A0A061AJI4_CAEEL Loading...

DDB1- and CUL4-associated factor homolog 1

AlphaFold DB , UniProt , Accession A0A061AJI4, Species CAEEL (Caenorhabditis elegans), Gene dcaf-1, Length 188 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
1M54.4Low74.7Confident217 Ų21788.4 Ų88.4100%1.06953%0.53SS*.  0-30.30-82.7175.7170.300112.4
2G62.3Low75.1Confident41 Ų4186.8 Ų86.842%0.42352%0.521SS..Hα-helixtrans-49-59.6173.600000114.1A4 I5 D6G2-A4 VanDerWaalsContact C-N 3.27Å; G2-A4 PolarHBondContact O-N 3.05Å; G2-I5 WeakPolarHBondContact O-CA 3.35Å; G2-I5 WeakPolarHBondContact O-CB 3.29Å; G2-I5 PolarHBondContact O-N 3.17Å; G2-D6 PolarHBondContact O-N 3.44Å; G2-D6 VanDerWaalsContact O-OD2 3.12Å
3A71.1Confident75.6Confident65 Ų6580.4 Ų80.454%0.53748%0.483SS..Hα-helixtrans-46.3-40.4-174.100000116I5 D6 D7A3-I5 VanDerWaalsContact C-N 3.3Å; A3-I5 PolarHBondContact O-N 3.37Å; A3-D6 VanDerWaalsContact CA-OD2 3.31Å; A3-D6 WeakPolarHBondContact CA-OD2 3.48Å; A3-D6 PolarHBondContact N-OD2 3.35Å; A3-D6 VanDerWaalsContact N-OD2 3.17Å; A3-D6 PolarHBondContact O-N 3.43Å; A3-D7 WeakPolarHBondContact O-CB 3.47Å; A3-D7 PolarHBondContact O-N 3.23Å
4A79.1Confident75.6Confident72 Ų7285.5 Ų85.560%0.59550%0.499SS*.Hα-helixtrans-75.1-17.1179.700000114.2G2G2-A4 VanDerWaalsContact C-N 3.27Å; G2-A4 PolarHBondContact O-N 3.05Å
5I74.3Confident75.5Confident106 Ų10690.7 Ų90.754%0.54452%0.517SS..Hα-helixtrans-85.3-42.1169.6-59.3171.3000108.7G2 A3 L8 V9G2-I5 WeakPolarHBondContact O-CA 3.35Å; G2-I5 WeakPolarHBondContact O-CB 3.29Å; G2-I5 PolarHBondContact O-N 3.17Å; A3-I5 VanDerWaalsContact C-N 3.3Å; A3-I5 PolarHBondContact O-N 3.37Å; I5-L8 PolarHBondContact O-N 2.81Å; I5-L8 VanDerWaalsContact O-N 3.16Å; I5-V9 HydrophobicContact CG2-CG2 4.38Å; I5-V9 WeakPolarHBondContact O-CG2 3.36Å; I5-V9 PolarHBondContact O-N 3.35Å
6D79.1Confident75.3Confident91 Ų9188.5 Ų88.549%0.48751%0.505SS..Hα-helixtrans-59.4-48.6176-51.5-40.9000110.4G2 A3 L8 V9 D10G2-D6 PolarHBondContact O-N 3.44Å; G2-D6 VanDerWaalsContact O-OD2 3.12Å; A3-D6 VanDerWaalsContact CA-OD2 3.31Å; A3-D6 WeakPolarHBondContact CA-OD2 3.48Å; A3-D6 PolarHBondContact N-OD2 3.35Å; A3-D6 VanDerWaalsContact N-OD2 3.17Å; A3-D6 PolarHBondContact O-N 3.43Å; D6-L8 VanDerWaalsContact C-N 3.25Å; D6-L8 PolarHBondContact O-N 2.73Å; D6-V9 PolarHBondContact O-N 3.12Å; D6-V9 VanDerWaalsContact O-N 3.15Å; D6-D10 WeakPolarHBondContact O-CB 3.33Å; D6-D10 PolarHBondContact O-N 3.19Å
7D79.4Confident74.8Confident111 Ų11188.5 Ų88.559%0.59450%0.504SS*.Hα-helixtrans-55.7-36.7174.2-66.1-26.8000112.6A3 A11A3-D7 WeakPolarHBondContact O-CB 3.47Å; A3-D7 PolarHBondContact O-N 3.23Å; D7-A11 WeakPolarHBondContact O-CB 3.3Å; D7-A11 PolarHBondContact O-N 3.22Å; D7-A11 VanDerWaalsContact O-N 3.13Å
8L80.4Confident74Confident112 Ų11289.4 Ų89.459%0.58650%0.503SS*.Hα-helixtrans-76.2-39.1179-17966.2000111.7I5 D6 D10 A11 V12I5-L8 PolarHBondContact O-N 2.81Å; I5-L8 VanDerWaalsContact O-N 3.16Å; D6-L8 VanDerWaalsContact C-N 3.25Å; D6-L8 PolarHBondContact O-N 2.73Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-A11 PolarHBondContact O-N 3.37Å; L8-V12 WeakPolarHBondContact O-CB 3.47Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.18Å; L8-V12 PolarHBondContact O-N 3.35Å
9V81.5Confident73.3Confident42 Ų4292.9 Ų92.926%0.25552%0.52SS..Hα-helixtrans-68.6-35.9176171.40000110.8I5 D6 D13I5-V9 HydrophobicContact CG2-CG2 4.38Å; I5-V9 WeakPolarHBondContact O-CG2 3.36Å; I5-V9 PolarHBondContact O-N 3.35Å; D6-V9 PolarHBondContact O-N 3.12Å; D6-V9 VanDerWaalsContact O-N 3.15Å; V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.81Å
10D78.9Confident72.6Confident70 Ų7096.8 Ų96.837%0.37453%0.534SS..Hα-helixtrans-67-42.7174.6-75.46.8000111.3D6 L8 D13 E14 R182D6-D10 WeakPolarHBondContact O-CB 3.33Å; D6-D10 PolarHBondContact O-N 3.19Å; L8-D10 VanDerWaalsContact C-N 3.34Å; D10-D13 PolarHBondContact O-N 3.25Å; D10-E14 WeakPolarHBondContact O-CB 3.47Å; D10-E14 PolarHBondContact O-N 2.76Å; D10-R182 IonicContact OD1-CZ 2.79Å; D10-R182 IonicContact OD1-NE 2.64Å; D10-R182 PolarHBondContact OD1-NE 2.91Å; D10-R182 IonicContact OD1-NH2 3.33Å; D10-R182 PolarHBondContact OD1-NH2 3.32Å; D10-R182 IonicContact OD2-NE 3.24Å
11A81.1Confident71.9Confident45 Ų4599.1 Ų99.137%0.37255%0.545SS..Hα-helixtrans-64.1-41.6174.200000112.8D7 L8 E14 E15D7-A11 WeakPolarHBondContact O-CB 3.3Å; D7-A11 PolarHBondContact O-N 3.22Å; D7-A11 VanDerWaalsContact O-N 3.13Å; L8-A11 PolarHBondContact O-N 3.37Å; A11-E14 PolarHBondContact O-N 3.11Å; A11-E15 PolarHBondContact O-N 2.85Å
12V79.3Confident71.9Confident69 Ų6990.8 Ų90.842%0.41851%0.514SS..Hα-helixtrans-67.9-34.7175170.30000111.6L8 E14 V16L8-V12 WeakPolarHBondContact O-CB 3.47Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.18Å; L8-V12 PolarHBondContact O-N 3.35Å; V12-E14 VanDerWaalsContact C-N 3.34Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 2.71Å
13D81.4Confident71.6Confident4 Ų495 Ų952%0.02153%0.532CS..Hα-helixtrans-66.7-35.1170.8-84.3-11.5000111.6V9 D10 P175 R178 R179 R182V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.81Å; D10-D13 PolarHBondContact O-N 3.25Å; D13-P175 WeakPolarHBondContact OD1-CA 3.35Å; D13-P175 WeakPolarHBondContact OD1-CB 3.39Å; D13-R178 IonicContact OD1-CZ 3.01Å; D13-R178 IonicContact OD1-NE 2.64Å; D13-R178 PolarHBondContact OD1-NE 3.12Å; D13-R178 IonicContact OD1-NH2 3.9Å; D13-R178 PolarHBondContact OD1-NH2 3.14Å; D13-R178 IonicContact OD2-CZ 2.84Å; D13-R178 IonicContact OD2-NE 2.9Å; D13-R178 PolarHBondContact OD2-NE 3.03Å; D13-R178 IonicContact OD2-NH2 3.83Å; D13-R179 PolarHBondContact O-NE 2.98Å; D13-R179 VanDerWaalsContact O-NE 3.07Å; D13-R179 PolarHBondContact O-NH2 3.21Å; D13-R182 IonicContact OD2-CZ 3.85Å; D13-R182 IonicContact OD2-NH1 2.66Å; D13-R182 PolarHBondContact OD2-NH1 2.93Å; D13-R182 IonicContact OD2-NH2 3.53Å; D13-R182 PolarHBondContact OD2-NH2 2.82Å
14E76.5Confident70.8Confident152 Ų152100.4 Ų100.471%0.7155%0.552SS**Hα-helixtrans-71.7-38.9178.4-169.6167.9-150.600112.2D10 A11 V12 V16D10-E14 WeakPolarHBondContact O-CB 3.47Å; D10-E14 PolarHBondContact O-N 2.76Å; A11-E14 PolarHBondContact O-N 3.11Å; V12-E14 VanDerWaalsContact C-N 3.34Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 2.74Å
15E73.6Confident69.6Low164 Ų16499.6 Ų99.677%0.76655%0.551SS**Hα-helixtrans-70-18.3176.7-71.7-174.5151.800114.3A11 D17A11-E15 PolarHBondContact O-N 2.85Å; E15-D17 PolarHBondContact O-N 2.83Å
16V72.8Confident68.9Low55 Ų55102.3 Ų102.333%0.33357%0.566SS.*  trans-89.478.5177.7179.10000110.3V12 E14 E18 L21 R179V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 2.71Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 2.74Å; V16-E18 PolarHBondContact O-N 3.45Å; V16-L21 HydrophobicContact CG1-CD1 3.93Å; V16-R179 PolarHBondContact O-NH1 3Å; V16-R179 PolarHBondContact O-NH2 2.83Å
17D66.3Low67.9Low89 Ų89105 Ų10548%0.47658%0.581SS.*  trans-70.6119173.7-84-28.9000111.5E15 D19 E20 L21E15-D17 PolarHBondContact O-N 2.83Å; D17-D19 PolarHBondContact O-N 2.84Å; D17-E20 PolarHBondContact O-N 3.05Å; D17-E20 VanDerWaalsContact O-N 3.12Å; D17-L21 PolarHBondContact O-N 2.7Å
18E60.9Low66.9Low104 Ų104107.8 Ų107.849%0.48660%0.596SS.*THydrogen-bonded Turntrans-65.4-19.7179.1-71.6166.3-135.800111.7V16 R179V16-E18 PolarHBondContact O-N 3.45Å; E18-R179 IonicContact OE1-CZ 2.74Å; E18-R179 IonicContact OE1-NH1 2.74Å; E18-R179 PolarHBondContact OE1-NH1 3.35Å
19D60.4Low65.8Low156 Ų156109.3 Ų109.383%0.83460%0.604SS**THydrogen-bonded Turntrans-79.9-19.5177.1-63.3-22.3000113.2D17D17-D19 PolarHBondContact O-N 2.84Å
20E58.6Low64.9Low171 Ų171112.3 Ų112.380%0.79963%0.628SS**THydrogen-bonded Turntrans-89.8-28.6173.7-174.9169.7-170.700111.9D17 G22D17-E20 PolarHBondContact O-N 3.05Å; D17-E20 VanDerWaalsContact O-N 3.12Å; E20-G22 PolarHBondContact O-N 3.44Å
21L58.6Low63.9Low145 Ų145112.1 Ų112.176%0.75964%0.642SS**SBendtrans-80.84.9173.9-84.2158.9000113.8V16 D17V16-L21 HydrophobicContact CG1-CD1 3.93Å; D17-L21 PolarHBondContact O-N 2.7Å
22G54.8Low63.2Low42 Ų42114.7 Ų114.743%0.43366%0.657SS.*SBendtrans-104.7115.2-17900000114.2E20E20-G22 PolarHBondContact O-N 3.44Å
23T55.8Low62.6Low130 Ų130122.6 Ų122.680%0.79868%0.679SS**  trans87.234.1153.9-154.60000122.4
24D54.9Low61.3Low179 Ų179133.4 Ų133.496%0.95772%0.72SS**  trans-94.3100.1142.1-69.6-27.7000107.8
25G53.7Low60.5Low55 Ų55131.4 Ų131.457%0.56772%0.718SS**  cis11048.619.900000111.4
26D59.6Low59.7Low162 Ų162128.7 Ų128.787%0.86671%0.713SS**  trans5375.5171.5-59.6-41.6000116.8
27D57.2Low59Low148 Ų148133.6 Ų133.679%0.79174%0.738SS**  trans-129.5104.6154.9-92.2-45.4000110.9D29D27-D29 PolarHBondContact O-N 2.98Å
28D58.5Low58.5Low170 Ų170134.2 Ų134.291%0.90975%0.749SS**  trans-69.853.6167.6-88.9-45000110.6S30D28-S30 PolarHBondContact O-N 3.07Å
29D57.6Low58.4Low143 Ų143135.3 Ų135.377%0.76576%0.757SS**  trans-77.468.6178.3-119.7-9.1000109.9D27 G31D27-D29 PolarHBondContact O-N 2.98Å; D29-G31 PolarHBondContact O-N 3.21Å
30S62.9Low58Low106 Ų106133.9 Ų133.974%0.74175%0.749SS**  trans-39.3109174.452.80000110.8D28 S32D28-S30 PolarHBondContact O-N 3.07Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.88Å
31G57.6Low57.9Low65 Ų65130.9 Ų130.967%0.6775%0.747SS**  trans-57.291.3-172.700000112D29 W33D29-G31 PolarHBondContact O-N 3.21Å; G31-W33 VanDerWaalsContact C-N 3.3Å; G31-W33 VanDerWaalsContact O-CD1 3.29Å; G31-W33 PolarHBondContact O-N 2.85Å
32S66.7Low58Low100 Ų100132 Ų13270%0.69975%0.748SS**  trans-70.890.8177.6-173.10000108.1S30 R34S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.88Å; S32-R34 VanDerWaalsContact C-N 3.28Å; S32-R34 PolarHBondContact O-N 3.31Å
33W65.5Low58.2Low234 Ų234136.1 Ų136.189%0.88676%0.76SS**  trans-55.6100.9161.6-70.281.6000106.7G31 T35G31-W33 VanDerWaalsContact C-N 3.3Å; G31-W33 VanDerWaalsContact O-CD1 3.29Å; G31-W33 PolarHBondContact O-N 2.85Å; W33-T35 PolarHBondContact O-N 3Å
34R55.6Low58.4Low232 Ų232136.6 Ų136.688%0.87576%0.757SS**  trans-67.274.6167.1-74.8-178.9135.5101.4-1.1108.1S32S32-R34 VanDerWaalsContact C-N 3.28Å; S32-R34 PolarHBondContact O-N 3.31Å
35T58Low58.7Low109 Ų109131.6 Ų131.667%0.66973%0.73SS**  trans-53.5149.3153.458.80000107.4W33 N37W33-T35 PolarHBondContact O-N 3Å; T35-N37 PolarHBondContact O-N 3.5Å
36T57.9Low58.8Low108 Ų108135.7 Ų135.766%0.66374%0.738SS**  trans-71.871.4-175.847.60000110.8S38 I39T36-S38 PolarHBondContact O-N 2.86Å; T36-I39 PolarHBondContact O-N 3.45Å
37N58.3Low59.1Low158 Ų158135.8 Ų135.885%0.84574%0.739SS**THydrogen-bonded Turntrans-75.257.4177-170.866.1000111.1T35T35-N37 PolarHBondContact O-N 3.5Å
38S55.3Low59.1Low102 Ų102134.4 Ų134.471%0.71373%0.731SS**THydrogen-bonded Turntrans-168.738.4163.8-170.90000109.5T36 D40T36-S38 PolarHBondContact O-N 2.86Å; S38-D40 PolarHBondContact O-N 2.95Å
39I59.3Low59.3Low127 Ų127131.3 Ų131.365%0.65171%0.714SS**SBendtrans-72.3109.3148-66.8169.7000103.3T36 S41T36-I39 PolarHBondContact O-N 3.45Å; I39-S41 PolarHBondContact O-N 3.42Å
40D52.5Low59.4Low125 Ų125130.1 Ų130.167%0.66871%0.708SS**  trans-54.1138.3177.1-108.3-44.9000108.7S38 E42S38-D40 PolarHBondContact O-N 2.95Å; D40-E42 HydrophobicContact CB-CG 4.5Å; D40-E42 PolarHBondContact O-N 3.13Å
41S56.2Low59.3Low109 Ų109131.3 Ų131.376%0.76270%0.701SS**  trans-78.341.9-173.4-46.70000111.7I39 D43I39-S41 PolarHBondContact O-N 3.42Å; S41-D43 PolarHBondContact O-N 3.15Å
42E60.1Low59.3Low168 Ų168134.8 Ų134.879%0.78570%0.7SS**  trans-77.767.7169.1-67-178.6142.400108.4D40 I44D40-E42 HydrophobicContact CB-CG 4.5Å; D40-E42 PolarHBondContact O-N 3.13Å; E42-I44 PolarHBondContact O-N 3.48Å; E42-I44 VanDerWaalsContact O-N 3.11Å
43D58.5Low59Low128 Ų128136.4 Ų136.468%0.68470%0.697SS**  trans23.177.7152-68.2-28.5000115.5S41 N45S41-D43 PolarHBondContact O-N 3.15Å; D43-N45 PolarHBondContact O-N 3.22Å
44I61.4Low58.8Low140 Ų140127.9 Ų127.972%0.71868%0.676SS**  trans-70.981.4152.1-53.7174.6000105.8E42 L46E42-I44 PolarHBondContact O-N 3.48Å; E42-I44 VanDerWaalsContact O-N 3.11Å; I44-L46 PolarHBondContact O-N 3.1Å
45N59.9Low59Low74 Ų74123.2 Ų123.240%0.39666%0.659SS.*  trans-59.9101.1176.9-75.2-26000108.8D43 D47 D48 L49D43-N45 PolarHBondContact O-N 3.22Å; N45-D47 PolarHBondContact O-N 3.21Å; N45-D47 VanDerWaalsContact O-N 3.15Å; N45-D48 HydrophobicContact CB-CB 3.77Å; N45-D48 WeakPolarHBondContact CB-OD2 3.36Å; N45-D48 PolarHBondContact ND2-OD2 3.35Å; N45-D48 PolarHBondContact O-N 2.9Å; N45-L49 PolarHBondContact O-N 2.76Å
46L57Low59Low142 Ų142121.3 Ų121.374%0.74365%0.646SS**THydrogen-bonded Turntrans-60.7-19.7172-76.1161.3000111.8I44I44-L46 PolarHBondContact O-N 3.1Å
47D64.3Low59.1Low164 Ų164121.1 Ų121.188%0.87765%0.645SS**THydrogen-bonded Turntrans-78.5-24.1173-62.9-23.7000113.4N45N45-D47 PolarHBondContact O-N 3.21Å; N45-D47 VanDerWaalsContact O-N 3.15Å
48D57.8Low58.9Low118 Ų118121.5 Ų121.563%0.63164%0.642SS**THydrogen-bonded Turntrans-91.9-5.4174.3-68.1-32.6000112N45 D50N45-D48 HydrophobicContact CB-CB 3.77Å; N45-D48 WeakPolarHBondContact CB-OD2 3.36Å; N45-D48 PolarHBondContact ND2-OD2 3.35Å; N45-D48 PolarHBondContact O-N 2.9Å; D48-D50 PolarHBondContact O-N 2.79Å
49L62.2Low58.7Low106 Ų106121.4 Ų121.456%0.55563%0.633SS**  trans-81.471.7-178.4-154.9125.2000110.3N45 E51N45-L49 PolarHBondContact O-N 2.76Å; L49-E51 PolarHBondContact O-N 2.88Å
50D59.9Low58.1Low118 Ų118122.3 Ų122.363%0.63164%0.635SS**  trans-55.2118.6-174.4-133.9-14.6000110.5D48 E52 E53 A54D48-D50 PolarHBondContact O-N 2.79Å; D50-E52 PolarHBondContact O-N 2.64Å; D50-E53 PolarHBondContact O-N 2.8Å; D50-A54 PolarHBondContact O-N 3.33Å
51E61.2Low57.9Low130 Ų130120 Ų12061%0.60764%0.641SS**Hα-helixtrans-59.8-21.9-172-159.1-165.314000112.1L49 R55L49-E51 PolarHBondContact O-N 2.88Å; E51-R55 WeakPolarHBondContact O-CG 3.47Å; E51-R55 PolarHBondContact O-N 3.24Å; E51-R55 IonicContact OE1-CZ 3.8Å; E51-R55 IonicContact OE1-NE 2.68Å; E51-R55 IonicContact OE1-NH2 3.05Å; E51-R55 PolarHBondContact OE1-NH2 2.74Å
52E57.5Low57.4Low139 Ų139120.6 Ų120.665%0.6564%0.635SS**Hα-helixtrans-75.1-34.4176.5-157130.8-130.100112.4D50 R55 V56D50-E52 PolarHBondContact O-N 2.64Å; E52-R55 PolarHBondContact O-N 3.22Å; E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 2.64Å
53E61.3Low56.8Low134 Ų134119.4 Ų119.463%0.62663%0.634SS**Hα-helixtrans-70.3-39.7176.4-173.4169-167.700111.5D50 R55 V56 V57D50-E53 PolarHBondContact O-N 2.8Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.27Å; E53-V56 PolarHBondContact O-N 3.34Å; E53-V57 PolarHBondContact O-N 3.49Å
54A60.1Low56.3Low54 Ų54121.7 Ų121.745%0.44664%0.641SS.*Hα-helixtrans-57.4-40.3173.400000112.2D50 E58D50-A54 PolarHBondContact O-N 3.33Å; A54-E58 PolarHBondContact O-N 2.95Å
55R60.3Low55.6Low135 Ų135126 Ų12651%0.50965%0.648SS.*Hα-helixtrans-71.9-29.2174.1-65.2177.5-163.8173.14.7113E51 E52 E53 N59E51-R55 WeakPolarHBondContact O-CG 3.47Å; E51-R55 PolarHBondContact O-N 3.24Å; E51-R55 IonicContact OE1-CZ 3.8Å; E51-R55 IonicContact OE1-NE 2.68Å; E51-R55 IonicContact OE1-NH2 3.05Å; E51-R55 PolarHBondContact OE1-NH2 2.74Å; E52-R55 PolarHBondContact O-N 3.22Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.27Å; R55-N59 PolarHBondContact O-N 3.05Å; R55-N59 PolarHBondContact O-ND2 2.74Å
56V57.3Low55.1Low68 Ų68128.9 Ų128.941%0.41267%0.671SS.*Hα-helixtrans-69.8-42175168.70000110.8E52 E53 E58 N59 E60E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 2.64Å; E53-V56 PolarHBondContact O-N 3.34Å; V56-E58 VanDerWaalsContact C-N 3.32Å; V56-E58 PolarHBondContact O-N 2.84Å; V56-N59 CarbonylContact O-C 3.56Å; V56-N59 PolarHBondContact O-N 3.01Å; V56-E60 HydrophobicContact CG1-CG 4.02Å; V56-E60 PolarHBondContact O-N 3.42Å
57V60.2Low54.7Low105 Ų105126.1 Ų126.164%0.63667%0.668SS**Hα-helixtrans-62.1-36.2178.2174.90000112.2E53 N59E53-V57 PolarHBondContact O-N 3.49Å; V57-N59 VanDerWaalsContact C-N 3.35Å
58E53.7Low54.4Low165 Ų165128.8 Ų128.877%0.77167%0.666SS**Hα-helixtrans-70.2-26.7171.6-75.4-160.7134.600113.8A54 V56A54-E58 PolarHBondContact O-N 2.95Å; V56-E58 VanDerWaalsContact C-N 3.32Å; V56-E58 PolarHBondContact O-N 2.84Å
59N52.4Low53.9Low101 Ų101129.6 Ų129.654%0.5468%0.678SS.*Hα-helixtrans-96-26-176.5-79.6-72.8000114.8R55 V56 V57 G61 N62R55-N59 PolarHBondContact O-N 3.05Å; R55-N59 PolarHBondContact O-ND2 2.74Å; V56-N59 CarbonylContact O-C 3.56Å; V56-N59 PolarHBondContact O-N 3.01Å; V57-N59 VanDerWaalsContact C-N 3.35Å; N59-G61 PolarHBondContact O-N 3.17Å; N59-N62 PolarHBondContact O-N 3.48Å
60E46.3Very low53.6Low145 Ų145128.4 Ų128.468%0.67868%0.675SS**Hα-helixtrans-67.3-21.7179.8-93.7-166147.500113.3V56 N62V56-E60 HydrophobicContact CG1-CG 4.02Å; V56-E60 PolarHBondContact O-N 3.42Å; E60-N62 VanDerWaalsContact C-N 3.3Å
61G48.5Very low53.4Low77 Ų77128.4 Ų128.479%0.79468%0.675SS**THydrogen-bonded Turntrans-74.9-11.616900000115.1N59N59-G61 PolarHBondContact O-N 3.17Å
62N46.1Very low53.2Low122 Ų122127.1 Ų127.165%0.65268%0.678SS**  trans-13536.8-164.9-157.622.6000114.4N59 E60 E64N59-N62 PolarHBondContact O-N 3.48Å; E60-N62 VanDerWaalsContact C-N 3.3Å; N62-E64 PolarHBondContact O-N 3.03Å
63N46Very low53.2Low143 Ų143127.4 Ų127.477%0.76568%0.682SS**  trans-73.440.5178.8-109.3-37.8000114.4
64E48.8Very low52.9Low175 Ų175127 Ų12782%0.81868%0.68SS**SBendtrans-120.461.6177.1-74-158.8141.600113.8N62N62-E64 PolarHBondContact O-N 3.03Å
65R47.6Very low52.7Low231 Ų231126.8 Ų126.887%0.87268%0.678SS**  trans66.4149.7164-66.6174.5157-169.5-5.9117.4A67R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.84Å
66P48.2Very low52.3Low135 Ų135122.6 Ų122.688%0.87767%0.672SS**  trans-69.689160.930.8-33.2000109.4
67A49.4Very low52.3Low83 Ų83121.5 Ų121.569%0.68667%0.671SS**  trans-63140.7163.400000109.1R65R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.84Å
68R56.8Low52.2Low221 Ų221119.2 Ų119.283%0.83466%0.663SS**  trans-55.3157.9178.9-65.5170.9179.4-176.3-3110.6V70R68-V70 WeakPolarHBondContact O-CG2 3.22Å; R68-V70 PolarHBondContact O-N 3.5Å
69P48.5Very low52.4Low135 Ų135113.8 Ų113.888%0.87765%0.646SS**  trans-52.7112170.823.8-34.5000109
70V56.1Low52.6Low81 Ų81117.8 Ų117.849%0.49165%0.654SS.*  trans-88130.8178.1-138.90000106.8R68 E74R68-V70 WeakPolarHBondContact O-CG2 3.22Å; R68-V70 PolarHBondContact O-N 3.5Å; V70-E74 HydrophobicContact CG1-CB 3.99Å; V70-E74 HydrophobicContact CG1-CG 4.11Å; V70-E74 WeakPolarHBondContact CG1-OE2 3.46Å
71D55.4Low53.2Low118 Ų118120.3 Ų120.363%0.63166%0.657SS**  trans-55.7141.5177.4-72.2-51.4000110I73 E74 A75D71-I73 PolarHBondContact O-N 2.88Å; D71-E74 PolarHBondContact O-N 3.3Å; D71-A75 PolarHBondContact O-N 2.84Å; D71-A75 VanDerWaalsContact O-N 3.15Å
72P56.8Low53.7Low103 Ų103119.8 Ų119.867%0.66965%0.645SS**Hα-helixtrans-59.2-25.2-171.321.9-33.6000113.2A76P72-A76 WeakPolarHBondContact O-CB 3.1Å; P72-A76 PolarHBondContact O-N 3.43Å
73I56.6Low54.3Low144 Ų144120 Ų12074%0.73865%0.645SS**Hα-helixtrans-64.4-40.9174.3-58.9171000111.3D71 A77D71-I73 PolarHBondContact O-N 2.88Å; I73-A77 PolarHBondContact O-N 3.16Å; I73-A77 VanDerWaalsContact O-N 3.12Å
74E54.9Low55Low126 Ų126119.2 Ų119.259%0.58964%0.64SS**Hα-helixtrans-79.4-34.7-178.9-162.7168.4-145.500111.3V70 D71 A77 A78V70-E74 HydrophobicContact CG1-CB 3.99Å; V70-E74 HydrophobicContact CG1-CG 4.11Å; V70-E74 WeakPolarHBondContact CG1-OE2 3.46Å; D71-E74 PolarHBondContact O-N 3.3Å; E74-A77 PolarHBondContact O-N 2.92Å; E74-A78 PolarHBondContact O-N 2.82Å
75A56.8Low55.4Low49 Ų49112.9 Ų112.941%0.40562%0.622SS.*Hα-helixtrans-60.4-45.1169.200000112.1D71 A77 A78 A79D71-A75 PolarHBondContact O-N 2.84Å; D71-A75 VanDerWaalsContact O-N 3.15Å; A75-A77 VanDerWaalsContact C-N 3.32Å; A75-A77 PolarHBondContact O-N 3.15Å; A75-A78 PolarHBondContact O-N 2.88Å; A75-A79 PolarHBondContact O-N 3.24Å
76A51.8Low55.8Low47 Ų47110.8 Ų110.839%0.38861%0.614SS.*Hα-helixtrans-63-36.5174.700000112.5P72 R80P72-A76 WeakPolarHBondContact O-CB 3.1Å; P72-A76 PolarHBondContact O-N 3.43Å; A76-R80 WeakPolarHBondContact O-CB 3.22Å; A76-R80 VanDerWaalsContact O-CG 3.26Å; A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 2.93Å; A76-R80 VanDerWaalsContact O-N 3.08Å
77A57.3Low56.3Low45 Ų45106 Ų10637%0.37259%0.59SS.*Hα-helixtrans-67.6-38.2174.600000112.5I73 E74 A75 R81I73-A77 PolarHBondContact O-N 3.16Å; I73-A77 VanDerWaalsContact O-N 3.12Å; E74-A77 PolarHBondContact O-N 2.92Å; A75-A77 VanDerWaalsContact C-N 3.32Å; A75-A77 PolarHBondContact O-N 3.15Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 2.98Å; A77-R81 VanDerWaalsContact O-N 3.15Å
78A59.1Low56.7Low57 Ų57108.2 Ų108.247%0.47159%0.589SS.*Hα-helixtrans-65.9-45.8174.500000111.9E74 A75 R80 R81 A82E74-A78 PolarHBondContact O-N 2.82Å; A75-A78 PolarHBondContact O-N 2.88Å; A78-R80 PolarHBondContact O-N 3.39Å; A78-R81 PolarHBondContact O-N 3.5Å; A78-R81 VanDerWaalsContact O-N 3.16Å; A78-A82 PolarHBondContact O-N 3.3Å
79A56.6Low56.6Low51 Ų51106.7 Ų106.742%0.42158%0.583SS.*Hα-helixtrans-58.7-46176.200000112.1A75 R81 A82 I83A75-A79 PolarHBondContact O-N 3.24Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 3.2Å; A79-A82 PolarHBondContact O-N 3.21Å; A79-A82 VanDerWaalsContact O-N 3.15Å; A79-I83 WeakPolarHBondContact O-CG1 3.35Å; A79-I83 PolarHBondContact O-N 2.76Å
80R57.7Low56.9Low185 Ų185104.9 Ų104.970%0.69857%0.566SS**Hα-helixtrans-58.9-40.1175.3-72.6171-174.3-120.31.3112.3A76 A78 L84A76-R80 WeakPolarHBondContact O-CB 3.22Å; A76-R80 VanDerWaalsContact O-CG 3.26Å; A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 2.93Å; A76-R80 VanDerWaalsContact O-N 3.08Å; A78-R80 PolarHBondContact O-N 3.39Å; R80-L84 WeakPolarHBondContact O-CG 3.26Å; R80-L84 PolarHBondContact O-N 3.4Å
81R59.3Low57Low198 Ų198107 Ų10775%0.74757%0.574SS**Hα-helixtrans-67.8-37.8175.3-73.9176177.4-177.12112.7A77 A78 A79 G85A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 2.98Å; A77-R81 VanDerWaalsContact O-N 3.15Å; A78-R81 PolarHBondContact O-N 3.5Å; A78-R81 VanDerWaalsContact O-N 3.16Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 3.2Å; R81-G85 PolarHBondContact O-N 2.97Å
82A58.3Low56.8Low67 Ų67111.3 Ų111.355%0.55458%0.582SS**Hα-helixtrans-65-43.1177.100000112.2A78 A79 G85 R86A78-A82 PolarHBondContact O-N 3.3Å; A79-A82 PolarHBondContact O-N 3.21Å; A79-A82 VanDerWaalsContact O-N 3.15Å; A82-G85 PolarHBondContact O-N 2.96Å; A82-R86 PolarHBondContact O-N 2.9Å
83I58.9Low56.7Low125 Ų125113.1 Ų113.164%0.64158%0.583SS**Hα-helixtrans-61.7-48.6177.3-65.8162.9000110.8A79 G85 R86 G87A79-I83 WeakPolarHBondContact O-CG1 3.35Å; A79-I83 PolarHBondContact O-N 2.76Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-G85 PolarHBondContact O-N 3.15Å; I83-R86 PolarHBondContact O-N 2.92Å; I83-G87 PolarHBondContact O-N 2.95Å
84L60.2Low56.6Low128 Ų128109.4 Ų109.467%0.6758%0.58SS**Hα-helixtrans-62.2-36.4176.3-74.4164000112.6R80R80-L84 WeakPolarHBondContact O-CG 3.26Å; R80-L84 PolarHBondContact O-N 3.4Å
85G57.8Low56.6Low41 Ų41110.5 Ų110.542%0.42359%0.588SS.*Hα-helixtrans-69.2-31.4175.600000114R81 A82 I83 R89R81-G85 PolarHBondContact O-N 2.97Å; A82-G85 PolarHBondContact O-N 2.96Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-G85 PolarHBondContact O-N 3.15Å; G85-R89 PolarHBondContact O-N 3.02Å
86R56.3Low56.3Low187 Ų187119.7 Ų119.771%0.70661%0.612SS**Hα-helixtrans-69-52178.3-169172.6179.71780111.3A82 I83 L88 R89 D90A82-R86 PolarHBondContact O-N 2.9Å; I83-R86 PolarHBondContact O-N 2.92Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.26Å; R86-R89 WeakPolarHBondContact O-CB 3.43Å; R86-R89 PolarHBondContact O-N 3.32Å; R86-D90 PolarHBondContact O-N 2.67Å; R86-D90 VanDerWaalsContact O-N 3.15Å
87G57.8Low56.2Low36 Ų36120.4 Ų120.437%0.37162%0.624SS.*Hα-helixtrans-57.7-36179.200000114.1I83 R89 L91I83-G87 PolarHBondContact O-N 2.95Å; G87-R89 VanDerWaalsContact C-N 3.35Å; G87-R89 PolarHBondContact O-N 3.17Å; G87-L91 WeakPolarHBondContact O-CB 3.04Å; G87-L91 PolarHBondContact O-N 2.95Å; G87-L91 VanDerWaalsContact O-N 3.1Å
88L57.9Low55.6Low128 Ų128121.5 Ų121.567%0.6764%0.639SS**Hα-helixtrans-69.9-27.3175-105.4159.1000113.8R86 R92R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.26Å; L88-R92 PolarHBondContact O-N 3.12Å
89R55.3Low55.6Low189 Ų189127 Ų12771%0.71366%0.661SS**Hα-helixtrans-76.6-38.6176.9-169.3175-73.9179.6-3.3111G85 R86 G87 R92 M93G85-R89 PolarHBondContact O-N 3.02Å; R86-R89 WeakPolarHBondContact O-CB 3.43Å; R86-R89 PolarHBondContact O-N 3.32Å; G87-R89 VanDerWaalsContact C-N 3.35Å; G87-R89 PolarHBondContact O-N 3.17Å; R89-R92 PolarHBondContact O-N 3.08Å; R89-M93 WeakPolarHBondContact O-CG 3.31Å; R89-M93 PolarHBondContact O-N 3.25Å; R89-M93 VanDerWaalsContact O-N 3.12Å
90D54.7Low55.4Low98 Ų98135.4 Ų135.452%0.52468%0.682SS.*Hα-helixtrans-69.4-43.3177.8-60.9-34.9000111.5R86 R92 M93 G94R86-D90 PolarHBondContact O-N 2.67Å; R86-D90 VanDerWaalsContact O-N 3.15Å; D90-R92 PolarHBondContact O-N 3.03Å; D90-M93 PolarHBondContact O-N 3.34Å; D90-M93 VanDerWaalsContact O-N 3.14Å; D90-G94 PolarHBondContact O-N 2.9Å
91L56.8Low55Low124 Ų124137.6 Ų137.665%0.64969%0.69SS**Hα-helixtrans-54.3-34.8168.9-90.4158.9000113.2G87 I95G87-L91 WeakPolarHBondContact O-CB 3.04Å; G87-L91 PolarHBondContact O-N 2.95Å; G87-L91 VanDerWaalsContact O-N 3.1Å; L91-I95 WeakPolarHBondContact O-CD1 3.46Å
92R52.9Low54.9Low210 Ų210140 Ų14079%0.79270%0.699SS**Hα-helixtrans-78.5-30179.8-160.8178.7-164.5-161.85.7113.2L88 R89 D90L88-R92 PolarHBondContact O-N 3.12Å; R89-R92 PolarHBondContact O-N 3.08Å; D90-R92 PolarHBondContact O-N 3.03Å
93M53.5Low54.8Low141 Ų141144 Ų14470%0.69571%0.711SS**Hα-helixtrans-80.7-32.6178.5-70-67.4-80.300112.3R89 D90 I95 R96R89-M93 WeakPolarHBondContact O-CG 3.31Å; R89-M93 PolarHBondContact O-N 3.25Å; R89-M93 VanDerWaalsContact O-N 3.12Å; D90-M93 PolarHBondContact O-N 3.34Å; D90-M93 VanDerWaalsContact O-N 3.14Å; M93-I95 PolarHBondContact O-N 3.03Å; M93-R96 PolarHBondContact O-N 3.06Å
94G54.4Low54.3Low65 Ų65141.8 Ų141.867%0.6772%0.72SS**Hα-helixtrans-60.9-26.1178.700000115.2D90D90-G94 PolarHBondContact O-N 2.9Å
95I54.8Low54Low150 Ų150137.6 Ų137.677%0.76971%0.707SS**THydrogen-bonded Turntrans-81.7-15.4-172.9-62.8170.9000113.1L91 M93L91-I95 WeakPolarHBondContact O-CD1 3.46Å; M93-I95 PolarHBondContact O-N 3.03Å
96R51.6Low53.8Low242 Ų242138.1 Ų138.191%0.91371%0.713SS**THydrogen-bonded Turntrans-116.110.8-173.8-148.5173.6-175158.92.4114.5M93M93-R96 PolarHBondContact O-N 3.06Å
97G49Very low53.9Low61 Ų61134.9 Ų134.963%0.62971%0.709SS**SBendtrans-109.37.2-158.400000119
98G45.6Very low54Low68 Ų68139.4 Ų139.470%0.70172%0.72SS**  trans77.3140.9163.800000118.2R100G98-R100 PolarHBondContact O-N 3.15Å
99N58Low54.5Low174 Ų174139.4 Ų139.493%0.9372%0.717SS**  trans-42.7107.2173.2-70.8-9.2000114
100R53.1Low55.2Low226 Ų226133 Ų13385%0.85370%0.704SS**  trans-135109155.1-69.1-169.4-165.5172.59.1111.9G98G98-R100 PolarHBondContact O-N 3.15Å
101R48.2Very low56.1Low232 Ų232134.3 Ų134.388%0.87571%0.707SS**  trans72.5102.9144.8-58.8175.2-176-126.3-2.2116.4N103R101-N103 PolarHBondContact O-N 2.9Å
102R57.5Low56.8Low247 Ų247134.5 Ų134.593%0.93271%0.706SS**  trans-37.6115.1148.8-62.4166.3177.3165-3.4109.8
103N55.7Low58Low152 Ų152129.8 Ų129.881%0.81370%0.696SS**  trans179.245.9154.2-93.99000108.8R101 G105R101-N103 PolarHBondContact O-N 2.9Å; N103-G105 PolarHBondContact O-N 3.31Å
104G49.9Very low59.4Low79 Ų79128.3 Ų128.381%0.81469%0.691SS**  trans-88.594.9-179.200000111.1
105G53.6Low60.7Low40 Ų40127.6 Ų127.641%0.41268%0.679SS.*SBendtrans-173.8-43.3174.200000112.5N103N103-G105 PolarHBondContact O-N 3.31Å
106G53.7Low61.9Low52 Ų52128.2 Ų128.254%0.53667%0.672SS.*Hα-helixtrans-72.3-30.4174.600000114.1A110G106-A110 WeakPolarHBondContact O-CB 3.43Å; G106-A110 PolarHBondContact O-N 3.01Å
107L57.7Low63.5Low118 Ų118118.6 Ų118.662%0.61864%0.644SS**Hα-helixtrans-69.9-45.7179.2-74.6166.7000112.1Q109 A110 E111L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 3.12Å; L107-A110 PolarHBondContact O-N 3.29Å; L107-E111 WeakPolarHBondContact O-CB 3.35Å; L107-E111 VanDerWaalsContact O-CG 3.29Å; L107-E111 WeakPolarHBondContact O-CG 3.41Å; L107-E111 PolarHBondContact O-N 3.5Å
108E60.6Low65.1Low132 Ų132120 Ų12062%0.61763%0.634SS**Hα-helixtrans-61.7-36.6175.9-70.6-179.1150.100112E111 M112E108-E111 PolarHBondContact O-N 2.98Å; E108-M112 WeakPolarHBondContact O-CB 3.47Å; E108-M112 WeakPolarHBondContact O-CE 3.37Å; E108-M112 WeakPolarHBondContact O-CG 3.39Å; E108-M112 PolarHBondContact O-N 3.39Å
109Q67.3Low66.9Low127 Ų127123.2 Ų123.259%0.59363%0.631SS**Hα-helixtrans-71.1-40.6176.5-165.1174.424.800112.3L107 M112 L113L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 3.12Å; Q109-M112 PolarHBondContact O-N 2.98Å; Q109-L113 HydrophobicContact CG-CD1 4.43Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.4Å; Q109-L113 PolarHBondContact O-N 3.21Å
110A70.3Confident68.3Low55 Ų55120.9 Ų120.946%0.45562%0.615SS.*Hα-helixtrans-64.2-39.617300000111.8G106 L107 L113 N114G106-A110 WeakPolarHBondContact O-CB 3.43Å; G106-A110 PolarHBondContact O-N 3.01Å; L107-A110 PolarHBondContact O-N 3.29Å; A110-L113 PolarHBondContact O-N 3.3Å; A110-N114 WeakPolarHBondContact O-CB 3.23Å; A110-N114 PolarHBondContact O-N 3.28Å
111E74.8Confident70Confident125 Ų125117.8 Ų117.858%0.58460%0.603SS**Hα-helixtrans-65.7-41.2175.1-74.8170-157.800111.8L107 E108 N114 A115L107-E111 WeakPolarHBondContact O-CB 3.35Å; L107-E111 VanDerWaalsContact O-CG 3.29Å; L107-E111 WeakPolarHBondContact O-CG 3.41Å; L107-E111 PolarHBondContact O-N 3.5Å; E108-E111 PolarHBondContact O-N 2.98Å; E111-N114 PolarHBondContact O-N 3.17Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.5Å; E111-A115 PolarHBondContact O-N 2.91Å
112M70.8Confident71.9Confident128 Ų128110.6 Ų110.663%0.63159%0.585SS**Hα-helixtrans-65.1-41.7173.5-78.4-173-76.100112.9E108 Q109 A115 R116E108-M112 WeakPolarHBondContact O-CB 3.47Å; E108-M112 WeakPolarHBondContact O-CE 3.37Å; E108-M112 WeakPolarHBondContact O-CG 3.39Å; E108-M112 PolarHBondContact O-N 3.39Å; Q109-M112 PolarHBondContact O-N 2.98Å; M112-A115 PolarHBondContact O-N 2.97Å; M112-R116 WeakPolarHBondContact O-CB 3.41Å; M112-R116 PolarHBondContact O-N 3.01Å
113L78.3Confident73.5Confident111 Ų111102.3 Ų102.358%0.58156%0.564SS**Hα-helixtrans-66.6-39.8175.8-71.9170.9000111.5Q109 A110 R116 A117Q109-L113 HydrophobicContact CG-CD1 4.43Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.4Å; Q109-L113 PolarHBondContact O-N 3.21Å; A110-L113 PolarHBondContact O-N 3.3Å; L113-R116 PolarHBondContact O-N 2.8Å; L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.03Å
114N81.8Confident75.1Confident110 Ų110101.5 Ų101.559%0.58855%0.554SS**Hα-helixtrans-67.3-41.2176.2-168.225.3000111.8A110 E111 R116 A117 E118A110-N114 WeakPolarHBondContact O-CB 3.23Å; A110-N114 PolarHBondContact O-N 3.28Å; E111-N114 PolarHBondContact O-N 3.17Å; N114-R116 PolarHBondContact O-N 3.31Å; N114-A117 PolarHBondContact O-N 3.19Å; N114-E118 WeakPolarHBondContact O-CB 3.37Å; N114-E118 PolarHBondContact O-N 3.47Å
115A81.5Confident77Confident51 Ų51103.8 Ų103.842%0.42155%0.545SS..Hα-helixtrans-60-45.1173.600000111.6E111 M112 A117 E118 E119E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.5Å; E111-A115 PolarHBondContact O-N 2.91Å; M112-A115 PolarHBondContact O-N 2.97Å; A115-A117 PolarHBondContact O-N 3.47Å; A115-E118 PolarHBondContact O-N 3.26Å; A115-E119 WeakPolarHBondContact O-CG 3.49Å; A115-E119 PolarHBondContact O-N 2.97Å
116R80.8Confident78.6Confident163 Ų163106.4 Ų106.462%0.61555%0.547SS*.Hα-helixtrans-64.7-38.1176.2-171.9176.9-176.8178.20.5112.9M112 L113 N114 Q120M112-R116 WeakPolarHBondContact O-CB 3.41Å; M112-R116 PolarHBondContact O-N 3.01Å; L113-R116 PolarHBondContact O-N 2.8Å; N114-R116 PolarHBondContact O-N 3.31Å; R116-Q120 WeakPolarHBondContact O-CG 3.37Å; R116-Q120 PolarHBondContact O-N 3.37Å; R116-Q120 VanDerWaalsContact O-N 3.12Å
117A85.9Confident80.2Confident40 Ų40106.6 Ų106.633%0.33154%0.543SS..Hα-helixtrans-67-40.1175.200000111.6L113 N114 A115 Q120 R121L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.03Å; N114-A117 PolarHBondContact O-N 3.19Å; A115-A117 PolarHBondContact O-N 3.47Å; A117-Q120 WeakPolarHBondContact O-CB 3.36Å; A117-Q120 PolarHBondContact O-N 3.45Å; A117-R121 WeakPolarHBondContact O-CG 3.4Å; A117-R121 PolarHBondContact O-N 2.94Å
118E81.8Confident81.5Confident89 Ų89105.8 Ų105.842%0.41654%0.539SS..Hα-helixtrans-69.5-37.7176.8-167.564.5-173.300111.7N114 A115 Q120 R121 V122N114-E118 WeakPolarHBondContact O-CB 3.37Å; N114-E118 PolarHBondContact O-N 3.47Å; A115-E118 PolarHBondContact O-N 3.26Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 2.8Å; E118-R121 PolarHBondContact O-N 2.86Å; E118-R121 IonicContact OE2-CZ 3.64Å; E118-R121 IonicContact OE2-NH1 3.81Å; E118-R121 PolarHBondContact OE2-NH1 3.43Å; E118-V122 WeakPolarHBondContact O-CG2 3.33Å; E118-V122 PolarHBondContact O-N 3.45Å
119E82.9Confident82.6Confident137 Ų137103.4 Ų103.464%0.6453%0.533SS*.Hα-helixtrans-57-42.1169.5-77175-178.400112.1A115 V122 S123A115-E119 WeakPolarHBondContact O-CG 3.49Å; A115-E119 PolarHBondContact O-N 2.97Å; E119-V122 PolarHBondContact O-N 3.38Å; E119-S123 VanDerWaalsContact O-CB 3.28Å; E119-S123 WeakPolarHBondContact O-CB 3.33Å; E119-S123 PolarHBondContact O-N 3.35Å
120Q88.1Confident83.2Confident125 Ų125104.6 Ų104.658%0.58453%0.532SS*.Hα-helixtrans-64.9-41.3174.9-73.9177.5-26.600112.3R116 A117 E118 S123 F124R116-Q120 WeakPolarHBondContact O-CG 3.37Å; R116-Q120 PolarHBondContact O-N 3.37Å; R116-Q120 VanDerWaalsContact O-N 3.12Å; A117-Q120 WeakPolarHBondContact O-CB 3.36Å; A117-Q120 PolarHBondContact O-N 3.45Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 2.8Å; Q120-S123 PolarHBondContact O-N 2.77Å; Q120-F124 WeakPolarHBondContact O-CB 3.44Å; Q120-F124 PolarHBondContact O-N 3.36Å
121R88.5Confident83.4Confident161 Ų161103.5 Ų103.561%0.60853%0.526SS*.Hα-helixtrans-66.4-40.9177-68.417478.2-152.510.1112.2A117 E118 F124 M125A117-R121 WeakPolarHBondContact O-CG 3.4Å; A117-R121 PolarHBondContact O-N 2.94Å; E118-R121 PolarHBondContact O-N 2.86Å; E118-R121 IonicContact OE2-CZ 3.64Å; E118-R121 IonicContact OE2-NH1 3.81Å; E118-R121 PolarHBondContact OE2-NH1 3.43Å; R121-F124 PolarHBondContact O-N 2.99Å; R121-M125 WeakPolarHBondContact O-CG 3.31Å; R121-M125 PolarHBondContact O-N 2.78Å
122V88.8Confident83.4Confident81 Ų8199.6 Ų99.649%0.49152%0.516SS..Hα-helixtrans-64.5-45.3174.7171.60000110.7E118 E119 F124 M125 E126E118-V122 WeakPolarHBondContact O-CG2 3.33Å; E118-V122 PolarHBondContact O-N 3.45Å; E119-V122 PolarHBondContact O-N 3.38Å; V122-F124 PolarHBondContact O-N 3.06Å; V122-M125 PolarHBondContact O-N 3.43Å; V122-E126 WeakPolarHBondContact O-CB 3.2Å; V122-E126 PolarHBondContact O-N 3.5Å
123S90.2Very high83Confident72 Ų7299.7 Ų99.750%0.50351%0.514SS..Hα-helixtrans-61.3-41.7176.3-177.10000112.3E119 Q120 E126 A127E119-S123 VanDerWaalsContact O-CB 3.28Å; E119-S123 WeakPolarHBondContact O-CB 3.33Å; E119-S123 PolarHBondContact O-N 3.35Å; Q120-S123 PolarHBondContact O-N 2.77Å; S123-E126 PolarHBondContact O-N 2.85Å; S123-A127 WeakPolarHBondContact O-CB 3.44Å; S123-A127 PolarHBondContact O-N 2.94Å
124F89.2Confident82.2Confident135 Ų13596.7 Ų96.759%0.59251%0.505SS*.Hα-helixtrans-65.1-42.8175.1-179.3-105.1000112.4Q120 R121 V122 A127 L128Q120-F124 WeakPolarHBondContact O-CB 3.44Å; Q120-F124 PolarHBondContact O-N 3.36Å; R121-F124 PolarHBondContact O-N 2.99Å; V122-F124 PolarHBondContact O-N 3.06Å; F124-A127 PolarHBondContact O-N 3.46Å; F124-L128 HydrophobicContact CD1-CD1 3.97Å; F124-L128 HydrophobicContact CE1-CD1 3.46Å; F124-L128 VanDerWaalsContact CE1-CD1 3.46Å; F124-L128 HydrophobicContact CE1-CG 4.14Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.37Å; F124-L128 HydrophobicContact CZ-CG 4.17Å; F124-L128 WeakPolarHBondContact O-CG 3.23Å; F124-L128 PolarHBondContact O-N 2.91Å
125M90.9Very high81.1Confident128 Ų12898.2 Ų98.263%0.63151%0.509SS*.Hα-helixtrans-65.9-36.7173.8-68.7-130.1-62.300112.3R121 V122 A127 L128 V129R121-M125 WeakPolarHBondContact O-CG 3.31Å; R121-M125 PolarHBondContact O-N 2.78Å; V122-M125 PolarHBondContact O-N 3.43Å; M125-A127 VanDerWaalsContact C-N 3.35Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-V129 WeakPolarHBondContact O-CB 3.45Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.36Å; M125-V129 PolarHBondContact O-N 3.16Å
126E87Confident79.9Confident95 Ų95105.3 Ų105.344%0.44453%0.525SS..Hα-helixtrans-63.8-40.6172.9-170.7-172.1144.400111.3V122 S123 V129 R130V122-E126 WeakPolarHBondContact O-CB 3.2Å; V122-E126 PolarHBondContact O-N 3.5Å; S123-E126 PolarHBondContact O-N 2.85Å; E126-V129 PolarHBondContact O-N 3.45Å; E126-R130 VanDerWaalsContact O-CB 3.23Å; E126-R130 WeakPolarHBondContact O-CB 3.15Å; E126-R130 PolarHBondContact O-N 3.15Å; E126-R130 IonicContact OE1-CZ 3.21Å; E126-R130 IonicContact OE1-NH1 2.93Å; E126-R130 PolarHBondContact OE1-NH1 3.18Å; E126-R130 IonicContact OE1-NH2 3.2Å; E126-R130 PolarHBondContact OE1-NH2 2.79Å
127A87.1Confident78.5Confident56 Ų56107.6 Ų107.646%0.46353%0.534SS..Hα-helixtrans-64.8-41.9175.500000112.2S123 F124 M125 R130 G131S123-A127 WeakPolarHBondContact O-CB 3.44Å; S123-A127 PolarHBondContact O-N 2.94Å; F124-A127 PolarHBondContact O-N 3.46Å; M125-A127 VanDerWaalsContact C-N 3.35Å; A127-R130 PolarHBondContact O-N 3.08Å; A127-G131 PolarHBondContact O-N 3.4Å
128L85.7Confident77Confident100 Ų100113.4 Ų113.452%0.52455%0.554SS.*Hα-helixtrans-63.8-43.9173.7-73.7177.1000112.3F124 M125 G131 A132F124-L128 HydrophobicContact CD1-CD1 3.97Å; F124-L128 HydrophobicContact CE1-CD1 3.46Å; F124-L128 VanDerWaalsContact CE1-CD1 3.46Å; F124-L128 HydrophobicContact CE1-CG 4.14Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.37Å; F124-L128 HydrophobicContact CZ-CG 4.17Å; F124-L128 WeakPolarHBondContact O-CG 3.23Å; F124-L128 PolarHBondContact O-N 2.91Å; M125-L128 PolarHBondContact O-N 2.9Å; L128-G131 PolarHBondContact O-N 2.93Å; L128-A132 WeakPolarHBondContact O-CB 3.02Å; L128-A132 PolarHBondContact O-N 3.15Å
129V83.9Confident75.6Confident82 Ų82117.8 Ų117.850%0.49757%0.574SS.*Hα-helixtrans-65.2-45.2176.9170.60000110.7M125 E126 G131 A132 E133M125-V129 WeakPolarHBondContact O-CB 3.45Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.36Å; M125-V129 PolarHBondContact O-N 3.16Å; E126-V129 PolarHBondContact O-N 3.45Å; V129-G131 VanDerWaalsContact C-N 3.34Å; V129-G131 PolarHBondContact O-N 3.36Å; V129-A132 PolarHBondContact O-N 2.79Å; V129-E133 HydrophobicContact CG1-CG 4.43Å; V129-E133 WeakPolarHBondContact O-CB 3.26Å; V129-E133 WeakPolarHBondContact O-CG 3.46Å; V129-E133 PolarHBondContact O-N 3.28Å
130R79.1Confident74Confident152 Ų152120.2 Ų120.257%0.57459%0.585SS**Hα-helixtrans-64.6-36.3176.8-178.4174.2-71.3129.88.4112.3E126 A127 A134E126-R130 VanDerWaalsContact O-CB 3.23Å; E126-R130 WeakPolarHBondContact O-CB 3.15Å; E126-R130 PolarHBondContact O-N 3.15Å; E126-R130 IonicContact OE1-CZ 3.21Å; E126-R130 IonicContact OE1-NH1 2.93Å; E126-R130 PolarHBondContact OE1-NH1 3.18Å; E126-R130 IonicContact OE1-NH2 3.2Å; E126-R130 PolarHBondContact OE1-NH2 2.79Å; A127-R130 PolarHBondContact O-N 3.08Å; R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 2.66Å
131G74.5Confident71.8Confident32 Ų32117.3 Ų117.333%0.3359%0.59SS.*Hα-helixtrans-65.2-49.5173.900000111.9A127 L128 V129 E133 A134 E135A127-G131 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 2.93Å; V129-G131 VanDerWaalsContact C-N 3.34Å; V129-G131 PolarHBondContact O-N 3.36Å; G131-E133 VanDerWaalsContact C-N 3.3Å; G131-E133 PolarHBondContact O-N 2.89Å; G131-A134 WeakPolarHBondContact O-CA 3.34Å; G131-A134 WeakPolarHBondContact O-CB 3.28Å; G131-A134 PolarHBondContact O-N 3.15Å; G131-E135 PolarHBondContact O-N 3.07Å
132A74.2Confident70Confident44 Ų44113.1 Ų113.136%0.36460%0.596SS.*Hα-helixtrans-66.1-29.5176.300000113.2L128 V129 R136L128-A132 WeakPolarHBondContact O-CB 3.02Å; L128-A132 PolarHBondContact O-N 3.15Å; V129-A132 PolarHBondContact O-N 2.79Å; A132-R136 WeakPolarHBondContact O-CB 3.32Å; A132-R136 VanDerWaalsContact O-CG 3.28Å; A132-R136 WeakPolarHBondContact O-CG 3.04Å; A132-R136 PolarHBondContact O-N 3.43Å
133E63.1Low67.9Low130 Ų130117 Ų11761%0.60761%0.614SS**Hα-helixtrans-72.9-29.3170-77.1-178.8176.800112.6V129 G131 R137V129-E133 HydrophobicContact CG1-CG 4.43Å; V129-E133 WeakPolarHBondContact O-CB 3.26Å; V129-E133 WeakPolarHBondContact O-CG 3.46Å; V129-E133 PolarHBondContact O-N 3.28Å; G131-E133 VanDerWaalsContact C-N 3.3Å; G131-E133 PolarHBondContact O-N 2.89Å; E133-R137 WeakPolarHBondContact O-CB 3.34Å; E133-R137 PolarHBondContact O-N 3.24Å
134A62.1Low65.5Low47 Ų47121.2 Ų121.239%0.38863%0.631SS.*Hα-helixtrans-73.4-49.2173.700000111.4R130 G131 R136 R137 E138R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 2.66Å; G131-A134 WeakPolarHBondContact O-CA 3.34Å; G131-A134 WeakPolarHBondContact O-CB 3.28Å; G131-A134 PolarHBondContact O-N 3.15Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.94Å; A134-R137 WeakPolarHBondContact O-CA 3.5Å; A134-R137 WeakPolarHBondContact O-CB 3.47Å; A134-R137 PolarHBondContact O-N 2.83Å; A134-E138 PolarHBondContact O-N 2.86Å; A134-E138 VanDerWaalsContact O-N 3.17Å
135E58.4Low63.4Low142 Ų142117.6 Ų117.666%0.66463%0.631SS**Hα-helixtrans-55.7-44174.6-72.2-179.2145.500111.4G131 R137 E138 E139G131-E135 PolarHBondContact O-N 3.07Å; E135-R137 PolarHBondContact O-N 3.29Å; E135-E138 PolarHBondContact O-N 2.93Å; E135-E139 PolarHBondContact O-N 3.29Å
136R56.5Low61.5Low201 Ų201120.2 Ų120.276%0.75864%0.642SS**Hα-helixtrans-65.9-20.7175.1-77.6-179.2179.7-176.92.5114.6A132 A134A132-R136 WeakPolarHBondContact O-CB 3.32Å; A132-R136 VanDerWaalsContact O-CG 3.28Å; A132-R136 WeakPolarHBondContact O-CG 3.04Å; A132-R136 PolarHBondContact O-N 3.43Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.94Å
137R50.9Low59.3Low211 Ų211121.1 Ų121.180%0.79666%0.659SS**Hα-helixtrans-85-21.6177.3-164.8176.5-173.9116.85.8112.1E133 A134 E135E133-R137 WeakPolarHBondContact O-CB 3.34Å; E133-R137 PolarHBondContact O-N 3.24Å; A134-R137 WeakPolarHBondContact O-CA 3.5Å; A134-R137 WeakPolarHBondContact O-CB 3.47Å; A134-R137 PolarHBondContact O-N 2.83Å; E135-R137 PolarHBondContact O-N 3.29Å
138E53.8Low57.9Low161 Ų161124.4 Ų124.475%0.75268%0.679SS**Hα-helixtrans-84.3-27.6176.1-67.7-178.4175.700112.2A134 E135A134-E138 PolarHBondContact O-N 2.86Å; A134-E138 VanDerWaalsContact O-N 3.17Å; E135-E138 PolarHBondContact O-N 2.93Å
139E52.1Low56.1Low182 Ų182124.2 Ų124.285%0.8569%0.686SS**THydrogen-bonded Turntrans-77-16.3175.1-72.4-161.914400115.4E135E135-E139 PolarHBondContact O-N 3.29Å
140E49.8Very low54.4Low187 Ų187124.2 Ų124.287%0.87469%0.689SS**THydrogen-bonded Turntrans-103.114.2177.4-148.8176.8-164.400113.1
141G42.3Very low53.1Low65 Ų65123.2 Ų123.267%0.6771%0.706SS**  trans-10849.2-177.700000114.6
142G49.8Very low52.2Low72 Ų72126.3 Ų126.374%0.74272%0.722SS**  trans-78.4135.7179.400000114.4
143D46Very low51.2Low163 Ų163128 Ų12887%0.87273%0.731SS**  trans76.286.7161.6-162.843.3000118.8
144D40.3Very low50.7Low161 Ų161126 Ų12686%0.86173%0.725SS**  -162.2151.5121.268.3-35.3000114.2
145G44.8Very low50.5Low58 Ų58128.1 Ų128.160%0.59873%0.733SS**  trans98.285.4154.500000117.7S147G145-S147 PolarHBondContact O-N 3.33Å
146E50.2Low50.2Low184 Ų184126.7 Ų126.786%0.8673%0.73SS**  trans-38.9131.3162.747.7-109.173.900116.1
147S40.9Very low50.2Low114 Ų114123.2 Ų123.280%0.79772%0.722SS**  trans-139.189162.4-77.60000111.4G145 S149G145-S147 PolarHBondContact O-N 3.33Å; S147-S149 PolarHBondContact O-N 3.47Å
148S56.7Low50.3Low125 Ų125120.4 Ų120.487%0.87471%0.713SS**  trans-85.191.4171.759.50000111
149S48.9Very low50.2Low96 Ų96118.7 Ų118.767%0.67171%0.705SS**  trans-150.5129.7166.6540000113.4S147S147-S149 PolarHBondContact O-N 3.47Å
150S48.8Very low50.4Low82 Ų82113.9 Ų113.957%0.57369%0.691SS**  trans56.353.115156.40000119.9S152S150-S152 PolarHBondContact O-N 2.88Å
151S52.1Low50.6Low131 Ų131109.7 Ų109.792%0.91667%0.672SS**THydrogen-bonded Turntrans-72.958.5161.1179.60000112.5
152S54.8Low51.1Low97 Ų97112.6 Ų112.668%0.67867%0.667SS**THydrogen-bonded Turntrans-164.823.3171.480.50000115.2S150S150-S152 PolarHBondContact O-N 2.88Å
153S53.6Low51.4Low78 Ų78115.9 Ų115.955%0.54566%0.664SS.*SBendtrans-127.3-14.4-176.2-161.10000115.2
154D52.8Low51.8Low89 Ų89114.6 Ų114.648%0.47665%0.652SS.*SBendtrans-86.7-22-175.9-44.6-87.6000112.8D156 E157 Y158D154-D156 VanDerWaalsContact C-N 3.31Å; D154-D156 PolarHBondContact O-N 2.92Å; D154-E157 PolarHBondContact O-N 3.25Å; D154-Y158 HydrophobicContact CB-CE2 4.1Å; D154-Y158 WeakPolarHBondContact O-CD2 3.36Å; D154-Y158 PolarHBondContact O-N 3.12Å
155T56Low52.5Low92 Ų92112 Ų11256%0.56464%0.638SS**Hα-helixtrans-67.8-26.9-174.5470000114.5Q159T155-Q159 WeakPolarHBondContact O-CG 3.4Å
156D54.1Low53.1Low111 Ų111114 Ų11459%0.59463%0.634SS**Hα-helixtrans-85.4-23.9179.2-59.7-33.2000111.6D154 S160D154-D156 VanDerWaalsContact C-N 3.31Å; D154-D156 PolarHBondContact O-N 2.92Å; D156-S160 PolarHBondContact O-N 3.38Å
157E54.6Low53.5Low129 Ų129108.6 Ų108.660%0.60362%0.617SS**Hα-helixtrans-72.2-47.3177.2-165.6156.7-150.400110.3D154 Q159 S160 E161D154-E157 PolarHBondContact O-N 3.25Å; E157-Q159 VanDerWaalsContact C-N 3.32Å; E157-Q159 PolarHBondContact O-N 3.01Å; E157-S160 PolarHBondContact O-N 2.94Å; E157-S160 VanDerWaalsContact O-N 3.13Å; E157-E161 PolarHBondContact O-N 3.31Å
158Y53Low54.3Low151 Ų151107 Ų10759%0.59260%0.603SS**Hα-helixtrans-59.2-37.8173.4-67.7-62.8000113.5D154 E161 E162D154-Y158 HydrophobicContact CB-CE2 4.1Å; D154-Y158 WeakPolarHBondContact O-CD2 3.36Å; D154-Y158 PolarHBondContact O-N 3.12Å; Y158-E161 PolarHBondContact O-N 2.82Å; Y158-E162 WeakPolarHBondContact O-CG 3.45Å; Y158-E162 PolarHBondContact O-N 3.25Å
159Q52.5Low54.4Low126 Ų126103.4 Ų103.459%0.58958%0.577SS**Hα-helixtrans-67.9-36.9176.6-73-173.8-0.200112.2T155 E157 E162 E163T155-Q159 WeakPolarHBondContact O-CG 3.4Å; E157-Q159 VanDerWaalsContact C-N 3.32Å; E157-Q159 PolarHBondContact O-N 3.01Å; Q159-E162 PolarHBondContact O-N 2.72Å; Q159-E163 PolarHBondContact O-N 2.9Å
160S57.1Low55.2Low80 Ų80102.9 Ų102.956%0.55957%0.57SS**Hα-helixtrans-69.8-34.1175.6-161.60000112.6D156 E157 E164D156-S160 PolarHBondContact O-N 3.38Å; E157-S160 PolarHBondContact O-N 2.94Å; E157-S160 VanDerWaalsContact O-N 3.13Å; S160-E164 PolarHBondContact O-N 3.43Å
161E53.4Low55.9Low100 Ų100101.4 Ų101.447%0.46756%0.558SS.*Hα-helixtrans-69.4-40.8174.2-70.1-174.5163.600111.8E157 Y158 E163 E164 I165E157-E161 PolarHBondContact O-N 3.31Å; Y158-E161 PolarHBondContact O-N 2.82Å; E161-E163 VanDerWaalsContact C-N 3.33Å; E161-E163 PolarHBondContact O-N 2.92Å; E161-E164 PolarHBondContact O-N 3.41Å; E161-I165 VanDerWaalsContact O-CG1 3.28Å; E161-I165 WeakPolarHBondContact O-CG1 3.44Å; E161-I165 PolarHBondContact O-N 3.15Å
162E53Low56.7Low125 Ų12597.2 Ų97.258%0.58453%0.531SS*.Hα-helixtrans-64.1-34.9176.4-76.6-173.9179.800112.6Y158 Q159 N166Y158-E162 WeakPolarHBondContact O-CG 3.45Å; Y158-E162 PolarHBondContact O-N 3.25Å; Q159-E162 PolarHBondContact O-N 2.72Å; E162-N166 VanDerWaalsContact O-CB 3.31Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 VanDerWaalsContact O-CG 3.26Å; E162-N166 PolarHBondContact O-N 2.84Å; E162-N166 PolarHBondContact O-ND2 2.83Å
163E56Low57.3Low141 Ų14199.1 Ų99.166%0.65953%0.533SS*.Hα-helixtrans-67.7-37.2173.7-73.9-170.2179.100112.7Q159 E161 S167Q159-E163 PolarHBondContact O-N 2.9Å; E161-E163 VanDerWaalsContact C-N 3.33Å; E161-E163 PolarHBondContact O-N 2.92Å; E163-S167 WeakPolarHBondContact O-CB 3.31Å; E163-S167 PolarHBondContact O-N 3.5Å; E163-S167 VanDerWaalsContact O-N 3.07Å; E163-S167 PolarHBondContact O-OG 2.91Å
164E54.8Low58.4Low136 Ų13698.4 Ų98.464%0.63652%0.523SS*.Hα-helixtrans-68.1-47.5174.7-173.8169.8-170.300111.3S160 E161 N166 S167 V168S160-E164 PolarHBondContact O-N 3.43Å; E161-E164 PolarHBondContact O-N 3.41Å; E164-N166 VanDerWaalsContact C-N 3.33Å; E164-N166 PolarHBondContact O-N 2.99Å; E164-S167 PolarHBondContact O-N 3.43Å; E164-S167 VanDerWaalsContact O-N 3.15Å; E164-V168 HydrophobicContact CG-CG2 4.39Å; E164-V168 WeakPolarHBondContact O-CG2 3.28Å; E164-V168 PolarHBondContact O-N 2.83Å
165I55Low59.5Low108 Ų10896.1 Ų96.155%0.55451%0.513SS*.Hα-helixtrans-61.5-41.1179.2-64.9163.6000110.9E161 S169E161-I165 VanDerWaalsContact O-CG1 3.28Å; E161-I165 WeakPolarHBondContact O-CG1 3.44Å; E161-I165 PolarHBondContact O-N 3.15Å; I165-S169 WeakPolarHBondContact O-CB 3.38Å; I165-S169 PolarHBondContact O-N 2.93Å
166N57.2Low60.4Low98 Ų9893.5 Ų93.552%0.52450%0.501SS..Hα-helixtrans-67.9-36176.6-75.5-46.8000112.6E162 E164 T170E162-N166 VanDerWaalsContact O-CB 3.31Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 VanDerWaalsContact O-CG 3.26Å; E162-N166 PolarHBondContact O-N 2.84Å; E162-N166 PolarHBondContact O-ND2 2.83Å; E164-N166 VanDerWaalsContact C-N 3.33Å; E164-N166 PolarHBondContact O-N 2.99Å; N166-T170 WeakPolarHBondContact O-CB 3.37Å; N166-T170 WeakPolarHBondContact O-CG2 3.31Å; N166-T170 PolarHBondContact O-N 3.18Å; N166-T170 PolarHBondContact O-OG1 2.98Å
167S57.3Low61.3Low72 Ų7291 Ų9150%0.50349%0.487SS..Hα-helixtrans-67.8-42.6176.1-60.70000112.3E163 E164 T170 T171E163-S167 WeakPolarHBondContact O-CB 3.31Å; E163-S167 PolarHBondContact O-N 3.5Å; E163-S167 VanDerWaalsContact O-N 3.07Å; E163-S167 PolarHBondContact O-OG 2.91Å; E164-S167 PolarHBondContact O-N 3.43Å; E164-S167 VanDerWaalsContact O-N 3.15Å; S167-T170 PolarHBondContact O-OG1 3.43Å; S167-T171 PolarHBondContact O-N 3.49Å; S167-T171 PolarHBondContact O-OG1 3.13Å
168V58.7Low62.4Low81 Ų8187.8 Ų87.849%0.49147%0.469SS..Hα-helixtrans-71.5-42.9175.9177.50000110.7E164 T171 A172E164-V168 HydrophobicContact CG-CG2 4.39Å; E164-V168 WeakPolarHBondContact O-CG2 3.28Å; E164-V168 PolarHBondContact O-N 2.83Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 2.68Å; V168-A172 HydrophobicContact CG1-CB 4.32Å; V168-A172 WeakPolarHBondContact O-CA 3.41Å; V168-A172 WeakPolarHBondContact O-CB 3.37Å; V168-A172 PolarHBondContact O-N 3.42Å
169S59.6Low63.4Low49 Ų4982.9 Ų82.934%0.34345%0.45SS..Hα-helixtrans-60.5-48.9179.8-179.10000112.1I165 T171 L173I165-S169 WeakPolarHBondContact O-CB 3.38Å; I165-S169 PolarHBondContact O-N 2.93Å; S169-T171 PolarHBondContact O-N 3.17Å; S169-L173 WeakPolarHBondContact O-CB 3.23Å; S169-L173 VanDerWaalsContact O-CG 3.23Å; S169-L173 WeakPolarHBondContact O-CG 3.45Å; S169-L173 PolarHBondContact O-N 2.9Å; S169-L173 WeakPolarHBondContact OG-CD1 3.4Å
170T64.6Low64.4Low84 Ų8485.6 Ų85.652%0.51546%0.455SS..Hα-helixtrans-66-36.1-17950.80000113.5N166 S167 N174N166-T170 WeakPolarHBondContact O-CB 3.37Å; N166-T170 WeakPolarHBondContact O-CG2 3.31Å; N166-T170 PolarHBondContact O-N 3.18Å; N166-T170 PolarHBondContact O-OG1 2.98Å; S167-T170 PolarHBondContact O-OG1 3.43Å; T170-N174 VanDerWaalsContact O-CB 3.23Å; T170-N174 WeakPolarHBondContact O-CB 3.48Å
171T64.4Low65Low52 Ų5287.2 Ų87.232%0.31946%0.457SS..Hα-helixtrans-83.8-39.4179.154.10000112.8S167 V168 S169 R178S167-T171 PolarHBondContact O-N 3.49Å; S167-T171 PolarHBondContact O-OG1 3.13Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 2.68Å; S169-T171 PolarHBondContact O-N 3.17Å; T171-R178 WeakPolarHBondContact O-CG 3.48Å
172A67.9Low65.8Low43 Ų4387 Ų8736%0.35545%0.452SS..Hα-helixtrans-78.3-22.9-178.700000113.7V168 R178V168-A172 HydrophobicContact CG1-CB 4.32Å; V168-A172 WeakPolarHBondContact O-CA 3.41Å; V168-A172 WeakPolarHBondContact O-CB 3.37Å; V168-A172 PolarHBondContact O-N 3.42Å; A172-R178 PolarHBondContact O-NH1 3.38Å
173L68.7Low66.4Low136 Ų13690.3 Ų90.371%0.71246%0.459SS*.SBendtrans-92.4-12.2176-62.2175.7000113.8S169S169-L173 WeakPolarHBondContact O-CB 3.23Å; S169-L173 VanDerWaalsContact O-CG 3.23Å; S169-L173 WeakPolarHBondContact O-CG 3.45Å; S169-L173 PolarHBondContact O-N 2.9Å; S169-L173 WeakPolarHBondContact OG-CD1 3.4Å
174N75.7Confident66.3Low64 Ų6488.7 Ų88.734%0.34246%0.461SS..  trans-104.2106.3-177.3-174.8-36000111.1T170 A176 L177 R178T170-N174 VanDerWaalsContact O-CB 3.23Å; T170-N174 WeakPolarHBondContact O-CB 3.48Å; N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 2.84Å; N174-A176 WeakPolarHBondContact OD1-CB 3.11Å; N174-A176 PolarHBondContact OD1-N 3.04Å; N174-A176 VanDerWaalsContact OD1-N 3.08Å; N174-L177 HydrophobicContact CB-CB 4.06Å; N174-L177 HydrophobicContact CB-CD1 3.94Å; N174-L177 HydrophobicContact CB-CG 4.07Å; N174-L177 PolarHBondContact O-N 3.46Å; N174-L177 VanDerWaalsContact O-N 3.12Å; N174-L177 PolarHBondContact OD1-N 3.38Å; N174-L177 VanDerWaalsContact OD1-N 3.17Å; N174-R178 WeakPolarHBondContact O-CG 3.33Å; N174-R178 PolarHBondContact O-N 3.33Å
175P76Confident66.3Low40 Ų4089.3 Ų89.326%0.2647%0.468SS..Hα-helixtrans-60.3-36.1-175.926.1-35.7000112.5D13 R178 R179D13-P175 WeakPolarHBondContact OD1-CA 3.35Å; D13-P175 WeakPolarHBondContact OD1-CB 3.39Å; P175-R178 PolarHBondContact O-N 2.99Å; P175-R179 VanDerWaalsContact O-CB 3.26Å; P175-R179 WeakPolarHBondContact O-CB 3.42Å; P175-R179 VanDerWaalsContact O-CG 3.22Å; P175-R179 WeakPolarHBondContact O-CG 3.38Å; P175-R179 PolarHBondContact O-N 3.33Å
176A74.6Confident66.1Low38 Ų3892.5 Ų92.531%0.31449%0.487SS..Hα-helixtrans-67.3-37.1177.900000112.5N174 R180N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 2.84Å; N174-A176 WeakPolarHBondContact OD1-CB 3.11Å; N174-A176 PolarHBondContact OD1-N 3.04Å; N174-A176 VanDerWaalsContact OD1-N 3.08Å; A176-R180 WeakPolarHBondContact O-CB 3.48Å; A176-R180 PolarHBondContact O-N 3.31Å
177L73.3Confident65.8Low59 Ų5996.6 Ų96.631%0.30950%0.502SS..Hα-helixtrans-70.8-38.1173.8-67.6178.4000111.9N174 R180 N181N174-L177 HydrophobicContact CB-CB 4.06Å; N174-L177 HydrophobicContact CB-CD1 3.94Å; N174-L177 HydrophobicContact CB-CG 4.07Å; N174-L177 PolarHBondContact O-N 3.46Å; N174-L177 VanDerWaalsContact O-N 3.12Å; N174-L177 PolarHBondContact OD1-N 3.38Å; N174-L177 VanDerWaalsContact OD1-N 3.17Å; L177-R180 PolarHBondContact O-N 3.2Å; L177-N181 WeakPolarHBondContact O-CB 3.28Å; L177-N181 PolarHBondContact O-N 2.95Å
178R76.7Confident64.9Low61 Ų61101.6 Ų101.623%0.2355%0.549CS..Hα-helixtrans-59.8-52.3169.9-60-167.9-68.2-140.43.5110.7D13 T171 A172 N174 P175 R180 N181 R182D13-R178 IonicContact OD1-CZ 3.01Å; D13-R178 IonicContact OD1-NE 2.64Å; D13-R178 PolarHBondContact OD1-NE 3.12Å; D13-R178 IonicContact OD1-NH2 3.9Å; D13-R178 PolarHBondContact OD1-NH2 3.14Å; D13-R178 IonicContact OD2-CZ 2.84Å; D13-R178 IonicContact OD2-NE 2.9Å; D13-R178 PolarHBondContact OD2-NE 3.03Å; D13-R178 IonicContact OD2-NH2 3.83Å; T171-R178 WeakPolarHBondContact O-CG 3.48Å; A172-R178 PolarHBondContact O-NH1 3.38Å; N174-R178 WeakPolarHBondContact O-CG 3.33Å; N174-R178 PolarHBondContact O-N 3.33Å; P175-R178 PolarHBondContact O-N 2.99Å; R178-R180 PolarHBondContact O-N 3.26Å; R178-N181 PolarHBondContact O-N 3.27Å; R178-R182 VanDerWaalsContact CB-NH1 3.28Å; R178-R182 WeakPolarHBondContact O-CG 3.38Å; R178-R182 PolarHBondContact O-N 3.18Å; R178-R182 PolarHBondContact O-NH1 3.17Å
179R74.7Confident65.3Low47 Ų47102.7 Ų102.718%0.17755%0.551CS.*Hα-helixtrans-51.8-36174.8-78.8170.4161.7-166.5-9.9112.5D13 V16 E18 P175D13-R179 PolarHBondContact O-NE 2.98Å; D13-R179 VanDerWaalsContact O-NE 3.07Å; D13-R179 PolarHBondContact O-NH2 3.21Å; V16-R179 PolarHBondContact O-NH1 3Å; V16-R179 PolarHBondContact O-NH2 2.83Å; E18-R179 IonicContact OE1-CZ 2.74Å; E18-R179 IonicContact OE1-NH1 2.74Å; E18-R179 PolarHBondContact OE1-NH1 3.35Å; P175-R179 VanDerWaalsContact O-CB 3.26Å; P175-R179 WeakPolarHBondContact O-CB 3.42Å; P175-R179 VanDerWaalsContact O-CG 3.22Å; P175-R179 WeakPolarHBondContact O-CG 3.38Å; P175-R179 PolarHBondContact O-N 3.33Å
180R73.7Confident65.6Low183 Ų183105.5 Ų105.569%0.69156%0.562SS**Hα-helixtrans-77.8-46.6177.2-174.8177.5178-174.3-1.5113.3A176 L177 R178 R182 R183A176-R180 WeakPolarHBondContact O-CB 3.48Å; A176-R180 PolarHBondContact O-N 3.31Å; L177-R180 PolarHBondContact O-N 3.2Å; R178-R180 PolarHBondContact O-N 3.26Å; R180-R182 PolarHBondContact O-N 3.36Å; R180-R183 PolarHBondContact O-N 3.28Å
181N70.8Confident65.6Low114 Ų114106.7 Ų106.761%0.6157%0.565SS**Hα-helixtrans-68.3-24.3-178.6-68.1-8.4000112.8L177 R178 R183L177-N181 WeakPolarHBondContact O-CB 3.28Å; L177-N181 PolarHBondContact O-N 2.95Å; R178-N181 PolarHBondContact O-N 3.27Å; N181-R183 VanDerWaalsContact C-N 3.29Å
182R70.1Confident65.7Low96 Ų96109.9 Ų109.936%0.36258%0.579SS.*THydrogen-bonded Turntrans-73.2-13.3170.3-69.4-174.3-162.196-6.2114.3D10 D13 R178 R180 P184D10-R182 IonicContact OD1-CZ 2.79Å; D10-R182 IonicContact OD1-NE 2.64Å; D10-R182 PolarHBondContact OD1-NE 2.91Å; D10-R182 IonicContact OD1-NH2 3.33Å; D10-R182 PolarHBondContact OD1-NH2 3.32Å; D10-R182 IonicContact OD2-NE 3.24Å; D13-R182 IonicContact OD2-CZ 3.85Å; D13-R182 IonicContact OD2-NH1 2.66Å; D13-R182 PolarHBondContact OD2-NH1 2.93Å; D13-R182 IonicContact OD2-NH2 3.53Å; D13-R182 PolarHBondContact OD2-NH2 2.82Å; R178-R182 VanDerWaalsContact CB-NH1 3.28Å; R178-R182 WeakPolarHBondContact O-CG 3.38Å; R178-R182 PolarHBondContact O-N 3.18Å; R178-R182 PolarHBondContact O-NH1 3.17Å; R180-R182 PolarHBondContact O-N 3.36Å; R182-P184 VanDerWaalsContact C-CD 3.44Å; R182-P184 WeakPolarHBondContact O-CD 3.45Å
183R65.2Low65.6Low195 Ų195114.1 Ų114.174%0.73659%0.593SS**SBendtrans-102.982.9176.6-68.6177.4-173.2165.43.5109.4R180 N181 D185R180-R183 PolarHBondContact O-N 3.28Å; N181-R183 VanDerWaalsContact C-N 3.29Å; R183-D185 PolarHBondContact O-N 2.87Å; R183-D185 VanDerWaalsContact O-N 3.15Å
184P54.3Low65.3Low106 Ų106112.6 Ų112.669%0.68859%0.586SS**  trans-63.9116.6168.528.6-33.1000108.5R182 D186R182-P184 VanDerWaalsContact C-CD 3.44Å; R182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-D186 PolarHBondContact O-N 3.47Å
185D53.2Low64.6Low149 Ų149116.1 Ų116.180%0.79760%0.603SS**  trans-6.995.6175.4-54.6-49.9000116.4R183 E187R183-D185 PolarHBondContact O-N 2.87Å; R183-D185 VanDerWaalsContact O-N 3.15Å; D185-E187 PolarHBondContact O-N 3.36Å
186D51.8Low63.7Low176 Ų176121.9 Ų121.994%0.94163%0.629SS**SBendtrans-7528.5167.3-108.6-20.8000111.9P184P184-D186 PolarHBondContact O-N 3.47Å
187E50.4Low62.8Low183 Ų183128.9 Ų128.986%0.85566%0.656SS**  trans-134.789.1174.4-73.5-160.3154.800112D185D185-E187 PolarHBondContact O-N 3.36Å
188A39.8Very low61.9Low178 Ų178135.3 Ų135.3100%1.47169%0.687SS**  trans-149.70158.500000111.4

Retrieved 188 of 188 residues in 27.5 ms (Link to these results)