A0A087XMA2_POEFO Loading...

DNA damage-inducible transcript 3 protein

AlphaFold DB (A0A3B3UND1), UniProt , Accession A0A087XMA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.6Very low50.1Low239 Ų239157.2 Ų157.2100%1.17783%0.828SS**  0128.50-65.4171.5150.200105.8
2T39.8Very low50.5Low126 Ų126154.5 Ų154.577%0.77380%0.8SS**  cis-166.2156-9.411.70000103.9
3A47.9Very low51.2Low97 Ų97149.1 Ų149.180%0.80278%0.78SS**  trans-67.2133.2-173.100000113.2
4E46.1Very low51.1Low167 Ų167148.5 Ų148.578%0.7879%0.79SS**  trans-149.954.1167.464.2-150.2150.900111.2
5W47.7Very low51.5Low258 Ų258144.1 Ų144.198%0.97779%0.794SS**  trans-123.121.7162.9-70.8100.2000111.7
6L51.4Low51.9Low137 Ų137139.6 Ų139.672%0.71777%0.772SS**  trans-78.2143.1162.3-64.9174.2000107.4
7H53.2Low52.3Low171 Ų171134.1 Ų134.179%0.79276%0.755SS**  trans95.654.9166.2-48.6-86.9000118.8
8L50.8Low52.7Low175 Ų175132.4 Ų132.492%0.91675%0.75SS**  trans-144.249.3147.1-82.1179.9000112.2
9L54.9Low52.8Low124 Ų124130.7 Ų130.765%0.64974%0.738SS**SBendtrans-86.9141.9158.5-89.879.6000109.1Y12L9-Y12 HydrophobicContact CD2-CE2 3.85Å; L9-Y12 WeakPolarHBondContact CD2-OH 3.37Å
10P61.4Low53.1Low104 Ų104133 Ų13368%0.67574%0.736SS**PPolyproline II helixtrans-53.3146171.9-19.829.8000110.6Y12P10-Y12 PolarHBondContact O-N 3.01Å; P10-Y12 VanDerWaalsContact O-N 3.09Å
11P62.4Low53.7Low131 Ų131128.7 Ų128.785%0.85172%0.721SS**PPolyproline II helixtrans-62118.3176.625.2-31.1000109.3
12Y55.2Low55.5Low125 Ų125121.4 Ų121.449%0.4970%0.699SS.*PPolyproline II helixtrans-61.2145.1174.8-76.3-90.4000110.5L9 P10L9-Y12 HydrophobicContact CD2-CE2 3.85Å; L9-Y12 WeakPolarHBondContact CD2-OH 3.37Å; P10-Y12 PolarHBondContact O-N 3.01Å; P10-Y12 VanDerWaalsContact O-N 3.09Å
13P59.3Low57.4Low84 Ų84120.9 Ų120.955%0.54569%0.688SS.*PPolyproline II helixtrans-60.4143.9176.424.9-32.9000110.8G15 V16P13-G15 PolarHBondContact O-N 2.93Å; P13-G15 VanDerWaalsContact O-N 3.15Å; P13-V16 PolarHBondContact O-N 3.42Å
14P49.2Very low59.1Low141 Ų141119.3 Ų119.392%0.91667%0.666SS**THydrogen-bonded Turntrans-56.7120.5179.2-22.732.4000111.3
15G57.6Low60.8Low83 Ų83116.8 Ų116.886%0.85665%0.654SS**THydrogen-bonded Turntrans115.1-13.2176.500000115.4P13P13-G15 PolarHBondContact O-N 2.93Å; P13-G15 VanDerWaalsContact O-N 3.15Å
16V57.9Low62.7Low72 Ų72107.4 Ų107.444%0.43663%0.631SS.*  trans-112.981.3171.6-167.30000107.5P13 L19P13-V16 PolarHBondContact O-N 3.42Å; V16-L19 HydrophobicContact CG1-CD1 4.06Å; V16-L19 HydrophobicContact CG1-CG 4.29Å
17G58.7Low64.6Low46 Ų46109 Ų10947%0.47463%0.628SS.*  trans-58.4166.4166.200000110L19G17-L19 PolarHBondContact O-N 3.21Å
18P58.8Low66.4Low104 Ų104107 Ų10768%0.67561%0.614SS**  trans-56.1101.2176.4-20.131.3000109.2Y20P18-Y20 PolarHBondContact O-N 3.47Å
19L55.6Low68.3Low99 Ų99103.7 Ų103.752%0.51859%0.594SS.*THydrogen-bonded Turntrans-67.420.4169.2-67.6174.8000111.2V16 G17V16-L19 HydrophobicContact CG1-CD1 4.06Å; V16-L19 HydrophobicContact CG1-CG 4.29Å; G17-L19 PolarHBondContact O-N 3.21Å
20Y58.4Low70.1Confident177 Ų177101.9 Ų101.969%0.69459%0.585SS**THydrogen-bonded Turntrans-942.7-167.1-112-90.8000113.4P18 L24P18-Y20 PolarHBondContact O-N 3.47Å; Y20-L24 HydrophobicContact CD1-CD2 3.93Å; Y20-L24 HydrophobicContact CE1-CD2 4.29Å; Y20-L24 WeakPolarHBondContact O-CD2 3.33Å
21G65Low71.6Confident42 Ų42100.2 Ų100.243%0.43357%0.57SS.*THydrogen-bonded Turntrans-111.7-78179.500000111.7E25G21-E25 WeakPolarHBondContact O-CB 3.35Å; G21-E25 PolarHBondContact O-N 3.29Å
22A73.4Confident72.8Confident86 Ų8699.4 Ų99.471%0.71156%0.555SS**Hα-helixtrans-70.4-42.8-16800000114.4A26A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.16Å
23E81.3Confident74.3Confident115 Ų11598.7 Ų98.754%0.53756%0.56SS.*Hα-helixtrans-72.2-36.1178.2-68.6-177174.300111.8A26 W27E23-A26 PolarHBondContact O-N 2.88Å; E23-W27 PolarHBondContact O-N 3.47Å
24L83.9Confident75.7Confident65 Ų6599.5 Ų99.534%0.3456%0.559SS.*Hα-helixtrans-67.3-42.2175.5-174.264.2000111.3Y20 W27 Y28Y20-L24 HydrophobicContact CD1-CD2 3.93Å; Y20-L24 HydrophobicContact CE1-CD2 4.29Å; Y20-L24 WeakPolarHBondContact O-CD2 3.33Å; L24-W27 WeakPolarHBondContact O-CB 3.43Å; L24-W27 PolarHBondContact O-N 3.09Å; L24-Y28 HydrophobicContact CD1-CD2 4.22Å; L24-Y28 HydrophobicContact CD1-CE2 3.68Å; L24-Y28 HydrophobicContact CD2-CE2 4.09Å; L24-Y28 HydrophobicContact CG-CD2 3.92Å; L24-Y28 HydrophobicContact CG-CE2 3.59Å; L24-Y28 WeakPolarHBondContact O-CD2 3.46Å; L24-Y28 PolarHBondContact O-N 3.39Å
25E80.8Confident77.4Confident114 Ų11498.9 Ų98.953%0.53355%0.547SS..Hα-helixtrans-63.3-42.6174.3-167.268.9-161.700111.2G21 W27 Y28 E29G21-E25 WeakPolarHBondContact O-CB 3.35Å; G21-E25 PolarHBondContact O-N 3.29Å; E25-W27 VanDerWaalsContact C-N 3.28Å; E25-W27 PolarHBondContact O-N 3.34Å; E25-Y28 PolarHBondContact O-N 3.28Å; E25-Y28 VanDerWaalsContact O-N 3.13Å; E25-E29 WeakPolarHBondContact O-CG 3.3Å; E25-E29 PolarHBondContact O-N 3.06Å
26A88.4Confident78.1Confident60 Ų6097.1 Ų97.150%0.49653%0.529SS..Hα-helixtrans-61.1-37.6175.200000112.2A22 E23 D30A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.16Å; E23-A26 PolarHBondContact O-N 2.88Å; A26-D30 WeakPolarHBondContact O-CB 3.14Å; A26-D30 PolarHBondContact O-N 2.73Å
27W91.3Very high78.5Confident170 Ų17098 Ų9864%0.64454%0.538SS*.Hα-helixtrans-66.2-40172.9-103.596000112.8E23 L24 E25 L31E23-W27 PolarHBondContact O-N 3.47Å; L24-W27 WeakPolarHBondContact O-CB 3.43Å; L24-W27 PolarHBondContact O-N 3.09Å; E25-W27 VanDerWaalsContact C-N 3.28Å; E25-W27 PolarHBondContact O-N 3.34Å; W27-L31 HydrophobicContact CE3-CD1 4.16Å; W27-L31 HydrophobicContact CE3-CG 4.19Å; W27-L31 HydrophobicContact CZ3-CD2 4.49Å; W27-L31 WeakPolarHBondContact O-CB 3.2Å; W27-L31 VanDerWaalsContact O-CG 3.24Å; W27-L31 WeakPolarHBondContact O-CG 3.43Å; W27-L31 PolarHBondContact O-N 3.19Å
28Y89.4Confident78.8Confident130 Ų130103.1 Ų103.151%0.5156%0.555SS.*Hα-helixtrans-69-36.1176.6-80.5-63.4000112.6L24 E25 Q32L24-Y28 HydrophobicContact CD1-CD2 4.22Å; L24-Y28 HydrophobicContact CD1-CE2 3.68Å; L24-Y28 HydrophobicContact CD2-CE2 4.09Å; L24-Y28 HydrophobicContact CG-CD2 3.92Å; L24-Y28 HydrophobicContact CG-CE2 3.59Å; L24-Y28 WeakPolarHBondContact O-CD2 3.46Å; L24-Y28 PolarHBondContact O-N 3.39Å; E25-Y28 PolarHBondContact O-N 3.28Å; E25-Y28 VanDerWaalsContact O-N 3.13Å; Y28-Q32 WeakPolarHBondContact O-CB 3.25Å; Y28-Q32 VanDerWaalsContact O-CG 3.25Å; Y28-Q32 WeakPolarHBondContact O-CG 3.28Å; Y28-Q32 PolarHBondContact O-N 3.31Å; Y28-Q32 PolarHBondContact O-NE2 3.35Å
29E91.2Very high78.8Confident105 Ų105104.2 Ų104.249%0.49156%0.56SS.*Hα-helixtrans-65.3-45.9173.3-74.2-67.5115.200111.4E25 L31 Q32 D33E25-E29 WeakPolarHBondContact O-CG 3.3Å; E25-E29 PolarHBondContact O-N 3.06Å; E29-L31 PolarHBondContact O-N 3.13Å; E29-Q32 WeakPolarHBondContact O-CB 3.39Å; E29-Q32 PolarHBondContact O-N 2.7Å; E29-Q32 VanDerWaalsContact O-N 3.11Å; E29-D33 PolarHBondContact O-N 2.86Å
30D92.4Very high79Confident86 Ų86103 Ų10346%0.4657%0.571SS.*Hα-helixtrans-62.5-42.4178-167.956000111.7A26 Q32 D33 I34A26-D30 WeakPolarHBondContact O-CB 3.14Å; A26-D30 PolarHBondContact O-N 2.73Å; D30-Q32 VanDerWaalsContact C-N 3.3Å; D30-Q32 PolarHBondContact O-N 2.82Å; D30-D33 PolarHBondContact O-N 2.99Å; D30-I34 WeakPolarHBondContact O-CD1 3.41Å; D30-I34 VanDerWaalsContact O-CG1 3.26Å; D30-I34 WeakPolarHBondContact O-CG1 3.24Å; D30-I34 PolarHBondContact O-N 2.98Å
31L92.7Very high78.6Confident70 Ų7097.8 Ų97.837%0.36657%0.571SS.*Hα-helixtrans-63.4-35.2174-73.4172000112.6W27 E29 L35W27-L31 HydrophobicContact CE3-CD1 4.16Å; W27-L31 HydrophobicContact CE3-CG 4.19Å; W27-L31 HydrophobicContact CZ3-CD2 4.49Å; W27-L31 WeakPolarHBondContact O-CB 3.2Å; W27-L31 VanDerWaalsContact O-CG 3.24Å; W27-L31 WeakPolarHBondContact O-CG 3.43Å; W27-L31 PolarHBondContact O-N 3.19Å; E29-L31 PolarHBondContact O-N 3.13Å; L31-L35 VanDerWaalsContact O-CB 3.28Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 WeakPolarHBondContact O-CD1 3.45Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 2.88Å
32Q88.1Confident77.9Confident114 Ų114100.9 Ų100.953%0.53359%0.592SS.*Hα-helixtrans-70.4-36175.3-78.2174.970.100112.4Y28 E29 D30 G36Y28-Q32 WeakPolarHBondContact O-CB 3.25Å; Y28-Q32 VanDerWaalsContact O-CG 3.25Å; Y28-Q32 WeakPolarHBondContact O-CG 3.28Å; Y28-Q32 PolarHBondContact O-N 3.31Å; Y28-Q32 PolarHBondContact O-NE2 3.35Å; E29-Q32 WeakPolarHBondContact O-CB 3.39Å; E29-Q32 PolarHBondContact O-N 2.7Å; E29-Q32 VanDerWaalsContact O-N 3.11Å; D30-Q32 VanDerWaalsContact C-N 3.3Å; D30-Q32 PolarHBondContact O-N 2.82Å; Q32-G36 VanDerWaalsContact O-CA 3.29Å; Q32-G36 WeakPolarHBondContact O-CA 3.29Å; Q32-G36 PolarHBondContact O-N 3.15Å
33D86.5Confident76.6Confident110 Ų110106 Ų10659%0.58860%0.599SS**Hα-helixtrans-65.5-46.7175.1-17244.7000111.2E29 D30 L35 G36 S37E29-D33 PolarHBondContact O-N 2.86Å; D30-D33 PolarHBondContact O-N 2.99Å; D33-L35 PolarHBondContact O-N 3.06Å; D33-G36 PolarHBondContact O-N 3.37Å; D33-S37 WeakPolarHBondContact O-CB 3.43Å; D33-S37 PolarHBondContact O-N 2.87Å; D33-S37 PolarHBondContact O-OG 3.24Å
34I89.4Confident75.1Confident101 Ų101108.7 Ų108.752%0.51862%0.616SS.*Hα-helixtrans-61.4-44177.9-64.3163.4000111.2D30D30-I34 WeakPolarHBondContact O-CD1 3.41Å; D30-I34 VanDerWaalsContact O-CG1 3.26Å; D30-I34 WeakPolarHBondContact O-CG1 3.24Å; D30-I34 PolarHBondContact O-N 2.98Å
35L84.4Confident73.1Confident127 Ų127110.2 Ų110.267%0.66564%0.638SS**Hα-helixtrans-80.9-31.3-178.2-66.9171.2000113L31 D33 S37L31-L35 VanDerWaalsContact O-CB 3.28Å; L31-L35 WeakPolarHBondContact O-CB 3.42Å; L31-L35 WeakPolarHBondContact O-CD1 3.45Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 2.88Å; D33-L35 PolarHBondContact O-N 3.06Å; L35-S37 VanDerWaalsContact C-N 3.29Å
36G72.4Confident71.3Confident47 Ų47114 Ų11449%0.48565%0.647SS.*Hα-helixtrans-72-24.8177.400000112.9Q32 D33 D38 T39Q32-G36 VanDerWaalsContact O-CA 3.29Å; Q32-G36 WeakPolarHBondContact O-CA 3.29Å; Q32-G36 PolarHBondContact O-N 3.15Å; D33-G36 PolarHBondContact O-N 3.37Å; G36-D38 PolarHBondContact O-N 3.13Å; G36-D38 VanDerWaalsContact O-N 3.16Å; G36-T39 PolarHBondContact O-N 3.24Å
37S66.4Low68.8Low91 Ų91114.9 Ų114.964%0.63666%0.655SS**THydrogen-bonded Turntrans-61.4-19.8-179.3-72.30000115.1D33 L35D33-S37 WeakPolarHBondContact O-CB 3.43Å; D33-S37 PolarHBondContact O-N 2.87Å; D33-S37 PolarHBondContact O-OG 3.24Å; L35-S37 VanDerWaalsContact C-N 3.29Å
38D65.4Low66.3Low152 Ų152112.9 Ų112.981%0.81366%0.664SS**THydrogen-bonded Turntrans-111.6-4.1-175.6-161.227.1000114.7G36G36-D38 PolarHBondContact O-N 3.13Å; G36-D38 VanDerWaalsContact O-N 3.16Å
39T58.9Low63.8Low128 Ų128110.3 Ų110.379%0.78566%0.662SS**SBendtrans-1012.3-175.1-32.10000113.7G36G36-T39 PolarHBondContact O-N 3.24Å
40G58.8Low61.1Low73 Ų73111.5 Ų111.575%0.75368%0.68SS**SBendtrans-10952.6-173.900000115.4
41G49.7Very low58.5Low68 Ų68112.5 Ų112.570%0.70169%0.689SS**  trans88.7100.8160.100000115.8K43G41-K43 PolarHBondContact O-N 3.04Å
42A50.9Low56.5Low106 Ų106117.5 Ų117.588%0.87671%0.711SS**  trans-52.2105.8159.300000111.2
43K46.4Very low54.6Low194 Ų194121.1 Ų121.184%0.84373%0.725SS**  -123.2120.6128-76.6-177.6175.6172.10105.3G41 A45G41-K43 PolarHBondContact O-N 3.04Å; K43-A45 VanDerWaalsContact C-N 3.25Å; K43-A45 PolarHBondContact O-N 2.99Å
44L49.8Very low52.6Low172 Ų172120.8 Ų120.890%0.90172%0.72SS**  trans-3899.1154.8-83134000107.7R46L44-R46 PolarHBondContact O-N 3.45Å
45A40.8Very low51.2Low97 Ų97121 Ų12180%0.80273%0.728SS**  trans-6298.7157.700000102.9K43 A47K43-A45 VanDerWaalsContact C-N 3.25Å; K43-A45 PolarHBondContact O-N 2.99Å; A45-A47 PolarHBondContact O-N 3.01Å; A45-A47 VanDerWaalsContact O-N 3.1Å
46R43.7Very low50Low192 Ų192121.6 Ų121.673%0.72573%0.727SS**  trans-29.7119.1169.5177.8170178.590.2-4.9107.4L44 T49L44-R46 PolarHBondContact O-N 3.45Å; R46-T49 HydrophobicContact CG-CG2 4.35Å; R46-T49 VanDerWaalsContact NH2-CG2 3.31Å
47A35.8Very low49.1Very low79 Ų79127.6 Ų127.665%0.65374%0.74SS**  trans-40132168.500000107.4A45 T49A45-A47 PolarHBondContact O-N 3.01Å; A45-A47 VanDerWaalsContact O-N 3.1Å; A47-T49 PolarHBondContact O-N 2.97Å
48P39.6Very low48.7Very low128 Ų128129 Ų12983%0.83174%0.74SS**  trans-46.7112-179-24.630.9000107.6C50P48-C50 PolarHBondContact O-N 3.27Å
49T35.4Very low48.5Very low77 Ų77126.8 Ų126.847%0.47273%0.728SS.*  trans-63.3109.9171.540.40000104.8R46 A47 T51R46-T49 HydrophobicContact CG-CG2 4.35Å; R46-T49 VanDerWaalsContact NH2-CG2 3.31Å; A47-T49 PolarHBondContact O-N 2.97Å; T49-T51 VanDerWaalsContact C-N 3.28Å; T49-T51 PolarHBondContact O-N 3.18Å
50C34.6Very low48.9Very low130 Ų130125 Ų12588%0.87872%0.717SS**  trans-5195.7168.9-177.60000107.8P48 E52P48-C50 PolarHBondContact O-N 3.27Å; C50-E52 PolarHBondContact O-N 3.45Å
51T39.5Very low49.4Very low106 Ų106126.4 Ų126.465%0.6571%0.707SS**  trans-8895.7169.750.90000106.6T49 K53T49-T51 VanDerWaalsContact C-N 3.28Å; T49-T51 PolarHBondContact O-N 3.18Å; T51-K53 PolarHBondContact O-N 3.02Å
52E49.9Very low49.9Very low176 Ų176130.5 Ų130.582%0.82271%0.707SS**  trans2.782.3138-168.7-166.7158.600114.9C50C50-E52 PolarHBondContact O-N 3.45Å
53K48.8Very low50.4Low190 Ų190130.1 Ų130.183%0.82670%0.698SS**  trans-157121159.1-59-63.8167.3176.40102.3T51T51-K53 PolarHBondContact O-N 3.02Å
54E44.8Very low50.6Low103 Ų103124.8 Ų124.848%0.48168%0.684SS.*  cis-173.2131.233.8-154.6-77.6158.800103.9E56E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 2.93Å; E54-E56 VanDerWaalsContact OE2-CB 3.27Å; E54-E56 WeakPolarHBondContact OE2-CB 3.17Å; E54-E56 PolarHBondContact OE2-N 3.11Å
55P58.4Low50.8Low105 Ų105120.9 Ų120.968%0.68267%0.671SS**THydrogen-bonded Turntrans-71.3-7.4-170.425.2-31.2000115.5
56E59.4Low51.3Low140 Ų140120 Ų12065%0.65465%0.653SS**Hα-helixtrans-86.5-24.9-174.9-64.4179.4152.500113.5E54 L58 V60E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 2.93Å; E54-E56 VanDerWaalsContact OE2-CB 3.27Å; E54-E56 WeakPolarHBondContact OE2-CB 3.17Å; E54-E56 PolarHBondContact OE2-N 3.11Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-V60 PolarHBondContact O-N 3.39Å
57F54.3Low52Low173 Ų173116.3 Ų116.376%0.75965%0.652SS**Hα-helixtrans-76-24.8178.9-131.8-91000113.1L61F57-L61 PolarHBondContact O-N 3.24Å
58L58.2Low53.2Low121 Ų121122.3 Ų122.363%0.63466%0.658SS**Hα-helixtrans-73.9-39.1174.2-92.5163000111.6E56 V60 L61 E62E56-L58 VanDerWaalsContact C-N 3.35Å; L58-V60 VanDerWaalsContact C-N 3.32Å; L58-V60 PolarHBondContact O-N 3.45Å; L58-L61 CarbonylContact O-C 3.57Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 2.85Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L58-E62 WeakPolarHBondContact O-CB 3.36Å; L58-E62 PolarHBondContact O-N 2.73Å
59D59.9Low53.9Low105 Ų105120.4 Ų120.456%0.56164%0.64SS**Hα-helixtrans-63.2-37178.2-111.916.9000112.3E62 S63D59-E62 PolarHBondContact O-N 3.16Å; D59-S63 WeakPolarHBondContact O-CB 3.38Å; D59-S63 PolarHBondContact O-N 3.47Å; D59-S63 PolarHBondContact O-OG 2.69Å
60V68.1Low54.4Low91 Ų91120.8 Ų120.855%0.55264%0.643SS**Hα-helixtrans-68.8-38.1174.3174.60000111.3E56 L58 S63 C64E56-V60 PolarHBondContact O-N 3.39Å; L58-V60 VanDerWaalsContact C-N 3.32Å; L58-V60 PolarHBondContact O-N 3.45Å; V60-S63 PolarHBondContact O-N 3.02Å; V60-C64 PolarHBondContact O-N 3.5Å; V60-C64 VanDerWaalsContact O-N 3.16Å; V60-C64 PolarHBondContact O-SG 3.04Å
61L68.6Low55Low102 Ų102121.5 Ų121.553%0.53464%0.638SS.*Hα-helixtrans-72.2-31.9177.7-155.176.2000111.8F57 L58 C64 L66F57-L61 PolarHBondContact O-N 3.24Å; L58-L61 CarbonylContact O-C 3.57Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 2.85Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L61-C64 PolarHBondContact O-N 3.42Å; L61-L66 WeakPolarHBondContact O-CD1 3.26Å
62E61.5Low55.5Low153 Ų153118.3 Ų118.372%0.71563%0.626SS**Hα-helixtrans-73.3-34.1173.6-169.4170.1-166.600111.9L58 D59 C64L58-E62 WeakPolarHBondContact O-CB 3.36Å; L58-E62 PolarHBondContact O-N 2.73Å; D59-E62 PolarHBondContact O-N 3.16Å; E62-C64 VanDerWaalsContact C-N 3.28Å; E62-C64 PolarHBondContact O-N 3.04Å
63S62Low55.4Low99 Ų99116.9 Ų116.969%0.69262%0.624SS**Hα-helixtrans-69.3-24.9172.8-64.20000113.1D59 V60 S65D59-S63 WeakPolarHBondContact O-CB 3.38Å; D59-S63 PolarHBondContact O-N 3.47Å; D59-S63 PolarHBondContact O-OG 2.69Å; V60-S63 PolarHBondContact O-N 3.02Å; S63-S65 PolarHBondContact O-N 3.02Å
64C49.8Very low55.3Low81 Ų81114.3 Ų114.355%0.54762%0.615SS.*SBendtrans-81.488.9170.2-67.70000108.7V60 L61 E62 L66V60-C64 PolarHBondContact O-N 3.5Å; V60-C64 VanDerWaalsContact O-N 3.16Å; V60-C64 PolarHBondContact O-SG 3.04Å; L61-C64 PolarHBondContact O-N 3.42Å; E62-C64 VanDerWaalsContact C-N 3.28Å; E62-C64 PolarHBondContact O-N 3.04Å; C64-L66 PolarHBondContact O-N 3.42Å
65S53.7Low55.3Low90 Ų90114.1 Ų114.163%0.62962%0.621SS**  trans-37105.4-178.3-58.40000113.3S63 T67S63-S65 PolarHBondContact O-N 3.02Å; S65-T67 PolarHBondContact O-N 3.33Å; S65-T67 PolarHBondContact O-OG1 3.48Å
66L52.2Low54.8Low78 Ų78120.3 Ų120.341%0.40863%0.631SS.*  trans-72.835.9-179-120.287.8000112.7L61 C64 W68 L69L61-L66 WeakPolarHBondContact O-CD1 3.26Å; C64-L66 PolarHBondContact O-N 3.42Å; L66-W68 PolarHBondContact O-N 3.05Å; L66-W68 VanDerWaalsContact O-N 3.13Å; L66-L69 HydrophobicContact CD2-CB 3.92Å; L66-L69 HydrophobicContact CD2-CD1 3.78Å; L66-L69 HydrophobicContact CD2-CG 4.49Å; L66-L69 HydrophobicContact CG-CB 4.22Å; L66-L69 HydrophobicContact CG-CD1 3.94Å; L66-L69 PolarHBondContact O-N 2.94Å
67T58.5Low54.1Low116 Ų116118 Ų11871%0.71264%0.636SS**THydrogen-bonded Turntrans-65.5-18.7-173.341.80000113.7S65S65-T67 PolarHBondContact O-N 3.33Å; S65-T67 PolarHBondContact O-OG1 3.48Å
68W59.8Low53.3Low204 Ų204117.1 Ų117.177%0.77363%0.634SS**THydrogen-bonded Turntrans-93.6-4.9179.256.2-87.8000114.5L66L66-W68 PolarHBondContact O-N 3.05Å; L66-W68 VanDerWaalsContact O-N 3.13Å
69L55.7Low52.4Low88 Ų88114.7 Ų114.746%0.46164%0.638SS.*THydrogen-bonded Turntrans-102.2-16.3180-94.5157.2000114.1L66L66-L69 HydrophobicContact CD2-CB 3.92Å; L66-L69 HydrophobicContact CD2-CD1 3.78Å; L66-L69 HydrophobicContact CD2-CG 4.49Å; L66-L69 HydrophobicContact CG-CB 4.22Å; L66-L69 HydrophobicContact CG-CD1 3.94Å; L66-L69 PolarHBondContact O-N 2.94Å
70T45.1Very low51.5Low86 Ų86116.2 Ų116.253%0.52865%0.651SS.*THydrogen-bonded Turntrans-86-19.6-175.7-58.50000113.9
71D47.1Very low50Low144 Ų144119.8 Ų119.877%0.7766%0.662SS**THydrogen-bonded Turntrans-97.412.6-174.1-158.734.8000114.7
72G49.3Very low48.7Very low40 Ų40126.3 Ų126.341%0.41268%0.679SS.*SBendtrans-113.8-22.2178.600000115.2
73N48.8Very low47.3Very low146 Ų146126 Ų12678%0.78169%0.688SS**SBendtrans-112.1-3.2-164.6-97.739.3000115.5
74Q46Very low46Very low136 Ų136127 Ų12764%0.63669%0.69SS**SBendtrans-105.3-14-177.7-66.9-173.783.900114.6
75T44.9Very low45.6Very low98 Ų98131.3 Ų131.360%0.60170%0.702SS**THydrogen-bonded Turntrans-82.2-15.5-175.752.70000114.2
76W47.9Very low44.5Very low235 Ų235134.9 Ų134.989%0.8971%0.709SS**THydrogen-bonded Turntrans-84.9-6.8178.5-64.393.7000114.3
77A45.3Very low43.9Very low92 Ų92138.8 Ų138.876%0.7673%0.728SS**THydrogen-bonded Turntrans-111.9-14.9-17400000115.4
78E37.1Very low42.9Very low155 Ų155139.4 Ų139.472%0.72472%0.723SS**SBendtrans-126.339.1-171-161.1110.3-144.300112.5
79G39.6Very low41.5Very low69 Ų69135.5 Ų135.571%0.71172%0.722SS**SBendtrans-1013.4179.700000115.4
80V41.7Very low40.5Very low137 Ų137137.7 Ų137.783%0.8374%0.739SS**  trans-136.466.4-177.6-170.20000110.1
81Q36.4Very low40Very low167 Ų167141.5 Ų141.578%0.7875%0.751SS**  trans-129.8121.6153-71.3-156.973.600110.2
82R41.5Very low39.6Very low238 Ų238140.3 Ų140.390%0.89875%0.751SS**  trans-54136.9-178.7-53.2170.9-65.7-167.52.2110.8
83T31.5Very low38.8Very low148 Ų148143.7 Ų143.791%0.90876%0.759SS**  trans-115.688.3149.151.10000107.9
84T35.2Very low38Very low118 Ų118145.9 Ų145.972%0.72476%0.764SS**  trans-85.3117.7153.6-118.30000105.4
85E39.9Very low37.3Very low173 Ų173146.2 Ų146.281%0.80877%0.765SS**  trans44.2114.1142.6-47.2-176-167.400119.3
86E30.2Very low36.7Very low164 Ų164148.6 Ų148.677%0.76678%0.78SS**  trans-160.5124.5134.1-126.6-175.5141.400111.7H88E86-H88 VanDerWaalsContact CB-NE2 3.32Å; E86-H88 WeakPolarHBondContact CB-NE2 3.42Å; E86-H88 WeakPolarHBondContact CG-NE2 3.4Å; E86-H88 IonicContact OE1-CE1 3.01Å; E86-H88 PolarHBondContact OE1-CE1 3.02Å; E86-H88 IonicContact OE1-NE2 2.85Å; E86-H88 PolarHBondContact OE1-NE2 3.5Å; E86-H88 IonicContact OE2-NE2 3.84Å
87I39.7Very low36.1Very low160 Ų160142.8 Ų142.882%0.82178%0.775SS**  trans-88.3110.9179.8-65157.6000107.9
88H37.8Very low35.5Very low130 Ų130144 Ų14460%0.60278%0.778SS**  trans-14297164.3-45-93.5000110.9E86 T90E86-H88 VanDerWaalsContact CB-NE2 3.32Å; E86-H88 WeakPolarHBondContact CB-NE2 3.42Å; E86-H88 WeakPolarHBondContact CG-NE2 3.4Å; E86-H88 IonicContact OE1-CE1 3.01Å; E86-H88 PolarHBondContact OE1-CE1 3.02Å; E86-H88 IonicContact OE1-NE2 2.85Å; E86-H88 PolarHBondContact OE1-NE2 3.5Å; E86-H88 IonicContact OE2-NE2 3.84Å; H88-T90 PolarHBondContact O-N 3.12Å
89T30.6Very low35.5Very low121 Ų121141.9 Ų141.974%0.74278%0.781SS**  6.1111.6125.9-63.70000115.5
90T35.9Very low35.4Very low134 Ų134143.7 Ų143.782%0.82278%0.782SS**  176.7127.1118.430.80000110.2H88H88-T90 PolarHBondContact O-N 3.12Å
91Q32.8Very low35.1Very low167 Ų167142 Ų14278%0.7878%0.776SS**  trans-72168.4164-70.2-159.1-12.800111
92P39.4Very low35.2Very low118 Ų118139 Ų13977%0.76677%0.774SS**  -142.4136.294.930.8-12.4000116.2
93L31.9Very low34.9Very low112 Ų112132.5 Ų132.559%0.58677%0.765SS**  trans36.8115.1132.9-72.5157.5000119.7
94H32.2Very low35.1Very low191 Ų191130.4 Ų130.488%0.88476%0.756SS**  -151.8150122.8-83.8-71.7000110
95H32Very low35.2Very low144 Ų144129.5 Ų129.567%0.66776%0.755SS**  trans-92.1147.8-154.3-47.8-97.7000113.4
96T31.5Very low34.9Very low147 Ų147126.3 Ų126.390%0.90275%0.751SS**  -166.1138.1125.250.70000110.8
97S35.9Very low35.2Very low114 Ų114123.9 Ų123.980%0.79775%0.753SS**  trans-76.9152.8-167.1-42.50000115.9
98S33.4Very low35Very low116 Ų116121.4 Ų121.481%0.81175%0.75SS**  173.3132.7108.9-69.70000113.5
99S36.9Very low34.9Very low112 Ų112120.7 Ų120.778%0.78376%0.759SS**  trans-43.7163.2168.340.60000116.1
100S37.4Very low35.2Very low106 Ų106120.8 Ų120.874%0.74177%0.765SS**  cis-17515511.2360000104.8
101S35.6Very low35.3Very low102 Ų102119 Ų11971%0.71376%0.758SS**  172.8149.364.140.80000111
102S37.8Very low35.3Very low105 Ų105115.7 Ų115.773%0.73475%0.752SS**  trans62.3134.9148.452.30000119.3
103S36.3Very low35.4Very low100 Ų100117.9 Ų117.970%0.69975%0.754SS**  cis177.2146.19.840.50000109.6
104S35.7Very low35.8Very low104 Ų104118 Ų11873%0.72776%0.764SS**  trans49.1138.5141.6500000121
105S36.1Very low36.2Very low99 Ų99115.3 Ų115.369%0.69276%0.764SS**  cis-176.3166.85.8-68.60000109
106S34.7Very low36.3Very low106 Ų106112.6 Ų112.674%0.74177%0.766SS**  trans87.296.3143-46.90000121.3
107S35.8Very low36.4Very low114 Ų114112.2 Ų112.280%0.79776%0.763SS**  44133115.8-46.20000123.8
108S35.5Very low36.7Very low108 Ų108113.9 Ų113.976%0.75577%0.769SS**  trans105104.6134.9-60.30000120.2
109S35.8Very low37.2Very low114 Ų114117.1 Ų117.180%0.79777%0.771SS**  56.3145.3117.8-570000123.4
110S37.8Very low37.1Very low123 Ų123120.5 Ų120.586%0.8677%0.774SS**  trans89.8145.4164.584.90000114.9
111S36.6Very low37Very low98 Ų98125.2 Ų125.269%0.68578%0.776SS**  cis-165.7153.2-7.11700000106.1
112C34Very low36.8Very low97 Ų97127.4 Ų127.466%0.65578%0.775SS**  trans-50.9150.4163.948.60000113.2
113M41.2Very low36.8Very low163 Ų163129.3 Ų129.380%0.80378%0.782SS**  trans-167.3126.9137.5-86.3-47.99400110.2
114S38.8Very low37Very low115 Ų115131.7 Ų131.780%0.80478%0.782SS**  trans-75.1160.4164.5-47.40000110.7
115P42.4Very low37.1Very low135 Ų135131.8 Ų131.888%0.87779%0.789SS**  trans-100.4139.9156.633.4-24.3000111.4
116A32.5Very low37.3Very low87 Ų87135.2 Ų135.272%0.71979%0.794SS**  trans-108.6147.9179.100000110.4
117V34.3Very low37.4Very low138 Ų138135.5 Ų135.584%0.83680%0.796SS**  trans24.4132.1150.6-68.70000121.6
118V41.5Very low37.4Very low150 Ų150133.6 Ų133.691%0.90980%0.795SS**  trans-136.3125.5141.6164.90000109
119E44Very low37.8Very low183 Ų183139.5 Ų139.586%0.85580%0.8SS**  trans-91.8145.6169.5-114.7-175.212400109.8
120E34.7Very low37.8Very low184 Ų184142 Ų14286%0.8681%0.805SS**  trans-169.6107.3133.8-115.2-154.7128.600113.7
121R35.4Very low38Very low204 Ų204140.8 Ų140.877%0.7780%0.802SS**  50.7104.3120.2-151.1162.3-172.2-119.7-0.7123.4
122Q32.6Very low38.3Very low148 Ų148143.9 Ų143.969%0.69281%0.811SS**  47.7120.9118.3-167.6176.9-9.600122.4
123V37.1Very low38.6Very low146 Ų146144 Ų14489%0.88581%0.813SS**  trans-150.2137.5135.6-178.30000110.4
124E39.7Very low39.1Very low149 Ų149142.2 Ų142.270%0.69682%0.816SS**  trans-68.8148.6176.8-65.1169.7137.900114.1
125A38.7Very low39.3Very low106 Ų106142.8 Ų142.888%0.87682%0.816SS**  trans-155.2120.2144.700000110.6
126E41.3Very low39.5Very low172 Ų172140.4 Ų140.480%0.80482%0.816SS**  trans-86.4130.3-179.8-18172.4160.800108.2
127S35.9Very low40.1Very low111 Ų111139.5 Ų139.578%0.77682%0.815SS**  trans-156.589.5156.9-1500000110.4
128G36Very low40.9Very low75 Ų75137 Ų13777%0.77382%0.817SS**  trans-76.5136.8165.100000110.5
129R42.6Very low41.7Very low231 Ų231133.1 Ų133.187%0.87280%0.796SS**  trans-141107.3150.8-63.4-169.6-178.4-176.30.7108.8
130N35.6Very low42.6Very low166 Ų166132 Ų13289%0.88880%0.796SS**  trans-56.6130.1160.7-75.6-57000109.5
131A42.8Very low43.8Very low98 Ų98131.2 Ų131.281%0.8180%0.797SS**  trans-140.391.8154.300000107S133A131-S133 PolarHBondContact O-N 2.85Å
132D42.8Very low45.3Very low163 Ų163125.2 Ų125.287%0.87278%0.78SS**  trans-58.5110.3157.4-87.8-37.5000108
133S41.3Very low47.3Very low100 Ų100122.2 Ų122.270%0.69977%0.773SS**  trans-140.692.9150.478.60000109A131 T135A131-S133 PolarHBondContact O-N 2.85Å; S133-T135 PolarHBondContact O-N 3.06Å; S133-T135 VanDerWaalsContact O-N 3.13Å
134S50.2Low48.7Very low125 Ų125120.5 Ų120.587%0.87477%0.765SS**  trans-61.5106.6160.3-80.90000109.1
135T44.2Very low49.8Very low128 Ų128120.8 Ų120.879%0.78577%0.767SS**  trans-140.4101.2153.8-3.50000106.9S133S133-T135 PolarHBondContact O-N 3.06Å; S133-T135 VanDerWaalsContact O-N 3.13Å
136G45.9Very low50.9Low85 Ų85120.3 Ų120.388%0.87675%0.745SS**  trans-67.4144173.700000110.9
137G45Very low52Low68 Ų68115.9 Ų115.970%0.70172%0.723SS**  trans163.1101.3171.800000109.8S139G137-S139 PolarHBondContact O-N 3.33Å
138G51.6Low53.5Low86 Ų86117.3 Ų117.389%0.88772%0.717SS**  trans-58.4101.8-174.200000113.2
139S59.2Low54.6Low68 Ų68119.9 Ų119.948%0.47671%0.713SS.*  trans-96.84.1173.866.60000112.6G137 L141 F147G137-S139 PolarHBondContact O-N 3.33Å; S139-L141 VanDerWaalsContact C-N 3.26Å; S139-L141 PolarHBondContact O-N 3.49Å; S139-F147 VanDerWaalsContact O-CZ 3.3Å; S139-F147 WeakPolarHBondContact O-CZ 3.48Å
140D61.6Low55.5Low159 Ų159113.9 Ų113.985%0.8570%0.697SS**THydrogen-bonded Turntrans-86.218.8-169.4-151.424.8000114.7
141L59.3Low56.7Low167 Ų167110.5 Ų110.587%0.87469%0.687SS**THydrogen-bonded Turntrans-124.78.1179.7-67178.7000113.6S139S139-L141 VanDerWaalsContact C-N 3.26Å; S139-L141 PolarHBondContact O-N 3.49Å
142L68.4Low57.4Low78 Ų78114.4 Ų114.441%0.40869%0.688SS.*SBendtrans-111.5131.6-174.8-65.3167.8000110.1F146 F147L142-F146 HydrophobicContact CB-CB 4.12Å; L142-F146 HydrophobicContact CB-CD1 4.21Å; L142-F146 HydrophobicContact CB-CG 4.34Å; L142-F146 HydrophobicContact CD1-CD1 3.61Å; L142-F146 HydrophobicContact CD1-CE1 3.76Å; L142-F146 HydrophobicContact CD1-CG 4.41Å; L142-F146 HydrophobicContact CD2-CD1 4.24Å; L142-F146 HydrophobicContact CD2-CE1 4.46Å; L142-F146 HydrophobicContact CD2-CG 4.3Å; L142-F146 HydrophobicContact CG-CD1 4.22Å; L142-F147 HydrophobicContact CB-CE2 4Å
143P74.4Confident58.2Low85 Ų85109.7 Ų109.755%0.55268%0.678SS**  trans-52146173.3-24.833.2000110.6E145 F146P143-E145 PolarHBondContact O-N 2.94Å; P143-F146 WeakPolarHBondContact O-CB 3.44Å; P143-F146 PolarHBondContact O-N 2.83Å
144P65.2Low58.5Low110 Ų110107.6 Ų107.671%0.71467%0.672SS**Hα-helixtrans-50.5-32179.3-26.533.4000113.3F146 F147P144-F146 PolarHBondContact O-N 3.09Å; P144-F147 WeakPolarHBondContact O-CB 3.33Å; P144-F147 PolarHBondContact O-N 3.38Å
145E63.5Low58.3Low156 Ų156108.2 Ų108.273%0.72967%0.67SS**Hα-helixtrans-65.3-21178.9-53.7-146.2162.100114.1P143 F147P143-E145 PolarHBondContact O-N 2.94Å; E145-F147 VanDerWaalsContact C-N 3.34Å
146F62.5Low58.2Low95 Ų95106 Ų10642%0.41767%0.673SS.*Hα-helixtrans-76.4-24.6174.8-164.9-90.8000112.2L142 P143 P144 L150L142-F146 HydrophobicContact CB-CB 4.12Å; L142-F146 HydrophobicContact CB-CD1 4.21Å; L142-F146 HydrophobicContact CB-CG 4.34Å; L142-F146 HydrophobicContact CD1-CD1 3.61Å; L142-F146 HydrophobicContact CD1-CE1 3.76Å; L142-F146 HydrophobicContact CD1-CG 4.41Å; L142-F146 HydrophobicContact CD2-CD1 4.24Å; L142-F146 HydrophobicContact CD2-CE1 4.46Å; L142-F146 HydrophobicContact CD2-CG 4.3Å; L142-F146 HydrophobicContact CG-CD1 4.22Å; P143-F146 WeakPolarHBondContact O-CB 3.44Å; P143-F146 PolarHBondContact O-N 2.83Å; P144-F146 PolarHBondContact O-N 3.09Å; F146-L150 HydrophobicContact CD1-CD1 4.05Å; F146-L150 HydrophobicContact CD1-CG 4.47Å; F146-L150 HydrophobicContact CE1-CD1 3.92Å; F146-L150 HydrophobicContact CE1-CG 4.31Å
147F64.6Low58.6Low79 Ų79110.6 Ų110.635%0.34667%0.674SS.*Hα-helixtrans-78.2-28178.6-73-92.5000112.9S139 L142 P144 E145 L149 L150 S151S139-F147 VanDerWaalsContact O-CZ 3.3Å; S139-F147 WeakPolarHBondContact O-CZ 3.48Å; L142-F147 HydrophobicContact CB-CE2 4Å; P144-F147 WeakPolarHBondContact O-CB 3.33Å; P144-F147 PolarHBondContact O-N 3.38Å; E145-F147 VanDerWaalsContact C-N 3.34Å; F147-L149 VanDerWaalsContact C-N 3.34Å; F147-L150 PolarHBondContact O-N 3.43Å; F147-S151 WeakPolarHBondContact O-CB 3.35Å; F147-S151 PolarHBondContact O-N 3.42Å; F147-S151 PolarHBondContact O-OG 3.13Å
148E66.2Low58.8Low142 Ų142113.9 Ų113.966%0.66468%0.68SS**Hα-helixtrans-63.7-40.8174.4-75.2-173.7162.600111.2L150 S151 E152E148-L150 VanDerWaalsContact C-N 3.33Å; E148-L150 PolarHBondContact O-N 2.96Å; E148-S151 PolarHBondContact O-N 3.06Å; E148-S151 VanDerWaalsContact O-N 3.16Å; E148-E152 PolarHBondContact O-N 2.74Å
149L60.4Low58.6Low129 Ų129116 Ų11668%0.67567%0.672SS**Hα-helixtrans-63.4-34.7175.3-75.5162.2000113.4F147F147-L149 VanDerWaalsContact C-N 3.34Å
150L60.6Low58.1Low104 Ų104118.9 Ų118.955%0.54569%0.688SS.*Hα-helixtrans-78.2-30.9174.8-68.4176000112.2F146 F147 E148 E152 G153F146-L150 HydrophobicContact CD1-CD1 4.05Å; F146-L150 HydrophobicContact CD1-CG 4.47Å; F146-L150 HydrophobicContact CE1-CD1 3.92Å; F146-L150 HydrophobicContact CE1-CG 4.31Å; F147-L150 PolarHBondContact O-N 3.43Å; E148-L150 VanDerWaalsContact C-N 3.33Å; E148-L150 PolarHBondContact O-N 2.96Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-G153 PolarHBondContact O-N 3.07Å
151S60.8Low57.6Low95 Ų95116 Ų11666%0.66468%0.681SS**Hα-helixtrans-71.1-28.4178.8-59.30000112F147 E148 G153F147-S151 WeakPolarHBondContact O-CB 3.35Å; F147-S151 PolarHBondContact O-N 3.42Å; F147-S151 PolarHBondContact O-OG 3.13Å; E148-S151 PolarHBondContact O-N 3.06Å; E148-S151 VanDerWaalsContact O-N 3.16Å; S151-G153 PolarHBondContact O-N 2.93Å
152E57.8Low57Low181 Ų181112.4 Ų112.485%0.84668%0.684SS**THydrogen-bonded Turntrans-76.30.2176.1-164.9149-171.100114E148 L150E148-E152 PolarHBondContact O-N 2.74Å; L150-E152 VanDerWaalsContact C-N 3.31Å
153G58.7Low55.8Low63 Ų63113 Ų11365%0.64970%0.7SS**THydrogen-bonded Turntrans-131.243.5178.700000113.8L150 S151 V155L150-G153 PolarHBondContact O-N 3.07Å; S151-G153 PolarHBondContact O-N 2.93Å; G153-V155 PolarHBondContact O-N 2.64Å
154G47.9Very low54.5Low57 Ų57116 Ų11659%0.58872%0.716SS**  trans-75.9116.918000000114.8
155V45.8Very low53.5Low137 Ų137118.4 Ų118.483%0.8372%0.722SS**  trans62.485.9149.7-57.70000119.6G153 M157G153-V155 PolarHBondContact O-N 2.64Å; V155-M157 PolarHBondContact O-N 2.88Å
156G42.7Very low52.6Low82 Ų82116.2 Ų116.285%0.84572%0.724SS**  trans-78.197.915400000110.6V158G156-V158 PolarHBondContact O-N 3.34Å
157M54.2Low51.6Low181 Ų181116.7 Ų116.789%0.89274%0.739SS**  trans-63115.9163.8-69.6-145.47200108.6V155 D159V155-M157 PolarHBondContact O-N 2.88Å; M157-D159 PolarHBondContact O-N 2.89Å
158V50.5Low50.4Low138 Ų138115.5 Ų115.584%0.83675%0.749SS**  trans-82.2111.6170640000108.5G156G156-V158 PolarHBondContact O-N 3.34Å
159D45.8Very low49.1Very low131 Ų131118.7 Ų118.770%0.70176%0.756SS**  trans-73.3144.5170-133.1-4.9000108.7M157 S161M157-D159 PolarHBondContact O-N 2.89Å; D159-S161 PolarHBondContact O-N 3.16Å
160P50.5Low48Very low128 Ų128123.7 Ų123.783%0.83177%0.767SS**SBendtrans-77.820.9-172.832.9-32.7000113.6
161S50.1Low46.7Very low99 Ų99129.6 Ų129.669%0.69278%0.784SS**SBendtrans-123.6102.2171.2-82.50000109.2D159 A163D159-S161 PolarHBondContact O-N 3.16Å; S161-A163 PolarHBondContact O-N 3.44Å
162G46.7Very low45.5Very low91 Ų91133.7 Ų133.794%0.93879%0.793SS**  trans-56.5107.7179.400000112.7
163A43.5Very low44.5Very low90 Ų90132.3 Ų132.374%0.74479%0.786SS**  trans-147.8119.6162.800000109.4S161S161-A163 PolarHBondContact O-N 3.44Å
164V46.9Very low43.3Very low147 Ų147137.8 Ų137.889%0.89179%0.794SS**  trans-83.4118.4176.4-1740000108S166V164-S166 PolarHBondContact O-N 2.68Å
165I44.6Very low42.9Very low162 Ų162143.5 Ų143.583%0.83181%0.805SS**  trans-87.8107171.8-61.3-179.3000108.9
166S44.7Very low43.1Very low110 Ų110143 Ų14377%0.76981%0.805SS**  trans-62.2130167.81710000111.9V164V164-S166 PolarHBondContact O-N 2.68Å
167S41.2Very low42.9Very low105 Ų105143.4 Ų143.473%0.73480%0.8SS**  trans-139.1119.6158.1-162.40000105.6
168G38.3Very low41.9Very low54 Ų54142.7 Ų142.756%0.55780%0.8SS**  cis12865.219.800000108.7
169Y39.9Very low41.2Very low208 Ų208143.2 Ų143.282%0.81680%0.798SS**  trans-129.2108.7173.1-61.8-73.7000110.5
170Y36.7Very low40.7Very low234 Ų234144 Ų14492%0.91881%0.808SS**PPolyproline II helixtrans-76.6127.3169.9-82.9-95.8000109.7
171Y33.7Very low39.9Very low228 Ų228146.6 Ų146.689%0.89481%0.809SS**PPolyproline II helixtrans-95.9125.1163-94.8-88.1000109.6
172H35Very low39.6Very low182 Ų182147.8 Ų147.884%0.84381%0.814SS**PPolyproline II helixtrans-99.6122.9167.1-110.9-42.6000110.4
173Q38.2Very low38.9Very low151 Ų151148 Ų14871%0.70681%0.807SS**  trans-6.8139148.1-144.583.23000117.5
174H33.5Very low38.7Very low179 Ų179149.2 Ų149.283%0.82981%0.81SS**  171.1119.2122.8-87.1-67.6000112
175H39.1Very low38.8Very low176 Ų176147.6 Ų147.682%0.81580%0.803SS**  trans-85.5155.9154.7-73.4-81.4000108.9
176P48.7Very low38.2Very low128 Ų128145.3 Ų145.383%0.83180%0.801SS**  -144163.897.433.5-15.5000115.3
177A38.6Very low37.8Very low90 Ų90144.6 Ų144.674%0.74480%0.802SS**  trans-69.5151.6177.700000113.7
178N33.5Very low37.7Very low166 Ų166144.3 Ų144.389%0.88880%0.8SS**  trans-158.9133.2138.7-106.6-15.3000112.8
179N37Very low38.1Very low149 Ų149150.2 Ų150.280%0.79781%0.813SS**  trans-49.1140.1169.9-79.4-48.9000113.4
180T33.7Very low38.3Very low148 Ų148148.9 Ų148.991%0.90881%0.814SS**  -175.5136.9125.217.50000112.5
181H35.2Very low38.3Very low181 Ų181145.3 Ų145.384%0.83881%0.806SS**PPolyproline II helixtrans-50.8152172.2-96.1-112000114.4
182P43.4Very low38.9Very low124 Ų124142.2 Ų142.281%0.80580%0.804SS**PPolyproline II helixtrans-84.5122.6156.332.8-27.1000110.2
183A32.7Very low39.8Very low97 Ų97139.4 Ų139.480%0.80280%0.802SS**PPolyproline II helixtrans-91.7125.8162.700000108.7
184S38.5Very low39.7Very low115 Ų115138 Ų13880%0.80481%0.807SS**PPolyproline II helixtrans-66160.8157.5-51.50000109.8
185P48.3Very low40.5Very low112 Ų112136 Ų13673%0.72781%0.807SS**  -151.5158.39436-17.1000117.4
186S32.6Very low41.4Very low114 Ų114133.1 Ų133.180%0.79780%0.804SS**  trans63.2122.6143-640000120.3
187A35.8Very low40.8Very low96 Ų96134.5 Ų134.579%0.79381%0.805SS**  cis97.4116.149.600000112.4
188S40.3Very low41.1Very low98 Ų98135.4 Ų135.469%0.68581%0.806SS**  trans174.796.5153.155.70000106.3
189E46.4Very low41.9Very low178 Ų178133.7 Ų133.783%0.83280%0.803SS**  78.8145.580.180.5-159.382.400114.3
190E42.7Very low42.2Very low180 Ų180132 Ų13284%0.84180%0.803SS**  trans77.5137.3-171.3-78.9-177.650.600117.8
191E38.2Very low42.1Very low160 Ų160130.5 Ų130.575%0.74880%0.798SS**  cis-171123.4-14.4-176.7164.413800104.6
192L46.8Very low42.1Very low163 Ų163127.2 Ų127.285%0.85380%0.795SS**  trans-110138.2169.1-70.3174.1000108
193P52.1Low41.8Very low123 Ų123126.9 Ų126.980%0.79980%0.795SS**PPolyproline II helixtrans-100.1130.314829.1-22.1000110.9
194C36.5Very low42.1Very low120 Ų120127.9 Ų127.981%0.81180%0.797SS**PPolyproline II helixtrans-61.4145.3-173.1-54.20000114.4
195V50.3Low42Very low138 Ų138126.8 Ų126.884%0.83680%0.795SS**PPolyproline II helixtrans-76.8125.2161.7-153.30000107.7
196P58.8Low41.5Very low116 Ų116126.6 Ų126.675%0.75380%0.796SS**PPolyproline II helixtrans-84.2154.6173.730.8-30.9000112.7
197D34.6Very low41.8Very low156 Ų156130.4 Ų130.483%0.83480%0.801SS**PPolyproline II helixtrans-64162.3-162.7-63.8-73.9000118
198S45.1Very low42.1Very low110 Ų110130.8 Ų130.877%0.76980%0.798SS**PPolyproline II helixtrans-51.6159.2162.7-43.70000113.4
199P52.2Low42.5Very low129 Ų129132.4 Ų132.484%0.83881%0.807SS**  trans-114.8109.9144.332.2-23.7000111.3
200S42Very low42.3Very low113 Ų113128.9 Ų128.979%0.7980%0.802SS**  trans-71.5134.8142.1-86.90000108.3
201C32.2Very low42.3Very low118 Ų118129 Ų12980%0.79780%0.802SS**  trans-175118.4136.9-95.90000112.3
202S34.1Very low42.2Very low112 Ų112128.1 Ų128.178%0.78380%0.803SS**  76.9112.3123.3-55.20000121.9
203S37Very low41.5Very low116 Ų116126.1 Ų126.181%0.81180%0.801SS**  trans-24.5144149.9-49.30000119.1
204S40.2Very low41Very low119 Ų119125.5 Ų125.583%0.83280%0.799SS**  trans-159.5104.8138.7-75.10000106.5
205A36.8Very low41.6Very low92 Ų92125.2 Ų125.276%0.7680%0.796SS**  65.8111.584.200000115.1
206S37.5Very low41.5Very low108 Ų108125 Ų12576%0.75580%0.797SS**  trans84107.3146.8-540000120.1
207Q38.1Very low40.3Very low193 Ų193124.9 Ų124.990%0.90280%0.799SS**  -177.5123.199.8-98.4172.577.400112
208S42.6Very low40.6Very low105 Ų105122.9 Ų122.973%0.73480%0.797SS**  trans-83.8163.1162.8-50.40000110.1
209P47.7Very low40.7Very low132 Ų132123.5 Ų123.586%0.85780%0.799SS**  -129.5142.7115.534.8-26.2000113
210S42.2Very low40.1Very low104 Ų104123.6 Ų123.673%0.72780%0.797SS**  trans-71.4135-180-41.90000112.8
211Q43.4Very low39.6Very low182 Ų182123.9 Ų123.985%0.8580%0.799SS**  trans-152.985.2149.9-69.5-70.2-6.700105
212N36.8Very low39.9Very low142 Ų142123.7 Ų123.776%0.75980%0.799SS**  41.3102.994.1-140.827.9000113.2
213C31.7Very low40.6Very low120 Ų120124.3 Ų124.381%0.81180%0.8SS**  168.9136.2120.1-850000112.5
214S41.6Very low40.4Very low110 Ų110124.4 Ų124.477%0.76980%0.801SS**PPolyproline II helixtrans-57.1166.2-174-50.70000117.5
215P47.9Very low40Very low114 Ų114122.3 Ų122.374%0.7480%0.798SS**PPolyproline II helixtrans-75.1142.6172.831.8-34.3000111.3
216P48.7Very low40.1Very low133 Ų133128.5 Ų128.586%0.86480%0.803SS**PPolyproline II helixtrans-78.5129.7171.529.7-30.5000111.2
217S34.8Very low39.8Very low114 Ų114129.3 Ų129.380%0.79781%0.809SS**PPolyproline II helixtrans-64.3155.3174.9-48.50000113.6
218S41Very low39.6Very low114 Ų114125.1 Ų125.180%0.79780%0.801SS**PPolyproline II helixtrans-48.6153.5166-35.50000113.5
219P45.4Very low39.3Very low124 Ų124125.6 Ų125.681%0.80581%0.805SS**  trans-103115147.831.3-23.2000110.3
220V40.4Very low39.1Very low131 Ų131130.2 Ų130.279%0.79481%0.805SS**  trans-59.5130.6151.354.50000108.9
221S32.2Very low39Very low119 Ų119133.8 Ų133.883%0.83282%0.815SS**  trans-168.2106.1152.1-82.40000111.1
222S37.2Very low38.5Very low114 Ų114128.4 Ų128.480%0.79781%0.808SS**  trans-112.3148.6145.5-73.20000105.3
223P49.1Very low38.9Very low124 Ų124130.7 Ų130.781%0.80581%0.811SS**  -154170.670.538.8-17.7000117.7
224S33.3Very low39.4Very low119 Ų119136 Ų13683%0.83281%0.814SS**  trans77.3115.7144.3-165.30000119.7
225G30.8Very low39.4Very low75 Ų75139.9 Ų139.977%0.77382%0.817SS**  trans-169.882.3162.600000110.2S227G225-S227 PolarHBondContact O-N 2.88Å
226Y38.9Very low39.3Very low221 Ų221146 Ų14687%0.86783%0.825SS**  trans-48.9128.9165.4-107.3-108.8000110.6
227S31.5Very low38.7Very low126 Ų126145.2 Ų145.288%0.88182%0.818SS**  trans-160.5102.1142.2-87.20000110.4G225G225-S227 PolarHBondContact O-N 2.88Å
228S34.3Very low38.9Very low104 Ų104145.7 Ų145.773%0.72782%0.822SS**  trans-85.9126.3167.3-1630000107.7
229S36.4Very low38.8Very low116 Ų116145.7 Ų145.781%0.81182%0.822SS**  trans-151.6110.3151.265.20000111.3
230R42.4Very low38.6Very low228 Ų228147.3 Ų147.386%0.8682%0.819SS**  trans-62.8141.3168.3-60.2165.5175.9-115.1-1.1110.9
231L40.5Very low38.6Very low180 Ų180151.4 Ų151.494%0.94282%0.82SS**  trans-171.6125.9147.6-95.5131.9000105.3
232G34.3Very low39Very low68 Ų68149.4 Ų149.470%0.70181%0.811SS**  cis123.288.228.600000109
233K43.5Very low38.8Very low190 Ų190151.6 Ų151.683%0.82681%0.813SS**  trans43.9123.8148.8-61.3-174.1177.9177.40121.2
234R42.3Very low38.2Very low232 Ų232151.1 Ų151.188%0.87581%0.813SS**  trans55.5124.4131.6-65.4168.733.5170.3-6.4119.4
235K41.3Very low38.8Very low192 Ų192150.1 Ų150.184%0.83581%0.812SS**  -162.7125.5124-163137.8173.2-171.90113T237K235-T237 HydrophobicContact CG-CG2 4.28Å
236R47.3Very low39.6Very low241 Ų241154.9 Ų154.991%0.90982%0.819SS**  trans-71.5136.7157.9-79.2176.7164.3131-3.6108.6
237T36.1Very low39.4Very low117 Ų117150.2 Ų150.272%0.71882%0.818SS**  trans-142.1107.2152.1500000109.9K235K235-T237 HydrophobicContact CG-CG2 4.28Å
238S39.5Very low39.9Very low124 Ų124149.7 Ų149.787%0.86781%0.814SS**  trans-60.3133.1147.4175.90000108.4
239S38.7Very low40.2Very low114 Ų114153.3 Ų153.380%0.79782%0.817SS**  trans-150.6116.1161.2-176.60000108.5
240E40.5Very low40.3Very low158 Ų158153.5 Ų153.574%0.73882%0.819SS**  trans-77.9150.5173.8-159-17712000110.1
241R40Very low40.5Very low218 Ų218148.2 Ų148.282%0.82382%0.816SS**  trans95.8117.6145.2-141.9168.4-166.8161.83.3120.5
242A39.9Very low40.4Very low77 Ų77144.6 Ų144.664%0.63681%0.806SS**  trans67.5112.614600000119
243N35Very low41.1Very low160 Ų160150.1 Ų150.186%0.85682%0.816SS**  -172.9152106.8-91.1-49.2000111.6
244S34.9Very low41.1Very low114 Ų114149.6 Ų149.680%0.79782%0.817SS**  trans87.172.8167.6-49.80000116.7
245A45.5Very low41.4Very low97 Ų97150.5 Ų150.580%0.80282%0.82SS**  trans-55.9131.2138.200000108.7
246L48.9Very low42Very low176 Ų176146 Ų14692%0.92181%0.813SS**  trans167.884.1145.7-86.6-179.4000108.2
247S35.2Very low42Very low122 Ų122139.4 Ų139.485%0.85380%0.804SS**  trans-172.478147.4-1750000108.9
248S41.9Very low42.5Very low115 Ų115143.5 Ų143.580%0.80481%0.808SS**  trans-113.9103.8162.8-620000106.6
249F40.7Very low43Very low181 Ų181143.4 Ų143.479%0.79481%0.807SS**  trans158.498.9134.5-106-93.8000110.4
250S38.4Very low43.7Very low120 Ų120142.7 Ų142.784%0.83980%0.802SS**  trans-164.479.2141.1-80.30000107.3S252S250-S252 PolarHBondContact O-N 3.47Å
251S47Very low44.3Very low116 Ų116141 Ų14181%0.81180%0.802SS**  trans-64.688.4158.77.70000107.3
252S36.5Very low45Very low104 Ų104140.3 Ų140.373%0.72781%0.805SS**  trans-106.3126166.4-170.50000109S250 Q254S250-S252 PolarHBondContact O-N 3.47Å; S252-Q254 PolarHBondContact O-N 3.29Å
253M50.2Low46.3Very low185 Ų185140.6 Ų140.691%0.91179%0.792SS**  trans-71.480.9-168.7-133.6111.466.500111.1
254Q43.8Very low48.3Very low179 Ų179136.4 Ų136.484%0.83678%0.776SS**  trans-115.680.1161.4-74.5-162.7-49.800109.8S252 S256S252-Q254 PolarHBondContact O-N 3.29Å; Q254-S256 PolarHBondContact O-N 3.45Å
255R48.3Very low50.7Low250 Ų250140.5 Ų140.594%0.94377%0.773SS**  trans-92.877.9164.4-86.7-171.2164.8-141.9-0.3109.4
256S52.8Low52.7Low97 Ų97143.6 Ų143.668%0.67877%0.769SS**  trans-178.8122.4161.9135.50000102.9Q254Q254-S256 PolarHBondContact O-N 3.45Å
257S48.5Very low54.6Low104 Ų104140.3 Ų140.373%0.72775%0.749SS**SBendcis-159.2109.729.1-75.80000107.9
258Y47.2Very low57.3Low203 Ų203142.2 Ų142.280%0.79674%0.737SS**  trans-174.660.5154.562.8-82.5000110.8S260Y258-S260 PolarHBondContact O-N 2.96Å
259S48Very low59.6Low121 Ų121140.7 Ų140.785%0.84672%0.718SS**  trans-75.847.8154.754.80000109.8
260S54.4Low62.2Low100 Ų100137 Ų13770%0.69970%0.703SS**  trans-89.5-4.1-166.8129.70000114Y258Y258-S260 PolarHBondContact O-N 2.96Å
261T53.9Low64.9Low121 Ų121136.5 Ų136.574%0.74269%0.687SS**SBendtrans-120.30.1-168.3480000118.1
262K54.4Low67.2Low204 Ų204135.7 Ų135.789%0.88767%0.674SS**  trans-159.659.3165.2-63.4-167.9-179.5172.20113.5
263K66Low70.1Confident83 Ų83137.2 Ų137.236%0.36167%0.669SS.*  trans-70.1131160.468.3172.9176.3177.80108.8E267 R268 E271K263-E267 WeakPolarHBondContact CA-OE2 3.44Å; K263-E267 WeakPolarHBondContact CB-OE2 3.42Å; K263-R268 HydrophobicContact CD-CB 4.04Å; K263-R268 HydrophobicContact CG-CB 4.43Å; K263-E271 IonicContact NZ-OE2 3.72Å; K263-E271 PolarHBondContact NZ-OE2 3.47Å
264S78.3Confident72.3Confident73 Ų73136.2 Ų136.251%0.5166%0.655SS.*  trans-61.1141.9-179.4179.70000108.6K266 E267 R268S264-K266 PolarHBondContact O-N 2.91Å; S264-E267 PolarHBondContact N-OE2 2.95Å; S264-E267 WeakPolarHBondContact O-CA 3.38Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.25Å; S264-R268 PolarHBondContact O-N 3.45Å; S264-R268 VanDerWaalsContact O-N 3.12Å
265R85.4Confident74.9Confident199 Ų199133.6 Ų133.675%0.75164%0.641SS**Hα-helixtrans-47.7-40.5176.3177.5-179.2170.4-170.82.3111.3E267 R268 E269R265-E267 PolarHBondContact O-N 3.42Å; R265-R268 PolarHBondContact O-N 2.98Å; R265-E269 WeakPolarHBondContact CG-OE1 3.24Å; R265-E269 IonicContact CZ-OE1 3.56Å; R265-E269 IonicContact NE-OE1 2.85Å; R265-E269 PolarHBondContact NE-OE1 2.82Å; R265-E269 IonicContact NH2-OE1 3.5Å; R265-E269 PolarHBondContact NH2-OE1 3.1Å; R265-E269 WeakPolarHBondContact O-CG 3.48Å; R265-E269 PolarHBondContact O-N 3.02Å
266K86.9Confident77.3Confident163 Ų163125.5 Ų125.571%0.70962%0.62SS**Hα-helixtrans-64.5-35.4177.2-173.4172.1-178.3173.10114S264 Q270S264-K266 PolarHBondContact O-N 2.91Å; K266-Q270 PolarHBondContact O-N 2.94Å
267E89.6Confident79.5Confident107 Ų107127.7 Ų127.750%0.562%0.619SS.*Hα-helixtrans-70.7-39.6177.1-177.5-172.4-176.900111K263 S264 R265 Q270 E271K263-E267 WeakPolarHBondContact CA-OE2 3.44Å; K263-E267 WeakPolarHBondContact CB-OE2 3.42Å; S264-E267 PolarHBondContact N-OE2 2.95Å; S264-E267 WeakPolarHBondContact O-CA 3.38Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.25Å; R265-E267 PolarHBondContact O-N 3.42Å; E267-Q270 PolarHBondContact O-N 3.48Å; E267-E271 WeakPolarHBondContact O-CB 3.38Å; E267-E271 PolarHBondContact O-N 2.92Å
268R90.9Very high81.9Confident161 Ų161128.3 Ų128.361%0.60861%0.61SS**Hα-helixtrans-64.1-40.6174.1-178.3-177.7-118.2161.90.3111.9K263 S264 R265 E271 N272K263-R268 HydrophobicContact CD-CB 4.04Å; K263-R268 HydrophobicContact CG-CB 4.43Å; S264-R268 PolarHBondContact O-N 3.45Å; S264-R268 VanDerWaalsContact O-N 3.12Å; R265-R268 PolarHBondContact O-N 2.98Å; R268-E271 PolarHBondContact O-N 3.22Å; R268-N272 WeakPolarHBondContact O-CB 3.35Å; R268-N272 PolarHBondContact O-N 3.45Å
269E91.2Very high84.3Confident84 Ų84123 Ų12339%0.39360%0.595SS.*Hα-helixtrans-63.7-45.6177.1-74.8164.4-176.400110.5R265 E271 N272 E273R265-E269 WeakPolarHBondContact CG-OE1 3.24Å; R265-E269 IonicContact CZ-OE1 3.56Å; R265-E269 IonicContact NE-OE1 2.85Å; R265-E269 PolarHBondContact NE-OE1 2.82Å; R265-E269 IonicContact NH2-OE1 3.5Å; R265-E269 PolarHBondContact NH2-OE1 3.1Å; R265-E269 WeakPolarHBondContact O-CG 3.48Å; R265-E269 PolarHBondContact O-N 3.02Å; E269-E271 PolarHBondContact O-N 3.34Å; E269-N272 WeakPolarHBondContact O-CB 3.46Å; E269-N272 PolarHBondContact O-N 2.92Å; E269-N272 VanDerWaalsContact O-N 3.13Å; E269-E273 WeakPolarHBondContact O-CG 3.4Å; E269-E273 PolarHBondContact O-N 3.26Å
270Q94.9Very high86.7Confident103 Ų103121.4 Ų121.448%0.48158%0.581SS.*Hα-helixtrans-64.3-38.1176.9-172.3173.655.900113.4K266 E267 N272 E273 R274K266-Q270 PolarHBondContact O-N 2.94Å; E267-Q270 PolarHBondContact O-N 3.48Å; Q270-N272 VanDerWaalsContact C-N 3.32Å; Q270-E273 PolarHBondContact O-N 2.96Å; Q270-R274 WeakPolarHBondContact O-CG 3.31Å; Q270-R274 PolarHBondContact O-N 3.33Å
271E94.6Very high88.8Confident109 Ų109120.8 Ų120.851%0.50957%0.567SS.*Hα-helixtrans-64.1-39173.2-176.3-173.5-17300111.5K263 E267 R268 E269 R274 K275K263-E271 IonicContact NZ-OE2 3.72Å; K263-E271 PolarHBondContact NZ-OE2 3.47Å; E267-E271 WeakPolarHBondContact O-CB 3.38Å; E267-E271 PolarHBondContact O-N 2.92Å; R268-E271 PolarHBondContact O-N 3.22Å; E269-E271 PolarHBondContact O-N 3.34Å; E271-R274 PolarHBondContact O-N 3.47Å; E271-K275 WeakPolarHBondContact O-CB 3.48Å; E271-K275 PolarHBondContact O-N 3.46Å
272N95.9Very high91Very high100 Ų100119 Ų11954%0.53555%0.55SS.*Hα-helixtrans-65.3-45.6176.6-164.4-10.7000111.1R268 E269 Q270 R274 K275 V276R268-N272 WeakPolarHBondContact O-CB 3.35Å; R268-N272 PolarHBondContact O-N 3.45Å; E269-N272 WeakPolarHBondContact O-CB 3.46Å; E269-N272 PolarHBondContact O-N 2.92Å; E269-N272 VanDerWaalsContact O-N 3.13Å; Q270-N272 VanDerWaalsContact C-N 3.32Å; N272-R274 VanDerWaalsContact C-N 3.32Å; N272-R274 PolarHBondContact O-N 3.28Å; N272-K275 CarbonylContact O-C 3.59Å; N272-K275 WeakPolarHBondContact O-CB 3.47Å; N272-K275 PolarHBondContact O-N 2.98Å; N272-K275 VanDerWaalsContact O-N 3.09Å; N272-V276 WeakPolarHBondContact O-CG2 3.34Å; N272-V276 PolarHBondContact O-N 3.09Å
273E96.7Very high93.1Very high135 Ų135113.4 Ų113.463%0.63153%0.53SS*.Hα-helixtrans-57.1-44.4174.9-72.5173.6-17700112.1E269 Q270 K275 V276 Q277E269-E273 WeakPolarHBondContact O-CG 3.4Å; E269-E273 PolarHBondContact O-N 3.26Å; Q270-E273 PolarHBondContact O-N 2.96Å; E273-K275 VanDerWaalsContact C-N 3.33Å; E273-K275 PolarHBondContact O-N 3.34Å; E273-V276 PolarHBondContact O-N 3.5Å; E273-Q277 PolarHBondContact O-N 2.81Å
274R97.2Very high94.6Very high164 Ų164115.6 Ų115.662%0.61954%0.541SS*.Hα-helixtrans-60.7-43.4174.6-73.3179.7-175.8-177.23112Q270 E271 N272 V276 Q277 E278Q270-R274 WeakPolarHBondContact O-CG 3.31Å; Q270-R274 PolarHBondContact O-N 3.33Å; E271-R274 PolarHBondContact O-N 3.47Å; N272-R274 VanDerWaalsContact C-N 3.32Å; N272-R274 PolarHBondContact O-N 3.28Å; R274-V276 VanDerWaalsContact C-N 3.34Å; R274-Q277 PolarHBondContact O-N 2.81Å; R274-E278 WeakPolarHBondContact O-CB 3.25Å; R274-E278 PolarHBondContact O-N 3.11Å
275K98.2Very high95.6Very high125 Ų125118.4 Ų118.454%0.54354%0.541SS..Hα-helixtrans-65.3-38.5178.1-171.6171.4-176173.70112E271 N272 E273 Q277 E278 L279E271-K275 WeakPolarHBondContact O-CB 3.48Å; E271-K275 PolarHBondContact O-N 3.46Å; N272-K275 CarbonylContact O-C 3.59Å; N272-K275 WeakPolarHBondContact O-CB 3.47Å; N272-K275 PolarHBondContact O-N 2.98Å; N272-K275 VanDerWaalsContact O-N 3.09Å; E273-K275 VanDerWaalsContact C-N 3.33Å; E273-K275 PolarHBondContact O-N 3.34Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-E278 PolarHBondContact O-N 2.92Å; K275-L279 HydrophobicContact CG-CD1 4.07Å; K275-L279 HydrophobicContact CG-CG 4.37Å; K275-L279 VanDerWaalsContact O-CB 3.31Å; K275-L279 WeakPolarHBondContact O-CB 3.48Å; K275-L279 VanDerWaalsContact O-CG 3.24Å; K275-L279 WeakPolarHBondContact O-CG 3.32Å; K275-L279 PolarHBondContact O-N 3.4Å
276V98.6Very high96.2Very high80 Ų80113.6 Ų113.649%0.48553%0.529SS..Hα-helixtrans-61.7-44.7173.9169.50000110.2N272 E273 R274 L279 T280N272-V276 WeakPolarHBondContact O-CG2 3.34Å; N272-V276 PolarHBondContact O-N 3.09Å; E273-V276 PolarHBondContact O-N 3.5Å; R274-V276 VanDerWaalsContact C-N 3.34Å; V276-L279 PolarHBondContact O-N 2.91Å; V276-T280 WeakPolarHBondContact O-CB 3.31Å; V276-T280 PolarHBondContact O-N 3.39Å; V276-T280 PolarHBondContact O-OG1 3.31Å
277Q98.5Very high96.8Very high142 Ų142112.8 Ų112.866%0.66453%0.526SS*.Hα-helixtrans-62.7-46.9178-168.1172.12000111.8E273 R274 K275 T280 E281E273-Q277 PolarHBondContact O-N 2.81Å; R274-Q277 PolarHBondContact O-N 2.81Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; Q277-T280 WeakPolarHBondContact O-CB 3.47Å; Q277-T280 PolarHBondContact O-N 2.98Å; Q277-T280 VanDerWaalsContact O-N 3.16Å; Q277-E281 PolarHBondContact O-N 3.41Å
278E98.3Very high97.2Very high118 Ų118110.1 Ų110.155%0.55152%0.522SS*.Hα-helixtrans-60.5-46.7176.7-177.6178.9-174.600111.8R274 K275 T280 E281 Q282R274-E278 WeakPolarHBondContact O-CB 3.25Å; R274-E278 PolarHBondContact O-N 3.11Å; K275-E278 PolarHBondContact O-N 2.92Å; E278-T280 PolarHBondContact O-N 3.42Å; E278-E281 PolarHBondContact O-N 2.9Å; E278-Q282 VanDerWaalsContact O-CG 3.32Å; E278-Q282 WeakPolarHBondContact O-CG 3.47Å; E278-Q282 PolarHBondContact O-N 3.46Å
279L98.8Very high97.6Very high90 Ų90106.3 Ų106.347%0.47151%0.511SS..Hα-helixtrans-64.2-30.9176.4-74.2173.9000112.4K275 V276 N283K275-L279 HydrophobicContact CG-CD1 4.07Å; K275-L279 HydrophobicContact CG-CG 4.37Å; K275-L279 VanDerWaalsContact O-CB 3.31Å; K275-L279 WeakPolarHBondContact O-CB 3.48Å; K275-L279 VanDerWaalsContact O-CG 3.24Å; K275-L279 WeakPolarHBondContact O-CG 3.32Å; K275-L279 PolarHBondContact O-N 3.4Å; V276-L279 PolarHBondContact O-N 2.91Å; L279-N283 VanDerWaalsContact O-CB 3.31Å; L279-N283 WeakPolarHBondContact O-CB 3.27Å; L279-N283 PolarHBondContact O-N 2.81Å; L279-N283 PolarHBondContact O-ND2 2.94Å
280T98.6Very high98Very high89 Ų89108 Ų10855%0.54652%0.522SS..Hα-helixtrans-68-45.7176.5-59.30000110.4V276 Q277 E278 N283 E284V276-T280 WeakPolarHBondContact O-CB 3.31Å; V276-T280 PolarHBondContact O-N 3.39Å; V276-T280 PolarHBondContact O-OG1 3.31Å; Q277-T280 WeakPolarHBondContact O-CB 3.47Å; Q277-T280 PolarHBondContact O-N 2.98Å; Q277-T280 VanDerWaalsContact O-N 3.16Å; E278-T280 PolarHBondContact O-N 3.42Å; T280-N283 PolarHBondContact O-N 2.66Å; T280-E284 PolarHBondContact O-N 2.95Å
281E98.6Very high98.2Very high87 Ų87109.2 Ų109.241%0.40753%0.527SS..Hα-helixtrans-64.4-42.7176.4-169.6-171160.500111.9Q277 E278 N283 E284 R285Q277-E281 PolarHBondContact O-N 3.41Å; E278-E281 PolarHBondContact O-N 2.9Å; E281-N283 VanDerWaalsContact C-N 3.35Å; E281-N283 PolarHBondContact O-N 2.81Å; E281-E284 WeakPolarHBondContact O-CB 3.4Å; E281-E284 PolarHBondContact O-N 3.37Å; E281-R285 PolarHBondContact O-N 2.91Å; E281-R285 IonicContact OE1-CZ 2.64Å; E281-R285 IonicContact OE1-NH1 3.05Å; E281-R285 PolarHBondContact OE1-NH1 3Å; E281-R285 IonicContact OE1-NH2 3.67Å; E281-R285 PolarHBondContact OE1-NH2 3.02Å
282Q98.7Very high98.4Very high84 Ų84109.7 Ų109.739%0.39353%0.525SS..Hα-helixtrans-61.9-42.7175-71.1-66.6-3300111.6E278 E284 R285 L286E278-Q282 VanDerWaalsContact O-CG 3.32Å; E278-Q282 WeakPolarHBondContact O-CG 3.47Å; E278-Q282 PolarHBondContact O-N 3.46Å; Q282-E284 VanDerWaalsContact C-N 3.33Å; Q282-E284 PolarHBondContact O-N 3.43Å; Q282-R285 PolarHBondContact O-N 3.02Å; Q282-L286 WeakPolarHBondContact O-CB 3.49Å; Q282-L286 WeakPolarHBondContact O-CG 3.34Å; Q282-L286 PolarHBondContact O-N 3.28Å
283N98.8Very high98.5Very high85 Ų85108.9 Ų108.946%0.45552%0.52SS..Hα-helixtrans-62.9-39.4175.4-90.2-63.1000112.3L279 T280 E281 L286 K287L279-N283 VanDerWaalsContact O-CB 3.31Å; L279-N283 WeakPolarHBondContact O-CB 3.27Å; L279-N283 PolarHBondContact O-N 2.81Å; L279-N283 PolarHBondContact O-ND2 2.94Å; T280-N283 PolarHBondContact O-N 2.66Å; E281-N283 VanDerWaalsContact C-N 3.35Å; E281-N283 PolarHBondContact O-N 2.81Å; N283-L286 PolarHBondContact O-N 2.93Å; N283-K287 WeakPolarHBondContact O-CB 3.34Å; N283-K287 VanDerWaalsContact O-CG 3.25Å; N283-K287 WeakPolarHBondContact O-CG 3.31Å; N283-K287 PolarHBondContact O-N 3.38Å
284E98.7Very high98.6Very high130 Ų130104 Ų10461%0.60751%0.505SS*.Hα-helixtrans-61.6-48.4175.3-168.8-137.3140.900111.1T280 E281 Q282 L286 K287 A288T280-E284 PolarHBondContact O-N 2.95Å; E281-E284 WeakPolarHBondContact O-CB 3.4Å; E281-E284 PolarHBondContact O-N 3.37Å; Q282-E284 VanDerWaalsContact C-N 3.33Å; Q282-E284 PolarHBondContact O-N 3.43Å; E284-L286 PolarHBondContact O-N 3.46Å; E284-K287 WeakPolarHBondContact O-CB 3.39Å; E284-K287 PolarHBondContact O-N 2.86Å; E284-A288 PolarHBondContact O-N 3.28Å; E284-A288 VanDerWaalsContact O-N 3.09Å
285R98.8Very high98.7Very high131 Ų131100.8 Ų100.849%0.49450%0.497SS..Hα-helixtrans-57.2-46.8175.2-76.7-167.9-178.4101.73.7112.5E281 Q282 K287 A288 E289E281-R285 PolarHBondContact O-N 2.91Å; E281-R285 IonicContact OE1-CZ 2.64Å; E281-R285 IonicContact OE1-NH1 3.05Å; E281-R285 PolarHBondContact OE1-NH1 3Å; E281-R285 IonicContact OE1-NH2 3.67Å; E281-R285 PolarHBondContact OE1-NH2 3.02Å; Q282-R285 PolarHBondContact O-N 3.02Å; R285-K287 VanDerWaalsContact C-N 3.32Å; R285-K287 PolarHBondContact O-N 3.44Å; R285-A288 PolarHBondContact O-N 2.96Å; R285-E289 PolarHBondContact O-N 3.47Å
286L98.9Very high98.7Very high99 Ų9998.6 Ų98.652%0.51849%0.489SS..Hα-helixtrans-63.8-37.9179.6-73.4172.8000112Q282 N283 E284 E289 I290Q282-L286 WeakPolarHBondContact O-CB 3.49Å; Q282-L286 WeakPolarHBondContact O-CG 3.34Å; Q282-L286 PolarHBondContact O-N 3.28Å; N283-L286 PolarHBondContact O-N 2.93Å; E284-L286 PolarHBondContact O-N 3.46Å; L286-E289 PolarHBondContact O-N 3.31Å; L286-I290 VanDerWaalsContact O-CG1 3.27Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 2.89Å
287K98.8Very high98.7Very high145 Ų14599.8 Ų99.863%0.6350%0.496SS*.Hα-helixtrans-60.6-46.7174.6-76.8171.3-178.9-179.80111.5N283 E284 R285 E289 I290 E291N283-K287 WeakPolarHBondContact O-CB 3.34Å; N283-K287 VanDerWaalsContact O-CG 3.25Å; N283-K287 WeakPolarHBondContact O-CG 3.31Å; N283-K287 PolarHBondContact O-N 3.38Å; E284-K287 WeakPolarHBondContact O-CB 3.39Å; E284-K287 PolarHBondContact O-N 2.86Å; R285-K287 VanDerWaalsContact C-N 3.32Å; R285-K287 PolarHBondContact O-N 3.44Å; K287-E289 VanDerWaalsContact C-N 3.3Å; K287-E289 PolarHBondContact O-N 3.17Å; K287-I290 PolarHBondContact O-N 2.92Å; K287-E291 PolarHBondContact O-N 3.2Å
288A98.8Very high98.7Very high52 Ų5298.1 Ų98.143%0.4349%0.489SS..Hα-helixtrans-61.4-39.9177.200000111.9E284 R285 E291 R292E284-A288 PolarHBondContact O-N 3.28Å; E284-A288 VanDerWaalsContact O-N 3.09Å; R285-A288 PolarHBondContact O-N 2.96Å; A288-E291 PolarHBondContact O-N 3.28Å; A288-R292 WeakPolarHBondContact O-CB 3.35Å; A288-R292 PolarHBondContact O-N 2.92Å
289E98.7Very high98.7Very high80 Ų8097.8 Ų97.837%0.37448%0.482SS..Hα-helixtrans-68.5-40178.3-176.559-165.700112.5R285 L286 K287 E291 R292 L293R285-E289 PolarHBondContact O-N 3.47Å; L286-E289 PolarHBondContact O-N 3.31Å; K287-E289 VanDerWaalsContact C-N 3.3Å; K287-E289 PolarHBondContact O-N 3.17Å; E289-E291 VanDerWaalsContact C-N 3.34Å; E289-E291 PolarHBondContact O-N 3.47Å; E289-R292 PolarHBondContact O-N 2.68Å; E289-R292 IonicContact OE1-CZ 2.89Å; E289-R292 IonicContact OE1-NE 2.91Å; E289-R292 PolarHBondContact OE1-NE 2.8Å; E289-R292 IonicContact OE1-NH2 2.94Å; E289-R292 PolarHBondContact OE1-NH2 3.19Å; E289-R292 IonicContact OE2-CZ 2.81Å; E289-R292 IonicContact OE2-NE 3.46Å; E289-R292 PolarHBondContact OE2-NE 3.47Å; E289-R292 IonicContact OE2-NH2 2.66Å; E289-L293 HydrophobicContact CG-CD1 4.15Å; E289-L293 WeakPolarHBondContact O-CB 3.43Å; E289-L293 WeakPolarHBondContact O-CG 3.48Å; E289-L293 PolarHBondContact O-N 3.42Å
290I98.8Very high98.7Very high119 Ų11996.9 Ų96.961%0.6148%0.481SS*.Hα-helixtrans-61.7-43.9174.5-71165.5000110.6L286 K287 L293 G294L286-I290 VanDerWaalsContact O-CG1 3.27Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 2.89Å; K287-I290 PolarHBondContact O-N 2.92Å; I290-L293 PolarHBondContact O-N 3.38Å; I290-G294 PolarHBondContact O-N 3.15Å
291E98.8Very high98.7Very high129 Ų129100.7 Ų100.760%0.60349%0.485SS*.Hα-helixtrans-61.1-49.7177.4-176.6174.1-166.700111K287 A288 E289 L293 G294 E295K287-E291 PolarHBondContact O-N 3.2Å; A288-E291 PolarHBondContact O-N 3.28Å; E289-E291 VanDerWaalsContact C-N 3.34Å; E289-E291 PolarHBondContact O-N 3.47Å; E291-L293 PolarHBondContact O-N 3.43Å; E291-G294 WeakPolarHBondContact O-CA 3.38Å; E291-G294 PolarHBondContact O-N 3.34Å; E291-G294 VanDerWaalsContact O-N 3.11Å; E291-E295 PolarHBondContact O-N 3.22Å
292R98.8Very high98.7Very high120 Ų120103 Ų10345%0.45349%0.49SS..Hα-helixtrans-57-46.1177.5-169.4-162.169.371.9-2.2112.4A288 E289 E295 E296A288-R292 WeakPolarHBondContact O-CB 3.35Å; A288-R292 PolarHBondContact O-N 2.92Å; E289-R292 PolarHBondContact O-N 2.68Å; E289-R292 IonicContact OE1-CZ 2.89Å; E289-R292 IonicContact OE1-NE 2.91Å; E289-R292 PolarHBondContact OE1-NE 2.8Å; E289-R292 IonicContact OE1-NH2 2.94Å; E289-R292 PolarHBondContact OE1-NH2 3.19Å; E289-R292 IonicContact OE2-CZ 2.81Å; E289-R292 IonicContact OE2-NE 3.46Å; E289-R292 PolarHBondContact OE2-NE 3.47Å; E289-R292 IonicContact OE2-NH2 2.66Å; R292-E295 PolarHBondContact O-N 3.03Å; R292-E296 PolarHBondContact O-N 3.38Å
293L98.9Very high98.7Very high82 Ų82101.1 Ų101.143%0.42949%0.488SS..Hα-helixtrans-67.1-38.4176.2-73.3173.4000111.8E289 I290 E291 E295 E296 V297E289-L293 HydrophobicContact CG-CD1 4.15Å; E289-L293 WeakPolarHBondContact O-CB 3.43Å; E289-L293 WeakPolarHBondContact O-CG 3.48Å; E289-L293 PolarHBondContact O-N 3.42Å; I290-L293 PolarHBondContact O-N 3.38Å; E291-L293 PolarHBondContact O-N 3.43Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 3.28Å; L293-E296 WeakPolarHBondContact O-CB 3.34Å; L293-E296 PolarHBondContact O-N 3.41Å; L293-E296 VanDerWaalsContact O-N 3.17Å; L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.36Å
294G98.8Very high98.7Very high32 Ų32100.8 Ų100.833%0.3349%0.486SS..Hα-helixtrans-58.6-44.817500000111.9I290 E291 E296 V297 Q298I290-G294 PolarHBondContact O-N 3.15Å; E291-G294 WeakPolarHBondContact O-CA 3.38Å; E291-G294 PolarHBondContact O-N 3.34Å; E291-G294 VanDerWaalsContact O-N 3.11Å; G294-E296 VanDerWaalsContact C-N 3.34Å; G294-E296 PolarHBondContact O-N 2.9Å; G294-V297 PolarHBondContact O-N 2.92Å; G294-Q298 WeakPolarHBondContact O-CG 3.34Å; G294-Q298 PolarHBondContact O-N 3.19Å
295E98.6Very high98.7Very high97 Ų9798.5 Ų98.545%0.45348%0.478SS..Hα-helixtrans-61.8-40.2174.1-70.3-169.517100112.7E291 R292 L293 Q298 R299E291-E295 PolarHBondContact O-N 3.22Å; R292-E295 PolarHBondContact O-N 3.03Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 3.28Å; E295-Q298 PolarHBondContact O-N 2.97Å; E295-R299 WeakPolarHBondContact O-CB 3.31Å; E295-R299 PolarHBondContact O-N 3.29Å
296E98.6Very high98.6Very high80 Ų8098.1 Ų98.137%0.37448%0.481SS..Hα-helixtrans-64.7-44.1178.8-166.162.5-101.500112.2R292 L293 G294 Q298 R299 T300R292-E296 PolarHBondContact O-N 3.38Å; L293-E296 WeakPolarHBondContact O-CB 3.34Å; L293-E296 PolarHBondContact O-N 3.41Å; L293-E296 VanDerWaalsContact O-N 3.17Å; G294-E296 VanDerWaalsContact C-N 3.34Å; G294-E296 PolarHBondContact O-N 2.9Å; E296-Q298 VanDerWaalsContact C-N 3.32Å; E296-Q298 PolarHBondContact O-N 2.91Å; E296-R299 PolarHBondContact O-N 3.07Å; E296-R299 IonicContact OE1-CZ 3.97Å; E296-R299 IonicContact OE1-NH1 2.68Å; E296-R299 PolarHBondContact OE1-NH1 2.89Å; E296-R299 IonicContact OE2-NH1 3.42Å; E296-R299 PolarHBondContact OE2-NH1 2.99Å; E296-T300 WeakPolarHBondContact O-CB 3.48Å; E296-T300 PolarHBondContact O-N 3.11Å; E296-T300 PolarHBondContact O-OG1 2.91Å
297V98.8Very high98.5Very high104 Ų104100 Ų10063%0.6348%0.481SS*.Hα-helixtrans-61-44.8174.4171.10000110.2L293 G294 T300 R301L293-V297 WeakPolarHBondContact O-CG2 3.45Å; L293-V297 PolarHBondContact O-N 3.36Å; G294-V297 PolarHBondContact O-N 2.92Å; V297-T300 PolarHBondContact O-N 3.41Å; V297-R301 WeakPolarHBondContact O-CB 3.34Å; V297-R301 PolarHBondContact O-N 3.37Å
298Q98.7Very high98.4Very high107 Ų10798.1 Ų98.150%0.548%0.478SS..Hα-helixtrans-64.5-40.3177.4-72.8-172.713.500112.6G294 E295 E296 R301 R302G294-Q298 WeakPolarHBondContact O-CG 3.34Å; G294-Q298 PolarHBondContact O-N 3.19Å; E295-Q298 PolarHBondContact O-N 2.97Å; E296-Q298 VanDerWaalsContact C-N 3.32Å; E296-Q298 PolarHBondContact O-N 2.91Å; Q298-R301 PolarHBondContact O-N 2.88Å; Q298-R302 WeakPolarHBondContact O-CG 3.47Å; Q298-R302 PolarHBondContact O-N 3.27Å
299R98.7Very high98.2Very high112 Ų11299.2 Ų99.242%0.42348%0.479SS..Hα-helixtrans-60-48.2175.7-175.3-176.5-64.3102.44.2110.5E295 E296 R302 A303E295-R299 WeakPolarHBondContact O-CB 3.31Å; E295-R299 PolarHBondContact O-N 3.29Å; E296-R299 PolarHBondContact O-N 3.07Å; E296-R299 IonicContact OE1-CZ 3.97Å; E296-R299 IonicContact OE1-NH1 2.68Å; E296-R299 PolarHBondContact OE1-NH1 2.89Å; E296-R299 IonicContact OE2-NH1 3.42Å; E296-R299 PolarHBondContact OE2-NH1 2.99Å; R299-R302 PolarHBondContact O-N 3.37Å; R299-A303 PolarHBondContact O-N 3.46Å
300T98.6Very high97.7Very high71 Ų7199.8 Ų99.844%0.43648%0.484SS..Hα-helixtrans-60.8-47.9177-57.80000110.9E296 V297 R302 A303 L304E296-T300 WeakPolarHBondContact O-CB 3.48Å; E296-T300 PolarHBondContact O-N 3.11Å; E296-T300 PolarHBondContact O-OG1 2.91Å; V297-T300 PolarHBondContact O-N 3.41Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.3Å; T300-A303 PolarHBondContact O-N 2.94Å; T300-L304 HydrophobicContact CG2-CD1 4.4Å; T300-L304 HydrophobicContact CG2-CG 4.41Å; T300-L304 WeakPolarHBondContact O-CG 3.47Å; T300-L304 PolarHBondContact O-N 2.81Å
301R98.8Very high97.1Very high169 Ų16999 Ų9964%0.63849%0.486SS*.Hα-helixtrans-55.5-46.8176.4-179-178.7174.5-133.3-0.9111.7V297 Q298 L304 I305V297-R301 WeakPolarHBondContact O-CB 3.34Å; V297-R301 PolarHBondContact O-N 3.37Å; Q298-R301 PolarHBondContact O-N 2.88Å; R301-L304 PolarHBondContact O-N 2.87Å; R301-I305 HydrophobicContact CG-CD1 3.99Å; R301-I305 VanDerWaalsContact O-CG1 3.31Å; R301-I305 WeakPolarHBondContact O-CG1 3.5Å; R301-I305 PolarHBondContact O-N 3.48Å
302R98.5Very high95.9Very high136 Ų136102.7 Ų102.751%0.51349%0.494SS..Hα-helixtrans-60.3-46.8177.2-74.9-173-66.7-97.10.8111.6Q298 R299 T300 L304 I305 E306Q298-R302 WeakPolarHBondContact O-CG 3.47Å; Q298-R302 PolarHBondContact O-N 3.27Å; R299-R302 PolarHBondContact O-N 3.37Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.3Å; R302-L304 VanDerWaalsContact C-N 3.33Å; R302-L304 PolarHBondContact O-N 3.13Å; R302-I305 PolarHBondContact O-N 3.2Å; R302-E306 WeakPolarHBondContact O-CB 3.38Å; R302-E306 PolarHBondContact O-N 3.46Å
303A98.3Very high93.8Very high43 Ų43108.3 Ų108.336%0.35552%0.522SS..Hα-helixtrans-62.8-37.6178.900000112.8R299 T300 R307R299-A303 PolarHBondContact O-N 3.46Å; T300-A303 PolarHBondContact O-N 2.94Å; A303-R307 WeakPolarHBondContact O-CB 3.27Å; A303-R307 PolarHBondContact O-N 3.14Å; A303-R307 VanDerWaalsContact O-N 3.11Å
304L98.4Very high93.5Very high79 Ų79109.6 Ų109.641%0.41453%0.526SS..Hα-helixtrans-64.2-46.6174-67.5-178.6000111.5T300 R301 R302 R307 L308T300-L304 HydrophobicContact CG2-CD1 4.4Å; T300-L304 HydrophobicContact CG2-CG 4.41Å; T300-L304 WeakPolarHBondContact O-CG 3.47Å; T300-L304 PolarHBondContact O-N 2.81Å; R301-L304 PolarHBondContact O-N 2.87Å; R302-L304 VanDerWaalsContact C-N 3.33Å; R302-L304 PolarHBondContact O-N 3.13Å; L304-R307 PolarHBondContact O-N 3.49Å; L304-L308 WeakPolarHBondContact O-CG 2.99Å; L304-L308 PolarHBondContact O-N 2.86Å
305I97.9Very high93.3Very high82 Ų82113.7 Ų113.742%0.42154%0.537SS..Hα-helixtrans-60.3-49.5178.1-68.7166.7000110.3R301 R302 R307 L308 V309R301-I305 HydrophobicContact CG-CD1 3.99Å; R301-I305 VanDerWaalsContact O-CG1 3.31Å; R301-I305 WeakPolarHBondContact O-CG1 3.5Å; R301-I305 PolarHBondContact O-N 3.48Å; R302-I305 PolarHBondContact O-N 3.2Å; I305-R307 VanDerWaalsContact C-N 3.29Å; I305-R307 PolarHBondContact O-N 3.18Å; I305-L308 PolarHBondContact O-N 3.46Å; I305-L308 VanDerWaalsContact O-N 3.15Å; I305-V309 HydrophobicContact CG2-CG2 4.2Å; I305-V309 VanDerWaalsContact O-CG2 3.31Å; I305-V309 WeakPolarHBondContact O-CG2 3.32Å; I305-V309 PolarHBondContact O-N 2.86Å
306E97Very high93Very high123 Ų123114.6 Ų114.658%0.57554%0.541SS*.Hα-helixtrans-57.1-44.1179.9-177.2177-171.100111.6R302 L308 V309 N310R302-E306 WeakPolarHBondContact O-CB 3.38Å; R302-E306 PolarHBondContact O-N 3.46Å; E306-L308 PolarHBondContact O-N 3.16Å; E306-V309 PolarHBondContact O-N 2.94Å; E306-N310 WeakPolarHBondContact O-CB 3.32Å; E306-N310 PolarHBondContact O-N 3.46Å
307R96.8Very high92.6Very high138 Ų138116.6 Ų116.652%0.52155%0.551SS.*Hα-helixtrans-61.9-44177.1-161.4-175.5-43.5105.87.3112.3A303 L304 I305 V309 N310 T311A303-R307 WeakPolarHBondContact O-CB 3.27Å; A303-R307 PolarHBondContact O-N 3.14Å; A303-R307 VanDerWaalsContact O-N 3.11Å; L304-R307 PolarHBondContact O-N 3.49Å; I305-R307 VanDerWaalsContact C-N 3.29Å; I305-R307 PolarHBondContact O-N 3.18Å; R307-V309 VanDerWaalsContact C-N 3.3Å; R307-V309 PolarHBondContact O-N 3.49Å; R307-N310 PolarHBondContact O-N 3.42Å; R307-T311 VanDerWaalsContact O-CG2 3.32Å; R307-T311 WeakPolarHBondContact O-CG2 3.38Å; R307-T311 PolarHBondContact O-N 2.85Å; R307-T311 PolarHBondContact O-OG1 3.01Å
308L96.9Very high92.3Very high106 Ų106117.4 Ų117.456%0.55555%0.546SS*.Hα-helixtrans-69.6-26179.1-73.3170.7000113.7L304 I305 E306 T311L304-L308 WeakPolarHBondContact O-CG 2.99Å; L304-L308 PolarHBondContact O-N 2.86Å; I305-L308 PolarHBondContact O-N 3.46Å; I305-L308 VanDerWaalsContact O-N 3.15Å; E306-L308 PolarHBondContact O-N 3.16Å; L308-T311 PolarHBondContact O-OG1 3.45Å
309V95.1Very high91.8Very high75 Ų75118.1 Ų118.146%0.45555%0.549SS..Hα-helixtrans-80.4-42.1175.9170.80000110.1I305 E306 R307 T311 R312I305-V309 HydrophobicContact CG2-CG2 4.2Å; I305-V309 VanDerWaalsContact O-CG2 3.31Å; I305-V309 WeakPolarHBondContact O-CG2 3.32Å; I305-V309 PolarHBondContact O-N 2.86Å; E306-V309 PolarHBondContact O-N 2.94Å; R307-V309 VanDerWaalsContact C-N 3.3Å; R307-V309 PolarHBondContact O-N 3.49Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.45Å; V309-R312 PolarHBondContact O-N 3.19Å
310N89Confident91.3Very high91 Ų91118.6 Ų118.649%0.48756%0.558SS.*Hα-helixtrans-69.9-26.9-178.4-70.8-10.3000113.4E306 R307 R312E306-N310 WeakPolarHBondContact O-CB 3.32Å; E306-N310 PolarHBondContact O-N 3.46Å; R307-N310 PolarHBondContact O-N 3.42Å; N310-R312 VanDerWaalsContact C-N 3.29Å; N310-R312 PolarHBondContact O-N 3.48Å
311T84.3Confident90.8Very high104 Ų104122.2 Ų122.264%0.63857%0.568SS**THydrogen-bonded Turntrans-79.6-7.1176.354.20000114.4R307 L308 V309R307-T311 VanDerWaalsContact O-CG2 3.32Å; R307-T311 WeakPolarHBondContact O-CG2 3.38Å; R307-T311 PolarHBondContact O-N 2.85Å; R307-T311 PolarHBondContact O-OG1 3.01Å; L308-T311 PolarHBondContact O-OG1 3.45Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.45Å
312R73.9Confident90.1Very high205 Ų205118.3 Ų118.377%0.77456%0.562SS**THydrogen-bonded Turntrans-96.52.1179-115.4-175.2-65.3-154.20.8113.9V309 N310V309-R312 PolarHBondContact O-N 3.19Å; N310-R312 VanDerWaalsContact C-N 3.29Å; N310-R312 PolarHBondContact O-N 3.48Å
313K55.4Low89.3Confident238 Ų238116.7 Ų116.7100%1.03557%0.566SS**  trans-1020172-81.1177.6164.4175.70109.7

Retrieved 313 of 313 residues in 104 ms (Link to these results)