A0A077YW15_TRITR Loading...

Homeobox domain containing protein

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB , UniProt , Accession A0A077YW15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 320 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
1M40.9Very low40.6Very low246 Ų246173.4 Ų173.4100%1.21286%0.856SS**  044.60-78-155.5-105.400111.3
2E37.8Very low40.7Very low184 Ų184166.8 Ų166.886%0.8684%0.84SS**  trans-153.2153.7173.5-75.1-170.714100107.6
3K45.5Very low40.3Very low198 Ų198170.5 Ų170.586%0.86184%0.84SS**  trans104.688.8-177.5-60.5176.9-177.4-174.30114.2
4F42Very low40.1Very low199 Ų199174.6 Ų174.687%0.87384%0.842SS**  -178.586.4114.5-116.4-97000109.9
5K44.7Very low40.1Very low211 Ų211173.4 Ų173.492%0.91784%0.841SS**  trans-121.2100.4153.5-85.4-171177.2-179.70106.2
6F42.4Very low40.2Very low173 Ų173172 Ų17276%0.75984%0.838SS**  trans-154.4131.5160.8-157-125.4000110.3
7L42.5Very low40.7Very low132 Ų132168.3 Ų168.369%0.69183%0.83SS**  trans76.988.3165.7-66.8158.5000118.8
8Q36.8Very low41.2Very low202 Ų202164.8 Ų164.894%0.94482%0.82SS**  -56124.6128.3-82.3180-13.800108.8
9G34.8Very low41.2Very low57 Ų57162.5 Ų162.559%0.58881%0.811SS**  trans171.9126.1172.300000111.7
10H42.2Very low41.7Very low176 Ų176160.8 Ų160.882%0.81580%0.804SS**  trans94.459.9165.3-56.6-149000115.8S12H10-S12 VanDerWaalsContact C-N 3.26Å; H10-S12 PolarHBondContact O-N 3.3Å; H10-S12 VanDerWaalsContact O-N 3.1Å
11S36.6Very low41.9Very low129 Ų129157.9 Ų157.990%0.90279%0.791SS**  trans-66.781.7145.8173.20000109.7
12S42.1Very low42.4Very low94 Ų94149 Ų14966%0.65775%0.753SS**  trans-163.848.2169-1620000114.6H10H10-S12 VanDerWaalsContact C-N 3.26Å; H10-S12 PolarHBondContact O-N 3.3Å; H10-S12 VanDerWaalsContact O-N 3.1Å
13Y34.9Very low43Very low215 Ų215149 Ų14984%0.84375%0.75SS**  trans-143.231.1164.2-68.7-71.3000112.8
14R38.4Very low43.1Very low229 Ų229145.8 Ų145.886%0.86474%0.742SS**SBendtrans-95.1120.4168.5-65.7-163.3-168.2-122.65.6108.3
15N40.3Very low43.1Very low156 Ų156140.8 Ų140.883%0.83472%0.72SS**  trans89.674.5171.5-47-65.8000116.3
16L41.1Very low44Very low151 Ų151135 Ų13579%0.79171%0.705SS**  trans-89.8123.7151-84.8161.8000108.5V18L16-V18 PolarHBondContact O-N 3.1Å; L16-V18 VanDerWaalsContact O-N 3.07Å
17P49.4Very low44.4Very low109 Ų109132.9 Ų132.971%0.70870%0.701SS**  trans-73.399.4178.828.1-30.8000109.9D19P17-D19 PolarHBondContact O-N 3.27Å
18V50Low44.6Very low105 Ų105134 Ų13464%0.63670%0.7SS**  trans-77.817.1172.9-73.70000113.1L16 D20L16-V18 PolarHBondContact O-N 3.1Å; L16-V18 VanDerWaalsContact O-N 3.07Å; V18-D20 VanDerWaalsContact C-N 3.35Å; V18-D20 PolarHBondContact O-N 3.25Å
19D41.2Very low45.5Very low122 Ų122127.1 Ų127.165%0.65267%0.672SS**THydrogen-bonded Turntrans-83.7-0.8-165.2-73-50.2000115.1P17P17-D19 PolarHBondContact O-N 3.27Å
20D49.6Very low46.4Very low127 Ų127128.8 Ų128.868%0.67966%0.661SS**THydrogen-bonded Turntrans-138.939.6-177.3-154.121.2000116.2V18V18-D20 VanDerWaalsContact C-N 3.35Å; V18-D20 PolarHBondContact O-N 3.25Å
21L45.9Very low46.9Very low101 Ų101126.6 Ų126.653%0.52965%0.651SS.*  trans-116.210.8162.5-64.3177.1000112.5F23 L24 F25L21-F23 PolarHBondContact O-N 3.47Å; L21-F23 VanDerWaalsContact O-N 3.13Å; L21-L24 PolarHBondContact O-N 3.07Å; L21-L24 VanDerWaalsContact O-N 3.12Å; L21-F25 HydrophobicContact CB-CD2 4.47Å; L21-F25 HydrophobicContact CB-CE2 3.89Å; L21-F25 HydrophobicContact CD1-CE2 4.47Å; L21-F25 WeakPolarHBondContact O-CD2 3.21Å
22S52.3Low47.3Very low59 Ų59124.3 Ų124.341%0.41363%0.627SS.*THydrogen-bonded Turntrans-70.8-10.7-174.182.30000114.2R30S22-R30 PolarHBondContact O-NH2 2.92Å
23F50.2Low47.8Very low183 Ų183125.1 Ų125.180%0.80362%0.619SS**THydrogen-bonded Turntrans-92-17.2174.6-76-85000114L21L21-F23 PolarHBondContact O-N 3.47Å; L21-F23 VanDerWaalsContact O-N 3.13Å
24L47.8Very low48.9Very low131 Ų131118 Ų11869%0.68660%0.597SS**SBendtrans-97.1-4.5-167.2-13075.5000115L21L21-L24 PolarHBondContact O-N 3.07Å; L21-L24 VanDerWaalsContact O-N 3.12Å
25F42.3Very low49.7Very low94 Ų94110.6 Ų110.641%0.41258%0.575SS.*  trans-116.8119.1-172.7-67.1-62000113.3L21 V29L21-F25 HydrophobicContact CB-CD2 4.47Å; L21-F25 HydrophobicContact CB-CE2 3.89Å; L21-F25 HydrophobicContact CD1-CE2 4.47Å; L21-F25 WeakPolarHBondContact O-CD2 3.21Å; F25-V29 HydrophobicContact CB-CB 4.06Å; F25-V29 HydrophobicContact CB-CG1 4.25Å; F25-V29 HydrophobicContact CD1-CB 3.92Å; F25-V29 HydrophobicContact CD1-CG1 3.41Å; F25-V29 VanDerWaalsContact CD1-CG1 3.41Å; F25-V29 HydrophobicContact CD1-CG2 4.48Å; F25-V29 HydrophobicContact CE1-CG1 3.97Å; F25-V29 HydrophobicContact CG-CB 4.3Å; F25-V29 HydrophobicContact CG-CG1 3.96Å
26P63.9Low50.1Low91 Ų91109.3 Ų109.359%0.59157%0.567SS**  trans-51.5151.2166.8-24.933.5000111.3F28 V29 R30P26-F28 PolarHBondContact O-N 3.17Å; P26-V29 PolarHBondContact O-N 3.33Å; P26-R30 PolarHBondContact O-N 3.43Å; P26-R30 VanDerWaalsContact O-N 3.17Å
27N49.3Very low50.9Low127 Ų127106.4 Ų106.468%0.67955%0.551SS**Hα-helixtrans-47.6-32-176.2-86.2-74.1000113.7R30 Q31N27-R30 WeakPolarHBondContact O-CB 3.48Å; N27-R30 PolarHBondContact O-N 3.24Å; N27-Q31 PolarHBondContact O-N 3.48Å
28F48.6Very low50.9Low156 Ų156103.1 Ų103.168%0.68453%0.528SS*.Hα-helixtrans-64.6-47.7177.6-171-100.8000113.6P26 R30 Q31 M32P26-F28 PolarHBondContact O-N 3.17Å; F28-R30 VanDerWaalsContact C-N 3.29Å; F28-R30 PolarHBondContact O-N 3.32Å; F28-Q31 WeakPolarHBondContact O-CA 3.46Å; F28-Q31 VanDerWaalsContact O-CB 3.31Å; F28-Q31 WeakPolarHBondContact O-CB 3.08Å; F28-Q31 PolarHBondContact O-N 3.49Å; F28-M32 HydrophobicContact CE1-CG 4.42Å; F28-M32 PolarHBondContact O-N 2.93Å
29V55.1Low50.8Low57 Ų57105.1 Ų105.135%0.34554%0.535SS..Hα-helixtrans-69.9-31.7177.2-174.40000110.4F25 P26 Q31 M32 F33F25-V29 HydrophobicContact CB-CB 4.06Å; F25-V29 HydrophobicContact CB-CG1 4.25Å; F25-V29 HydrophobicContact CD1-CB 3.92Å; F25-V29 HydrophobicContact CD1-CG1 3.41Å; F25-V29 VanDerWaalsContact CD1-CG1 3.41Å; F25-V29 HydrophobicContact CD1-CG2 4.48Å; F25-V29 HydrophobicContact CE1-CG1 3.97Å; F25-V29 HydrophobicContact CG-CB 4.3Å; F25-V29 HydrophobicContact CG-CG1 3.96Å; P26-V29 PolarHBondContact O-N 3.33Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; V29-Q31 PolarHBondContact O-N 3.17Å; V29-M32 PolarHBondContact O-N 2.74Å; V29-F33 WeakPolarHBondContact O-CB 3.41Å; V29-F33 PolarHBondContact O-N 3.15Å
30R53.4Low51Low92 Ų92101.2 Ų101.235%0.34751%0.514SS..Hα-helixtrans-60.8-41.3167.4-111-177174.2157.58.7112.4S22 P26 N27 F28 V34S22-R30 PolarHBondContact O-NH2 2.92Å; P26-R30 PolarHBondContact O-N 3.43Å; P26-R30 VanDerWaalsContact O-N 3.17Å; N27-R30 WeakPolarHBondContact O-CB 3.48Å; N27-R30 PolarHBondContact O-N 3.24Å; F28-R30 VanDerWaalsContact C-N 3.29Å; F28-R30 PolarHBondContact O-N 3.32Å; R30-V34 VanDerWaalsContact O-CB 3.29Å; R30-V34 WeakPolarHBondContact O-CB 3.3Å; R30-V34 WeakPolarHBondContact O-CG2 3.44Å; R30-V34 PolarHBondContact O-N 3.16Å
31Q51.6Low50.8Low130 Ų130104.4 Ų104.461%0.60752%0.522SS*.Hα-helixtrans-66.2-42177-133.3122.524.700110.7N27 F28 V29 L35N27-Q31 PolarHBondContact O-N 3.48Å; F28-Q31 WeakPolarHBondContact O-CA 3.46Å; F28-Q31 VanDerWaalsContact O-CB 3.31Å; F28-Q31 WeakPolarHBondContact O-CB 3.08Å; F28-Q31 PolarHBondContact O-N 3.49Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; V29-Q31 PolarHBondContact O-N 3.17Å; Q31-L35 VanDerWaalsContact O-CG 3.28Å; Q31-L35 WeakPolarHBondContact O-CG 3.45Å; Q31-L35 PolarHBondContact O-N 3.12Å
32M46.5Very low50.8Low81 Ų81102.9 Ų102.940%0.39952%0.52SS..Hα-helixtrans-67.9-42.4176.2-83.3-87.544.900113F28 V29 V34 L35 L36F28-M32 HydrophobicContact CE1-CG 4.42Å; F28-M32 PolarHBondContact O-N 2.93Å; V29-M32 PolarHBondContact O-N 2.74Å; M32-V34 PolarHBondContact O-N 3.28Å; M32-L35 HydrophobicContact CE-CB 3.89Å; M32-L35 HydrophobicContact CE-CD1 3.95Å; M32-L35 CarbonylContact O-C 3.42Å; M32-L35 WeakPolarHBondContact O-CA 3.46Å; M32-L35 WeakPolarHBondContact O-CB 3.29Å; M32-L35 PolarHBondContact O-N 3.15Å; M32-L35 VanDerWaalsContact O-N 3.07Å; M32-L36 WeakPolarHBondContact O-CG 3.45Å; M32-L36 PolarHBondContact O-N 3.28Å
33F51.4Low50.7Low111 Ų111108.4 Ų108.449%0.48754%0.544SS..Hα-helixtrans-67.5-36.4176.8-169.4-113.4000112.1V29 L35 L36 I37V29-F33 WeakPolarHBondContact O-CB 3.41Å; V29-F33 PolarHBondContact O-N 3.15Å; F33-L35 VanDerWaalsContact C-N 3.3Å; F33-L35 PolarHBondContact O-N 3.43Å; F33-L36 PolarHBondContact O-N 3.18Å; F33-I37 HydrophobicContact CD1-CD1 3.47Å; F33-I37 VanDerWaalsContact CD1-CD1 3.47Å; F33-I37 HydrophobicContact CD2-CD1 4.3Å; F33-I37 HydrophobicContact CE1-CD1 3.11Å; F33-I37 HydrophobicContact CE1-CG1 4.29Å; F33-I37 HydrophobicContact CE2-CD1 3.99Å; F33-I37 HydrophobicContact CE2-CG1 4.4Å; F33-I37 HydrophobicContact CG-CD1 4.07Å; F33-I37 HydrophobicContact CZ-CD1 3.41Å; F33-I37 VanDerWaalsContact CZ-CD1 3.41Å; F33-I37 HydrophobicContact CZ-CG1 4.23Å; F33-I37 WeakPolarHBondContact O-CG1 3.5Å; F33-I37 PolarHBondContact O-N 3.26Å
34V58.5Low50.9Low65 Ų65103.1 Ų103.139%0.39453%0.526SS..Hα-helixtrans-66.5-32.5170.4170.20000111.2R30 M32 N38R30-V34 VanDerWaalsContact O-CB 3.29Å; R30-V34 WeakPolarHBondContact O-CB 3.3Å; R30-V34 WeakPolarHBondContact O-CG2 3.44Å; R30-V34 PolarHBondContact O-N 3.16Å; M32-V34 PolarHBondContact O-N 3.28Å; V34-N38 PolarHBondContact O-ND2 2.99Å
35L54.8Low51.3Low75 Ų75105.3 Ų105.339%0.39353%0.533SS..Hα-helixtrans-71.6-35.3172.6-71.2169.2000112Q31 M32 F33Q31-L35 VanDerWaalsContact O-CG 3.28Å; Q31-L35 WeakPolarHBondContact O-CG 3.45Å; Q31-L35 PolarHBondContact O-N 3.12Å; M32-L35 HydrophobicContact CE-CB 3.89Å; M32-L35 HydrophobicContact CE-CD1 3.95Å; M32-L35 CarbonylContact O-C 3.42Å; M32-L35 WeakPolarHBondContact O-CA 3.46Å; M32-L35 WeakPolarHBondContact O-CB 3.29Å; M32-L35 PolarHBondContact O-N 3.15Å; M32-L35 VanDerWaalsContact O-N 3.07Å; F33-L35 VanDerWaalsContact C-N 3.3Å; F33-L35 PolarHBondContact O-N 3.43Å
36L49.3Very low52.1Low129 Ų129108.8 Ų108.868%0.67555%0.548SS*.Hα-helixtrans-76.9-28.1-178.7-73.2164.8000114.4M32 F33M32-L36 WeakPolarHBondContact O-CG 3.45Å; M32-L36 PolarHBondContact O-N 3.28Å; F33-L36 PolarHBondContact O-N 3.18Å
37I57.1Low52.2Low89 Ų89113.9 Ų113.946%0.45656%0.556SS.*Hα-helixtrans-82.9-15.5175.6-64.6163.9000112.3F33 D39F33-I37 HydrophobicContact CD1-CD1 3.47Å; F33-I37 VanDerWaalsContact CD1-CD1 3.47Å; F33-I37 HydrophobicContact CD2-CD1 4.3Å; F33-I37 HydrophobicContact CE1-CD1 3.11Å; F33-I37 HydrophobicContact CE1-CG1 4.29Å; F33-I37 HydrophobicContact CE2-CD1 3.99Å; F33-I37 HydrophobicContact CE2-CG1 4.4Å; F33-I37 HydrophobicContact CG-CD1 4.07Å; F33-I37 HydrophobicContact CZ-CD1 3.41Å; F33-I37 VanDerWaalsContact CZ-CD1 3.41Å; F33-I37 HydrophobicContact CZ-CG1 4.23Å; F33-I37 WeakPolarHBondContact O-CG1 3.5Å; F33-I37 PolarHBondContact O-N 3.26Å; I37-D39 PolarHBondContact O-N 3.35Å
38N49.9Very low53.6Low40 Ų40114 Ų11421%0.21456%0.561CS.*  trans-95.785.7179.1-75.3-59.6000109.7V34 D40 K247V34-N38 PolarHBondContact O-ND2 2.99Å; N38-D40 PolarHBondContact O-N 3.37Å; N38-K247 VanDerWaalsContact OD1-CE 3.26Å; N38-K247 WeakPolarHBondContact OD1-CE 3.45Å
39D48.5Very low55Low148 Ų148117.7 Ų117.779%0.79157%0.571SS**  trans-59.250.9167-96.2-58.2000113.6I37I37-D39 PolarHBondContact O-N 3.35Å
40D46Very low56.5Low39 Ų39120.2 Ų120.221%0.20959%0.586CS.*  trans-159.785.5169-85.9-58.3000107.5N38 S42 R229 R232N38-D40 PolarHBondContact O-N 3.37Å; D40-S42 PolarHBondContact O-N 2.92Å; D40-R229 IonicContact OD1-CZ 3.6Å; D40-R229 IonicContact OD1-NE 2.67Å; D40-R229 WeakPolarHBondContact OD2-CD 3.28Å; D40-R229 IonicContact OD2-CZ 3.89Å; D40-R229 IonicContact OD2-NE 3.54Å; D40-R229 PolarHBondContact OD2-NE 3.05Å; D40-R229 IonicContact OD2-NH1 3.68Å; D40-R229 PolarHBondContact OD2-NH1 3.2Å; D40-R232 IonicContact OD2-CZ 2.75Å; D40-R232 IonicContact OD2-NH1 2.77Å; D40-R232 PolarHBondContact OD2-NH1 2.66Å; D40-R232 IonicContact OD2-NH2 2.69Å
41F44.7Very low58.3Low195 Ų195120.3 Ų120.386%0.85561%0.607SS**  trans-71.532153.9-128.4-87.1000110.2L43F41-L43 PolarHBondContact O-N 3.06Å
42S46.4Very low60.4Low68 Ų68117 Ų11748%0.47659%0.589SS.*  trans-67.5133.417476.80000107.7D40 V44D40-S42 PolarHBondContact O-N 2.92Å; S42-V44 PolarHBondContact O-N 3.38Å
43L49Very low62.8Low175 Ų175116.8 Ų116.892%0.91659%0.592SS**  trans-64.440.3-171.2-139.4143.5000112.7F41 Q45F41-L43 PolarHBondContact O-N 3.06Å; L43-Q45 PolarHBondContact O-N 3.43Å
44V55Low65Low72 Ų72118 Ų11844%0.43660%0.604SS.*  trans-66.6100.6169.2178.70000106.1S42 K46 T244S42-V44 PolarHBondContact O-N 3.38Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.49Å; V44-T244 HydrophobicContact CG1-CG2 3.91Å
45Q55.9Low66.8Low178 Ų178120.7 Ų120.783%0.83261%0.612SS**  trans-46.896.6178.1-159.7157.40.600109.2L43 R47L43-Q45 PolarHBondContact O-N 3.43Å; Q45-R47 PolarHBondContact O-N 2.94Å
46K60.2Low68.8Low166 Ų166118.4 Ų118.472%0.72260%0.599SS**  trans-57.5121.5174.6-79.2175.6-178.1167.70104.8V44 T48V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.49Å; K46-T48 PolarHBondContact O-N 3Å
47R64.9Low71.1Confident198 Ų198115.3 Ų115.375%0.74758%0.583SS**  trans-54109.9170.3-78.5-172.5-110.5153.2-4.9107.8Q45 R49Q45-R47 PolarHBondContact O-N 2.94Å; R47-R49 PolarHBondContact O-N 2.88Å
48T78Confident73.1Confident131 Ų131115.4 Ų115.480%0.80459%0.588SS**PPolyproline II helixtrans-61.5119.1174.7-56.10000107.2K46 T50K46-T48 PolarHBondContact O-N 3Å; T48-T50 PolarHBondContact O-N 3.35Å
49R79.7Confident75.3Confident233 Ų233115.9 Ų115.988%0.87959%0.589SS**PPolyproline II helixtrans-73.4122.2172.2-68.1-179.3177.5-85.8-0.5106.9R47R47-R49 PolarHBondContact O-N 2.88Å
50T85.9Confident77.7Confident110 Ų110108.9 Ų108.968%0.67555%0.551SS**PPolyproline II helixtrans-69.9129.4168.447.70000108.9T48T48-T50 PolarHBondContact O-N 3.35Å
51A92.1Very high80.1Confident94 Ų94109.6 Ų109.678%0.77755%0.553SS**PPolyproline II helixtrans-86.9141170.800000108.8
52Y94.3Very high82.6Confident61 Ų61105.9 Ų105.924%0.23954%0.537CS..PPolyproline II helixtrans-74.6147168.8-60.1-58.5000109.6Q56 L57 L84 W92Y52-Q56 VanDerWaalsContact CA-OE1 3.3Å; Y52-L57 HydrophobicContact CD2-CD2 4.07Å; Y52-L57 HydrophobicContact CG-CD2 4.39Å; Y52-L84 HydrophobicContact CD1-CD1 3.89Å; Y52-L84 HydrophobicContact CD1-CD2 3.91Å; Y52-L84 HydrophobicContact CE1-CD1 3.82Å; Y52-L84 HydrophobicContact CE1-CD2 3.78Å; Y52-L84 HydrophobicContact CE1-CG 4.46Å; Y52-W92 AromaticContact CD2-CD1 3.92Å; Y52-W92 AromaticContact CE2-CD1 3.6Å
53T97Very high85.1Confident75 Ų75103.2 Ų103.246%0.4652%0.517SS..PPolyproline II helixtrans-67159172.870.20000110.4H55 Q56 L57T53-H55 VanDerWaalsContact C-N 3.26Å; T53-H55 PolarHBondContact O-N 2.93Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 VanDerWaalsContact OG1-CG 3.26Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.42Å; T53-Q56 PolarHBondContact OG1-N 3.37Å; T53-Q56 VanDerWaalsContact OG1-N 3.16Å; T53-L57 WeakPolarHBondContact O-CG 3.39Å; T53-L57 PolarHBondContact O-N 3.37Å
54N97Very high87.4Confident136 Ų13695.1 Ų95.173%0.72747%0.474SS*.Hα-helixtrans-58.5-40.8175.5-74.7-49.9000111.7Q56 L57 V58N54-Q56 PolarHBondContact O-N 3.26Å; N54-L57 PolarHBondContact O-N 2.91Å; N54-V58 WeakPolarHBondContact O-CG2 3.44Å; N54-V58 PolarHBondContact O-N 3.47Å
55H97.6Very high89.3Confident123 Ų12398.4 Ų98.457%0.56949%0.485SS*.Hα-helixtrans-56-49.6174.2175.3-98.2000111.9T53 L57 V58 E59T53-H55 VanDerWaalsContact C-N 3.26Å; T53-H55 PolarHBondContact O-N 2.93Å; H55-L57 VanDerWaalsContact C-N 3.3Å; H55-L57 PolarHBondContact O-N 3.07Å; H55-V58 PolarHBondContact O-N 2.97Å; H55-E59 PolarHBondContact O-N 3.32Å
56Q97.5Very high91.2Very high26 Ų2698.1 Ų98.112%0.12148%0.481CS..Hα-helixtrans-58.5-41.6177.1-73.8170.6-21.200112.1Y52 T53 N54 L60 L82 L84Y52-Q56 VanDerWaalsContact CA-OE1 3.3Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 VanDerWaalsContact OG1-CG 3.26Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.42Å; T53-Q56 PolarHBondContact OG1-N 3.37Å; T53-Q56 VanDerWaalsContact OG1-N 3.16Å; N54-Q56 PolarHBondContact O-N 3.26Å; Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 WeakPolarHBondContact O-CD1 3.4Å; Q56-L60 WeakPolarHBondContact O-CG 3.37Å; Q56-L60 PolarHBondContact O-N 3.42Å; Q56-L60 VanDerWaalsContact O-N 3.09Å; Q56-L82 HydrophobicContact CG-CB 4.35Å; Q56-L82 PolarHBondContact NE2-O 3.26Å; Q56-L84 HydrophobicContact CG-CD1 4.35Å
57L97.5Very high92.9Very high64 Ų6492.4 Ų92.434%0.33546%0.462SS..Hα-helixtrans-66.9-40.4-179.9-68.8175000112.9Y52 T53 N54 H55 E61Y52-L57 HydrophobicContact CD2-CD2 4.07Å; Y52-L57 HydrophobicContact CG-CD2 4.39Å; T53-L57 WeakPolarHBondContact O-CG 3.39Å; T53-L57 PolarHBondContact O-N 3.37Å; N54-L57 PolarHBondContact O-N 2.91Å; H55-L57 VanDerWaalsContact C-N 3.3Å; H55-L57 PolarHBondContact O-N 3.07Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 2.68Å
58V97.5Very high94.3Very high92 Ų9289.9 Ų89.956%0.55845%0.452SS*.Hα-helixtrans-64.7-49.3179.9170.70000110.8N54 H55 L60 E61 K62N54-V58 WeakPolarHBondContact O-CG2 3.44Å; N54-V58 PolarHBondContact O-N 3.47Å; H55-V58 PolarHBondContact O-N 2.97Å; V58-L60 PolarHBondContact O-N 3.27Å; V58-E61 PolarHBondContact O-N 2.94Å; V58-K62 WeakPolarHBondContact O-CB 3.36Å; V58-K62 PolarHBondContact O-N 2.69Å
59E97.4Very high95.3Very high50 Ų5091.4 Ų91.423%0.23444%0.444CS..Hα-helixtrans-64.4-40.2178.8-72-56.3119.100111.8H55 E61 K62 E63 L82H55-E59 PolarHBondContact O-N 3.32Å; E59-E61 VanDerWaalsContact C-N 3.32Å; E59-E61 PolarHBondContact O-N 3.24Å; E59-K62 PolarHBondContact O-N 2.75Å; E59-K62 IonicContact OE1-NZ 2.9Å; E59-K62 IonicContact OE2-NZ 2.9Å; E59-K62 PolarHBondContact OE2-NZ 3.14Å; E59-K62 VanDerWaalsContact OE2-NZ 3.13Å; E59-E63 WeakPolarHBondContact O-CB 3.3Å; E59-E63 VanDerWaalsContact O-CG 3.3Å; E59-E63 WeakPolarHBondContact O-CG 3.47Å; E59-E63 PolarHBondContact O-N 3.25Å; E59-L82 HydrophobicContact CB-CD1 4.27Å; E59-L82 HydrophobicContact CB-CD2 3.79Å; E59-L82 HydrophobicContact CG-CD2 4.1Å
60L97.9Very high96Very high0 Ų081.6 Ų81.60%041%0.409CS..Hα-helixtrans-61.5-38.8174.6-74.7169000112.8Q56 V58 F64 L82 L84 I89 W92 F93Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 WeakPolarHBondContact O-CD1 3.4Å; Q56-L60 WeakPolarHBondContact O-CG 3.37Å; Q56-L60 PolarHBondContact O-N 3.42Å; Q56-L60 VanDerWaalsContact O-N 3.09Å; V58-L60 PolarHBondContact O-N 3.27Å; L60-F64 WeakPolarHBondContact O-CB 3.37Å; L60-F64 PolarHBondContact O-N 3.39Å; L60-L82 HydrophobicContact CD2-CD1 3.96Å; L60-L82 HydrophobicContact CG-CD1 3.79Å; L60-L84 HydrophobicContact CD1-CD1 4.35Å; L60-I89 HydrophobicContact CD2-CD1 3.75Å; L60-I89 HydrophobicContact CD2-CG2 4.44Å; L60-W92 VanDerWaalsContact C-CH2 3.49Å; L60-W92 HydrophobicContact CB-CD2 3.97Å; L60-W92 HydrophobicContact CB-CE3 3.99Å; L60-W92 HydrophobicContact CB-CH2 3.68Å; L60-W92 HydrophobicContact CB-CZ2 3.61Å; L60-W92 HydrophobicContact CB-CZ3 3.86Å; L60-W92 HydrophobicContact CD1-CD2 3.87Å; L60-W92 HydrophobicContact CD1-CG 3.82Å; L60-W92 HydrophobicContact CD2-CD2 4.27Å; L60-W92 HydrophobicContact CD2-CE3 4.14Å; L60-W92 HydrophobicContact CG-CD2 4.27Å; L60-W92 HydrophobicContact CG-CE3 4.46Å; L60-W92 WeakPolarHBondContact O-CH2 3.36Å; L60-W92 WeakPolarHBondContact O-CZ3 3.27Å; L60-F93 HydrophobicContact CD2-CE2 4.08Å
61E97.6Very high96.5Very high55 Ų5579.6 Ų79.626%0.25740%0.4SS..Hα-helixtrans-71.8-42.1178.2-164.567.3-156.600111.5L57 V58 E59 E63 F64 H65 R96L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 2.68Å; V58-E61 PolarHBondContact O-N 2.94Å; E59-E61 VanDerWaalsContact C-N 3.32Å; E59-E61 PolarHBondContact O-N 3.24Å; E61-E63 VanDerWaalsContact C-N 3.33Å; E61-E63 PolarHBondContact O-N 3Å; E61-F64 WeakPolarHBondContact O-CB 3.24Å; E61-F64 PolarHBondContact O-N 2.9Å; E61-F64 VanDerWaalsContact O-N 3.14Å; E61-H65 PolarHBondContact O-CD2 2.83Å; E61-H65 PolarHBondContact O-N 3.48Å; E61-H65 IonicContact OE1-NE2 2.77Å; E61-R96 VanDerWaalsContact CD-NE 3.33Å; E61-R96 IonicContact OE1-CZ 2.62Å; E61-R96 IonicContact OE1-NE 3.51Å; E61-R96 PolarHBondContact OE1-NE 3.12Å; E61-R96 IonicContact OE1-NH2 3.4Å; E61-R96 PolarHBondContact OE1-NH2 3.02Å; E61-R96 WeakPolarHBondContact OE2-CD 3.48Å; E61-R96 IonicContact OE2-CZ 3.17Å; E61-R96 IonicContact OE2-NE 3.2Å; E61-R96 PolarHBondContact OE2-NE 3.16Å
62K97.1Very high96.7Very high117 Ų11782.4 Ų82.451%0.50939%0.394SS..Hα-helixtrans-55.1-47.8172.6175.8-175.6166.9-163.40111.3V58 E59 F64 H65 F66V58-K62 WeakPolarHBondContact O-CB 3.36Å; V58-K62 PolarHBondContact O-N 2.69Å; E59-K62 PolarHBondContact O-N 2.75Å; E59-K62 IonicContact OE1-NZ 2.9Å; E59-K62 IonicContact OE2-NZ 2.9Å; E59-K62 PolarHBondContact OE2-NZ 3.14Å; E59-K62 VanDerWaalsContact OE2-NZ 3.13Å; K62-F64 PolarHBondContact O-N 2.77Å; K62-H65 WeakPolarHBondContact O-CB 3.42Å; K62-H65 PolarHBondContact O-N 3.47Å; K62-F66 PolarHBondContact O-N 3.14Å
63E97.2Very high96.9Very high12 Ų1282.9 Ų82.96%0.05641%0.406CS..Hα-helixtrans-65.3-37176-71.7-64.8129.100112.9E59 E61 H65 F66 S67 R74 L78 F93E59-E63 WeakPolarHBondContact O-CB 3.3Å; E59-E63 VanDerWaalsContact O-CG 3.3Å; E59-E63 WeakPolarHBondContact O-CG 3.47Å; E59-E63 PolarHBondContact O-N 3.25Å; E61-E63 VanDerWaalsContact C-N 3.33Å; E61-E63 PolarHBondContact O-N 3Å; E63-H65 VanDerWaalsContact C-N 3.27Å; E63-H65 PolarHBondContact O-N 3.4Å; E63-F66 PolarHBondContact O-N 3.07Å; E63-S67 PolarHBondContact O-N 3.29Å; E63-R74 IonicContact OE1-CZ 3.6Å; E63-R74 IonicContact OE1-NE 3.5Å; E63-R74 IonicContact OE1-NH2 3.75Å; E63-R74 PolarHBondContact OE1-NH2 3.33Å; E63-R74 IonicContact OE2-CZ 3.19Å; E63-R74 IonicContact OE2-NE 3.25Å; E63-R74 PolarHBondContact OE2-NE 3.39Å; E63-R74 IonicContact OE2-NH2 3.92Å; E63-R74 PolarHBondContact OE2-NH2 3.46Å; E63-L78 HydrophobicContact CB-CD1 4Å; E63-L78 HydrophobicContact CG-CD1 3.69Å; E63-L78 HydrophobicContact CG-CD2 3.59Å; E63-L78 HydrophobicContact CG-CG 4.25Å; E63-F93 HydrophobicContact CB-CZ 4.03Å
64F97.4Very high96.9Very high5 Ų583.2 Ų83.22%0.02240%0.399CS..Hα-helixtrans-64.8-33.1175.6-172.9-100.6000112.7L60 E61 K62 S67 R68 W92 F93 R96 R97 M100L60-F64 WeakPolarHBondContact O-CB 3.37Å; L60-F64 PolarHBondContact O-N 3.39Å; E61-F64 WeakPolarHBondContact O-CB 3.24Å; E61-F64 PolarHBondContact O-N 2.9Å; E61-F64 VanDerWaalsContact O-N 3.14Å; K62-F64 PolarHBondContact O-N 2.77Å; F64-S67 CarbonylContact O-C 3.48Å; F64-R68 HydrophobicContact CE1-CG 4.31Å; F64-R68 HydrophobicContact CE2-CB 4.17Å; F64-R68 HydrophobicContact CE2-CG 4.37Å; F64-R68 HydrophobicContact CZ-CB 4.28Å; F64-R68 HydrophobicContact CZ-CG 4.07Å; F64-R68 PolarHBondContact O-N 3Å; F64-W92 HydrophobicContact CB-CH2 4.14Å; F64-W92 HydrophobicContact CB-CZ3 4Å; F64-W92 HydrophobicContact CD2-CZ3 4.36Å; F64-W92 HydrophobicContact CG-CZ3 4.39Å; F64-F93 HydrophobicContact CB-CE1 4.31Å; F64-F93 AromaticContact CD2-CD1 3.86Å; F64-F93 HydrophobicContact CD2-CD1 3.86Å; F64-F93 AromaticContact CD2-CE1 3.91Å; F64-F93 HydrophobicContact CD2-CE1 3.91Å; F64-R96 HydrophobicContact CB-CG 4.44Å; F64-R96 HydrophobicContact CD1-CG 3.71Å; F64-R96 HydrophobicContact CD2-CB 4.2Å; F64-R96 HydrophobicContact CD2-CG 3.57Å; F64-R96 HydrophobicContact CE1-CG 3.76Å; F64-R96 HydrophobicContact CE2-CB 4.13Å; F64-R96 HydrophobicContact CE2-CG 3.63Å; F64-R96 HydrophobicContact CG-CG 3.61Å; F64-R96 HydrophobicContact CZ-CG 3.73Å; F64-R97 HydrophobicContact CE2-CG 3.72Å; F64-R97 HydrophobicContact CZ-CG 4.1Å; F64-M100 HydrophobicContact CE1-SD 4.09Å; F64-M100 HydrophobicContact CZ-SD 3.95Å
65H95.1Very high96.9Very high141 Ų14179.2 Ų79.265%0.65337%0.374SS*.Hα-helixtrans-70.9-40.6172.9-78.2-67.3000112.2E61 K62 E63E61-H65 PolarHBondContact O-CD2 2.83Å; E61-H65 PolarHBondContact O-N 3.48Å; E61-H65 IonicContact OE1-NE2 2.77Å; K62-H65 WeakPolarHBondContact O-CB 3.42Å; K62-H65 PolarHBondContact O-N 3.47Å; E63-H65 VanDerWaalsContact C-N 3.27Å; E63-H65 PolarHBondContact O-N 3.4Å
66F96.7Very high96.9Very high171 Ų17177.7 Ų77.775%0.7537%0.367SS*.Hα-helixtrans-63.7-49174.1-179.3-101.9000111.7K62 E63K62-F66 PolarHBondContact O-N 3.14Å; E63-F66 PolarHBondContact O-N 3.07Å
67S95.3Very high96.9Very high46 Ų4680.3 Ų80.332%0.32238%0.379SS..  trans-146.3123.1173.8-176.90000112.8E63 F64 Y69 F93E63-S67 PolarHBondContact O-N 3.29Å; F64-S67 CarbonylContact O-C 3.48Å; S67-Y69 PolarHBondContact O-N 3.31Å; S67-Y69 VanDerWaalsContact O-N 3.16Å; S67-Y69 PolarHBondContact OG-N 2.92Å; S67-Y69 PolarHBondContact OG-O 3.43Å; S67-F93 WeakPolarHBondContact O-CE1 3.42Å
68R95.6Very high96.9Very high145 Ų14577.5 Ų77.555%0.54737%0.365SS..SBendtrans-67.8-14.8176.2-62.7179.2177.2131.7-1.9113.4F64 R97F64-R68 HydrophobicContact CE1-CG 4.31Å; F64-R68 HydrophobicContact CE2-CB 4.17Å; F64-R68 HydrophobicContact CE2-CG 4.37Å; F64-R68 HydrophobicContact CZ-CB 4.28Å; F64-R68 HydrophobicContact CZ-CG 4.07Å; F64-R68 PolarHBondContact O-N 3Å; R68-R97 WeakPolarHBondContact O-CD 3.48Å; R68-R97 PolarHBondContact O-NH1 3.39Å
69Y97.4Very high96.9Very high164 Ų16473.8 Ų73.864%0.64334%0.344SS*.SBendtrans-130.1126.3-178.8-65.1-86.2000110.5S67S67-Y69 PolarHBondContact O-N 3.31Å; S67-Y69 VanDerWaalsContact O-N 3.16Å; S67-Y69 PolarHBondContact OG-N 2.92Å; S67-Y69 PolarHBondContact OG-O 3.43Å
70L95.3Very high96.9Very high26 Ų2677 Ų7714%0.13636%0.359CS..  trans-98.3125.2-170-164.365.3000111.6R74 R75 L78 I89 F93L70-R74 HydrophobicContact CD1-CB 3.83Å; L70-R74 HydrophobicContact CD1-CG 3.54Å; L70-R75 HydrophobicContact CD2-CB 3.61Å; L70-R75 HydrophobicContact CD2-CG 3.83Å; L70-R75 HydrophobicContact CG-CB 3.97Å; L70-L78 HydrophobicContact CD1-CD1 3.85Å; L70-L78 HydrophobicContact CD2-CD1 4.18Å; L70-I89 HydrophobicContact CD2-CG2 3.4Å; L70-I89 VanDerWaalsContact CD2-CG2 3.4Å; L70-F93 HydrophobicContact CB-CD1 4.27Å; L70-F93 HydrophobicContact CB-CE1 4.28Å; L70-F93 HydrophobicContact CB-CG 4.49Å; L70-F93 HydrophobicContact CD1-CE1 4.48Å; L70-F93 HydrophobicContact CD1-CE2 4.5Å; L70-F93 HydrophobicContact CD1-CZ 4.11Å; L70-F93 HydrophobicContact CD2-CD2 4.01Å; L70-F93 HydrophobicContact CD2-CE2 3.86Å; L70-F93 HydrophobicContact CD2-CZ 4.25Å
71S96.5Very high96.9Very high68 Ų6880.7 Ų80.748%0.47639%0.385SS..  trans-67.6168172.271.20000111.2R74 R75S71-R74 VanDerWaalsContact OG-CB 3.31Å; S71-R74 WeakPolarHBondContact OG-CB 3.42Å; S71-R74 PolarHBondContact OG-N 3.47Å; S71-R75 WeakPolarHBondContact O-CB 3.39Å; S71-R75 PolarHBondContact O-N 3.25Å; S71-R75 VanDerWaalsContact O-N 3.14Å
72K96.8Very high96.8Very high153 Ų15378.5 Ų78.567%0.66537%0.374SS*.Hα-helixtrans-65.3-50.3178.9-173-176.8173.8-170.40111.5R75 Q76K72-R75 WeakPolarHBondContact O-CB 3.18Å; K72-R75 PolarHBondContact O-N 3.31Å; K72-Q76 PolarHBondContact O-N 3.21Å
73S96.9Very high96.8Very high71 Ų7180.4 Ų80.450%0.49739%0.389SS..Hα-helixtrans-65.8-43.2-178.291.40000111.5R75 Q76 E77S73-R75 PolarHBondContact O-N 3.5Å; S73-Q76 WeakPolarHBondContact O-CA 3.27Å; S73-Q76 WeakPolarHBondContact O-CB 3.29Å; S73-Q76 PolarHBondContact O-N 3.12Å; S73-E77 WeakPolarHBondContact O-CG 3.48Å; S73-E77 PolarHBondContact O-N 3.19Å; S73-E77 PolarHBondContact OG-OE1 3.19Å
74R97.3Very high96.7Very high82 Ų8280.6 Ų80.631%0.30939%0.391SS..Hα-helixtrans-62.1-31.7178-168.858.6178.6170.50.4112.5E63 L70 S71 E77 L78E63-R74 IonicContact OE1-CZ 3.6Å; E63-R74 IonicContact OE1-NE 3.5Å; E63-R74 IonicContact OE1-NH2 3.75Å; E63-R74 PolarHBondContact OE1-NH2 3.33Å; E63-R74 IonicContact OE2-CZ 3.19Å; E63-R74 IonicContact OE2-NE 3.25Å; E63-R74 PolarHBondContact OE2-NE 3.39Å; E63-R74 IonicContact OE2-NH2 3.92Å; E63-R74 PolarHBondContact OE2-NH2 3.46Å; L70-R74 HydrophobicContact CD1-CB 3.83Å; L70-R74 HydrophobicContact CD1-CG 3.54Å; S71-R74 VanDerWaalsContact OG-CB 3.31Å; S71-R74 WeakPolarHBondContact OG-CB 3.42Å; S71-R74 PolarHBondContact OG-N 3.47Å; R74-E77 VanDerWaalsContact CD-OE2 3.25Å; R74-E77 WeakPolarHBondContact CD-OE2 3.36Å; R74-E77 IonicContact CZ-OE2 3.71Å; R74-E77 IonicContact NE-OE2 3.97Å; R74-E77 IonicContact NH1-OE2 2.72Å; R74-E77 PolarHBondContact NH1-OE2 2.93Å; R74-L78 HydrophobicContact CG-CD1 4.5Å; R74-L78 VanDerWaalsContact O-CG 3.3Å; R74-L78 WeakPolarHBondContact O-CG 3.35Å; R74-L78 PolarHBondContact O-N 3.11Å; R74-L78 VanDerWaalsContact O-N 3.11Å
75R98Very high96.7Very high53 Ų5383 Ų8320%0.241%0.409CS..Hα-helixtrans-64.8-40.6172.5-172.3-170.2-53.8133.310.3112.4L70 S71 K72 S73 A79 E86 I89L70-R75 HydrophobicContact CD2-CB 3.61Å; L70-R75 HydrophobicContact CD2-CG 3.83Å; L70-R75 HydrophobicContact CG-CB 3.97Å; S71-R75 WeakPolarHBondContact O-CB 3.39Å; S71-R75 PolarHBondContact O-N 3.25Å; S71-R75 VanDerWaalsContact O-N 3.14Å; K72-R75 WeakPolarHBondContact O-CB 3.18Å; K72-R75 PolarHBondContact O-N 3.31Å; S73-R75 PolarHBondContact O-N 3.5Å; R75-A79 WeakPolarHBondContact O-CB 3.03Å; R75-A79 PolarHBondContact O-N 2.99Å; R75-E86 HydrophobicContact CG-CB 4.2Å; R75-E86 HydrophobicContact CG-CG 4.23Å; R75-E86 IonicContact NH1-OE2 3.64Å; R75-I89 HydrophobicContact CG-CB 4.17Å; R75-I89 HydrophobicContact CG-CG2 4.01Å
76Q97.6Very high96.8Very high91 Ų9180.2 Ų80.243%0.42540%0.396SS..Hα-helixtrans-65.7-47.7178.3-174.9-178.8-31.300110.4K72 S73 L78 A79 E80K72-Q76 PolarHBondContact O-N 3.21Å; S73-Q76 WeakPolarHBondContact O-CA 3.27Å; S73-Q76 WeakPolarHBondContact O-CB 3.29Å; S73-Q76 PolarHBondContact O-N 3.12Å; Q76-L78 VanDerWaalsContact C-N 3.3Å; Q76-L78 PolarHBondContact O-N 3.13Å; Q76-A79 WeakPolarHBondContact O-CB 3.27Å; Q76-A79 PolarHBondContact O-N 3.32Å; Q76-E80 VanDerWaalsContact CG-OE1 3.27Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.46Å; Q76-E80 PolarHBondContact NE2-OE1 3.44Å; Q76-E80 WeakPolarHBondContact O-CG 3.45Å; Q76-E80 PolarHBondContact O-N 2.84Å
77E97.7Very high96.7Very high80 Ų8079.7 Ų79.737%0.37439%0.389SS..Hα-helixtrans-56.7-41.6176.2-66.5160.6-140.100112.5S73 R74 S81S73-E77 WeakPolarHBondContact O-CG 3.48Å; S73-E77 PolarHBondContact O-N 3.19Å; S73-E77 PolarHBondContact OG-OE1 3.19Å; R74-E77 VanDerWaalsContact CD-OE2 3.25Å; R74-E77 WeakPolarHBondContact CD-OE2 3.36Å; R74-E77 IonicContact CZ-OE2 3.71Å; R74-E77 IonicContact NE-OE2 3.97Å; R74-E77 IonicContact NH1-OE2 2.72Å; R74-E77 PolarHBondContact NH1-OE2 2.93Å; E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 3.49Å; E77-S81 PolarHBondContact O-OG 3.23Å
78L97.4Very high96.7Very high5 Ų580.1 Ų80.13%0.02639%0.386CS..Hα-helixtrans-71.6-32.6175.9-67.7177.5000113.5E63 L70 R74 Q76 S81 L82 I89 F93E63-L78 HydrophobicContact CB-CD1 4Å; E63-L78 HydrophobicContact CG-CD1 3.69Å; E63-L78 HydrophobicContact CG-CD2 3.59Å; E63-L78 HydrophobicContact CG-CG 4.25Å; L70-L78 HydrophobicContact CD1-CD1 3.85Å; L70-L78 HydrophobicContact CD2-CD1 4.18Å; R74-L78 HydrophobicContact CG-CD1 4.5Å; R74-L78 VanDerWaalsContact O-CG 3.3Å; R74-L78 WeakPolarHBondContact O-CG 3.35Å; R74-L78 PolarHBondContact O-N 3.11Å; R74-L78 VanDerWaalsContact O-N 3.11Å; Q76-L78 VanDerWaalsContact C-N 3.3Å; Q76-L78 PolarHBondContact O-N 3.13Å; L78-S81 WeakPolarHBondContact CA-OG 3.34Å; L78-S81 PolarHBondContact O-OG 2.92Å; L78-L82 VanDerWaalsContact O-CB 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.2Å; L78-L82 PolarHBondContact O-N 3.43Å; L78-L82 VanDerWaalsContact O-N 3.07Å; L78-I89 HydrophobicContact CB-CD1 4.4Å; L78-F93 HydrophobicContact CD1-CE2 4.42Å
79A97.7Very high96.8Very high14 Ų1473.2 Ų73.212%0.11636%0.36CS..Hα-helixtrans-65.1-46.1176.100000110.8R75 Q76 L83 L84 E86 I89R75-A79 WeakPolarHBondContact O-CB 3.03Å; R75-A79 PolarHBondContact O-N 2.99Å; Q76-A79 WeakPolarHBondContact O-CB 3.27Å; Q76-A79 PolarHBondContact O-N 3.32Å; A79-L83 WeakPolarHBondContact O-CA 3.31Å; A79-L83 PolarHBondContact O-N 3.47Å; A79-L83 VanDerWaalsContact O-N 3.1Å; A79-L84 CarbonylContact C-O 3.57Å; A79-L84 WeakPolarHBondContact CA-O 3.11Å; A79-L84 WeakPolarHBondContact CB-O 3.13Å; A79-L84 PolarHBondContact O-N 3.02Å; A79-L84 VanDerWaalsContact O-N 3.07Å; A79-E86 HydrophobicContact CB-CG 4.03Å; A79-I89 HydrophobicContact CB-CG1 4.4Å
80E97.3Very high96.8Very high118 Ų11871.4 Ų71.455%0.55136%0.355SS*.Hα-helixtrans-64.6-51.2178.1-69.1167.9-169.900111.2Q76 L82 L83Q76-E80 VanDerWaalsContact CG-OE1 3.27Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.46Å; Q76-E80 PolarHBondContact NE2-OE1 3.44Å; Q76-E80 WeakPolarHBondContact O-CG 3.45Å; Q76-E80 PolarHBondContact O-N 2.84Å; E80-L82 PolarHBondContact O-N 2.98Å; E80-L83 PolarHBondContact O-N 3.14Å
81S97Very high96.8Very high78 Ų7872.5 Ų72.555%0.54536%0.36SS..Hα-helixtrans-67.6-33.8-177.854.30000114.6E77 L78E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 3.49Å; E77-S81 PolarHBondContact O-OG 3.23Å; L78-S81 WeakPolarHBondContact CA-OG 3.34Å; L78-S81 PolarHBondContact O-OG 2.92Å
82L96.3Very high96.8Very high8 Ų870.5 Ų70.54%0.04234%0.343CS..Hα-helixtrans-96.6-1.5-177.6-59.6-177.7000113.9Q56 E59 L60 L78 E80 L84 I89Q56-L82 HydrophobicContact CG-CB 4.35Å; Q56-L82 PolarHBondContact NE2-O 3.26Å; E59-L82 HydrophobicContact CB-CD1 4.27Å; E59-L82 HydrophobicContact CB-CD2 3.79Å; E59-L82 HydrophobicContact CG-CD2 4.1Å; L60-L82 HydrophobicContact CD2-CD1 3.96Å; L60-L82 HydrophobicContact CG-CD1 3.79Å; L78-L82 VanDerWaalsContact O-CB 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.2Å; L78-L82 PolarHBondContact O-N 3.43Å; L78-L82 VanDerWaalsContact O-N 3.07Å; E80-L82 PolarHBondContact O-N 2.98Å; L82-L84 VanDerWaalsContact C-N 3.27Å; L82-L84 HydrophobicContact CB-CD1 4.19Å; L82-L84 HydrophobicContact CB-CG 4.2Å; L82-L84 PolarHBondContact O-N 3.42Å; L82-I89 HydrophobicContact CD1-CD1 4.29Å
83L96.7Very high96.9Very high157 Ų15763.4 Ų63.482%0.82231%0.312SS*.THydrogen-bonded Turntrans52.646.4-174.3-55.8175.8000111.8A79 E80A79-L83 WeakPolarHBondContact O-CA 3.31Å; A79-L83 PolarHBondContact O-N 3.47Å; A79-L83 VanDerWaalsContact O-N 3.1Å; E80-L83 PolarHBondContact O-N 3.14Å
84L95.6Very high96.9Very high16 Ų1665.2 Ų65.28%0.08431%0.312CS..  trans-124.1145.2177.9-67.4178.9000109.3Y52 Q56 L60 A79 L82 Q88 I89Y52-L84 HydrophobicContact CD1-CD1 3.89Å; Y52-L84 HydrophobicContact CD1-CD2 3.91Å; Y52-L84 HydrophobicContact CE1-CD1 3.82Å; Y52-L84 HydrophobicContact CE1-CD2 3.78Å; Y52-L84 HydrophobicContact CE1-CG 4.46Å; Q56-L84 HydrophobicContact CG-CD1 4.35Å; L60-L84 HydrophobicContact CD1-CD1 4.35Å; A79-L84 CarbonylContact C-O 3.57Å; A79-L84 WeakPolarHBondContact CA-O 3.11Å; A79-L84 WeakPolarHBondContact CB-O 3.13Å; A79-L84 PolarHBondContact O-N 3.02Å; A79-L84 VanDerWaalsContact O-N 3.07Å; L82-L84 VanDerWaalsContact C-N 3.27Å; L82-L84 HydrophobicContact CB-CD1 4.19Å; L82-L84 HydrophobicContact CB-CG 4.2Å; L82-L84 PolarHBondContact O-N 3.42Å; L84-Q88 HydrophobicContact CB-CB 4.39Å; L84-I89 HydrophobicContact CB-CD1 3.89Å; L84-I89 HydrophobicContact CB-CG1 4.29Å; L84-I89 HydrophobicContact CD1-CD1 3.84Å; L84-I89 HydrophobicContact CG-CD1 4.49Å
85S96.2Very high96.8Very high57 Ų5766 Ų6640%0.39932%0.322SS..  trans-63.1146.4173.262.50000111.5R87 Q88 I89S85-R87 PolarHBondContact O-N 3.3Å; S85-Q88 WeakPolarHBondContact O-CA 3.29Å; S85-Q88 WeakPolarHBondContact O-CB 3.26Å; S85-Q88 PolarHBondContact O-N 3.41Å; S85-Q88 VanDerWaalsContact OG-CG 3.28Å; S85-Q88 WeakPolarHBondContact OG-CG 3.19Å; S85-Q88 PolarHBondContact OG-N 3.47Å; S85-Q88 PolarHBondContact OG-OE1 3.01Å; S85-I89 PolarHBondContact O-N 3.21Å; S85-I89 VanDerWaalsContact O-N 3.12Å
86E97Very high96.8Very high81 Ų8165.4 Ų65.438%0.37932%0.32SS..Hα-helixtrans-49.6-34.9171.9-75.7-169.3-93.300112.2R75 A79 I89 K90R75-E86 HydrophobicContact CG-CB 4.2Å; R75-E86 HydrophobicContact CG-CG 4.23Å; R75-E86 IonicContact NH1-OE2 3.64Å; A79-E86 HydrophobicContact CB-CG 4.03Å; E86-I89 PolarHBondContact O-N 2.93Å; E86-K90 VanDerWaalsContact O-CB 3.28Å; E86-K90 WeakPolarHBondContact O-CB 3.34Å; E86-K90 PolarHBondContact O-N 3.2Å
87R95.5Very high96.8Very high161 Ų16164 Ų6461%0.60831%0.311SS*.Hα-helixtrans-63-44.3175.6-175.2179.5-172.2-78.9-2.6112.1S85 K90 I91S85-R87 PolarHBondContact O-N 3.3Å; R87-K90 PolarHBondContact O-N 3.27Å; R87-I91 HydrophobicContact CG-CD1 3.95Å; R87-I91 WeakPolarHBondContact O-CB 3.17Å; R87-I91 VanDerWaalsContact O-CG1 3.28Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.26Å
88Q95.9Very high96.6Very high55 Ų5565.1 Ų65.126%0.25732%0.318SS..Hα-helixtrans-62.6-47176.4-77.9163.6-60.900110.8L84 S85 K90 I91 W92L84-Q88 HydrophobicContact CB-CB 4.39Å; S85-Q88 WeakPolarHBondContact O-CA 3.29Å; S85-Q88 WeakPolarHBondContact O-CB 3.26Å; S85-Q88 PolarHBondContact O-N 3.41Å; S85-Q88 VanDerWaalsContact OG-CG 3.28Å; S85-Q88 WeakPolarHBondContact OG-CG 3.19Å; S85-Q88 PolarHBondContact OG-N 3.47Å; S85-Q88 PolarHBondContact OG-OE1 3.01Å; Q88-K90 VanDerWaalsContact C-N 3.34Å; Q88-K90 PolarHBondContact O-N 2.87Å; Q88-I91 PolarHBondContact O-N 3.01Å; Q88-W92 WeakPolarHBondContact O-CB 3.47Å; Q88-W92 PolarHBondContact O-N 3.02Å
89I97.2Very high96.4Very high0 Ų071 Ų710%034%0.343CS..Hα-helixtrans-57.4-48.7175.9-56.2-65000110.3L60 L70 R75 L78 A79 L82 L84 S85 E86 I91 W92 F93L60-I89 HydrophobicContact CD2-CD1 3.75Å; L60-I89 HydrophobicContact CD2-CG2 4.44Å; L70-I89 HydrophobicContact CD2-CG2 3.4Å; L70-I89 VanDerWaalsContact CD2-CG2 3.4Å; R75-I89 HydrophobicContact CG-CB 4.17Å; R75-I89 HydrophobicContact CG-CG2 4.01Å; L78-I89 HydrophobicContact CB-CD1 4.4Å; A79-I89 HydrophobicContact CB-CG1 4.4Å; L82-I89 HydrophobicContact CD1-CD1 4.29Å; L84-I89 HydrophobicContact CB-CD1 3.89Å; L84-I89 HydrophobicContact CB-CG1 4.29Å; L84-I89 HydrophobicContact CD1-CD1 3.84Å; L84-I89 HydrophobicContact CG-CD1 4.49Å; S85-I89 PolarHBondContact O-N 3.21Å; S85-I89 VanDerWaalsContact O-N 3.12Å; E86-I89 PolarHBondContact O-N 2.93Å; I89-I91 PolarHBondContact O-N 3.39Å; I89-W92 PolarHBondContact O-N 3.43Å; I89-F93 HydrophobicContact CG2-CD2 4Å; I89-F93 HydrophobicContact CG2-CE2 4.11Å; I89-F93 WeakPolarHBondContact O-CD2 3.48Å; I89-F93 PolarHBondContact O-N 3.47Å
90K96.5Very high96.2Very high125 Ų12572.3 Ų72.354%0.54335%0.347SS..Hα-helixtrans-57.9-45.6178.3-177.8177180176.20112.3E86 R87 Q88 Q94E86-K90 VanDerWaalsContact O-CB 3.28Å; E86-K90 WeakPolarHBondContact O-CB 3.34Å; E86-K90 PolarHBondContact O-N 3.2Å; R87-K90 PolarHBondContact O-N 3.27Å; Q88-K90 VanDerWaalsContact C-N 3.34Å; Q88-K90 PolarHBondContact O-N 2.87Å; K90-Q94 WeakPolarHBondContact O-CB 3.48Å; K90-Q94 PolarHBondContact O-N 3.37Å
91I95.1Very high96Very high49 Ų4971.6 Ų71.625%0.25134%0.342SS..Hα-helixtrans-66.7-40.6178.2-72.3170.2000110.9R87 Q88 I89 Q94 N95R87-I91 HydrophobicContact CG-CD1 3.95Å; R87-I91 WeakPolarHBondContact O-CB 3.17Å; R87-I91 VanDerWaalsContact O-CG1 3.28Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.26Å; Q88-I91 PolarHBondContact O-N 3.01Å; I89-I91 PolarHBondContact O-N 3.39Å; I91-Q94 PolarHBondContact O-N 3.34Å; I91-N95 WeakPolarHBondContact CG2-ND2 3.41Å; I91-N95 WeakPolarHBondContact O-CB 3.37Å; I91-N95 VanDerWaalsContact O-CG 3.26Å; I91-N95 PolarHBondContact O-N 2.97Å; I91-N95 PolarHBondContact O-ND2 3.05Å
92W97.6Very high95.5Very high27 Ų2773.6 Ų73.610%0.10234%0.341CS..Hα-helixtrans-59.9-50.4177.4-172.7101.9000110.9Y52 L60 F64 Q88 I89 Q94 N95 R96Y52-W92 AromaticContact CD2-CD1 3.92Å; Y52-W92 AromaticContact CE2-CD1 3.6Å; L60-W92 VanDerWaalsContact C-CH2 3.49Å; L60-W92 HydrophobicContact CB-CD2 3.97Å; L60-W92 HydrophobicContact CB-CE3 3.99Å; L60-W92 HydrophobicContact CB-CH2 3.68Å; L60-W92 HydrophobicContact CB-CZ2 3.61Å; L60-W92 HydrophobicContact CB-CZ3 3.86Å; L60-W92 HydrophobicContact CD1-CD2 3.87Å; L60-W92 HydrophobicContact CD1-CG 3.82Å; L60-W92 HydrophobicContact CD2-CD2 4.27Å; L60-W92 HydrophobicContact CD2-CE3 4.14Å; L60-W92 HydrophobicContact CG-CD2 4.27Å; L60-W92 HydrophobicContact CG-CE3 4.46Å; L60-W92 WeakPolarHBondContact O-CH2 3.36Å; L60-W92 WeakPolarHBondContact O-CZ3 3.27Å; F64-W92 HydrophobicContact CB-CH2 4.14Å; F64-W92 HydrophobicContact CB-CZ3 4Å; F64-W92 HydrophobicContact CD2-CZ3 4.36Å; F64-W92 HydrophobicContact CG-CZ3 4.39Å; Q88-W92 WeakPolarHBondContact O-CB 3.47Å; Q88-W92 PolarHBondContact O-N 3.02Å; I89-W92 PolarHBondContact O-N 3.43Å; W92-Q94 VanDerWaalsContact C-N 3.32Å; W92-Q94 PolarHBondContact O-N 3.04Å; W92-N95 PolarHBondContact O-N 3.21Å; W92-N95 VanDerWaalsContact O-N 3.17Å; W92-R96 HydrophobicContact CD2-CB 4.46Å; W92-R96 HydrophobicContact CE3-CB 4.01Å; W92-R96 HydrophobicContact CH2-CB 4.01Å; W92-R96 HydrophobicContact CH2-CG 3.68Å; W92-R96 HydrophobicContact CZ2-CB 4.49Å; W92-R96 HydrophobicContact CZ2-CG 4.37Å; W92-R96 HydrophobicContact CZ3-CB 3.77Å; W92-R96 HydrophobicContact CZ3-CG 3.78Å; W92-R96 WeakPolarHBondContact O-CB 3.34Å; W92-R96 PolarHBondContact O-N 3.22Å
93F98.2Very high95.1Very high3 Ų376.8 Ų76.81%0.01336%0.358CS..Hα-helixtrans-60.7-39.7177.3-92-100000112.3L60 E63 F64 S67 L70 L78 I89 R96 R97L60-F93 HydrophobicContact CD2-CE2 4.08Å; E63-F93 HydrophobicContact CB-CZ 4.03Å; F64-F93 HydrophobicContact CB-CE1 4.31Å; F64-F93 AromaticContact CD2-CD1 3.86Å; F64-F93 HydrophobicContact CD2-CD1 3.86Å; F64-F93 AromaticContact CD2-CE1 3.91Å; F64-F93 HydrophobicContact CD2-CE1 3.91Å; S67-F93 WeakPolarHBondContact O-CE1 3.42Å; L70-F93 HydrophobicContact CB-CD1 4.27Å; L70-F93 HydrophobicContact CB-CE1 4.28Å; L70-F93 HydrophobicContact CB-CG 4.49Å; L70-F93 HydrophobicContact CD1-CE1 4.48Å; L70-F93 HydrophobicContact CD1-CE2 4.5Å; L70-F93 HydrophobicContact CD1-CZ 4.11Å; L70-F93 HydrophobicContact CD2-CD2 4.01Å; L70-F93 HydrophobicContact CD2-CE2 3.86Å; L70-F93 HydrophobicContact CD2-CZ 4.25Å; L78-F93 HydrophobicContact CD1-CE2 4.42Å; I89-F93 HydrophobicContact CG2-CD2 4Å; I89-F93 HydrophobicContact CG2-CE2 4.11Å; I89-F93 WeakPolarHBondContact O-CD2 3.48Å; I89-F93 PolarHBondContact O-N 3.47Å; F93-R96 PolarHBondContact O-N 3.43Å; F93-R97 WeakPolarHBondContact O-CG 3.28Å; F93-R97 PolarHBondContact O-N 2.78Å
94Q96.8Very high94.6Very high110 Ų11073.9 Ų73.951%0.51434%0.34SS..Hα-helixtrans-62-48.5175.1-172.9176.33000111.3K90 I91 W92 R96 R97 M98K90-Q94 WeakPolarHBondContact O-CB 3.48Å; K90-Q94 PolarHBondContact O-N 3.37Å; I91-Q94 PolarHBondContact O-N 3.34Å; W92-Q94 VanDerWaalsContact C-N 3.32Å; W92-Q94 PolarHBondContact O-N 3.04Å; Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-R96 PolarHBondContact O-N 3.41Å; Q94-R97 PolarHBondContact O-N 3.47Å; Q94-M98 WeakPolarHBondContact O-CG 3.49Å; Q94-M98 PolarHBondContact O-N 3.37Å
95N96.7Very high94Very high97 Ų9779.2 Ų79.252%0.51936%0.359SS..Hα-helixtrans-63.6-39.7177.6-71.2-24.2000111.8I91 W92 M98 K99I91-N95 WeakPolarHBondContact CG2-ND2 3.41Å; I91-N95 WeakPolarHBondContact O-CB 3.37Å; I91-N95 VanDerWaalsContact O-CG 3.26Å; I91-N95 PolarHBondContact O-N 2.97Å; I91-N95 PolarHBondContact O-ND2 3.05Å; W92-N95 PolarHBondContact O-N 3.21Å; W92-N95 VanDerWaalsContact O-N 3.17Å; N95-M98 WeakPolarHBondContact O-CB 3.4Å; N95-M98 PolarHBondContact O-N 3.17Å; N95-K99 PolarHBondContact O-N 3.43Å
96R97.7Very high93.2Very high41 Ų4181.4 Ų81.416%0.15537%0.367CS..Hα-helixtrans-64.2-42.1178.6-176.963.9-170.777.80.1112E61 F64 W92 F93 Q94 K99 M100E61-R96 VanDerWaalsContact CD-NE 3.33Å; E61-R96 IonicContact OE1-CZ 2.62Å; E61-R96 IonicContact OE1-NE 3.51Å; E61-R96 PolarHBondContact OE1-NE 3.12Å; E61-R96 IonicContact OE1-NH2 3.4Å; E61-R96 PolarHBondContact OE1-NH2 3.02Å; E61-R96 WeakPolarHBondContact OE2-CD 3.48Å; E61-R96 IonicContact OE2-CZ 3.17Å; E61-R96 IonicContact OE2-NE 3.2Å; E61-R96 PolarHBondContact OE2-NE 3.16Å; F64-R96 HydrophobicContact CB-CG 4.44Å; F64-R96 HydrophobicContact CD1-CG 3.71Å; F64-R96 HydrophobicContact CD2-CB 4.2Å; F64-R96 HydrophobicContact CD2-CG 3.57Å; F64-R96 HydrophobicContact CE1-CG 3.76Å; F64-R96 HydrophobicContact CE2-CB 4.13Å; F64-R96 HydrophobicContact CE2-CG 3.63Å; F64-R96 HydrophobicContact CG-CG 3.61Å; F64-R96 HydrophobicContact CZ-CG 3.73Å; W92-R96 HydrophobicContact CD2-CB 4.46Å; W92-R96 HydrophobicContact CE3-CB 4.01Å; W92-R96 HydrophobicContact CH2-CB 4.01Å; W92-R96 HydrophobicContact CH2-CG 3.68Å; W92-R96 HydrophobicContact CZ2-CB 4.49Å; W92-R96 HydrophobicContact CZ2-CG 4.37Å; W92-R96 HydrophobicContact CZ3-CB 3.77Å; W92-R96 HydrophobicContact CZ3-CG 3.78Å; W92-R96 WeakPolarHBondContact O-CB 3.34Å; W92-R96 PolarHBondContact O-N 3.22Å; F93-R96 PolarHBondContact O-N 3.43Å; Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-R96 PolarHBondContact O-N 3.41Å; R96-K99 WeakPolarHBondContact O-CB 3.38Å; R96-K99 PolarHBondContact O-N 3.45Å; R96-M100 PolarHBondContact O-N 2.95Å
97R97.4Very high92Very high63 Ų6384.2 Ų84.224%0.23838%0.382CS..Hα-helixtrans-62.4-41.7171.1-73.1-166.8-65.2-86.5-1112F64 R68 F93 Q94 K99 M100 K101F64-R97 HydrophobicContact CE2-CG 3.72Å; F64-R97 HydrophobicContact CZ-CG 4.1Å; R68-R97 WeakPolarHBondContact O-CD 3.48Å; R68-R97 PolarHBondContact O-NH1 3.39Å; F93-R97 WeakPolarHBondContact O-CG 3.28Å; F93-R97 PolarHBondContact O-N 2.78Å; Q94-R97 PolarHBondContact O-N 3.47Å; R97-K99 VanDerWaalsContact C-N 3.29Å; R97-K99 PolarHBondContact O-N 3.25Å; R97-M100 PolarHBondContact O-N 3.49Å; R97-K101 PolarHBondContact O-N 3.16Å
98M94Very high90.8Very high103 Ų10384.8 Ų84.851%0.50739%0.389SS..Hα-helixtrans-62.8-35.8175.4-68.3-56.4-67.200112.4Q94 N95 K102Q94-M98 WeakPolarHBondContact O-CG 3.49Å; Q94-M98 PolarHBondContact O-N 3.37Å; N95-M98 WeakPolarHBondContact O-CB 3.4Å; N95-M98 PolarHBondContact O-N 3.17Å; M98-K102 PolarHBondContact O-N 2.92Å
99K92.7Very high89Confident128 Ų12883.1 Ų83.156%0.55739%0.386SS*.Hα-helixtrans-67.8-45.6173.7-168.7-179.3179.9-172.60111.7N95 R96 R97 K101 K102 N103N95-K99 PolarHBondContact O-N 3.43Å; R96-K99 WeakPolarHBondContact O-CB 3.38Å; R96-K99 PolarHBondContact O-N 3.45Å; R97-K99 VanDerWaalsContact C-N 3.29Å; R97-K99 PolarHBondContact O-N 3.25Å; K99-K101 PolarHBondContact O-N 3.49Å; K99-K102 WeakPolarHBondContact O-CA 3.38Å; K99-K102 WeakPolarHBondContact O-CB 3.37Å; K99-K102 PolarHBondContact O-N 2.77Å; K99-N103 PolarHBondContact O-N 3.34Å; K99-N103 PolarHBondContact O-OD1 2.89Å
100M93Very high87.3Confident42 Ų4285.3 Ų85.321%0.20740%0.404CS..Hα-helixtrans-54.4-53175.7-171.6-174.480.800111.7F64 R96 R97 K102 N103 E104F64-M100 HydrophobicContact CE1-SD 4.09Å; F64-M100 HydrophobicContact CZ-SD 3.95Å; R96-M100 PolarHBondContact O-N 2.95Å; R97-M100 PolarHBondContact O-N 3.49Å; M100-K102 PolarHBondContact O-N 3.07Å; M100-K102 VanDerWaalsContact O-N 3.17Å; M100-N103 PolarHBondContact O-N 3.5Å; M100-E104 WeakPolarHBondContact CG-OE1 3.3Å; M100-E104 WeakPolarHBondContact O-CG 3.38Å; M100-E104 PolarHBondContact O-N 3Å
101K92.7Very high85.5Confident103 Ų10385.4 Ų85.445%0.44841%0.41SS..Hα-helixtrans-60.6-26.7176.6-175.4171.669.8175.40113.4R97 K99 R105R97-K101 PolarHBondContact O-N 3.16Å; K99-K101 PolarHBondContact O-N 3.49Å; K101-R105 WeakPolarHBondContact O-CG 3.44Å; K101-R105 PolarHBondContact O-NE 3.3Å
102K87.1Confident83.5Confident120 Ų12089 Ų8952%0.52243%0.426SS..Hα-helixtrans-76.3-42.2174.1-171.6-179176.8-173.20111.1M98 K99 M100 R105 N106M98-K102 PolarHBondContact O-N 2.92Å; K99-K102 WeakPolarHBondContact O-CA 3.38Å; K99-K102 WeakPolarHBondContact O-CB 3.37Å; K99-K102 PolarHBondContact O-N 2.77Å; M100-K102 PolarHBondContact O-N 3.07Å; M100-K102 VanDerWaalsContact O-N 3.17Å; K102-R105 PolarHBondContact O-N 3.27Å; K102-N106 PolarHBondContact O-N 3.16Å; K102-N106 VanDerWaalsContact O-N 3.13Å; K102-N106 PolarHBondContact O-OD1 2.86Å
103N88.2Confident81.4Confident75 Ų7596.1 Ų96.140%0.40145%0.453SS..Hα-helixtrans-63.9-42.7178.6-67.54.5000111.6K99 M100 R105 N106 M107K99-N103 PolarHBondContact O-N 3.34Å; K99-N103 PolarHBondContact O-OD1 2.89Å; M100-N103 PolarHBondContact O-N 3.5Å; N103-R105 VanDerWaalsContact C-N 3.31Å; N103-R105 PolarHBondContact O-N 3.49Å; N103-N106 PolarHBondContact O-N 3.09Å; N103-N106 VanDerWaalsContact O-N 3.1Å; N103-M107 WeakPolarHBondContact O-CG 3.23Å; N103-M107 PolarHBondContact O-N 3.02Å
104E86.7Confident79.2Confident95 Ų95103.2 Ų103.244%0.44449%0.486SS..Hα-helixtrans-58.6-40.4176.5-70.9165.4-175.400112.5M100 M107 K108M100-E104 WeakPolarHBondContact CG-OE1 3.3Å; M100-E104 WeakPolarHBondContact O-CG 3.38Å; M100-E104 PolarHBondContact O-N 3Å; E104-M107 PolarHBondContact O-N 2.88Å; E104-K108 WeakPolarHBondContact O-CG 3.49Å; E104-K108 PolarHBondContact O-N 3Å
105R82Confident77.2Confident128 Ų128100.8 Ų100.848%0.48348%0.481SS..Hα-helixtrans-69.2-33.9175.9-71.6-178.4-68.9157.61.5112.8K101 K102 N103 G109K101-R105 WeakPolarHBondContact O-CG 3.44Å; K101-R105 PolarHBondContact O-NE 3.3Å; K102-R105 PolarHBondContact O-N 3.27Å; N103-R105 VanDerWaalsContact C-N 3.31Å; N103-R105 PolarHBondContact O-N 3.49Å; R105-G109 PolarHBondContact O-N 3.49Å
106N79.6Confident74.9Confident104 Ų10499.7 Ų99.756%0.55648%0.475SS*.Hα-helixtrans-71.1-36.6176.8-79.431.9000112.1K102 N103 G109 A110K102-N106 PolarHBondContact O-N 3.16Å; K102-N106 VanDerWaalsContact O-N 3.13Å; K102-N106 PolarHBondContact O-OD1 2.86Å; N103-N106 PolarHBondContact O-N 3.09Å; N103-N106 VanDerWaalsContact O-N 3.1Å; N106-G109 PolarHBondContact O-N 3.34Å; N106-A110 PolarHBondContact O-N 3Å
107M72.4Confident72.8Confident140 Ų140102.1 Ų102.169%0.6949%0.494SS*.Hα-helixtrans-71.3-43.2179.3-68.7-60.5166.700112.2N103 E104 G109 A110 D111N103-M107 WeakPolarHBondContact O-CG 3.23Å; N103-M107 PolarHBondContact O-N 3.02Å; E104-M107 PolarHBondContact O-N 2.88Å; M107-G109 PolarHBondContact O-N 3.05Å; M107-A110 PolarHBondContact O-N 3.45Å; M107-D111 PolarHBondContact O-N 3.01Å
108K68.9Low70.5Confident173 Ų173104.6 Ų104.675%0.75252%0.516SS*.Hα-helixtrans-59.3-31.2174.9-70.5-175.2177.2-168.70112.9E104E104-K108 WeakPolarHBondContact O-CG 3.49Å; E104-K108 PolarHBondContact O-N 3Å
109G59.3Low68.4Low20 Ų20107.3 Ų107.321%0.20652%0.521CS..Hα-helixtrans-83.7-4.717600000115.6R105 N106 M107 R113R105-G109 PolarHBondContact O-N 3.49Å; N106-G109 PolarHBondContact O-N 3.34Å; M107-G109 PolarHBondContact O-N 3.05Å; G109-R113 PolarHBondContact O-NE 2.98Å
110A60.6Low66.3Low46 Ų46107.9 Ų107.938%0.3853%0.53SS..Hα-helixtrans-94.5-33.6178.500000112.3N106 M107 R113 H114N106-A110 PolarHBondContact O-N 3Å; M107-A110 PolarHBondContact O-N 3.45Å; A110-R113 WeakPolarHBondContact O-CB 3.31Å; A110-R113 PolarHBondContact O-N 3.49Å; A110-R113 VanDerWaalsContact O-N 3.11Å; A110-H114 PolarHBondContact O-N 3.1Å
111D58.3Low64.2Low126 Ų126114.2 Ų114.267%0.67456%0.557SS**Hα-helixtrans-65.5-39.3-179.5-154.4-2.1000111.9M107 R113 H114 S115M107-D111 PolarHBondContact O-N 3.01Å; D111-R113 PolarHBondContact O-N 3.35Å; D111-H114 PolarHBondContact O-N 3Å; D111-S115 PolarHBondContact O-N 3.13Å
112E54.1Low62Low124 Ų124114.8 Ų114.858%0.57957%0.568SS**Hα-helixtrans-66.1-20.2173.6-71.7-162.2158.200114.1N116E112-N116 PolarHBondContact O-N 3.36Å; E112-N116 PolarHBondContact O-ND2 3.36Å
113R54Low59.9Low177 Ų177115.9 Ų115.967%0.66858%0.58SS**Hα-helixtrans-79.4-29.7176.9-64.1-176.8-169.6-155.4-5.1112.2G109 A110 D111 V117G109-R113 PolarHBondContact O-NE 2.98Å; A110-R113 WeakPolarHBondContact O-CB 3.31Å; A110-R113 PolarHBondContact O-N 3.49Å; A110-R113 VanDerWaalsContact O-N 3.11Å; D111-R113 PolarHBondContact O-N 3.35Å; R113-V117 VanDerWaalsContact O-CG2 3.3Å; R113-V117 WeakPolarHBondContact O-CG2 3.28Å
114H51.8Low58Low153 Ų153120.2 Ų120.271%0.70860%0.601SS**Hα-helixtrans-79.7-33.5176.5-99.179.4000112.4A110 D111A110-H114 PolarHBondContact O-N 3.1Å; D111-H114 PolarHBondContact O-N 3Å
115S53.3Low55.8Low58 Ų58126.5 Ų126.541%0.40663%0.627SS.*Hα-helixtrans-74.2-27179105.60000114.1D111 R119D111-S115 PolarHBondContact O-N 3.13Å; S115-R119 PolarHBondContact OG-NH2 2.99Å
116N48.9Very low53.6Low74 Ų74123 Ų12340%0.39663%0.632SS.*Hα-helixtrans-81-18.9177.7-77.2-46.8000113.8E112 V118 R119E112-N116 PolarHBondContact O-N 3.36Å; E112-N116 PolarHBondContact O-ND2 3.36Å; N116-V118 VanDerWaalsContact C-N 3.33Å; N116-R119 PolarHBondContact OD1-NH2 3.22Å
117V53.4Low51.8Low92 Ų92124.3 Ų124.356%0.55865%0.646SS**Hα-helixtrans-75.7-24.2175.6173.20000111.8R113R113-V117 VanDerWaalsContact O-CG2 3.3Å; R113-V117 WeakPolarHBondContact O-CG2 3.28Å
118V50.7Low50.3Low116 Ų116122 Ų12270%0.70365%0.649SS**Hα-helixtrans-84.1-24.7179-176.60000112.3N116N116-V118 VanDerWaalsContact C-N 3.33Å
119R49.8Very low49.2Very low159 Ų159124.9 Ų124.960%0.666%0.655SS**Hα-helixtrans-82-21.5179.8-85.3-177-76.7153.8-2.5115.2S115 N116S115-R119 PolarHBondContact OG-NH2 2.99Å; N116-R119 PolarHBondContact OD1-NH2 3.22Å
120N47.1Very low48.2Very low141 Ų141131.6 Ų131.675%0.75469%0.685SS**THydrogen-bonded Turntrans-100.717.5-178.5-70-8.9000113.8
121K50.3Low47.3Very low175 Ų175135.1 Ų135.176%0.76171%0.706SS**  trans-103.17.6179.4-100.7-171.6174.8-170.20114.7
122V44.8Very low46.4Very low114 Ų114136.5 Ų136.569%0.69171%0.712SS**SBendtrans-93.498.4166-1280000105.9
123D43.6Very low46Very low144 Ų144136.1 Ų136.177%0.7772%0.723SS**SBendtrans143132.6161.3-69.2-26.1000109
124I49Very low45.8Very low166 Ų166132.9 Ų132.985%0.85173%0.728SS**  trans85.457.6176.6-40.4166.7000114.3G126I124-G126 VanDerWaalsContact C-N 3.33Å; I124-G126 PolarHBondContact O-N 3.33Å
125F40.5Very low45.4Very low226 Ų226131 Ų13199%0.99173%0.732SS**  trans-73.691.8143.3-105.4-93.2000108
126G35Very low45.7Very low56 Ų56133.5 Ų133.558%0.57775%0.747SS**  trans-124.9124.5162.400000107.8I124I124-G126 VanDerWaalsContact C-N 3.33Å; I124-G126 PolarHBondContact O-N 3.33Å
127P42.1Very low45.5Very low130 Ų130137.3 Ų137.384%0.84477%0.765SS**  trans-86.8159.2-166.334.3-33.4000112.8
128A41.6Very low45Very low91 Ų91138.8 Ų138.875%0.75278%0.775SS**  trans85.9105.9165.700000117.5
129R44.7Very low44.8Very low235 Ų235141.5 Ų141.589%0.88778%0.784SS**  -165119.794.3-79.1-123.5172.5-150.2-2.1110.6
130L38.6Very low44.2Very low160 Ų160142.2 Ų142.284%0.83879%0.794SS**  trans-71129163.9-67.9164.1000108.6
131C41.2Very low44.1Very low120 Ų120141 Ų14181%0.81179%0.792SS**  trans-130.592.5160.9-48.70000107.3
132L39.7Very low43.9Very low155 Ų155140.6 Ų140.681%0.81280%0.795SS**  trans-87.7161.3157.9-85.883000108.7
133S45.2Very low44.5Very low116 Ų116143.5 Ų143.581%0.81180%0.803SS**  trans92.2125.2172.7-156.30000113.8
134S49.7Very low44.9Very low110 Ų110141.4 Ų141.477%0.76980%0.798SS**  cis-151.5139.731.9-62.90000112.7
135S44.7Very low44.8Very low113 Ų113138.3 Ų138.379%0.7979%0.791SS**  trans-89.5-164.1161.7-47.40000109.9
136P58Low45.4Very low110 Ų110138.8 Ų138.871%0.71479%0.787SS**  cis-134.1-176.6-31.822.90.9000112.4
137I46.5Very low45.9Very low154 Ų154144.1 Ų144.179%0.7980%0.798SS**  trans170114.9130.6-87.2161.1000113.5
138V43Very low45.8Very low124 Ų124142.9 Ų142.975%0.75280%0.798SS**  trans60.1111136.7-169.70000122.2
139L45.1Very low46.2Very low173 Ų173144.7 Ų144.791%0.90680%0.8SS**  -157.1118.5126.3-114.3159.4000109.9
140Q38Very low46Very low173 Ų173138.6 Ų138.681%0.80880%0.799SS**  trans-108.3126.9-177.3171.5169.64.400109.4
141T45.1Very low46.5Very low116 Ų116137.4 Ų137.471%0.71280%0.799SS**  trans-157.6106149.827.40000111.9
142M45.1Very low46.6Very low166 Ų166136.6 Ų136.682%0.81880%0.801SS**  70.4101.2126.3-58.7173.8-175.800121.5
143M58.9Low46.7Very low175 Ų175133.2 Ų133.286%0.86280%0.804SS**  trans82.6156131.1-55.2-15999.900120.9
144P50.4Low46.3Very low101 Ų101131.4 Ų131.466%0.65680%0.803SS**  -133160.3-65.233.8-15000113.3
145S46.9Very low45.8Very low101 Ų101130.3 Ų130.371%0.70681%0.809SS**  trans-60130.7174.247.10000114.1Q147S145-Q147 PolarHBondContact O-N 2.86Å
146Y53.3Low45.4Very low235 Ų235129.1 Ų129.192%0.92282%0.815SS**  trans-79113.2159.3-78.3-86.2000109.2
147Q46.2Very low44.5Very low169 Ų169128 Ų12879%0.7982%0.824SS**PPolyproline II helixtrans-80.7132168.6-68-168.931.600109.7S145S145-Q147 PolarHBondContact O-N 2.86Å
148A40.6Very low44.2Very low103 Ų103125.4 Ų125.485%0.85183%0.825SS**PPolyproline II helixtrans-77.4123.2167.100000108.9
149V49.7Very low44.6Very low130 Ų130124.3 Ų124.379%0.78882%0.822SS**PPolyproline II helixtrans-97.8119.8165.7-68.60000108.1
150A40.6Very low44.9Very low106 Ų106121.6 Ų121.688%0.87681%0.813SS**PPolyproline II helixtrans-86.2124.5167.900000107.9
151T48.4Very low45.3Very low135 Ų135120 Ų12083%0.82881%0.811SS**  trans-125.8125.5168.9-29.40000108.3
152A44.7Very low45.4Very low104 Ų104120.2 Ų120.286%0.8682%0.816SS**  trans-77.6162.9-176.400000113.2
153G40.1Very low45.5Very low84 Ų84117.9 Ų117.987%0.86681%0.814SS**  trans113.1128170.300000111.3
154G38.2Very low45.1Very low78 Ų78116.5 Ų116.580%0.80482%0.815SS**  cis151.1137.410.700000107.2
155G37.8Very low44.7Very low87 Ų87115.7 Ų115.790%0.89783%0.826SS**  trans77.2134171.700000114.6
156G37.6Very low44.4Very low88 Ų88114.9 Ų114.991%0.90783%0.833SS**  cis123.7120.826.300000107.1
157G37.8Very low44.1Very low87 Ų87109.1 Ų109.190%0.89783%0.827SS**  trans152.998.5173.700000114.2
158A41.6Very low44.4Very low99 Ų99107.9 Ų107.982%0.81883%0.826SS**  trans-86.9171.6-179.500000113.3
159S50.4Low44.4Very low100 Ų100114.3 Ų114.370%0.69983%0.828SS**  trans113122.1141.8-94.50000120.3
160T52.1Low44Very low116 Ų116111.4 Ų111.471%0.71283%0.825SS**  trans76.4135.7133.662.30000117.2
161N46.7Very low44.4Very low141 Ų141116.4 Ų116.475%0.75483%0.827SS**  cis-155.3130.611-83.8-34.7000106.8
162S47Very low44.3Very low119 Ų119117.1 Ų117.183%0.83283%0.825SS**  67.8145.695.8-76.40000118.6
163P47.6Very low44.5Very low118 Ų118119.6 Ų119.677%0.76682%0.824SS**  trans-118.1156.6-154.138.2-22.5000115.1
164T50.2Low44.7Very low145 Ų145119.8 Ų119.889%0.8982%0.818SS**  trans-155127.2163.252.80000107
165G40.6Very low45Very low85 Ų85119.4 Ų119.488%0.87681%0.813SS**  cis104.9106.645.500000108.2
166G40.8Very low45.7Very low84 Ų84125.4 Ų125.487%0.86682%0.815SS**  trans167.789.6174.900000115.9
167S48Very low46.1Very low114 Ų114128.3 Ų128.380%0.79781%0.81SS**  trans-82.6144164.5-76.50000111.5
168N51.5Low46.5Very low142 Ų142135.5 Ų135.576%0.75981%0.81SS**  trans173.4112.9131.7-91-23.5000109.7
169R42.4Very low46.6Very low239 Ų239134.7 Ų134.790%0.90280%0.803SS**  73.1120.592.5-92.2-176.6-178.7172.82.1114
170G40.5Very low46.6Very low69 Ų69137.8 Ų137.871%0.71181%0.81SS**  trans-66.9173.5-171.100000116.4
171K49.5Very low46.6Very low211 Ų211137.2 Ų137.292%0.91781%0.809SS**  trans-163.2145.5146.4-106.1160.8-175.6177.20110
172N44.6Very low46.4Very low150 Ų150137.6 Ų137.680%0.80281%0.811SS**  trans-88.6154.8-171.5-42.8-37.7000110
173N49.7Very low46.5Very low156 Ų156136.5 Ų136.583%0.83480%0.803SS**  trans151116.3139.3-89.8-25.9000109.2
174A44.1Very low46.6Very low88 Ų88135.7 Ų135.773%0.72780%0.8SS**  74.8101.173.100000112.7
175G44.8Very low46.5Very low69 Ų69133.9 Ų133.971%0.71179%0.794SS**  trans72.3119.6140.400000118.1
176K52.6Low46.7Very low213 Ų213137.6 Ų137.693%0.92679%0.788SS**  172.4140.9101.6-92.9160.5179.4172.20111.3
177N46Very low47.2Very low150 Ų150141.2 Ų141.280%0.80279%0.787SS**  trans-61.3150.7173.3-56.2-34.3000113
178R46.7Very low46.9Very low238 Ų238143.4 Ų143.490%0.89879%0.79SS**  165.9118.7125.5-91.9169.9-139.1-120.53.6109.5
179A43.4Very low46.5Very low81 Ų81139.9 Ų139.967%0.66979%0.786SS**  79.9103.8101.400000112
180L49.7Very low46.5Very low165 Ų165133.7 Ų133.786%0.86478%0.78SS**  76.9157.693.9-75.4174.9000113.2
181P51.9Low47.3Very low105 Ų105137 Ų13768%0.68279%0.786SS**  -144.8178.4-60.240.7-21.4000114.5
182N43.3Very low46.8Very low149 Ų149134.6 Ų134.680%0.79778%0.783SS**  trans72.7153.4140.8-152.142.1000122.9
183S48.4Very low46.3Very low95 Ų95131.2 Ų131.266%0.66478%0.784SS**  trans92.1124.7164.1-55.90000114.6
184S49.7Very low45.6Very low102 Ų102129.8 Ų129.871%0.71379%0.785SS**  cis-166165.315.7-62.40000110.8
185S47.7Very low45.1Very low107 Ų107131 Ų13175%0.74879%0.788SS**  trans73.1128.5141.775.80000117
186E45.5Very low44.7Very low162 Ų162136.9 Ų136.976%0.75780%0.797SS**  cis-175.9145.648-80.3-163.9114.400111.3
187L52.3Low44.1Very low160 Ų160131.4 Ų131.484%0.83879%0.791SS**  trans62.7151.5145.8-54.2163.3000118.9
188D40.9Very low43.9Very low161 Ų161128.3 Ų128.386%0.86179%0.787SS**  cis-177.6154-13.6169.232.3000103.5
189G44.1Very low43.8Very low67 Ų67123.3 Ų123.369%0.69178%0.783SS**  trans131.190.8164.900000117.9
190S42.2Very low44Very low109 Ų109124 Ų12476%0.76279%0.788SS**  trans-51137.6162.7-177.80000114.6
191V55.7Low43.9Very low139 Ų139120.4 Ų120.484%0.84278%0.783SS**  -172.4141.3130-85.30000112.1
192D39Very low43.4Very low160 Ų160121.1 Ų121.186%0.85679%0.789SS**  trans-50.7151.9-178.2-58.9-84.9000117.6
193G36.1Very low44.1Very low80 Ų80116.4 Ų116.483%0.82577%0.771SS**  trans176.183.7169.600000116.1
194C33.8Very low44.7Very low125 Ų125115.6 Ų115.685%0.84576%0.763SS**  trans-43.6136.7177.8-72.30000118.2
195S34.1Very low45.7Very low114 Ų114117.8 Ų117.880%0.79777%0.767SS**  trans78.262.1138.2-54.80000120.5
196E36.4Very low47.2Very low192 Ų192123 Ų12390%0.89777%0.77SS**  trans-115.855.3168.7-163.3156.4137.400113.5
197A40.6Very low49.1Very low98 Ų98118.6 Ų118.681%0.8175%0.754SS**SBendtrans-133.5-2.217300000114.6
198A40.9Very low50.9Low85 Ų85117.6 Ų117.670%0.70275%0.75SS**SBendtrans-98.2-8.3-170.800000115.7
199T45.4Very low53.5Low133 Ų133112.4 Ų112.482%0.81672%0.72SS**THydrogen-bonded Turntrans-88.8-6.1-172.344.10000115.1
200A46.2Very low56Low95 Ų95112.7 Ų112.779%0.78571%0.709SS**THydrogen-bonded Turntrans-86.6-13.7-179.100000114.9
201A47.1Very low58.6Low91 Ų91113 Ų11375%0.75271%0.706SS**SBendtrans-92.4-8.7-16900000115.7
202C43.3Very low60.5Low119 Ų119113.5 Ų113.580%0.80470%0.696SS**  trans-96.515.4-170.9-158.70000114.7P204C202-P204 VanDerWaalsContact O-CD 3.28Å; C202-P204 WeakPolarHBondContact O-CD 3.47Å
203A56.8Low63.3Low51 Ų51107.3 Ų107.342%0.42166%0.662SS.*SBendtrans-85.1110.9167.100000107.9N205A203-N205 PolarHBondContact O-N 2.83Å
204P62Low66.2Low77 Ų77107 Ų10750%0.564%0.641SS.*PPolyproline II helixtrans-56.9120.5178.521.2-31000108.7C202 R206C202-P204 VanDerWaalsContact O-CD 3.28Å; C202-P204 WeakPolarHBondContact O-CD 3.47Å; P204-R206 PolarHBondContact O-N 3.15Å; P204-R206 VanDerWaalsContact O-N 3.15Å
205N69.5Low69.2Low149 Ų149104.6 Ų104.680%0.79762%0.623SS**PPolyproline II helixtrans-47.8124.2-177.4-7113.9000108.8A203 T207A203-N205 PolarHBondContact O-N 2.83Å; N205-T207 PolarHBondContact O-N 3.37Å; N205-T207 VanDerWaalsContact O-N 3.08Å
206R80.7Confident72.2Confident215 Ų215102.3 Ų102.381%0.81160%0.6SS**PPolyproline II helixtrans-58.5120.7175.6-175.9-177-168.4-148.71.9107.5P204 N208P204-R206 PolarHBondContact O-N 3.15Å; P204-R206 VanDerWaalsContact O-N 3.15Å; R206-N208 PolarHBondContact O-N 3.4Å
207T84.6Confident75.1Confident70 Ų7093.2 Ų93.243%0.42956%0.557SS.*PPolyproline II helixtrans-66.7117.8-179.854.90000109.2N205N205-T207 PolarHBondContact O-N 3.37Å; N205-T207 VanDerWaalsContact O-N 3.08Å
208N90.5Very high77.8Confident140 Ų14091 Ų9175%0.74953%0.531SS*.PPolyproline II helixtrans-94.3119.5169-74.2-61.5000108.2R206R206-N208 PolarHBondContact O-N 3.4Å
209F94.1Very high80.4Confident51 Ų5192.4 Ų92.422%0.22452%0.52CS..PPolyproline II helixtrans-81.5141.8174.8-58.9-61.2000109.8Q213 L214 L241 Q245 W249F209-Q213 VanDerWaalsContact CA-OE1 3.3Å; F209-Q213 HydrophobicContact CB-CB 4.22Å; F209-L214 HydrophobicContact CB-CD2 3.8Å; F209-L214 HydrophobicContact CB-CG 3.9Å; F209-L214 HydrophobicContact CD2-CD2 4.07Å; F209-L214 HydrophobicContact CG-CD2 4.31Å; F209-L241 HydrophobicContact CD1-CD1 3.75Å; F209-L241 HydrophobicContact CD1-CD2 3.79Å; F209-L241 HydrophobicContact CD1-CG 4.45Å; F209-L241 HydrophobicContact CE1-CD1 3.69Å; F209-L241 HydrophobicContact CE1-CD2 3.77Å; F209-L241 HydrophobicContact CE1-CG 4.35Å; F209-Q245 HydrophobicContact CE1-CB 4.22Å; F209-Q245 HydrophobicContact CZ-CB 4.17Å; F209-W249 AromaticContact CD2-CD1 3.99Å; F209-W249 AromaticContact CE2-CD1 3.77Å
210T97Very high82.8Confident74 Ų7487 Ų8745%0.45449%0.486SS..PPolyproline II helixtrans-67.8158.3172.871.50000110.4K212 Q213 L214T210-K212 PolarHBondContact O-N 2.85Å; T210-Q213 WeakPolarHBondContact O-CB 3.47Å; T210-Q213 PolarHBondContact O-N 2.92Å; T210-Q213 VanDerWaalsContact O-N 3.09Å; T210-Q213 VanDerWaalsContact OG1-CG 3.27Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.48Å; T210-Q213 PolarHBondContact OG1-N 2.91Å; T210-Q213 VanDerWaalsContact OG1-N 3.16Å; T210-L214 WeakPolarHBondContact O-CG 3.34Å; T210-L214 PolarHBondContact O-N 3.47Å
211T96.7Very high85.2Confident114 Ų11482.5 Ų82.570%0.69945%0.449SS*.Hα-helixtrans-55.4-42.7175.6-52.80000111.3Q213 L214 T215T211-Q213 PolarHBondContact O-N 3.35Å; T211-L214 PolarHBondContact O-N 3.17Å; T211-T215 HydrophobicContact CG2-CG2 4.5Å; T211-T215 WeakPolarHBondContact O-CG2 3.43Å; T211-T215 PolarHBondContact O-N 3.47Å; T211-T215 PolarHBondContact O-OG1 2.77Å
212K96Very high87.4Confident150 Ų15083.6 Ų83.665%0.65244%0.438SS*.Hα-helixtrans-59.5-43175.8-173.6-169.3176.5-159.70112.6T210 L214 T215 E216T210-K212 PolarHBondContact O-N 2.85Å; K212-L214 VanDerWaalsContact C-N 3.33Å; K212-L214 PolarHBondContact O-N 2.67Å; K212-T215 WeakPolarHBondContact CA-OG1 3.47Å; K212-T215 PolarHBondContact O-N 3.2Å; K212-T215 PolarHBondContact O-OG1 3.25Å; K212-E216 PolarHBondContact O-N 2.68Å; K212-E216 VanDerWaalsContact O-N 3.14Å
213Q97.4Very high89.9Confident30 Ų3083 Ų8314%0.1443%0.431CS..Hα-helixtrans-63-42.5176.9-73.3169.2-2300111.1F209 T210 T211 L217 L239 L241F209-Q213 VanDerWaalsContact CA-OE1 3.3Å; F209-Q213 HydrophobicContact CB-CB 4.22Å; T210-Q213 WeakPolarHBondContact O-CB 3.47Å; T210-Q213 PolarHBondContact O-N 2.92Å; T210-Q213 VanDerWaalsContact O-N 3.09Å; T210-Q213 VanDerWaalsContact OG1-CG 3.27Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.48Å; T210-Q213 PolarHBondContact OG1-N 2.91Å; T210-Q213 VanDerWaalsContact OG1-N 3.16Å; T211-Q213 PolarHBondContact O-N 3.35Å; Q213-L217 WeakPolarHBondContact O-CB 3.45Å; Q213-L217 WeakPolarHBondContact O-CD1 3.48Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 2.88Å; Q213-L239 HydrophobicContact CG-CB 4.27Å; Q213-L239 PolarHBondContact NE2-O 3.14Å; Q213-L241 HydrophobicContact CG-CD1 4.46Å
214L97.3Very high91.6Very high73 Ų7384.3 Ų84.338%0.38243%0.431SS..Hα-helixtrans-65.7-40.3178.3-66.9174000112.5F209 T210 T211 K212 L217 E218F209-L214 HydrophobicContact CB-CD2 3.8Å; F209-L214 HydrophobicContact CB-CG 3.9Å; F209-L214 HydrophobicContact CD2-CD2 4.07Å; F209-L214 HydrophobicContact CG-CD2 4.31Å; T210-L214 WeakPolarHBondContact O-CG 3.34Å; T210-L214 PolarHBondContact O-N 3.47Å; T211-L214 PolarHBondContact O-N 3.17Å; K212-L214 VanDerWaalsContact C-N 3.33Å; K212-L214 PolarHBondContact O-N 2.67Å; L214-L217 PolarHBondContact O-N 2.62Å; L214-E218 VanDerWaalsContact O-CB 3.29Å; L214-E218 WeakPolarHBondContact O-CB 3.28Å; L214-E218 PolarHBondContact O-N 3.06Å
215T96.5Very high93.1Very high76 Ų7686 Ų8647%0.46643%0.427SS..Hα-helixtrans-64.9-44.6178.951.50000111.7T211 K212 E218 K219T211-T215 HydrophobicContact CG2-CG2 4.5Å; T211-T215 WeakPolarHBondContact O-CG2 3.43Å; T211-T215 PolarHBondContact O-N 3.47Å; T211-T215 PolarHBondContact O-OG1 2.77Å; K212-T215 WeakPolarHBondContact CA-OG1 3.47Å; K212-T215 PolarHBondContact O-N 3.2Å; K212-T215 PolarHBondContact O-OG1 3.25Å; T215-E218 PolarHBondContact O-N 3.4Å; T215-K219 WeakPolarHBondContact O-CB 3.48Å; T215-K219 PolarHBondContact O-N 3Å
216E97.1Very high94.3Very high66 Ų6684.3 Ų84.331%0.30841%0.41SS..Hα-helixtrans-67.9-40.9176.7-70.9-55.6125.400111.8K212 E218 K219 E220 L239K212-E216 PolarHBondContact O-N 2.68Å; K212-E216 VanDerWaalsContact O-N 3.14Å; E216-E218 VanDerWaalsContact C-N 3.29Å; E216-E218 PolarHBondContact O-N 3.06Å; E216-K219 WeakPolarHBondContact O-CB 3.44Å; E216-K219 PolarHBondContact O-N 2.71Å; E216-K219 IonicContact OE1-NZ 3.97Å; E216-K219 IonicContact OE2-NZ 3.86Å; E216-K219 PolarHBondContact OE2-NZ 3.24Å; E216-E220 VanDerWaalsContact O-CG 3.3Å; E216-E220 WeakPolarHBondContact O-CG 3.43Å; E216-E220 PolarHBondContact O-N 3.5Å; E216-L239 HydrophobicContact CB-CD1 4.34Å; E216-L239 HydrophobicContact CB-CD2 3.71Å; E216-L239 HydrophobicContact CG-CD2 4.05Å
217L97.4Very high94.9Very high0 Ų075.6 Ų75.60%038%0.38CS..Hα-helixtrans-60.1-39.7174.4-74.2167.1000112.2Q213 L214 F221 I235 L239 L241 V246 W249 F250Q213-L217 WeakPolarHBondContact O-CB 3.45Å; Q213-L217 WeakPolarHBondContact O-CD1 3.48Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 2.88Å; L214-L217 PolarHBondContact O-N 2.62Å; L217-F221 WeakPolarHBondContact O-CB 3.32Å; L217-F221 PolarHBondContact O-N 3.3Å; L217-I235 HydrophobicContact CD2-CG2 3.9Å; L217-L239 HydrophobicContact CD1-CD1 4.3Å; L217-L239 HydrophobicContact CD2-CD1 3.82Å; L217-L239 HydrophobicContact CG-CD1 3.61Å; L217-L241 HydrophobicContact CD1-CD1 4.22Å; L217-V246 HydrophobicContact CD2-CG1 4.09Å; L217-W249 HydrophobicContact CB-CD2 3.91Å; L217-W249 HydrophobicContact CB-CE3 3.93Å; L217-W249 HydrophobicContact CB-CH2 3.76Å; L217-W249 HydrophobicContact CB-CZ2 3.69Å; L217-W249 HydrophobicContact CB-CZ3 3.86Å; L217-W249 HydrophobicContact CD1-CB 4.5Å; L217-W249 HydrophobicContact CD1-CD2 3.91Å; L217-W249 HydrophobicContact CD1-CG 3.83Å; L217-W249 HydrophobicContact CD2-CD2 4.38Å; L217-W249 HydrophobicContact CD2-CE3 4.27Å; L217-W249 HydrophobicContact CG-CD2 4.29Å; L217-W249 HydrophobicContact CG-CE3 4.48Å; L217-W249 WeakPolarHBondContact O-CH2 3.41Å; L217-W249 WeakPolarHBondContact O-CZ3 3.42Å; L217-F250 HydrophobicContact CD2-CE2 4.12Å
218E96.8Very high95.3Very high53 Ų5376 Ų7625%0.24838%0.382CS..Hα-helixtrans-69.2-41.1177.2-166.665.9-144.200111.6L214 T215 E216 F221 H222 W249 R253L214-E218 VanDerWaalsContact O-CB 3.29Å; L214-E218 WeakPolarHBondContact O-CB 3.28Å; L214-E218 PolarHBondContact O-N 3.06Å; T215-E218 PolarHBondContact O-N 3.4Å; E216-E218 VanDerWaalsContact C-N 3.29Å; E216-E218 PolarHBondContact O-N 3.06Å; E218-F221 WeakPolarHBondContact O-CB 3.37Å; E218-F221 PolarHBondContact O-N 3.4Å; E218-H222 PolarHBondContact O-N 3.04Å; E218-H222 VanDerWaalsContact O-N 3.15Å; E218-H222 PolarHBondContact O-ND1 3.04Å; E218-H222 IonicContact OE1-CE1 3.17Å; E218-H222 PolarHBondContact OE1-CE1 3.21Å; E218-H222 IonicContact OE1-ND1 3.84Å; E218-W249 HydrophobicContact CB-CH2 4.43Å; E218-R253 VanDerWaalsContact CD-NE 3.33Å; E218-R253 IonicContact OE1-CZ 2.87Å; E218-R253 IonicContact OE1-NE 3.9Å; E218-R253 PolarHBondContact OE1-NE 2.78Å; E218-R253 IonicContact OE1-NH2 3.07Å; E218-R253 PolarHBondContact OE1-NH2 3.37Å; E218-R253 WeakPolarHBondContact OE2-CD 3.45Å; E218-R253 IonicContact OE2-CZ 2.66Å; E218-R253 IonicContact OE2-NE 3.84Å; E218-R253 PolarHBondContact OE2-NE 2.89Å; E218-R253 IonicContact OE2-NH2 3.66Å
219K96.2Very high95.4Very high113 Ų11373.8 Ų73.849%0.49136%0.363SS..Hα-helixtrans-56.9-49.8172.6174.5-175.5165.1-162.90111.2T215 E216 F221 H222 T223T215-K219 WeakPolarHBondContact O-CB 3.48Å; T215-K219 PolarHBondContact O-N 3Å; E216-K219 WeakPolarHBondContact O-CB 3.44Å; E216-K219 PolarHBondContact O-N 2.71Å; E216-K219 IonicContact OE1-NZ 3.97Å; E216-K219 IonicContact OE2-NZ 3.86Å; E216-K219 PolarHBondContact OE2-NZ 3.24Å; K219-F221 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 3.35Å; K219-H222 PolarHBondContact O-N 2.92Å; K219-H222 VanDerWaalsContact O-N 3.16Å; K219-T223 PolarHBondContact O-N 3.47Å; K219-T223 PolarHBondContact O-OG1 3.25Å
220E96Very high95.5Very high19 Ų1974.2 Ų74.29%0.08938%0.376CS..Hα-helixtrans-61.5-36.5177.2-68.7-62.2137.400112.8E216 H222 T223 N224 R231 I235 F250E216-E220 VanDerWaalsContact O-CG 3.3Å; E216-E220 WeakPolarHBondContact O-CG 3.43Å; E216-E220 PolarHBondContact O-N 3.5Å; E220-H222 VanDerWaalsContact C-N 3.31Å; E220-H222 PolarHBondContact O-N 3.17Å; E220-T223 WeakPolarHBondContact O-CB 3.33Å; E220-T223 PolarHBondContact O-N 2.93Å; E220-N224 PolarHBondContact O-N 3.23Å; E220-R231 IonicContact OE1-CZ 2.68Å; E220-R231 IonicContact OE1-NH2 3.7Å; E220-R231 PolarHBondContact OE1-NH2 2.9Å; E220-R231 IonicContact OE2-CZ 3.22Å; E220-R231 IonicContact OE2-NE 3.93Å; E220-R231 PolarHBondContact OE2-NE 3.05Å; E220-R231 IonicContact OE2-NH2 3.2Å; E220-R231 PolarHBondContact OE2-NH2 2.78Å; E220-I235 HydrophobicContact CB-CD1 3.78Å; E220-I235 HydrophobicContact CG-CD1 3.57Å; E220-I235 HydrophobicContact CG-CG1 3.96Å; E220-F250 HydrophobicContact CB-CZ 3.94Å
221F96.6Very high95.4Very high1 Ų174.7 Ų74.70%0.00437%0.37CS..Hα-helixtrans-64.6-33.4176.5-175.2-103000113.4L217 E218 K219 N224 R225 W249 F250 R253 R254 Q257L217-F221 WeakPolarHBondContact O-CB 3.32Å; L217-F221 PolarHBondContact O-N 3.3Å; E218-F221 WeakPolarHBondContact O-CB 3.37Å; E218-F221 PolarHBondContact O-N 3.4Å; K219-F221 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 3.35Å; F221-N224 CarbonylContact O-C 3.35Å; F221-R225 HydrophobicContact CD2-CB 4.48Å; F221-R225 HydrophobicContact CD2-CG 4.47Å; F221-R225 HydrophobicContact CE1-CG 4.13Å; F221-R225 HydrophobicContact CE2-CB 3.92Å; F221-R225 HydrophobicContact CE2-CG 3.98Å; F221-R225 HydrophobicContact CZ-CB 4.17Å; F221-R225 HydrophobicContact CZ-CG 3.79Å; F221-R225 WeakPolarHBondContact O-CG 3.42Å; F221-R225 PolarHBondContact O-N 3.08Å; F221-W249 HydrophobicContact CB-CH2 4.22Å; F221-W249 HydrophobicContact CB-CZ3 3.99Å; F221-W249 HydrophobicContact CD2-CZ3 4.46Å; F221-W249 HydrophobicContact CG-CZ3 4.4Å; F221-F250 HydrophobicContact CB-CE1 4.23Å; F221-F250 AromaticContact CD2-CD1 3.87Å; F221-F250 HydrophobicContact CD2-CD1 3.87Å; F221-F250 AromaticContact CD2-CE1 3.99Å; F221-F250 HydrophobicContact CD2-CE1 3.99Å; F221-R253 HydrophobicContact CD1-CG 3.74Å; F221-R253 HydrophobicContact CD2-CB 4.29Å; F221-R253 HydrophobicContact CD2-CG 3.67Å; F221-R253 HydrophobicContact CE1-CG 3.77Å; F221-R253 HydrophobicContact CE2-CB 4.23Å; F221-R253 HydrophobicContact CE2-CG 3.71Å; F221-R253 HydrophobicContact CG-CG 3.69Å; F221-R253 HydrophobicContact CZ-CG 3.76Å; F221-R254 HydrophobicContact CE2-CG 3.73Å; F221-R254 HydrophobicContact CZ-CG 4.17Å; F221-Q257 VanDerWaalsContact CE1-OE1 3.3Å
222H93.6Very high95.4Very high114 Ų11470.1 Ų70.153%0.52834%0.34SS..Hα-helixtrans-72.7-37.1174.6-71.692000111.7E218 K219 E220E218-H222 PolarHBondContact O-N 3.04Å; E218-H222 VanDerWaalsContact O-N 3.15Å; E218-H222 PolarHBondContact O-ND1 3.04Å; E218-H222 IonicContact OE1-CE1 3.17Å; E218-H222 PolarHBondContact OE1-CE1 3.21Å; E218-H222 IonicContact OE1-ND1 3.84Å; K219-H222 PolarHBondContact O-N 2.92Å; K219-H222 VanDerWaalsContact O-N 3.16Å; E220-H222 VanDerWaalsContact C-N 3.31Å; E220-H222 PolarHBondContact O-N 3.17Å
223T95Very high95.4Very high107 Ų10766.9 Ų66.966%0.65633%0.329SS*.Hα-helixtrans-63-50.4173.2-53.20000111.2K219 E220K219-T223 PolarHBondContact O-N 3.47Å; K219-T223 PolarHBondContact O-OG1 3.25Å; E220-T223 WeakPolarHBondContact O-CB 3.33Å; E220-T223 PolarHBondContact O-N 2.93Å
224N92.7Very high95.4Very high78 Ų7869.7 Ų69.742%0.41734%0.342SS..  trans-149.7117.9177.8-175.1-2.8000111.5E220 F221 Y226 F250E220-N224 PolarHBondContact O-N 3.23Å; F221-N224 CarbonylContact O-C 3.35Å; N224-Y226 PolarHBondContact ND2-O 3.26Å; N224-Y226 PolarHBondContact O-N 2.89Å; N224-Y226 PolarHBondContact OD1-N 2.69Å; N224-Y226 PolarHBondContact OD1-O 3.4Å; N224-F250 WeakPolarHBondContact O-CE1 3.3Å
225R93.4Very high95.4Very high113 Ų11366.4 Ų66.443%0.42633%0.325SS..SBendtrans-69.5-17.3-179.8-65.9-178.7169.982.62.9113.6F221 R254F221-R225 HydrophobicContact CD2-CB 4.48Å; F221-R225 HydrophobicContact CD2-CG 4.47Å; F221-R225 HydrophobicContact CE1-CG 4.13Å; F221-R225 HydrophobicContact CE2-CB 3.92Å; F221-R225 HydrophobicContact CE2-CG 3.98Å; F221-R225 HydrophobicContact CZ-CB 4.17Å; F221-R225 HydrophobicContact CZ-CG 3.79Å; F221-R225 WeakPolarHBondContact O-CG 3.42Å; F221-R225 PolarHBondContact O-N 3.08Å; R225-R254 WeakPolarHBondContact O-CD 3.38Å
226Y95.4Very high95.4Very high113 Ų11363.1 Ų63.144%0.44331%0.305SS..SBendtrans-124.8108-176.4-70.2-101.8000110.4N224N224-Y226 PolarHBondContact ND2-O 3.26Å; N224-Y226 PolarHBondContact O-N 2.89Å; N224-Y226 PolarHBondContact OD1-N 2.69Å; N224-Y226 PolarHBondContact OD1-O 3.4Å
227L91.9Very high95.4Very high33 Ų3363.9 Ų63.917%0.17332%0.322CS..  trans-79.2129.3-171.6-170.963.3000113R231 R232 I235 V246 F250L227-R231 HydrophobicContact CD1-CB 3.64Å; L227-R231 HydrophobicContact CD1-CG 3.48Å; L227-R231 VanDerWaalsContact CD1-CG 3.48Å; L227-R232 HydrophobicContact CD2-CB 3.6Å; L227-R232 HydrophobicContact CD2-CG 3.71Å; L227-R232 HydrophobicContact CG-CB 3.91Å; L227-I235 HydrophobicContact CD1-CD1 3.7Å; L227-V246 HydrophobicContact CD2-CG1 3.57Å; L227-F250 HydrophobicContact CB-CD1 4.21Å; L227-F250 HydrophobicContact CB-CE1 4.38Å; L227-F250 HydrophobicContact CB-CG 4.38Å; L227-F250 HydrophobicContact CD1-CZ 4.36Å; L227-F250 HydrophobicContact CD2-CD2 4.02Å; L227-F250 HydrophobicContact CD2-CE2 4.08Å; L227-F250 HydrophobicContact CD2-CG 4.44Å
228T93.9Very high95.4Very high77 Ų7770 Ų7047%0.47235%0.354SS..  trans-76.4162.4170.164.60000111.3R231 R232T228-R231 PolarHBondContact O-N 3.48Å; T228-R231 WeakPolarHBondContact OG1-CB 3.4Å; T228-R231 PolarHBondContact OG1-N 3.43Å; T228-R232 WeakPolarHBondContact O-CB 3.44Å; T228-R232 PolarHBondContact O-N 3.17Å
229R93.5Very high95.3Very high95 Ų9568.4 Ų68.436%0.35835%0.348SS..Hα-helixtrans-57.5-51.3176.9-178.675-171.5130.611.7111.7D40 R231 R232 I233 E243D40-R229 IonicContact OD1-CZ 3.6Å; D40-R229 IonicContact OD1-NE 2.67Å; D40-R229 WeakPolarHBondContact OD2-CD 3.28Å; D40-R229 IonicContact OD2-CZ 3.89Å; D40-R229 IonicContact OD2-NE 3.54Å; D40-R229 PolarHBondContact OD2-NE 3.05Å; D40-R229 IonicContact OD2-NH1 3.68Å; D40-R229 PolarHBondContact OD2-NH1 3.2Å; R229-R231 PolarHBondContact O-N 3.08Å; R229-R232 VanDerWaalsContact O-CB 3.31Å; R229-R232 WeakPolarHBondContact O-CB 3.46Å; R229-R232 PolarHBondContact O-N 2.88Å; R229-R232 VanDerWaalsContact O-N 3.16Å; R229-I233 HydrophobicContact CG-CD1 4.38Å; R229-I233 PolarHBondContact O-N 3.06Å; R229-E243 IonicContact CZ-OE1 3.61Å; R229-E243 IonicContact CZ-OE2 3.75Å; R229-E243 VanDerWaalsContact NH1-CD 3.3Å; R229-E243 IonicContact NH1-OE1 3.46Å; R229-E243 PolarHBondContact NH1-OE1 3.23Å; R229-E243 IonicContact NH1-OE2 2.67Å; R229-E243 PolarHBondContact NH1-OE2 3.1Å; R229-E243 IonicContact NH2-OE1 3.13Å; R229-E243 PolarHBondContact NH2-OE1 3.43Å; R229-E243 IonicContact NH2-OE2 3.29Å; R229-E243 PolarHBondContact NH2-OE2 3.14Å
230A95.2Very high95.3Very high59 Ų5966.3 Ų66.349%0.48836%0.358SS..Hα-helixtrans-57.5-49.7179.800000112.1R232 I233 E234A230-R232 PolarHBondContact O-N 3.33Å; A230-I233 PolarHBondContact O-N 3.17Å; A230-I233 VanDerWaalsContact O-N 3.12Å; A230-E234 PolarHBondContact O-N 2.85Å; A230-E234 VanDerWaalsContact O-N 3.16Å
231R95.1Very high95.3Very high84 Ų8466.3 Ų66.332%0.31736%0.358SS..Hα-helixtrans-64.5-29.9179.6-170.755.2171.5-168.6-1.3112.5E220 L227 T228 R229 E234 I235E220-R231 IonicContact OE1-CZ 2.68Å; E220-R231 IonicContact OE1-NH2 3.7Å; E220-R231 PolarHBondContact OE1-NH2 2.9Å; E220-R231 IonicContact OE2-CZ 3.22Å; E220-R231 IonicContact OE2-NE 3.93Å; E220-R231 PolarHBondContact OE2-NE 3.05Å; E220-R231 IonicContact OE2-NH2 3.2Å; E220-R231 PolarHBondContact OE2-NH2 2.78Å; L227-R231 HydrophobicContact CD1-CB 3.64Å; L227-R231 HydrophobicContact CD1-CG 3.48Å; L227-R231 VanDerWaalsContact CD1-CG 3.48Å; T228-R231 PolarHBondContact O-N 3.48Å; T228-R231 WeakPolarHBondContact OG1-CB 3.4Å; T228-R231 PolarHBondContact OG1-N 3.43Å; R229-R231 PolarHBondContact O-N 3.08Å; R231-E234 VanDerWaalsContact CD-OE2 3.24Å; R231-E234 WeakPolarHBondContact CD-OE2 3.44Å; R231-E234 IonicContact CZ-OE2 2.94Å; R231-E234 IonicContact NE-OE2 2.83Å; R231-E234 IonicContact NH1-OE2 3.69Å; R231-E234 PolarHBondContact NH1-OE2 2.9Å; R231-E234 PolarHBondContact O-N 3.15Å; R231-I235 HydrophobicContact CG-CD1 3.92Å; R231-I235 HydrophobicContact CG-CG1 4.38Å; R231-I235 VanDerWaalsContact O-CG1 3.29Å; R231-I235 WeakPolarHBondContact O-CG1 3.39Å; R231-I235 PolarHBondContact O-N 3.43Å
232R97Very high95.2Very high19 Ų1971.4 Ų71.47%0.07239%0.386CS..Hα-helixtrans-63-43.8174.2-169.6-168.1-54.1162.310.8112.3D40 L227 T228 R229 A230 A236 E243 V246D40-R232 IonicContact OD2-CZ 2.75Å; D40-R232 IonicContact OD2-NH1 2.77Å; D40-R232 PolarHBondContact OD2-NH1 2.66Å; D40-R232 IonicContact OD2-NH2 2.69Å; L227-R232 HydrophobicContact CD2-CB 3.6Å; L227-R232 HydrophobicContact CD2-CG 3.71Å; L227-R232 HydrophobicContact CG-CB 3.91Å; T228-R232 WeakPolarHBondContact O-CB 3.44Å; T228-R232 PolarHBondContact O-N 3.17Å; R229-R232 VanDerWaalsContact O-CB 3.31Å; R229-R232 WeakPolarHBondContact O-CB 3.46Å; R229-R232 PolarHBondContact O-N 2.88Å; R229-R232 VanDerWaalsContact O-N 3.16Å; A230-R232 PolarHBondContact O-N 3.33Å; R232-A236 WeakPolarHBondContact O-CB 3.28Å; R232-A236 PolarHBondContact O-N 3.16Å; R232-E243 HydrophobicContact CG-CB 4.2Å; R232-V246 HydrophobicContact CG-CB 4.41Å; R232-V246 HydrophobicContact CG-CG1 4.44Å
233I96.6Very high95.2Very high82 Ų8268.6 Ų68.642%0.42137%0.373SS..Hα-helixtrans-63.5-46178.7-63.7165.2000109.7R229 A230 A236 A237 E243R229-I233 HydrophobicContact CG-CD1 4.38Å; R229-I233 PolarHBondContact O-N 3.06Å; A230-I233 PolarHBondContact O-N 3.17Å; A230-I233 VanDerWaalsContact O-N 3.12Å; I233-A236 PolarHBondContact O-N 3.35Å; I233-A237 PolarHBondContact O-N 3.31Å; I233-E243 WeakPolarHBondContact CG1-OE2 3.47Å
234E96.8Very high95.1Very high89 Ų8965.9 Ų65.942%0.41636%0.356SS..Hα-helixtrans-59.3-51.5178.5-69169.3-161.200112.3A230 R231 A236 A237 L238A230-E234 PolarHBondContact O-N 2.85Å; A230-E234 VanDerWaalsContact O-N 3.16Å; R231-E234 VanDerWaalsContact CD-OE2 3.24Å; R231-E234 WeakPolarHBondContact CD-OE2 3.44Å; R231-E234 IonicContact CZ-OE2 2.94Å; R231-E234 IonicContact NE-OE2 2.83Å; R231-E234 IonicContact NH1-OE2 3.69Å; R231-E234 PolarHBondContact NH1-OE2 2.9Å; R231-E234 PolarHBondContact O-N 3.15Å; E234-A236 VanDerWaalsContact C-N 3.31Å; E234-A236 PolarHBondContact O-N 2.75Å; E234-A237 PolarHBondContact O-N 2.94Å; E234-L238 WeakPolarHBondContact O-CB 3.46Å; E234-L238 VanDerWaalsContact O-CG 3.27Å; E234-L238 WeakPolarHBondContact O-CG 3.28Å; E234-L238 PolarHBondContact O-N 3.07Å
235I96.7Very high95.2Very high4 Ų464.1 Ų64.12%0.02135%0.345CS..Hα-helixtrans-63.2-40.1-180-65.8170000110.9L217 E220 L227 R231 L238 L239 V246 F250L217-I235 HydrophobicContact CD2-CG2 3.9Å; E220-I235 HydrophobicContact CB-CD1 3.78Å; E220-I235 HydrophobicContact CG-CD1 3.57Å; E220-I235 HydrophobicContact CG-CG1 3.96Å; L227-I235 HydrophobicContact CD1-CD1 3.7Å; R231-I235 HydrophobicContact CG-CD1 3.92Å; R231-I235 HydrophobicContact CG-CG1 4.38Å; R231-I235 VanDerWaalsContact O-CG1 3.29Å; R231-I235 WeakPolarHBondContact O-CG1 3.39Å; R231-I235 PolarHBondContact O-N 3.43Å; I235-L238 PolarHBondContact O-N 2.98Å; I235-L239 HydrophobicContact CG2-CD1 3.71Å; I235-L239 HydrophobicContact CG2-CG 4.23Å; I235-L239 WeakPolarHBondContact O-CB 3.41Å; I235-L239 WeakPolarHBondContact O-CG 3.33Å; I235-L239 PolarHBondContact O-N 3.34Å; I235-V246 HydrophobicContact CB-CG1 4.36Å; I235-V246 HydrophobicContact CG2-CG1 3.92Å; I235-V246 HydrophobicContact CG2-CG2 4.21Å; I235-F250 HydrophobicContact CD1-CE2 4.41Å; I235-F250 HydrophobicContact CD1-CZ 4.37Å
236A97.1Very high95.3Very high7 Ų758.7 Ų58.76%0.05833%0.325CS..Hα-helixtrans-59.1-47.7177.300000111.4R232 I233 E234 L239 G240 L241 E243 V246R232-A236 WeakPolarHBondContact O-CB 3.28Å; R232-A236 PolarHBondContact O-N 3.16Å; I233-A236 PolarHBondContact O-N 3.35Å; E234-A236 VanDerWaalsContact C-N 3.31Å; E234-A236 PolarHBondContact O-N 2.75Å; A236-L239 PolarHBondContact O-N 3.42Å; A236-G240 PolarHBondContact O-N 2.95Å; A236-L241 CarbonylContact C-O 3.56Å; A236-L241 WeakPolarHBondContact CA-O 3.13Å; A236-L241 VanDerWaalsContact CB-O 3.28Å; A236-L241 WeakPolarHBondContact CB-O 3.32Å; A236-L241 PolarHBondContact O-N 3.38Å; A236-E243 HydrophobicContact CB-CG 3.93Å; A236-V246 HydrophobicContact CB-CG2 4.22Å
237A97.2Very high95.3Very high81 Ų8155.9 Ų55.967%0.66932%0.315SS*.Hα-helixtrans-63.5-46.2176.900000112.3I233 E234 L239 G240I233-A237 PolarHBondContact O-N 3.31Å; E234-A237 PolarHBondContact O-N 2.94Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 2.98Å; A237-G240 PolarHBondContact O-N 3.26Å
238L96.4Very high95.3Very high129 Ų12958 Ų5868%0.67533%0.325SS*.Hα-helixtrans-62.9-33.8-179.5-72.4172.1000113.3E234 I235E234-L238 WeakPolarHBondContact O-CB 3.46Å; E234-L238 VanDerWaalsContact O-CG 3.27Å; E234-L238 WeakPolarHBondContact O-CG 3.28Å; E234-L238 PolarHBondContact O-N 3.07Å; I235-L238 PolarHBondContact O-N 2.98Å
239L96.1Very high95.4Very high20 Ų2055.9 Ų55.911%0.10531%0.309CS..Hα-helixtrans-98.9-5.8-175.5-61.9-173.9000114.3Q213 E216 L217 I235 A236 A237 L241Q213-L239 HydrophobicContact CG-CB 4.27Å; Q213-L239 PolarHBondContact NE2-O 3.14Å; E216-L239 HydrophobicContact CB-CD1 4.34Å; E216-L239 HydrophobicContact CB-CD2 3.71Å; E216-L239 HydrophobicContact CG-CD2 4.05Å; L217-L239 HydrophobicContact CD1-CD1 4.3Å; L217-L239 HydrophobicContact CD2-CD1 3.82Å; L217-L239 HydrophobicContact CG-CD1 3.61Å; I235-L239 HydrophobicContact CG2-CD1 3.71Å; I235-L239 HydrophobicContact CG2-CG 4.23Å; I235-L239 WeakPolarHBondContact O-CB 3.41Å; I235-L239 WeakPolarHBondContact O-CG 3.33Å; I235-L239 PolarHBondContact O-N 3.34Å; A236-L239 PolarHBondContact O-N 3.42Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 2.98Å; L239-L241 VanDerWaalsContact C-N 3.29Å; L239-L241 HydrophobicContact CB-CB 4.46Å; L239-L241 HydrophobicContact CB-CD1 3.98Å; L239-L241 HydrophobicContact CB-CG 3.9Å; L239-L241 HydrophobicContact CD1-CD1 4.22Å
240G95.9Very high95.6Very high68 Ų6851.5 Ų51.570%0.70129%0.293SS*.THydrogen-bonded Turntrans62.337.7-172.800000112.3A236 A237A236-G240 PolarHBondContact O-N 2.95Å; A237-G240 PolarHBondContact O-N 3.26Å
241L94.9Very high95.5Very high19 Ų1952.6 Ų52.610%0.09929%0.287CS..  trans-115.4155.6-178.9-64.1-178.6000110.7F209 Q213 L217 A236 L239 V246F209-L241 HydrophobicContact CD1-CD1 3.75Å; F209-L241 HydrophobicContact CD1-CD2 3.79Å; F209-L241 HydrophobicContact CD1-CG 4.45Å; F209-L241 HydrophobicContact CE1-CD1 3.69Å; F209-L241 HydrophobicContact CE1-CD2 3.77Å; F209-L241 HydrophobicContact CE1-CG 4.35Å; Q213-L241 HydrophobicContact CG-CD1 4.46Å; L217-L241 HydrophobicContact CD1-CD1 4.22Å; A236-L241 CarbonylContact C-O 3.56Å; A236-L241 WeakPolarHBondContact CA-O 3.13Å; A236-L241 VanDerWaalsContact CB-O 3.28Å; A236-L241 WeakPolarHBondContact CB-O 3.32Å; A236-L241 PolarHBondContact O-N 3.38Å; L239-L241 VanDerWaalsContact C-N 3.29Å; L239-L241 HydrophobicContact CB-CB 4.46Å; L239-L241 HydrophobicContact CB-CD1 3.98Å; L239-L241 HydrophobicContact CB-CG 3.9Å; L239-L241 HydrophobicContact CD1-CD1 4.22Å; L241-V246 HydrophobicContact CB-CG2 4.19Å
242N94.3Very high95.5Very high109 Ų10953.2 Ų53.258%0.58330%0.297SS*.  trans-71.5144.2170.4-73.2-46.5000110.8T244 Q245 V246N242-T244 PolarHBondContact O-N 3.01Å; N242-T244 VanDerWaalsContact O-N 3.14Å; N242-Q245 HydrophobicContact CB-CB 4.49Å; N242-Q245 HydrophobicContact CB-CG 4.04Å; N242-Q245 WeakPolarHBondContact O-CA 3.4Å; N242-Q245 VanDerWaalsContact O-CB 3.3Å; N242-Q245 WeakPolarHBondContact O-CB 3.31Å; N242-Q245 PolarHBondContact O-N 2.96Å; N242-V246 PolarHBondContact O-N 2.84Å; N242-V246 VanDerWaalsContact O-N 3.17Å
243E94.9Very high95.5Very high55 Ų5554.6 Ų54.626%0.25730%0.302SS..Hα-helixtrans-54.7-37.7177.1-60.4-161.7-96.500112.9R229 R232 I233 A236 Q245 V246 K247R229-E243 IonicContact CZ-OE1 3.61Å; R229-E243 IonicContact CZ-OE2 3.75Å; R229-E243 VanDerWaalsContact NH1-CD 3.3Å; R229-E243 IonicContact NH1-OE1 3.46Å; R229-E243 PolarHBondContact NH1-OE1 3.23Å; R229-E243 IonicContact NH1-OE2 2.67Å; R229-E243 PolarHBondContact NH1-OE2 3.1Å; R229-E243 IonicContact NH2-OE1 3.13Å; R229-E243 PolarHBondContact NH2-OE1 3.43Å; R229-E243 IonicContact NH2-OE2 3.29Å; R229-E243 PolarHBondContact NH2-OE2 3.14Å; R232-E243 HydrophobicContact CG-CB 4.2Å; I233-E243 WeakPolarHBondContact CG1-OE2 3.47Å; A236-E243 HydrophobicContact CB-CG 3.93Å; E243-Q245 VanDerWaalsContact C-N 3.33Å; E243-Q245 PolarHBondContact O-N 3.42Å; E243-V246 PolarHBondContact O-N 3.39Å; E243-K247 WeakPolarHBondContact O-CB 3.42Å; E243-K247 PolarHBondContact O-N 3.5Å
244T92.5Very high95.4Very high50 Ų5054.2 Ų54.231%0.30730%0.295SS..Hα-helixtrans-60.9-39.6174-60.50000112.1V44 N242 K247 I248V44-T244 HydrophobicContact CG1-CG2 3.91Å; N242-T244 PolarHBondContact O-N 3.01Å; N242-T244 VanDerWaalsContact O-N 3.14Å; T244-K247 PolarHBondContact O-N 2.67Å; T244-I248 HydrophobicContact CG2-CD1 3.75Å; T244-I248 HydrophobicContact CG2-CG1 4.41Å; T244-I248 WeakPolarHBondContact O-CB 3.25Å; T244-I248 VanDerWaalsContact O-CG1 3.23Å; T244-I248 WeakPolarHBondContact O-CG1 3.39Å; T244-I248 PolarHBondContact O-N 2.82Å
245Q94.2Very high95Very high40 Ų4054.9 Ų54.919%0.18730%0.3CS..Hα-helixtrans-66-44.6177.9-68.1167.5-30.300110.7F209 N242 E243 I248 W249F209-Q245 HydrophobicContact CE1-CB 4.22Å; F209-Q245 HydrophobicContact CZ-CB 4.17Å; N242-Q245 HydrophobicContact CB-CB 4.49Å; N242-Q245 HydrophobicContact CB-CG 4.04Å; N242-Q245 WeakPolarHBondContact O-CA 3.4Å; N242-Q245 VanDerWaalsContact O-CB 3.3Å; N242-Q245 WeakPolarHBondContact O-CB 3.31Å; N242-Q245 PolarHBondContact O-N 2.96Å; E243-Q245 VanDerWaalsContact C-N 3.33Å; E243-Q245 PolarHBondContact O-N 3.42Å; Q245-I248 PolarHBondContact O-N 2.97Å; Q245-W249 WeakPolarHBondContact O-CB 3.3Å; Q245-W249 PolarHBondContact O-N 3.44Å
246V95.7Very high94.7Very high0 Ų062 Ų620%033%0.33CS..Hα-helixtrans-61.1-48176-177.20000110.3L217 L227 R232 I235 A236 L241 N242 E243 I248 W249 F250L217-V246 HydrophobicContact CD2-CG1 4.09Å; L227-V246 HydrophobicContact CD2-CG1 3.57Å; R232-V246 HydrophobicContact CG-CB 4.41Å; R232-V246 HydrophobicContact CG-CG1 4.44Å; I235-V246 HydrophobicContact CB-CG1 4.36Å; I235-V246 HydrophobicContact CG2-CG1 3.92Å; I235-V246 HydrophobicContact CG2-CG2 4.21Å; A236-V246 HydrophobicContact CB-CG2 4.22Å; L241-V246 HydrophobicContact CB-CG2 4.19Å; N242-V246 PolarHBondContact O-N 2.84Å; N242-V246 VanDerWaalsContact O-N 3.17Å; E243-V246 PolarHBondContact O-N 3.39Å; V246-I248 PolarHBondContact O-N 3.19Å; V246-W249 PolarHBondContact O-N 2.89Å; V246-W249 VanDerWaalsContact O-N 3.15Å; V246-F250 HydrophobicContact CG1-CD2 3.95Å; V246-F250 HydrophobicContact CG1-CE2 3.94Å; V246-F250 WeakPolarHBondContact O-CD2 3.32Å; V246-F250 PolarHBondContact O-N 3.01Å
247K95Very high94.4Very high54 Ų5464.5 Ų64.524%0.23534%0.341CS..Hα-helixtrans-55.9-48.6176.4-177.9179.9179.5175.10112.1N38 E243 T244 W249 F250 Q251N38-K247 VanDerWaalsContact OD1-CE 3.26Å; N38-K247 WeakPolarHBondContact OD1-CE 3.45Å; E243-K247 WeakPolarHBondContact O-CB 3.42Å; E243-K247 PolarHBondContact O-N 3.5Å; T244-K247 PolarHBondContact O-N 2.67Å; K247-W249 VanDerWaalsContact C-N 3.35Å; K247-F250 PolarHBondContact O-N 3.46Å; K247-Q251 WeakPolarHBondContact O-CB 3.37Å; K247-Q251 PolarHBondContact O-N 3.03Å
248I92.8Very high94Very high77 Ų7765.5 Ų65.540%0.39533%0.33SS..Hα-helixtrans-65.4-38.6178.3-70.9170.8000111T244 Q245 V246 Q251 N252T244-I248 HydrophobicContact CG2-CD1 3.75Å; T244-I248 HydrophobicContact CG2-CG1 4.41Å; T244-I248 WeakPolarHBondContact O-CB 3.25Å; T244-I248 VanDerWaalsContact O-CG1 3.23Å; T244-I248 WeakPolarHBondContact O-CG1 3.39Å; T244-I248 PolarHBondContact O-N 2.82Å; Q245-I248 PolarHBondContact O-N 2.97Å; V246-I248 PolarHBondContact O-N 3.19Å; I248-Q251 PolarHBondContact O-N 2.95Å; I248-N252 WeakPolarHBondContact CG2-ND2 3.12Å; I248-N252 WeakPolarHBondContact O-CB 3.37Å; I248-N252 VanDerWaalsContact O-CG 3.28Å; I248-N252 PolarHBondContact O-N 2.98Å; I248-N252 PolarHBondContact O-ND2 3.12Å
249W96.5Very high93.3Very high32 Ų3265.4 Ų65.412%0.12133%0.325CS..Hα-helixtrans-61.8-49.1177.4-171.9102.4000111F209 L217 E218 F221 Q245 V246 K247 Q251 N252 R253F209-W249 AromaticContact CD2-CD1 3.99Å; F209-W249 AromaticContact CE2-CD1 3.77Å; L217-W249 HydrophobicContact CB-CD2 3.91Å; L217-W249 HydrophobicContact CB-CE3 3.93Å; L217-W249 HydrophobicContact CB-CH2 3.76Å; L217-W249 HydrophobicContact CB-CZ2 3.69Å; L217-W249 HydrophobicContact CB-CZ3 3.86Å; L217-W249 HydrophobicContact CD1-CB 4.5Å; L217-W249 HydrophobicContact CD1-CD2 3.91Å; L217-W249 HydrophobicContact CD1-CG 3.83Å; L217-W249 HydrophobicContact CD2-CD2 4.38Å; L217-W249 HydrophobicContact CD2-CE3 4.27Å; L217-W249 HydrophobicContact CG-CD2 4.29Å; L217-W249 HydrophobicContact CG-CE3 4.48Å; L217-W249 WeakPolarHBondContact O-CH2 3.41Å; L217-W249 WeakPolarHBondContact O-CZ3 3.42Å; E218-W249 HydrophobicContact CB-CH2 4.43Å; F221-W249 HydrophobicContact CB-CH2 4.22Å; F221-W249 HydrophobicContact CB-CZ3 3.99Å; F221-W249 HydrophobicContact CD2-CZ3 4.46Å; F221-W249 HydrophobicContact CG-CZ3 4.4Å; Q245-W249 WeakPolarHBondContact O-CB 3.3Å; Q245-W249 PolarHBondContact O-N 3.44Å; V246-W249 PolarHBondContact O-N 2.89Å; V246-W249 VanDerWaalsContact O-N 3.15Å; K247-W249 VanDerWaalsContact C-N 3.35Å; W249-Q251 VanDerWaalsContact C-N 3.31Å; W249-Q251 PolarHBondContact O-N 3.47Å; W249-N252 PolarHBondContact O-N 3.43Å; W249-R253 HydrophobicContact CD2-CB 4.49Å; W249-R253 HydrophobicContact CE3-CB 4.02Å; W249-R253 HydrophobicContact CH2-CB 4.04Å; W249-R253 HydrophobicContact CH2-CG 3.7Å; W249-R253 HydrophobicContact CZ2-CG 4.42Å; W249-R253 HydrophobicContact CZ3-CB 3.77Å; W249-R253 HydrophobicContact CZ3-CG 3.77Å; W249-R253 VanDerWaalsContact O-CB 3.27Å; W249-R253 WeakPolarHBondContact O-CB 3.14Å; W249-R253 PolarHBondContact O-N 2.85Å
250F97.3Very high92.5Very high4 Ų469.2 Ų69.22%0.01834%0.342CS..Hα-helixtrans-61.6-38.3176.4-89.1-101.7000112.2L217 E220 F221 N224 L227 I235 V246 K247 R254L217-F250 HydrophobicContact CD2-CE2 4.12Å; E220-F250 HydrophobicContact CB-CZ 3.94Å; F221-F250 HydrophobicContact CB-CE1 4.23Å; F221-F250 AromaticContact CD2-CD1 3.87Å; F221-F250 HydrophobicContact CD2-CD1 3.87Å; F221-F250 AromaticContact CD2-CE1 3.99Å; F221-F250 HydrophobicContact CD2-CE1 3.99Å; N224-F250 WeakPolarHBondContact O-CE1 3.3Å; L227-F250 HydrophobicContact CB-CD1 4.21Å; L227-F250 HydrophobicContact CB-CE1 4.38Å; L227-F250 HydrophobicContact CB-CG 4.38Å; L227-F250 HydrophobicContact CD1-CZ 4.36Å; L227-F250 HydrophobicContact CD2-CD2 4.02Å; L227-F250 HydrophobicContact CD2-CE2 4.08Å; L227-F250 HydrophobicContact CD2-CG 4.44Å; I235-F250 HydrophobicContact CD1-CE2 4.41Å; I235-F250 HydrophobicContact CD1-CZ 4.37Å; V246-F250 HydrophobicContact CG1-CD2 3.95Å; V246-F250 HydrophobicContact CG1-CE2 3.94Å; V246-F250 WeakPolarHBondContact O-CD2 3.32Å; V246-F250 PolarHBondContact O-N 3.01Å; K247-F250 PolarHBondContact O-N 3.46Å; F250-R254 WeakPolarHBondContact O-CG 3.26Å; F250-R254 PolarHBondContact O-N 2.9Å; F250-R254 PolarHBondContact O-NE 3.26Å
251Q93.6Very high91.4Very high81 Ų8171.5 Ų71.538%0.37934%0.337SS..Hα-helixtrans-62.5-50.2174.1-173178.94800111.4K247 I248 W249 R253 R254 M255K247-Q251 WeakPolarHBondContact O-CB 3.37Å; K247-Q251 PolarHBondContact O-N 3.03Å; I248-Q251 PolarHBondContact O-N 2.95Å; W249-Q251 VanDerWaalsContact C-N 3.31Å; W249-Q251 PolarHBondContact O-N 3.47Å; Q251-R253 VanDerWaalsContact C-N 3.32Å; Q251-R253 PolarHBondContact O-N 3.2Å; Q251-R254 PolarHBondContact O-N 3.39Å; Q251-M255 WeakPolarHBondContact O-CG 3.23Å; Q251-M255 PolarHBondContact O-N 2.99Å
252N94.7Very high90.2Very high97 Ų9779 Ų7952%0.51937%0.369SS..Hα-helixtrans-63.6-37.8178.4-72.8-25.7000112I248 W249 M255 K256I248-N252 WeakPolarHBondContact CG2-ND2 3.12Å; I248-N252 WeakPolarHBondContact O-CB 3.37Å; I248-N252 VanDerWaalsContact O-CG 3.28Å; I248-N252 PolarHBondContact O-N 2.98Å; I248-N252 PolarHBondContact O-ND2 3.12Å; W249-N252 PolarHBondContact O-N 3.43Å; N252-M255 WeakPolarHBondContact O-CB 3.5Å; N252-M255 PolarHBondContact O-N 3.46Å; N252-K256 PolarHBondContact O-N 3.09Å
253R95.7Very high88.7Confident49 Ų4978 Ų7819%0.18536%0.361CS..Hα-helixtrans-65-43.3178.1-177.263.6-173.578.51.2111.9E218 F221 W249 Q251 K256 Q257E218-R253 VanDerWaalsContact CD-NE 3.33Å; E218-R253 IonicContact OE1-CZ 2.87Å; E218-R253 IonicContact OE1-NE 3.9Å; E218-R253 PolarHBondContact OE1-NE 2.78Å; E218-R253 IonicContact OE1-NH2 3.07Å; E218-R253 PolarHBondContact OE1-NH2 3.37Å; E218-R253 WeakPolarHBondContact OE2-CD 3.45Å; E218-R253 IonicContact OE2-CZ 2.66Å; E218-R253 IonicContact OE2-NE 3.84Å; E218-R253 PolarHBondContact OE2-NE 2.89Å; E218-R253 IonicContact OE2-NH2 3.66Å; F221-R253 HydrophobicContact CD1-CG 3.74Å; F221-R253 HydrophobicContact CD2-CB 4.29Å; F221-R253 HydrophobicContact CD2-CG 3.67Å; F221-R253 HydrophobicContact CE1-CG 3.77Å; F221-R253 HydrophobicContact CE2-CB 4.23Å; F221-R253 HydrophobicContact CE2-CG 3.71Å; F221-R253 HydrophobicContact CG-CG 3.69Å; F221-R253 HydrophobicContact CZ-CG 3.76Å; W249-R253 HydrophobicContact CD2-CB 4.49Å; W249-R253 HydrophobicContact CE3-CB 4.02Å; W249-R253 HydrophobicContact CH2-CB 4.04Å; W249-R253 HydrophobicContact CH2-CG 3.7Å; W249-R253 HydrophobicContact CZ2-CG 4.42Å; W249-R253 HydrophobicContact CZ3-CB 3.77Å; W249-R253 HydrophobicContact CZ3-CG 3.77Å; W249-R253 VanDerWaalsContact O-CB 3.27Å; W249-R253 WeakPolarHBondContact O-CB 3.14Å; W249-R253 PolarHBondContact O-N 2.85Å; Q251-R253 VanDerWaalsContact C-N 3.32Å; Q251-R253 PolarHBondContact O-N 3.2Å; R253-K256 PolarHBondContact O-N 3.17Å; R253-Q257 PolarHBondContact O-N 3.47Å
254R94.9Very high86.9Confident73 Ų7381.7 Ų81.728%0.27538%0.376SS..Hα-helixtrans-61.7-42.4171.4-73.8-176.7-72.5172.1-2.8111.7F221 R225 F250 Q251 K256 Q257 K258F221-R254 HydrophobicContact CE2-CG 3.73Å; F221-R254 HydrophobicContact CZ-CG 4.17Å; R225-R254 WeakPolarHBondContact O-CD 3.38Å; F250-R254 WeakPolarHBondContact O-CG 3.26Å; F250-R254 PolarHBondContact O-N 2.9Å; F250-R254 PolarHBondContact O-NE 3.26Å; Q251-R254 PolarHBondContact O-N 3.39Å; R254-K256 VanDerWaalsContact C-N 3.31Å; R254-K256 PolarHBondContact O-N 3.21Å; R254-Q257 PolarHBondContact O-N 3.19Å; R254-K258 PolarHBondContact O-N 3.05Å
255M89.2Confident85.1Confident103 Ų10381.4 Ų81.451%0.50738%0.383SS..Hα-helixtrans-61.8-39.3175.2-70.4-57.7-6600112.2Q251 N252 K259Q251-M255 WeakPolarHBondContact O-CG 3.23Å; Q251-M255 PolarHBondContact O-N 2.99Å; N252-M255 WeakPolarHBondContact O-CB 3.5Å; N252-M255 PolarHBondContact O-N 3.46Å; M255-K259 PolarHBondContact O-N 3.34Å; M255-K259 VanDerWaalsContact O-N 3.07Å
256K90.1Very high82.9Confident153 Ų15385 Ų8567%0.66540%0.398SS*.Hα-helixtrans-66.6-43.7175.2-166.7-178.9179.8-168.10111.9N252 R253 R254 K259 H260N252-K256 PolarHBondContact O-N 3.09Å; R253-K256 PolarHBondContact O-N 3.17Å; R254-K256 VanDerWaalsContact C-N 3.31Å; R254-K256 PolarHBondContact O-N 3.21Å; K256-K259 PolarHBondContact O-N 3Å; K256-H260 PolarHBondContact O-N 3.29Å
257Q90.9Very high81Confident61 Ų6187.6 Ų87.629%0.28542%0.42SS..Hα-helixtrans-56.2-52.5174.5-175.1177.9-65.200110.7F221 R253 R254 K259 H260 L261F221-Q257 VanDerWaalsContact CE1-OE1 3.3Å; R253-Q257 PolarHBondContact O-N 3.47Å; R254-Q257 PolarHBondContact O-N 3.19Å; Q257-K259 VanDerWaalsContact C-N 3.28Å; Q257-K259 PolarHBondContact O-N 3.36Å; Q257-H260 WeakPolarHBondContact O-CB 3.27Å; Q257-H260 PolarHBondContact O-N 3.2Å; Q257-H260 VanDerWaalsContact O-N 3.14Å; Q257-L261 HydrophobicContact CG-CD1 4.17Å; Q257-L261 WeakPolarHBondContact O-CD1 3.43Å; Q257-L261 PolarHBondContact O-N 3.25Å
258K88.3Confident79Confident101 Ų10192.1 Ų92.144%0.43945%0.446SS..Hα-helixtrans-59.1-37179.4-176.4173.165-176.70113R254 H260 L261 K262R254-K258 PolarHBondContact O-N 3.05Å; K258-H260 VanDerWaalsContact C-N 3.35Å; K258-L261 PolarHBondContact O-N 3.14Å; K258-K262 PolarHBondContact O-N 3.11Å
259K82.9Confident76.9Confident128 Ų12896.1 Ų96.156%0.55747%0.465SS*.Hα-helixtrans-63.4-40.6178.2-172-176.5168.8-160.20111.7M255 K256 Q257 L261 K262 E263M255-K259 PolarHBondContact O-N 3.34Å; M255-K259 VanDerWaalsContact O-N 3.07Å; K256-K259 PolarHBondContact O-N 3Å; Q257-K259 VanDerWaalsContact C-N 3.28Å; Q257-K259 PolarHBondContact O-N 3.36Å; K259-L261 PolarHBondContact O-N 2.8Å; K259-K262 PolarHBondContact O-N 2.94Å; K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 IonicContact NZ-OE1 2.8Å; K259-E263 PolarHBondContact O-N 2.96Å; K259-E263 VanDerWaalsContact O-N 3.14Å
260H78.1Confident74.8Confident100 Ų10098.4 Ų98.446%0.46349%0.485SS..Hα-helixtrans-63.7-39.3179.7-160.755.7000112.6K256 Q257 K258 K262 E263 K264K256-H260 PolarHBondContact O-N 3.29Å; Q257-H260 WeakPolarHBondContact O-CB 3.27Å; Q257-H260 PolarHBondContact O-N 3.2Å; Q257-H260 VanDerWaalsContact O-N 3.14Å; K258-H260 VanDerWaalsContact C-N 3.35Å; H260-K262 VanDerWaalsContact C-N 3.31Å; H260-K262 PolarHBondContact O-N 3.31Å; H260-E263 PolarHBondContact O-N 3.19Å; H260-K264 WeakPolarHBondContact NE2-CE 3.45Å; H260-K264 PolarHBondContact O-N 2.67Å
261L73.3Confident72.5Confident116 Ų116103.1 Ų103.161%0.60752%0.519SS*.Hα-helixtrans-62.2-39.7176.5-81.578.1000111.6Q257 K258 K259 K264 G265Q257-L261 HydrophobicContact CG-CD1 4.17Å; Q257-L261 WeakPolarHBondContact O-CD1 3.43Å; Q257-L261 PolarHBondContact O-N 3.25Å; K258-L261 PolarHBondContact O-N 3.14Å; K259-L261 PolarHBondContact O-N 2.8Å; L261-K264 PolarHBondContact O-N 3.29Å; L261-G265 PolarHBondContact O-N 3.07Å
262K68.8Low70Confident177 Ų177102.6 Ų102.677%0.7754%0.536SS*.Hα-helixtrans-69.9-32.1178.5-167.4167.6-177.5168.80112.8K258 K259 H260 F266K258-K262 PolarHBondContact O-N 3.11Å; K259-K262 PolarHBondContact O-N 2.94Å; H260-K262 VanDerWaalsContact C-N 3.31Å; H260-K262 PolarHBondContact O-N 3.31Å; K262-F266 WeakPolarHBondContact O-CB 3.38Å; K262-F266 PolarHBondContact O-N 3.07Å
263E62.6Low67.3Low87 Ų87100.9 Ų100.941%0.40754%0.54SS..Hα-helixtrans-75.6-36.7176-71.1177.2168.200111.7K259 H260 F266 A267K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 IonicContact NZ-OE1 2.8Å; K259-E263 PolarHBondContact O-N 2.96Å; K259-E263 VanDerWaalsContact O-N 3.14Å; H260-E263 PolarHBondContact O-N 3.19Å; E263-F266 WeakPolarHBondContact O-CB 3.37Å; E263-F266 PolarHBondContact O-N 3.19Å; E263-A267 PolarHBondContact O-N 3.4Å
264K58.5Low64.4Low133 Ų133103.5 Ų103.558%0.57857%0.567SS**Hα-helixtrans-69.5-42.3175.5-74.2-165.7179.4-171.80113.8H260 L261 F266 A267 L268H260-K264 WeakPolarHBondContact NE2-CE 3.45Å; H260-K264 PolarHBondContact O-N 2.67Å; L261-K264 PolarHBondContact O-N 3.29Å; K264-F266 PolarHBondContact O-N 3.41Å; K264-A267 PolarHBondContact O-N 3.13Å; K264-A267 VanDerWaalsContact O-N 3.15Å; K264-L268 PolarHBondContact O-N 2.91Å; K264-L268 VanDerWaalsContact O-N 3.12Å
265G53.6Low61.9Low44 Ų44108.1 Ų108.145%0.45460%0.596SS.*Hα-helixtrans-61-30.5173.200000112.1L261 M269L261-G265 PolarHBondContact O-N 3.07Å; G265-M269 WeakPolarHBondContact O-CG 3.45Å
266F49.1Very low59.7Low114 Ų114109.4 Ų109.450%0.561%0.609SS.*Hα-helixtrans-75-38174.5-165.1-94.7000112.6K262 E263 K264 M269 S270K262-F266 WeakPolarHBondContact O-CB 3.38Å; K262-F266 PolarHBondContact O-N 3.07Å; E263-F266 WeakPolarHBondContact O-CB 3.37Å; E263-F266 PolarHBondContact O-N 3.19Å; K264-F266 PolarHBondContact O-N 3.41Å; F266-M269 PolarHBondContact O-N 3.16Å; F266-S270 PolarHBondContact O-N 2.72Å
267A54.3Low57.4Low55 Ų55110.8 Ų110.846%0.45562%0.616SS.*Hα-helixtrans-68-37.2179.700000113.5E263 K264 M269 S270 S271E263-A267 PolarHBondContact O-N 3.4Å; K264-A267 PolarHBondContact O-N 3.13Å; K264-A267 VanDerWaalsContact O-N 3.15Å; A267-M269 VanDerWaalsContact C-N 3.32Å; A267-M269 PolarHBondContact O-N 3.19Å; A267-S270 PolarHBondContact O-N 2.96Å; A267-S271 PolarHBondContact O-OG 3.28Å
268L53.8Low55.1Low150 Ų150113.7 Ų113.779%0.78564%0.643SS**Hα-helixtrans-68.1-33.6179.1-164.572000112K264K264-L268 PolarHBondContact O-N 2.91Å; K264-L268 VanDerWaalsContact O-N 3.12Å
269M48.4Very low52.8Low160 Ų160111.1 Ų111.179%0.78865%0.645SS**Hα-helixtrans-74.7-29.2176-64.4-178.473.600112.6G265 F266 A267 S271G265-M269 WeakPolarHBondContact O-CG 3.45Å; F266-M269 PolarHBondContact O-N 3.16Å; A267-M269 VanDerWaalsContact C-N 3.32Å; A267-M269 PolarHBondContact O-N 3.19Å; M269-S271 VanDerWaalsContact C-N 3.31Å; M269-S271 PolarHBondContact O-N 2.98Å
270S52.3Low50.7Low80 Ų80116.5 Ų116.556%0.55966%0.662SS**Hα-helixtrans-76.6-11.5-179.3-116.10000114.8F266 A267F266-S270 PolarHBondContact O-N 2.72Å; A267-S270 PolarHBondContact O-N 2.96Å
271S49.7Very low49.1Very low103 Ų103117.2 Ų117.272%0.7268%0.676SS**THydrogen-bonded Turntrans-109.76.3-174.5-52.90000114.3A267 M269 G273A267-S271 PolarHBondContact O-OG 3.28Å; M269-S271 VanDerWaalsContact C-N 3.31Å; M269-S271 PolarHBondContact O-N 2.98Å; S271-G273 PolarHBondContact O-N 3.03Å
272G41.1Very low47.7Very low71 Ų71119.4 Ų119.473%0.73269%0.688SS**  trans-77.366.1175.300000112.5S274G272-S274 PolarHBondContact O-N 2.76Å
273G37.8Very low46.5Very low60 Ų60115.2 Ų115.262%0.61969%0.686SS**  trans-70.912017000000111.1S271 L275S271-G273 PolarHBondContact O-N 3.03Å; G273-L275 PolarHBondContact O-N 2.95Å
274S34.8Very low45.8Very low105 Ų105118.9 Ų118.973%0.73471%0.707SS**  trans12.190.2152.5-169.90000116.8G272G272-S274 PolarHBondContact O-N 2.76Å
275L43.3Very low45.1Very low170 Ų170118.4 Ų118.489%0.8972%0.715SS**  trans-110.399.4154.1-70.2177.8000107.9G273 F277G273-L275 PolarHBondContact O-N 2.95Å; L275-F277 PolarHBondContact O-N 3.02Å
276T43Very low44.8Very low129 Ų129122.9 Ų122.979%0.79173%0.734SS**  trans-72.6103.8165.349.10000107.8
277F41.2Very low44.9Very low182 Ų182123.2 Ų123.280%0.79875%0.747SS**  trans-11295.9166.1-174.6-100000108.3L275L275-F277 PolarHBondContact O-N 3.02Å
278S42.6Very low44.4Very low122 Ų122125.6 Ų125.685%0.85376%0.76SS**  trans-92.7104.5166.748.20000108
279G39.7Very low43.8Very low47 Ų47124.2 Ų124.249%0.48576%0.758SS.*  trans-173.9117.1177.800000110.1
280R38.2Very low43.6Very low241 Ų241122.6 Ų122.691%0.90976%0.758SS**  trans-57.7159.6-172.9-84.2174.9163.9-164.9-4114.6
281P44.5Very low43.1Very low116 Ų116126.4 Ų126.475%0.75377%0.767SS**  trans-91.7132.9-174.535.6-28.6000111.6
282D45Very low42.7Very low161 Ų161130.1 Ų130.186%0.86178%0.777SS**  trans-142.1130.2160.7-83-46.2000109
283A43.5Very low42.7Very low90 Ų90135.8 Ų135.874%0.74478%0.782SS**  trans35.3123.6158.500000119.3
284I46.9Very low43Very low163 Ų163138.7 Ų138.784%0.83679%0.793SS**  177.7111.4120.7-83.4148.3000108.1
285T44Very low43.5Very low123 Ų123139 Ų13976%0.75580%0.795SS**  trans32.2113.7138.1-500000119.3
286V46.7Very low43.7Very low138 Ų138136.3 Ų136.384%0.83679%0.788SS**PPolyproline II helixtrans-58.3129.4157.1-126.50000110.6
287P51.9Low43.7Very low121 Ų121138.4 Ų138.479%0.78679%0.793SS**PPolyproline II helixtrans-92.7120.2154.528.5-18.7000109.7
288S43.4Very low44Very low105 Ų105137.8 Ų137.873%0.73480%0.795SS**PPolyproline II helixtrans-66133164.6171.10000110.7
289V42.6Very low44.1Very low122 Ų122138.9 Ų138.974%0.73979%0.79SS**SBendtrans24108.1144.5-157.10000117.8
290T44.2Very low44.2Very low126 Ų126145.4 Ų145.477%0.77381%0.808SS**  trans163.9166.9131.240.80000109.3
291E41.5Very low44.6Very low160 Ų160142.9 Ų142.975%0.74881%0.806SS**  trans81.783.6173.9-58.5-65.1138.700117.7
292L40.5Very low44.9Very low180 Ų180147.2 Ų147.294%0.94281%0.813SS**  trans-156.267.2134.1-82.2-167.3000109.6
293F40.7Very low45.1Very low191 Ų191143.6 Ų143.684%0.83881%0.805SS**  trans-109.7104152-110.7-86.5000106.6
294S45.9Very low45.2Very low120 Ų120148.2 Ų148.284%0.83981%0.812SS**  trans-154.687.4159.9-90.70000109.5
295S45.1Very low45.5Very low112 Ų112149.2 Ų149.278%0.78381%0.813SS**  trans1.3163135.1-78.20000121.6
296P46.4Very low45.6Very low114 Ų114151.7 Ų151.774%0.7482%0.818SS**  trans-119.2159.9-138.340.8-29.1000115.1
297L44Very low45.9Very low172 Ų172151 Ų15190%0.90182%0.815SS**  trans177126.5150.7-113.6167.7000112.9
298M46.2Very low46Very low169 Ų169151 Ų15183%0.83381%0.813SS**  trans160.4107.5149.7-107-147.211500108.3
299L46.6Very low46Very low146 Ų146155 Ų15576%0.76482%0.819SS**  -166.1115.668.5-112.168.6000108.6
300Q41.4Very low46.3Very low184 Ų184153.8 Ų153.886%0.8682%0.822SS**  trans-119.8121.2146.9-89.4-165.55.600105.9
301H45.9Very low46.3Very low188 Ų188153.8 Ų153.887%0.8783%0.827SS**  trans-179.7146.5140.2-113.6-121.5000110.8
302K49.9Very low46.4Very low207 Ų207149.9 Ų149.990%0.983%0.83SS**  trans90124166.3-141.7169.4-167.8173.40115.1
303A50.3Low46.4Very low84 Ų84144.5 Ų144.569%0.69482%0.818SS**  cis-166.9149.1-1500000105.4
304Q45.2Very low46.6Very low188 Ų188143.1 Ų143.188%0.87982%0.82SS**  trans-70.2139.1164-72.8163.4-20.500110.4
305Q54.3Low47Very low184 Ų184144.5 Ų144.586%0.8682%0.816SS**  trans179.698.5153-98.4164.167.100105.8
306M45.4Very low47.1Very low174 Ų174146.3 Ų146.386%0.85782%0.817SS**  63.911492.3-72.2-163.5-17800115.2
307T52.6Low46.7Very low125 Ų125150.8 Ų150.877%0.76783%0.825SS**  trans81.1141.9142.763.40000122
308T54.7Low46.6Very low121 Ų121146.6 Ų146.674%0.74282%0.815SS**  trans80103.3156.265.60000121
309E44Very low46.2Very low188 Ų188148.1 Ų148.188%0.87982%0.817SS**  42.6117120.7-50.2-164.2-165.300119.4
310A47.1Very low45.8Very low96 Ų96153.1 Ų153.179%0.79384%0.843SS**  174.8123.9117.400000110.9
311S45.7Very low46Very low126 Ų126151.6 Ų151.688%0.88184%0.842SS**  48.7117.8128.9-158.40000119.9
312G42.3Very low46Very low79 Ų79149.6 Ų149.681%0.81484%0.841SS**  112.7130.8129.700000116.2
313G41.1Very low45.8Very low67 Ų67146.4 Ų146.469%0.69184%0.838SS**  trans125.259.1151.700000116.4I315G313-I315 PolarHBondContact O-N 3.45Å
314N44.3Very low45.5Very low162 Ų162150.1 Ų150.187%0.86685%0.846SS**  trans-55.3116.5147.7-89.9-40.5000108.9
315I55.2Low45.5Very low148 Ų148147.8 Ų147.876%0.75984%0.844SS**  trans-120.796.8163.238.4173.2000109.9G313 F317G313-I315 PolarHBondContact O-N 3.45Å; I315-F317 PolarHBondContact O-N 3.49Å
316N46.3Very low44.9Very low151 Ų151145.3 Ų145.381%0.80784%0.843SS**  trans-59.3114.9159.1-83.4-70.9000109A318N316-A318 VanDerWaalsContact C-N 3.28Å; N316-A318 PolarHBondContact O-N 3.1Å; N316-A318 VanDerWaalsContact O-N 3.08Å
317F39.3Very low44.9Very low208 Ų208143.3 Ų143.391%0.91284%0.842SS**  trans-80.884.9162.4-113-88.2000108.8I315I315-F317 PolarHBondContact O-N 3.49Å
318A40.5Very low44.3Very low83 Ų83144.7 Ų144.769%0.68685%0.848SS**  trans-75.3138.3164.100000110.1N316N316-A318 VanDerWaalsContact C-N 3.28Å; N316-A318 PolarHBondContact O-N 3.1Å; N316-A318 VanDerWaalsContact O-N 3.08Å
319K38Very low43.4Very low202 Ų202146.7 Ų146.788%0.87886%0.856SS**  trans-17.4128.8162.3-83.2163.9166.8170.60116.4
320L37.7Very low43.4Very low250 Ų250142.9 Ų142.9100%1.30985%0.854SS**  -111.30127.8-79.4162.2000107.7

Retrieved 320 of 320 residues in 106.1 ms (Link to these results)

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