A0A087X263_HUMAN Loading...

MAGI family member, X-linked

AlphaFold DB , UniProt , Accession A0A087X263, Species HUMAN (Homo sapiens, Human), Gene MAGIX, Length 253 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
1M45.8Very low48.3Very low248 Ų248137.8 Ų137.8100%1.22281%0.814SS**  0135.50-82.8169149.500107.8
2E50.1Low48.2Very low134 Ų134145.5 Ų145.563%0.62682%0.819SS**  trans-72170.6162.8-52.3-171.297.500110.4R4E2-R4 HydrophobicContact CB-CG 4.28Å; E2-R4 IonicContact OE2-CZ 3.93Å; E2-R4 IonicContact OE2-NE 3.07Å; E2-R4 PolarHBondContact OE2-NE 3.36Å; E2-R4 IonicContact OE2-NH2 3.88Å
3P55.5Low47.6Very low121 Ų121139.3 Ų139.379%0.78681%0.807SS**  -118.9149.973.92.320.9000112.3
4R46.3Very low47.9Very low197 Ų197138.6 Ų138.674%0.74381%0.814SS**  60.6133.357.7-62.5-168.6-176.1-165.6-0113.2E2E2-R4 HydrophobicContact CB-CG 4.28Å; E2-R4 IonicContact OE2-CZ 3.93Å; E2-R4 IonicContact OE2-NE 3.07Å; E2-R4 PolarHBondContact OE2-NE 3.36Å; E2-R4 IonicContact OE2-NH2 3.88Å
5T49.8Very low47.7Very low138 Ų138146.1 Ų146.185%0.84782%0.823SS**  cis-153159.17-38.70000108.1
6G45.3Very low47.2Very low80 Ų80141.1 Ų141.183%0.82582%0.815SS**  trans-173.960.7175.400000114.7
7D43.2Very low46.7Very low155 Ų155137.4 Ų137.483%0.82981%0.814SS**  trans-71.8135.2175-175.2-87.3000112
8A47.3Very low46.7Very low95 Ų95143.9 Ų143.979%0.78582%0.822SS**  trans-169.7128.7150.500000110.6
9A47.9Very low46.2Very low98 Ų98139.1 Ų139.181%0.8181%0.807SS**  trans-96.3174.1-177.300000114.6
10D48.4Very low46.1Very low119 Ų119138.6 Ų138.664%0.63681%0.809SS**  trans92.9111.4162.2-150.6-96.6000119.1R12D10-R12 VanDerWaalsContact C-N 3.29Å; D10-R12 PolarHBondContact O-N 2.66Å; D10-R12 WeakPolarHBondContact OD1-CB 3.21Å
11P51.7Low46.1Very low131 Ų131137.2 Ų137.285%0.85181%0.806SS**  trans-82.470174.535.4-34.3000111.1G13P11-G13 PolarHBondContact O-N 3.17Å
12R47.6Very low46Very low230 Ų230131.2 Ų131.287%0.86879%0.786SS**  trans-80.5106.9-172.6-145.9174.1-167.7-106.43113.6D10D10-R12 VanDerWaalsContact C-N 3.29Å; D10-R12 PolarHBondContact O-N 2.66Å; D10-R12 WeakPolarHBondContact OD1-CB 3.21Å
13G40Very low45.8Very low65 Ų65133.2 Ų133.267%0.6780%0.8SS**  trans101.7103.1144.900000116.9P11 R15P11-G13 PolarHBondContact O-N 3.17Å; G13-R15 PolarHBondContact O-N 3.05Å
14S51.3Low45.3Very low129 Ų129132.2 Ų132.290%0.90280%0.802SS**  trans-39.9108.5159-56.80000113.3
15R45.3Very low45.8Very low251 Ų251125.5 Ų125.595%0.94779%0.794SS**  trans-100.377.8155.2-150.2173.4-163.6-176.14.7108.6G13 G17G13-R15 PolarHBondContact O-N 3.05Å; R15-G17 PolarHBondContact O-N 3.32Å
16G39.1Very low45.8Very low67 Ų67121.2 Ų121.269%0.69177%0.769SS**  trans-51.3133.4-179.300000111.2R18G16-R18 PolarHBondContact O-N 2.74Å
17G40.3Very low46.7Very low77 Ų77121 Ų12179%0.79476%0.755SS**  trans-58.8132179.400000110.8R15 G19R15-G17 PolarHBondContact O-N 3.32Å; G17-G19 PolarHBondContact O-N 2.82Å
18R45.8Very low46.8Very low255 Ų255117 Ų11796%0.96274%0.743SS**  trans-69.475.1158.8-83.6-171.1172-150.70.2108.9G16G16-R18 PolarHBondContact O-N 2.74Å
19G37.8Very low46.8Very low52 Ų52122.8 Ų122.854%0.53674%0.744SS.*  trans-64.6138147.800000107.8G17 S21G17-G19 PolarHBondContact O-N 2.82Å; G19-S21 PolarHBondContact O-N 3.34Å
20P43Very low47.1Very low130 Ų130123.6 Ų123.684%0.84473%0.731SS**  trans-64.2108.3165.926.9-31.2000107.5
21S45.9Very low47Very low109 Ų109122.1 Ų122.176%0.76272%0.723SS**  trans-53.7142.9175.7-61.60000109.9G19 L23G19-S21 PolarHBondContact O-N 3.34Å; S21-L23 PolarHBondContact O-N 3.22Å
22P45.5Very low46.9Very low122 Ų122121.3 Ų121.379%0.79271%0.711SS**  trans-56.5141.1-171.6-24.533.5000111.8A24P22-A24 PolarHBondContact O-N 3.45Å
23L44.2Very low46.9Very low177 Ų177113.6 Ų113.693%0.92770%0.696SS**  trans-45.1109.4164.6-75.6153.3000108.4S21 G25S21-L23 PolarHBondContact O-N 3.22Å; L23-G25 PolarHBondContact O-N 3.25Å
24A45.5Very low47.2Very low99 Ų99118.6 Ų118.682%0.81870%0.695SS**  trans-60.6106.2178.400000107.5P22P22-A24 PolarHBondContact O-N 3.45Å
25G56.1Low46.9Very low57 Ų57118.6 Ų118.659%0.58868%0.684SS**PPolyproline II helixtrans-54.4143176.300000109L23 S27L23-G25 PolarHBondContact O-N 3.25Å; G25-S27 PolarHBondContact O-N 3.26Å; G25-S27 VanDerWaalsContact O-N 3.1Å
26P51.8Low47.2Very low48 Ų48113.6 Ų113.631%0.31268%0.676SS.*PPolyproline II helixtrans-51125.4-179.220.7-32.6000109.3Q30 L31P26-Q30 HydrophobicContact CB-CB 4.07Å; P26-Q30 HydrophobicContact CB-CG 4.2Å; P26-L31 HydrophobicContact CB-CD2 4.47Å; P26-L31 HydrophobicContact CB-CG 4.24Å; P26-L31 HydrophobicContact CG-CD2 3.77Å; P26-L31 HydrophobicContact CG-CG 3.93Å; P26-L31 WeakPolarHBondContact O-CD1 3.45Å
27S62.5Low47.6Very low75 Ų75114.1 Ų114.152%0.52467%0.674SS.*PPolyproline II helixtrans-49.4151.8180172.80000110.4G25 R29 Q30 L31G25-S27 PolarHBondContact O-N 3.26Å; G25-S27 VanDerWaalsContact O-N 3.1Å; S27-R29 PolarHBondContact O-N 2.82Å; S27-Q30 CarbonylContact O-C 3.52Å; S27-Q30 WeakPolarHBondContact O-CA 3.18Å; S27-Q30 WeakPolarHBondContact O-CB 2.83Å; S27-Q30 PolarHBondContact O-N 3.27Å; S27-L31 PolarHBondContact O-N 2.95Å
28A45.3Very low48.1Very low70 Ų70121 Ų12158%0.57968%0.676SS**Hα-helixtrans-49.4-33179.300000112.9L31 L32A28-L31 PolarHBondContact O-N 3.02Å; A28-L32 WeakPolarHBondContact O-CD1 3.4Å; A28-L32 PolarHBondContact O-N 2.9Å
29R48.4Very low48.4Very low217 Ų217113.3 Ų113.382%0.81966%0.659SS**Hα-helixtrans-67.4-35.5173-69.5-177.3169.5179.8-4.1114.1S27 A33S27-R29 PolarHBondContact O-N 2.82Å; R29-A33 WeakPolarHBondContact O-CB 3.27Å; R29-A33 PolarHBondContact O-N 3.33Å
30Q53.6Low48.7Very low115 Ų115117.8 Ų117.854%0.53767%0.67SS.*Hα-helixtrans-83.1-20.5177.7-160.5169.528.100112.7P26 S27 R34P26-Q30 HydrophobicContact CB-CB 4.07Å; P26-Q30 HydrophobicContact CB-CG 4.2Å; S27-Q30 CarbonylContact O-C 3.52Å; S27-Q30 WeakPolarHBondContact O-CA 3.18Å; S27-Q30 WeakPolarHBondContact O-CB 2.83Å; S27-Q30 PolarHBondContact O-N 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.33Å; Q30-R34 PolarHBondContact O-N 2.76Å
31L47.5Very low48.9Very low88 Ų88113.5 Ų113.546%0.46165%0.646SS.*Hα-helixtrans-74-44.8163.1-75.6169.2000111.3P26 S27 A28 A33 R34 L35P26-L31 HydrophobicContact CB-CD2 4.47Å; P26-L31 HydrophobicContact CB-CG 4.24Å; P26-L31 HydrophobicContact CG-CD2 3.77Å; P26-L31 HydrophobicContact CG-CG 3.93Å; P26-L31 WeakPolarHBondContact O-CD1 3.45Å; S27-L31 PolarHBondContact O-N 2.95Å; A28-L31 PolarHBondContact O-N 3.02Å; L31-A33 PolarHBondContact O-N 3.47Å; L31-R34 PolarHBondContact O-N 3.07Å; L31-L35 WeakPolarHBondContact O-CG 3.1Å; L31-L35 PolarHBondContact O-N 2.93Å; L31-L35 VanDerWaalsContact O-N 3.16Å
32L48Very low48.8Very low114 Ų114112 Ų11260%0.59764%0.64SS**Hα-helixtrans-54.4-51.3171.2-104.868.5000111.3A28 R34 L35 D36A28-L32 WeakPolarHBondContact O-CD1 3.4Å; A28-L32 PolarHBondContact O-N 2.9Å; L32-R34 PolarHBondContact O-N 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.85Å; L32-D36 PolarHBondContact O-N 3.22Å
33A47.5Very low48.6Very low68 Ų68115.5 Ų115.556%0.56264%0.637SS**Hα-helixtrans-62.7-11.4177.800000114.8R29 L31R29-A33 WeakPolarHBondContact O-CB 3.27Å; R29-A33 PolarHBondContact O-N 3.33Å; L31-A33 PolarHBondContact O-N 3.47Å
34R47.4Very low48.9Very low171 Ų171109 Ų10965%0.64561%0.608SS**Hα-helixtrans-95.8-17171.1-78.2178.5169.9-166.5-1.6113.3Q30 L31 L32Q30-R34 WeakPolarHBondContact O-CG 3.33Å; Q30-R34 PolarHBondContact O-N 2.76Å; L31-R34 PolarHBondContact O-N 3.07Å; L32-R34 PolarHBondContact O-N 3.48Å
35L44.7Very low48.8Very low128 Ų128105.1 Ų105.167%0.6758%0.577SS**Hα-helixtrans-83.2-24.1177.5-69.3168.9000112.6L31 L32 A37L31-L35 WeakPolarHBondContact O-CG 3.1Å; L31-L35 PolarHBondContact O-N 2.93Å; L31-L35 VanDerWaalsContact O-N 3.16Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.85Å; L35-A37 PolarHBondContact O-N 3.49Å
36D51.7Low48.2Very low147 Ų147106.4 Ų106.479%0.78657%0.573SS**THydrogen-bonded Turntrans-68.4-13.3175.3-74.1-52.1000114.6L32L32-D36 PolarHBondContact O-N 3.22Å
37A47.7Very low48.1Very low77 Ų77108.9 Ų108.964%0.63658%0.583SS**THydrogen-bonded Turntrans-119.53.4-166.500000116.1L35L35-A37 PolarHBondContact O-N 3.49Å
38R50.6Low47.1Very low221 Ų221109.5 Ų109.583%0.83458%0.584SS**SBendtrans-138.493173.5-71.2-164.4174.3-161-2.5110.2
39P51.8Low47Very low95 Ų95107.5 Ų107.562%0.61757%0.568SS**  trans-77.2149-154.329.2-36.5000113.7A41 A42P39-A41 HydrophobicContact CB-CB 3.96Å; P39-A41 HydrophobicContact CG-CB 4.02Å; P39-A41 PolarHBondContact O-N 2.87Å; P39-A42 PolarHBondContact O-N 3.11Å
40L44.4Very low47Very low145 Ų14599 Ų9976%0.75954%0.544SS*.THydrogen-bonded Turntrans-55.7-11.4165.5-73.487.3000113.3A42 R43 A44L40-A42 PolarHBondContact O-N 3.48Å; L40-R43 PolarHBondContact O-N 2.98Å; L40-A44 WeakPolarHBondContact O-CB 3.44Å; L40-A44 PolarHBondContact O-N 2.79Å
41A47Very low46.8Very low40 Ų4099.4 Ų99.433%0.33155%0.549SS..Hα-helixtrans-50.1-39.2173.900000113.4P39 R43 A45P39-A41 HydrophobicContact CB-CB 3.96Å; P39-A41 HydrophobicContact CG-CB 4.02Å; P39-A41 PolarHBondContact O-N 2.87Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.03Å; A41-A45 WeakPolarHBondContact O-CB 3.27Å; A41-A45 PolarHBondContact O-N 3.33Å
42A42.9Very low46.9Very low77 Ų7798.3 Ų98.364%0.63655%0.546SS*.Hα-helixtrans-69.8-28.4178.700000113.3P39 L40P39-A42 PolarHBondContact O-N 3.11Å; L40-A42 PolarHBondContact O-N 3.48Å
43R42.4Very low46.5Very low197 Ų197101.1 Ų101.174%0.74355%0.548SS*.Hα-helixtrans-82.9-47.9176.7-152.279.4169.4-151.7-2.8110.3L40 A41 A45 V46 D47L40-R43 PolarHBondContact O-N 2.98Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.03Å; R43-A45 PolarHBondContact O-N 3.21Å; R43-V46 WeakPolarHBondContact O-CB 3.5Å; R43-V46 PolarHBondContact O-N 3.48Å; R43-D47 PolarHBondContact O-N 2.73Å
44A50.4Low46.3Very low39 Ų39108.7 Ų108.732%0.32256%0.562SS.*Hα-helixtrans-57.2-36.6174.700000112.2L40 V46 D47 V48L40-A44 WeakPolarHBondContact O-CB 3.44Å; L40-A44 PolarHBondContact O-N 2.79Å; A44-V46 VanDerWaalsContact C-N 3.34Å; A44-V46 PolarHBondContact O-N 3.26Å; A44-D47 PolarHBondContact O-N 2.81Å; A44-V48 WeakPolarHBondContact O-CB 3.32Å; A44-V48 VanDerWaalsContact O-CG2 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 2.88Å; A44-V48 PolarHBondContact O-N 3.46Å
45A43.6Very low46.2Very low18 Ų18103 Ų10315%0.14955%0.552CS.*Hα-helixtrans-61.8-37.2173.700000113.5A41 R43 A49 V94A41-A45 WeakPolarHBondContact O-CB 3.27Å; A41-A45 PolarHBondContact O-N 3.33Å; R43-A45 PolarHBondContact O-N 3.21Å; A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 3.35Å; A45-V94 HydrophobicContact CB-CB 4.49Å; A45-V94 HydrophobicContact CB-CG1 3.73Å; A45-V94 HydrophobicContact CB-CG2 4.3Å
46V42.8Very low45.7Very low85 Ų8599.6 Ų99.652%0.51555%0.547SS..Hα-helixtrans-68.7-41177.11740000110.6R43 A44 A49 A50R43-V46 WeakPolarHBondContact O-CB 3.5Å; R43-V46 PolarHBondContact O-N 3.48Å; A44-V46 VanDerWaalsContact C-N 3.34Å; A44-V46 PolarHBondContact O-N 3.26Å; V46-A49 PolarHBondContact O-N 3.01Å; V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.43Å
47D49.2Very low45.2Very low99 Ų9996.6 Ų96.653%0.52954%0.543SS..Hα-helixtrans-74-38.3179.7-65.9-38.5000112.4R43 A44 A50 L51R43-D47 PolarHBondContact O-N 2.73Å; A44-D47 PolarHBondContact O-N 2.81Å; D47-A50 CarbonylContact O-C 3.6Å; D47-A50 PolarHBondContact O-N 3.31Å; D47-L51 WeakPolarHBondContact O-CB 3.4Å; D47-L51 PolarHBondContact O-N 2.97Å
48V43.1Very low44.9Very low88 Ų8897.8 Ų97.853%0.53354%0.543SS..Hα-helixtrans-64.4-43.9169.91710000110.3A44 A50 L51 V52A44-V48 WeakPolarHBondContact O-CB 3.32Å; A44-V48 VanDerWaalsContact O-CG2 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 2.88Å; A44-V48 PolarHBondContact O-N 3.46Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 2.83Å; V48-L51 PolarHBondContact O-N 3.5Å; V48-V52 HydrophobicContact CG1-CG2 4.37Å; V48-V52 WeakPolarHBondContact O-CB 3.42Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 3.4Å
49A43.2Very low44.2Very low29 Ų2990.5 Ų90.524%0.2452%0.52CS..Hα-helixtrans-65.8-30.8173.900000112.4A45 V46 R53A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 3.35Å; V46-A49 PolarHBondContact O-N 3.01Å; A49-R53 VanDerWaalsContact O-CB 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.42Å; A49-R53 WeakPolarHBondContact O-CG 3.44Å; A49-R53 PolarHBondContact O-N 2.8Å; A49-R53 PolarHBondContact O-NE 3.05Å
50A47.8Very low43.6Very low38 Ų3893.7 Ų93.731%0.31452%0.52SS..Hα-helixtrans-70.3-40.317200000111.4V46 D47 V48 R53 R54V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.43Å; D47-A50 CarbonylContact O-C 3.6Å; D47-A50 PolarHBondContact O-N 3.31Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 2.83Å; A50-R53 PolarHBondContact O-N 2.77Å; A50-R54 WeakPolarHBondContact O-CB 3.16Å; A50-R54 PolarHBondContact O-N 3.3Å
51L49.5Very low43.2Very low124 Ų12488 Ų8865%0.64949%0.489SS*.Hα-helixtrans-64.1-45.9174.6-166.972.3000111.3D47 V48 R53 R54 A55D47-L51 WeakPolarHBondContact O-CB 3.4Å; D47-L51 PolarHBondContact O-N 2.97Å; V48-L51 PolarHBondContact O-N 3.5Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 3.44Å; L51-R54 PolarHBondContact O-N 2.86Å; L51-A55 VanDerWaalsContact O-CB 3.3Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 2.82Å
52V48.9Very low42.4Very low64 Ų6494.4 Ų94.439%0.38851%0.505SS..Hα-helixtrans-62.8-35.6175.1169.40000112V48 L59V48-V52 HydrophobicContact CG1-CG2 4.37Å; V48-V52 WeakPolarHBondContact O-CB 3.42Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 3.4Å; V52-L59 HydrophobicContact CG1-CD1 4.4Å; V52-L59 HydrophobicContact CG2-CD1 4.07Å
53R41Very low42Very low174 Ų17498.5 Ų98.566%0.65750%0.504SS*.Hα-helixtrans-73.3-40.2173.2-76.4175.2-68.5178.32.2112.4A49 A50 L51 A55 G56A49-R53 VanDerWaalsContact O-CB 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.42Å; A49-R53 WeakPolarHBondContact O-CG 3.44Å; A49-R53 PolarHBondContact O-N 2.8Å; A49-R53 PolarHBondContact O-NE 3.05Å; A50-R53 PolarHBondContact O-N 2.77Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 3.44Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.09Å; R53-G56 PolarHBondContact O-N 3.01Å
54R41.6Very low41.4Very low227 Ų22795.3 Ų95.386%0.85750%0.496SS*.Hα-helixtrans-73-22.2179.1-165.5177.5-171.6-151.61.8112.9A50 L51 G56A50-R54 WeakPolarHBondContact O-CB 3.16Å; A50-R54 PolarHBondContact O-N 3.3Å; L51-R54 PolarHBondContact O-N 2.86Å; R54-G56 PolarHBondContact O-N 2.75Å
55A45.6Very low40.5Very low52 Ų52102 Ų10243%0.4352%0.52SS..THydrogen-bonded Turntrans-67.7-14.3175.400000114L51 R53L51-A55 VanDerWaalsContact O-CB 3.3Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 2.82Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.09Å
56G35Very low40.2Very low55 Ų55104.8 Ų104.857%0.56754%0.543SS*.  trans73.67816900000114.4R53 R54R53-G56 PolarHBondContact O-N 3.01Å; R54-G56 PolarHBondContact O-N 2.75Å
57A41.7Very low39.6Very low84 Ų84107.6 Ų107.669%0.69456%0.56SS**SBendtrans67.8152.4173.900000117.4L59A57-L59 PolarHBondContact O-N 3.28Å
58T40.3Very low38.6Very low103 Ų103107.6 Ų107.663%0.63257%0.568SS**  trans60.441.6162.451.40000120.6R60T58-R60 VanDerWaalsContact C-N 3.3Å; T58-R60 PolarHBondContact O-N 3.24Å
59L37Very low38.2Very low67 Ų67110.5 Ų110.535%0.35159%0.586SS.*  trans-74.588.5146.5-84.7168.8000109.7V52 A57 L61 V77V52-L59 HydrophobicContact CG1-CD1 4.4Å; V52-L59 HydrophobicContact CG2-CD1 4.07Å; A57-L59 PolarHBondContact O-N 3.28Å; L59-L61 HydrophobicContact CB-CD1 4.23Å; L59-V77 HydrophobicContact CD2-CG1 4.05Å
60R38.8Very low37.8Very low163 Ų163116 Ų11662%0.61561%0.61SS**  trans-103.9126176.2-105.7-177.4163.3-90.70.4109.7T58 I87T58-R60 VanDerWaalsContact C-N 3.3Å; T58-R60 PolarHBondContact O-N 3.24Å; R60-I87 WeakPolarHBondContact O-CD1 3.3Å
61L35.2Very low37.4Very low24 Ų24119 Ų11913%0.12662%0.621CS.*  trans-140.8147.5-172.7-54.1115.1000107.3L59 I75 H90 R91 P92L59-L61 HydrophobicContact CB-CD1 4.23Å; L61-I75 HydrophobicContact CD2-CG2 3.5Å; L61-H90 WeakPolarHBondContact CB-O 3.27Å; L61-H90 WeakPolarHBondContact CD2-O 3.41Å; L61-R91 VanDerWaalsContact CB-CA 3.41Å; L61-R91 HydrophobicContact CB-CB 3.61Å; L61-R91 HydrophobicContact CB-CG 4.02Å; L61-R91 HydrophobicContact CD1-CB 4.3Å; L61-R91 HydrophobicContact CD1-CG 3.78Å; L61-P92 HydrophobicContact CD1-CG 4.46Å
62R31.2Very low36.7Very low176 Ų176117.2 Ų117.266%0.66462%0.619SS**  trans-114.6-137.1-162.8-83.9-66.4-155.5170.96.8113.8D89 H90R62-D89 CarbonylContact C-O 3.56Å; R62-D89 WeakPolarHBondContact CA-OD1 3.26Å; R62-D89 WeakPolarHBondContact CB-OD1 3.33Å; R62-H90 WeakPolarHBondContact O-CA 2.97Å
63R32.8Very low35.9Very low163 Ų163114.7 Ų114.762%0.61561%0.605SS**  trans-155.3116.7167.4-168.6-176-177177.12.2110.7D89R63-D89 CarbonylContact C-O 3.53Å; R63-D89 VanDerWaalsContact C-OD1 3.3Å; R63-D89 WeakPolarHBondContact CA-O 3.45Å; R63-D89 PolarHBondContact N-O 3.08Å; R63-D89 PolarHBondContact N-OD1 3.24Å
64K30.1Very low35.5Very low130 Ų130112.1 Ų112.157%0.56560%0.604SS**PPolyproline II helixtrans-84.7141.9167.4-155.3163.2-177.4176.90110.2V88 D89 H90K64-V88 HydrophobicContact CD-CG1 4.42Å; K64-D89 WeakPolarHBondContact CA-OD2 3.12Å; K64-D89 HydrophobicContact CB-CB 3.59Å; K64-D89 VanDerWaalsContact CB-OD2 3.27Å; K64-D89 WeakPolarHBondContact CB-OD2 3.49Å; K64-D89 PolarHBondContact N-O 2.83Å; K64-D89 PolarHBondContact N-OD2 2.94Å; K64-H90 PolarHBondContact N-NE2 3.35Å; K64-H90 PolarHBondContact O-CE1 3.09Å; K64-H90 VanDerWaalsContact O-CE1 3.27Å
65E32Very low35.1Very low178 Ų178101.5 Ų101.583%0.83257%0.565SS**PPolyproline II helixtrans-83.2140.5-175.9-63.1-175.4163.900111.1
66A37Very low34.7Very low77 Ų77100.5 Ų100.564%0.63655%0.551SS**PPolyproline II helixtrans-87.5140.1-158.600000113.5
67V30.2Very low34.6Very low144 Ų14499.5 Ų99.587%0.87353%0.534SS*.  trans-142.461.2162.5-157.80000111.9
68S28.8Very low34.2Very low99 Ų9997.5 Ų97.569%0.69251%0.513SS*.SBendtrans-173.7156.3153.334.70000112.4L70S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 3.06Å
69V34.7Very low34Very low150 Ų15095 Ų9591%0.90950%0.495SS*.SBendtrans-80.96.1-162.3171.40000114.6
70L34.9Very low33.9Very low143 Ų14396.7 Ų96.775%0.74951%0.513SS*.SBendtrans-122.3116.3167.2-69.6170.9000107.4S68 S72S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 3.06Å; L70-S72 PolarHBondContact O-N 2.87Å; L70-S72 PolarHBondContact O-OG 2.8Å
71D38.6Very low33.9Very low102 Ų10298 Ų9855%0.54552%0.518SS..  trans-61.978.7-170.1-159.1-124.5000111.4
72S35.5Very low33.9Very low87 Ų8799.8 Ų99.861%0.60853%0.528SS*.  trans-99.298.8179.6-64.40000108.5L70L70-S72 PolarHBondContact O-N 2.87Å; L70-S72 PolarHBondContact O-OG 2.8Å
73A32.5Very low33.8Very low11 Ų1196.6 Ų96.69%0.09153%0.53CS..  trans-92.5112.7171.200000109.3I75 H90A73-I75 HydrophobicContact CB-CD1 4.48Å; A73-I75 HydrophobicContact CB-CG1 4.23Å; A73-H90 HydrophobicContact CB-CB 3.89Å; A73-H90 VanDerWaalsContact CB-CG 3.45Å
74D31.9Very low33.7Very low119 Ų11997.5 Ų97.564%0.63654%0.54SS*.  trans-71.5127.3162.2-67.7-56.5000108.7V88 D89 H90D74-V88 CarbonylContact O-C 3.56Å; D74-D89 PolarHBondContact O-N 2.88Å; D74-H90 PolarHBondContact O-CD2 2.86Å
75I34.3Very low33.9Very low5 Ų591.9 Ų91.93%0.02652%0.519CS..  trans-125.893.1-175.9-51.8-175.6000108.7L61 A73 H90 L125 I129L61-I75 HydrophobicContact CD2-CG2 3.5Å; A73-I75 HydrophobicContact CB-CD1 4.48Å; A73-I75 HydrophobicContact CB-CG1 4.23Å; I75-H90 HydrophobicContact CD1-CB 4.03Å; I75-H90 HydrophobicContact CG1-CB 3.94Å; I75-H90 WeakPolarHBondContact CG2-O 3.21Å; I75-L125 VanDerWaalsContact O-O 3.14Å; I75-I129 HydrophobicContact CD1-CD1 3.81Å; I75-I129 HydrophobicContact CD1-CG1 4.36Å
76E35.3Very low34.1Very low31 Ų3188.2 Ų88.215%0.14551%0.509CS..  trans-78.7139.1169.4-176.3162.3-164.200111.2A85 T86 I87 V88 Q124E76-A85 HydrophobicContact CG-CB 4.39Å; E76-A85 WeakPolarHBondContact OE1-CA 3.43Å; E76-T86 PolarHBondContact OE1-N 3.14Å; E76-T86 PolarHBondContact OE1-OG1 3.26Å; E76-T86 WeakPolarHBondContact OE2-CA 3.4Å; E76-T86 PolarHBondContact OE2-N 3.37Å; E76-T86 PolarHBondContact OE2-OG1 3.43Å; E76-I87 VanDerWaalsContact O-CG1 3.32Å; E76-I87 WeakPolarHBondContact O-CG1 3.14Å; E76-V88 WeakPolarHBondContact CB-O 3.49Å; E76-V88 PolarHBondContact N-O 3.49Å; E76-Q124 PolarHBondContact OE1-NE2 3.25Å
77V34.5Very low34.1Very low34 Ų3487.5 Ų87.521%0.20649%0.493CS..  trans-115.6103.6-174.1179.50000109.6L59 D79L59-V77 HydrophobicContact CD2-CG1 4.05Å; V77-D79 PolarHBondContact O-N 3.25Å
78T33.6Very low34.4Very low42 Ų4283.7 Ų83.726%0.25847%0.47SS..  trans-85.796.6168.6-44.80000110.2S80 A85 I87T78-S80 PolarHBondContact O-N 2.87Å; T78-A85 HydrophobicContact CG2-CB 4.25Å; T78-A85 VanDerWaalsContact CG2-O 3.27Å; T78-A85 WeakPolarHBondContact CG2-O 3.32Å; T78-A85 PolarHBondContact OG1-O 2.83Å; T78-I87 WeakPolarHBondContact OG1-CD1 3.28Å; T78-I87 WeakPolarHBondContact OG1-CG1 3.29Å; T78-I87 PolarHBondContact OG1-N 3.4Å
79D35.3Very low35.1Very low49 Ų4980.3 Ų80.326%0.26244%0.444SS..  trans-68.6121151.8-174.3-14000107V77 R81 L82V77-D79 PolarHBondContact O-N 3.25Å; D79-R81 PolarHBondContact O-N 3.47Å; D79-R81 WeakPolarHBondContact OD1-CB 3.31Å; D79-R81 IonicContact OD1-CZ 3.72Å; D79-R81 PolarHBondContact OD1-N 3.21Å; D79-R81 IonicContact OD1-NE 3.03Å; D79-R81 PolarHBondContact OD1-NE 2.81Å; D79-R81 IonicContact OD1-NH2 3.5Å; D79-R81 IonicContact OD2-CZ 3.53Å; D79-R81 IonicContact OD2-NE 3.33Å; D79-R81 PolarHBondContact OD2-NE 2.8Å; D79-R81 IonicContact OD2-NH2 2.87Å; D79-R81 PolarHBondContact OD2-NH2 3.23Å; D79-L82 HydrophobicContact CB-CB 4.31Å; D79-L82 HydrophobicContact CB-CD1 3.87Å; D79-L82 HydrophobicContact CB-CG 4.01Å; D79-L82 PolarHBondContact O-N 2.78Å
80S33.8Very low35.4Very low104 Ų10474.7 Ų74.773%0.72741%0.408SS*.THydrogen-bonded Turntrans-70.35.6177.848.30000114.1T78T78-S80 PolarHBondContact O-N 2.87Å
81R39.3Very low35.9Very low189 Ų18974.6 Ų74.671%0.71340%0.398SS*.THydrogen-bonded Turntrans-100.4-6.5165.5-62.4167.7-63.9-172.65.2113.4D79D79-R81 PolarHBondContact O-N 3.47Å; D79-R81 WeakPolarHBondContact OD1-CB 3.31Å; D79-R81 IonicContact OD1-CZ 3.72Å; D79-R81 PolarHBondContact OD1-N 3.21Å; D79-R81 IonicContact OD1-NE 3.03Å; D79-R81 PolarHBondContact OD1-NE 2.81Å; D79-R81 IonicContact OD1-NH2 3.5Å; D79-R81 IonicContact OD2-CZ 3.53Å; D79-R81 IonicContact OD2-NE 3.33Å; D79-R81 PolarHBondContact OD2-NE 2.8Å; D79-R81 IonicContact OD2-NH2 2.87Å; D79-R81 PolarHBondContact OD2-NH2 3.23Å
82L36.4Very low36.4Very low63 Ų6372.6 Ų72.633%0.3339%0.39SS..SBendtrans-99.4117.6170.4-67.3173.2000108D79 H84 P123D79-L82 HydrophobicContact CB-CB 4.31Å; D79-L82 HydrophobicContact CB-CD1 3.87Å; D79-L82 HydrophobicContact CB-CG 4.01Å; D79-L82 PolarHBondContact O-N 2.78Å; L82-H84 PolarHBondContact O-N 3.41Å; L82-H84 VanDerWaalsContact O-N 3.17Å; L82-P123 VanDerWaalsContact CD1-CA 3.47Å; L82-P123 HydrophobicContact CD1-CB 3.63Å; L82-P123 HydrophobicContact CD2-CB 4.14Å; L82-P123 HydrophobicContact CG-CB 4.35Å
83P28.7Very low36.9Very low109 Ų10974.1 Ų74.171%0.70839%0.388SS*.SBendtrans-68.6118.3-178.828.3-33000109.3
84H29.8Very low37.3Very low181 Ų18178.7 Ų78.784%0.83841%0.414SS*.  trans6976173.4-41.8-73.8000116L82L82-H84 PolarHBondContact O-N 3.41Å; L82-H84 VanDerWaalsContact O-N 3.17Å
85A34.2Very low38Very low13 Ų1374.5 Ų74.511%0.10740%0.4CS..  trans-116.1144.7150.600000109E76 T78E76-A85 HydrophobicContact CG-CB 4.39Å; E76-A85 WeakPolarHBondContact OE1-CA 3.43Å; T78-A85 HydrophobicContact CG2-CB 4.25Å; T78-A85 VanDerWaalsContact CG2-O 3.27Å; T78-A85 WeakPolarHBondContact CG2-O 3.32Å; T78-A85 PolarHBondContact OG1-O 2.83Å
86T36.9Very low38.8Very low101 Ų10175.9 Ų75.962%0.6241%0.407SS*.  trans-116.462.6-163390000113.9E76 V88E76-T86 PolarHBondContact OE1-N 3.14Å; E76-T86 PolarHBondContact OE1-OG1 3.26Å; E76-T86 WeakPolarHBondContact OE2-CA 3.4Å; E76-T86 PolarHBondContact OE2-N 3.37Å; E76-T86 PolarHBondContact OE2-OG1 3.43Å; T86-V88 WeakPolarHBondContact O-CG2 3.46Å; T86-V88 PolarHBondContact O-N 3.02Å
87I37.3Very low39.5Very low62 Ų6277.8 Ų77.832%0.31842%0.418SS..  trans-31.5110.1-176.2-72.5147.5000115.3R60 E76 T78R60-I87 WeakPolarHBondContact O-CD1 3.3Å; E76-I87 VanDerWaalsContact O-CG1 3.32Å; E76-I87 WeakPolarHBondContact O-CG1 3.14Å; T78-I87 WeakPolarHBondContact OG1-CD1 3.28Å; T78-I87 WeakPolarHBondContact OG1-CG1 3.29Å; T78-I87 PolarHBondContact OG1-N 3.4Å
88V36.7Very low40.7Very low63 Ų6379 Ų7938%0.38243%0.425SS..  trans-143.9121.6158.9-123.80000103.2K64 D74 E76 T86K64-V88 HydrophobicContact CD-CG1 4.42Å; D74-V88 CarbonylContact O-C 3.56Å; E76-V88 WeakPolarHBondContact CB-O 3.49Å; E76-V88 PolarHBondContact N-O 3.49Å; T86-V88 WeakPolarHBondContact O-CG2 3.46Å; T86-V88 PolarHBondContact O-N 3.02Å
89D42.3Very low41.9Very low28 Ų2879.5 Ų79.515%0.1543%0.426CS..SBendcis-165.323.31.9-143.4-23.6000117.1R62 R63 K64 D74R62-D89 CarbonylContact C-O 3.56Å; R62-D89 WeakPolarHBondContact CA-OD1 3.26Å; R62-D89 WeakPolarHBondContact CB-OD1 3.33Å; R63-D89 CarbonylContact C-O 3.53Å; R63-D89 VanDerWaalsContact C-OD1 3.3Å; R63-D89 WeakPolarHBondContact CA-O 3.45Å; R63-D89 PolarHBondContact N-O 3.08Å; R63-D89 PolarHBondContact N-OD1 3.24Å; K64-D89 WeakPolarHBondContact CA-OD2 3.12Å; K64-D89 HydrophobicContact CB-CB 3.59Å; K64-D89 VanDerWaalsContact CB-OD2 3.27Å; K64-D89 WeakPolarHBondContact CB-OD2 3.49Å; K64-D89 PolarHBondContact N-O 2.83Å; K64-D89 PolarHBondContact N-OD2 2.94Å; D74-D89 PolarHBondContact O-N 2.88Å
90H41.8Very low43Very low33 Ų3380.1 Ų80.115%0.15343%0.427CS..  trans-137.4134.7-176.3-57.6-118.7000116.3L61 R62 K64 A73 D74 I75 P92L61-H90 WeakPolarHBondContact CB-O 3.27Å; L61-H90 WeakPolarHBondContact CD2-O 3.41Å; R62-H90 WeakPolarHBondContact O-CA 2.97Å; K64-H90 PolarHBondContact N-NE2 3.35Å; K64-H90 PolarHBondContact O-CE1 3.09Å; K64-H90 VanDerWaalsContact O-CE1 3.27Å; A73-H90 HydrophobicContact CB-CB 3.89Å; A73-H90 VanDerWaalsContact CB-CG 3.45Å; D74-H90 PolarHBondContact O-CD2 2.86Å; I75-H90 HydrophobicContact CD1-CB 4.03Å; I75-H90 HydrophobicContact CG1-CB 3.94Å; I75-H90 WeakPolarHBondContact CG2-O 3.21Å; H90-P92 WeakPolarHBondContact O-CD 3.2Å
91R45.8Very low44.4Very low140 Ų14075.3 Ų75.353%0.52839%0.393SS..  trans-88.5108.2-178.4-166.8145-174.2-154.7-0.8114.7L61L61-R91 VanDerWaalsContact CB-CA 3.41Å; L61-R91 HydrophobicContact CB-CB 3.61Å; L61-R91 HydrophobicContact CB-CG 4.02Å; L61-R91 HydrophobicContact CD1-CB 4.3Å; L61-R91 HydrophobicContact CD1-CG 3.78Å
92P49.6Very low45.5Very low60 Ų6069.1 Ų69.139%0.3937%0.374SS..  trans-53.8138.1166.116.6-31.9000113.3L61 H90 D96 I129L61-P92 HydrophobicContact CD1-CG 4.46Å; H90-P92 WeakPolarHBondContact O-CD 3.2Å; P92-D96 WeakPolarHBondContact CA-OD2 3.32Å; P92-I129 HydrophobicContact CB-CD1 3.88Å; P92-I129 HydrophobicContact CG-CD1 4.46Å
93Q44.4Very low46.7Very low119 Ų11969.1 Ų69.156%0.55639%0.389SS*.  trans-116.1165.1176.5-55.6-170.810.900111.1G95 D96Q93-G95 PolarHBondContact O-N 2.88Å; Q93-D96 PolarHBondContact N-OD2 2.89Å; Q93-D96 VanDerWaalsContact O-CB 3.26Å; Q93-D96 WeakPolarHBondContact O-CB 3.1Å; Q93-D96 PolarHBondContact O-N 3.01Å
94V41.9Very low48Very low107 Ų10768.1 Ų68.165%0.64838%0.375SS*.THydrogen-bonded Turntrans-70.8124.5171.1163.40000108.6A45A45-V94 HydrophobicContact CB-CB 4.49Å; A45-V94 HydrophobicContact CB-CG1 3.73Å; A45-V94 HydrophobicContact CB-CG2 4.3Å
95G46.1Very low49.1Very low32 Ų3261.6 Ų61.633%0.3335%0.35SS..THydrogen-bonded Turntrans111.8-19.5-172.800000113.1Q93 P132Q93-G95 PolarHBondContact O-N 2.88Å; G95-P132 WeakPolarHBondContact O-CD 3.25Å; G95-P132 WeakPolarHBondContact O-CG 3.4Å
96D51.4Low50.2Low33 Ų3362.4 Ų62.418%0.17635%0.354CS..  trans-66.5132.3177.5-73.910000112.3P92 Q93 I129 R131P92-D96 WeakPolarHBondContact CA-OD2 3.32Å; Q93-D96 PolarHBondContact N-OD2 2.89Å; Q93-D96 VanDerWaalsContact O-CB 3.26Å; Q93-D96 WeakPolarHBondContact O-CB 3.1Å; Q93-D96 PolarHBondContact O-N 3.01Å; D96-I129 HydrophobicContact CB-CG2 3.54Å; D96-R131 WeakPolarHBondContact OD1-CG 3.33Å
97L50.1Low50.8Low72 Ų7265.2 Ų65.238%0.37736%0.36SS..EExtended strand (participates in β ladder)trans-98.2111.8178-61.6172.4000110L99 I129 R130 P132L97-L99 PolarHBondContact O-N 2.66Å; L97-I129 CarbonylContact O-C 3.59Å; L97-I129 WeakPolarHBondContact O-CA 3.38Å; L97-R130 WeakPolarHBondContact CB-O 3.39Å; L97-R130 PolarHBondContact N-O 2.73Å; L97-R130 PolarHBondContact O-N 2.73Å; L97-P132 HydrophobicContact CD1-CB 4.31Å; L97-P132 HydrophobicContact CD1-CG 4.2Å; L97-P132 HydrophobicContact CG-CG 4.26Å
98V60.3Low51.2Low58 Ų5866.1 Ų66.135%0.35238%0.384SS..EExtended strand (participates in β ladder)trans-69.4115.5171.2-174.70000108.7H100 I101 T106 L127 V128 I129V98-H100 WeakPolarHBondContact CG1-O 3.33Å; V98-I101 HydrophobicContact CG1-CG1 3.91Å; V98-T106 HydrophobicContact CG1-CG2 3.98Å; V98-T106 PolarHBondContact O-OG1 2.88Å; V98-L127 HydrophobicContact CG1-CD2 4.06Å; V98-V128 CarbonylContact C-O 2.73Å; V98-I129 HydrophobicContact CG2-CG1 4.35Å
99L57.4Low52.1Low53 Ų5365.3 Ų65.328%0.27738%0.378SS..EExtended strand (participates in β ladder)trans-93-33.4179-63.7-172.2000113.1L97 S105 T106 V128 R130L97-L99 PolarHBondContact O-N 2.66Å; L99-S105 WeakPolarHBondContact O-CA 3.09Å; L99-T106 WeakPolarHBondContact CA-OG1 3.39Å; L99-T106 PolarHBondContact O-N 3.44Å; L99-T106 PolarHBondContact O-OG1 3.44Å; L99-T106 VanDerWaalsContact O-OG1 3.09Å; L99-V128 HydrophobicContact CB-CG1 4.28Å; L99-V128 PolarHBondContact N-O 3Å; L99-R130 HydrophobicContact CD1-CB 3.64Å; L99-R130 HydrophobicContact CD2-CB 4.21Å; L99-R130 HydrophobicContact CG-CB 3.85Å
100H58.8Low52.5Low63 Ų6367.7 Ų67.729%0.29239%0.393SS..EExtended strand (participates in β ladder)trans-140.3148.9177-5478.4000111.3V98 E104 S105 L127 V128V98-H100 WeakPolarHBondContact CG1-O 3.33Å; H100-E104 CarbonylContact C-O 3.46Å; H100-E104 WeakPolarHBondContact CA-O 3.19Å; H100-E104 WeakPolarHBondContact CB-O 3.48Å; H100-S105 VanDerWaalsContact CD2-CA 3.49Å; H100-S105 WeakPolarHBondContact CD2-CA 3.14Å; H100-L127 WeakPolarHBondContact O-CA 3.36Å; H100-V128 HydrophobicContact CB-CB 3.81Å; H100-V128 HydrophobicContact CB-CG2 3.85Å; H100-V128 PolarHBondContact N-O 3.05Å; H100-V128 PolarHBondContact O-N 2.74Å; H100-V128 VanDerWaalsContact O-N 3.08Å
101I64.1Low52.7Low3 Ų372.7 Ų72.72%0.01542%0.416CS..EExtended strand (participates in β ladder)trans-126.3118.8173-58.9163.1000107.1V98 G103 E104 T106 A114 R117 I118 L125 H126 L127V98-I101 HydrophobicContact CG1-CG1 3.91Å; I101-G103 PolarHBondContact O-N 2.68Å; I101-E104 PolarHBondContact N-O 3.1Å; I101-E104 WeakPolarHBondContact O-CB 3.42Å; I101-E104 PolarHBondContact O-N 3.09Å; I101-T106 HydrophobicContact CD1-CG2 3.71Å; I101-T106 HydrophobicContact CG1-CG2 3.75Å; I101-A114 HydrophobicContact CD1-CB 4.01Å; I101-R117 HydrophobicContact CB-CB 4.39Å; I101-R117 HydrophobicContact CD1-CB 4.3Å; I101-R117 HydrophobicContact CG2-CB 3.86Å; I101-I118 HydrophobicContact CD1-CD1 4.3Å; I101-I118 HydrophobicContact CD1-CG1 4.13Å; I101-I118 HydrophobicContact CG2-CG1 4.08Å; I101-L125 HydrophobicContact CG2-CD1 3.84Å; I101-H126 CarbonylContact C-O 3.49Å; I101-H126 WeakPolarHBondContact CA-O 3.49Å; I101-L127 HydrophobicContact CB-CD2 4.2Å; I101-L127 HydrophobicContact CG1-CD2 3.81Å; I101-L127 HydrophobicContact CG2-CD2 4.12Å
102N62.7Low52.7Low59 Ų5969.2 Ų69.232%0.31642%0.417SS..THydrogen-bonded Turntrans53.435.4-178.4-60.4-28.9000114E104 G121 L125 H126N102-E104 VanDerWaalsContact C-N 3.3Å; N102-E104 PolarHBondContact O-N 2.86Å; N102-G121 VanDerWaalsContact ND2-CA 3.29Å; N102-G121 WeakPolarHBondContact ND2-CA 3.4Å; N102-L125 WeakPolarHBondContact OD1-CA 3.43Å; N102-H126 PolarHBondContact N-O 3.36Å; N102-H126 PolarHBondContact OD1-N 3.16Å
103G60.1Low52.9Low62 Ų6270.3 Ų70.364%0.63942%0.417SS*.THydrogen-bonded Turntrans85.7-12.1-176.200000114.9I101I101-G103 PolarHBondContact O-N 2.68Å
104E56.1Low53.4Low88 Ų8865.7 Ų65.741%0.41140%0.4SS..EExtended strand (participates in β ladder)trans-89.3132.4177.8-62.4-168.883.400112H100 I101 N102 R117H100-E104 CarbonylContact C-O 3.46Å; H100-E104 WeakPolarHBondContact CA-O 3.19Å; H100-E104 WeakPolarHBondContact CB-O 3.48Å; I101-E104 PolarHBondContact N-O 3.1Å; I101-E104 WeakPolarHBondContact O-CB 3.42Å; I101-E104 PolarHBondContact O-N 3.09Å; N102-E104 VanDerWaalsContact C-N 3.3Å; N102-E104 PolarHBondContact O-N 2.86Å; E104-R117 IonicContact OE1-CZ 2.91Å; E104-R117 IonicContact OE1-NE 3.06Å; E104-R117 IonicContact OE1-NH1 3.09Å; E104-R117 PolarHBondContact OE1-NH1 3.31Å; E104-R117 VanDerWaalsContact OE1-NH1 3.1Å; E104-R117 IonicContact OE1-NH2 3.35Å; E104-R117 PolarHBondContact OE1-NH2 3.41Å; E104-R117 WeakPolarHBondContact OE2-CD 3.44Å; E104-R117 IonicContact OE2-CZ 3.76Å; E104-R117 IonicContact OE2-NE 2.7Å; E104-R117 PolarHBondContact OE2-NE 3.16Å; E104-R117 IonicContact OE2-NH1 3.96Å; E104-R117 PolarHBondContact OE2-NH1 3.33Å; E104-R117 VanDerWaalsContact OE2-NH1 3.09Å; E104-R117 IonicContact OE2-NH2 3.8Å; E104-R117 PolarHBondContact OE2-NH2 3.2Å
105S54Low54.2Low44 Ų4463.1 Ų63.131%0.30838%0.384SS..EExtended strand (participates in β ladder)trans-61.7138.9177.4-177.80000111.9L99 H100 Q107L99-S105 WeakPolarHBondContact O-CA 3.09Å; H100-S105 VanDerWaalsContact CD2-CA 3.49Å; H100-S105 WeakPolarHBondContact CD2-CA 3.14Å; S105-Q107 VanDerWaalsContact C-N 3.28Å; S105-Q107 WeakPolarHBondContact OG-CB 3.47Å; S105-Q107 WeakPolarHBondContact OG-CG 3.44Å; S105-Q107 PolarHBondContact OG-N 2.88Å; S105-Q107 VanDerWaalsContact OG-N 3.16Å
106T56.8Low55Low31 Ų3167.8 Ų67.819%0.1940%0.397CS..  trans-81.4-8.5171.860.20000112.8V98 L99 I101 G108 L109V98-T106 HydrophobicContact CG1-CG2 3.98Å; V98-T106 PolarHBondContact O-OG1 2.88Å; L99-T106 WeakPolarHBondContact CA-OG1 3.39Å; L99-T106 PolarHBondContact O-N 3.44Å; L99-T106 PolarHBondContact O-OG1 3.44Å; L99-T106 VanDerWaalsContact O-OG1 3.09Å; I101-T106 HydrophobicContact CD1-CG2 3.71Å; I101-T106 HydrophobicContact CG1-CG2 3.75Å; T106-G108 PolarHBondContact O-N 2.99Å; T106-L109 PolarHBondContact O-N 3.24Å; T106-L109 VanDerWaalsContact O-N 3.13Å
107Q49.1Very low55.5Low159 Ų15969.6 Ų69.674%0.74340%0.402SS*.THydrogen-bonded Turntrans-64.3122.7179.3-65.5-177.1-31.100110.6S105 L109S105-Q107 VanDerWaalsContact C-N 3.28Å; S105-Q107 WeakPolarHBondContact OG-CB 3.47Å; S105-Q107 WeakPolarHBondContact OG-CG 3.44Å; S105-Q107 PolarHBondContact OG-N 2.88Å; S105-Q107 VanDerWaalsContact OG-N 3.16Å; Q107-L109 VanDerWaalsContact C-N 3.29Å; Q107-L109 PolarHBondContact O-N 3.28Å
108G46.7Very low56.2Low81 Ų8169.8 Ų69.884%0.83540%0.402SS*.THydrogen-bonded Turntrans81.2-3-177.600000115.2T106T106-G108 PolarHBondContact O-N 2.99Å
109L54.8Low56.4Low47 Ų4776.6 Ų76.625%0.24642%0.422CS..  trans-75.9139172.7-61-172.4000111.3T106 Q107 Q113 R117T106-L109 PolarHBondContact O-N 3.24Å; T106-L109 VanDerWaalsContact O-N 3.13Å; Q107-L109 VanDerWaalsContact C-N 3.29Å; Q107-L109 PolarHBondContact O-N 3.28Å; L109-Q113 HydrophobicContact CB-CB 4.46Å; L109-R117 HydrophobicContact CD1-CG 4.43Å
110T50.1Low56.5Low77 Ų7778 Ų7847%0.47244%0.44SS..  trans-72.2158.5165.565.90000110.9A112 Q113 A114T110-A112 VanDerWaalsContact C-N 3.26Å; T110-A112 PolarHBondContact O-N 3.01Å; T110-Q113 PolarHBondContact O-N 2.85Å; T110-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 VanDerWaalsContact OG1-CD 3.29Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.28Å; T110-Q113 PolarHBondContact OG1-N 3.41Å; T110-Q113 PolarHBondContact OG1-OE1 2.87Å; T110-A114 PolarHBondContact O-N 3.22Å
111H46.5Very low56.5Low138 Ų13875.9 Ų75.964%0.63944%0.436SS*.Hα-helixtrans-54.6-41.4177.1175.369.3000112.8A114 V115H111-A114 PolarHBondContact O-N 2.96Å; H111-V115 WeakPolarHBondContact O-CG2 3.17Å; H111-V115 PolarHBondContact O-N 2.97Å
112A46.5Very low56Low67 Ų6778.3 Ų78.355%0.55446%0.462SS*.Hα-helixtrans-62-45.917800000111.7T110 V115 E116T110-A112 VanDerWaalsContact C-N 3.26Å; T110-A112 PolarHBondContact O-N 3.01Å; A112-V115 PolarHBondContact O-N 3.14Å; A112-E116 WeakPolarHBondContact O-CB 3.43Å; A112-E116 PolarHBondContact O-N 3.28Å
113Q52.5Low55.4Low83 Ų8379.2 Ų79.239%0.38847%0.471SS..Hα-helixtrans-63.7-41.6177-70.7163.4-47.700111.9L109 T110 V115 E116 R117L109-Q113 HydrophobicContact CB-CB 4.46Å; T110-Q113 PolarHBondContact O-N 2.85Å; T110-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 VanDerWaalsContact OG1-CD 3.29Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.28Å; T110-Q113 PolarHBondContact OG1-N 3.41Å; T110-Q113 PolarHBondContact OG1-OE1 2.87Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.43Å; Q113-E116 PolarHBondContact O-N 3.13Å; Q113-R117 WeakPolarHBondContact O-CG 3.37Å; Q113-R117 PolarHBondContact O-N 3.46Å
114A54.7Low54.8Low22 Ų2280.8 Ų80.818%0.18246%0.461CS..Hα-helixtrans-61.9-40.2175.400000112.3I101 T110 H111 R117 I118I101-A114 HydrophobicContact CD1-CB 4.01Å; T110-A114 PolarHBondContact O-N 3.22Å; H111-A114 PolarHBondContact O-N 2.96Å; A114-R117 PolarHBondContact O-N 3.37Å; A114-I118 WeakPolarHBondContact O-CD1 3.4Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.42Å; A114-I118 PolarHBondContact O-N 3.21Å; A114-I118 VanDerWaalsContact O-N 3.14Å
115V60Low54.8Low53 Ų5377.9 Ų77.932%0.32145%0.449SS..Hα-helixtrans-68.1-37.5174.9170.40000111.8H111 A112 Q113 I118 R119H111-V115 WeakPolarHBondContact O-CG2 3.17Å; H111-V115 PolarHBondContact O-N 2.97Å; A112-V115 PolarHBondContact O-N 3.14Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.43Å; V115-I118 PolarHBondContact O-N 3.26Å; V115-R119 WeakPolarHBondContact O-CG 3.46Å; V115-R119 PolarHBondContact O-N 3.11Å
116E62.2Low54.9Low130 Ų13080.3 Ų80.361%0.60746%0.455SS*.Hα-helixtrans-63.9-44.9174.6-173.9174.9-161.400111.5A112 Q113 I118 R119 A120A112-E116 WeakPolarHBondContact O-CB 3.43Å; A112-E116 PolarHBondContact O-N 3.28Å; Q113-E116 PolarHBondContact O-N 3.13Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.41Å; E116-R119 CarbonylContact O-C 3.58Å; E116-R119 PolarHBondContact O-N 3.42Å; E116-R119 VanDerWaalsContact O-N 3.09Å; E116-A120 VanDerWaalsContact O-CB 3.28Å; E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 2.94Å
117R62.5Low55.1Low72 Ų7280 Ų8027%0.27245%0.452SS..Hα-helixtrans-57.6-41.8174.3-66.5-80.4176.392.9-20112.4I101 E104 L109 Q113 A114 A120 G121I101-R117 HydrophobicContact CB-CB 4.39Å; I101-R117 HydrophobicContact CD1-CB 4.3Å; I101-R117 HydrophobicContact CG2-CB 3.86Å; E104-R117 IonicContact OE1-CZ 2.91Å; E104-R117 IonicContact OE1-NE 3.06Å; E104-R117 IonicContact OE1-NH1 3.09Å; E104-R117 PolarHBondContact OE1-NH1 3.31Å; E104-R117 VanDerWaalsContact OE1-NH1 3.1Å; E104-R117 IonicContact OE1-NH2 3.35Å; E104-R117 PolarHBondContact OE1-NH2 3.41Å; E104-R117 WeakPolarHBondContact OE2-CD 3.44Å; E104-R117 IonicContact OE2-CZ 3.76Å; E104-R117 IonicContact OE2-NE 2.7Å; E104-R117 PolarHBondContact OE2-NE 3.16Å; E104-R117 IonicContact OE2-NH1 3.96Å; E104-R117 PolarHBondContact OE2-NH1 3.33Å; E104-R117 VanDerWaalsContact OE2-NH1 3.09Å; E104-R117 IonicContact OE2-NH2 3.8Å; E104-R117 PolarHBondContact OE2-NH2 3.2Å; L109-R117 HydrophobicContact CD1-CG 4.43Å; Q113-R117 WeakPolarHBondContact O-CG 3.37Å; Q113-R117 PolarHBondContact O-N 3.46Å; A114-R117 PolarHBondContact O-N 3.37Å; R117-A120 PolarHBondContact O-N 3.25Å; R117-G121 PolarHBondContact O-N 3Å
118I65.3Low55.5Low76 Ų7674.5 Ų74.539%0.3943%0.429SS..Hα-helixtrans-64.9-40.3175.5-70.1164.6000111.3I101 A114 V115 E116 L125I101-I118 HydrophobicContact CD1-CD1 4.3Å; I101-I118 HydrophobicContact CD1-CG1 4.13Å; I101-I118 HydrophobicContact CG2-CG1 4.08Å; A114-I118 WeakPolarHBondContact O-CD1 3.4Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.42Å; A114-I118 PolarHBondContact O-N 3.21Å; A114-I118 VanDerWaalsContact O-N 3.14Å; V115-I118 PolarHBondContact O-N 3.26Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.41Å; I118-L125 HydrophobicContact CB-CD1 4.32Å; I118-L125 HydrophobicContact CG1-CD1 4.17Å; I118-L125 HydrophobicContact CG1-CD2 4.27Å; I118-L125 HydrophobicContact CG2-CD1 4.39Å; I118-L125 HydrophobicContact CG2-CD2 3.92Å
119R62.8Low56.2Low201 Ų20171.4 Ų71.476%0.75839%0.393SS*.Hα-helixtrans-71.6-35.4176.8-72.9169.3170.7-86.80.8112.9V115 E116V115-R119 WeakPolarHBondContact O-CG 3.46Å; V115-R119 PolarHBondContact O-N 3.11Å; E116-R119 CarbonylContact O-C 3.58Å; E116-R119 PolarHBondContact O-N 3.42Å; E116-R119 VanDerWaalsContact O-N 3.09Å
120A59.7Low56Low81 Ų8176.6 Ų76.667%0.66941%0.41SS*.Hα-helixtrans-76.6-20.7179.800000113.2E116 R117 G122E116-A120 VanDerWaalsContact O-CB 3.28Å; E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 2.94Å; R117-A120 PolarHBondContact O-N 3.25Å; A120-G122 PolarHBondContact O-N 2.99Å; A120-G122 VanDerWaalsContact O-N 3.11Å
121G58.4Low56.1Low20 Ų2078.8 Ų78.821%0.20641%0.409CS..THydrogen-bonded Turntrans-61.1-14174.600000115N102 R117N102-G121 VanDerWaalsContact ND2-CA 3.29Å; N102-G121 WeakPolarHBondContact ND2-CA 3.4Å; R117-G121 PolarHBondContact O-N 3Å
122G55.5Low56.2Low53 Ų5374.7 Ų74.755%0.54640%0.395SS..THydrogen-bonded Turntrans63.8-131.1179.200000111.2A120A120-G122 PolarHBondContact O-N 2.99Å; A120-G122 VanDerWaalsContact O-N 3.11Å
123P49.8Very low56.2Low78 Ų7879.4 Ų79.451%0.50641%0.41SS..THydrogen-bonded Turntrans-81.2-14.8-171.432.9-36.2000115.4L82L82-P123 VanDerWaalsContact CD1-CA 3.47Å; L82-P123 HydrophobicContact CD1-CB 3.63Å; L82-P123 HydrophobicContact CD2-CB 4.14Å; L82-P123 HydrophobicContact CG-CB 4.35Å
124Q46Very low55.9Low95 Ų9582.6 Ų82.644%0.44443%0.425SS..  trans-128133.2-177.3-73.9-179.5-30.300110.1E76E76-Q124 PolarHBondContact OE1-NE2 3.25Å
125L57.8Low55.4Low28 Ų2887.5 Ų87.515%0.14745%0.453CS..  trans-133.8104-172.7-174.873.6000110.6I75 I101 N102 I118 L127I75-L125 VanDerWaalsContact O-O 3.14Å; I101-L125 HydrophobicContact CG2-CD1 3.84Å; N102-L125 WeakPolarHBondContact OD1-CA 3.43Å; I118-L125 HydrophobicContact CB-CD1 4.32Å; I118-L125 HydrophobicContact CG1-CD1 4.17Å; I118-L125 HydrophobicContact CG1-CD2 4.27Å; I118-L125 HydrophobicContact CG2-CD1 4.39Å; I118-L125 HydrophobicContact CG2-CD2 3.92Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-L127 HydrophobicContact CD2-CD1 3.92Å; L125-L127 HydrophobicContact CD2-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CG 3.97Å; L125-L127 HydrophobicContact CG-CD1 4.45Å; L125-L127 HydrophobicContact CG-CD2 3.83Å; L125-L127 HydrophobicContact CG-CG 3.95Å; L125-L127 PolarHBondContact O-N 3.15Å
126H54.3Low54.5Low94 Ų9492.9 Ų92.944%0.43547%0.474SS..  trans-86.3112.4178.5-6290.5000109.8I101 N102I101-H126 CarbonylContact C-O 3.49Å; I101-H126 WeakPolarHBondContact CA-O 3.49Å; N102-H126 PolarHBondContact N-O 3.36Å; N102-H126 PolarHBondContact OD1-N 3.16Å
127L62.1Low53.6Low25 Ų2592.8 Ų92.813%0.13149%0.485CS..EExtended strand (participates in β ladder)trans-113.7113.6179.8-61.2-176.1000111.1V98 H100 I101 L125 I129V98-L127 HydrophobicContact CG1-CD2 4.06Å; H100-L127 WeakPolarHBondContact O-CA 3.36Å; I101-L127 HydrophobicContact CB-CD2 4.2Å; I101-L127 HydrophobicContact CG1-CD2 3.81Å; I101-L127 HydrophobicContact CG2-CD2 4.12Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-L127 HydrophobicContact CD2-CD1 3.92Å; L125-L127 HydrophobicContact CD2-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CG 3.97Å; L125-L127 HydrophobicContact CG-CD1 4.45Å; L125-L127 HydrophobicContact CG-CD2 3.83Å; L125-L127 HydrophobicContact CG-CG 3.95Å; L125-L127 PolarHBondContact O-N 3.15Å; L127-I129 HydrophobicContact CB-CD1 4.28Å; L127-I129 HydrophobicContact CB-CG1 4.2Å
128V56.4Low52.3Low43 Ų4392.7 Ų92.726%0.26151%0.506SS..EExtended strand (participates in β ladder)trans-84127.5168.2-179.60000108V98 L99 H100V98-V128 CarbonylContact C-O 2.73Å; L99-V128 HydrophobicContact CB-CG1 4.28Å; L99-V128 PolarHBondContact N-O 3Å; H100-V128 HydrophobicContact CB-CB 3.81Å; H100-V128 HydrophobicContact CB-CG2 3.85Å; H100-V128 PolarHBondContact N-O 3.05Å; H100-V128 PolarHBondContact O-N 2.74Å; H100-V128 VanDerWaalsContact O-N 3.08Å
129I61.3Low51.2Low16 Ų1698.4 Ų98.48%0.08253%0.528CS..EExtended strand (participates in β ladder)trans-129.3133.3-170.7-64.2-175.6000110.4I75 P92 D96 L97 V98 L127I75-I129 HydrophobicContact CD1-CD1 3.81Å; I75-I129 HydrophobicContact CD1-CG1 4.36Å; P92-I129 HydrophobicContact CB-CD1 3.88Å; P92-I129 HydrophobicContact CG-CD1 4.46Å; D96-I129 HydrophobicContact CB-CG2 3.54Å; L97-I129 CarbonylContact O-C 3.59Å; L97-I129 WeakPolarHBondContact O-CA 3.38Å; V98-I129 HydrophobicContact CG2-CG1 4.35Å; L127-I129 HydrophobicContact CB-CD1 4.28Å; L127-I129 HydrophobicContact CB-CG1 4.2Å
130R51.4Low50.5Low156 Ų15694.9 Ų94.959%0.58953%0.531SS*.EExtended strand (participates in β ladder)trans-108.7126.5170174.3177.4-179.1-176.61.7110.2L97 L99 P132L97-R130 WeakPolarHBondContact CB-O 3.39Å; L97-R130 PolarHBondContact N-O 2.73Å; L97-R130 PolarHBondContact O-N 2.73Å; L99-R130 HydrophobicContact CD1-CB 3.64Å; L99-R130 HydrophobicContact CD2-CB 4.21Å; L99-R130 HydrophobicContact CG-CB 3.85Å; R130-P132 VanDerWaalsContact O-CD 3.31Å; R130-P132 WeakPolarHBondContact O-CD 3.36Å
131R53.2Low49.4Very low124 Ų124101.8 Ų101.847%0.46854%0.54SS..  trans-77.4116.8162.9-90.6174-72.1-161.5-3.2110.1D96D96-R131 WeakPolarHBondContact OD1-CG 3.33Å
132P47.3Very low48.9Very low52 Ų52104.5 Ų104.534%0.33857%0.567SS.*  trans-66.7132.9161.429.7-30.3000107.5G95 L97 R130 E134G95-P132 WeakPolarHBondContact O-CD 3.25Å; G95-P132 WeakPolarHBondContact O-CG 3.4Å; L97-P132 HydrophobicContact CD1-CB 4.31Å; L97-P132 HydrophobicContact CD1-CG 4.2Å; L97-P132 HydrophobicContact CG-CG 4.26Å; R130-P132 VanDerWaalsContact O-CD 3.31Å; R130-P132 WeakPolarHBondContact O-CD 3.36Å; P132-E134 PolarHBondContact O-N 3.14Å
133L47.8Very low48.5Very low165 Ų165108 Ų10886%0.86458%0.578SS**  trans-69.1104.8177.8-163.376.1000108T135L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 2.76Å
134E44.8Very low47.8Very low150 Ų150107.6 Ų107.670%0.70159%0.588SS**  trans-67.992173.4-72.9-163.9122.200109.4P132 H136P132-E134 PolarHBondContact O-N 3.14Å; E134-H136 PolarHBondContact O-N 3.2Å
135T45Very low47.5Very low126 Ų126112.1 Ų112.177%0.77361%0.609SS**  trans-57.2102.2164.1-560000107.9L133 P137L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 2.76Å; T135-P137 WeakPolarHBondContact O-CD 3.14Å
136H41.6Very low47Very low165 Ų165115.6 Ų115.676%0.76463%0.633SS**  trans-51.3123.5-175.2-58.7-67.5000111.1E134 G138E134-H136 PolarHBondContact O-N 3.2Å; H136-G138 PolarHBondContact O-N 3.08Å
137P41.7Very low46.2Very low129 Ų129122.4 Ų122.484%0.83866%0.655SS**  trans-70.289161.529-31000107.3T135 K139T135-P137 WeakPolarHBondContact O-CD 3.14Å; P137-K139 PolarHBondContact O-N 2.85Å
138G35.6Very low45.1Very low69 Ų69131 Ų13171%0.71169%0.692SS**  trans-54.3109.2-176.100000111.3H136H136-G138 PolarHBondContact O-N 3.08Å
139K41.8Very low44.1Very low197 Ų197132.5 Ų132.586%0.85772%0.715SS**  trans-75.4122.8174-145.9164.5-173.2173.20107.2P137 R141P137-K139 PolarHBondContact O-N 2.85Å; K139-R141 PolarHBondContact O-N 2.86Å
140P48.8Very low42.9Very low127 Ų127138.6 Ų138.683%0.82575%0.753SS**  trans-72.195.2-175.928.8-33.8000109.2G142P140-G142 PolarHBondContact O-N 2.98Å
141R37.7Very low42.6Very low226 Ų226137.6 Ų137.685%0.85376%0.759SS**  trans-87.290.3174.2-162.5165-152.9-96.1-2108.7K139 V143K139-R141 PolarHBondContact O-N 2.86Å; R141-V143 PolarHBondContact O-N 3.48Å
142G47.8Very low41.7Very low76 Ų76142.8 Ų142.878%0.78478%0.779SS**  trans-55.8121.9174.300000111.2P140P140-G142 PolarHBondContact O-N 2.98Å
143V45.9Very low41.5Very low127 Ų127145 Ų14577%0.7780%0.796SS**  trans-135.8127.5162.4-178.60000105.3R141R141-V143 PolarHBondContact O-N 3.48Å
144G36.2Very low41.5Very low69 Ų69143 Ų14371%0.71179%0.793SS**  trans-62.9159.1-155.500000117.8
145E38.3Very low41.2Very low190 Ų190142.6 Ų142.689%0.88880%0.795SS**  -44.9155.3128.6-74.6-171.989.200111
146P47.4Very low41.6Very low101 Ų101142.2 Ų142.266%0.65680%0.795SS**  cis-135.5165.822.539.1-22.9000115.6
147R37.5Very low41.1Very low237 Ų237138 Ų13889%0.89480%0.796SS**  179.6117.7121.1-97.4154.2178.4-127.9-5.6115.5
148K39.2Very low40.8Very low207 Ų207135.4 Ų135.490%0.979%0.793SS**  trans7.8132.5144.8-66.9-170.7172.1-169.70120.5
149G35.3Very low41.4Very low73 Ų73138.4 Ų138.475%0.75380%0.8SS**  trans82.2147.1139.700000115.6
150V37.1Very low41.5Very low145 Ų145137.8 Ų137.888%0.87980%0.8SS**  cis-141.7147.221.4170.90000110.8
151D44.4Very low41Very low135 Ų135138.2 Ų138.272%0.72280%0.8SS**  trans-62.6134.417116968.6000112.8
152R34.8Very low41Very low232 Ų232133.8 Ų133.888%0.87580%0.798SS**  trans178.9113.2139.8-100.9165-166.8-167.83.3112.3
153S42.4Very low40.4Very low100 Ų100133.7 Ų133.770%0.69980%0.797SS**  trans-76.1160.5148.5-149.70000108.8
154P47.9Very low39.8Very low123 Ų123132.7 Ų132.780%0.79980%0.796SS**  -146.215078.339.4-21.6000116.9
155D38Very low39.7Very low140 Ų140140.1 Ų140.175%0.74980%0.802SS**  trans-68.9174.1153.6-152.1-131.4000109.7
156P53.6Low39.6Very low118 Ų118135.8 Ų135.877%0.76679%0.793SS**  cis-135173.110.741.4-22.7000117.1
157G32.7Very low39.1Very low76 Ų76136.2 Ų136.278%0.78480%0.799SS**  trans-169.664.7174.700000116.3
158G33.7Very low39Very low75 Ų75130 Ų13077%0.77379%0.792SS**  trans-80.6-168.9165.700000113.2
159P48.9Very low39Very low133 Ų133126.1 Ų126.186%0.86479%0.785SS**  cis-129.9-17712.241.5-25.2000115.6
160E43.4Very low38.9Very low183 Ų183127.7 Ų127.786%0.85578%0.784SS**  trans-71.6-172.8174.1-59.4-17282.200114.7
161V38.9Very low38.7Very low137 Ų137129 Ų12983%0.8379%0.786SS**  trans99.2113.6179.6179.40000111.3
162T37.4Very low38.4Very low133 Ų133128.5 Ų128.582%0.81679%0.787SS**  -141.8147.751.346.80000114.5
163G36.4Very low38.6Very low73 Ų73126.7 Ų126.775%0.75379%0.789SS**  trans-98.7129.2157.300000110.8
164S33Very low38.4Very low106 Ų106130.4 Ų130.474%0.74180%0.795SS**  trans-169.8118.4154.7-93.20000115.6
165R33.3Very low38.4Very low225 Ų225130.4 Ų130.485%0.84980%0.795SS**  73.3128.3126.4-58.2176.2102.5-165.35.2121.4
166S36.5Very low38.7Very low99 Ų99129.3 Ų129.369%0.69280%0.795SS**  trans86.5107.2138.1-61.40000121.1
167S36.8Very low37.8Very low111 Ų111129.6 Ų129.678%0.77680%0.8SS**  47.3147106.4-46.60000122.6
168S36Very low38Very low107 Ų107137 Ų13775%0.74880%0.804SS**  trans81.7110.3171.6-57.70000114.9
169T38.3Very low37.9Very low124 Ų124138.8 Ų138.876%0.76180%0.8SS**  67.112363.470.80000115.3
170S33.2Very low37.3Very low106 Ų106139.2 Ų139.274%0.74180%0.8SS**  trans89.9106.5153.5-53.30000120.1
171L33.8Very low37Very low174 Ų174137.3 Ų137.391%0.91180%0.795SS**  trans-137.593.1146.4-76.3169.4000105.1
172V37.8Very low37Very low123 Ų123140.3 Ų140.375%0.74580%0.797SS**  48.4103.883.3-175.90000112.9
173Q38.6Very low36.8Very low194 Ų194142.6 Ų142.691%0.90780%0.796SS**  -156.1123.5128.1-73.4-150.186.100110.3
174H38.1Very low36.6Very low179 Ų179144.6 Ų144.683%0.82979%0.794SS**  trans-116.5149.1165.3-90.3-66.2000106.6
175P48Very low36.7Very low123 Ų123151.4 Ų151.480%0.79980%0.803SS**  -153.31608139.3-20.8000117.2
176P44.1Very low36.4Very low116 Ų116144.3 Ų144.375%0.75380%0.8SS**  trans-109.6148.1153.235.9-27.7000112.2
177S34.2Very low36.2Very low124 Ų124145.3 Ų145.387%0.86781%0.807SS**  trans-92149.5-177.5-720000114.3
178R37Very low36.7Very low231 Ų231145.9 Ų145.987%0.87281%0.808SS**  trans-59.9164.9165.5-53.1145.562.4-175.70.9109.6
179T32Very low36.6Very low114 Ų114148 Ų14870%0.69981%0.807SS**  cis-155.8165.33344.80000108.4
180T36.6Very low36.6Very low141 Ų141148 Ų14887%0.86581%0.808SS**  -161.1164.458.248.80000113
181L37.5Very low36.7Very low143 Ų143147.1 Ų147.175%0.74980%0.802SS**  trans-127.8130.9-164.1170.175.5000112.7
182K38.8Very low37.6Very low200 Ų200144 Ų14487%0.8779%0.792SS**  trans-153.9109.4147.5-48.1-73.1170.8169.10105.9
183K33Very low37.2Very low181 Ų181147 Ų14779%0.78780%0.798SS**  50.9128.979.7-122.7-174.9176.8179.50111.9
184T32.2Very low36.9Very low115 Ų115141.5 Ų141.571%0.70679%0.786SS**  cis-162.6133.333.8-48.50000114.2
185R34.7Very low36.9Very low249 Ų249137.9 Ų137.994%0.9479%0.787SS**  trans9.5129145.4-167-175-160.2-119.56120.8
186G27.2Very low36.4Very low77 Ų77136 Ų13679%0.79478%0.782SS**  trans146.5119.7147.200000117.7
187S33Very low35.9Very low119 Ų119137.9 Ų137.983%0.83279%0.786SS**  trans-121.4172158.6-46.10000108.2
188P46.1Very low35.9Very low123 Ų123134.9 Ų134.980%0.79977%0.774SS**  cis-124.6-175.2-21.331.4-10.4000113.1
189E34.8Very low36.3Very low153 Ų153130.3 Ų130.372%0.71577%0.774SS**  trans15.1147.8162.3-121.2-163.3105.200123.3S191E189-S191 PolarHBondContact OE1-N 3.26Å; E189-S191 PolarHBondContact OE1-OG 3.4Å
190P37.4Very low36.7Very low122 Ų122131 Ų13179%0.79278%0.779SS**  -145153.485.939.3-24000117.1
191S36.3Very low36.7Very low88 Ų88131 Ų13162%0.61578%0.778SS**  trans-73.8159.9158.9-50.20000111.4E189E189-S191 PolarHBondContact OE1-N 3.26Å; E189-S191 PolarHBondContact OE1-OG 3.4Å
192P51.3Low36.5Very low109 Ų109129 Ų12971%0.70878%0.776SS**  -157.9-179.977.242.9-22.1000118.2
193E30.6Very low37.3Very low186 Ų186125 Ų12587%0.86977%0.771SS**  trans65.1148.4153.6-80.7-175.790.600120.8
194A31.6Very low37.8Very low78 Ų78122.3 Ų122.365%0.64577%0.771SS**  cis-162171.1-5.800000111.7
195A38.4Very low38.3Very low103 Ų103125.1 Ų125.185%0.85178%0.777SS**  trans69.9147159.900000118.7
196A37.7Very low38.6Very low83 Ų83124.2 Ų124.269%0.68677%0.773SS**  cis-165.1169.9-13.400000110.6
197D34.1Very low38.9Very low157 Ų157132.5 Ų132.584%0.8478%0.781SS**  trans52.9127.9159.3-78.3-107.3000122.6
198G33.2Very low39.4Very low61 Ų61131.5 Ų131.563%0.62978%0.78SS**  trans-102165.2143.400000109.6
199P45.8Very low39Very low134 Ų134134.7 Ų134.787%0.8778%0.784SS**  -147.7166.897.836.8-20.2000116.9
200T41.1Very low39.5Very low130 Ų130134 Ų13480%0.79879%0.785SS**  trans-40.5132.4171.5-56.10000117.7
201V35Very low40Very low140 Ų140134.1 Ų134.185%0.84879%0.786SS**  trans-160.1140.4132.7167.80000109.4
202S34.2Very low40.6Very low102 Ų102136 Ų13671%0.71379%0.789SS**  trans-109.2-178.4174.8-48.70000111.7
203P55.1Low40.3Very low116 Ų116138.4 Ų138.475%0.75380%0.796SS**  -109.5-170.9-62.737.9-24.2000110.8
204P44.1Very low40.7Very low123 Ų123139 Ų13980%0.79980%0.799SS**  -145.2173.7101.638.7-23.6000115.5
205E42.2Very low41.4Very low174 Ų174143.2 Ų143.281%0.81381%0.809SS**  trans-64.1179.3-174.3-60155.47800116.2
206R41.3Very low41.8Very low231 Ų231144.3 Ų144.387%0.87281%0.807SS**  trans91.777.5159.2-48-163.9-63.6-112.17.4117.2
207R34.5Very low42.1Very low251 Ų251143.8 Ų143.895%0.94781%0.81SS**  trans-136.2138.9130.4-75.3-159-176.5-94.3-3.3111.5
208A41.8Very low42.3Very low98 Ų98141.6 Ų141.681%0.8181%0.806SS**  trans-36.2137-177.500000115.5D210A208-D210 PolarHBondContact O-N 3.16Å
209E39.4Very low43Very low190 Ų190144.4 Ų144.489%0.88881%0.814SS**  trans-57.1125.5158.7-63.6162.597.600108.8P211E209-P211 WeakPolarHBondContact O-CD 3.34Å
210D44.7Very low42.9Very low137 Ų137140.2 Ų140.273%0.73380%0.795SS**  trans-97.1108.5167.9-177.4-95.3000108A208 N212A208-D210 PolarHBondContact O-N 3.16Å; D210-N212 VanDerWaalsContact C-N 3.32Å; D210-N212 PolarHBondContact O-N 2.86Å
211P48.1Very low43.3Very low126 Ų126140 Ų14082%0.81880%0.796SS**  trans-95.451.4-175.338-34.9000111.2E209E209-P211 WeakPolarHBondContact O-CD 3.34Å
212N48.4Very low43.9Very low126 Ų126143.9 Ų143.967%0.67480%0.795SS**  trans-11860.2179.2-169.275.9000113D210D210-N212 VanDerWaalsContact C-N 3.32Å; D210-N212 PolarHBondContact O-N 2.86Å
213D45.3Very low44.9Very low160 Ų160146.2 Ų146.286%0.85680%0.799SS**  trans-158.459.8162.3-107.9-30.6000113.3
214Q38.8Very low44.9Very low199 Ų199146.8 Ų146.893%0.9380%0.8SS**  trans-142101.8161.6-76.4-168.778.200112.1
215I45.3Very low45.1Very low167 Ų167143.9 Ų143.986%0.85678%0.781SS**  trans-125.3122.9162.7-69.2174000104.2
216P46.7Very low46Very low126 Ų126139 Ų13982%0.81877%0.767SS**  -150.9159.572.938.4-18.8000118
217G44.2Very low46.7Very low72 Ų72135.5 Ų135.574%0.74276%0.76SS**  trans94.880.314600000117.6
218S39.7Very low47.6Very low110 Ų110130.1 Ų130.177%0.76975%0.746SS**  trans-159.8123.4144.3-82.40000109.6G220S218-G220 PolarHBondContact O-N 2.7Å
219P46.3Very low48.5Very low121 Ų121133 Ų13379%0.78674%0.736SS**  trans-60.3119.7159.3-13.228.1000106.9
220G45Very low49.4Very low45 Ų45128 Ų12846%0.46472%0.715SS.*  trans-56.6159.4-179.200000111.9S218 W222S218-G220 PolarHBondContact O-N 2.7Å; G220-W222 VanDerWaalsContact C-N 3.31Å; G220-W222 PolarHBondContact O-N 2.82Å
221P49.8Very low49.9Very low127 Ų127122.8 Ų122.883%0.82569%0.688SS**  trans-67.291.6-179.429.2-34.7000109.8L223P221-L223 PolarHBondContact O-N 3.36Å; P221-L223 VanDerWaalsContact O-N 3.14Å
222W47.8Very low50.3Low221 Ų221126.5 Ų126.584%0.83769%0.686SS**  trans-47.8122.3159.3-65.898.7000106.8G220 V224G220-W222 VanDerWaalsContact C-N 3.31Å; G220-W222 PolarHBondContact O-N 2.82Å; W222-V224 VanDerWaalsContact C-N 3.35Å; W222-V224 PolarHBondContact O-N 3.4Å
223L53.4Low50.7Low150 Ų150124.7 Ų124.779%0.78569%0.689SS**  trans-55.199.5-172.7-81.481.6000109.5P221 P225P221-L223 PolarHBondContact O-N 3.36Å; P221-L223 VanDerWaalsContact O-N 3.14Å; L223-P225 WeakPolarHBondContact O-CD 3.48Å; L223-P225 VanDerWaalsContact O-N 3.1Å
224V55.3Low51.2Low128 Ų128123.4 Ų123.478%0.77668%0.681SS**  trans-61113.3164.5178.80000104.6W222 S226W222-V224 VanDerWaalsContact C-N 3.35Å; W222-V224 PolarHBondContact O-N 3.4Å; V224-S226 PolarHBondContact O-N 3.39Å
225P47.8Very low52.1Low62 Ų62117.3 Ų117.340%0.40367%0.671SS.*  trans-62.6119.7177-1731.6000106.3L223 E227 R229 L230L223-P225 WeakPolarHBondContact O-CD 3.48Å; L223-P225 VanDerWaalsContact O-N 3.1Å; P225-E227 PolarHBondContact O-N 2.97Å; P225-R229 HydrophobicContact CB-CB 4.42Å; P225-L230 HydrophobicContact CB-CD2 4.1Å; P225-L230 HydrophobicContact CB-CG 4.21Å; P225-L230 HydrophobicContact CG-CD2 4.44Å
226S61.7Low52.8Low73 Ų73113.8 Ų113.851%0.5166%0.657SS.*  trans-47143.6179.8-33.70000109.8V224 E228 R229 L230V224-S226 PolarHBondContact O-N 3.39Å; S226-E228 PolarHBondContact O-N 3.08Å; S226-R229 WeakPolarHBondContact O-CA 3.36Å; S226-R229 WeakPolarHBondContact O-CB 3.45Å; S226-R229 PolarHBondContact O-N 2.9Å; S226-L230 PolarHBondContact O-N 3.41Å; S226-L230 VanDerWaalsContact O-N 3.15Å
227E57.3Low53.2Low156 Ų156115.1 Ų115.173%0.72965%0.646SS**Hα-helixtrans-52.4-31.7-178.5-169.4176.3113.700112.5P225 L230 S231P225-E227 PolarHBondContact O-N 2.97Å; E227-L230 PolarHBondContact O-N 3.04Å; E227-S231 WeakPolarHBondContact O-CB 3.38Å; E227-S231 PolarHBondContact O-N 3.47Å; E227-S231 PolarHBondContact O-OG 3Å
228E52.5Low53.8Low139 Ų139112.7 Ų112.765%0.6562%0.622SS**Hα-helixtrans-63.1-38.2171.9-166.8177.7100.200114.1S226 R232S226-E228 PolarHBondContact O-N 3.08Å; E228-R232 WeakPolarHBondContact O-CB 3.43Å; E228-R232 WeakPolarHBondContact O-CG 3.39Å; E228-R232 PolarHBondContact O-N 2.97Å
229R61.1Low54.6Low159 Ų159111 Ų11160%0.661%0.614SS**Hα-helixtrans-70.2-39.1173.5-68.6-172.166.3179.8-0.5111.7P225 S226 A233P225-R229 HydrophobicContact CB-CB 4.42Å; S226-R229 WeakPolarHBondContact O-CA 3.36Å; S226-R229 WeakPolarHBondContact O-CB 3.45Å; S226-R229 PolarHBondContact O-N 2.9Å; R229-A233 WeakPolarHBondContact O-CB 3.42Å; R229-A233 PolarHBondContact O-N 2.9Å
230L57Low55.2Low85 Ų85108.8 Ų108.845%0.44561%0.606SS.*Hα-helixtrans-64.7-43.9174.5-66.6174.8000110.8P225 S226 E227 A233 L234P225-L230 HydrophobicContact CB-CD2 4.1Å; P225-L230 HydrophobicContact CB-CG 4.21Å; P225-L230 HydrophobicContact CG-CD2 4.44Å; S226-L230 PolarHBondContact O-N 3.41Å; S226-L230 VanDerWaalsContact O-N 3.15Å; E227-L230 PolarHBondContact O-N 3.04Å; L230-A233 PolarHBondContact O-N 3.49Å; L230-L234 WeakPolarHBondContact O-CB 3.42Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.13Å; L230-L234 PolarHBondContact O-N 3.08Å
231S55.5Low55.8Low26 Ų26111.7 Ų111.718%0.18261%0.607CS.*Hα-helixtrans-61.2-45.4176.9-63.30000112.1E227 L234 G235 V236E227-S231 WeakPolarHBondContact O-CB 3.38Å; E227-S231 PolarHBondContact O-N 3.47Å; E227-S231 PolarHBondContact O-OG 3Å; S231-L234 PolarHBondContact O-N 3.36Å; S231-G235 PolarHBondContact O-N 2.97Å; S231-G235 VanDerWaalsContact O-N 3.11Å; S231-V236 PolarHBondContact O-N 3.48Å; S231-V236 VanDerWaalsContact O-N 3.16Å
232R57.5Low56.1Low204 Ų204110.6 Ų110.677%0.7759%0.594SS**Hα-helixtrans-62-41.4173.6-78.3-175.8176.8-154.82.2113.1E228 G235E228-R232 WeakPolarHBondContact O-CB 3.43Å; E228-R232 WeakPolarHBondContact O-CG 3.39Å; E228-R232 PolarHBondContact O-N 2.97Å; R232-G235 PolarHBondContact O-N 2.94Å
233A56.1Low56.7Low88 Ų88103 Ų10373%0.72758%0.578SS**Hα-helixtrans-70-31.8179.700000113.1R229 L230R229-A233 WeakPolarHBondContact O-CB 3.42Å; R229-A233 PolarHBondContact O-N 2.9Å; L230-A233 PolarHBondContact O-N 3.49Å
234L57.1Low57Low134 Ų134102.5 Ų102.570%0.70257%0.572SS**Hα-helixtrans-86.9-4.9177.7-66.4170.3000113.5L230 S231 V236L230-L234 WeakPolarHBondContact O-CB 3.42Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.13Å; L230-L234 PolarHBondContact O-N 3.08Å; S231-L234 PolarHBondContact O-N 3.36Å; L234-V236 HydrophobicContact CB-CG2 4.06Å; L234-V236 PolarHBondContact O-N 3.25Å
235G57.3Low57.1Low70 Ų70101 Ų10172%0.72256%0.557SS**THydrogen-bonded Turntrans67.410.9-176.700000114.4S231 R232S231-G235 PolarHBondContact O-N 2.97Å; S231-G235 VanDerWaalsContact O-N 3.11Å; R232-G235 PolarHBondContact O-N 2.94Å
236V60.3Low57.7Low93 Ų93105 Ų10556%0.56457%0.571SS**  trans-87.8122.7-178.9-178.60000108.6S231 L234 G238S231-V236 PolarHBondContact O-N 3.48Å; S231-V236 VanDerWaalsContact O-N 3.16Å; L234-V236 HydrophobicContact CB-CG2 4.06Å; L234-V236 PolarHBondContact O-N 3.25Å; V236-G238 PolarHBondContact O-N 3.37Å; V236-G238 VanDerWaalsContact O-N 3.08Å
237R55.1Low57.6Low154 Ų154105.1 Ų105.158%0.58158%0.577SS**  trans-57.9114.8169.4-91.7-174.8173.1-176.7-0.2108.5E245R237-E245 IonicContact CZ-OE1 2.68Å; R237-E245 IonicContact CZ-OE2 3.02Å; R237-E245 IonicContact NH1-OE1 3.88Å; R237-E245 PolarHBondContact NH1-OE1 2.92Å; R237-E245 IonicContact NH1-OE2 2.82Å; R237-E245 PolarHBondContact NH1-OE2 2.84Å; R237-E245 IonicContact NH2-OE1 3.1Å
238G55.5Low57.7Low22 Ų22101.5 Ų101.523%0.22757%0.574CS.*  trans-61148.1179.700000112V236 A240 Q241 L242V236-G238 PolarHBondContact O-N 3.37Å; V236-G238 VanDerWaalsContact O-N 3.08Å; G238-A240 PolarHBondContact O-N 3.03Å; G238-A240 VanDerWaalsContact O-N 3.08Å; G238-Q241 PolarHBondContact O-N 3.42Å; G238-L242 PolarHBondContact O-N 2.9Å
239A57.5Low58Low74 Ų7497.7 Ų97.761%0.61257%0.572SS**Hα-helixtrans-56.5-30.5-173.500000113.7Q241 L242 A243A239-Q241 VanDerWaalsContact C-N 3.32Å; A239-Q241 PolarHBondContact O-N 3.45Å; A239-L242 PolarHBondContact O-N 2.72Å; A239-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 PolarHBondContact O-N 2.95Å
240A57.7Low58Low74 Ų74101.1 Ų101.161%0.61258%0.584SS**Hα-helixtrans-60.7-36.5174.100000113.3G238 A243 Q244G238-A240 PolarHBondContact O-N 3.03Å; G238-A240 VanDerWaalsContact O-N 3.08Å; A240-A243 PolarHBondContact O-N 3.27Å; A240-Q244 WeakPolarHBondContact O-CG 3.34Å; A240-Q244 PolarHBondContact O-N 3.1Å
241Q58.2Low58Low107 Ų107108.2 Ų108.250%0.561%0.606SS.*Hα-helixtrans-77.2-35.3179.4-166.9164.41.400111.5G238 A239 A243 Q244 E245G238-Q241 PolarHBondContact O-N 3.42Å; A239-Q241 VanDerWaalsContact C-N 3.32Å; A239-Q241 PolarHBondContact O-N 3.45Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; Q241-Q244 PolarHBondContact O-N 2.93Å; Q241-E245 WeakPolarHBondContact O-CB 3.42Å; Q241-E245 PolarHBondContact O-N 3.47Å
242L57.1Low58.1Low103 Ų103117.7 Ų117.754%0.53964%0.637SS.*Hα-helixtrans-62.3-40.3169.5-176.168.1000111.3G238 A239 E245 M246G238-L242 PolarHBondContact O-N 2.9Å; A239-L242 PolarHBondContact O-N 2.72Å; L242-E245 PolarHBondContact O-N 2.88Å; L242-M246 WeakPolarHBondContact O-CB 3.45Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 3.37Å
243A60.3Low57.6Low61 Ų61120.7 Ų120.750%0.50466%0.659SS.*Hα-helixtrans-65.7-40.6176.200000112.6A239 A240 Q241 A247A239-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 PolarHBondContact O-N 2.95Å; A240-A243 PolarHBondContact O-N 3.27Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.4Å
244Q59.1Low57.7Low141 Ų141122.4 Ų122.466%0.65966%0.656SS**Hα-helixtrans-65.9-39.8174.3-75.5176.9-10.700112.5A240 Q241 A247 A248A240-Q244 WeakPolarHBondContact O-CG 3.34Å; A240-Q244 PolarHBondContact O-N 3.1Å; Q241-Q244 PolarHBondContact O-N 2.93Å; Q244-A247 PolarHBondContact O-N 3.06Å; Q244-A248 WeakPolarHBondContact O-CB 3.35Å; Q244-A248 PolarHBondContact O-N 3.23Å
245E56.8Low57.8Low97 Ų97121.7 Ų121.745%0.45365%0.654SS.*Hα-helixtrans-66.1-42.7176.6-165.7166.3-150.300111.4R237 Q241 L242 A247 A248 G249R237-E245 IonicContact CZ-OE1 2.68Å; R237-E245 IonicContact CZ-OE2 3.02Å; R237-E245 IonicContact NH1-OE1 3.88Å; R237-E245 PolarHBondContact NH1-OE1 2.92Å; R237-E245 IonicContact NH1-OE2 2.82Å; R237-E245 PolarHBondContact NH1-OE2 2.84Å; R237-E245 IonicContact NH2-OE1 3.1Å; Q241-E245 WeakPolarHBondContact O-CB 3.42Å; Q241-E245 PolarHBondContact O-N 3.47Å; L242-E245 PolarHBondContact O-N 2.88Å; E245-A247 PolarHBondContact O-N 2.92Å; E245-A248 PolarHBondContact O-N 3.44Å; E245-G249 PolarHBondContact O-N 3.03Å; E245-G249 VanDerWaalsContact O-N 3.08Å
246M60.4Low57.8Low144 Ų144124.6 Ų124.671%0.70965%0.65SS**Hα-helixtrans-64.1-36.7173.3-71.7-86.4-8000113L242L242-M246 WeakPolarHBondContact O-CB 3.45Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 3.37Å
247A59.3Low57.6Low77 Ų77126.5 Ų126.564%0.63666%0.655SS**Hα-helixtrans-70.6-37.8175.900000112.4A243 Q244 E245A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.4Å; Q244-A247 PolarHBondContact O-N 3.06Å; E245-A247 PolarHBondContact O-N 2.92Å
248A60.9Low57.8Low80 Ų80124.8 Ų124.866%0.66166%0.66SS**Hα-helixtrans-71.7-26.8177.300000113.3Q244 E245 R250Q244-A248 WeakPolarHBondContact O-CB 3.35Å; Q244-A248 PolarHBondContact O-N 3.23Å; E245-A248 PolarHBondContact O-N 3.44Å; A248-R250 VanDerWaalsContact C-N 3.28Å; A248-R250 PolarHBondContact O-N 3.01Å
249G58.3Low57.9Low58 Ų58131.6 Ų131.660%0.59869%0.688SS**THydrogen-bonded Turntrans-68.1-13.4-176.800000116.4E245 R251E245-G249 PolarHBondContact O-N 3.03Å; E245-G249 VanDerWaalsContact O-N 3.08Å; G249-R251 VanDerWaalsContact C-N 3.35Å; G249-R251 PolarHBondContact O-N 3.07Å
250R60.2Low58Low231 Ų231135.7 Ų135.787%0.87269%0.694SS**SBendtrans-89.329.9-173-97.7-174.9175.4-106.91.6115.8A248A248-R250 VanDerWaalsContact C-N 3.28Å; A248-R250 PolarHBondContact O-N 3.01Å
251R58.2Low58Low235 Ų235140.5 Ų140.589%0.88770%0.7SS**SBendtrans-137.246.1174.3-81.8-160.4-177.4-99.26.8115.2G249G249-R251 VanDerWaalsContact C-N 3.35Å; G249-R251 PolarHBondContact O-N 3.07Å
252R56.3Low58Low225 Ų225143.3 Ų143.385%0.84972%0.717SS**  trans-143136.9149.6-67.4-165-174.4-83.8-4.5110
253H48.9Very low58.1Low267 Ų267146.9 Ų146.9100%1.23673%0.733SS**  trans73.40-171-54.1-74.4000114

Retrieved 253 of 253 residues in 228.9 ms (Link to these results)