A0A087XV12_POEFO Loading...

Geminin coiled-coil domain containing

AlphaFold DB , UniProt , Accession A0A087XV12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low44.8Very low232 Ų232171.7 Ų171.7100%1.14387%0.873SS**  057.20-61.3-155.1-80.400107.3
2E45.1Very low44.7Very low184 Ų184173.8 Ų173.886%0.8688%0.876SS**  49.410968.1-68.7178.2175.200111.2
3T50.4Low44.6Very low127 Ų127169.3 Ų169.378%0.77986%0.856SS**  trans149.282.3139.4-50.80000110
4L46.8Very low44.9Very low183 Ų183164.3 Ų164.396%0.95884%0.841SS**SBendtrans-158.729.5155.8-79.8-166.8000111.8
5A43.9Very low45.1Very low96 Ų96160.1 Ų160.179%0.79383%0.826SS**SBendtrans-119.816.9-177.300000113.9
6S45.6Very low45.3Very low112 Ų112156.3 Ų156.378%0.78381%0.812SS**  trans-118.722.7-172.2-56.30000114.6
7M39.4Very low45.3Very low168 Ų168155.2 Ų155.283%0.82881%0.807SS**SBendtrans-105.83.4-178.3-148.7170.85500114.1
8W49.5Very low45.5Very low242 Ų242151.6 Ų151.692%0.91780%0.796SS**SBendtrans-125.421.5-177.6-70.491.2000113.7
9E42.9Very low45.6Very low176 Ų176149.9 Ų149.982%0.82279%0.787SS**SBendtrans-121.137179.6-80.9-146.5152.700113.7
10H46.1Very low46Very low191 Ų191148.7 Ų148.788%0.88478%0.781SS**SBendtrans-142.334.2177.2-119.769000116.6
11E43Very low46.4Very low178 Ų178145.9 Ų145.983%0.83277%0.767SS**  trans-148.658.4172.5-151.6175.1-179.100113.4
12H44Very low47.2Very low197 Ų197141.3 Ų141.391%0.91274%0.743SS**  trans-145.273.6159.5-78.2-55.4000109.2P14H12-P14 WeakPolarHBondContact O-CD 3.34Å
13D42.8Very low47.8Very low115 Ų115135.7 Ų135.762%0.61572%0.724SS**  trans-89.3111.8166.9-162.7-1.7000108.8T15D13-T15 PolarHBondContact O-N 3.29Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å
14P49.3Very low48.2Very low99 Ų99138.4 Ų138.464%0.64372%0.719SS**THydrogen-bonded Turntrans-74.6-2.2-174.429.2-33.7000113.7H12H12-P14 WeakPolarHBondContact O-CD 3.34Å
15T48.2Very low48.7Very low102 Ų102133.5 Ų133.563%0.62669%0.694SS**THydrogen-bonded Turntrans-80.3-21.6-176.8-460000113.5D13 L17D13-T15 PolarHBondContact O-N 3.29Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.42Å
16V46.8Very low49.2Very low98 Ų98135.7 Ų135.759%0.59469%0.69SS**THydrogen-bonded Turntrans-82.7-11.2-177.7-170.50000112.9
17L45.4Very low49.6Very low139 Ų139136 Ų13673%0.72868%0.682SS**Hα-helixtrans-84.2-18.5-176.7-128.5125.5000113.6T15T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.42Å
18C49.4Very low50.3Low90 Ų90130.4 Ų130.461%0.60866%0.66SS**Hα-helixtrans-76.3-37.8-179.4-66.20000112.9L20 D21C18-L20 VanDerWaalsContact C-N 3.32Å; C18-L20 PolarHBondContact O-N 3.01Å; C18-D21 PolarHBondContact O-N 3.41Å
19D47.1Very low50.6Low119 Ų119122 Ų12264%0.63664%0.638SS**Hα-helixtrans-72.2-24.9-178.3-78.2-19.1000113.2S23D19-S23 PolarHBondContact O-N 3.03Å
20L53.3Low50.9Low125 Ų125119.9 Ų119.965%0.65463%0.631SS**Hα-helixtrans-72.7-29.1177.5-100.9149.1000112.6C18 R24C18-L20 VanDerWaalsContact C-N 3.32Å; C18-L20 PolarHBondContact O-N 3.01Å; L20-R24 WeakPolarHBondContact O-CB 3.39Å; L20-R24 PolarHBondContact O-N 2.98Å
21D55.4Low51.3Low91 Ų91117.9 Ų117.949%0.48762%0.616SS.*Hα-helixtrans-74.4-39.1177-163.565.8000111.4C18 R24 N25C18-D21 PolarHBondContact O-N 3.41Å; D21-R24 WeakPolarHBondContact O-CB 3.4Å; D21-R24 PolarHBondContact O-N 3.33Å; D21-N25 VanDerWaalsContact O-CG 3.29Å; D21-N25 PolarHBondContact O-N 2.78Å; D21-N25 PolarHBondContact O-ND2 3.43Å; D21-N25 VanDerWaalsContact O-ND2 3.11Å; D21-N25 PolarHBondContact OD2-ND2 3.49Å; D21-N25 VanDerWaalsContact OD2-ND2 3.14Å
22E56.5Low51.6Low136 Ų136115.4 Ų115.464%0.63661%0.605SS**Hα-helixtrans-67.2-40.3177.1-122.7176.1162.500112.3R24 N25 M26E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 2.98Å; E22-N25 PolarHBondContact O-N 2.97Å; E22-M26 PolarHBondContact O-N 3.31Å
23S58.7Low52Low66 Ų66111 Ų11146%0.46260%0.596SS.*Hα-helixtrans-63.4-34.1172.6-178.50000112.2D19 L27D19-S23 PolarHBondContact O-N 3.03Å; S23-L27 VanDerWaalsContact O-CD1 3.23Å; S23-L27 WeakPolarHBondContact O-CD1 3.31Å; S23-L27 PolarHBondContact O-N 2.87Å
24R57.9Low52.2Low183 Ų183114.4 Ų114.469%0.69161%0.605SS**Hα-helixtrans-71-38.6177.2-157.8179.2-167.1-176.83.9111.3L20 D21 E22 S28L20-R24 WeakPolarHBondContact O-CB 3.39Å; L20-R24 PolarHBondContact O-N 2.98Å; D21-R24 WeakPolarHBondContact O-CB 3.4Å; D21-R24 PolarHBondContact O-N 3.33Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 2.98Å; R24-S28 VanDerWaalsContact O-CB 3.32Å; R24-S28 WeakPolarHBondContact O-CB 3.25Å; R24-S28 PolarHBondContact O-N 3.15Å
25N56.8Low52.1Low81 Ų81113.8 Ų113.843%0.43360%0.602SS.*Hα-helixtrans-70.9-33.5177.8-69.9-33.1000112.9D21 E22 S28 S29D21-N25 VanDerWaalsContact O-CG 3.29Å; D21-N25 PolarHBondContact O-N 2.78Å; D21-N25 PolarHBondContact O-ND2 3.43Å; D21-N25 VanDerWaalsContact O-ND2 3.11Å; D21-N25 PolarHBondContact OD2-ND2 3.49Å; D21-N25 VanDerWaalsContact OD2-ND2 3.14Å; E22-N25 PolarHBondContact O-N 2.97Å; N25-S28 WeakPolarHBondContact O-CB 3.33Å; N25-S28 PolarHBondContact O-N 3.35Å; N25-S29 WeakPolarHBondContact O-CB 3.46Å; N25-S29 PolarHBondContact O-N 2.96Å; N25-S29 PolarHBondContact O-OG 3.31Å
26M54.7Low52.5Low142 Ų142112.2 Ų112.270%0.760%0.599SS**Hα-helixtrans-68.9-43.6172.5-86.2-78.1165.300112.8E22 S28 S29 L30E22-M26 PolarHBondContact O-N 3.31Å; M26-S28 VanDerWaalsContact C-N 3.29Å; M26-S28 PolarHBondContact O-N 2.97Å; M26-S29 PolarHBondContact O-N 3.43Å; M26-L30 PolarHBondContact O-N 3.1Å; M26-L30 VanDerWaalsContact O-N 3.13Å
27L55.3Low52.8Low118 Ų118116.9 Ų116.962%0.61861%0.612SS**Hα-helixtrans-65.5-34171.4-90.9108.7000111.8S23 L30 W31S23-L27 VanDerWaalsContact O-CD1 3.23Å; S23-L27 WeakPolarHBondContact O-CD1 3.31Å; S23-L27 PolarHBondContact O-N 2.87Å; L27-L30 PolarHBondContact O-N 3.45Å; L27-W31 PolarHBondContact O-N 2.85Å
28S54.4Low53Low51 Ų51116.1 Ų116.136%0.35761%0.613SS.*Hα-helixtrans-63.9-38.1172.1-98.10000112.9R24 N25 M26 L30 W31 E32R24-S28 VanDerWaalsContact O-CB 3.32Å; R24-S28 WeakPolarHBondContact O-CB 3.25Å; R24-S28 PolarHBondContact O-N 3.15Å; N25-S28 WeakPolarHBondContact O-CB 3.33Å; N25-S28 PolarHBondContact O-N 3.35Å; M26-S28 VanDerWaalsContact C-N 3.29Å; M26-S28 PolarHBondContact O-N 2.97Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.4Å; S28-W31 PolarHBondContact O-NE1 3.1Å; S28-E32 PolarHBondContact O-N 2.93Å
29S55.4Low53.2Low66 Ų66117.7 Ų117.746%0.46262%0.622SS.*Hα-helixtrans-73.7-28.7178.8-58.20000112.2N25 M26 S33N25-S29 WeakPolarHBondContact O-CB 3.46Å; N25-S29 PolarHBondContact O-N 2.96Å; N25-S29 PolarHBondContact O-OG 3.31Å; M26-S29 PolarHBondContact O-N 3.43Å; S29-S33 WeakPolarHBondContact O-CB 3.45Å; S29-S33 PolarHBondContact O-N 3.44Å; S29-S33 VanDerWaalsContact O-N 3.12Å; S29-S33 PolarHBondContact O-OG 2.84Å
30L49.2Very low53.7Low130 Ų130115.9 Ų115.968%0.68162%0.619SS**Hα-helixtrans-76.4-37-179.9-16080.8000113M26 L27 S28 K34M26-L30 PolarHBondContact O-N 3.1Å; M26-L30 VanDerWaalsContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 3.45Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.4Å; L30-K34 PolarHBondContact O-N 3.21Å
31W54Low54Low149 Ų149112.7 Ų112.756%0.56461%0.611SS**Hα-helixtrans-71.9-37.3173.882.7-72.8000111.5L27 S28 K34 C35L27-W31 PolarHBondContact O-N 2.85Å; S28-W31 PolarHBondContact O-NE1 3.1Å; W31-K34 PolarHBondContact O-N 3.03Å; W31-C35 PolarHBondContact O-N 3.35Å; W31-C35 PolarHBondContact O-SG 3.22Å
32E48.9Very low54.2Low127 Ų127110.8 Ų110.859%0.59361%0.613SS**Hα-helixtrans-65.8-40.6176.8-82.9-179.8163.500112.3S28 K34 C35S28-E32 PolarHBondContact O-N 2.93Å; E32-K34 PolarHBondContact O-N 2.96Å; E32-C35 PolarHBondContact O-N 3.17Å
33S52.4Low54.7Low103 Ų103110.6 Ų110.672%0.7262%0.615SS**Hα-helixtrans-67.9-20.5177.1-73.70000114.1S29S29-S33 WeakPolarHBondContact O-CB 3.45Å; S29-S33 PolarHBondContact O-N 3.44Å; S29-S33 VanDerWaalsContact O-N 3.12Å; S29-S33 PolarHBondContact O-OG 2.84Å
34K46.4Very low54.8Low188 Ų188113 Ų11382%0.81762%0.62SS**Hα-helixtrans-92-6.4177.3-161.3168.9-180176.60113.2L30 W31 E32L30-K34 PolarHBondContact O-N 3.21Å; W31-K34 PolarHBondContact O-N 3.03Å; E32-K34 PolarHBondContact O-N 2.96Å
35C48.6Very low55Low85 Ų85111.5 Ų111.557%0.57462%0.615SS**  trans-92.211.9-179.1-70.90000114.3W31 E32 F37W31-C35 PolarHBondContact O-N 3.35Å; W31-C35 PolarHBondContact O-SG 3.22Å; E32-C35 PolarHBondContact O-N 3.17Å; C35-F37 PolarHBondContact O-N 3.35Å
36A55.4Low55.8Low69 Ų69111.8 Ų111.857%0.5762%0.62SS**SBendtrans-82.1113.7165.700000108.8
37F54.2Low57Low196 Ų196111.9 Ų111.986%0.8662%0.619SS**SBendtrans87.861.4171.5-53.8-83.1000118.5C35C35-F37 PolarHBondContact O-N 3.35Å
38T48.3Very low58.2Low124 Ų124111.9 Ų111.976%0.76162%0.616SS**  trans-138.8108.4135.547.60000109.8
39P54.4Low59.6Low122 Ų122113.5 Ų113.579%0.79262%0.62SS**  trans-71.1145.5171.4-10.626.5000110.6
40S58.1Low61.2Low81 Ų81113.4 Ų113.457%0.56662%0.619SS**SBendtrans91.8-26.7154-162.20000120M44S40-M44 WeakPolarHBondContact O-CG 3.33Å
41A58.1Low63.3Low59 Ų59110.9 Ų110.949%0.48861%0.611SS.*Hα-helixtrans-75.7-51.5178.100000113L43 M44 W45A41-L43 PolarHBondContact O-N 3.04Å; A41-M44 PolarHBondContact O-N 2.89Å; A41-W45 PolarHBondContact O-N 3.41Å
42G61.6Low65.1Low51 Ų51109.6 Ų109.653%0.52661%0.611SS.*Hα-helixtrans-63.2-36.4-174.200000114.7T46G42-T46 PolarHBondContact O-N 3.28Å; G42-T46 PolarHBondContact O-OG1 2.92Å
43L65.7Low67.3Low131 Ų131109.4 Ų109.469%0.68661%0.613SS**Hα-helixtrans-70.3-31.5176.7-74.9162.1000112.6A41 T46 Q47A41-L43 PolarHBondContact O-N 3.04Å; L43-T46 WeakPolarHBondContact CA-OG1 3.22Å; L43-T46 PolarHBondContact O-OG1 3.43Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 PolarHBondContact O-N 3.14Å; L43-Q47 VanDerWaalsContact O-N 3.13Å
44M62.1Low69.3Low116 Ų116111 Ų11157%0.57161%0.609SS**Hα-helixtrans-71.4-39.4176.5-71.7-66.6-64.700111.5S40 A41 Q47 Q48S40-M44 WeakPolarHBondContact O-CG 3.33Å; A41-M44 PolarHBondContact O-N 2.89Å; M44-Q47 PolarHBondContact O-N 3.11Å; M44-Q48 WeakPolarHBondContact O-CB 3.35Å; M44-Q48 PolarHBondContact O-N 2.87Å
45W60.5Low71.7Confident152 Ų152110 Ų11058%0.57660%0.6SS**Hα-helixtrans-66.9-41.3176.2-73104.7000112.7A41 Q47 Q48 L49A41-W45 PolarHBondContact O-N 3.41Å; W45-Q47 VanDerWaalsContact C-N 3.34Å; W45-Q48 PolarHBondContact O-N 3.09Å; W45-L49 VanDerWaalsContact O-CB 3.31Å; W45-L49 WeakPolarHBondContact O-CB 3.45Å; W45-L49 VanDerWaalsContact O-CG 3.24Å; W45-L49 WeakPolarHBondContact O-CG 3.47Å; W45-L49 PolarHBondContact O-N 3.11Å
46T74.4Confident74Confident88 Ų88109.9 Ų109.954%0.5459%0.594SS.*Hα-helixtrans-66.1-37.8176.151.70000111.7G42 L43 S50G42-T46 PolarHBondContact O-N 3.28Å; G42-T46 PolarHBondContact O-OG1 2.92Å; L43-T46 WeakPolarHBondContact CA-OG1 3.22Å; L43-T46 PolarHBondContact O-OG1 3.43Å; T46-S50 WeakPolarHBondContact O-CB 3.25Å; T46-S50 PolarHBondContact O-N 3.37Å
47Q78.9Confident76Confident144 Ų144113 Ų11367%0.67359%0.594SS**Hα-helixtrans-70.3-33.7175.7-166158.512.700112.8L43 M44 W45 P51L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 PolarHBondContact O-N 3.14Å; L43-Q47 VanDerWaalsContact O-N 3.13Å; M44-Q47 PolarHBondContact O-N 3.11Å; W45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-P51 VanDerWaalsContact O-CD 3.22Å; Q47-P51 WeakPolarHBondContact O-CD 3.47Å
48Q81.8Confident78.1Confident118 Ų118110 Ų11055%0.55158%0.583SS**Hα-helixtrans-73.5-36.8174.9-172.8-176.3-36.500112.7M44 W45 P51 H52M44-Q48 WeakPolarHBondContact O-CB 3.35Å; M44-Q48 PolarHBondContact O-N 2.87Å; W45-Q48 PolarHBondContact O-N 3.09Å; Q48-P51 WeakPolarHBondContact O-CD 3.47Å; Q48-H52 PolarHBondContact O-CD2 3.29Å
49L82.6Confident80.5Confident85 Ų85108.7 Ų108.745%0.44557%0.571SS.*Hα-helixtrans-82.7-23.4179.8-68.4169.8000113W45 H52 L53W45-L49 VanDerWaalsContact O-CB 3.31Å; W45-L49 WeakPolarHBondContact O-CB 3.45Å; W45-L49 VanDerWaalsContact O-CG 3.24Å; W45-L49 WeakPolarHBondContact O-CG 3.47Å; W45-L49 PolarHBondContact O-N 3.11Å; L49-H52 CarbonylContact O-C 3.45Å; L49-H52 WeakPolarHBondContact O-CA 3.48Å; L49-H52 WeakPolarHBondContact O-CB 3.38Å; L49-H52 PolarHBondContact O-N 2.86Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.9Å
50S90.4Very high82.6Confident63 Ų63108.4 Ų108.444%0.44156%0.559SS.*Hα-helixtrans-52.7-47.5-179.1170.90000113.6T46 H52 L53 Q54T46-S50 WeakPolarHBondContact O-CB 3.25Å; T46-S50 PolarHBondContact O-N 3.37Å; S50-H52 VanDerWaalsContact C-N 3.31Å; S50-H52 PolarHBondContact O-N 3.03Å; S50-L53 PolarHBondContact O-N 2.75Å; S50-Q54 WeakPolarHBondContact O-CB 3.47Å; S50-Q54 PolarHBondContact O-N 2.9Å
51P91.7Very high84.5Confident78 Ų78109 Ų10951%0.50656%0.556SS.*Hα-helixtrans-61.3-36.7174.2-23.333.1000113.4Q47 Q48 R55Q47-P51 VanDerWaalsContact O-CD 3.22Å; Q47-P51 WeakPolarHBondContact O-CD 3.47Å; Q48-P51 WeakPolarHBondContact O-CD 3.47Å; P51-R55 WeakPolarHBondContact O-CB 3.42Å; P51-R55 PolarHBondContact O-N 3.09Å
52H93.2Very high86.4Confident122 Ų122108.1 Ų108.157%0.56555%0.549SS*.Hα-helixtrans-70.8-40.2178.5-70.2-75.3000112Q48 L49 S50 R55 N56Q48-H52 PolarHBondContact O-CD2 3.29Å; L49-H52 CarbonylContact O-C 3.45Å; L49-H52 WeakPolarHBondContact O-CA 3.48Å; L49-H52 WeakPolarHBondContact O-CB 3.38Å; L49-H52 PolarHBondContact O-N 2.86Å; S50-H52 VanDerWaalsContact C-N 3.31Å; S50-H52 PolarHBondContact O-N 3.03Å; H52-R55 PolarHBondContact O-N 3.01Å; H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 2.95Å
53L94.8Very high88.2Confident122 Ų122110.4 Ų110.464%0.63955%0.548SS*.Hα-helixtrans-65.4-42.8174.9-69.2173.1000111.2L49 S50 N56 K57L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.9Å; S50-L53 PolarHBondContact O-N 2.75Å; L53-N56 PolarHBondContact O-N 3.18Å; L53-K57 PolarHBondContact O-N 3.38Å
54Q94.6Very high89.7Confident138 Ų138109.4 Ų109.465%0.64554%0.543SS*.Hα-helixtrans-63-43.9175.4-176.4177.3-26.900111.5S50 N56 K57 Q58S50-Q54 WeakPolarHBondContact O-CB 3.47Å; S50-Q54 PolarHBondContact O-N 2.9Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.92Å; Q54-K57 PolarHBondContact O-N 2.93Å; Q54-Q58 PolarHBondContact O-N 3.41Å
55R96.5Very high91.5Very high166 Ų166110.3 Ų110.363%0.62655%0.546SS*.Hα-helixtrans-60.8-42.6173.4-173.3-171.9-177.298.80.2111.3P51 H52 Q58 L59P51-R55 WeakPolarHBondContact O-CB 3.42Å; P51-R55 PolarHBondContact O-N 3.09Å; H52-R55 PolarHBondContact O-N 3.01Å; R55-Q58 PolarHBondContact O-N 2.75Å; R55-L59 HydrophobicContact CG-CD1 4.27Å; R55-L59 VanDerWaalsContact O-CG 3.32Å; R55-L59 WeakPolarHBondContact O-CG 3.37Å; R55-L59 PolarHBondContact O-N 3.32Å
56N97.4Very high93.3Very high83 Ų83109.6 Ų109.644%0.44454%0.543SS..Hα-helixtrans-62.9-43.6179.2-165.4-85.4000111.2H52 L53 Q54 Q58 L59 Q60H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 2.95Å; L53-N56 PolarHBondContact O-N 3.18Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.92Å; N56-Q58 PolarHBondContact O-N 3.4Å; N56-L59 WeakPolarHBondContact O-CB 3.44Å; N56-L59 PolarHBondContact O-N 2.94Å; N56-L59 VanDerWaalsContact O-N 3.17Å; N56-Q60 WeakPolarHBondContact O-CG 3.49Å; N56-Q60 PolarHBondContact O-N 2.83Å; N56-Q60 PolarHBondContact OD1-NE2 3.4Å
57K97.1Very high94.4Very high133 Ų133110.8 Ų110.858%0.57854%0.543SS*.Hα-helixtrans-58.3-47.4173-176.5179.1178-179.10111.8L53 Q54 L59 Q60 D61L53-K57 PolarHBondContact O-N 3.38Å; Q54-K57 PolarHBondContact O-N 2.93Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.37Å; K57-Q60 WeakPolarHBondContact O-CB 3.4Å; K57-Q60 PolarHBondContact O-N 3.29Å; K57-Q60 VanDerWaalsContact O-N 3.1Å; K57-D61 PolarHBondContact O-N 3.48Å
58Q98.2Very high95.3Very high133 Ų133110.8 Ų110.862%0.62154%0.543SS*.Hα-helixtrans-60.2-37.7177-173.3-179.8900112.2Q54 R55 N56 A62Q54-Q58 PolarHBondContact O-N 3.41Å; R55-Q58 PolarHBondContact O-N 2.75Å; N56-Q58 PolarHBondContact O-N 3.4Å; Q58-A62 VanDerWaalsContact O-CB 3.29Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 2.83Å
59L98.6Very high96.1Very high97 Ų97109 Ų10951%0.50853%0.534SS..Hα-helixtrans-69-37175.4-71.3172.3000112.2R55 N56 K57 A62 L63R55-L59 HydrophobicContact CG-CD1 4.27Å; R55-L59 VanDerWaalsContact O-CG 3.32Å; R55-L59 WeakPolarHBondContact O-CG 3.37Å; R55-L59 PolarHBondContact O-N 3.32Å; N56-L59 WeakPolarHBondContact O-CB 3.44Å; N56-L59 PolarHBondContact O-N 2.94Å; N56-L59 VanDerWaalsContact O-N 3.17Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 3.37Å; L59-A62 PolarHBondContact O-N 2.93Å; L59-L63 WeakPolarHBondContact O-CB 3.28Å; L59-L63 PolarHBondContact O-N 3.19Å
60Q98.1Very high96.8Very high116 Ų116109.6 Ų109.654%0.54254%0.537SS..Hα-helixtrans-63.7-46.8173.8-71.4174.58.600111N56 K57 A62 L63 L64N56-Q60 WeakPolarHBondContact O-CG 3.49Å; N56-Q60 PolarHBondContact O-N 2.83Å; N56-Q60 PolarHBondContact OD1-NE2 3.4Å; K57-Q60 WeakPolarHBondContact O-CB 3.4Å; K57-Q60 PolarHBondContact O-N 3.29Å; K57-Q60 VanDerWaalsContact O-N 3.1Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 2.88Å; Q60-L63 PolarHBondContact O-N 2.83Å; Q60-L64 WeakPolarHBondContact O-CB 3.47Å; Q60-L64 PolarHBondContact O-N 3.08Å
61D98.2Very high97.2Very high93 Ų93109.1 Ų109.150%0.49754%0.537SS..Hα-helixtrans-60.1-44.2176.5-64.7-23.4000110.6K57 L64 Q65K57-D61 PolarHBondContact O-N 3.48Å; D61-L64 PolarHBondContact O-N 3.31Å; D61-Q65 WeakPolarHBondContact O-CB 3.49Å; D61-Q65 PolarHBondContact O-N 2.88Å
62A98.4Very high97.6Very high42 Ų42110.8 Ų110.835%0.34753%0.534SS..Hα-helixtrans-66-38.917700000112.5Q58 L59 Q60 Q65 R66Q58-A62 VanDerWaalsContact O-CB 3.29Å; Q58-A62 WeakPolarHBondContact O-CB 3.31Å; Q58-A62 PolarHBondContact O-N 2.83Å; L59-A62 PolarHBondContact O-N 2.93Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 2.88Å; A62-Q65 PolarHBondContact O-N 3.45Å; A62-R66 VanDerWaalsContact O-CG 3.24Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 2.81Å
63L98.6Very high97.8Very high98 Ų98109.2 Ų109.251%0.51353%0.529SS..Hα-helixtrans-64.8-47.6177.3-176.7152.2000110.2L59 Q60 Q65 R66 E67L59-L63 WeakPolarHBondContact O-CB 3.28Å; L59-L63 PolarHBondContact O-N 3.19Å; Q60-L63 PolarHBondContact O-N 2.83Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-Q65 PolarHBondContact O-N 2.95Å; L63-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CA 3.32Å; L63-R66 WeakPolarHBondContact O-CB 3.31Å; L63-R66 PolarHBondContact O-N 2.75Å; L63-E67 VanDerWaalsContact CD2-CD 3.47Å; L63-E67 HydrophobicContact CD2-CG 4.02Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.34Å; L63-E67 WeakPolarHBondContact O-CG 3.45Å; L63-E67 PolarHBondContact O-N 2.97Å
64L98.4Very high98Very high111 Ų111109.2 Ų109.258%0.58153%0.526SS*.Hα-helixtrans-58.1-43.3176.6-176.666000111.5Q60 D61 R66 E67 E68Q60-L64 WeakPolarHBondContact O-CB 3.47Å; Q60-L64 PolarHBondContact O-N 3.08Å; D61-L64 PolarHBondContact O-N 3.31Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.42Å; L64-E67 WeakPolarHBondContact O-CB 3.45Å; L64-E67 PolarHBondContact O-N 3.34Å; L64-E68 PolarHBondContact O-N 2.97Å
65Q98.6Very high98.2Very high135 Ų135109.5 Ų109.563%0.63153%0.527SS*.Hα-helixtrans-61.8-36.3175-171.4-175.6-25.200112.3D61 A62 L63 E69D61-Q65 WeakPolarHBondContact O-CB 3.49Å; D61-Q65 PolarHBondContact O-N 2.88Å; A62-Q65 PolarHBondContact O-N 3.45Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-Q65 PolarHBondContact O-N 2.95Å; Q65-E69 PolarHBondContact O-N 3.42Å
66R98.2Very high98.2Very high137 Ų137105.7 Ų105.752%0.51752%0.516SS..Hα-helixtrans-72.1-33.3176.1-66.8-68.6168.283.7-1.4112.2A62 L63 L64 L70 Q262A62-R66 VanDerWaalsContact O-CG 3.24Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 2.81Å; L63-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CA 3.32Å; L63-R66 WeakPolarHBondContact O-CB 3.31Å; L63-R66 PolarHBondContact O-N 2.75Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.42Å; R66-L70 VanDerWaalsContact O-CB 3.23Å; R66-L70 WeakPolarHBondContact O-CB 3.4Å; R66-L70 PolarHBondContact O-N 3.43Å; R66-Q262 VanDerWaalsContact NH1-NE2 3.16Å; R66-Q262 VanDerWaalsContact NH2-NE2 3.14Å
67E97.9Very high98.3Very high112 Ų112105.7 Ų105.752%0.52352%0.516SS..Hα-helixtrans-64.4-42.1173.5-71.1179.5161.600111.6L63 L64 L70 A71L63-E67 VanDerWaalsContact CD2-CD 3.47Å; L63-E67 HydrophobicContact CD2-CG 4.02Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.34Å; L63-E67 WeakPolarHBondContact O-CG 3.45Å; L63-E67 PolarHBondContact O-N 2.97Å; L64-E67 WeakPolarHBondContact O-CB 3.45Å; L64-E67 PolarHBondContact O-N 3.34Å; E67-L70 PolarHBondContact O-N 3.49Å; E67-A71 PolarHBondContact O-N 3.5Å
68E98.2Very high98.3Very high145 Ų145103.2 Ų103.268%0.67852%0.515SS*.Hα-helixtrans-62-47.6175.3-175.1-178.917700111.9L64 L70 A71 R72L64-E68 PolarHBondContact O-N 2.97Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.23Å; E68-A71 WeakPolarHBondContact O-CB 3.37Å; E68-A71 PolarHBondContact O-N 3.05Å; E68-R72 PolarHBondContact O-N 3.08Å
69E98Very high98.3Very high79 Ų79103.3 Ų103.337%0.36951%0.514SS..Hα-helixtrans-63.7-37177.7-178.962.6-176.200111.7Q65 R72 L73Q65-E69 PolarHBondContact O-N 3.42Å; E69-R72 PolarHBondContact O-N 3.47Å; E69-R72 IonicContact OE1-CZ 3.93Å; E69-R72 IonicContact OE1-NE 3.57Å; E69-R72 IonicContact OE1-NH2 2.72Å; E69-R72 PolarHBondContact OE1-NH2 2.89Å; E69-R72 IonicContact OE2-CZ 3.03Å; E69-R72 IonicContact OE2-NE 3.52Å; E69-R72 PolarHBondContact OE2-NE 3.4Å; E69-R72 IonicContact OE2-NH2 3.37Å; E69-R72 PolarHBondContact OE2-NH2 3.37Å; E69-L73 HydrophobicContact CG-CD1 4.27Å; E69-L73 WeakPolarHBondContact O-CB 3.15Å; E69-L73 WeakPolarHBondContact O-CG 3.32Å; E69-L73 PolarHBondContact O-N 3.44Å
70L98.6Very high98.2Very high98 Ų98103.8 Ų103.851%0.51352%0.517SS..Hα-helixtrans-64.8-40.4175.3-174.4136.1000111.4R66 E67 E68 L73 Q74R66-L70 VanDerWaalsContact O-CB 3.23Å; R66-L70 WeakPolarHBondContact O-CB 3.4Å; R66-L70 PolarHBondContact O-N 3.43Å; E67-L70 PolarHBondContact O-N 3.49Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.23Å; L70-L73 PolarHBondContact O-N 3.29Å; L70-Q74 HydrophobicContact CD2-CG 4.31Å; L70-Q74 VanDerWaalsContact CD2-NE2 3.27Å; L70-Q74 WeakPolarHBondContact O-CB 3.45Å; L70-Q74 VanDerWaalsContact O-CG 3.23Å; L70-Q74 WeakPolarHBondContact O-CG 3.49Å; L70-Q74 PolarHBondContact O-N 2.88Å
71A98.3Very high98.2Very high53 Ų53106.5 Ų106.544%0.43852%0.522SS..Hα-helixtrans-62.2-43.917400000111.7E67 E68 L73 Q74 E75E67-A71 PolarHBondContact O-N 3.5Å; E68-A71 WeakPolarHBondContact O-CB 3.37Å; E68-A71 PolarHBondContact O-N 3.05Å; A71-L73 PolarHBondContact O-N 3.46Å; A71-Q74 PolarHBondContact O-N 2.8Å; A71-E75 PolarHBondContact O-N 2.81Å
72R98.6Very high98.1Very high114 Ų114103.8 Ų103.843%0.4352%0.516SS..Hα-helixtrans-60-46.6175.7-169.1-179.175.892.6-0.9112E68 E69 Q74 E75 E76E68-R72 PolarHBondContact O-N 3.08Å; E69-R72 PolarHBondContact O-N 3.47Å; E69-R72 IonicContact OE1-CZ 3.93Å; E69-R72 IonicContact OE1-NE 3.57Å; E69-R72 IonicContact OE1-NH2 2.72Å; E69-R72 PolarHBondContact OE1-NH2 2.89Å; E69-R72 IonicContact OE2-CZ 3.03Å; E69-R72 IonicContact OE2-NE 3.52Å; E69-R72 PolarHBondContact OE2-NE 3.4Å; E69-R72 IonicContact OE2-NH2 3.37Å; E69-R72 PolarHBondContact OE2-NH2 3.37Å; R72-Q74 PolarHBondContact O-N 2.8Å; R72-E75 PolarHBondContact O-N 2.79Å; R72-E76 IonicContact CZ-OE1 3.61Å; R72-E76 IonicContact NH1-OE1 2.83Å; R72-E76 PolarHBondContact NH1-OE1 3.42Å; R72-E76 PolarHBondContact O-N 3.49Å
73L98.7Very high98Very high89 Ų89107.9 Ų107.947%0.46653%0.526SS..Hα-helixtrans-66.2-36.2177.7-72.3173.6000112.5E69 L70 A71 E76 N77E69-L73 HydrophobicContact CG-CD1 4.27Å; E69-L73 WeakPolarHBondContact O-CB 3.15Å; E69-L73 WeakPolarHBondContact O-CG 3.32Å; E69-L73 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 3.29Å; A71-L73 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 2.98Å; L73-N77 WeakPolarHBondContact O-CB 3.15Å; L73-N77 PolarHBondContact O-N 2.9Å
74Q98.3Very high97.8Very high122 Ų122109.2 Ų109.257%0.5753%0.533SS*.Hα-helixtrans-64.5-41.9174.4-77.9177.7-11.900111.8L70 A71 R72 N77 S78L70-Q74 HydrophobicContact CD2-CG 4.31Å; L70-Q74 VanDerWaalsContact CD2-NE2 3.27Å; L70-Q74 WeakPolarHBondContact O-CB 3.45Å; L70-Q74 VanDerWaalsContact O-CG 3.23Å; L70-Q74 WeakPolarHBondContact O-CG 3.49Å; L70-Q74 PolarHBondContact O-N 2.88Å; A71-Q74 PolarHBondContact O-N 2.8Å; R72-Q74 PolarHBondContact O-N 2.8Å; Q74-N77 PolarHBondContact O-N 3.49Å; Q74-S78 WeakPolarHBondContact O-CB 3.1Å; Q74-S78 PolarHBondContact O-N 2.96Å
75E98.2Very high97.5Very high144 Ų144107.2 Ų107.267%0.67353%0.528SS*.Hα-helixtrans-60.4-49174.1-175.4-175.7-16900111.1A71 R72 N77 S78 K79A71-E75 PolarHBondContact O-N 2.81Å; R72-E75 PolarHBondContact O-N 2.79Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 2.8Å; E75-S78 WeakPolarHBondContact O-CB 3.4Å; E75-S78 PolarHBondContact O-N 2.91Å; E75-K79 WeakPolarHBondContact O-CB 3.25Å; E75-K79 PolarHBondContact O-N 3.04Å
76E98.1Very high97.2Very high86 Ų86104 Ų10440%0.40252%0.521SS..Hα-helixtrans-60.8-41.5177.1-72.2-178-170.400111.8R72 L73 S78 K79 L80R72-E76 IonicContact CZ-OE1 3.61Å; R72-E76 IonicContact NH1-OE1 2.83Å; R72-E76 PolarHBondContact NH1-OE1 3.42Å; R72-E76 PolarHBondContact O-N 3.49Å; L73-E76 PolarHBondContact O-N 2.98Å; E76-S78 VanDerWaalsContact C-N 3.35Å; E76-S78 PolarHBondContact O-N 3.11Å; E76-K79 WeakPolarHBondContact O-CB 3.37Å; E76-K79 PolarHBondContact O-N 3.3Å; E76-L80 WeakPolarHBondContact O-CG 3.01Å; E76-L80 PolarHBondContact O-N 3.19Å
77N98Very high96.9Very high82 Ų82101.2 Ų101.244%0.43952%0.522SS..Hα-helixtrans-62.3-43.5176.2-160.8-74.3000111.5L73 Q74 E75 K79 L80 R81L73-N77 WeakPolarHBondContact O-CB 3.15Å; L73-N77 PolarHBondContact O-N 2.9Å; Q74-N77 PolarHBondContact O-N 3.49Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 2.8Å; N77-K79 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 2.97Å; N77-L80 PolarHBondContact O-N 2.76Å; N77-R81 VanDerWaalsContact O-CG 3.31Å; N77-R81 WeakPolarHBondContact O-CG 3.43Å; N77-R81 PolarHBondContact O-N 3.47Å; N77-R81 PolarHBondContact OD1-NE 2.89Å
78S97.9Very high96.6Very high81 Ų81102.5 Ų102.557%0.56653%0.526SS*.Hα-helixtrans-60.4-44.3174.3-172.90000111.1Q74 E75 E76 L80 R81 G82Q74-S78 WeakPolarHBondContact O-CB 3.1Å; Q74-S78 PolarHBondContact O-N 2.96Å; E75-S78 WeakPolarHBondContact O-CB 3.4Å; E75-S78 PolarHBondContact O-N 2.91Å; E76-S78 VanDerWaalsContact C-N 3.35Å; E76-S78 PolarHBondContact O-N 3.11Å; S78-L80 PolarHBondContact O-N 2.94Å; S78-R81 WeakPolarHBondContact O-CB 3.3Å; S78-R81 PolarHBondContact O-N 3.38Å; S78-G82 PolarHBondContact O-N 2.98Å
79K97.8Very high96.4Very high135 Ų13599.7 Ų99.759%0.58752%0.519SS*.Hα-helixtrans-61.4-44.9176.8-169.1-178.7-171.3175.80111.9E75 E76 N77 G82 F83E75-K79 WeakPolarHBondContact O-CB 3.25Å; E75-K79 PolarHBondContact O-N 3.04Å; E76-K79 WeakPolarHBondContact O-CB 3.37Å; E76-K79 PolarHBondContact O-N 3.3Å; N77-K79 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 2.97Å; K79-G82 WeakPolarHBondContact O-CA 3.45Å; K79-G82 PolarHBondContact O-N 2.84Å; K79-F83 HydrophobicContact CD-CE2 4.08Å; K79-F83 HydrophobicContact CG-CD2 3.94Å; K79-F83 HydrophobicContact CG-CE2 3.64Å; K79-F83 WeakPolarHBondContact O-CD2 3.24Å; K79-F83 PolarHBondContact O-N 2.85Å
80L97.8Very high96Very high108 Ų10899.3 Ų99.357%0.56552%0.522SS*.Hα-helixtrans-62.1-42.3176.1-72.1173.3000111.7E76 N77 S78 G82 F83 L84E76-L80 WeakPolarHBondContact O-CG 3.01Å; E76-L80 PolarHBondContact O-N 3.19Å; N77-L80 PolarHBondContact O-N 2.76Å; S78-L80 PolarHBondContact O-N 2.94Å; L80-G82 VanDerWaalsContact C-N 3.32Å; L80-G82 PolarHBondContact O-N 3.32Å; L80-F83 PolarHBondContact O-N 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.36Å; L80-L84 PolarHBondContact O-N 3.43Å
81R96.4Very high95.7Very high173 Ų17397.9 Ų97.965%0.65352%0.515SS*.Hα-helixtrans-61.5-42.3173.3-71.9172.5179.2-87.30.9111.5N77 S78 L84 S85N77-R81 VanDerWaalsContact O-CG 3.31Å; N77-R81 WeakPolarHBondContact O-CG 3.43Å; N77-R81 PolarHBondContact O-N 3.47Å; N77-R81 PolarHBondContact OD1-NE 2.89Å; S78-R81 WeakPolarHBondContact O-CB 3.3Å; S78-R81 PolarHBondContact O-N 3.38Å; R81-L84 PolarHBondContact O-N 3.23Å; R81-S85 WeakPolarHBondContact O-CB 3.33Å; R81-S85 PolarHBondContact O-N 2.85Å; R81-S85 PolarHBondContact O-OG 3.45Å
82G96.1Very high95.3Very high36 Ų3699.9 Ų99.937%0.37152%0.518SS..Hα-helixtrans-55.6-51.2171.800000112S78 K79 L80 L84 S85 S86S78-G82 PolarHBondContact O-N 2.98Å; K79-G82 WeakPolarHBondContact O-CA 3.45Å; K79-G82 PolarHBondContact O-N 2.84Å; L80-G82 VanDerWaalsContact C-N 3.32Å; L80-G82 PolarHBondContact O-N 3.32Å; G82-L84 PolarHBondContact O-N 3.18Å; G82-S85 PolarHBondContact O-N 2.99Å; G82-S85 PolarHBondContact O-OG 2.81Å; G82-S86 WeakPolarHBondContact O-CB 3.09Å; G82-S86 PolarHBondContact O-N 3.19Å
83F96.3Very high95Very high127 Ų12799.1 Ų99.156%0.55752%0.519SS*.Hα-helixtrans-60.4-45.9177.2-82.1-63.4000113.2K79 L80 S85 S86 S87K79-F83 HydrophobicContact CD-CE2 4.08Å; K79-F83 HydrophobicContact CG-CD2 3.94Å; K79-F83 HydrophobicContact CG-CE2 3.64Å; K79-F83 WeakPolarHBondContact O-CD2 3.24Å; K79-F83 PolarHBondContact O-N 2.85Å; L80-F83 PolarHBondContact O-N 3.24Å; F83-S85 PolarHBondContact O-N 3.25Å; F83-S86 PolarHBondContact O-N 2.94Å; F83-S87 WeakPolarHBondContact O-CB 3.26Å; F83-S87 PolarHBondContact O-N 2.91Å
84L94.8Very high94.7Very high126 Ų126101.1 Ų101.166%0.6653%0.526SS*.Hα-helixtrans-63.1-43.3179-72173.3000111.4L80 R81 G82 F88L80-L84 WeakPolarHBondContact O-CG 3.36Å; L80-L84 PolarHBondContact O-N 3.43Å; R81-L84 PolarHBondContact O-N 3.23Å; G82-L84 PolarHBondContact O-N 3.18Å; L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 PolarHBondContact O-N 3.16Å
85S93.3Very high94.5Very high69 Ų69101.4 Ų101.448%0.48353%0.526SS..Hα-helixtrans-64-44.5177.468.70000111.8R81 G82 F83 V89R81-S85 WeakPolarHBondContact O-CB 3.33Å; R81-S85 PolarHBondContact O-N 2.85Å; R81-S85 PolarHBondContact O-OG 3.45Å; G82-S85 PolarHBondContact O-N 2.99Å; G82-S85 PolarHBondContact O-OG 2.81Å; F83-S85 PolarHBondContact O-N 3.25Å; S85-V89 VanDerWaalsContact O-CB 3.32Å; S85-V89 WeakPolarHBondContact O-CB 3.31Å; S85-V89 WeakPolarHBondContact O-CG2 3.47Å; S85-V89 PolarHBondContact O-N 3.45Å
86S92.4Very high94.1Very high69 Ų6996.8 Ų96.848%0.48351%0.512SS..Hα-helixtrans-66.9-46.7178.6178.90000112.3G82 F83 F88 V89 T90G82-S86 WeakPolarHBondContact O-CB 3.09Å; G82-S86 PolarHBondContact O-N 3.19Å; F83-S86 PolarHBondContact O-N 2.94Å; S86-F88 PolarHBondContact O-N 3.02Å; S86-V89 PolarHBondContact O-N 3.49Å; S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 VanDerWaalsContact O-CG2 3.25Å; S86-T90 WeakPolarHBondContact O-CG2 3.39Å; S86-T90 PolarHBondContact O-N 2.92Å; S86-T90 PolarHBondContact O-OG1 3.41Å
87S90.4Very high93.8Very high77 Ų7798.5 Ų98.554%0.53852%0.518SS..Hα-helixtrans-62.4-43.9177.8-178.80000111.7F83 T90 N91F83-S87 WeakPolarHBondContact O-CB 3.26Å; F83-S87 PolarHBondContact O-N 2.91Å; S87-T90 WeakPolarHBondContact CA-OG1 3.21Å; S87-T90 PolarHBondContact O-OG1 2.8Å; S87-N91 VanDerWaalsContact O-CB 3.31Å; S87-N91 WeakPolarHBondContact O-CB 2.86Å; S87-N91 PolarHBondContact O-N 3.23Å
88F91.9Very high93.6Very high139 Ų139101.3 Ų101.361%0.6153%0.526SS*.Hα-helixtrans-64.2-48.1177.3-179.6-101.8000111.9L84 S86 T90 N91 L92L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 PolarHBondContact O-N 3.16Å; S86-F88 PolarHBondContact O-N 3.02Å; F88-T90 PolarHBondContact O-N 3.24Å; F88-N91 PolarHBondContact O-N 3.3Å; F88-L92 HydrophobicContact CE1-CD1 3.7Å; F88-L92 HydrophobicContact CZ-CD1 3.69Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.2Å
89V94.4Very high93.2Very high87 Ų87103.2 Ų103.253%0.52753%0.53SS..Hα-helixtrans-62.5-44.5180169.20000111.3S85 S86 L92 Q93S85-V89 VanDerWaalsContact O-CB 3.32Å; S85-V89 WeakPolarHBondContact O-CB 3.31Å; S85-V89 WeakPolarHBondContact O-CG2 3.47Å; S85-V89 PolarHBondContact O-N 3.45Å; S86-V89 PolarHBondContact O-N 3.49Å; V89-L92 PolarHBondContact O-N 2.89Å; V89-Q93 WeakPolarHBondContact O-CB 3.42Å; V89-Q93 PolarHBondContact O-N 3.48Å
90T90.8Very high92.4Very high71 Ų7199.8 Ų99.844%0.43652%0.52SS..Hα-helixtrans-64.5-42.7177.851.10000112S86 S87 F88 L92 Q93 E94S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 VanDerWaalsContact O-CG2 3.25Å; S86-T90 WeakPolarHBondContact O-CG2 3.39Å; S86-T90 PolarHBondContact O-N 2.92Å; S86-T90 PolarHBondContact O-OG1 3.41Å; S87-T90 WeakPolarHBondContact CA-OG1 3.21Å; S87-T90 PolarHBondContact O-OG1 2.8Å; F88-T90 PolarHBondContact O-N 3.24Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 3.4Å; T90-Q93 PolarHBondContact O-N 3.48Å; T90-E94 WeakPolarHBondContact O-CB 3.27Å; T90-E94 PolarHBondContact O-N 2.81Å
91N92.2Very high91.6Very high67 Ų6796.1 Ų96.136%0.35851%0.505SS..Hα-helixtrans-60.2-43.1174.9-170.4-95.6000112S87 F88 E94 K95S87-N91 VanDerWaalsContact O-CB 3.31Å; S87-N91 WeakPolarHBondContact O-CB 2.86Å; S87-N91 PolarHBondContact O-N 3.23Å; F88-N91 PolarHBondContact O-N 3.3Å; N91-E94 PolarHBondContact O-N 2.82Å; N91-K95 WeakPolarHBondContact O-CB 3.47Å; N91-K95 WeakPolarHBondContact O-CG 3.4Å; N91-K95 PolarHBondContact O-N 3.17Å; N91-K95 WeakPolarHBondContact OD1-CD 3.47Å; N91-K95 VanDerWaalsContact OD1-CE 3.25Å; N91-K95 WeakPolarHBondContact OD1-CE 3.36Å; N91-K95 PolarHBondContact OD1-NZ 2.86Å
92L89.4Confident90.8Very high95 Ų9592 Ų9250%0.49750%0.496SS..Hα-helixtrans-67.4-41.3179.7-152154.4000110.8F88 V89 T90 K95 A96F88-L92 HydrophobicContact CE1-CD1 3.7Å; F88-L92 HydrophobicContact CZ-CD1 3.69Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 2.89Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 3.4Å; L92-K95 PolarHBondContact O-N 2.9Å; L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 2.93Å
93Q92.3Very high89.9Confident99 Ų9999 Ų9946%0.46351%0.512SS..Hα-helixtrans-62.3-43.3174.9-170.9-173.81200111.9V89 T90 A96 K97V89-Q93 WeakPolarHBondContact O-CB 3.42Å; V89-Q93 PolarHBondContact O-N 3.48Å; T90-Q93 PolarHBondContact O-N 3.48Å; Q93-A96 PolarHBondContact O-N 3.26Å; Q93-K97 HydrophobicContact CG-CD 4.38Å; Q93-K97 VanDerWaalsContact NE2-NZ 3.19Å; Q93-K97 WeakPolarHBondContact O-CB 3.39Å; Q93-K97 VanDerWaalsContact O-CG 3.31Å; Q93-K97 WeakPolarHBondContact O-CG 3.44Å; Q93-K97 PolarHBondContact O-N 3.49Å
94E92.2Very high88.7Confident131 Ų131100.2 Ų100.261%0.61251%0.512SS*.Hα-helixtrans-64.2-45.7177.3-170.3-172.9170.500111.4T90 N91 A96 K97 K98T90-E94 WeakPolarHBondContact O-CB 3.27Å; T90-E94 PolarHBondContact O-N 2.81Å; N91-E94 PolarHBondContact O-N 2.82Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 2.96Å; E94-K97 WeakPolarHBondContact O-CB 3.41Å; E94-K97 PolarHBondContact O-N 3.36Å; E94-K98 WeakPolarHBondContact O-CB 3.31Å; E94-K98 PolarHBondContact O-N 2.85Å
95K93.3Very high87.5Confident128 Ų12897.5 Ų97.556%0.55750%0.499SS*.Hα-helixtrans-58.8-43.4175-78174.9171.9160.40111.8N91 L92 K98 L99N91-K95 WeakPolarHBondContact O-CB 3.47Å; N91-K95 WeakPolarHBondContact O-CG 3.4Å; N91-K95 PolarHBondContact O-N 3.17Å; N91-K95 WeakPolarHBondContact OD1-CD 3.47Å; N91-K95 VanDerWaalsContact OD1-CE 3.25Å; N91-K95 WeakPolarHBondContact OD1-CE 3.36Å; N91-K95 PolarHBondContact OD1-NZ 2.86Å; L92-K95 PolarHBondContact O-N 2.9Å; K95-K98 PolarHBondContact O-N 3.2Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.14Å; K95-L99 PolarHBondContact O-N 2.86Å
96A90.3Very high86.2Confident47 Ų4799.3 Ų99.339%0.38850%0.502SS..Hα-helixtrans-63.2-43.6175.300000111.9L92 Q93 E94 K98 L99 T100L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 2.93Å; Q93-A96 PolarHBondContact O-N 3.26Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 2.96Å; A96-K98 PolarHBondContact O-N 3.26Å; A96-L99 PolarHBondContact O-N 2.77Å; A96-T100 WeakPolarHBondContact O-CG2 3.48Å; A96-T100 PolarHBondContact O-N 3.38Å; A96-T100 PolarHBondContact O-OG1 2.94Å
97K92.1Very high85Confident122 Ų122103.1 Ų103.153%0.5351%0.51SS..Hα-helixtrans-59.9-45.3175-75.3172.1-179171.40111.4Q93 E94 T100 A101Q93-K97 HydrophobicContact CG-CD 4.38Å; Q93-K97 VanDerWaalsContact NE2-NZ 3.19Å; Q93-K97 WeakPolarHBondContact O-CB 3.39Å; Q93-K97 VanDerWaalsContact O-CG 3.31Å; Q93-K97 WeakPolarHBondContact O-CG 3.44Å; Q93-K97 PolarHBondContact O-N 3.49Å; E94-K97 WeakPolarHBondContact O-CB 3.41Å; E94-K97 PolarHBondContact O-N 3.36Å; K97-T100 PolarHBondContact O-N 2.81Å; K97-T100 PolarHBondContact O-OG1 3.02Å; K97-A101 WeakPolarHBondContact O-CB 3.28Å; K97-A101 PolarHBondContact O-N 2.93Å
98K93.8Very high83.7Confident141 Ų141106.2 Ų106.261%0.61351%0.51SS*.Hα-helixtrans-59.7-47.1175.8-172.1174.7-179.91780111.8E94 K95 A96 T100 A101 D102E94-K98 WeakPolarHBondContact O-CB 3.31Å; E94-K98 PolarHBondContact O-N 2.85Å; K95-K98 PolarHBondContact O-N 3.2Å; A96-K98 PolarHBondContact O-N 3.26Å; K98-T100 VanDerWaalsContact C-N 3.35Å; K98-T100 PolarHBondContact O-N 3.04Å; K98-A101 PolarHBondContact O-N 3.41Å; K98-D102 PolarHBondContact O-N 3.45Å
99L89.1Confident82Confident121 Ų121104.7 Ų104.763%0.63451%0.508SS*.Hα-helixtrans-61.7-39.8177-71.1173.9000112.7K95 A96 R103K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.14Å; K95-L99 PolarHBondContact O-N 2.86Å; A96-L99 PolarHBondContact O-N 2.77Å; L99-R103 VanDerWaalsContact O-CB 3.25Å; L99-R103 WeakPolarHBondContact O-CB 3.41Å; L99-R103 PolarHBondContact O-N 2.78Å
100T80.9Confident80.2Confident62 Ų62106 Ų10638%0.3851%0.509SS..Hα-helixtrans-71.1-31.9176.5630000113A96 K97 K98 R104A96-T100 WeakPolarHBondContact O-CG2 3.48Å; A96-T100 PolarHBondContact O-N 3.38Å; A96-T100 PolarHBondContact O-OG1 2.94Å; K97-T100 PolarHBondContact O-N 2.81Å; K97-T100 PolarHBondContact O-OG1 3.02Å; K98-T100 VanDerWaalsContact C-N 3.35Å; K98-T100 PolarHBondContact O-N 3.04Å; T100-R104 WeakPolarHBondContact O-CB 3.43Å; T100-R104 WeakPolarHBondContact O-CG 3.33Å; T100-R104 PolarHBondContact O-N 3.03Å; T100-R104 VanDerWaalsContact O-N 3.11Å; T100-R104 PolarHBondContact O-NE 3.44Å; T100-R104 VanDerWaalsContact O-NE 3.09Å
101A81.1Confident78.5Confident32 Ų32106.3 Ų106.326%0.26451%0.513SS..Hα-helixtrans-68.2-49.2173.300000110.7K97 K98 R103 R104 N105K97-A101 WeakPolarHBondContact O-CB 3.28Å; K97-A101 PolarHBondContact O-N 2.93Å; K98-A101 PolarHBondContact O-N 3.41Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.07Å; A101-R104 PolarHBondContact O-N 3.2Å; A101-R104 VanDerWaalsContact O-N 3.14Å; A101-N105 PolarHBondContact O-N 2.64Å; A101-N105 PolarHBondContact O-ND2 3.33Å; A101-N105 VanDerWaalsContact O-ND2 3.11Å
102D78.8Confident76.6Confident87 Ų87107.5 Ų107.547%0.46553%0.527SS..Hα-helixtrans-61-41.6176.7-76.8-15.9000111.8K98 R104 N105 L106K98-D102 PolarHBondContact O-N 3.45Å; D102-R104 VanDerWaalsContact C-N 3.35Å; D102-R104 PolarHBondContact O-N 2.95Å; D102-N105 PolarHBondContact O-N 3.41Å; D102-L106 WeakPolarHBondContact O-CB 3.41Å; D102-L106 PolarHBondContact O-N 2.91Å
103R79.1Confident74.9Confident182 Ų182109.9 Ų109.969%0.68754%0.54SS*.Hα-helixtrans-61.6-41.4174.6-167.2176.782.2173.44.1112L99 A101 K107L99-R103 VanDerWaalsContact O-CB 3.25Å; L99-R103 WeakPolarHBondContact O-CB 3.41Å; L99-R103 PolarHBondContact O-N 2.78Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.07Å; R103-K107 WeakPolarHBondContact O-CB 3.34Å; R103-K107 PolarHBondContact O-N 3.36Å
104R71.2Confident72.8Confident152 Ų152111.6 Ų111.657%0.57455%0.552SS**Hα-helixtrans-66.9-39176.8-79.9179.9-75.6148.3-7.5112T100 A101 D102 K107 R108T100-R104 WeakPolarHBondContact O-CB 3.43Å; T100-R104 WeakPolarHBondContact O-CG 3.33Å; T100-R104 PolarHBondContact O-N 3.03Å; T100-R104 VanDerWaalsContact O-N 3.11Å; T100-R104 PolarHBondContact O-NE 3.44Å; T100-R104 VanDerWaalsContact O-NE 3.09Å; A101-R104 PolarHBondContact O-N 3.2Å; A101-R104 VanDerWaalsContact O-N 3.14Å; D102-R104 VanDerWaalsContact C-N 3.35Å; D102-R104 PolarHBondContact O-N 2.95Å; R104-K107 PolarHBondContact O-N 3.5Å; R104-R108 WeakPolarHBondContact O-CB 3.22Å; R104-R108 PolarHBondContact O-N 3.36Å
105N68.3Low70.7Confident70 Ų70113.3 Ų113.337%0.37456%0.56SS.*Hα-helixtrans-67.5-42.9175.9-68.7-37.7000111.7A101 D102 K107 R108 N109A101-N105 PolarHBondContact O-N 2.64Å; A101-N105 PolarHBondContact O-ND2 3.33Å; A101-N105 VanDerWaalsContact O-ND2 3.11Å; D102-N105 PolarHBondContact O-N 3.41Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 3.41Å; N105-R108 PolarHBondContact O-N 2.89Å; N105-R108 PolarHBondContact OD1-NH1 3.21Å; N105-N109 VanDerWaalsContact O-CG 3.22Å; N105-N109 PolarHBondContact O-N 3.48Å; N105-N109 PolarHBondContact O-ND2 3.44Å; N105-N109 VanDerWaalsContact O-ND2 3.17Å
106L66Low68.2Low107 Ų107114.6 Ų114.656%0.5657%0.567SS**Hα-helixtrans-61.2-42.3174-174.463.1000111.8D102 N109 Q110D102-L106 WeakPolarHBondContact O-CB 3.41Å; D102-L106 PolarHBondContact O-N 2.91Å; L106-N109 PolarHBondContact O-N 3.48Å; L106-Q110 PolarHBondContact O-N 2.85Å
107K67.7Low66.7Low148 Ų148116.8 Ų116.864%0.64358%0.578SS**Hα-helixtrans-67.5-38.2178.9-143.7175.9-176.5-171.70112.3R103 R104 N105 Q110 S111R103-K107 WeakPolarHBondContact O-CB 3.34Å; R103-K107 PolarHBondContact O-N 3.36Å; R104-K107 PolarHBondContact O-N 3.5Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 3.41Å; K107-Q110 PolarHBondContact O-N 3.22Å; K107-S111 PolarHBondContact O-N 3.29Å; K107-S111 PolarHBondContact O-OG 3.4Å
108R62.5Low64.1Low143 Ų143116 Ų11654%0.5459%0.588SS.*Hα-helixtrans-64.8-41.2175-166.3-175.1-62.9109.7-3.8112R104 N105 Q110 S111 S112R104-R108 WeakPolarHBondContact O-CB 3.22Å; R104-R108 PolarHBondContact O-N 3.36Å; N105-R108 PolarHBondContact O-N 2.89Å; N105-R108 PolarHBondContact OD1-NH1 3.21Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-S111 WeakPolarHBondContact CA-OG 3.42Å; R108-S111 PolarHBondContact O-N 3.49Å; R108-S111 PolarHBondContact O-OG 2.93Å; R108-S112 PolarHBondContact O-N 3.5Å; R108-S112 VanDerWaalsContact O-N 3.1Å
109N57.8Low61.9Low107 Ų107118.1 Ų118.157%0.57260%0.6SS**Hα-helixtrans-70.2-27.4176.1-65.5-25.1000112.7N105 L106 S112N105-N109 VanDerWaalsContact O-CG 3.22Å; N105-N109 PolarHBondContact O-N 3.48Å; N105-N109 PolarHBondContact O-ND2 3.44Å; N105-N109 VanDerWaalsContact O-ND2 3.17Å; L106-N109 PolarHBondContact O-N 3.48Å; N109-S112 PolarHBondContact O-OG 2.84Å
110Q56.1Low59.5Low115 Ų115119 Ų11954%0.53761%0.61SS.*Hα-helixtrans-73.5-39.6170.1-83.8-178.16.600112.2L106 K107 R108 S112 L113 N114L106-Q110 PolarHBondContact O-N 2.85Å; K107-Q110 PolarHBondContact O-N 3.22Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-S112 VanDerWaalsContact C-N 3.35Å; Q110-S112 PolarHBondContact O-N 3.48Å; Q110-L113 PolarHBondContact O-N 2.89Å; Q110-N114 PolarHBondContact O-ND2 3.33Å
111S55Low57.9Low76 Ų76127.9 Ų127.953%0.53164%0.636SS.*Hα-helixtrans-69.1-29.9177.750.10000113.5K107 R108 L113 N114K107-S111 PolarHBondContact O-N 3.29Å; K107-S111 PolarHBondContact O-OG 3.4Å; R108-S111 WeakPolarHBondContact CA-OG 3.42Å; R108-S111 PolarHBondContact O-N 3.49Å; R108-S111 PolarHBondContact O-OG 2.93Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.46Å; S111-N114 PolarHBondContact O-N 3.04Å
112S52.2Low55.9Low92 Ų92129.6 Ų129.664%0.64366%0.657SS**THydrogen-bonded Turntrans-75.2-13.1175.866.50000113.9R108 N109 Q110R108-S112 PolarHBondContact O-N 3.5Å; R108-S112 VanDerWaalsContact O-N 3.1Å; N109-S112 PolarHBondContact O-OG 2.84Å; Q110-S112 VanDerWaalsContact C-N 3.35Å; Q110-S112 PolarHBondContact O-N 3.48Å
113L53.9Low54.3Low146 Ų146135.1 Ų135.176%0.76467%0.671SS**THydrogen-bonded Turntrans-89.7-11.7176.1-168.765.3000112.6Q110 S111Q110-L113 PolarHBondContact O-N 2.89Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.46Å
114N48.2Very low52.7Low134 Ų134132.8 Ų132.872%0.71768%0.679SS**SBendtrans-105.122.9-171.3-76.2-64.5000114.2Q110 S111Q110-N114 PolarHBondContact O-ND2 3.33Å; S111-N114 PolarHBondContact O-N 3.04Å
115H47.6Very low51.1Low168 Ų168133.6 Ų133.678%0.77869%0.687SS**  trans-135.781.7174.5-159.9-75.4000112.5
116E41.5Very low50.3Low154 Ų154135.2 Ų135.272%0.7270%0.704SS**  trans-147.8127149.6-150-73.1149.100108.3
117P57.1Low49.2Very low94 Ų94139.7 Ų139.761%0.6172%0.719SS**  trans-102.2112.5179.835.4-23000110.3
118S37.4Very low48.1Very low106 Ų106140.9 Ų140.974%0.74173%0.727SS**  trans-163130.5149.3-100.10000113.6
119E48.8Very low47.2Very low185 Ų185141.8 Ų141.886%0.86474%0.741SS**  trans-41.6136.2155.1-57.9-177.1143.300111
120V38.3Very low46.6Very low138 Ų138142.6 Ų142.684%0.83675%0.75SS**  trans169.5123.1132.7157.20000107.7G122V120-G122 PolarHBondContact O-N 2.98Å
121R46.6Very low46.5Very low250 Ų250146.2 Ų146.294%0.94376%0.764SS**  trans-47118.4169.2175.3179.7-70.5-141.2-3.1111.3
122G39.1Very low46.4Very low67 Ų67153.6 Ų153.669%0.69178%0.78SS**  trans169.688.4168.700000115.9V120V120-G122 PolarHBondContact O-N 2.98Å
123R46.2Very low46.3Very low204 Ų204155.4 Ų155.477%0.7779%0.787SS**  trans44.1119.8147-150.9-162.2-65.5-100.59.5118.8F125R123-F125 PolarHBondContact O-N 3.03Å
124P45.1Very low46.4Very low132 Ų132154 Ų15486%0.85779%0.788SS**  trans-88.9107.6160.824.9-12.5000110.5
125F37.3Very low47Very low169 Ų169157 Ų15774%0.74179%0.789SS**  trans-63.9125.7158.4-91.3-93.4000110R123 K127R123-F125 PolarHBondContact O-N 3.03Å; F125-K127 PolarHBondContact O-N 3.2Å
126S51.7Low47.3Very low104 Ų104155.5 Ų155.573%0.72779%0.787SS**  trans10.8103.1143.2163.20000116.4
127K43.9Very low48Very low202 Ų202153 Ų15388%0.87878%0.778SS**  trans-112.2117.3151.3-75.5-175.7180178.90108.6F125 I129F125-K127 PolarHBondContact O-N 3.2Å; K127-I129 PolarHBondContact O-N 2.89Å
128Q44.8Very low47.9Very low172 Ų172153.7 Ų153.780%0.80478%0.781SS**  trans-52.3122.7-172.2-68.5159.1-24.100111.8T130Q128-T130 VanDerWaalsContact C-N 3.35Å; Q128-T130 PolarHBondContact O-N 2.98Å
129I42Very low48.6Very low163 Ų163151.9 Ų151.984%0.83677%0.772SS**  trans-70.397.7162.5-64.1159.5000105.9K127 K131K127-I129 PolarHBondContact O-N 2.89Å; I129-K131 PolarHBondContact O-N 2.93Å
130T45Very low48.5Very low123 Ų123150.3 Ų150.376%0.75577%0.765SS**  trans-60.4107.9167.99.50000107.6Q128 R132Q128-T130 VanDerWaalsContact C-N 3.35Å; Q128-T130 PolarHBondContact O-N 2.98Å; T130-R132 PolarHBondContact O-N 3.34Å
131K55Low48.7Very low191 Ų191152.7 Ų152.783%0.8376%0.764SS**  trans-55.999.6171.5-67177.9177.7176.60107.9I129 V133I129-K131 PolarHBondContact O-N 2.93Å; K131-V133 VanDerWaalsContact C-N 3.33Å; K131-V133 PolarHBondContact O-N 2.91Å
132R53.7Low48.5Very low231 Ų231146.1 Ų146.187%0.87276%0.756SS**  trans-66.5100.5164-71.6-171.1-73.3169.4-2.9105.9T130 C134T130-R132 PolarHBondContact O-N 3.34Å; R132-C134 PolarHBondContact O-N 3.18Å
133V50.3Low48.6Very low130 Ų130147.9 Ų147.979%0.78876%0.757SS**  trans-60.1104.8164.8175.70000105.8K131 R135K131-V133 VanDerWaalsContact C-N 3.33Å; K131-V133 PolarHBondContact O-N 2.91Å; V133-R135 VanDerWaalsContact C-N 3.29Å; V133-R135 PolarHBondContact O-N 3.39Å
134C55.9Low48.1Very low116 Ų116147 Ų14778%0.78476%0.762SS**  trans-64.793.8168.2-67.60000107.3R132 N136R132-C134 PolarHBondContact O-N 3.18Å; C134-N136 PolarHBondContact O-N 3.2Å
135R60.7Low48Very low197 Ų197146.5 Ų146.574%0.74376%0.762SS**  trans-66.9119.5161.253.6-175.3168.3121.6-1.1107.5V133 L137V133-R135 VanDerWaalsContact C-N 3.29Å; V133-R135 PolarHBondContact O-N 3.39Å; R135-L137 HydrophobicContact CG-CD2 4.29Å; R135-L137 PolarHBondContact O-N 3.32Å; R135-L137 VanDerWaalsContact O-N 3.1Å
136N52.8Low48.7Very low137 Ų137143.6 Ų143.673%0.73376%0.762SS**  trans-64.1106.7171.4-87.7-63.2000108.2C134 T138C134-N136 PolarHBondContact O-N 3.2Å; N136-T138 PolarHBondContact O-N 2.83Å
137L57.4Low48.5Very low102 Ų102143.3 Ų143.353%0.53477%0.766SS.*THydrogen-bonded Turntrans-79.86.8175.7-65.6174.9000112.8R135R135-L137 HydrophobicContact CG-CD2 4.29Å; R135-L137 PolarHBondContact O-N 3.32Å; R135-L137 VanDerWaalsContact O-N 3.1Å
138T53Low47.9Very low108 Ų108144.9 Ų144.966%0.66377%0.766SS**THydrogen-bonded Turntrans-80.7-13.5-17825.90000113.9N136N136-T138 PolarHBondContact O-N 2.83Å
139A53.1Low47.5Very low69 Ų69141.2 Ų141.257%0.5776%0.76SS**SBendtrans-88-19.1-179.800000114.2F141A139-F141 VanDerWaalsContact C-N 3.26Å; A139-F141 PolarHBondContact O-N 3.37Å
140E46.5Very low47.6Very low152 Ų152138.5 Ų138.571%0.7176%0.762SS**G310 helixtrans-74.1-17.3-176.8-63.1-83.313300112.5
141F43.5Very low47.3Very low188 Ų188137.2 Ų137.283%0.82576%0.758SS**G310 helixtrans-87.4-2.1-179.3-75.5-80.4000114.7A139A139-F141 VanDerWaalsContact C-N 3.26Å; A139-F141 PolarHBondContact O-N 3.37Å
142C42.5Very low46.9Very low112 Ų112134.6 Ų134.676%0.75776%0.76SS**G310 helixtrans-101.8-5-178.7-73.30000114.9
143S40.3Very low46.6Very low104 Ų104131.6 Ų131.673%0.72776%0.756SS**SBendtrans-113.1-8.2-172.9-60.30000115.1S145S143-S145 PolarHBondContact O-N 2.72Å
144E35.5Very low46.9Very low186 Ų186129.5 Ų129.587%0.86975%0.745SS**THydrogen-bonded Turntrans-92.715.1-175.5-151.4167.4174.600114.3
145S43.9Very low47.6Very low121 Ų121126.7 Ų126.785%0.84673%0.727SS**THydrogen-bonded Turntrans-96.4-4.2173.8-172.70000114S143S143-S145 PolarHBondContact O-N 2.72Å
146S51.6Low48.1Very low108 Ų108123.8 Ų123.876%0.75573%0.725SS**SBendtrans-132.172.4-173.1-178.10000112.1
147A48Very low49.3Very low97 Ų97123 Ų12380%0.80272%0.721SS**  trans167.375.6142.100000112.2
148R30.3Very low50.4Low235 Ų235122 Ų12289%0.88772%0.716SS**  trans-157.281.9152.2-159.981.6-175.3-1671.9111.5
149S36.7Very low51.7Low96 Ų96123.7 Ų123.767%0.67171%0.71SS**  trans36.6117.1140.264.10000120.5
150A44.7Very low53.3Low106 Ų106123.4 Ų123.488%0.87670%0.701SS**  trans72.964.813100000118.7
151S37.3Very low55.1Low96 Ų96118.1 Ų118.167%0.67168%0.678SS**  trans-144.6140.7135.469.40000108.1E153S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 3.44Å
152P46.9Very low56.8Low135 Ų135118.4 Ų118.488%0.87767%0.673SS**  trans-80.680.6178.932.3-29.7000108.1
153E48.1Very low58.7Low168 Ų168119.2 Ų119.279%0.78567%0.667SS**  trans-71.3119.4163-165.2169.7-172.200106.7S151 S155S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 3.44Å; E153-S155 PolarHBondContact O-N 2.8Å
154P55Low60.7Low87 Ų87119.9 Ų119.957%0.56566%0.662SS**  trans-64.2111.5-177.625.8-31.4000107.1L156P154-L156 PolarHBondContact O-N 3.48Å
155S71.8Confident62.8Low56 Ų56114.4 Ų114.439%0.39266%0.656SS.*  trans-47.1133.6174.965.90000108.1E153 D157 L158 W159E153-S155 PolarHBondContact O-N 2.8Å; S155-D157 PolarHBondContact O-N 2.89Å; S155-L158 WeakPolarHBondContact O-CA 3.32Å; S155-L158 WeakPolarHBondContact O-CB 3.42Å; S155-L158 PolarHBondContact O-N 3.36Å; S155-L158 WeakPolarHBondContact OG-CB 3.23Å; S155-L158 WeakPolarHBondContact OG-CD1 3.49Å; S155-L158 VanDerWaalsContact OG-CG 3.27Å; S155-L158 WeakPolarHBondContact OG-CG 3.35Å; S155-L158 PolarHBondContact OG-N 3.22Å; S155-W159 PolarHBondContact O-N 3.04Å
156L70.6Confident64.4Low137 Ų137113.6 Ų113.672%0.71764%0.641SS**Hα-helixtrans-49.4-35.1-177.6-74.5165.8000111.5P154 W159 V160P154-L156 PolarHBondContact O-N 3.48Å; L156-W159 PolarHBondContact O-N 3.45Å; L156-V160 WeakPolarHBondContact O-CB 3.47Å; L156-V160 VanDerWaalsContact O-CG2 3.26Å; L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 3.37Å
157D79.5Confident65.7Low121 Ų121114.6 Ų114.665%0.64763%0.632SS**Hα-helixtrans-61.3-45.9175.7-64-20.2000112.7S155 W159 V160 L161S155-D157 PolarHBondContact O-N 2.89Å; D157-W159 VanDerWaalsContact C-N 3.33Å; D157-W159 PolarHBondContact O-N 2.99Å; D157-V160 PolarHBondContact O-N 3.01Å; D157-L161 WeakPolarHBondContact O-CB 3.23Å; D157-L161 WeakPolarHBondContact O-CD1 3.46Å; D157-L161 WeakPolarHBondContact O-CG 3.46Å; D157-L161 PolarHBondContact O-N 2.85Å
158L79.6Confident66.8Low80 Ų80112.7 Ų112.742%0.41961%0.608SS.*Hα-helixtrans-61.5-38.4173.5-79.8162.8000112.4S155 R162S155-L158 WeakPolarHBondContact O-CA 3.32Å; S155-L158 WeakPolarHBondContact O-CB 3.42Å; S155-L158 PolarHBondContact O-N 3.36Å; S155-L158 WeakPolarHBondContact OG-CB 3.23Å; S155-L158 WeakPolarHBondContact OG-CD1 3.49Å; S155-L158 VanDerWaalsContact OG-CG 3.27Å; S155-L158 WeakPolarHBondContact OG-CG 3.35Å; S155-L158 PolarHBondContact OG-N 3.22Å; L158-R162 VanDerWaalsContact O-CB 3.31Å; L158-R162 WeakPolarHBondContact O-CB 3.38Å; L158-R162 PolarHBondContact O-N 3.48Å
159W79.7Confident68.2Low144 Ų144110.4 Ų110.455%0.54561%0.608SS.*Hα-helixtrans-69.5-43.5177.4179.584.3000111.8S155 L156 D157 R162 M163S155-W159 PolarHBondContact O-N 3.04Å; L156-W159 PolarHBondContact O-N 3.45Å; D157-W159 VanDerWaalsContact C-N 3.33Å; D157-W159 PolarHBondContact O-N 2.99Å; W159-R162 PolarHBondContact O-N 3.05Å; W159-M163 HydrophobicContact CD2-CG 4.1Å; W159-M163 HydrophobicContact CE3-CG 4.42Å; W159-M163 HydrophobicContact CH2-CG 4.19Å; W159-M163 HydrophobicContact CZ2-CG 3.84Å; W159-M163 HydrophobicContact CZ2-SD 4.3Å; W159-M163 HydrophobicContact CZ3-CG 4.46Å; W159-M163 WeakPolarHBondContact O-CB 3.21Å; W159-M163 WeakPolarHBondContact O-CG 3.32Å; W159-M163 PolarHBondContact O-N 3.23Å
160V88Confident69.4Low63 Ų63112.3 Ų112.338%0.38261%0.61SS.*Hα-helixtrans-62.7-45.4175.7170.10000110.7L156 D157 R162 M163 L164L156-V160 WeakPolarHBondContact O-CB 3.47Å; L156-V160 VanDerWaalsContact O-CG2 3.26Å; L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 3.37Å; D157-V160 PolarHBondContact O-N 3.01Å; V160-R162 PolarHBondContact O-N 2.83Å; V160-M163 PolarHBondContact O-N 3.4Å; V160-L164 HydrophobicContact CG1-CD1 3.73Å; V160-L164 HydrophobicContact CG1-CG 4.39Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 VanDerWaalsContact O-CG 3.3Å; V160-L164 WeakPolarHBondContact O-CG 3.48Å; V160-L164 PolarHBondContact O-N 3.28Å
161L84.4Confident70Confident41 Ų41109.7 Ų109.722%0.21558%0.584CS.*Hα-helixtrans-58.8-46.4175.7-74.2172.3000111D157 M163 L164 G165 L166 D168D157-L161 WeakPolarHBondContact O-CB 3.23Å; D157-L161 WeakPolarHBondContact O-CD1 3.46Å; D157-L161 WeakPolarHBondContact O-CG 3.46Å; D157-L161 PolarHBondContact O-N 2.85Å; L161-M163 PolarHBondContact O-N 2.91Å; L161-L164 CarbonylContact O-C 3.59Å; L161-L164 PolarHBondContact O-N 3.43Å; L161-G165 PolarHBondContact O-N 2.87Å; L161-L166 CarbonylContact C-O 3.58Å; L161-L166 WeakPolarHBondContact CB-O 3.24Å; L161-L166 HydrophobicContact CD2-CB 3.63Å; L161-L166 HydrophobicContact CD2-CD1 4.49Å; L161-L166 PolarHBondContact O-N 3.17Å; L161-D168 HydrophobicContact CD1-CB 3.7Å
162R79.3Confident70.5Confident194 Ų194112 Ų11273%0.73259%0.587SS**Hα-helixtrans-61.3-39.5175.9-172.5173.3-175.1142.10.3113.1L158 W159 V160 G165L158-R162 VanDerWaalsContact O-CB 3.31Å; L158-R162 WeakPolarHBondContact O-CB 3.38Å; L158-R162 PolarHBondContact O-N 3.48Å; W159-R162 PolarHBondContact O-N 3.05Å; V160-R162 PolarHBondContact O-N 2.83Å; R162-G165 PolarHBondContact O-N 3.31Å
163M81.4Confident70.3Confident129 Ų129109.9 Ų109.964%0.63557%0.568SS**Hα-helixtrans-70-31.4177-75.4-63-59.700113W159 V160 L161W159-M163 HydrophobicContact CD2-CG 4.1Å; W159-M163 HydrophobicContact CE3-CG 4.42Å; W159-M163 HydrophobicContact CH2-CG 4.19Å; W159-M163 HydrophobicContact CZ2-CG 3.84Å; W159-M163 HydrophobicContact CZ2-SD 4.3Å; W159-M163 HydrophobicContact CZ3-CG 4.46Å; W159-M163 WeakPolarHBondContact O-CB 3.21Å; W159-M163 WeakPolarHBondContact O-CG 3.32Å; W159-M163 PolarHBondContact O-N 3.23Å; V160-M163 PolarHBondContact O-N 3.4Å; L161-M163 PolarHBondContact O-N 2.91Å
164L82.1Confident70.1Confident118 Ų118108.5 Ų108.562%0.61857%0.572SS**Hα-helixtrans-89-1.9178.1-65.3175.3000113.3V160 L161 L166V160-L164 HydrophobicContact CG1-CD1 3.73Å; V160-L164 HydrophobicContact CG1-CG 4.39Å; V160-L164 WeakPolarHBondContact O-CB 3.19Å; V160-L164 VanDerWaalsContact O-CG 3.3Å; V160-L164 WeakPolarHBondContact O-CG 3.48Å; V160-L164 PolarHBondContact O-N 3.28Å; L161-L164 CarbonylContact O-C 3.59Å; L161-L164 PolarHBondContact O-N 3.43Å; L164-L166 HydrophobicContact CB-CB 4.5Å; L164-L166 HydrophobicContact CB-CD1 4Å; L164-L166 HydrophobicContact CB-CG 3.96Å; L164-L166 HydrophobicContact CD1-CD1 4.28Å; L164-L166 PolarHBondContact O-N 3.1Å
165G78.9Confident69.7Low71 Ų71109.3 Ų109.373%0.73258%0.579SS**THydrogen-bonded Turntrans66.118.4-174.100000113.5L161 R162L161-G165 PolarHBondContact O-N 2.87Å; R162-G165 PolarHBondContact O-N 3.31Å
166L78Confident68.6Low104 Ų104111.4 Ų111.455%0.54559%0.594SS.*  trans-95.9144.1177.8-60.1176.9000108.5L161 L164L161-L166 CarbonylContact C-O 3.58Å; L161-L166 WeakPolarHBondContact CB-O 3.24Å; L161-L166 HydrophobicContact CD2-CB 3.63Å; L161-L166 HydrophobicContact CD2-CD1 4.49Å; L161-L166 PolarHBondContact O-N 3.17Å; L164-L166 HydrophobicContact CB-CB 4.5Å; L164-L166 HydrophobicContact CB-CD1 4Å; L164-L166 HydrophobicContact CB-CG 3.96Å; L164-L166 HydrophobicContact CD1-CD1 4.28Å; L164-L166 PolarHBondContact O-N 3.1Å
167K78.6Confident67.6Low129 Ų129113.6 Ų113.656%0.56160%0.6SS**  trans-109.8137179-173.3163171.4170.50109.2Q169 T171 D173K167-Q169 PolarHBondContact O-N 3.42Å; K167-T171 WeakPolarHBondContact CE-O 3.37Å; K167-D173 WeakPolarHBondContact CE-OD2 3.48Å; K167-D173 IonicContact NZ-OD2 2.64Å; K167-D173 PolarHBondContact NZ-OD2 3.48Å
168D71.4Confident66Low57 Ų57113.3 Ų113.331%0.30561%0.608SS.*  trans-67.2132.3172.1-179.447.6000109.3L161 N170 T171L161-D168 HydrophobicContact CD1-CB 3.7Å; D168-N170 PolarHBondContact O-N 2.99Å; D168-N170 VanDerWaalsContact O-N 3.08Å; D168-N170 WeakPolarHBondContact OD2-CB 3.29Å; D168-N170 PolarHBondContact OD2-N 3.37Å; D168-T171 PolarHBondContact O-N 2.91Å; D168-T171 PolarHBondContact OD2-OG1 2.92Å
169Q61.1Low64.2Low186 Ų186119.1 Ų119.187%0.86963%0.633SS**THydrogen-bonded Turntrans-67-14.3-172-163.8156.76.500112.7K167K167-Q169 PolarHBondContact O-N 3.42Å
170N61.5Low62.2Low137 Ų137118 Ų11873%0.73365%0.647SS**THydrogen-bonded Turntrans-98.8-2.1178.6-46.8-54.1000113.3D168 I172D168-N170 PolarHBondContact O-N 2.99Å; D168-N170 VanDerWaalsContact O-N 3.08Å; D168-N170 WeakPolarHBondContact OD2-CB 3.29Å; D168-N170 PolarHBondContact OD2-N 3.37Å; N170-I172 PolarHBondContact O-N 2.95Å
171T56.1Low60.1Low51 Ų51120.4 Ų120.431%0.31367%0.667SS.*  trans-99.379.6179.1-46.10000109.4K167 D168 D173K167-T171 WeakPolarHBondContact CE-O 3.37Å; D168-T171 PolarHBondContact O-N 2.91Å; D168-T171 PolarHBondContact OD2-OG1 2.92Å; T171-D173 PolarHBondContact O-N 2.99Å; T171-D173 VanDerWaalsContact O-N 3.16Å
172I47.7Very low58Low144 Ų144126.6 Ų126.674%0.73870%0.699SS**  trans-72.3105.7166.3-45.1172.3000106.1N170 T174N170-I172 PolarHBondContact O-N 2.95Å; I172-T174 PolarHBondContact O-N 3.35Å
173D44.7Very low56.2Low91 Ų91127.3 Ų127.349%0.48771%0.707SS.*  trans-61.4103.2169-75.4-42.4000108.2K167 T171 S175K167-D173 WeakPolarHBondContact CE-OD2 3.48Å; K167-D173 IonicContact NZ-OD2 2.64Å; K167-D173 PolarHBondContact NZ-OD2 3.48Å; T171-D173 PolarHBondContact O-N 2.99Å; T171-D173 VanDerWaalsContact O-N 3.16Å; D173-S175 PolarHBondContact O-N 2.86Å
174T42.1Very low53.9Low139 Ų139128.5 Ų128.585%0.85372%0.717SS**  trans-89.932.6170.357.40000111.8I172I172-T174 PolarHBondContact O-N 3.35Å
175S46.9Very low51.9Low104 Ų104131 Ų13173%0.72773%0.73SS**  trans-106.98.8177.562.10000113.9D173 E177D173-S175 PolarHBondContact O-N 2.86Å; S175-E177 PolarHBondContact O-N 2.92Å
176S49.8Very low50.1Low100 Ų100133.9 Ų133.970%0.69973%0.733SS**  trans-97.845-175.572.10000114.8
177E48.9Very low47.9Very low182 Ų182138.9 Ų138.985%0.8575%0.746SS**  trans-150.7100166-68-163.413800110.9S175S175-E177 PolarHBondContact O-N 2.92Å
178S45.3Very low45.6Very low116 Ų116138.8 Ų138.881%0.81176%0.76SS**SBendtrans166.959.5144.9-740000112.3
179E41.5Very low43.6Very low201 Ų201143 Ų14394%0.93978%0.783SS**SBendtrans-14753.3163.8-78.2-76.2137.200108.9
180S39.2Very low42.3Very low121 Ų121137.1 Ų137.185%0.84677%0.766SS**SBendtrans-153.156.1168.468.90000112
181S42.7Very low41Very low113 Ų113140.7 Ų140.779%0.7978%0.775SS**  trans-159.896.1160.7-171.60000107.8
182L40.7Very low39.7Very low172 Ų172142.1 Ų142.190%0.90180%0.8SS**SBendtrans-179.827.7153.9-99.4-179.4000114.6
183K41.3Very low39.1Very low208 Ų208140.7 Ų140.790%0.90480%0.802SS**SBendtrans-139.762.9169.9-66.5-172.4-177.9178.20111.5
184D33Very low39.3Very low155 Ų155141.7 Ų141.783%0.82981%0.814SS**  trans-153.855.6162.2-147.624.3000112.5
185L40.4Very low38.8Very low171 Ų171141 Ų14190%0.89581%0.809SS**  trans-144.652.5172.6-129.5143.4000111.1
186V41.2Very low38.1Very low130 Ų130141.4 Ų141.479%0.78881%0.812SS**SBendtrans-145.5122.7157.7179.50000107.3
187Y31.9Very low37.4Very low209 Ų209143.1 Ų143.182%0.8282%0.819SS**  trans91.279.4171.2-106.5-94000118.9
188C31.3Very low37.9Very low128 Ų128140.2 Ų140.287%0.86582%0.816SS**  trans-122.1107.4142.9-89.20000108.5
189D28.6Very low37Very low146 Ų146139.9 Ų139.978%0.78181%0.813SS**  trans179.4135.7149-104.1-8000106
190A33.5Very low36.7Very low62 Ų62135.4 Ų135.451%0.51280%0.804SS.*  cis-169.4165.1-3.200000108.6
191F33.8Very low36.3Very low212 Ų212135.6 Ų135.693%0.9380%0.8SS**  trans76.5120159.1-57.7-72.4000121.2
192G29.2Very low36Very low80 Ų80138.3 Ų138.383%0.82580%0.8SS**  trans124.778.313800000117
193S34.1Very low35.5Very low114 Ų114135.5 Ų135.580%0.79779%0.794SS**  trans-78.9154.5146.6-1490000107.9
194P49.9Very low35Very low113 Ų113134.4 Ų134.473%0.73479%0.786SS**  -150.9156.978.740.4-21.3000117.1
195V32.1Very low34.9Very low124 Ų124133.1 Ų133.175%0.75279%0.788SS**  trans62116.1133.8158.40000120.3
196S30.8Very low34.5Very low113 Ų113133.1 Ų133.179%0.7978%0.783SS**  178.5130.6108.7-73.10000112.7
197T36Very low34.1Very low136 Ų136133.5 Ų133.583%0.83479%0.786SS**  trans-128.5177.8161.335.60000106.9
198P59.1Low34Very low121 Ų121127.5 Ų127.579%0.78678%0.779SS**  cis-135.4177.3-39.734.6-16.8000112.1
199S27.2Very low34.1Very low109 Ų109126.6 Ų126.676%0.76278%0.781SS**  trans-166.9115.3154.5-165.70000109.6
200S34.6Very low34.2Very low106 Ų106123.6 Ų123.674%0.74179%0.785SS**  57.6127.289.5-146.40000112.1
201V31.2Very low34.1Very low125 Ų125129 Ų12976%0.75880%0.799SS**  -163.3140.757175.80000109.9
202H35.9Very low34.1Very low171 Ų171125.8 Ų125.879%0.79280%0.797SS**  trans-78.1128.8164.2177.973.8000109.9
203S29.6Very low34.2Very low112 Ų112128 Ų12878%0.78379%0.79SS**  trans-139.2131.9165.9-171.60000112.7
204Y31.1Very low34.2Very low186 Ų186131 Ų13173%0.72979%0.791SS**  trans-61.8156.7176.8-134.1-111.2000113.3
205C31.3Very low34Very low128 Ų128131.1 Ų131.187%0.86579%0.792SS**  -178.5113122.3-910000111.6
206Q32.8Very low34Very low170 Ų170130.3 Ų130.379%0.79479%0.792SS**  trans-106.1170.2150.5-85-175.514.100108.7
207T31.5Very low34.1Very low139 Ų139130.6 Ų130.685%0.85379%0.794SS**  trans100.2134163.8-49.80000113.6
208A30.8Very low33.9Very low82 Ų82133 Ų13368%0.67880%0.795SS**  cis-163.6149.2-2.600000108.8
209A33.3Very low32.6Very low110 Ų110130.4 Ų130.491%0.90979%0.791SS**  54.8126.4113.100000118.6
210G30.9Very low32.7Very low83 Ų83132 Ų13286%0.85680%0.796SS**  trans-169.392.9169.900000110.6
211E31.1Very low32.8Very low175 Ų175136.3 Ų136.382%0.81880%0.802SS**  trans-77.7136.9176.5177.3-173.7163.400111.1
212T33Very low33.7Very low145 Ų145136.6 Ų136.689%0.8981%0.807SS**  trans-165138.5143.8-27.80000112.6
213D31Very low33.5Very low125 Ų125133 Ų13367%0.66881%0.806SS**  trans-70.5155.2-178.9-69-67.9000117.9
214H34.5Very low33.8Very low177 Ų177137.8 Ų137.882%0.81981%0.807SS**  trans10.7162.4142-74.5-59.5000122.7
215P47.3Very low34.5Very low117 Ų117135 Ų13576%0.7681%0.811SS**  cis-148.7168.132.139-16000120.4
216S31Very low34.9Very low106 Ų106131.3 Ų131.374%0.74179%0.79SS**  trans33.5129.6140.3-166.40000123.2
217S33.6Very low35.3Very low119 Ų119129.4 Ų129.483%0.83279%0.793SS**  -161.6150.1127.5-153.80000113.8
218E32.2Very low35.3Very low186 Ų186129 Ų12987%0.86979%0.791SS**  trans-82.9169.1-163-63.1165.911800116.3
219G30.2Very low35Very low67 Ų67130.8 Ų130.869%0.69180%0.796SS**  trans159.579.4158.200000113.5
220T30.8Very low34.9Very low142 Ų142130.9 Ų130.987%0.87179%0.791SS**  76.4110.8100.5-56.40000115.7
221F35.6Very low34.8Very low198 Ų198130.5 Ų130.587%0.86879%0.787SS**  trans-73.9171.5168.4-63.4-90.2000112.4
222P51.1Low35.6Very low131 Ų131128 Ų12885%0.85179%0.786SS**  -145.5179.981.532-9.1000116
223A30.8Very low35.5Very low95 Ų95128.2 Ų128.279%0.78579%0.787SS**  trans-80.5161.3-16200000118.5
224R35.3Very low35.4Very low213 Ų213125.8 Ų125.880%0.80479%0.791SS**  trans10.3154.2141.9-130.4-162.2169.3-163.51120
225P47.4Very low35.2Very low126 Ų126122.3 Ų122.382%0.81879%0.792SS**  -144.5166.679.533-12.7000116.2
226A38.9Very low34.4Very low51 Ų51123.9 Ų123.942%0.42179%0.794SS.*  trans-76.917417000000112.7
227P41.5Very low35Very low131 Ų131124.3 Ų124.385%0.85179%0.794SS**  trans-124.4133.2144.733.5-21.3000112.7
228T30.6Very low34.7Very low131 Ų131123.2 Ų123.280%0.80479%0.787SS**  trans-112.5134.5162.5-32.60000106.9
229C25.7Very low34.7Very low118 Ų118120 Ų12080%0.79778%0.784SS**  trans-174.3114.1149-95.90000107.8
230S31.3Very low34.6Very low113 Ų113121 Ų12179%0.7979%0.786SS**  86.4119.687.8-58.80000112.6
231G28.4Very low34.7Very low75 Ų75122.1 Ų122.177%0.77379%0.786SS**  trans-69.5-165-169.600000117.2
232P46.8Very low34.4Very low123 Ų123118.1 Ų118.180%0.79978%0.778SS**  -149.41646536.5-15.2000118.5
233V31.8Very low33.3Very low149 Ų149120.6 Ų120.690%0.90378%0.778SS**  trans33.9121.3138-170.20000120.3
234G28.4Very low33.2Very low73 Ų73123.5 Ų123.575%0.75378%0.779SS**  trans-174.694.7160.900000115
235A30.1Very low32.8Very low104 Ų104119.3 Ų119.386%0.8678%0.781SS**  trans54.6122.6146.100000122.9
236L31.2Very low31.8Very low150 Ų150118.5 Ų118.579%0.78578%0.778SS**  trans-50.8173.8155.8-90.1125000114.5
237P43.3Very low31.4Very low115 Ų115122.3 Ų122.375%0.74780%0.797SS**  cis-134153.529.134.2-11.9000116
238S27.8Very low30.9Very low97 Ų97128.3 Ų128.368%0.67880%0.802SS**  60.396.771.9-1310000115.3
239S31.3Very low30.7Very low117 Ų117125.8 Ų125.882%0.81880%0.803SS**  trans-14797.1155.9-62.40000105.6
240A28.9Very low31.3Very low89 Ų89127 Ų12774%0.73681%0.806SS**  50.192.774.200000113.2
241L32Very low31.3Very low166 Ų166130.5 Ų130.587%0.86981%0.81SS**  trans-135.492.3148.2-78.3-178.4000109.1
242T30.1Very low31.3Very low114 Ų114134.1 Ų134.170%0.69981%0.81SS**  trans28116.9133.944.30000119.2
243E28.5Very low30.5Very low183 Ų183136.1 Ų136.186%0.85581%0.814SS**  trans-40.7133.5143.5-72.4-176.3135.300111.8
244I27.9Very low30.2Very low155 Ų155137.1 Ų137.180%0.79581%0.809SS**  trans-128.195.9146.2-58.1178.8000106.4S246I244-S246 PolarHBondContact O-N 2.92Å
245C27Very low30.4Very low126 Ų126138.7 Ų138.785%0.85181%0.808SS**  trans-70.2116.6155.4-109.30000107.7
246S26.6Very low30.4Very low109 Ų109141.6 Ų141.676%0.76281%0.809SS**  trans-146.2111.9153.4-157.90000111.3I244I244-S246 PolarHBondContact O-N 2.92Å
247T30.3Very low30.3Very low131 Ų131145.9 Ų145.980%0.80482%0.815SS**  trans-60.8135169.133.40000113.2
248R30.6Very low29.8Very low256 Ų256145.4 Ų145.497%0.96681%0.81SS**  trans124.5115.4149.6-84-178158.1177.8-4.8112.7
249G27.5Very low30Very low79 Ų79146.8 Ų146.881%0.81482%0.817SS**  trans169.395.1165.900000111
250V36.8Very low30.1Very low142 Ų142147.2 Ų147.286%0.86181%0.814SS**  trans-68.6127.5175.7-172.70000108.8
251Q31.5Very low30.2Very low187 Ų187151.8 Ų151.887%0.87482%0.821SS**  trans-168.5105.8157.9-104.3159.439.100108.9
252L29.8Very low30.2Very low151 Ų151150.1 Ų150.179%0.79181%0.809SS**  82.190.898.3-151.7101.5000110.8E254L252-E254 PolarHBondContact O-N 3.31Å
253L29Very low30.2Very low166 Ų166152 Ų15287%0.86981%0.813SS**  trans-75.599.8174.8-176.368.6000108.4S255L253-S255 PolarHBondContact O-N 3.22Å
254E26.5Very low30.2Very low170 Ų170149 Ų14979%0.79481%0.811SS**  trans-68.1112.8163.4-76.9-165.914500109L252L252-E254 PolarHBondContact O-N 3.31Å
255S32.7Very low30.2Very low105 Ų105149.4 Ų149.473%0.73481%0.808SS**  trans-91.9113.8170.653.60000109.5L253 W257L253-S255 PolarHBondContact O-N 3.22Å; S255-W257 PolarHBondContact O-N 3.2Å
256N28.8Very low30.2Very low166 Ų166150.2 Ų150.289%0.88881%0.809SS**  trans-43.9124.8170-62.8-35.7000112.6
257W28.6Very low30.3Very low239 Ų239150.8 Ų150.891%0.90581%0.813SS**  trans-108.4128.8169.8-169.6-90.1000109.9S255S255-W257 PolarHBondContact O-N 3.2Å
258T34.6Very low30.2Very low106 Ų106156.3 Ų156.365%0.6582%0.819SS**  trans-92.2141.9171.449.10000110.2T260T258-T260 PolarHBondContact O-N 3.35Å
259P31.4Very low30.1Very low126 Ų126149.6 Ų149.682%0.81881%0.811SS**  trans-79.2120.9179.930.9-29.8000110.6
260T33.1Very low30.1Very low125 Ų125151 Ų15177%0.76781%0.809SS**  trans-104.4127.5166.8-57.40000109T258T258-T260 PolarHBondContact O-N 3.35Å
261E31.5Very low29.7Very low186 Ų186150.1 Ų150.187%0.86981%0.809SS**  trans-39.1135.8176.5-67-95.3125.800114.7
262Q30.7Very low29.4Very low131 Ų131145.1 Ų145.161%0.61281%0.807SS**  trans-85.7120.4176.8-74-175.8-26.300111R66R66-Q262 VanDerWaalsContact NH1-NE2 3.16Å; R66-Q262 VanDerWaalsContact NH2-NE2 3.14Å
263L31.1Very low29.3Very low153 Ų153143.9 Ų143.980%0.80181%0.811SS**  trans-90.4112.8157-73.8172.3000108.9F265L263-F265 HydrophobicContact CB-CE2 4.47Å
264C28.9Very low29.2Very low119 Ų119142 Ų14280%0.80481%0.806SS**  trans-72.1123.2172.2-69.10000110.5
265F26.5Very low29.3Very low165 Ų165141.2 Ų141.272%0.72481%0.806SS**  trans-106.2120.9165.2-75.9-80.6000109.8L263L263-F265 HydrophobicContact CB-CE2 4.47Å
266T28.3Very low29Very low142 Ų142142 Ų14287%0.87180%0.802SS**  trans-95.2119.4163.948.60000109.3
267S28.6Very low28.9Very low121 Ų121142.5 Ų142.585%0.84680%0.797SS**  trans-77.5135.4172.3-61.80000111.1
268R28.1Very low28.8Very low248 Ų248135.9 Ų135.994%0.93679%0.787SS**  trans-132.7114.8162.6-151.6175.6-159.6-134.13.6109.9
269S28.6Very low28.4Very low114 Ų114139 Ų13980%0.79779%0.794SS**  trans-85.5136.4168.2-62.10000109.8
270S27.6Very low28.2Very low110 Ų110138.2 Ų138.277%0.76979%0.787SS**  -179.3135.7121.961.60000113.7
271S27.9Very low27.8Very low123 Ų123137.1 Ų137.186%0.8678%0.784SS**  trans55.4118135.4-530000120.9
272G25.1Very low27.6Very low81 Ų81133.1 Ų133.184%0.83578%0.777SS**  trans-95.4-172.7178.200000116.2
273S27.6Very low27.4Very low125 Ų125132.6 Ų132.687%0.87479%0.787SS**  trans-162.7158.8145.981.70000110.2
274V26.9Very low27.1Very low127 Ų127128.4 Ų128.477%0.7778%0.782SS**  trans-91.2139.5-169.6173.30000110.7
275L29.1Very low27.1Very low153 Ų153128.7 Ų128.780%0.80178%0.783SS**  trans-174.8122.2133.1-126.782.1000114.8
276N25.6Very low27.1Very low121 Ų121126.3 Ų126.365%0.64779%0.787SS**  trans51.7118.3131.7-93.6-22.1000124.6
277K26.8Very low27.4Very low178 Ų178124.3 Ų124.377%0.77479%0.785SS**  80.6132114.7-93.8-178.8179.7-176.70122.5
278S27Very low27.4Very low100 Ų100126.7 Ų126.770%0.69979%0.785SS**  trans81.9143.5144.9-54.80000116.1
279Q26.6Very low28Very low171 Ų171120.1 Ų120.180%0.79978%0.777SS**  cis-176159.6-12-134.5179.6-101.100105.2
280V26.4Very low28.1Very low110 Ų110119.6 Ų119.667%0.66777%0.773SS**  trans79.6102.9144.5172.10000119.6
281S24.5Very low28.6Very low101 Ų101123.3 Ų123.371%0.70678%0.778SS**  88.7128.2114.1-57.80000124
282S26.7Very low28.6Very low103 Ų103120.9 Ų120.972%0.7276%0.761SS**  trans92.3123.9130.180.40000120.3
283S28.1Very low29.3Very low119 Ų119125.3 Ų125.383%0.83277%0.765SS**  trans59.9136.314063.90000117.6
284G24.8Very low29.6Very low66 Ų66126.8 Ų126.868%0.6876%0.758SS**  cis170.8155.29.700000108.1
285C27.7Very low30.1Very low124 Ų124129.7 Ų129.784%0.83876%0.76SS**  trans34.7115.8149.7-500000119.3
286S26.5Very low30.6Very low115 Ų115128.3 Ų128.380%0.80476%0.76SS**  165.7132.392.5-71.60000111.3
287A35.3Very low31.5Very low100 Ų100128.4 Ų128.483%0.82677%0.765SS**  trans-63.6129.4168.500000110.4
288M27.8Very low32.5Very low171 Ų171126.7 Ų126.784%0.84277%0.765SS**  trans-132.3111.6150.5-73.7-146.575.800108.8S290M288-S290 PolarHBondContact O-N 2.88Å
289S41.6Very low33.7Very low110 Ų110128.6 Ų128.677%0.76977%0.766SS**  trans-55.5115.2163.9177.30000108.8
290S29.8Very low35.2Very low103 Ų103122.4 Ų122.472%0.7274%0.744SS**  trans-122.797.7168.2-600000106.7M288 S292M288-S290 PolarHBondContact O-N 2.88Å; S290-S292 VanDerWaalsContact C-N 3.31Å; S290-S292 PolarHBondContact O-N 3.21Å
291Q38.9Very low36.5Very low188 Ų188122.9 Ų122.988%0.87974%0.738SS**  trans-58.899.1165.3-69.5-177.1-3.100107.7L293Q291-L293 PolarHBondContact O-N 3.13Å
292S27.7Very low38.2Very low72 Ų72121.1 Ų121.150%0.50373%0.725SS.*  trans-79.6114.2170.3167.20000108S290 H294S290-S292 VanDerWaalsContact C-N 3.31Å; S290-S292 PolarHBondContact O-N 3.21Å; S292-H294 VanDerWaalsContact CB-NE2 3.28Å; S292-H294 WeakPolarHBondContact CB-NE2 3.43Å; S292-H294 PolarHBondContact O-CD2 3.43Å; S292-H294 PolarHBondContact O-N 2.91Å; S292-H294 PolarHBondContact OG-CD2 2.91Å; S292-H294 PolarHBondContact OG-CE1 3.49Å; S292-H294 PolarHBondContact OG-NE2 3.21Å
293L41.1Very low40.5Very low174 Ų174121.8 Ų121.891%0.91172%0.719SS**  trans-60.978.8169-172.478.5000109Q291 K295Q291-L293 PolarHBondContact O-N 3.13Å; L293-K295 PolarHBondContact O-N 3.41Å
294H32.3Very low42.2Very low156 Ų156119.2 Ų119.272%0.72270%0.7SS**  trans-78.4118.2172.2-69.7-71.3000108.5S292S292-H294 VanDerWaalsContact CB-NE2 3.28Å; S292-H294 WeakPolarHBondContact CB-NE2 3.43Å; S292-H294 PolarHBondContact O-CD2 3.43Å; S292-H294 PolarHBondContact O-N 2.91Å; S292-H294 PolarHBondContact OG-CD2 2.91Å; S292-H294 PolarHBondContact OG-CE1 3.49Å; S292-H294 PolarHBondContact OG-NE2 3.21Å
295K39Very low44.2Very low189 Ų189121.9 Ų121.982%0.82270%0.698SS**  trans-44.6132.9163.7-65174.4178.7177.90108.2L293 T297L293-K295 PolarHBondContact O-N 3.41Å; K295-T297 PolarHBondContact O-N 3.19Å
296P39.6Very low45.5Very low124 Ų124118.4 Ų118.481%0.80568%0.676SS**  trans-65.4116.1-173.826.1-30.9000108D298P296-D298 PolarHBondContact O-N 3.48Å
297T42.6Very low46.7Very low123 Ų123119.9 Ų119.976%0.75568%0.682SS**  trans-54113.3156.1-48.20000105.2K295 L299K295-T297 PolarHBondContact O-N 3.19Å; T297-L299 VanDerWaalsContact C-N 3.3Å; T297-L299 PolarHBondContact O-N 3.4Å
298D48.3Very low47.7Very low142 Ų142120.7 Ų120.776%0.75968%0.682SS**  trans-55.297.8178.2-167.515000107.5P296 A300P296-D298 PolarHBondContact O-N 3.48Å; D298-A300 PolarHBondContact O-N 3.23Å
299L53.4Low49.4Very low139 Ų139115 Ų11573%0.72866%0.659SS**  trans-7585.2-174.6-150.788.3000105.1T297 F301T297-L299 VanDerWaalsContact C-N 3.3Å; T297-L299 PolarHBondContact O-N 3.4Å; L299-F301 PolarHBondContact O-N 3.19Å
300A57.8Low50.7Low41 Ų41113.5 Ų113.534%0.33965%0.648SS.*  trans-59.9-9.8-168.300000114.1D298D298-A300 PolarHBondContact O-N 3.23Å
301F53.4Low53Low120 Ų120109.9 Ų109.953%0.52662%0.622SS.*  trans-142.8119.7179.9-48.3-70.2000112L299 S315 F316L299-F301 PolarHBondContact O-N 3.19Å; F301-S315 WeakPolarHBondContact CA-O 3.32Å; F301-F316 AromaticContact CD1-CD1 3.52Å; F301-F316 HydrophobicContact CD1-CD1 3.52Å; F301-F316 AromaticContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CG 4.12Å; F301-F316 HydrophobicContact CD1-CZ 4.41Å; F301-F316 AromaticContact CE1-CD1 3.23Å; F301-F316 HydrophobicContact CE1-CD1 3.23Å; F301-F316 AromaticContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CG 4.1Å; F301-F316 HydrophobicContact CZ-CD1 4.41Å
302S60.4Low55.1Low64 Ų64104.8 Ų104.845%0.44860%0.597SS.*EExtended strand (participates in β ladder)trans-106.9138.2169.269.30000110.1S315S302-S315 PolarHBondContact O-N 3.49Å; S302-S315 VanDerWaalsContact OG-CB 3.24Å; S302-S315 WeakPolarHBondContact OG-CB 3.49Å; S302-S315 PolarHBondContact OG-OG 2.97Å; S302-S315 VanDerWaalsContact OG-OG 3.11Å
303M74Confident57.9Low118 Ų118102 Ų10258%0.58158%0.577SS**EExtended strand (participates in β ladder)trans-121.5125.5178.9-176.6178.56900110.9K312 T313M303-K312 HydrophobicContact CG-CG 4.21Å; M303-K312 HydrophobicContact SD-CD 4.24Å; M303-K312 WeakPolarHBondContact SD-CE 3.35Å; M303-K312 HydrophobicContact SD-CG 4.24Å; M303-T313 WeakPolarHBondContact CA-O 3.33Å
304S65.2Low60.2Low64 Ų6495.6 Ų95.645%0.44854%0.542SS..EExtended strand (participates in β ladder)trans-124.9136.3175.962.50000111.1T313S304-T313 PolarHBondContact N-O 3.38Å; S304-T313 PolarHBondContact O-N 3.01Å; S304-T313 VanDerWaalsContact O-N 3.08Å
305L65.2Low62.8Low122 Ų12289.5 Ų89.564%0.63952%0.518SS*.EExtended strand (participates in β ladder)trans-104.6126.6171-58.5179.7000108K312L305-K312 HydrophobicContact CD2-CB 3.91Å; L305-K312 HydrophobicContact CD2-CG 3.83Å
306S56Low65Low52 Ų5283.8 Ų83.836%0.36449%0.493SS..  trans-79.4125.8173.7-68.30000109.4S308 S309S306-S308 PolarHBondContact O-N 3.17Å; S306-S309 PolarHBondContact O-N 3.35Å
307P52.4Low67.2Low145 Ų14581.6 Ų81.694%0.94248%0.479SS*.THydrogen-bonded Turntrans-60.5-21.2-177.1-2634.8000114.9
308S56.2Low69.3Low117 Ų11781.7 Ų81.782%0.81847%0.47SS*.THydrogen-bonded Turntrans-98.8-4.7-175.7510000114.5S306S306-S308 PolarHBondContact O-N 3.17Å
309S63.4Low71.3Confident53 Ų5375 Ų7537%0.37144%0.435SS..SBendtrans-151.1144.517961.80000111S306 V311S306-S309 PolarHBondContact O-N 3.35Å; S309-V311 PolarHBondContact O-N 3.27Å; S309-V311 VanDerWaalsContact OG-CG2 3.22Å; S309-V311 WeakPolarHBondContact OG-CG2 3.44Å
310S68.7Low73.1Confident77 Ų7772.3 Ų72.354%0.53842%0.419SS..  trans-69.231.4175570000113K325S310-K325 PolarHBondContact OG-O 3.4Å; S310-K325 VanDerWaalsContact OG-O 3.09Å
311V76.9Confident74.8Confident28 Ų2870.6 Ų70.617%0.1740%0.404CS..EExtended strand (participates in β ladder)trans-88.7118.4-179.7-177.40000108.5S309 F322 I323 R324S309-V311 PolarHBondContact O-N 3.27Å; S309-V311 VanDerWaalsContact OG-CG2 3.22Å; S309-V311 WeakPolarHBondContact OG-CG2 3.44Å; V311-F322 HydrophobicContact CG1-CB 4.49Å; V311-F322 HydrophobicContact CG1-CD1 4.4Å; V311-I323 CarbonylContact C-O 3.52Å; V311-I323 VanDerWaalsContact CA-O 3.32Å; V311-I323 WeakPolarHBondContact CA-O 3.23Å; V311-R324 HydrophobicContact CB-CB 4.35Å; V311-R324 HydrophobicContact CG2-CB 3.71Å
312K84.6Confident76.5Confident80 Ų8067.7 Ų67.735%0.34839%0.392SS..EExtended strand (participates in β ladder)trans-99.5118.7171.9-173.1-177.8-170.7-165.30108.4M303 L305 H314 I323M303-K312 HydrophobicContact CG-CG 4.21Å; M303-K312 HydrophobicContact SD-CD 4.24Å; M303-K312 WeakPolarHBondContact SD-CE 3.35Å; M303-K312 HydrophobicContact SD-CG 4.24Å; L305-K312 HydrophobicContact CD2-CB 3.91Å; L305-K312 HydrophobicContact CD2-CG 3.83Å; K312-H314 VanDerWaalsContact CD-NE2 3.28Å; K312-H314 WeakPolarHBondContact CD-NE2 3.47Å; K312-H314 WeakPolarHBondContact CE-CE1 3.31Å; K312-H314 WeakPolarHBondContact CE-NE2 3.44Å; K312-H314 PolarHBondContact NZ-NE2 3.28Å; K312-I323 HydrophobicContact CB-CB 4.33Å; K312-I323 PolarHBondContact N-O 3.19Å; K312-I323 PolarHBondContact O-N 3.3Å
313T86.4Confident78Confident14 Ų1466.9 Ų66.99%0.08638%0.382CS..EExtended strand (participates in β ladder)trans-102.6134177.4-52.20000109.3M303 S304 A321 F322M303-T313 WeakPolarHBondContact CA-O 3.33Å; S304-T313 PolarHBondContact N-O 3.38Å; S304-T313 PolarHBondContact O-N 3.01Å; S304-T313 VanDerWaalsContact O-N 3.08Å; T313-A321 CarbonylContact C-O 3.55Å; T313-A321 WeakPolarHBondContact CA-O 3.42Å; T313-F322 HydrophobicContact CG2-CD1 3.79Å; T313-F322 HydrophobicContact CG2-CE1 3.5Å; T313-F322 HydrophobicContact CG2-CZ 4.17Å; T313-F322 WeakPolarHBondContact OG1-CD1 3.36Å
314H87.4Confident78.7Confident39 Ų3967.9 Ų67.918%0.18138%0.379CS..EExtended strand (participates in β ladder)trans-120.8121.2174.1-67-89.3000108.7K312 F316 Q320 A321K312-H314 VanDerWaalsContact CD-NE2 3.28Å; K312-H314 WeakPolarHBondContact CD-NE2 3.47Å; K312-H314 WeakPolarHBondContact CE-CE1 3.31Å; K312-H314 WeakPolarHBondContact CE-NE2 3.44Å; K312-H314 PolarHBondContact NZ-NE2 3.28Å; H314-F316 HydrophobicContact CB-CD2 4.34Å; H314-F316 HydrophobicContact CB-CE2 3.46Å; H314-F316 VanDerWaalsContact CB-CE2 3.46Å; H314-F316 HydrophobicContact CB-CZ 4Å; H314-F316 WeakPolarHBondContact O-CD2 3.24Å; H314-Q320 WeakPolarHBondContact O-CA 3.43Å; H314-A321 HydrophobicContact CB-CB 4.24Å; H314-A321 PolarHBondContact N-O 3.13Å; H314-A321 PolarHBondContact O-N 3.28Å
315S86.9Confident79.7Confident29 Ų2969.5 Ų69.520%0.20338%0.378CS..EExtended strand (participates in β ladder)trans-95.2135.7175.3-56.70000110.4F301 S302F301-S315 WeakPolarHBondContact CA-O 3.32Å; S302-S315 PolarHBondContact O-N 3.49Å; S302-S315 VanDerWaalsContact OG-CB 3.24Å; S302-S315 WeakPolarHBondContact OG-CB 3.49Å; S302-S315 PolarHBondContact OG-OG 2.97Å; S302-S315 VanDerWaalsContact OG-OG 3.11Å
316F86.1Confident80.5Confident69 Ų6966.3 Ų66.330%0.30336%0.362SS..EExtended strand (participates in β ladder)trans-127.3157.4175.9-59.3-104.2000108.6F301 H314 Q318 G319 A321 W335F301-F316 AromaticContact CD1-CD1 3.52Å; F301-F316 HydrophobicContact CD1-CD1 3.52Å; F301-F316 AromaticContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CE1 3.63Å; F301-F316 HydrophobicContact CD1-CG 4.12Å; F301-F316 HydrophobicContact CD1-CZ 4.41Å; F301-F316 AromaticContact CE1-CD1 3.23Å; F301-F316 HydrophobicContact CE1-CD1 3.23Å; F301-F316 AromaticContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CE1 3.57Å; F301-F316 HydrophobicContact CE1-CG 4.1Å; F301-F316 HydrophobicContact CZ-CD1 4.41Å; H314-F316 HydrophobicContact CB-CD2 4.34Å; H314-F316 HydrophobicContact CB-CE2 3.46Å; H314-F316 VanDerWaalsContact CB-CE2 3.46Å; H314-F316 HydrophobicContact CB-CZ 4Å; H314-F316 WeakPolarHBondContact O-CD2 3.24Å; F316-Q318 PolarHBondContact O-N 3.28Å; F316-G319 CarbonylContact C-O 3.17Å; F316-G319 WeakPolarHBondContact CA-O 3.46Å; F316-G319 WeakPolarHBondContact CB-O 3.22Å; F316-G319 PolarHBondContact N-O 2.95Å; F316-G319 PolarHBondContact O-N 3.11Å; F316-G319 VanDerWaalsContact O-N 3.17Å; F316-A321 HydrophobicContact CE2-CB 3.86Å; F316-W335 HydrophobicContact CB-CH2 3.99Å; F316-W335 HydrophobicContact CB-CZ3 4.42Å; F316-W335 AromaticContact CD2-CH2 4Å; F316-W335 HydrophobicContact CD2-CH2 4Å; F316-W335 AromaticContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CE2-CZ3 4.02Å; F316-W335 HydrophobicContact CG-CH2 4.06Å; F316-W335 HydrophobicContact CG-CZ3 4.07Å
317P85.1Confident81.8Confident78 Ų7871.5 Ų71.551%0.50639%0.391SS..THydrogen-bonded Turntrans-55-35.8172.8-26.134.7000112.9R338P317-R338 WeakPolarHBondContact O-CD 3.45Å
318Q86.7Confident83.3Confident124 Ų12468 Ų6858%0.57938%0.382SS*.THydrogen-bonded Turntrans-83.6-8.9-176.9-56.279.9800114F316 W335 R338F316-Q318 PolarHBondContact O-N 3.28Å; Q318-W335 HydrophobicContact CB-CH2 4.47Å; Q318-W335 HydrophobicContact CB-CZ2 4.19Å; Q318-R338 PolarHBondContact O-N 3.47Å
319G90.3Very high84.4Confident1 Ų164 Ų641%0.0136%0.359CS..EExtended strand (participates in β ladder)trans156.3-166.2-173.100000114.2F316 V336F316-G319 CarbonylContact C-O 3.17Å; F316-G319 WeakPolarHBondContact CA-O 3.46Å; F316-G319 WeakPolarHBondContact CB-O 3.22Å; F316-G319 PolarHBondContact N-O 2.95Å; F316-G319 PolarHBondContact O-N 3.11Å; F316-G319 VanDerWaalsContact O-N 3.17Å; G319-V336 CarbonylContact C-O 3.56Å; G319-V336 WeakPolarHBondContact CA-O 3.5Å
320Q92.3Very high85.5Confident84 Ų8469.8 Ų69.839%0.39337%0.373SS..EExtended strand (participates in β ladder)trans-127.3138.2-179.4-65.5-175.5-46.900110.7H314 F322 V336H314-Q320 WeakPolarHBondContact O-CA 3.43Å; Q320-F322 HydrophobicContact CB-CE2 3.82Å; Q320-F322 HydrophobicContact CB-CZ 4Å; Q320-V336 PolarHBondContact N-O 3.2Å; Q320-V336 PolarHBondContact O-N 3.44Å
321A92.3Very high86.3Confident5 Ų573.9 Ų73.94%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-110.5133.6172.100000110.7T313 H314 F316 F333 T334 W335T313-A321 CarbonylContact C-O 3.55Å; T313-A321 WeakPolarHBondContact CA-O 3.42Å; H314-A321 HydrophobicContact CB-CB 4.24Å; H314-A321 PolarHBondContact N-O 3.13Å; H314-A321 PolarHBondContact O-N 3.28Å; F316-A321 HydrophobicContact CE2-CB 3.86Å; A321-F333 HydrophobicContact CB-CE2 3.85Å; A321-F333 HydrophobicContact CB-CZ 4.11Å; A321-T334 CarbonylContact C-O 3.57Å; A321-T334 WeakPolarHBondContact CA-O 3.43Å; A321-W335 HydrophobicContact CB-CE3 3.81Å; A321-W335 HydrophobicContact CB-CZ3 4.08Å
322F90.7Very high86.8Confident59 Ų5975 Ų7526%0.25938%0.382SS..EExtended strand (participates in β ladder)trans-116.8128.8176-55.1-92000109.2V311 T313 Q320 F333 T334 V336V311-F322 HydrophobicContact CG1-CB 4.49Å; V311-F322 HydrophobicContact CG1-CD1 4.4Å; T313-F322 HydrophobicContact CG2-CD1 3.79Å; T313-F322 HydrophobicContact CG2-CE1 3.5Å; T313-F322 HydrophobicContact CG2-CZ 4.17Å; T313-F322 WeakPolarHBondContact OG1-CD1 3.36Å; Q320-F322 HydrophobicContact CB-CE2 3.82Å; Q320-F322 HydrophobicContact CB-CZ 4Å; F322-F333 CarbonylContact O-C 3.48Å; F322-F333 WeakPolarHBondContact O-CA 3.32Å; F322-T334 PolarHBondContact N-O 3.37Å; F322-T334 PolarHBondContact O-N 3.14Å; F322-V336 HydrophobicContact CD2-CG2 4.2Å; F322-V336 HydrophobicContact CE2-CB 4.3Å; F322-V336 HydrophobicContact CE2-CG2 3.73Å
323I90.7Very high87.2Confident47 Ų4777.7 Ų77.724%0.24139%0.394CS..EExtended strand (participates in β ladder)trans-121.6124178-56.8172.6000107.5V311 K312 W331 N332 F333V311-I323 CarbonylContact C-O 3.52Å; V311-I323 VanDerWaalsContact CA-O 3.32Å; V311-I323 WeakPolarHBondContact CA-O 3.23Å; K312-I323 HydrophobicContact CB-CB 4.33Å; K312-I323 PolarHBondContact N-O 3.19Å; K312-I323 PolarHBondContact O-N 3.3Å; I323-W331 HydrophobicContact CG2-CE3 3.73Å; I323-W331 HydrophobicContact CG2-CZ3 4.02Å; I323-N332 WeakPolarHBondContact CA-O 3.16Å; I323-F333 HydrophobicContact CG1-CD2 4.07Å
324R89.2Confident87.5Confident139 Ų13980.4 Ų80.453%0.52541%0.41SS..EExtended strand (participates in β ladder)trans-135.9145.9176.270179.8-178-177.6-0.8112V311 W331 N332V311-R324 HydrophobicContact CB-CB 4.35Å; V311-R324 HydrophobicContact CG2-CB 3.71Å; R324-W331 WeakPolarHBondContact O-CA 3.48Å; R324-N332 HydrophobicContact CG-CB 3.83Å; R324-N332 PolarHBondContact N-O 3.47Å; R324-N332 PolarHBondContact O-N 3.14Å
325K86.4Confident87.7Confident97 Ų9783.6 Ų83.642%0.42242%0.421SS..EExtended strand (participates in β ladder)trans-98.1122.5171.9-163.6175.5-179.6176.60109.1S310 G329 R330 W331S310-K325 PolarHBondContact OG-O 3.4Å; S310-K325 VanDerWaalsContact OG-O 3.09Å; K325-G329 WeakPolarHBondContact CE-O 3.46Å; K325-R330 WeakPolarHBondContact CA-O 3.44Å; K325-W331 HydrophobicContact CB-CD2 4.25Å; K325-W331 HydrophobicContact CB-CE3 3.82Å; K325-W331 HydrophobicContact CB-CH2 3.98Å; K325-W331 HydrophobicContact CB-CZ2 4.38Å; K325-W331 HydrophobicContact CB-CZ3 3.68Å; K325-W331 HydrophobicContact CD-CH2 4.06Å; K325-W331 HydrophobicContact CD-CZ2 3.8Å; K325-W331 HydrophobicContact CG-CD2 4.29Å; K325-W331 HydrophobicContact CG-CE3 4.35Å; K325-W331 HydrophobicContact CG-CH2 4.39Å; K325-W331 HydrophobicContact CG-CZ2 4.3Å; K325-W331 HydrophobicContact CG-CZ3 4.41Å
326D81.9Confident88Confident56 Ų5685.5 Ų85.530%0.29943%0.431SS..  trans-75.2171.9174.26920.2000112.1G328 G329 R330D326-G328 PolarHBondContact O-N 2.88Å; D326-G328 VanDerWaalsContact OD1-C 3.24Å; D326-G328 WeakPolarHBondContact OD1-CA 3.1Å; D326-G328 PolarHBondContact OD1-N 3.39Å; D326-G329 PolarHBondContact O-N 2.88Å; D326-G329 PolarHBondContact OD1-N 2.85Å; D326-R330 PolarHBondContact N-O 3.34Å; D326-R330 PolarHBondContact OD1-N 2.87Å; D326-R330 WeakPolarHBondContact OD2-CB 3.47Å
327T83.3Confident88.1Confident160 Ų16086 Ų8698%0.98244%0.441SS*.THydrogen-bonded Turntrans-67-18.7178.551.10000113G329T327-G329 VanDerWaalsContact C-N 3.3Å
328G83.4Confident88.2Confident72 Ų7291.3 Ų91.374%0.74245%0.451SS*.THydrogen-bonded Turntrans-84.3-1.317200000113.8D326D326-G328 PolarHBondContact O-N 2.88Å; D326-G328 VanDerWaalsContact OD1-C 3.24Å; D326-G328 WeakPolarHBondContact OD1-CA 3.1Å; D326-G328 PolarHBondContact OD1-N 3.39Å
329G80.3Confident87.7Confident34 Ų3494.4 Ų94.435%0.35147%0.466SS..SBendtrans82.54.5179.500000115.6K325 D326 T327K325-G329 WeakPolarHBondContact CE-O 3.46Å; D326-G329 PolarHBondContact O-N 2.88Å; D326-G329 PolarHBondContact OD1-N 2.85Å; T327-G329 VanDerWaalsContact C-N 3.3Å
330R85.1Confident86.8Confident174 Ų174103.1 Ų103.166%0.65751%0.506SS*.  trans-81140.8175.3173.7-162-55.1-89-0.1110.3K325 D326K325-R330 WeakPolarHBondContact CA-O 3.44Å; D326-R330 PolarHBondContact N-O 3.34Å; D326-R330 PolarHBondContact OD1-N 2.87Å; D326-R330 WeakPolarHBondContact OD2-CB 3.47Å
331W86.7Confident85.4Confident162 Ų162108.9 Ų108.961%0.61455%0.551SS**EExtended strand (participates in β ladder)trans-87.7131.3174.7-66.1102.5000110.5I323 R324 K325I323-W331 HydrophobicContact CG2-CE3 3.73Å; I323-W331 HydrophobicContact CG2-CZ3 4.02Å; R324-W331 WeakPolarHBondContact O-CA 3.48Å; K325-W331 HydrophobicContact CB-CD2 4.25Å; K325-W331 HydrophobicContact CB-CE3 3.82Å; K325-W331 HydrophobicContact CB-CH2 3.98Å; K325-W331 HydrophobicContact CB-CZ2 4.38Å; K325-W331 HydrophobicContact CB-CZ3 3.68Å; K325-W331 HydrophobicContact CD-CH2 4.06Å; K325-W331 HydrophobicContact CD-CZ2 3.8Å; K325-W331 HydrophobicContact CG-CD2 4.29Å; K325-W331 HydrophobicContact CG-CE3 4.35Å; K325-W331 HydrophobicContact CG-CH2 4.39Å; K325-W331 HydrophobicContact CG-CZ2 4.3Å; K325-W331 HydrophobicContact CG-CZ3 4.41Å
332N86.7Confident85.1Confident52 Ų52114.1 Ų114.128%0.27858%0.576SS.*EExtended strand (participates in β ladder)trans-112.9128173.7-64.9-76.2000108.7I323 R324I323-N332 WeakPolarHBondContact CA-O 3.16Å; R324-N332 HydrophobicContact CG-CB 3.83Å; R324-N332 PolarHBondContact N-O 3.47Å; R324-N332 PolarHBondContact O-N 3.14Å
333F92.4Very high84.8Confident136 Ų136116.9 Ų116.960%0.59659%0.593SS**EExtended strand (participates in β ladder)trans-110.5136.4177.2176.9-93.1000109.5A321 F322 I323 W335A321-F333 HydrophobicContact CB-CE2 3.85Å; A321-F333 HydrophobicContact CB-CZ 4.11Å; F322-F333 CarbonylContact O-C 3.48Å; F322-F333 WeakPolarHBondContact O-CA 3.32Å; I323-F333 HydrophobicContact CG1-CD2 4.07Å; F333-W335 HydrophobicContact CE1-CB 3.84Å; F333-W335 HydrophobicContact CZ-CB 4.2Å
334T92.7Very high84.5Confident71 Ų71120.8 Ų120.844%0.43661%0.612SS.*EExtended strand (participates in β ladder)trans-137.2123.9176.3-54.10000109.3A321 F322 V336A321-T334 CarbonylContact C-O 3.57Å; A321-T334 WeakPolarHBondContact CA-O 3.43Å; F322-T334 PolarHBondContact N-O 3.37Å; F322-T334 PolarHBondContact O-N 3.14Å; T334-V336 HydrophobicContact CG2-CG2 4.42Å
335W93.4Very high84.2Confident107 Ų107119.8 Ų119.841%0.40562%0.618SS.*EExtended strand (participates in β ladder)trans-105.5130.1174.6176.6-106.4000110F316 Q318 A321 F333F316-W335 HydrophobicContact CB-CH2 3.99Å; F316-W335 HydrophobicContact CB-CZ3 4.42Å; F316-W335 AromaticContact CD2-CH2 4Å; F316-W335 HydrophobicContact CD2-CH2 4Å; F316-W335 AromaticContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CD2-CZ3 3.56Å; F316-W335 HydrophobicContact CE2-CZ3 4.02Å; F316-W335 HydrophobicContact CG-CH2 4.06Å; F316-W335 HydrophobicContact CG-CZ3 4.07Å; Q318-W335 HydrophobicContact CB-CH2 4.47Å; Q318-W335 HydrophobicContact CB-CZ2 4.19Å; A321-W335 HydrophobicContact CB-CE3 3.81Å; A321-W335 HydrophobicContact CB-CZ3 4.08Å; F333-W335 HydrophobicContact CE1-CB 3.84Å; F333-W335 HydrophobicContact CZ-CB 4.2Å
336V91.8Very high84.1Confident69 Ų69121.2 Ų121.242%0.41863%0.63SS.*EExtended strand (participates in β ladder)trans-119.5104.9176.3-177.80000107.9G319 Q320 F322 T334G319-V336 CarbonylContact C-O 3.56Å; G319-V336 WeakPolarHBondContact CA-O 3.5Å; Q320-V336 PolarHBondContact N-O 3.2Å; Q320-V336 PolarHBondContact O-N 3.44Å; F322-V336 HydrophobicContact CD2-CG2 4.2Å; F322-V336 HydrophobicContact CE2-CB 4.3Å; F322-V336 HydrophobicContact CE2-CG2 3.73Å; T334-V336 HydrophobicContact CG2-CG2 4.42Å
337P89.4Confident84.2Confident79 Ų79125.5 Ų125.551%0.51365%0.652SS.*EExtended strand (participates in β ladder)trans-67.6143.6177.828-32.6000110.4Q339P337-Q339 PolarHBondContact O-N 3.12Å
338R86.8Confident84.3Confident189 Ų189123.1 Ų123.171%0.71363%0.628SS**PPolyproline II helixtrans-72.4122.8165.7-101.1177.5153.1-115.4-2.2107.7P317 Q318 E340P317-R338 WeakPolarHBondContact O-CD 3.45Å; Q318-R338 PolarHBondContact O-N 3.47Å; R338-E340 PolarHBondContact O-N 3.22Å
339Q75.6Confident84.4Confident190 Ų190127 Ų12789%0.88862%0.62SS**PPolyproline II helixtrans-75.1123.2167.4-64.5-170.646.400107.4P337P337-Q339 PolarHBondContact O-N 3.12Å
340E71.4Confident84.7Confident183 Ų183134.8 Ų134.886%0.85564%0.642SS**PPolyproline II helixtrans-70.1141.8167.4-72.1-173156.900109R338R338-E340 PolarHBondContact O-N 3.22Å
341P64.4Low84.7Confident205 Ų205131.2 Ų131.2100%1.33164%0.641SS**  trans-610179.9-20.431.3000114.9

Retrieved 341 of 341 residues in 190.3 ms (Link to these results)