų128121.1 Ų121.183%0.83180%0.797SS**PPolyproline II helixtrans-68.3137.5-175.727.8-34.9000112.4
562I54Low46.3Very low159 Ų159119.6 Ų119.682%0.81580%0.801SS**PPolyproline II helixtrans-71.9127.3177.4-57.9172000109.2
563P53Low46Very low104 Ų104121.6 Ų121.668%0.67580%0.804SS**PPolyproline II helixtrans-71.9146.2174.230.2-34.4000111.3
564P51.6Low45.2Very low117 Ų117121.1 Ų121.176%0.7680%0.799SS**PPolyproline II helixtrans-67.5146.3-179.928.4-35.1000112
565P46.7Very low45.4Very low135 Ų135126.6 Ų126.688%0.87779%0.794SS**SBendtrans-71.4132.6179.129.7-34.3000111.1
566G41.5Very low45Very low76 Ų76121.5 Ų121.578%0.78478%0.784SS**  trans152.66.3170.300000119.6
567M40.9Very low43.9Very low186 Ų186119.8 Ų119.892%0.91678%0.78SS**  trans-129.6139.3177.3-78.3-167.7163.300114
568P41.3Very low43.2Very low108 Ų108123.8 Ų123.870%0.70178%0.779SS**  trans-78.4158.6177.733.7-36000112.3V570P568-V570 PolarHBondContact O-N 3.25Å
569P37Very low42.2Very low131 Ų131124.5 Ų124.585%0.85178%0.775SS**  trans-74.7111.8-177.629.8-34.5000112.1
570V44.3Very low41.1Very low141 Ų141134 Ų13486%0.85580%0.797SS**  trans-88.4114.1165.1-179.20000108.4P568 G572P568-V570 PolarHBondContact O-N 3.25Å; V570-G572 PolarHBondContact O-N 3.26Å; V570-G572 VanDerWaalsContact O-N 3.11Å
571G31.2Very low40.2Very low77 Ų77135 Ų13579%0.79480%0.8SS**  trans-67.9105-172.800000113.8
572G35.4Very low39.5Very low77 Ų77135.3 Ų135.379%0.79480%0.798SS**  trans-83.4107168.400000111.4V570 G574V570-G572 PolarHBondContact O-N 3.26Å; V570-G572 VanDerWaalsContact O-N 3.11Å; G572-G574 PolarHBondContact O-N 3.46Å
573L36.5Very low38.7Very low177 Ų177134 Ų13493%0.92780%0.797SS**  trans-67.8108.6172.3-85162.2000110.5
574G31.9Very low37.9Very low70 Ų70135.8 Ų135.872%0.72280%0.804SS**  trans-72.5133.6169.800000111.6G572G572-G574 PolarHBondContact O-N 3.46Å
575R41.5Very low37Very low195 Ų195136.9 Ų136.974%0.73681%0.807SS**  trans-123.7107159.9-80.4-172.6170.8-119.7-2.1107.8
576A33.2Very low36.4Very low80 Ų80137.1 Ų137.166%0.66180%0.803SS**  trans-107.6158174.600000110.3
577A31.2Very low36Very low76 Ų76141.4 Ų141.463%0.62880%0.804SS**  trans55.188.3160.500000117.9
578W33.2Very low35.6Very low211 Ų211138 Ų13880%0.79980%0.795SS**  trans-132.594144.4-71.399.9000110.3L17L17-W578 HydrophobicContact CD2-CZ2 3.92Å
579M33.7Very low35.2Very low147 Ų147140.5 Ų140.572%0.72480%0.803SS**  trans-122.3121.3155.9-86-170175.600107.2
580R33Very low35Very low304 Ų304141.4 Ų141.4100%1.14780%0.799SS**  trans-160.90165-131.3-176.1-164.6-77.1-1.4111.9

Retrieved 580 of 580 residues in 735.4 ms (Link to these results)