A0A060WAR7_ONCMY Loading...

Myozenin 2b

AlphaFold DB (A0A673ZA76), UniProt , Accession A0A060WAR7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene myoz2b, Length 255 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
1M38.1Very low68.8Low239 Ų239115.3 Ų115.3100%1.17765%0.654SS**  0110.10-72.1-172.7159.300108Q3M1-Q3 PolarHBondContact O-N 2.85Å
2S55.5Low69.8Low97 Ų97116.3 Ų116.368%0.67864%0.64SS**  trans-74.3116.1-177.3-177.80000109.2F4S2-F4 WeakPolarHBondContact O-CD2 3.31Å; S2-F4 PolarHBondContact O-N 3.45Å
3Q61.9Low70.8Confident190 Ų190120 Ų12089%0.88865%0.646SS**  trans-67.6101.5174.4-65.5-1746.500108.2M1 C5M1-Q3 PolarHBondContact O-N 2.85Å; Q3-C5 PolarHBondContact O-N 3.46Å
4F61.6Low71.7Confident181 Ų181120.8 Ų120.879%0.79465%0.646SS**  trans-65.6117.6171.1-75.1-84.5000108.1S2 T6S2-F4 WeakPolarHBondContact O-CD2 3.31Å; S2-F4 PolarHBondContact O-N 3.45Å; F4-T6 PolarHBondContact O-N 2.93Å; F4-T6 VanDerWaalsContact O-N 3.15Å
5C60.3Low72.5Confident79 Ų79119.9 Ų119.953%0.53464%0.635SS.*  trans-61.5114.5176.6-178.70000109.3Q3 M7Q3-C5 PolarHBondContact O-N 3.46Å; C5-M7 PolarHBondContact O-N 3.12Å
6T77.4Confident73.2Confident142 Ų142115.8 Ų115.887%0.87162%0.624SS**  trans-78.70.318050.30000113.4F4F4-T6 PolarHBondContact O-N 2.93Å; F4-T6 VanDerWaalsContact O-N 3.15Å
7M78.5Confident73.6Confident57 Ų57110.9 Ų110.928%0.28160%0.603SS.*  trans-74.6137.4-173.7-64-160-51.100112.6C5 E11 R12 H15C5-M7 PolarHBondContact O-N 3.12Å; M7-E11 HydrophobicContact CB-CB 4.41Å; M7-R12 HydrophobicContact CB-CG 3.73Å; M7-R12 HydrophobicContact CE-CG 3.93Å; M7-R12 PolarHBondContact O-NE 3.16Å; M7-H15 HydrophobicContact CE-CB 4.23Å
8P83.2Confident74Confident69 Ų69107.2 Ų107.245%0.44859%0.59SS.*  trans-59.5153.8172.325.9-33.5000111.1G10 E11 R12P8-G10 PolarHBondContact O-N 3.48Å; P8-G10 VanDerWaalsContact O-N 3.14Å; P8-E11 VanDerWaalsContact CD-OE2 3.28Å; P8-E11 WeakPolarHBondContact CD-OE2 3.28Å; P8-E11 HydrophobicContact CG-CB 4.08Å; P8-E11 VanDerWaalsContact CG-CD 3.43Å; P8-E11 HydrophobicContact CG-CG 3.87Å; P8-E11 WeakPolarHBondContact CG-OE2 3.38Å; P8-E11 PolarHBondContact O-N 3.39Å; P8-E11 VanDerWaalsContact O-N 3.14Å; P8-R12 PolarHBondContact O-N 2.72Å; P8-R12 VanDerWaalsContact O-N 3.07Å
9A75.7Confident74.4Confident69 Ų69106.5 Ų106.557%0.5758%0.584SS**Hα-helixtrans-58.1-32.8-172.300000113.5K13A9-K13 WeakPolarHBondContact O-CB 2.98Å; A9-K13 PolarHBondContact O-N 3.07Å
10G81.1Confident74.3Confident49 Ų49104.2 Ų104.251%0.50558%0.576SS.*Hα-helixtrans-64.3-47.8176.300000112.8P8 K13 M14P8-G10 PolarHBondContact O-N 3.48Å; P8-G10 VanDerWaalsContact O-N 3.14Å; G10-K13 WeakPolarHBondContact O-CB 3.08Å; G10-K13 PolarHBondContact O-N 2.81Å; G10-M14 WeakPolarHBondContact O-CG 3.09Å; G10-M14 PolarHBondContact O-N 2.76Å
11E83.6Confident74.2Confident96 Ų96107 Ų10745%0.44958%0.578SS.*Hα-helixtrans-67.2-38.9178.8-71.9173.5-164.100111.9M7 P8 K13 M14 H15M7-E11 HydrophobicContact CB-CB 4.41Å; P8-E11 VanDerWaalsContact CD-OE2 3.28Å; P8-E11 WeakPolarHBondContact CD-OE2 3.28Å; P8-E11 HydrophobicContact CG-CB 4.08Å; P8-E11 VanDerWaalsContact CG-CD 3.43Å; P8-E11 HydrophobicContact CG-CG 3.87Å; P8-E11 WeakPolarHBondContact CG-OE2 3.38Å; P8-E11 PolarHBondContact O-N 3.39Å; P8-E11 VanDerWaalsContact O-N 3.14Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 3.08Å; E11-M14 PolarHBondContact O-N 3.09Å; E11-H15 PolarHBondContact O-N 3.17Å
12R80.5Confident75.9Confident127 Ų127103.3 Ų103.348%0.47956%0.558SS.*Hα-helixtrans-58.8-43.1172.2-73.6-170.5-78.6156.3-1.4112M7 P8 H15 A16M7-R12 HydrophobicContact CB-CG 3.73Å; M7-R12 HydrophobicContact CE-CG 3.93Å; M7-R12 PolarHBondContact O-NE 3.16Å; P8-R12 PolarHBondContact O-N 2.72Å; P8-R12 VanDerWaalsContact O-N 3.07Å; R12-H15 PolarHBondContact O-N 3.03Å; R12-A16 VanDerWaalsContact O-CB 3.31Å; R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 3.17Å
13K83.1Confident76.3Confident165 Ų165104 Ų10472%0.71756%0.558SS**Hα-helixtrans-65.3-39.8177.2-171.2178.1179.1-178.30111.5A9 G10 E11 A17A9-K13 WeakPolarHBondContact O-CB 2.98Å; A9-K13 PolarHBondContact O-N 3.07Å; G10-K13 WeakPolarHBondContact O-CB 3.08Å; G10-K13 PolarHBondContact O-N 2.81Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 3.08Å; K13-A17 VanDerWaalsContact O-CB 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.1Å; K13-A17 PolarHBondContact O-N 3.02Å
14M83.8Confident76.3Confident131 Ų131100.3 Ų100.365%0.64554%0.54SS*.Hα-helixtrans-66.9-44.4176.8-69.5-147-6900112.5G10 E11 A17 A18G10-M14 WeakPolarHBondContact O-CG 3.09Å; G10-M14 PolarHBondContact O-N 2.76Å; E11-M14 PolarHBondContact O-N 3.09Å; M14-A17 PolarHBondContact O-N 2.95Å; M14-A18 WeakPolarHBondContact O-CB 3.38Å; M14-A18 PolarHBondContact O-N 2.95Å
15H83.6Confident75.8Confident107 Ų10793.6 Ų93.650%0.49552%0.522SS..Hα-helixtrans-61.1-47174.6-98.5-81.1000111.8M7 E11 R12 A17 A18 I19M7-H15 HydrophobicContact CE-CB 4.23Å; E11-H15 PolarHBondContact O-N 3.17Å; R12-H15 PolarHBondContact O-N 3.03Å; H15-A17 VanDerWaalsContact C-N 3.28Å; H15-A17 PolarHBondContact O-N 2.82Å; H15-A18 PolarHBondContact O-N 3.22Å; H15-A18 VanDerWaalsContact O-N 3.15Å; H15-I19 WeakPolarHBondContact O-CG1 3.47Å; H15-I19 PolarHBondContact O-N 3.42Å
16A83.5Confident75.4Confident54 Ų5495 Ų9545%0.44654%0.539SS..Hα-helixtrans-60.1-39.9176.700000111.7R12 S20R12-A16 VanDerWaalsContact O-CB 3.31Å; R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 3.17Å; A16-S20 VanDerWaalsContact O-CB 3.3Å; A16-S20 WeakPolarHBondContact O-CB 3.37Å; A16-S20 PolarHBondContact O-N 2.82Å; A16-S20 PolarHBondContact O-OG 2.92Å
17A80.2Confident74.2Confident33 Ų3394.6 Ų94.627%0.27353%0.532SS..Hα-helixtrans-67.7-37.8175.500000112.5K13 M14 H15 S20 R21K13-A17 VanDerWaalsContact O-CB 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.1Å; K13-A17 PolarHBondContact O-N 3.02Å; M14-A17 PolarHBondContact O-N 2.95Å; H15-A17 VanDerWaalsContact C-N 3.28Å; H15-A17 PolarHBondContact O-N 2.82Å; A17-S20 PolarHBondContact O-N 3.41Å; A17-R21 WeakPolarHBondContact O-CG 3.33Å; A17-R21 PolarHBondContact O-N 3.41Å; A17-R21 PolarHBondContact O-NE 3.1Å
18A80.3Confident73Confident44 Ų4495.4 Ų95.436%0.36455%0.554SS.*Hα-helixtrans-64.8-48.5176.400000111.8M14 H15 S20 R21 E22M14-A18 WeakPolarHBondContact O-CB 3.38Å; M14-A18 PolarHBondContact O-N 2.95Å; H15-A18 PolarHBondContact O-N 3.22Å; H15-A18 VanDerWaalsContact O-N 3.15Å; A18-S20 VanDerWaalsContact C-N 3.3Å; A18-S20 PolarHBondContact O-N 3.11Å; A18-R21 PolarHBondContact O-N 3.1Å; A18-R21 VanDerWaalsContact O-N 3.14Å; A18-E22 PolarHBondContact O-N 3.32Å
19I80.8Confident71.8Confident94 Ų9498.6 Ų98.648%0.48257%0.568SS.*Hα-helixtrans-61-41.9175.7-65.1166.4000110.4H15 R21 E22 V23H15-I19 WeakPolarHBondContact O-CG1 3.47Å; H15-I19 PolarHBondContact O-N 3.42Å; I19-R21 VanDerWaalsContact C-N 3.3Å; I19-R21 PolarHBondContact O-N 2.83Å; I19-E22 PolarHBondContact O-N 3.08Å; I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CG2 3.47Å; I19-V23 PolarHBondContact O-N 3.48Å
20S73.2Confident71.2Confident61 Ų6199.7 Ų99.743%0.42757%0.567SS.*Hα-helixtrans-60.9-40.1176.9-59.90000111.4A16 A17 A18 H24A16-S20 VanDerWaalsContact O-CB 3.3Å; A16-S20 WeakPolarHBondContact O-CB 3.37Å; A16-S20 PolarHBondContact O-N 2.82Å; A16-S20 PolarHBondContact O-OG 2.92Å; A17-S20 PolarHBondContact O-N 3.41Å; A18-S20 VanDerWaalsContact C-N 3.3Å; A18-S20 PolarHBondContact O-N 3.11Å; S20-H24 WeakPolarHBondContact O-CB 3.21Å; S20-H24 PolarHBondContact O-N 3.17Å; S20-H24 PolarHBondContact O-ND1 2.7Å
21R72.3Confident70.4Confident164 Ų164100.2 Ų100.262%0.61956%0.557SS**Hα-helixtrans-68.5-36.5176-73.4-178.9-68.7-107.52.2113A17 A18 I19 G25A17-R21 WeakPolarHBondContact O-CG 3.33Å; A17-R21 PolarHBondContact O-N 3.41Å; A17-R21 PolarHBondContact O-NE 3.1Å; A18-R21 PolarHBondContact O-N 3.1Å; A18-R21 VanDerWaalsContact O-N 3.14Å; I19-R21 VanDerWaalsContact C-N 3.3Å; I19-R21 PolarHBondContact O-N 2.83Å; R21-G25 PolarHBondContact O-N 2.85Å; R21-G25 VanDerWaalsContact O-N 3.14Å
22E72.7Confident69.5Low160 Ų16098.6 Ų98.675%0.74855%0.552SS**Hα-helixtrans-66.2-45.6177.8-172.6179.8171.100111.8A18 I19 H24 G25A18-E22 PolarHBondContact O-N 3.32Å; I19-E22 PolarHBondContact O-N 3.08Å; E22-H24 VanDerWaalsContact C-N 3.33Å; E22-H24 PolarHBondContact O-N 2.96Å; E22-G25 PolarHBondContact O-N 3.44Å
23V65.9Low68.9Low112 Ų11295.7 Ų95.768%0.67955%0.546SS*.Hα-helixtrans-66-34.3178.91730000112.4I19I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CG2 3.47Å; I19-V23 PolarHBondContact O-N 3.48Å
24H60.1Low68Low113 Ų11389.3 Ų89.352%0.52353%0.526SS..Hα-helixtrans-91-1.6-177.9-64.783.5000113.7S20 E22 T30S20-H24 WeakPolarHBondContact O-CB 3.21Å; S20-H24 PolarHBondContact O-N 3.17Å; S20-H24 PolarHBondContact O-ND1 2.7Å; E22-H24 VanDerWaalsContact C-N 3.33Å; E22-H24 PolarHBondContact O-N 2.96Å; H24-T30 HydrophobicContact CB-CG2 3.73Å
25G52Low67.3Low39 Ų3991 Ų9140%0.40254%0.536SS..  trans71161-178.700000113.9R21 E22 N27R21-G25 PolarHBondContact O-N 2.85Å; R21-G25 VanDerWaalsContact O-N 3.14Å; E22-G25 PolarHBondContact O-N 3.44Å; G25-N27 PolarHBondContact O-N 3.38Å; G25-N27 VanDerWaalsContact O-N 3.1Å
26A52.2Low66.7Low108 Ų10894.1 Ų94.189%0.89355%0.548SS*.SBendtrans-72.42.7-175.100000115.1G28A26-G28 PolarHBondContact O-N 3.38Å
27N52.3Low65.6Low135 Ų13598.2 Ų98.272%0.72257%0.567SS**  trans-84.4107.2178.3-64.9-24.6000108.1G25 D29G25-N27 PolarHBondContact O-N 3.38Å; G25-N27 VanDerWaalsContact O-N 3.1Å; N27-D29 PolarHBondContact O-N 3.11Å
28G53.9Low64.9Low73 Ų73101 Ų10175%0.75359%0.585SS**SBendtrans-62.79.6-17500000116.6A26 T30A26-G28 PolarHBondContact O-N 3.38Å; G28-T30 PolarHBondContact O-N 3.1Å
29D57.5Low64.3Low137 Ų137104.2 Ų104.273%0.73360%0.6SS**  trans-100.746.9180-67-19.8000111.3N27 M31N27-D29 PolarHBondContact O-N 3.11Å; D29-M31 PolarHBondContact O-N 2.94Å
30T63.3Low63.4Low92 Ų92105.5 Ų105.556%0.56462%0.615SS**  trans-67.486.6165.650.20000108.5H24 G28H24-T30 HydrophobicContact CB-CG2 3.73Å; G28-T30 PolarHBondContact O-N 3.1Å
31M63.6Low63.1Low59 Ų59110.9 Ų110.929%0.29163%0.63SS.*  trans-58.3137.4174.8-66.7-170.8-158.800110.2D29 L33 H141 Q146D29-M31 PolarHBondContact O-N 2.94Å; M31-L33 HydrophobicContact CB-CD2 4.4Å; M31-L33 PolarHBondContact O-N 2.9Å; M31-H141 HydrophobicContact CB-CB 3.87Å; M31-H141 HydrophobicContact CG-CB 4.31Å; M31-H141 HydrophobicContact SD-CB 3.88Å; M31-Q146 HydrophobicContact CE-CB 4.43Å; M31-Q146 HydrophobicContact CE-CG 3.22Å; M31-Q146 HydrophobicContact SD-CG 3.49Å; M31-Q146 WeakPolarHBondContact SD-CG 3.28Å; M31-Q146 PolarHBondContact SD-NE2 2.92Å
32D65Low63.1Low63 Ų63110 Ų11034%0.33764%0.638SS.*  trans-75.494.6176.6-163.1-17.6000109.3G34 K138 H141D32-G34 PolarHBondContact O-N 2.83Å; D32-G34 VanDerWaalsContact O-N 3.08Å; D32-G34 PolarHBondContact OD1-N 3.48Å; D32-G34 VanDerWaalsContact OD1-N 3.12Å; D32-K138 HydrophobicContact CB-CB 4.17Å; D32-K138 HydrophobicContact CB-CD 4.43Å; D32-K138 WeakPolarHBondContact OD2-CB 3.29Å; D32-K138 WeakPolarHBondContact OD2-CD 3.41Å; D32-H141 PolarHBondContact O-N 2.94Å; D32-H141 VanDerWaalsContact O-N 3.11Å
33L67.6Low62.8Low66 Ų66108 Ų10835%0.34663%0.631SS.*  trans-74.314.6176.9-56.5-178.5000112.7M31 Y140 H141 P143M31-L33 HydrophobicContact CB-CD2 4.4Å; M31-L33 PolarHBondContact O-N 2.9Å; L33-Y140 WeakPolarHBondContact O-CD2 3.03Å; L33-Y140 VanDerWaalsContact O-CE2 3.27Å; L33-Y140 WeakPolarHBondContact O-CE2 3.43Å; L33-H141 VanDerWaalsContact CD2-O 3.3Å; L33-H141 WeakPolarHBondContact CD2-O 3.43Å; L33-P143 HydrophobicContact CD2-CG 4.06Å
34G64.3Low62.9Low30 Ų30107.7 Ų107.731%0.30962%0.624SS.*  trans71.6-177.9-177.300000113.4D32 K36D32-G34 PolarHBondContact O-N 2.83Å; D32-G34 VanDerWaalsContact O-N 3.08Å; D32-G34 PolarHBondContact OD1-N 3.48Å; D32-G34 VanDerWaalsContact OD1-N 3.12Å; G34-K36 PolarHBondContact O-N 3.37Å; G34-K36 VanDerWaalsContact O-N 3.12Å
35I69Low63.3Low167 Ų167109.4 Ų109.486%0.85664%0.636SS**  trans-69.5111.1179.4-60.7170.8000108.2V37I35-V37 PolarHBondContact O-N 3.1Å
36K72.1Confident64.1Low173 Ų173114.3 Ų114.375%0.75265%0.648SS**  trans-59.3111172.7-65.6-178.4-178.4179.30108.8G34 S38G34-K36 PolarHBondContact O-N 3.37Å; G34-K36 VanDerWaalsContact O-N 3.12Å; K36-S38 PolarHBondContact O-N 3.36Å; K36-S38 VanDerWaalsContact O-N 3.11Å
37V59.6Low65.1Low139 Ų139112.6 Ų112.684%0.84262%0.622SS**  trans-68.1108.3168.5-1760000106.1I35I35-V37 PolarHBondContact O-N 3.1Å
38S65.9Low65.8Low91 Ų91107.4 Ų107.464%0.63659%0.594SS**  trans-58.1143.7174.457.20000109.2K36K36-S38 PolarHBondContact O-N 3.36Å; K36-S38 VanDerWaalsContact O-N 3.11Å
39T67.1Low66.5Low113 Ų113107.3 Ų107.369%0.69358%0.582SS**  trans-48131.6170.849.60000109K41T39-K41 PolarHBondContact O-N 2.98Å
40P60.9Low67.4Low121 Ų121105.1 Ų105.179%0.78657%0.569SS**  trans-56111.6178.621.6-30000107.7D42P40-D42 PolarHBondContact O-N 2.9Å
41K67.4Low67.5Low173 Ų173107.6 Ų107.675%0.75258%0.575SS**  trans-77.4119.4171.7-69.5-174.6177.3-175.10105.9T39 I43T39-K41 PolarHBondContact O-N 2.98Å; K41-I43 PolarHBondContact O-N 3.45Å; K41-I43 VanDerWaalsContact O-N 3.16Å
42D72.9Confident68.1Low146 Ų146110 Ų11078%0.78160%0.597SS**  trans-57.9121.8169.2-70.5-24.1000107.5P40 M44P40-D42 PolarHBondContact O-N 2.9Å; D42-M44 PolarHBondContact O-N 2.73Å
43I66.3Low69Low119 Ų119110.3 Ų110.361%0.6160%0.599SS**  trans-65.9106.1179-61.4169.4000106.2K41 L45 L48K41-I43 PolarHBondContact O-N 3.45Å; K41-I43 VanDerWaalsContact O-N 3.16Å; I43-L45 PolarHBondContact O-N 2.93Å; I43-L48 HydrophobicContact CG2-CD1 4Å; I43-L48 HydrophobicContact CG2-CD2 3.73Å; I43-L48 HydrophobicContact CG2-CG 3.65Å
44M68.6Low69.8Low104 Ų104116.9 Ų116.951%0.51262%0.619SS.*  trans-66.3135.2177-60.6-172-64.400108.6D42 E46 E47 L48D42-M44 PolarHBondContact O-N 2.73Å; M44-E46 PolarHBondContact O-N 2.78Å; M44-E46 VanDerWaalsContact O-N 3.09Å; M44-E47 HydrophobicContact CB-CG 4.21Å; M44-E47 HydrophobicContact CE-CG 4.04Å; M44-E47 WeakPolarHBondContact CE-OE1 3.2Å; M44-E47 WeakPolarHBondContact O-CB 3.44Å; M44-E47 PolarHBondContact O-N 3.38Å; M44-L48 PolarHBondContact O-N 3.1Å
45L67.8Low70.9Confident150 Ų150117.2 Ų117.279%0.78562%0.623SS**Hα-helixtrans-53.7-31.3176.5-70.9171.6000112I43 L48 S49I43-L45 PolarHBondContact O-N 2.93Å; L45-L48 HydrophobicContact CD2-CD1 4.47Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-S49 PolarHBondContact O-N 3.21Å
46E69.8Low71.6Confident142 Ų142109.4 Ų109.466%0.66458%0.583SS**Hα-helixtrans-61.6-40.2173.6-171.2179.8170.500112.8M44 L48 S49M44-E46 PolarHBondContact O-N 2.78Å; M44-E46 VanDerWaalsContact O-N 3.09Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.31Å; E46-S49 WeakPolarHBondContact O-CB 3.45Å; E46-S49 PolarHBondContact O-N 2.96Å; E46-S49 VanDerWaalsContact O-N 3.09Å; E46-S49 PolarHBondContact O-OG 3.38Å
47E71.4Confident72.4Confident72 Ų72109 Ų10934%0.33658%0.577SS.*Hα-helixtrans-67.6-28.5177.8-66.7-174.3175.800112.4M44 S49 S56M44-E47 HydrophobicContact CB-CG 4.21Å; M44-E47 HydrophobicContact CE-CG 4.04Å; M44-E47 WeakPolarHBondContact CE-OE1 3.2Å; M44-E47 WeakPolarHBondContact O-CB 3.44Å; M44-E47 PolarHBondContact O-N 3.38Å; E47-S49 VanDerWaalsContact C-N 3.3Å; E47-S56 WeakPolarHBondContact O-CB 3.06Å
48L68Low73.9Confident26 Ų26106.8 Ų106.814%0.13656%0.56CS.*Hα-helixtrans-73-23.3173.9-66177.9000112.6I43 M44 L45 E46 S56 F59 K60I43-L48 HydrophobicContact CG2-CD1 4Å; I43-L48 HydrophobicContact CG2-CD2 3.73Å; I43-L48 HydrophobicContact CG2-CG 3.65Å; M44-L48 PolarHBondContact O-N 3.1Å; L45-L48 HydrophobicContact CD2-CD1 4.47Å; L45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.31Å; L48-S56 WeakPolarHBondContact O-CB 3.42Å; L48-F59 HydrophobicContact CD1-CD1 4.05Å; L48-F59 HydrophobicContact CD1-CD2 4.37Å; L48-F59 HydrophobicContact CD1-CE1 4Å; L48-F59 HydrophobicContact CD1-CE2 4.31Å; L48-F59 HydrophobicContact CD1-CG 4.25Å; L48-F59 HydrophobicContact CD1-CZ 4.13Å; L48-F59 HydrophobicContact CD2-CB 3.81Å; L48-F59 HydrophobicContact CD2-CD1 4.03Å; L48-F59 HydrophobicContact CD2-CD2 4.41Å; L48-F59 HydrophobicContact CD2-CG 3.82Å; L48-F59 HydrophobicContact CG-CD1 4.44Å; L48-K60 VanDerWaalsContact O-CE 3.23Å; L48-K60 WeakPolarHBondContact O-CE 3.48Å
49S69.3Low74.9Confident71 Ų71107 Ų10750%0.49755%0.549SS..Hα-helixtrans-71.3-38.5176.980.40000111.6L45 E46 E47 Q51 K60L45-S49 PolarHBondContact O-N 3.21Å; E46-S49 WeakPolarHBondContact O-CB 3.45Å; E46-S49 PolarHBondContact O-N 2.96Å; E46-S49 VanDerWaalsContact O-N 3.09Å; E46-S49 PolarHBondContact O-OG 3.38Å; E47-S49 VanDerWaalsContact C-N 3.3Å; S49-Q51 PolarHBondContact O-N 2.65Å; S49-K60 PolarHBondContact O-NZ 2.92Å; S49-K60 VanDerWaalsContact O-NZ 3.1Å
50L75Confident75.9Confident90 Ų90104.7 Ų104.747%0.47153%0.53SS..  trans-64.6115.7-177.7-63.8173.7000111.6S52 S56L50-S52 PolarHBondContact O-N 2.93Å; L50-S56 WeakPolarHBondContact O-CB 2.99Å; L50-S56 PolarHBondContact O-OG 2.88Å
51Q65.8Low77.3Confident145 Ų145102.6 Ų102.668%0.67851%0.51SS*.THydrogen-bonded Turntrans-74.3-8.9-179.6-64.5-175.9-1.400114.2S49 R57S49-Q51 PolarHBondContact O-N 2.65Å; Q51-R57 WeakPolarHBondContact O-CD 3.34Å
52S76.9Confident78.5Confident109 Ų109103.2 Ų103.276%0.76251%0.508SS*.THydrogen-bonded Turntrans-78-26.3-179.156.20000113.5L50L50-S52 PolarHBondContact O-N 2.93Å
53N84.4Confident79.2Confident69 Ų6999.8 Ų99.837%0.36949%0.487SS..SBendtrans-79.5136.5-178.2-171.5-39.5000111.4G55 S56 R57N53-G55 VanDerWaalsContact C-N 3.32Å; N53-G55 PolarHBondContact O-N 2.72Å; N53-G55 PolarHBondContact OD1-N 2.91Å; N53-S56 PolarHBondContact O-OG 3.25Å; N53-R57 WeakPolarHBondContact O-CG 3.15Å; N53-R57 PolarHBondContact O-N 3.43Å
54R84.6Confident80.2Confident204 Ų204101.9 Ų101.977%0.7749%0.487SS*.Hα-helixtrans-62.8-38.2175.9-174.9179.2179.1-166.30.1112.2R57 L58R54-R57 PolarHBondContact O-N 3.49Å; R54-L58 HydrophobicContact CG-CD1 4.31Å; R54-L58 WeakPolarHBondContact O-CG 3.37Å; R54-L58 PolarHBondContact O-N 3.32Å
55G86.1Confident81.4Confident38 Ų38103.9 Ų103.939%0.39249%0.489SS..Hα-helixtrans-63.5-45.9179.500000112.5N53 R57 L58 F59N53-G55 VanDerWaalsContact C-N 3.32Å; N53-G55 PolarHBondContact O-N 2.72Å; N53-G55 PolarHBondContact OD1-N 2.91Å; G55-R57 VanDerWaalsContact C-N 3.35Å; G55-R57 PolarHBondContact O-N 2.9Å; G55-L58 PolarHBondContact O-N 3Å; G55-F59 PolarHBondContact O-N 3.14Å
56S84.9Confident82.4Confident2 Ų299.6 Ų99.61%0.01447%0.472CS..Hα-helixtrans-63.8-38.7176.864.30000112.3E47 L48 L50 N53 F59 K60E47-S56 WeakPolarHBondContact O-CB 3.06Å; L48-S56 WeakPolarHBondContact O-CB 3.42Å; L50-S56 WeakPolarHBondContact O-CB 2.99Å; L50-S56 PolarHBondContact O-OG 2.88Å; N53-S56 PolarHBondContact O-OG 3.25Å; S56-F59 PolarHBondContact O-N 2.89Å; S56-K60 WeakPolarHBondContact O-CG 3.25Å; S56-K60 PolarHBondContact O-N 3.46Å
57R88.2Confident83.1Confident166 Ų16695.4 Ų95.463%0.62645%0.452SS*.Hα-helixtrans-62.1-44.5173.4-70.5175.466.3173.43.2112.1Q51 N53 R54 G55 K60 M61Q51-R57 WeakPolarHBondContact O-CD 3.34Å; N53-R57 WeakPolarHBondContact O-CG 3.15Å; N53-R57 PolarHBondContact O-N 3.43Å; R54-R57 PolarHBondContact O-N 3.49Å; G55-R57 VanDerWaalsContact C-N 3.35Å; G55-R57 PolarHBondContact O-N 2.9Å; R57-K60 PolarHBondContact O-N 3.16Å; R57-M61 WeakPolarHBondContact O-CB 3.34Å; R57-M61 VanDerWaalsContact O-CG 3.28Å; R57-M61 WeakPolarHBondContact O-CG 3.41Å; R57-M61 PolarHBondContact O-N 3.2Å
58L90.8Very high83.8Confident92 Ų9299.4 Ų99.448%0.48247%0.468SS..Hα-helixtrans-65.7-38.9177.8-73.6174.2000111.9R54 G55 M61 R62R54-L58 HydrophobicContact CG-CD1 4.31Å; R54-L58 WeakPolarHBondContact O-CG 3.37Å; R54-L58 PolarHBondContact O-N 3.32Å; G55-L58 PolarHBondContact O-N 3Å; L58-M61 PolarHBondContact O-N 3.24Å; L58-R62 WeakPolarHBondContact O-CB 3.29Å; L58-R62 PolarHBondContact O-N 3.08Å
59F87.8Confident84.6Confident95 Ų95106.7 Ų106.742%0.41750%0.495SS..Hα-helixtrans-59.5-52.4173.6178.4-97.4000111.3L48 G55 S56 M61 R62 Q63L48-F59 HydrophobicContact CD1-CD1 4.05Å; L48-F59 HydrophobicContact CD1-CD2 4.37Å; L48-F59 HydrophobicContact CD1-CE1 4Å; L48-F59 HydrophobicContact CD1-CE2 4.31Å; L48-F59 HydrophobicContact CD1-CG 4.25Å; L48-F59 HydrophobicContact CD1-CZ 4.13Å; L48-F59 HydrophobicContact CD2-CB 3.81Å; L48-F59 HydrophobicContact CD2-CD1 4.03Å; L48-F59 HydrophobicContact CD2-CD2 4.41Å; L48-F59 HydrophobicContact CD2-CG 3.82Å; L48-F59 HydrophobicContact CG-CD1 4.44Å; G55-F59 PolarHBondContact O-N 3.14Å; S56-F59 PolarHBondContact O-N 2.89Å; F59-M61 VanDerWaalsContact C-N 3.3Å; F59-M61 PolarHBondContact O-N 3.17Å; F59-R62 WeakPolarHBondContact O-CB 3.1Å; F59-R62 PolarHBondContact O-N 2.76Å; F59-R62 VanDerWaalsContact O-N 3.07Å; F59-Q63 WeakPolarHBondContact O-CB 3.46Å; F59-Q63 PolarHBondContact O-N 3.23Å
60K86.6Confident85.2Confident65 Ų65107 Ų10728%0.28349%0.494SS..Hα-helixtrans-60.5-36.5176.9-69.3-179.9-174.9178.10112.9L48 S49 S56 R57 R64L48-K60 VanDerWaalsContact O-CE 3.23Å; L48-K60 WeakPolarHBondContact O-CE 3.48Å; S49-K60 PolarHBondContact O-NZ 2.92Å; S49-K60 VanDerWaalsContact O-NZ 3.1Å; S56-K60 WeakPolarHBondContact O-CG 3.25Å; S56-K60 PolarHBondContact O-N 3.46Å; R57-K60 PolarHBondContact O-N 3.16Å; K60-R64 WeakPolarHBondContact O-CG 3.15Å; K60-R64 PolarHBondContact O-N 3.04Å
61M90.3Very high84.7Confident76 Ų76111.7 Ų111.737%0.37451%0.511SS..Hα-helixtrans-67.8-39.4174.1-73.2-122.2-79.700112.4R57 L58 F59 R65R57-M61 WeakPolarHBondContact O-CB 3.34Å; R57-M61 VanDerWaalsContact O-CG 3.28Å; R57-M61 WeakPolarHBondContact O-CG 3.41Å; R57-M61 PolarHBondContact O-N 3.2Å; L58-M61 PolarHBondContact O-N 3.24Å; F59-M61 VanDerWaalsContact C-N 3.3Å; F59-M61 PolarHBondContact O-N 3.17Å; M61-R65 VanDerWaalsContact O-CG 3.31Å; M61-R65 WeakPolarHBondContact O-CG 3.44Å; M61-R65 PolarHBondContact O-N 3.07Å; M61-R65 VanDerWaalsContact O-N 3.12Å
62R92.4Very high84.6Confident187 Ų187112.8 Ų112.871%0.70652%0.516SS*.Hα-helixtrans-66.5-43.8175.2-177.6176.5-73.1158.5-3.4110.8L58 F59 R65 S66L58-R62 WeakPolarHBondContact O-CB 3.29Å; L58-R62 PolarHBondContact O-N 3.08Å; F59-R62 WeakPolarHBondContact O-CB 3.1Å; F59-R62 PolarHBondContact O-N 2.76Å; F59-R62 VanDerWaalsContact O-N 3.07Å; R62-R65 WeakPolarHBondContact O-CB 3.4Å; R62-R65 PolarHBondContact O-N 2.97Å; R62-R65 VanDerWaalsContact O-N 3.16Å; R62-S66 PolarHBondContact O-N 3.02Å; R62-S66 PolarHBondContact O-OG 2.95Å
63Q87.8Confident83.8Confident74 Ų74109.9 Ų109.935%0.34650%0.496SS..Hα-helixtrans-56.9-50.9175.2-177.8178.41.300111.5F59 R65 S66 E67F59-Q63 WeakPolarHBondContact O-CB 3.46Å; F59-Q63 PolarHBondContact O-N 3.23Å; Q63-R65 VanDerWaalsContact C-N 3.27Å; Q63-R65 PolarHBondContact O-N 2.85Å; Q63-S66 WeakPolarHBondContact CA-OG 3.45Å; Q63-S66 PolarHBondContact O-N 3.05Å; Q63-S66 VanDerWaalsContact O-N 3.08Å; Q63-S66 PolarHBondContact O-OG 3.43Å; Q63-E67 HydrophobicContact CG-CG 4.35Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.3Å; Q63-E67 PolarHBondContact NE2-OE1 3.39Å; Q63-E67 WeakPolarHBondContact O-CB 3.47Å; Q63-E67 VanDerWaalsContact O-CG 3.29Å; Q63-E67 WeakPolarHBondContact O-CG 3.47Å; Q63-E67 PolarHBondContact O-N 3.19Å
64R88.4Confident82.5Confident163 Ų163112.9 Ų112.962%0.61551%0.511SS*.Hα-helixtrans-58.9-37.6175.4-78.7-172.3-74.2164.7-7.3113.2K60 K68K60-R64 WeakPolarHBondContact O-CG 3.15Å; K60-R64 PolarHBondContact O-N 3.04Å; R64-K68 PolarHBondContact O-N 2.96Å
65R93.1Very high81Confident145 Ų145110.9 Ų110.955%0.54751%0.51SS..Hα-helixtrans-67.4-38.1175.8-73.1179.9-166.5112.3-4112M61 R62 Q63 K68 Y69M61-R65 VanDerWaalsContact O-CG 3.31Å; M61-R65 WeakPolarHBondContact O-CG 3.44Å; M61-R65 PolarHBondContact O-N 3.07Å; M61-R65 VanDerWaalsContact O-N 3.12Å; R62-R65 WeakPolarHBondContact O-CB 3.4Å; R62-R65 PolarHBondContact O-N 2.97Å; R62-R65 VanDerWaalsContact O-N 3.16Å; Q63-R65 VanDerWaalsContact C-N 3.27Å; Q63-R65 PolarHBondContact O-N 2.85Å; R65-K68 WeakPolarHBondContact O-CB 3.27Å; R65-Y69 WeakPolarHBondContact O-CD2 3.48Å; R65-Y69 WeakPolarHBondContact O-CE2 3.49Å
66S88Confident79.6Confident60 Ų60113.7 Ų113.742%0.4252%0.516SS..Hα-helixtrans-73.3-39.8177.853.50000112.2R62 Q63 K68 Y69 T70R62-S66 PolarHBondContact O-N 3.02Å; R62-S66 PolarHBondContact O-OG 2.95Å; Q63-S66 WeakPolarHBondContact CA-OG 3.45Å; Q63-S66 PolarHBondContact O-N 3.05Å; Q63-S66 VanDerWaalsContact O-N 3.08Å; Q63-S66 PolarHBondContact O-OG 3.43Å; S66-K68 PolarHBondContact O-N 3.48Å; S66-Y69 PolarHBondContact O-N 3.25Å; S66-T70 PolarHBondContact O-N 3.37Å; S66-T70 VanDerWaalsContact O-N 3.16Å; S66-T70 PolarHBondContact O-OG1 3.32Å
67E86.2Confident78.3Confident54 Ų54121.1 Ų121.125%0.25255%0.551SS.*Hα-helixtrans-58.4-35.7176.6-73.3167.9175.500111.3Q63 Y69 T70Q63-E67 HydrophobicContact CG-CG 4.35Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.3Å; Q63-E67 PolarHBondContact NE2-OE1 3.39Å; Q63-E67 WeakPolarHBondContact O-CB 3.47Å; Q63-E67 VanDerWaalsContact O-CG 3.29Å; Q63-E67 WeakPolarHBondContact O-CG 3.47Å; Q63-E67 PolarHBondContact O-N 3.19Å; E67-Y69 PolarHBondContact O-N 3.04Å; E67-Y69 VanDerWaalsContact O-N 3.07Å; E67-T70 PolarHBondContact O-N 3.05Å
68K85.8Confident76.8Confident157 Ų157116.7 Ų116.768%0.68355%0.55SS*.THydrogen-bonded Turntrans-54.5-29175-175.5176.4177.8-175.80114.1R64 R65 S66R64-K68 PolarHBondContact O-N 2.96Å; R65-K68 WeakPolarHBondContact O-CB 3.27Å; S66-K68 PolarHBondContact O-N 3.48Å
69Y84.1Confident75.1Confident179 Ų179115.1 Ų115.170%0.70254%0.541SS*.THydrogen-bonded Turntrans-115.24.1-175.4-55.6-75.1000113.1R65 S66 E67R65-Y69 WeakPolarHBondContact O-CD2 3.48Å; R65-Y69 WeakPolarHBondContact O-CE2 3.49Å; S66-Y69 PolarHBondContact O-N 3.25Å; E67-Y69 PolarHBondContact O-N 3.04Å; E67-Y69 VanDerWaalsContact O-N 3.07Å
70T81.3Confident73.6Confident76 Ų76115.1 Ų115.147%0.46655%0.549SS..  trans-104.8108-179.4-50.30000109.2S66 E67 E72 S73S66-T70 PolarHBondContact O-N 3.37Å; S66-T70 VanDerWaalsContact O-N 3.16Å; S66-T70 PolarHBondContact O-OG1 3.32Å; E67-T70 PolarHBondContact O-N 3.05Å; T70-E72 PolarHBondContact O-N 3.04Å; T70-S73 PolarHBondContact O-N 2.93Å
71F64.6Low72.1Confident189 Ų189119 Ų11983%0.82957%0.568SS**G310 helixtrans-66.1-20.8-173.5-172.5-105.5000113.8S73F71-S73 PolarHBondContact O-N 3.45Å
72E65.1Low70.5Confident168 Ų168121 Ų12179%0.78558%0.58SS**G310 helixtrans-83.4-3.6-175.6-59.1-173.3-178.800114.8T70 I74T70-E72 PolarHBondContact O-N 3.04Å; E72-I74 PolarHBondContact O-N 3.28Å
73S58.6Low68.7Low48 Ų48114.9 Ų114.934%0.33657%0.566SS.*G310 helixtrans-65.7-10.9-175.6-172.60000114.8T70 F71 Q75 N76T70-S73 PolarHBondContact O-N 2.93Å; F71-S73 PolarHBondContact O-N 3.45Å; S73-Q75 PolarHBondContact O-N 2.86Å; S73-N76 PolarHBondContact O-N 3.48Å
74I57.7Low67Low133 Ų133114.6 Ų114.668%0.68257%0.572SS**G310 helixtrans-69-18.9-174.9-59172.1000112.1E72E72-I74 PolarHBondContact O-N 3.28Å
75Q53.7Low65Low161 Ų161113 Ų11375%0.75258%0.576SS**G310 helixtrans-90.5-0.8-177.8-62.1-66.3-55.800114.3S73 E77S73-Q75 PolarHBondContact O-N 2.86Å; Q75-E77 PolarHBondContact O-N 3.01Å; Q75-E77 VanDerWaalsContact O-N 3.16Å
76N56.4Low63.1Low98 Ų98111.9 Ų111.952%0.52458%0.58SS.*  trans-92.271.4-177.5-140.815000110.5S73 A78 N79S73-N76 PolarHBondContact O-N 3.48Å; N76-A78 PolarHBondContact O-N 3.01Å; N76-N79 PolarHBondContact O-N 3.05Å
77E56.6Low61.3Low158 Ų158115.2 Ų115.274%0.73859%0.593SS**Hα-helixtrans-53.7-25.6-177.3-64.2-173.2167.800113.4Q75 N79Q75-E77 PolarHBondContact O-N 3.01Å; Q75-E77 VanDerWaalsContact O-N 3.16Å; E77-N79 VanDerWaalsContact C-N 3.32Å; E77-N79 PolarHBondContact O-N 3.11Å
78A56.8Low59.3Low73 Ų73116.9 Ų116.960%0.60362%0.615SS**Hα-helixtrans-67.1-25.2176.500000114.5N76N76-A78 PolarHBondContact O-N 3.01Å
79N55.7Low57.2Low58 Ų58117.6 Ų117.631%0.3162%0.621SS.*Hα-helixtrans-87.9-19.7-176.4-148.515.4000112.6N76 E77 S83N76-N79 PolarHBondContact O-N 3.05Å; E77-N79 VanDerWaalsContact C-N 3.32Å; E77-N79 PolarHBondContact O-N 3.11Å; N79-S83 PolarHBondContact O-N 3.08Å
80V56.6Low55.3Low96 Ų96115.6 Ų115.658%0.58262%0.622SS**Hα-helixtrans-66.1-39.3178.3179.30000110.8L82 S83 S84V80-L82 VanDerWaalsContact C-N 3.35Å; V80-L82 PolarHBondContact O-N 3.33Å; V80-S83 PolarHBondContact O-N 2.8Å; V80-S83 PolarHBondContact O-OG 2.91Å; V80-S84 PolarHBondContact O-N 3.08Å
81Q55.3Low53.2Low145 Ų145116.1 Ų116.168%0.67863%0.634SS**Hα-helixtrans-67.7-30.5-178-62-177.218.600113.4S84Q81-S84 PolarHBondContact O-OG 3.16Å
82L55.5Low51.7Low119 Ų119114.6 Ų114.662%0.62364%0.635SS**Hα-helixtrans-78.8-22.2176.8-68173.3000113V80V80-L82 VanDerWaalsContact C-N 3.35Å; V80-L82 PolarHBondContact O-N 3.33Å
83S54.6Low50.2Low59 Ų59112.4 Ų112.441%0.41364%0.638SS.*Hα-helixtrans-83-30-179.472.20000113N79 V80 L86 L87N79-S83 PolarHBondContact O-N 3.08Å; V80-S83 PolarHBondContact O-N 2.8Å; V80-S83 PolarHBondContact O-OG 2.91Å; S83-L86 PolarHBondContact O-N 3.12Å; S83-L87 WeakPolarHBondContact O-CG 3.47Å
84S53.2Low49Very low68 Ų68114.6 Ų114.648%0.47666%0.659SS.*Hα-helixtrans-67.6-34.7177.245.30000112.8V80 Q81 L86V80-S84 PolarHBondContact O-N 3.08Å; Q81-S84 PolarHBondContact O-OG 3.16Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.27Å
85D46.6Very low47.5Very low129 Ų129116.6 Ų116.669%0.6967%0.666SS**Hα-helixtrans-71.2-25.4-179.5-79.6-3.1000113.2
86L53.8Low46.4Very low122 Ų122114.6 Ų114.664%0.63966%0.66SS**Hα-helixtrans-89.5-15.8-179.2-67178.5000114.3S83 S84S83-L86 PolarHBondContact O-N 3.12Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.27Å
87L49.1Very low45.4Very low130 Ų130118.6 Ų118.668%0.68167%0.673SS**Hα-helixtrans-91-14.9-177.4-70.8172.6000113.5S83 E89S83-L87 WeakPolarHBondContact O-CG 3.47Å; L87-E89 VanDerWaalsContact C-N 3.3Å; L87-E89 PolarHBondContact O-N 3.27Å
88A44.4Very low44.1Very low88 Ų88120.4 Ų120.473%0.72768%0.682SS**THydrogen-bonded Turntrans-72.6-17.3179.200000114.1
89E42.3Very low42.8Very low173 Ų173120.7 Ų120.781%0.80869%0.691SS**THydrogen-bonded Turntrans-94.4-3.7-177-72.7-163.8149.500115.2L87L87-E89 VanDerWaalsContact C-N 3.3Å; L87-E89 PolarHBondContact O-N 3.27Å
90N43.1Very low41.7Very low136 Ų136123.1 Ų123.173%0.72771%0.713SS**  trans-124.427.2-169.9-70.4-81000114.9
91A38.6Very low40.7Very low87 Ų87128.3 Ų128.372%0.71973%0.727SS**  trans-102.566174.600000111.6
92D32.7Very low39.7Very low157 Ų157128 Ų12884%0.8474%0.736SS**  trans-157.195.2157.8-102.2-23.1000109.5
93S33.3Very low38.7Very low122 Ų122130.5 Ų130.585%0.85375%0.749SS**  trans163.8106.2142.1-76.70000113.3
94A32.9Very low38.1Very low94 Ų94133.5 Ų133.578%0.77777%0.767SS**  trans52.4106133.600000121.8
95E27.6Very low37.2Very low175 Ų175141 Ų14182%0.81879%0.787SS**  45136118.2-65.3-165.7156.800124.2
96N30.5Very low36.7Very low120 Ų120140.5 Ų140.564%0.64279%0.788SS**  trans106.4112.7136.6-83-49.7000122.3
97K33.7Very low36.1Very low181 Ų181140.9 Ų140.979%0.78780%0.798SS**  trans72.6102.9133-70.7-179.5-177.9-178.60123.6
98E29.6Very low35.7Very low197 Ų197140.8 Ų140.892%0.92180%0.803SS**  46.2129.6107.7-152.9166.1-150.400121.7
99G29.2Very low35.6Very low78 Ų78142.7 Ų142.780%0.80481%0.808SS**  trans170.392.5164.400000116
100S33.5Very low35.5Very low109 Ų109138.1 Ų138.176%0.76281%0.807SS**  trans-63.8155.4171.461.70000115
101K35.9Very low35.9Very low205 Ų205137.4 Ų137.489%0.89180%0.803SS**  -179.2119.1129.4-96.4159.7-167.5-176.50113.2
102T33.1Very low36.7Very low139 Ų139139.2 Ų139.285%0.85381%0.808SS**  trans-82.2148.5164.633.20000111.6
103L36.3Very low37.6Very low172 Ų172140.6 Ų140.690%0.90181%0.809SS**  trans-126.9133.5163-71.7175000110.2
104P40.7Very low38.5Very low122 Ų122139.2 Ų139.279%0.79280%0.8SS**  trans-95136.6174.334.2-27.9000111
105Y34.4Very low39.6Very low226 Ų226140.7 Ų140.789%0.88679%0.793SS**  trans-125.7120.5170-140.2-93.5000110.3
106T35.5Very low40.8Very low117 Ų117135.1 Ų135.172%0.71878%0.777SS**PPolyproline II helixtrans-83.7139.4173.837.20000110.2
107P41.7Very low41.8Very low130 Ų130136.3 Ų136.384%0.84479%0.791SS**PPolyproline II helixtrans-89.2122.117731.9-29.1000111.2
108T41.1Very low43Very low129 Ų129131.3 Ų131.379%0.79179%0.791SS**PPolyproline II helixtrans-92.4151.9164.615.60000110.3
109P41.3Very low44.1Very low128 Ų128130.8 Ų130.883%0.83178%0.782SS**PPolyproline II helixtrans-77131.8-16526.2-25.4000112.9
110G40.6Very low45.1Very low77 Ų77130.9 Ų130.979%0.79478%0.783SS**PPolyproline II helixtrans-81.3142.1-169.600000115.5
111N51.1Low46.6Very low121 Ų121128.4 Ų128.465%0.64778%0.775SS**PPolyproline II helixtrans-88.9125.9164.7-175.20.9000108.6E113 S114N111-E113 VanDerWaalsContact C-N 3.25Å; N111-E113 PolarHBondContact O-N 3.25Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-S114 PolarHBondContact O-N 3.5Å
112P55.5Low48.1Very low125 Ų125124 Ų12481%0.81277%0.767SS**THydrogen-bonded Turntrans-70.9-2.7-167.425.9-36000116.9
113E53Low49.5Very low186 Ų186124.2 Ų124.287%0.86976%0.762SS**THydrogen-bonded Turntrans-104-3.7177.3-70.1-146.615100114.9N111 I115N111-E113 VanDerWaalsContact C-N 3.25Å; N111-E113 PolarHBondContact O-N 3.25Å; N111-E113 VanDerWaalsContact O-N 3.11Å; E113-I115 PolarHBondContact O-N 2.87Å
114S52Low50.7Low93 Ų93124.7 Ų124.765%0.6576%0.757SS**  trans-98.472179.81660000110.7N111N111-S114 PolarHBondContact O-N 3.5Å
115I56.4Low51.7Low124 Ų124126.2 Ų126.264%0.63676%0.759SS**  trans-69139.8161.6-59.4171.8000107.1E113E113-I115 PolarHBondContact O-N 2.87Å
116A51.7Low53Low59 Ų59119.8 Ų119.849%0.48874%0.743SS.*  trans-41.3144-172.700000114G118 Y119A116-G118 PolarHBondContact O-N 2.69Å; A116-Y119 PolarHBondContact O-N 3.38Å; A116-Y119 VanDerWaalsContact O-N 3.1Å
117P51.9Low54.5Low145 Ų145119.3 Ų119.394%0.94274%0.742SS**THydrogen-bonded Turntrans-51.5111.3177.4-22.731.3000110.4
118G57.8Low55.5Low76 Ų76117.3 Ų117.378%0.78474%0.736SS**THydrogen-bonded Turntrans123.6-9.3-177.300000115.9A116A116-G118 PolarHBondContact O-N 2.69Å
119Y53.3Low56.5Low185 Ų185117.7 Ų117.773%0.72573%0.729SS**  trans-119.363.9175.2-78.3-90.1000111.1A116A116-Y119 PolarHBondContact O-N 3.38Å; A116-Y119 VanDerWaalsContact O-N 3.1Å
120G50.3Low57.6Low80 Ų80117.8 Ų117.883%0.82573%0.727SS**  trans-94.896.5172.700000111.4
121G64.6Low58.2Low58 Ų58121 Ų12160%0.59872%0.72SS**SBendtrans68.2172.9165.300000117L123G121-L123 PolarHBondContact O-N 3.2Å
122P67.3Low58.2Low111 Ų111121.1 Ų121.172%0.72172%0.72SS**SBendtrans-56.8132.5178.1-20.131.2000110.2K124P122-K124 VanDerWaalsContact C-N 3.34Å; P122-K124 WeakPolarHBondContact O-CG 3.5Å; P122-K124 PolarHBondContact O-N 3.09Å
123L63.7Low58Low145 Ų145121.1 Ų121.176%0.75972%0.723SS**  trans-55.591.7176.6-107.159.8000110G121 D125 V126G121-L123 PolarHBondContact O-N 3.2Å; L123-D125 VanDerWaalsContact C-N 3.34Å; L123-V126 HydrophobicContact CB-CB 4.46Å; L123-V126 HydrophobicContact CB-CG2 4.24Å; L123-V126 HydrophobicContact CD2-CB 4.14Å; L123-V126 HydrophobicContact CD2-CG2 3.37Å; L123-V126 HydrophobicContact CG-CG2 3.79Å
124K60.2Low57.8Low182 Ų182118.5 Ų118.579%0.79172%0.72SS**SBendtrans-81.1-18.9178.1-66.5-167.6-179-1780112.7P122P122-K124 VanDerWaalsContact C-N 3.34Å; P122-K124 WeakPolarHBondContact O-CG 3.5Å; P122-K124 PolarHBondContact O-N 3.09Å
125D62.2Low57.7Low154 Ų154117.3 Ų117.382%0.82472%0.716SS**SBendtrans-107.42.5-170.5-54.9-39.8000113.6L123 P127L123-D125 VanDerWaalsContact C-N 3.34Å; D125-P127 WeakPolarHBondContact O-CD 3.14Å
126V62.2Low57.6Low90 Ų90118.2 Ų118.255%0.54572%0.72SS.*SBendtrans-85.8111.9168.5176.20000107.4L123 A128L123-V126 HydrophobicContact CB-CB 4.46Å; L123-V126 HydrophobicContact CB-CG2 4.24Å; L123-V126 HydrophobicContact CD2-CB 4.14Å; L123-V126 HydrophobicContact CD2-CG2 3.37Å; L123-V126 HydrophobicContact CG-CG2 3.79Å; V126-A128 PolarHBondContact O-N 3Å
127P66.3Low57.7Low108 Ų108120.1 Ų120.170%0.70173%0.728SS**  trans-56.2135.6173.425.2-32.4000107.5D125 E129D125-P127 WeakPolarHBondContact O-CD 3.14Å; P127-E129 PolarHBondContact O-N 2.94Å
128A63.9Low58.1Low88 Ų88121.4 Ų121.473%0.72772%0.719SS**  trans-49.9115.4175.300000107.5V126 T130V126-A128 PolarHBondContact O-N 3Å; A128-T130 PolarHBondContact O-N 3.45Å
129E62.3Low58.5Low137 Ų137120.7 Ų120.764%0.6470%0.702SS**  trans-51.5113.2176.6-176.8173.2177.500106P127 F131P127-E129 PolarHBondContact O-N 2.94Å; E129-F131 HydrophobicContact CB-CD2 3.87Å; E129-F131 HydrophobicContact CB-CE2 3.68Å; E129-F131 HydrophobicContact CB-CZ 4.4Å; E129-F131 HydrophobicContact CG-CD1 4.49Å; E129-F131 HydrophobicContact CG-CD2 3.78Å; E129-F131 HydrophobicContact CG-CE1 4.32Å; E129-F131 HydrophobicContact CG-CE2 3.58Å; E129-F131 HydrophobicContact CG-CG 4.24Å; E129-F131 HydrophobicContact CG-CZ 3.88Å; E129-F131 WeakPolarHBondContact O-CD2 3.32Å; E129-F131 PolarHBondContact O-N 2.89Å; E129-F131 WeakPolarHBondContact OE1-CE1 3.31Å; E129-F131 VanDerWaalsContact OE1-CZ 3.25Å; E129-F131 WeakPolarHBondContact OE1-CZ 3.49Å; E129-F131 WeakPolarHBondContact OE2-CE2 3.49Å; E129-F131 WeakPolarHBondContact OE2-CZ 3.49Å
130T62.8Low59.2Low129 Ų129118.9 Ų118.979%0.79169%0.694SS**  trans-73.168.8176.2570000106.6A128 N132A128-T130 PolarHBondContact O-N 3.45Å; T130-N132 PolarHBondContact O-N 3.16Å
131F53.3Low60Low145 Ų145117.8 Ų117.864%0.63667%0.668SS**  trans-49.8117.9162.9-75.7-78000105.6E129 S133E129-F131 HydrophobicContact CB-CD2 3.87Å; E129-F131 HydrophobicContact CB-CE2 3.68Å; E129-F131 HydrophobicContact CB-CZ 4.4Å; E129-F131 HydrophobicContact CG-CD1 4.49Å; E129-F131 HydrophobicContact CG-CD2 3.78Å; E129-F131 HydrophobicContact CG-CE1 4.32Å; E129-F131 HydrophobicContact CG-CE2 3.58Å; E129-F131 HydrophobicContact CG-CG 4.24Å; E129-F131 HydrophobicContact CG-CZ 3.88Å; E129-F131 WeakPolarHBondContact O-CD2 3.32Å; E129-F131 PolarHBondContact O-N 2.89Å; E129-F131 WeakPolarHBondContact OE1-CE1 3.31Å; E129-F131 VanDerWaalsContact OE1-CZ 3.25Å; E129-F131 WeakPolarHBondContact OE1-CZ 3.49Å; E129-F131 WeakPolarHBondContact OE2-CE2 3.49Å; E129-F131 WeakPolarHBondContact OE2-CZ 3.49Å; F131-S133 PolarHBondContact O-N 2.98Å
132N52.3Low60.5Low124 Ų124116.9 Ų116.966%0.66365%0.652SS**  trans-40.6104.2-170.7-56.7-69.3000111T130 T134 A135T130-N132 PolarHBondContact O-N 3.16Å; N132-T134 PolarHBondContact O-N 3.02Å; N132-A135 PolarHBondContact O-N 3.44Å
133S49.9Very low60.9Low124 Ų124114.5 Ų114.587%0.86764%0.637SS**THydrogen-bonded Turntrans-67.64.3174.9-70.30000112.9F131F131-S133 PolarHBondContact O-N 2.98Å
134T50.2Low61.5Low131 Ų131116.6 Ų116.680%0.80464%0.635SS**THydrogen-bonded Turntrans-98.6-5.117143.90000113.7N132 I136N132-T134 PolarHBondContact O-N 3.02Å; T134-I136 PolarHBondContact O-N 3.16Å; T134-I136 VanDerWaalsContact O-N 3.09Å
135A48.5Very low62.3Low68 Ų68111.3 Ų111.356%0.56261%0.613SS**  trans-82.875.3162.600000107.4N132 P137N132-A135 PolarHBondContact O-N 3.44Å; A135-P137 VanDerWaalsContact C-N 3.27Å; A135-P137 WeakPolarHBondContact O-CD 3.21Å
136I54.3Low62.8Low143 Ų143107.2 Ų107.273%0.73359%0.589SS**  trans-59.9105.4153-60.5171.3000102.7T134 K138T134-I136 PolarHBondContact O-N 3.16Å; T134-I136 VanDerWaalsContact O-N 3.09Å; I136-K138 PolarHBondContact O-N 3.33Å
137P54.1Low63.5Low100 Ų100105.5 Ų105.565%0.64958%0.584SS**  trans-56.9133.517526.8-31.1000104.7A135 S139A135-P137 VanDerWaalsContact C-N 3.27Å; A135-P137 WeakPolarHBondContact O-CD 3.21Å; P137-S139 VanDerWaalsContact C-N 3.27Å; P137-S139 WeakPolarHBondContact O-CA 3.48Å; P137-S139 PolarHBondContact O-N 3.11Å
138K60.4Low64.1Low171 Ų171102.4 Ų102.474%0.74356%0.561SS**  trans-47.2104.3170.9-66.7-177.6179.9-1760106.1D32 I136 Y140D32-K138 HydrophobicContact CB-CB 4.17Å; D32-K138 HydrophobicContact CB-CD 4.43Å; D32-K138 WeakPolarHBondContact OD2-CB 3.29Å; D32-K138 WeakPolarHBondContact OD2-CD 3.41Å; I136-K138 PolarHBondContact O-N 3.33Å; K138-Y140 PolarHBondContact O-N 3.03Å
139S66.8Low64.7Low61 Ų61102.5 Ų102.543%0.42755%0.549SS..PPolyproline II helixtrans-69.2133.2-172.341.50000105.5P137 H141P137-S139 VanDerWaalsContact C-N 3.27Å; P137-S139 WeakPolarHBondContact O-CA 3.48Å; P137-S139 PolarHBondContact O-N 3.11Å; S139-H141 PolarHBondContact O-CD2 3.02Å; S139-H141 PolarHBondContact O-N 2.8Å; S139-H141 PolarHBondContact OG-NE2 3.12Å
140Y67.3Low65.5Low147 Ų147102.3 Ų102.358%0.57655%0.552SS**PPolyproline II helixtrans-51.4118.2169.6168.5-97.5000108.1L33 K138 P143L33-Y140 WeakPolarHBondContact O-CD2 3.03Å; L33-Y140 VanDerWaalsContact O-CE2 3.27Å; L33-Y140 WeakPolarHBondContact O-CE2 3.43Å; K138-Y140 PolarHBondContact O-N 3.03Å; Y140-P143 WeakPolarHBondContact OH-CD 3.47Å
141H68.3Low66.6Low57 Ų5798.9 Ų98.926%0.26453%0.529SS..PPolyproline II helixtrans-93.3125.5172.4-76.4-73.9000108.2M31 D32 L33 S139 E145M31-H141 HydrophobicContact CB-CB 3.87Å; M31-H141 HydrophobicContact CG-CB 4.31Å; M31-H141 HydrophobicContact SD-CB 3.88Å; D32-H141 PolarHBondContact O-N 2.94Å; D32-H141 VanDerWaalsContact O-N 3.11Å; L33-H141 VanDerWaalsContact CD2-O 3.3Å; L33-H141 WeakPolarHBondContact CD2-O 3.43Å; S139-H141 PolarHBondContact O-CD2 3.02Å; S139-H141 PolarHBondContact O-N 2.8Å; S139-H141 PolarHBondContact OG-NE2 3.12Å; H141-E145 IonicContact CG-OE2 3.8Å; H141-E145 IonicContact ND1-OE2 3.01Å; H141-E145 PolarHBondContact ND1-OE2 3.31Å
142S74.4Confident68Low39 Ų3996.8 Ų96.827%0.27353%0.53SS..PPolyproline II helixtrans-68.8133.6178.4178.20000108.9W144 E145S142-W144 PolarHBondContact O-N 3.46Å; S142-W144 PolarHBondContact OG-N 2.99Å; S142-E145 WeakPolarHBondContact O-CB 3.23Å; S142-E145 PolarHBondContact O-N 3.07Å
143P74.6Confident69.4Low61 Ų6196.8 Ų96.840%0.39653%0.53SS..Hα-helixtrans-54.1-26.9171-25.432.6000113.3L33 Y140 E145 Q146L33-P143 HydrophobicContact CD2-CG 4.06Å; Y140-P143 WeakPolarHBondContact OH-CD 3.47Å; P143-E145 VanDerWaalsContact C-N 3.31Å; P143-Q146 PolarHBondContact O-N 3.12Å
144W77Confident70.8Confident190 Ų19094.6 Ų94.672%0.7251%0.508SS*.Hα-helixtrans-70.8-26.4175.6-64.796.9000113.2S142 Q146 A147 I148S142-W144 PolarHBondContact O-N 3.46Å; S142-W144 PolarHBondContact OG-N 2.99Å; W144-Q146 VanDerWaalsContact C-N 3.25Å; W144-Q146 PolarHBondContact O-N 2.82Å; W144-A147 PolarHBondContact O-N 2.89Å; W144-I148 HydrophobicContact CB-CD1 4.24Å; W144-I148 WeakPolarHBondContact O-CB 3.49Å; W144-I148 WeakPolarHBondContact O-CD1 3.32Å; W144-I148 WeakPolarHBondContact O-CG1 3.43Å; W144-I148 PolarHBondContact O-N 3.37Å
145E76.4Confident72.2Confident70 Ų7090.2 Ų90.233%0.32749%0.485SS..Hα-helixtrans-60.5-38.2176.4-163.7171.7-166.300110.5H141 S142 P143 I148 I149H141-E145 IonicContact CG-OE2 3.8Å; H141-E145 IonicContact ND1-OE2 3.01Å; H141-E145 PolarHBondContact ND1-OE2 3.31Å; S142-E145 WeakPolarHBondContact O-CB 3.23Å; S142-E145 PolarHBondContact O-N 3.07Å; P143-E145 VanDerWaalsContact C-N 3.31Å; E145-I148 PolarHBondContact O-N 2.98Å; E145-I149 HydrophobicContact CG-CD1 3.66Å; E145-I149 HydrophobicContact CG-CG1 4.44Å; E145-I149 VanDerWaalsContact O-CB 3.29Å; E145-I149 WeakPolarHBondContact O-CB 3.39Å; E145-I149 WeakPolarHBondContact O-CD1 3.37Å; E145-I149 WeakPolarHBondContact O-CG1 3.46Å; E145-I149 PolarHBondContact O-N 3.05Å
146Q73.5Confident73.7Confident69 Ų6991 Ų9132%0.32249%0.491SS..Hα-helixtrans-63.1-49.1173.7-72.3178.5-0.600112.7M31 P143 W144 I148 N150M31-Q146 HydrophobicContact CE-CB 4.43Å; M31-Q146 HydrophobicContact CE-CG 3.22Å; M31-Q146 HydrophobicContact SD-CG 3.49Å; M31-Q146 WeakPolarHBondContact SD-CG 3.28Å; M31-Q146 PolarHBondContact SD-NE2 2.92Å; P143-Q146 PolarHBondContact O-N 3.12Å; W144-Q146 VanDerWaalsContact C-N 3.25Å; W144-Q146 PolarHBondContact O-N 2.82Å; Q146-I148 VanDerWaalsContact C-N 3.27Å; Q146-I148 PolarHBondContact O-N 2.97Å; Q146-N150 WeakPolarHBondContact O-CB 3.4Å; Q146-N150 PolarHBondContact O-N 2.95Å; Q146-N150 PolarHBondContact O-ND2 3.38Å
147A77Confident74.9Confident54 Ų5488.5 Ų88.545%0.44648%0.483SS..Hα-helixtrans-63.9-36.1-178.600000111.7W144W144-A147 PolarHBondContact O-N 2.89Å
148I79.1Confident76.1Confident43 Ų4388.1 Ų88.122%0.22148%0.475CS..Hα-helixtrans-79-38.8-177.8-65.6164.9000111.7W144 E145 Q146 L154 A155 L158W144-I148 HydrophobicContact CB-CD1 4.24Å; W144-I148 WeakPolarHBondContact O-CB 3.49Å; W144-I148 WeakPolarHBondContact O-CD1 3.32Å; W144-I148 WeakPolarHBondContact O-CG1 3.43Å; W144-I148 PolarHBondContact O-N 3.37Å; E145-I148 PolarHBondContact O-N 2.98Å; Q146-I148 VanDerWaalsContact C-N 3.27Å; Q146-I148 PolarHBondContact O-N 2.97Å; I148-L154 HydrophobicContact CB-CB 4.49Å; I148-L154 HydrophobicContact CG2-CB 3.98Å; I148-A155 PolarHBondContact O-N 3.28Å; I148-A155 VanDerWaalsContact O-N 3.17Å; I148-L158 HydrophobicContact CB-CD1 4.28Å; I148-L158 HydrophobicContact CG2-CD1 3.36Å; I148-L158 HydrophobicContact CG2-CG 3.76Å
149I75.8Confident76.7Confident90 Ų9086.4 Ų86.446%0.46247%0.474SS..Hα-helixtrans-69.6-34.8179.3-71.2170.3000111.8E145 D151E145-I149 HydrophobicContact CG-CD1 3.66Å; E145-I149 HydrophobicContact CG-CG1 4.44Å; E145-I149 VanDerWaalsContact O-CB 3.29Å; E145-I149 WeakPolarHBondContact O-CB 3.39Å; E145-I149 WeakPolarHBondContact O-CD1 3.37Å; E145-I149 WeakPolarHBondContact O-CG1 3.46Å; E145-I149 PolarHBondContact O-N 3.05Å; I149-D151 VanDerWaalsContact C-N 3.29Å; I149-D151 PolarHBondContact O-N 3.46Å
150N79.9Confident77.3Confident132 Ų13291.9 Ų91.971%0.70650%0.497SS*.Hα-helixtrans-72.5-21.2-178.4-69.2-23.6000113.4Q146Q146-N150 WeakPolarHBondContact O-CB 3.4Å; Q146-N150 PolarHBondContact O-N 2.95Å; Q146-N150 PolarHBondContact O-ND2 3.38Å
151D84.9Confident77.7Confident57 Ų5794.2 Ų94.231%0.30551%0.505SS..SBendtrans-100.2112.7173.7-176.7-10.9000110.2I149 N153 L154 A155I149-D151 VanDerWaalsContact C-N 3.29Å; I149-D151 PolarHBondContact O-N 3.46Å; D151-N153 PolarHBondContact O-N 3.43Å; D151-N153 VanDerWaalsContact O-N 3.14Å; D151-N153 WeakPolarHBondContact OD1-CB 3.47Å; D151-N153 PolarHBondContact OD1-N 3.09Å; D151-L154 HydrophobicContact CB-CB 4.09Å; D151-L154 HydrophobicContact CB-CD1 3.93Å; D151-L154 HydrophobicContact CB-CG 4.05Å; D151-L154 PolarHBondContact O-N 3.33Å; D151-L154 VanDerWaalsContact O-N 3.08Å; D151-L154 WeakPolarHBondContact OD2-CG 3.3Å; D151-A155 WeakPolarHBondContact O-CB 3.39Å; D151-A155 PolarHBondContact O-N 2.88Å
152P82.8Confident78.2Confident102 Ų10298.5 Ų98.566%0.66253%0.526SS*.Hα-helixtrans-60.4-27-17825.2-34.4000113.4A156P152-A156 PolarHBondContact O-N 3.4Å
153N82.9Confident78.4Confident124 Ų124101.9 Ų101.966%0.66355%0.547SS*.Hα-helixtrans-73.6-37.5177.8-62.4-48000111.7D151D151-N153 PolarHBondContact O-N 3.43Å; D151-N153 VanDerWaalsContact O-N 3.14Å; D151-N153 WeakPolarHBondContact OD1-CB 3.47Å; D151-N153 PolarHBondContact OD1-N 3.09Å
154L79.1Confident78.8Confident78 Ų78104.1 Ų104.141%0.40856%0.56SS.*Hα-helixtrans-78.4-38.4178.4-64.5176.7000111.2I148 D151 A156 T157I148-L154 HydrophobicContact CB-CB 4.49Å; I148-L154 HydrophobicContact CG2-CB 3.98Å; D151-L154 HydrophobicContact CB-CB 4.09Å; D151-L154 HydrophobicContact CB-CD1 3.93Å; D151-L154 HydrophobicContact CB-CG 4.05Å; D151-L154 PolarHBondContact O-N 3.33Å; D151-L154 VanDerWaalsContact O-N 3.08Å; D151-L154 WeakPolarHBondContact OD2-CG 3.3Å; L154-A156 PolarHBondContact O-N 3.49Å; L154-T157 WeakPolarHBondContact O-CB 3.38Å; L154-T157 PolarHBondContact O-N 3.4Å; L154-T157 PolarHBondContact O-OG1 3.47Å
155A79.4Confident78.9Confident39 Ų3999.7 Ų99.732%0.32256%0.555SS.*Hα-helixtrans-56-37.3176.300000112.3I148 D151 T157 L158I148-A155 PolarHBondContact O-N 3.28Å; I148-A155 VanDerWaalsContact O-N 3.17Å; D151-A155 WeakPolarHBondContact O-CB 3.39Å; D151-A155 PolarHBondContact O-N 2.88Å; A155-T157 PolarHBondContact O-N 3.32Å; A155-L158 PolarHBondContact O-N 2.84Å
156A79.1Confident79.1Confident84 Ų84104.6 Ų104.669%0.69458%0.578SS**THydrogen-bonded Turntrans-66.3-18.2176.600000114.1P152 L154P152-A156 PolarHBondContact O-N 3.4Å; L154-A156 PolarHBondContact O-N 3.49Å
157T79.4Confident79.4Confident90 Ų90107.5 Ų107.555%0.55260%0.603SS**THydrogen-bonded Turntrans-89-13.2179.969.50000113.7L154 A155 N159L154-T157 WeakPolarHBondContact O-CB 3.38Å; L154-T157 PolarHBondContact O-N 3.4Å; L154-T157 PolarHBondContact O-OG1 3.47Å; A155-T157 PolarHBondContact O-N 3.32Å; T157-N159 PolarHBondContact O-N 3.21Å; T157-N159 PolarHBondContact O-ND2 2.77Å
158L79.1Confident79.1Confident92 Ų92115.7 Ų115.748%0.48262%0.623SS.*  trans-70.392.7178.5-94.7169.6000110.9I148 A155 I160I148-L158 HydrophobicContact CB-CD1 4.28Å; I148-L158 HydrophobicContact CG2-CD1 3.36Å; I148-L158 HydrophobicContact CG2-CG 3.76Å; A155-L158 PolarHBondContact O-N 2.84Å; L158-I160 PolarHBondContact O-N 3.33Å
159N74.6Confident79.2Confident136 Ų136119.4 Ų119.473%0.72765%0.649SS**  trans-88106.3169.6-73.9-68.4000109.6T157 R161T157-N159 PolarHBondContact O-N 3.21Å; T157-N159 PolarHBondContact O-ND2 2.77Å; N159-R161 PolarHBondContact O-N 3.23Å
160I77.9Confident79.3Confident176 Ų176123.9 Ų123.990%0.90367%0.668SS**SBendtrans-64.2-21.4177.7-62.1170000111.5L158L158-I160 PolarHBondContact O-N 3.33Å
161R77.1Confident78.9Confident196 Ų196121 Ų12174%0.7466%0.663SS**SBendtrans-101.5126.8-179-171.5177.8177.2177.1-0.2110.5N159N159-R161 PolarHBondContact O-N 3.23Å
162M77.2Confident78.6Confident147 Ų147122.4 Ų122.472%0.72468%0.675SS**PPolyproline II helixtrans-60.4129.5168.8-173.4-175.771.900109.5V164M162-V164 PolarHBondContact O-N 3.45Å
163P79.7Confident78.1Confident110 Ų110125.2 Ų125.271%0.71469%0.685SS**PPolyproline II helixtrans-59.7133.4174.823.9-31.5000109.3P165P163-P165 WeakPolarHBondContact O-CD 3.48Å
164V82.9Confident77.4Confident108 Ų108126.8 Ų126.866%0.65568%0.682SS**PPolyproline II helixtrans-68.6125.4177.6177.70000107.4M162 E166M162-V164 PolarHBondContact O-N 3.45Å; V164-E166 PolarHBondContact O-N 2.76Å
165P78.2Confident77Confident97 Ų97132.1 Ų132.163%0.6370%0.702SS**PPolyproline II helixtrans-58.1137.5175.1-20.530.9000110P163P163-P165 WeakPolarHBondContact O-CD 3.48Å
166E82.3Confident76.3Confident172 Ų172133.5 Ų133.580%0.80471%0.709SS**PPolyproline II helixtrans-58.8140.9172.9-69.5-168.416500110.3V164 R168V164-E166 PolarHBondContact O-N 2.76Å; E166-R168 PolarHBondContact O-N 3.44Å
167P79.5Confident75.6Confident130 Ų130138.3 Ų138.384%0.84472%0.715SS**  trans-60.8109.6176.624.1-31.2000108.7
168R71Confident74.9Confident227 Ų227141.5 Ų141.586%0.85773%0.729SS**  trans-69.5141.3176.2-73.3-168.9-92.3176.6-7.1109.3E166 E170E166-R168 PolarHBondContact O-N 3.44Å; R168-E170 PolarHBondContact O-N 3.04Å
169P80.6Confident74.1Confident120 Ų120147.5 Ų147.578%0.77975%0.745SS**  trans-55.9141.3171.225.1-33.1000109.3A171P169-A171 PolarHBondContact O-N 3.44Å; P169-A171 VanDerWaalsContact O-N 3.08Å
170E76.6Confident73.2Confident185 Ų185146.5 Ų146.586%0.86474%0.744SS**  trans-56.8115.8178.5-166.4167-160.900108.5R168R168-E170 PolarHBondContact O-N 3.04Å
171A73.6Confident72.2Confident72 Ų72142.1 Ų142.160%0.59573%0.734SS**  trans-64.5146.817900000108.8P169 D173P169-A171 PolarHBondContact O-N 3.44Å; P169-A171 VanDerWaalsContact O-N 3.08Å; A171-D173 PolarHBondContact O-N 3.14Å
172P78.2Confident71.3Confident85 Ų85138 Ų13855%0.55273%0.73SS**  trans-54139.4175.9-21.529.7000111.1Y174P172-Y174 VanDerWaalsContact C-N 3.31Å; P172-Y174 HydrophobicContact CB-CD2 4.31Å; P172-Y174 HydrophobicContact CB-CE2 3.8Å; P172-Y174 HydrophobicContact CG-CE2 4.02Å; P172-Y174 WeakPolarHBondContact O-CD2 3.47Å; P172-Y174 PolarHBondContact O-N 3.25Å
173D71.7Confident70.2Confident162 Ų162135.8 Ų135.887%0.86673%0.727SS**  trans-66.487.8175-88.3-23.6000110.5A171 K175A171-D173 PolarHBondContact O-N 3.14Å; D173-K175 PolarHBondContact O-N 3.09Å
174Y68.6Low69Low157 Ų157140.8 Ų140.862%0.61674%0.738SS**  trans-76.2119.2171.5-68.3-78.5000109.5P172 S176P172-Y174 VanDerWaalsContact C-N 3.31Å; P172-Y174 HydrophobicContact CB-CD2 4.31Å; P172-Y174 HydrophobicContact CB-CE2 3.8Å; P172-Y174 HydrophobicContact CG-CE2 4.02Å; P172-Y174 WeakPolarHBondContact O-CD2 3.47Å; P172-Y174 PolarHBondContact O-N 3.25Å; Y174-S176 PolarHBondContact O-N 2.64Å
175K70.2Confident68Low190 Ų190137.9 Ų137.983%0.82673%0.73SS**  trans-59.3103.9171.1-80.6-176.7179.7-78.40109.4D173 F177D173-K175 PolarHBondContact O-N 3.09Å; K175-F177 PolarHBondContact O-N 3.38Å
176S65.6Low67Low67 Ų67135.6 Ų135.647%0.46972%0.724SS.*  trans-79115.7173.353.40000110.1Y174 N178 R179Y174-S176 PolarHBondContact O-N 2.64Å; S176-N178 PolarHBondContact O-N 3.36Å; S176-N178 VanDerWaalsContact O-N 3.1Å; S176-R179 WeakPolarHBondContact OG-CG 3.35Å
177F64.6Low65.6Low186 Ų186136.6 Ų136.682%0.81673%0.726SS**THydrogen-bonded Turntrans-65.8-5.9173.3-68.7-84.9000113.3K175K175-F177 PolarHBondContact O-N 3.38Å
178N63.3Low64.4Low157 Ų157137.8 Ų137.884%0.8473%0.725SS**THydrogen-bonded Turntrans-90.74.2-177.7-68.1-22.7000114.4S176S176-N178 PolarHBondContact O-N 3.36Å; S176-N178 VanDerWaalsContact O-N 3.1Å
179R62.6Low63.6Low217 Ų217135.5 Ų135.582%0.81972%0.721SS**SBendtrans-79-28.1179.5-69.3-172.9100.8160.64.7113.8S176S176-R179 WeakPolarHBondContact OG-CG 3.35Å
180V56.1Low62.1Low116 Ų116132.8 Ų132.870%0.70371%0.709SS**  trans-157.7120.5159.3-1650000104.4T182V180-T182 VanDerWaalsContact C-N 3.29Å; V180-T182 PolarHBondContact O-N 3.14Å
181A56.1Low61.1Low84 Ų84130 Ų13069%0.69471%0.707SS**  trans-59.8103.7164.500000105.8P183A181-P183 WeakPolarHBondContact O-CD 3.37Å
182T58.8Low60.2Low108 Ų108136.2 Ų136.266%0.66372%0.715SS**  trans-76.1103.9164.9-54.70000103.7V180 F184V180-T182 VanDerWaalsContact C-N 3.29Å; V180-T182 PolarHBondContact O-N 3.14Å; T182-F184 PolarHBondContact O-N 3.43Å; T182-F184 VanDerWaalsContact O-N 3.17Å
183P53.5Low59Low102 Ų102137.3 Ų137.366%0.66273%0.725SS**  trans-59.6129176.529-32.5000106.2A181 G185A181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-G185 PolarHBondContact O-N 3.2Å
184F55.6Low57.8Low214 Ų214135.1 Ų135.194%0.93972%0.722SS**SBendtrans-18.498.7-173.7-62.5-86.6000115.3T182T182-F184 PolarHBondContact O-N 3.43Å; T182-F184 VanDerWaalsContact O-N 3.17Å
185G60.8Low57.1Low48 Ų48131.1 Ų131.150%0.49573%0.728SS.*SBendtrans69.4120.7174.100000112.9P183P183-G185 PolarHBondContact O-N 3.2Å
186G56.8Low56Low48 Ų48130 Ų13050%0.49573%0.73SS.*  trans-46.9157.6174.200000113.4D188 K189G186-D188 PolarHBondContact O-N 3.28Å; G186-K189 PolarHBondContact O-N 3.1Å; G186-K189 VanDerWaalsContact O-N 3.08Å
187F53.1Low55.4Low193 Ų193132.3 Ų132.385%0.84674%0.741SS**THydrogen-bonded Turntrans-47.6-13.3-169.8-88-90.4000117.1
188D55.4Low54.8Low155 Ų155130.8 Ų130.883%0.82973%0.734SS**THydrogen-bonded Turntrans-83.1-9.3-179.9-61.1-39.4000114.7G186G186-D188 PolarHBondContact O-N 3.28Å
189K54.3Low54.6Low180 Ų180131.7 Ų131.778%0.78373%0.731SS**  trans-126.416.6-174-63.2-71.2-177-178.60115.2G186 P191G186-K189 PolarHBondContact O-N 3.1Å; G186-K189 VanDerWaalsContact O-N 3.08Å; K189-P191 WeakPolarHBondContact O-CD 3.3Å
190A49.7Very low53.9Low63 Ų63127.6 Ų127.652%0.52173%0.725SS.*  trans-69.3123.5171.400000109.8R192A190-R192 VanDerWaalsContact C-N 3.27Å; A190-R192 PolarHBondContact O-N 2.97Å
191P54.3Low54Low125 Ų125126.5 Ų126.581%0.81272%0.72SS**  trans-6890.417227.1-30.7000108.3K189 S193K189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-S193 PolarHBondContact O-N 3.1Å
192R55.8Low53.9Low203 Ų203132 Ų13277%0.76673%0.731SS**  trans-66.6125.8165.5-60.3-170.5-167.198.13.7106.1A190A190-R192 VanDerWaalsContact C-N 3.27Å; A190-R192 PolarHBondContact O-N 2.97Å
193S53Low53.7Low109 Ų109133.1 Ų133.176%0.76273%0.731SS**SBendtrans70.2102.4-179.374.80000115.7P191P191-S193 PolarHBondContact O-N 3.1Å
194S46Very low54Low116 Ų116134.3 Ų134.381%0.81173%0.732SS**  166.1135.8128.7-71.30000108.5I196S194-I196 PolarHBondContact O-N 2.69Å
195G53Low54.1Low72 Ų72130.9 Ų130.974%0.74272%0.723SS**  trans-49.3132.9-166.700000115.2T197G195-T197 PolarHBondContact O-N 2.7Å
196I48.2Very low53.9Low167 Ų167134.4 Ų134.486%0.85673%0.73SS**  trans-68.295.4175.2-62.2168.6000107.9S194S194-I196 PolarHBondContact O-N 2.69Å
197T53.5Low53.6Low116 Ų116138.3 Ų138.371%0.71274%0.74SS**  trans-95.796.4160.3-36.60000105.8G195 K199G195-T197 PolarHBondContact O-N 2.7Å; T197-K199 PolarHBondContact O-N 2.81Å; T197-K199 VanDerWaalsContact O-N 3.12Å
198F51.4Low53.5Low154 Ų154136.3 Ų136.368%0.67573%0.732SS**  trans-65.2112.4-179.4-173.4-97.2000109.2L200F198-L200 HydrophobicContact CE1-CB 3.91Å; F198-L200 HydrophobicContact CE1-CD1 3.66Å; F198-L200 HydrophobicContact CE1-CG 4.41Å; F198-L200 HydrophobicContact CZ-CD1 3.79Å
199K57.8Low53.4Low176 Ų176135 Ų13577%0.76573%0.725SS**  trans-105.6113.1163.6-66.6-67.5177.7178.40106.5T197 P201T197-K199 PolarHBondContact O-N 2.81Å; T197-K199 VanDerWaalsContact O-N 3.12Å; K199-P201 VanDerWaalsContact O-CD 3.31Å; K199-P201 WeakPolarHBondContact O-CD 3.31Å
200L48.5Very low53.3Low131 Ų131132.6 Ų132.669%0.68671%0.712SS**  trans-62.6120.1176.3-17272.3000108.1F198 E202F198-L200 HydrophobicContact CE1-CB 3.91Å; F198-L200 HydrophobicContact CE1-CD1 3.66Å; F198-L200 HydrophobicContact CE1-CG 4.41Å; F198-L200 HydrophobicContact CZ-CD1 3.79Å; L200-E202 PolarHBondContact O-N 2.57Å
201P57.6Low53.6Low92 Ų92133.8 Ų133.860%0.59772%0.717SS**  trans-64.9133.2172.1-18.832.3000109.4K199 I203K199-P201 VanDerWaalsContact O-CD 3.31Å; K199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-I203 PolarHBondContact O-N 3.27Å
202E54.9Low53.6Low200 Ų200134.3 Ų134.394%0.93571%0.708SS**  trans-66.4104174.6-156.3167.7-15500107.9L200 D204L200-E202 PolarHBondContact O-N 2.57Å; E202-D204 PolarHBondContact O-N 3.5Å
203I54.9Low53.5Low131 Ų131131.9 Ų131.967%0.67271%0.71SS**  trans-82.8112.2179.6-76.4149.3000107.1P201 L205P201-I203 PolarHBondContact O-N 3.27Å; I203-L205 PolarHBondContact O-N 3.43Å
204D60.2Low53.5Low127 Ų127132.7 Ų132.768%0.67970%0.702SS**  trans-66.8111.8172.2-163.7-3.6000108.8E202 N206E202-D204 PolarHBondContact O-N 3.5Å; D204-N206 PolarHBondContact O-N 3.41Å; D204-N206 VanDerWaalsContact O-N 3.09Å; D204-N206 PolarHBondContact OD1-ND2 3.16Å
205L56.4Low53.7Low142 Ų142132.1 Ų132.174%0.74369%0.689SS**  trans-76.115-174.2-83.5155.4000113.5I203 L207I203-L205 PolarHBondContact O-N 3.43Å; L205-L207 HydrophobicContact CD2-CD1 4.31Å; L205-L207 PolarHBondContact O-N 3.01Å
206N57.1Low53.8Low122 Ų122134.1 Ų134.165%0.65269%0.689SS**  trans-72.368.8170-75-64.6000110D204 H208D204-N206 PolarHBondContact O-N 3.41Å; D204-N206 VanDerWaalsContact O-N 3.09Å; D204-N206 PolarHBondContact OD1-ND2 3.16Å; N206-H208 PolarHBondContact O-N 3.25Å; N206-H208 VanDerWaalsContact O-N 3.07Å
207L51.1Low54Low131 Ų131129.3 Ų129.369%0.68668%0.681SS**  trans-52.8116.5166.6-87.992.8000107.2L205 N209L205-L207 HydrophobicContact CD2-CD1 4.31Å; L205-L207 PolarHBondContact O-N 3.01Å; L207-N209 PolarHBondContact O-N 2.98Å; L207-N209 VanDerWaalsContact O-N 3.16Å
208H50.2Low54Low150 Ų150129.1 Ų129.169%0.69468%0.679SS**  trans-53126.3167.8-79.446.4000107.4N206 Y210N206-H208 PolarHBondContact O-N 3.25Å; N206-H208 VanDerWaalsContact O-N 3.07Å; H208-Y210 VanDerWaalsContact C-N 3.34Å; H208-Y210 WeakPolarHBondContact O-CD2 3.46Å; H208-Y210 VanDerWaalsContact O-CE2 3.28Å; H208-Y210 WeakPolarHBondContact O-CE2 3.5Å; H208-Y210 PolarHBondContact O-N 3.38Å
209N53.4Low54.3Low127 Ų127128.4 Ų128.468%0.67968%0.676SS**  trans-65.694.4-177.1-160.45.8000108.5L207 S211 Q214L207-N209 PolarHBondContact O-N 2.98Å; L207-N209 VanDerWaalsContact O-N 3.16Å; N209-S211 PolarHBondContact O-N 3.22Å; N209-Q214 PolarHBondContact OD1-NE2 2.99Å
210Y51.7Low54.2Low131 Ų131130.1 Ų130.151%0.51468%0.677SS.*  trans-72.492.2-178.3-65.4-78.3000109.3H208 E212 L213H208-Y210 VanDerWaalsContact C-N 3.34Å; H208-Y210 WeakPolarHBondContact O-CD2 3.46Å; H208-Y210 VanDerWaalsContact O-CE2 3.28Å; H208-Y210 WeakPolarHBondContact O-CE2 3.5Å; H208-Y210 PolarHBondContact O-N 3.38Å; Y210-E212 PolarHBondContact O-N 3.01Å; Y210-L213 PolarHBondContact O-N 3.14Å; Y210-L213 VanDerWaalsContact O-N 3.11Å
211S56.8Low54.7Low87 Ų87130 Ų13061%0.60869%0.685SS**G310 helixtrans-61.7-25.2-179.7-660000112.5N209 L213 Q214N209-S211 PolarHBondContact O-N 3.22Å; S211-L213 PolarHBondContact O-N 3.41Å; S211-Q214 PolarHBondContact O-N 2.94Å; S211-Q214 VanDerWaalsContact O-N 3.1Å
212E55Low54.8Low137 Ų137129.5 Ų129.564%0.6468%0.68SS**G310 helixtrans-67.6-21176.5-62131.7-177.100113.6Y210Y210-E212 PolarHBondContact O-N 3.01Å
213L51.9Low55Low152 Ų152129.6 Ų129.680%0.79668%0.678SS**G310 helixtrans-88.5-11174.2-65.9178000112.8Y210 S211Y210-L213 PolarHBondContact O-N 3.14Å; Y210-L213 VanDerWaalsContact O-N 3.11Å; S211-L213 PolarHBondContact O-N 3.41Å
214Q54Low55.6Low126 Ų126130.9 Ų130.959%0.58969%0.686SS**  trans-94.41178.4-65.9-165.426.200113.2N209 S211 P216N209-Q214 PolarHBondContact OD1-NE2 2.99Å; S211-Q214 PolarHBondContact O-N 2.94Å; S211-Q214 VanDerWaalsContact O-N 3.1Å; Q214-P216 WeakPolarHBondContact O-CD 3.37Å
215D49.6Very low55.9Low104 Ų104132.4 Ų132.456%0.55668%0.682SS**  trans-62.2108.8-177.6-161.40.6000110.4G217D215-G217 PolarHBondContact O-N 3.46Å
216P55Low56.5Low113 Ų113131.8 Ų131.873%0.73468%0.684SS**THydrogen-bonded Turntrans-70.7-11.8-175.5-2.616.3000112.4Q214Q214-P216 WeakPolarHBondContact O-CD 3.37Å
217G53.9Low56.7Low66 Ų66131 Ų13168%0.6870%0.695SS**THydrogen-bonded Turntrans-76.1-20.9-173.900000114.9D215D215-G217 PolarHBondContact O-N 3.46Å
218V53.2Low57Low112 Ų112130 Ų13068%0.67969%0.686SS**  trans-12681.7-179.5-169.40000108.9R220V218-R220 PolarHBondContact O-N 2.94Å
219K58.1Low57.5Low140 Ų140125.3 Ų125.361%0.60968%0.679SS**  trans-61.480.4169.2-66-170.6-176.3-175.50109.1P221 D233K219-P221 WeakPolarHBondContact O-CD 3.46Å; K219-D233 IonicContact NZ-OD2 2.9Å; K219-D233 PolarHBondContact NZ-OD2 3.5Å
220R54.9Low57.6Low211 Ų211132.1 Ų132.180%0.79670%0.695SS**  trans-58.8124.1172.8-154.9178-166.6-116.23.4106.8V218 T222V218-R220 PolarHBondContact O-N 2.94Å; R220-T222 PolarHBondContact O-N 3.45Å
221P59.2Low57.5Low130 Ų130131.5 Ų131.584%0.84470%0.7SS**  trans-62.8101.9179.8-23.233.8000109.7K219K219-P221 WeakPolarHBondContact O-CD 3.46Å
222T59.1Low57.2Low80 Ų80131.8 Ų131.849%0.49170%0.702SS.*  trans-89.2117.8173.655.30000108.2R220 N224 R225R220-T222 PolarHBondContact O-N 3.45Å; T222-N224 PolarHBondContact O-N 3.15Å; T222-N224 VanDerWaalsContact O-N 3.1Å; T222-R225 PolarHBondContact O-N 2.85Å
223F59.5Low57.5Low203 Ų203130 Ų13089%0.8970%0.696SS**THydrogen-bonded Turntrans-62.5-14.8177.5-172.5-99.6000113.4R225F223-R225 PolarHBondContact O-N 3.36Å
224N67.1Low57.8Low157 Ų157126.2 Ų126.284%0.8469%0.694SS**THydrogen-bonded Turntrans-91.416-178.3-62-20.3000114.2T222T222-N224 PolarHBondContact O-N 3.15Å; T222-N224 VanDerWaalsContact O-N 3.1Å
225R67.3Low57.8Low160 Ų160126.5 Ų126.560%0.60470%0.698SS**SBendtrans-97.4137.7173.9-92.5-178.4158.3-166.9-4.8110.8T222 F223T222-R225 PolarHBondContact O-N 2.85Å; F223-R225 PolarHBondContact O-N 3.36Å
226V67.6Low57.9Low128 Ų128126.8 Ų126.878%0.77671%0.706SS**  trans-54.9139164.5-86.50000109.3Q228V226-Q228 PolarHBondContact O-N 3.28Å
227A61.3Low57.8Low107 Ų107128 Ų12888%0.88471%0.705SS**  trans-58.998.8179.800000109.9G229A227-G229 PolarHBondContact O-N 2.95Å
228Q58.8Low58Low109 Ų109132.2 Ų132.251%0.50971%0.711SS.*  trans-74.3119.3162.9-72174.4-35.500105V226V226-Q228 PolarHBondContact O-N 3.28Å
229G60.7Low58.1Low52 Ų52133.4 Ų133.454%0.53671%0.713SS.*  trans-58.8-167.1177.700000112.4A227 I231A227-G229 PolarHBondContact O-N 2.95Å; G229-I231 PolarHBondContact O-N 2.93Å
230W54.9Low57.8Low269 Ų269132 Ų132100%1.01972%0.717SS**SBendtrans-7447.6-179.3-67.149.3000112.5
231I50.1Low57.8Low119 Ų119128.1 Ų128.161%0.6172%0.718SS**  trans-91.3108.1172.857174.2000107.5G229 D233G229-I231 PolarHBondContact O-N 2.93Å; I231-D233 PolarHBondContact O-N 2.86Å; I231-D233 VanDerWaalsContact O-N 3.1Å
232S50.5Low57.7Low93 Ų93127.3 Ų127.365%0.6571%0.71SS**  trans-67105.7170.2-56.50000107.9G234S232-G234 PolarHBondContact O-N 3.2Å
233D61.3Low57.5Low99 Ų99129 Ų12953%0.52972%0.722SS.*THydrogen-bonded Turntrans-61.1103.8170.4-63-37.5000109K219 I231K219-D233 IonicContact NZ-OD2 2.9Å; K219-D233 PolarHBondContact NZ-OD2 3.5Å; I231-D233 PolarHBondContact O-N 2.86Å; I231-D233 VanDerWaalsContact O-N 3.1Å
234G57.3Low57.4Low72 Ų72127 Ų12774%0.74272%0.72SS**THydrogen-bonded Turntrans112.45.1149.400000119.7S232S232-G234 PolarHBondContact O-N 3.2Å
235I54Low57.4Low132 Ų132127.9 Ų127.968%0.67772%0.719SS**  trans-140.3118.2167.6-52.3175.3000108.6L237I235-L237 PolarHBondContact O-N 3.41Å
236P52.7Low57Low111 Ų111125.9 Ų125.972%0.72173%0.726SS**  trans-64.7107167.127.2-30.3000107.4I238P236-I238 VanDerWaalsContact C-N 3.27Å; P236-I238 PolarHBondContact O-N 2.98Å
237L52.5Low56.6Low137 Ų137127.8 Ų127.872%0.71773%0.729SS**  trans-64.198.2163.2-71.9169.7000106.2I235 L239I235-L237 PolarHBondContact O-N 3.41Å; L237-L239 PolarHBondContact O-N 3.24Å
238I58Low56.6Low156 Ų156128.4 Ų128.480%0.872%0.724SS**  trans-68.186.7165.4-56.8172.4000105.2P236P236-I238 VanDerWaalsContact C-N 3.27Å; P236-I238 PolarHBondContact O-N 2.98Å
239L54.6Low56.7Low137 Ų137130.4 Ų130.472%0.71774%0.737SS**  trans-63.7129.3164.1-75.7163.1000106.5L237 T241L237-L239 PolarHBondContact O-N 3.24Å; L239-T241 PolarHBondContact O-N 3.07Å
240P51.6Low57Low109 Ų109133.4 Ų133.471%0.70875%0.747SS**  trans-54.3115168.9-19.129.5000107.6V242P240-V242 VanDerWaalsContact C-N 3.31Å; P240-V242 PolarHBondContact O-N 3.07Å
241T56.6Low57.3Low131 Ų131129.6 Ų129.680%0.80474%0.74SS**  trans-61.7100.7168-58.80000106.3L239 P243L239-T241 PolarHBondContact O-N 3.07Å; T241-P243 WeakPolarHBondContact O-CD 3.43Å
242V55.5Low57.9Low113 Ų113129.4 Ų129.469%0.68575%0.749SS**  trans-67.8114.5167.7179.40000105.5P240 L244P240-V242 VanDerWaalsContact C-N 3.31Å; P240-V242 PolarHBondContact O-N 3.07Å; V242-L244 PolarHBondContact O-N 3.14Å
243P55.5Low58.5Low114 Ų114132.5 Ų132.574%0.7476%0.759SS**  trans-63.3110.7171.626.5-31.5000107.2T241 E245T241-P243 WeakPolarHBondContact O-CD 3.43Å; P243-E245 PolarHBondContact O-N 3.14Å
244L57.2Low58.3Low162 Ų162135.8 Ų135.885%0.84878%0.776SS**  trans-69.7100166.9-75.4166.1000106.4V242 P246V242-L244 PolarHBondContact O-N 3.14Å; L244-P246 WeakPolarHBondContact O-CD 3.44Å
245E66.9Low57.7Low176 Ų176143.8 Ų143.882%0.82280%0.801SS**  trans-60.7123.4166.2-156.6179.3-155.200107.1P243 M247P243-E245 PolarHBondContact O-N 3.14Å; E245-M247 PolarHBondContact O-N 2.98Å
246P60.1Low57.9Low117 Ų117144.4 Ų144.476%0.7681%0.807SS**  trans-65.9105.3179.425.3-31.5000108.4L244 P248L244-P246 WeakPolarHBondContact O-CD 3.44Å; P246-P248 WeakPolarHBondContact O-CD 3.49Å
247M58.6Low58.2Low168 Ų168146.1 Ų146.183%0.82881%0.811SS**  trans-62.1124.4167.9-76.8-152-6400108.3E245 I249E245-M247 PolarHBondContact O-N 2.98Å; M247-I249 PolarHBondContact O-N 3.2Å
248P60.4Low58.5Low121 Ų121146.6 Ų146.679%0.78682%0.817SS**  trans-65.9111.7172.126.6-31.1000107.9P246 P250P246-P248 WeakPolarHBondContact O-CD 3.49Å; P248-P250 WeakPolarHBondContact O-CD 3.28Å
249I62.7Low58.5Low151 Ų151146.1 Ų146.177%0.77482%0.818SS**  trans-64.8119.8168.5-59.7166.3000105.7M247 E251M247-I249 PolarHBondContact O-N 3.2Å; I249-E251 PolarHBondContact O-N 2.99Å; I249-E251 VanDerWaalsContact O-N 3.14Å
250P66Low58.8Low114 Ų114146.6 Ų146.674%0.7482%0.824SS**  trans-66.7116169.85.25.5000107.3P248 S252P248-P250 WeakPolarHBondContact O-CD 3.28Å; P250-S252 PolarHBondContact O-N 3.36Å
251E62.3Low59.2Low189 Ų189149.1 Ų149.188%0.88383%0.832SS**  trans-58.6106.7167.2-70.3179.3163.400107.6I249 D253I249-E251 PolarHBondContact O-N 2.99Å; I249-E251 VanDerWaalsContact O-N 3.14Å; E251-D253 VanDerWaalsContact C-N 3.35Å; E251-D253 PolarHBondContact O-N 3.15Å; E251-D253 VanDerWaalsContact O-N 3.16Å
252S61.2Low59.4Low115 Ų115150.4 Ų150.480%0.80483%0.834SS**  trans-77.391.916653.20000107.6P250 D254P250-S252 PolarHBondContact O-N 3.36Å; S252-D254 PolarHBondContact O-N 3.38Å
253D63.6Low59.7Low159 Ų159153.3 Ų153.385%0.8585%0.845SS**  trans-66.2103.3156.2-109-17.2000107.1E251E251-D253 VanDerWaalsContact C-N 3.35Å; E251-D253 PolarHBondContact O-N 3.15Å; E251-D253 VanDerWaalsContact O-N 3.16Å
254D57.2Low60.1Low168 Ų168156.6 Ų156.690%0.89885%0.854SS**  trans-144129.2155.2-117.8-11.3000109.4S252S252-D254 PolarHBondContact O-N 3.38Å
255L44.9Very low60.4Low239 Ų239156.1 Ų156.1100%1.25185%0.854SS**  trans-102.80-167.2-139.9150.3000109.8

Retrieved 255 of 255 residues in 1039.5 ms (Link to these results)