A0A3Q0KUQ0_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KUQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M49.8Very low44.5Very low218 Ų218121.9 Ų121.9100%1.07462%0.616SS**  0-45.70-144.4168.379.900113I3 F4M1-I3 PolarHBondContact O-N 3.01Å; M1-F4 PolarHBondContact O-N 2.84Å
2L42.1Very low44.5Very low131 Ų131123.6 Ų123.669%0.68662%0.623SS**Hα-helixtrans-61.7-40.3-175.3-132.188.6000115.4F4 L5 I6L2-F4 VanDerWaalsContact C-N 3.28Å; L2-F4 PolarHBondContact O-N 2.85Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.01Å; L2-L5 VanDerWaalsContact O-N 3.17Å; L2-I6 PolarHBondContact O-N 3.39Å
3I44.5Very low44.1Very low84 Ų84124.5 Ų124.543%0.43162%0.62SS.*Hα-helixtrans-63.4-36.2-178.2-63.3171.9000111.4M1 L5 I6 I7M1-I3 PolarHBondContact O-N 3.01Å; I3-L5 VanDerWaalsContact C-N 3.28Å; I3-L5 PolarHBondContact O-N 3.21Å; I3-I6 PolarHBondContact O-N 3.16Å; I3-I7 HydrophobicContact CG2-CD1 4.36Å; I3-I7 PolarHBondContact O-N 2.91Å
4F46.4Very low43.6Very low157 Ų157125.1 Ų125.169%0.68963%0.625SS**Hα-helixtrans-64.8-36.3178.9-144.6-91.4000111.2M1 L2 I6 I7 H8M1-F4 PolarHBondContact O-N 2.84Å; L2-F4 VanDerWaalsContact C-N 3.28Å; L2-F4 PolarHBondContact O-N 2.85Å; F4-I6 PolarHBondContact O-N 2.97Å; F4-I7 PolarHBondContact O-N 3.3Å; F4-H8 WeakPolarHBondContact O-CB 3.34Å; F4-H8 PolarHBondContact O-N 3.29Å
5L41.5Very low43.3Very low123 Ų123125.3 Ų125.364%0.64463%0.629SS**Hα-helixtrans-66.7-37.4178.9-137.295000112.3L2 I3 I7 H8 Y9L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.01Å; L2-L5 VanDerWaalsContact O-N 3.17Å; I3-L5 VanDerWaalsContact C-N 3.28Å; I3-L5 PolarHBondContact O-N 3.21Å; L5-I7 VanDerWaalsContact C-N 3.35Å; L5-H8 PolarHBondContact O-N 3.4Å; L5-Y9 WeakPolarHBondContact O-CB 3.47Å; L5-Y9 PolarHBondContact O-N 3.14Å
6I43.9Very low43.1Very low105 Ų105129.8 Ų129.854%0.53864%0.644SS.*Hα-helixtrans-65.5-42.2179.7-63.4171.6000110.3L2 I3 F4L2-I6 PolarHBondContact O-N 3.39Å; I3-I6 PolarHBondContact O-N 3.16Å; F4-I6 PolarHBondContact O-N 2.97Å
7I43Very low42.7Very low115 Ų115133.6 Ų133.659%0.5966%0.656SS**Hα-helixtrans-70.1-39.8177.8-58.4172.9000110.3I3 F4 L5 P11I3-I7 HydrophobicContact CG2-CD1 4.36Å; I3-I7 PolarHBondContact O-N 2.91Å; F4-I7 PolarHBondContact O-N 3.3Å; L5-I7 VanDerWaalsContact C-N 3.35Å; I7-P11 WeakPolarHBondContact O-CD 3.28Å
8H45.9Very low42.3Very low105 Ų105135.7 Ų135.749%0.48666%0.664SS.*Hα-helixtrans-77.6-27.1-176.4-145.1-88.1000113.6F4 L5F4-H8 WeakPolarHBondContact O-CB 3.34Å; F4-H8 PolarHBondContact O-N 3.29Å; L5-H8 PolarHBondContact O-N 3.4Å
9Y42.1Very low41.7Very low143 Ų143131.3 Ų131.356%0.56166%0.657SS**Hα-helixtrans-77.5-26.3178.6-161.6-100.1000112.9L5 K13L5-Y9 WeakPolarHBondContact O-CB 3.47Å; L5-Y9 PolarHBondContact O-N 3.14Å; Y9-K13 HydrophobicContact CE1-CD 4.34Å; Y9-K13 HydrophobicContact CE2-CD 4.4Å; Y9-K13 PolarHBondContact OH-NZ 2.9Å
10S48.9Very low41.3Very low74 Ų74132.5 Ų132.552%0.51767%0.666SS.*Hα-helixtrans-72.8-40.7-176.2-1370000115.7
11P41.4Very low41Very low86 Ų86133.9 Ų133.956%0.55867%0.673SS**Hα-helixtrans-78.2-33.1-178.225.8-31.3000113.2I7 K13I7-P11 WeakPolarHBondContact O-CD 3.28Å; P11-K13 PolarHBondContact O-N 2.89Å
12M44.9Very low40.4Very low142 Ų142132.2 Ų132.270%0.767%0.668SS**Hα-helixtrans-75.1-18.5-170.5-75.7-170.915200115
13K39.7Very low40.3Very low136 Ų136134.3 Ų134.359%0.59167%0.674SS**THydrogen-bonded Turntrans-108.3-1.4-179.3-76.4-173.2179.4179.90115.7Y9 P11Y9-K13 HydrophobicContact CE1-CD 4.34Å; Y9-K13 HydrophobicContact CE2-CD 4.4Å; Y9-K13 PolarHBondContact OH-NZ 2.9Å; P11-K13 PolarHBondContact O-N 2.89Å
14L36.9Very low40Very low132 Ų132138.3 Ų138.369%0.69169%0.689SS**G310 helixtrans-80.3-18.2171.5-93.4163.2000113.4K16L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 2.85Å
15N38.7Very low39.8Very low128 Ų128136.7 Ų136.768%0.68469%0.694SS**G310 helixtrans-79.21.5-175.7-157.141.8000115.2
16K40.1Very low39.9Very low197 Ų197135.3 Ų135.386%0.85769%0.687SS**G310 helixtrans-105.75.6177.2-90.6-170.7176.9-175.70115.1L14 E18L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 2.85Å; K16-E18 PolarHBondContact O-N 3.4Å
17F37.1Very low40.2Very low196 Ų196134.1 Ų134.186%0.8669%0.688SS**  trans-93.746.9161.8-91.5-86.4000110.3
18E34.2Very low40.1Very low171 Ų171133.8 Ų133.880%0.79969%0.687SS**  trans-88.8110.4164.7-171.7173.2-169.400107.2K16K16-E18 PolarHBondContact O-N 3.4Å
19G31.9Very low40.1Very low51 Ų51134.1 Ų134.153%0.52669%0.692SS.*SBendtrans101.688.3-179.800000112.6
20N32.7Very low40.4Very low155 Ų155131.9 Ų131.983%0.82969%0.689SS**SBend152.694.9128.5-67.1-23.1000109.4
21I36.2Very low40.5Very low162 Ų162132.8 Ų132.883%0.83169%0.688SS**  trans67.399.9152.9-45.2-178.8000115.2E23I21-E23 VanDerWaalsContact C-N 3.25Å; I21-E23 PolarHBondContact O-N 3.44Å
22L36.7Very low40.6Very low184 Ų184131.7 Ų131.796%0.96368%0.677SS**  trans-56.767.6171.6-164.1110.3000113.1
23E39.1Very low40.8Very low175 Ų175128.6 Ų128.682%0.81867%0.666SS**  trans-10494.9162.8-159.6168.9-163.200108I21I21-E23 VanDerWaalsContact C-N 3.25Å; I21-E23 PolarHBondContact O-N 3.44Å
24K39.2Very low41.1Very low168 Ų168124.7 Ų124.773%0.7365%0.651SS**  trans20.698160.4-169.1174-176.5-1800113.7N26K24-N26 PolarHBondContact O-N 2.88Å
25P42.4Very low41.5Very low123 Ų123127.2 Ų127.280%0.79965%0.651SS**  trans-60.2110.1173.325.1-31.5000107.4S27P25-S27 PolarHBondContact O-N 3.45Å; P25-S27 VanDerWaalsContact O-N 3.14Å
26N44Very low41.9Very low93 Ų93128.2 Ų128.250%0.49765%0.645SS.*  trans-54.9124.7179.5-72.8-36.2000107.4K24 D28 I29K24-N26 PolarHBondContact O-N 2.88Å; N26-D28 HydrophobicContact CB-CB 4.44Å; N26-D28 PolarHBondContact O-N 3.48Å; N26-I29 PolarHBondContact O-N 3.22Å
27S49.9Very low42.1Very low80 Ų80124.7 Ų124.756%0.55963%0.632SS**Hα-helixtrans-45.1-27.3174.940.10000112.6P25 I29 L30 L31P25-S27 PolarHBondContact O-N 3.45Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-I29 VanDerWaalsContact C-N 3.31Å; S27-I29 PolarHBondContact O-N 2.94Å; S27-L30 PolarHBondContact O-N 2.86Å; S27-L31 WeakPolarHBondContact O-CB 3.29Å; S27-L31 WeakPolarHBondContact O-CG 3.38Å; S27-L31 PolarHBondContact O-N 2.73Å
28D40.3Very low42.3Very low108 Ų108116.8 Ų116.858%0.57860%0.599SS**Hα-helixtrans-60.6-33.6177.7-55-23.7000113.4N26 N32N26-D28 HydrophobicContact CB-CB 4.44Å; N26-D28 PolarHBondContact O-N 3.48Å; D28-N32 WeakPolarHBondContact O-CB 3.38Å; D28-N32 PolarHBondContact O-N 3.48Å
29I46.3Very low42.7Very low113 Ų113115.1 Ų115.158%0.57959%0.591SS**Hα-helixtrans-73.5-44.7-177.4-60.1175.8000110.6N26 S27 N32 V33N26-I29 PolarHBondContact O-N 3.22Å; S27-I29 VanDerWaalsContact C-N 3.31Å; S27-I29 PolarHBondContact O-N 2.94Å; I29-N32 PolarHBondContact O-N 3.43Å; I29-V33 WeakPolarHBondContact O-CG2 3.27Å; I29-V33 PolarHBondContact O-N 3.47Å
30L48.8Very low43.2Very low96 Ų96121 Ų12150%0.50360%0.602SS.*Hα-helixtrans-65.6-44.7177.1-173.271.1000110.4S27 N32 V33 I34S27-L30 PolarHBondContact O-N 2.86Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.34Å; L30-V33 PolarHBondContact O-N 2.87Å; L30-I34 HydrophobicContact CG-CD1 4.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.29Å; L30-I34 PolarHBondContact O-N 3.05Å
31L49.6Very low43.8Very low93 Ų93117.3 Ų117.349%0.48758%0.582SS.*Hα-helixtrans-61.8-35.5174.1-73.2173.2000111.7S27 I34 R35S27-L31 WeakPolarHBondContact O-CB 3.29Å; S27-L31 WeakPolarHBondContact O-CG 3.38Å; S27-L31 PolarHBondContact O-N 2.73Å; L31-I34 PolarHBondContact O-N 3.09Å; L31-R35 WeakPolarHBondContact O-CA 3.09Å; L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 PolarHBondContact O-N 3.49Å
32N45.2Very low44.1Very low63 Ų63113.7 Ų113.734%0.33757%0.567SS.*Hα-helixtrans-70.9-33.9177.4-167.134.9000112.5D28 I29 L30 R35 R36D28-N32 WeakPolarHBondContact O-CB 3.38Å; D28-N32 PolarHBondContact O-N 3.48Å; I29-N32 PolarHBondContact O-N 3.43Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.34Å; N32-R35 PolarHBondContact O-N 3Å; N32-R36 VanDerWaalsContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 WeakPolarHBondContact O-CG 3.45Å; N32-R36 PolarHBondContact O-N 3.24Å
33V48.2Very low44.5Very low77 Ų77108.7 Ų108.747%0.46755%0.548SS..Hα-helixtrans-67-44.8173.1173.80000110.5I29 L30 H37I29-V33 WeakPolarHBondContact O-CG2 3.27Å; I29-V33 PolarHBondContact O-N 3.47Å; L30-V33 PolarHBondContact O-N 2.87Å; V33-H37 PolarHBondContact O-CD2 2.81Å; V33-H37 PolarHBondContact O-N 3.37Å
34I46.3Very low44.8Very low54 Ų54106.9 Ų106.928%0.27754%0.543SS..Hα-helixtrans-64-43.8175-63.6167.9000110.1L30 L31 H37 N38L30-I34 HydrophobicContact CG-CD1 4.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.29Å; L30-I34 PolarHBondContact O-N 3.05Å; L31-I34 PolarHBondContact O-N 3.09Å; I34-H37 CarbonylContact O-C 3.58Å; I34-H37 PolarHBondContact O-N 3.25Å; I34-N38 VanDerWaalsContact O-CB 3.29Å; I34-N38 WeakPolarHBondContact O-CB 3.49Å; I34-N38 VanDerWaalsContact O-CG 3.27Å; I34-N38 PolarHBondContact O-N 3.32Å; I34-N38 PolarHBondContact O-OD1 3.05Å
35R44.1Very low45.1Very low184 Ų184103.7 Ų103.769%0.69453%0.533SS*.Hα-helixtrans-65.7-41.7179.9-168.3-178-150162.96.8112.2L31 N32 H37 N38 E39L31-R35 WeakPolarHBondContact O-CA 3.09Å; L31-R35 WeakPolarHBondContact O-CB 3.34Å; L31-R35 PolarHBondContact O-N 3.49Å; N32-R35 PolarHBondContact O-N 3Å; R35-H37 VanDerWaalsContact C-N 3.35Å; R35-N38 CarbonylContact O-C 3.55Å; R35-N38 PolarHBondContact O-N 3.45Å; R35-E39 WeakPolarHBondContact O-CB 3.39Å; R35-E39 PolarHBondContact O-N 3.48Å
36R47.4Very low45.4Very low150 Ų150102.4 Ų102.457%0.56653%0.525SS*.Hα-helixtrans-64.2-41.8174.4-80-173.4179.5141.2-0.3111.2N32 N38 E39 F40N32-R36 VanDerWaalsContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 WeakPolarHBondContact O-CG 3.45Å; N32-R36 PolarHBondContact O-N 3.24Å; R36-N38 VanDerWaalsContact C-N 3.33Å; R36-E39 PolarHBondContact O-N 2.88Å; R36-F40 WeakPolarHBondContact O-CD2 3.22Å; R36-F40 PolarHBondContact O-N 2.87Å
37H45.4Very low45.7Very low122 Ų122102.9 Ų102.957%0.56553%0.527SS*.Hα-helixtrans-68.1-33.4174.1-88.8-66.4000112.8V33 I34 R35 F40 I41V33-H37 PolarHBondContact O-CD2 2.81Å; V33-H37 PolarHBondContact O-N 3.37Å; I34-H37 CarbonylContact O-C 3.58Å; I34-H37 PolarHBondContact O-N 3.25Å; R35-H37 VanDerWaalsContact C-N 3.35Å; H37-F40 PolarHBondContact O-N 3.05Å; H37-I41 PolarHBondContact O-N 3.49Å
38N40.3Very low45.8Very low31 Ų31105.2 Ų105.217%0.16653%0.53CS..Hα-helixtrans-70.3-36.6173.5-79.10.6000111.6I34 R35 R36 F40 I41 T42 E174I34-N38 VanDerWaalsContact O-CB 3.29Å; I34-N38 WeakPolarHBondContact O-CB 3.49Å; I34-N38 VanDerWaalsContact O-CG 3.27Å; I34-N38 PolarHBondContact O-N 3.32Å; I34-N38 PolarHBondContact O-OD1 3.05Å; R35-N38 CarbonylContact O-C 3.55Å; R35-N38 PolarHBondContact O-N 3.45Å; R36-N38 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 3.05Å; N38-I41 CarbonylContact O-C 3.52Å; N38-I41 PolarHBondContact O-N 3.02Å; N38-T42 WeakPolarHBondContact O-CB 3.45Å; N38-T42 WeakPolarHBondContact O-CG2 3.25Å; N38-T42 PolarHBondContact O-N 3.22Å; N38-T42 PolarHBondContact O-OG1 2.83Å; N38-E174 VanDerWaalsContact ND2-CD 3.31Å; N38-E174 PolarHBondContact ND2-OE1 3.21Å
39E42Very low46.4Very low136 Ų136102.5 Ų102.564%0.63652%0.518SS*.Hα-helixtrans-60.6-30.5175.5-166.3170.5-16800111.2R35 R36 S43R35-E39 WeakPolarHBondContact O-CB 3.39Å; R35-E39 PolarHBondContact O-N 3.48Å; R36-E39 PolarHBondContact O-N 2.88Å; E39-S43 PolarHBondContact O-N 2.72Å
40F42.7Very low46.7Very low173 Ų173103.4 Ų103.476%0.75953%0.525SS*.Hα-helixtrans-74.7-16.3170.9-79.3-71.1000115R36 H37 N38R36-F40 WeakPolarHBondContact O-CD2 3.22Å; R36-F40 PolarHBondContact O-N 2.87Å; H37-F40 PolarHBondContact O-N 3.05Å; N38-F40 PolarHBondContact O-N 3.05Å
41I45.3Very low46.9Very low79 Ų79107 Ų10741%0.40554%0.536SS..Hα-helixtrans-107-28.6-179.9-60.6173.9000111.4H37 N38 I45H37-I41 PolarHBondContact O-N 3.49Å; N38-I41 CarbonylContact O-C 3.52Å; N38-I41 PolarHBondContact O-N 3.02Å; I41-I45 HydrophobicContact CG2-CD1 4.38Å
42T42.7Very low46.6Very low86 Ų86109.5 Ų109.553%0.52854%0.54SS..Hα-helixtrans-96.1-5.4-175.162.70000113.9N38 D44N38-T42 WeakPolarHBondContact O-CB 3.45Å; N38-T42 WeakPolarHBondContact O-CG2 3.25Å; N38-T42 PolarHBondContact O-N 3.22Å; N38-T42 PolarHBondContact O-OG1 2.83Å; T42-D44 PolarHBondContact O-N 3.26Å
43S44.4Very low46.7Very low79 Ų79112.5 Ų112.555%0.55256%0.56SS**SBendtrans-61.3-24.7-179.760.10000113.1E39E39-S43 PolarHBondContact O-N 2.72Å
44D45.4Very low46.8Very low136 Ų136114.2 Ų114.273%0.72757%0.573SS**SBendtrans-136.815.6-170.3-60.9-65000115.3T42 P46T42-D44 PolarHBondContact O-N 3.26Å; D44-P46 VanDerWaalsContact C-CD 3.43Å; D44-P46 WeakPolarHBondContact O-CD 3.08Å
45I46.6Very low46.6Very low101 Ų101116.9 Ų116.952%0.51859%0.588SS.*  trans-102.587.2172-50.4176.9000108.3I41 N47I41-I45 HydrophobicContact CG2-CD1 4.38Å; I45-N47 PolarHBondContact O-N 3.46Å
46P48.1Very low46.4Very low96 Ų96117.2 Ų117.262%0.62360%0.597SS**  trans-58.8128.6169.524-31000108.7D44 E48D44-P46 VanDerWaalsContact C-CD 3.43Å; D44-P46 WeakPolarHBondContact O-CD 3.08Å; P46-E48 PolarHBondContact O-N 3.03Å
47N50.2Low46.4Very low103 Ų103114.6 Ų114.655%0.55160%0.602SS**  trans-68.372.5170.5175.623.4000109.4I45 C49 D50I45-N47 PolarHBondContact O-N 3.46Å; N47-C49 VanDerWaalsContact C-N 3.25Å; N47-D50 PolarHBondContact ND2-OD2 2.82Å
48E52.1Low46.1Very low130 Ų130116.7 Ų116.761%0.60762%0.617SS**  trans-83.5-5.8176.9-158.5163.9-159.400111.9P46 D50 K51P46-E48 PolarHBondContact O-N 3.03Å; E48-D50 VanDerWaalsContact C-N 3.3Å; E48-D50 PolarHBondContact O-N 3.39Å; E48-K51 PolarHBondContact O-N 3.5Å
49C52.9Low46.5Very low50 Ų50120.6 Ų120.634%0.33865%0.647SS.*G310 helixtrans-64.2-30.4179.1-49.40000113.6N47 K51 Y52 C184N47-C49 VanDerWaalsContact C-N 3.25Å; C49-K51 PolarHBondContact O-N 3.48Å; C49-K51 VanDerWaalsContact O-N 3.11Å; C49-Y52 PolarHBondContact O-N 3.24Å; C49-C184 HydrophobicContact CB-CB 4.2Å; C49-C184 WeakPolarHBondContact CB-SG 3.48Å; C49-C184 WeakPolarHBondContact SG-CB 3.47Å; C49-C184 CovalentContact SG-SG 2.02Å; C49-C184 PolarHBondContact SG-SG 3.34Å
50D53.3Low46.4Very low133 Ų133119 Ų11971%0.71165%0.651SS**G310 helixtrans-67.7-11.7-175.2-76.9-14.7000113.4N47 E48N47-D50 PolarHBondContact ND2-OD2 2.82Å; E48-D50 VanDerWaalsContact C-N 3.3Å; E48-D50 PolarHBondContact O-N 3.39Å
51K53.2Low46.3Very low170 Ų170119.3 Ų119.374%0.73965%0.654SS**G310 helixtrans-96.2-9.3-177.4-67.1-178.9-176.5177.40114.5E48 C49 V53E48-K51 PolarHBondContact O-N 3.5Å; C49-K51 PolarHBondContact O-N 3.48Å; C49-K51 VanDerWaalsContact O-N 3.11Å; K51-V53 PolarHBondContact O-N 3.03Å; K51-V53 VanDerWaalsContact O-N 3.12Å
52Y44Very low46.2Very low146 Ų146121.7 Ų121.757%0.57367%0.667SS**  trans-86.488.7-179.2-129.8-97.8000110.4C49C49-Y52 PolarHBondContact O-N 3.24Å
53V46.6Very low46Very low126 Ų126122.7 Ų122.776%0.76468%0.676SS**  trans-60.8121.1161.8177.30000106.7K51 N55K51-V53 PolarHBondContact O-N 3.03Å; K51-V53 VanDerWaalsContact O-N 3.12Å; V53-N55 PolarHBondContact O-N 3.36Å
54P50.1Low45.5Very low113 Ų113125.1 Ų125.173%0.73468%0.683SS**  trans-65.9110.8-174.224.8-30.5000108.9
55N41.7Very low45.2Very low110 Ų110124.5 Ų124.559%0.58868%0.684SS**  trans-71.9140159.494.721.3000107.6V53 S57V53-N55 PolarHBondContact O-N 3.36Å; N55-S57 VanDerWaalsContact C-N 3.32Å; N55-S57 PolarHBondContact O-N 3.38Å; N55-S57 PolarHBondContact OD1-OG 3.34Å
56E40.3Very low44.7Very low192 Ų192126.3 Ų126.390%0.89769%0.693SS**  trans-61.891.1175.5-72175.2136.900110
57S46.4Very low44.3Very low94 Ų94125.8 Ų125.866%0.65769%0.688SS**  trans-125.4105.416538.80000108.4N55 S59N55-S57 VanDerWaalsContact C-N 3.32Å; N55-S57 PolarHBondContact O-N 3.38Å; N55-S57 PolarHBondContact OD1-OG 3.34Å; S57-S59 PolarHBondContact O-N 2.99Å; S57-S59 VanDerWaalsContact O-N 3.12Å
58N40Very low43.7Very low167 Ų167125.2 Ų125.289%0.89369%0.692SS**  trans-62.2105.2-178.6-63.5-60.4000110.8
59S48.3Very low43.1Very low112 Ų112126.3 Ų126.378%0.78370%0.702SS**  trans-15374.3156.6-175.80000108.6S57 H61S57-S59 PolarHBondContact O-N 2.99Å; S57-S59 VanDerWaalsContact O-N 3.12Å; S59-H61 PolarHBondContact O-N 2.95Å; S59-H61 VanDerWaalsContact O-N 3.07Å
60S40.4Very low42.3Very low104 Ų104129.1 Ų129.173%0.72772%0.717SS**  trans-78.681.7178.957.20000110.4
61H40.3Very low41.6Very low178 Ų178125.9 Ų125.982%0.82472%0.715SS**  trans-103.666.7150.5-104.5-63.6000108S59 C63S59-H61 PolarHBondContact O-N 2.95Å; S59-H61 VanDerWaalsContact O-N 3.07Å; H61-C63 PolarHBondContact O-N 2.84Å
62I43.4Very low41Very low129 Ų129128.6 Ų128.666%0.66272%0.722SS**  trans-75.898.7168-59.1172.9000105.3D64I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 VanDerWaalsContact CG2-OD1 3.28Å; I62-D64 WeakPolarHBondContact CG2-OD1 3.41Å; I62-D64 PolarHBondContact O-N 3.34Å; I62-D64 VanDerWaalsContact O-N 3.09Å
63C39Very low40.8Very low107 Ų107125.4 Ų125.472%0.72372%0.722SS**  trans-71.896.6161.8-69.60000106.4H61 V65H61-C63 PolarHBondContact O-N 2.84Å; C63-V65 VanDerWaalsContact C-N 3.32Å; C63-V65 PolarHBondContact O-N 3.42Å
64D34.3Very low40.5Very low131 Ų131124.3 Ų124.370%0.70172%0.717SS**  trans-60.898.4169.6-74.4-34.9000108.2I62 I66I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 VanDerWaalsContact CG2-OD1 3.28Å; I62-D64 WeakPolarHBondContact CG2-OD1 3.41Å; I62-D64 PolarHBondContact O-N 3.34Å; I62-D64 VanDerWaalsContact O-N 3.09Å; D64-I66 HydrophobicContact CB-CG1 4.3Å; D64-I66 PolarHBondContact O-N 2.96Å
65V38.6Very low39.9Very low123 Ų123126.4 Ų126.475%0.74572%0.722SS**  trans-70.488.2164177.60000105.6C63 V67C63-V65 VanDerWaalsContact C-N 3.32Å; C63-V65 PolarHBondContact O-N 3.42Å; V65-V67 VanDerWaalsContact C-N 3.32Å; V65-V67 HydrophobicContact CG1-CG2 4.01Å; V65-V67 PolarHBondContact O-N 3.05Å
66I35.1Very low39.6Very low139 Ų139128.7 Ų128.771%0.71373%0.729SS**  trans-6897.8171.8-57.3-178.6000106.8D64 S68D64-I66 HydrophobicContact CB-CG1 4.3Å; D64-I66 PolarHBondContact O-N 2.96Å; I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; I66-S68 VanDerWaalsContact O-N 3.12Å
67V41.2Very low39.4Very low85 Ų85125.6 Ų125.652%0.51573%0.728SS.*  trans-77.690.9166.2-1770000106.4V65 D69V65-V67 VanDerWaalsContact C-N 3.32Å; V65-V67 HydrophobicContact CG1-CG2 4.01Å; V65-V67 PolarHBondContact O-N 3.05Å; V67-D69 PolarHBondContact O-N 3.47Å
68S36.2Very low38.9Very low91 Ų91126.6 Ų126.664%0.63673%0.73SS**  trans-62.6104.4172.5-66.90000109.2I66 V70I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; I66-S68 VanDerWaalsContact O-N 3.12Å; S68-V70 PolarHBondContact O-N 3.32Å
69D39.2Very low38.9Very low152 Ų152123.9 Ų123.981%0.81372%0.724SS**  trans-76.862.2166.2-164.830.4000108.8V67V67-D69 PolarHBondContact O-N 3.47Å
70V37.3Very low38.3Very low110 Ų110123.6 Ų123.667%0.66772%0.722SS**  trans-97.3106.5172.91650000106.9S68 Y72S68-V70 PolarHBondContact O-N 3.32Å; V70-Y72 PolarHBondContact O-N 3.04Å; V70-Y72 VanDerWaalsContact O-N 3.16Å
71G38.2Very low38.3Very low65 Ų65127.8 Ų127.867%0.6773%0.727SS**  trans-47120.6167.900000109.5S73G71-S73 PolarHBondContact O-N 2.85Å
72Y39.5Very low38.1Very low226 Ų226126.4 Ų126.489%0.88672%0.724SS**  trans-53.4102.7-179.3-111.4-101.4000110.4V70V70-Y72 PolarHBondContact O-N 3.04Å; V70-Y72 VanDerWaalsContact O-N 3.16Å
73S39.9Very low37.9Very low80 Ų80126 Ų12656%0.55973%0.73SS**  trans-90.3115.7147.665.30000106.7G71 N75G71-S73 PolarHBondContact O-N 2.85Å; S73-N75 PolarHBondContact O-N 2.76Å
74P41.3Very low37.7Very low102 Ų102123.8 Ų123.866%0.66273%0.725SS**THydrogen-bonded Turntrans-63.4125.9174.827.2-30.8000107.5
75N38.3Very low37.7Very low158 Ų158125.8 Ų125.885%0.84573%0.73SS**THydrogen-bonded Turntrans111.825.4169.7-49.2-21.5000118.4S73S73-N75 PolarHBondContact O-N 2.76Å
76Q35.5Very low37.4Very low157 Ų157132 Ų13273%0.73474%0.74SS**  trans-126.883.6159.8-81.4-171.1500111.8V78Q76-V78 HydrophobicContact CB-CG2 4.18Å; Q76-V78 PolarHBondContact O-N 3.38Å
77C35.3Very low37.3Very low128 Ų128136.9 Ų136.987%0.86575%0.751SS**  trans-7082.8159.3-63.10000108.1S79C77-S79 PolarHBondContact O-N 2.73Å
78V35.4Very low37.1Very low115 Ų115135.7 Ų135.770%0.69776%0.756SS**  trans-82.6105169.2-1710000107.3Q76 S80Q76-V78 HydrophobicContact CB-CG2 4.18Å; Q76-V78 PolarHBondContact O-N 3.38Å; V78-S80 PolarHBondContact O-N 3.26Å
79S39.5Very low37.1Very low110 Ų110138.5 Ų138.577%0.76977%0.769SS**  trans-55.4100.8178.8-39.40000111.1C77 K81C77-S79 PolarHBondContact O-N 2.73Å; S79-K81 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 3.48Å
80S35.8Very low37.3Very low106 Ų106136.4 Ų136.474%0.74177%0.766SS**  trans-74.585.5168.458.70000109.1V78 I82V78-S80 PolarHBondContact O-N 3.26Å; S80-I82 PolarHBondContact O-N 3.3Å; S80-I82 VanDerWaalsContact O-N 3.17Å
81K40.3Very low37.3Very low192 Ų192140.5 Ų140.584%0.83578%0.778SS**  trans-74.499.4166.3-173.9175.4-178.5178.60107.6S79 P83S79-K81 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 3.48Å; K81-P83 VanDerWaalsContact O-CD 3.23Å; K81-P83 WeakPolarHBondContact O-CD 3.34Å
82I37.2Very low37.6Very low148 Ų148146 Ų14676%0.75979%0.786SS**  trans-65.5115.1172.3-59.1171.2000107.4S80 G84S80-I82 PolarHBondContact O-N 3.3Å; S80-I82 VanDerWaalsContact O-N 3.17Å; I82-G84 PolarHBondContact O-N 2.87Å; I82-G84 VanDerWaalsContact O-N 3.13Å
83P38.5Very low37.5Very low121 Ų121142 Ų14279%0.78679%0.786SS**  trans-77.999.8169.4315.8000106.9K81 Q85K81-P83 VanDerWaalsContact O-CD 3.23Å; K81-P83 WeakPolarHBondContact O-CD 3.34Å; P83-Q85 PolarHBondContact O-N 3.37Å
84G34.6Very low37.5Very low60 Ų60142.4 Ų142.462%0.61979%0.794SS**  trans-63116.2165.700000109.8I82I82-G84 PolarHBondContact O-N 2.87Å; I82-G84 VanDerWaalsContact O-N 3.13Å
85Q34Very low37.5Very low174 Ų174143.1 Ų143.181%0.81380%0.801SS**  trans72.690.1140.8-157.9-175.836.600117.8P83P83-Q85 PolarHBondContact O-N 3.37Å
86W32.8Very low37.8Very low254 Ų254145.1 Ų145.196%0.96280%0.803SS**  trans-147113.3146.6-71.894.5000110.7
87Y32.8Very low38.5Very low241 Ų241143.3 Ų143.395%0.94581%0.805SS**  trans-88.9114.7157.6-153.9-94.8000105.8
88G37.2Very low38.5Very low60 Ų60146.2 Ų146.262%0.61981%0.805SS**  trans172.894.9-176.800000110S90G88-S90 PolarHBondContact O-N 2.84Å
89V35.5Very low38.8Very low149 Ų149144.5 Ų144.590%0.90380%0.804SS**  trans-58.9114.9174.7172.60000109.4
90S45Very low38.8Very low108 Ų108145.5 Ų145.576%0.75581%0.805SS**  trans-152.1106.1155.259.90000109.1G88 E92G88-S90 PolarHBondContact O-N 2.84Å; S90-E92 PolarHBondContact O-N 2.91Å
91E36.3Very low39Very low196 Ų196146.5 Ų146.592%0.91681%0.807SS**  trans-61.8116.6154-75.3174.4135.700108
92E44.2Very low39.1Very low181 Ų181146.4 Ų146.485%0.84681%0.806SS**  trans-166.4123.1135.1-157.1167.316500109.8S90 A94S90-E92 PolarHBondContact O-N 2.91Å; E92-A94 PolarHBondContact O-N 3.23Å
93T39Very low39Very low142 Ų142145.3 Ų145.387%0.87181%0.809SS**  trans-64.4116.5177.444.40000112
94A39Very low39Very low88 Ų88145.9 Ų145.973%0.72781%0.81SS**  trans-148.2125.2157.700000110.6E92E92-A94 PolarHBondContact O-N 3.23Å
95S41Very low39.4Very low117 Ų117148.2 Ų148.282%0.81882%0.816SS**PPolyproline II helixtrans-50.9134.8-172.654.40000115.1
96F44.8Very low39.9Very low201 Ų201144.5 Ų144.588%0.88281%0.806SS**PPolyproline II helixtrans-78.1129.2168.5-64.3-83000110.8E98F96-E98 PolarHBondContact O-N 3.16Å
97P49.8Very low40.3Very low119 Ų119139.9 Ų139.977%0.77380%0.801SS**PPolyproline II helixtrans-77.4122.4171.829.8-29.8000110.2A99P97-A99 PolarHBondContact O-N 2.6Å; P97-A99 VanDerWaalsContact O-N 3.09Å
98E35.8Very low40.6Very low188 Ų188135.5 Ų135.588%0.87979%0.791SS**  trans-6994.9172.8-169.9173.1-169.300109.6F96F96-E98 PolarHBondContact O-N 3.16Å
99A41.5Very low40.6Very low80 Ų80142 Ų14266%0.66180%0.802SS**  trans-113.994.6172.500000109.4P97 T101P97-A99 PolarHBondContact O-N 2.6Å; P97-A99 VanDerWaalsContact O-N 3.09Å; A99-T101 PolarHBondContact O-N 3.39Å
100T40.6Very low40.6Very low130 Ų130144 Ų14480%0.79880%0.799SS**  trans-63.885.7169.945.80000110.8
101T40.1Very low40.3Very low127 Ų127143.5 Ų143.578%0.77980%0.801SS**  trans-99.5115.2163.343.10000109.2A99A99-T101 PolarHBondContact O-N 3.39Å
102K42.4Very low40.5Very low190 Ų190143.4 Ų143.483%0.82680%0.801SS**  trans-57.7140.4172.4-68.7-178.5176.7-179.10109V104K102-V104 PolarHBondContact O-N 2.94Å; K102-V104 VanDerWaalsContact O-N 3.13Å
103P34.9Very low40.5Very low126 Ų126141.1 Ų141.182%0.81880%0.799SS**  trans-63117.4-178.925.4-32.4000109.5
104V38.1Very low40.7Very low133 Ų133143.3 Ų143.381%0.80680%0.799SS**  trans-83.9111.4169.2175.50000106.4K102 P106K102-V104 PolarHBondContact O-N 2.94Å; K102-V104 VanDerWaalsContact O-N 3.13Å; V104-P106 VanDerWaalsContact O-CD 3.28Å; V104-P106 WeakPolarHBondContact O-CD 3.42Å
105C41.8Very low41Very low108 Ų108146 Ų14673%0.7380%0.802SS**  trans-66.2117.3171.1-66.60000108.4D107C105-D107 PolarHBondContact O-N 3.44Å
106P45.8Very low41.3Very low96 Ų96145 Ų14562%0.62379%0.792SS**  trans-71.2126.2177.726.4-30.1000110.2V104 M108V104-P106 VanDerWaalsContact O-CD 3.28Å; V104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-M108 WeakPolarHBondContact O-CG 3.3Å; P106-M108 PolarHBondContact O-N 3.22Å
107D41.5Very low41.2Very low157 Ų157142.3 Ų142.384%0.8479%0.787SS**  trans-63.1102.4172.8-77.8-31.6000110.2C105 K109C105-D107 PolarHBondContact O-N 3.44Å; D107-K109 PolarHBondContact O-N 2.99Å
108M37.6Very low40.9Very low150 Ų150144.9 Ų144.974%0.73979%0.789SS**  trans-80.295.9179.7-45.6176.2-157.900108.8P106 F110P106-M108 WeakPolarHBondContact O-CG 3.3Å; P106-M108 PolarHBondContact O-N 3.22Å; M108-F110 PolarHBondContact O-N 3.47Å
109K37.9Very low41.3Very low197 Ų197142.2 Ų142.286%0.85779%0.785SS**  trans-83.1108.7170.6-76.2-176178.6179.60109.7D107 A111D107-K109 PolarHBondContact O-N 2.99Å; K109-A111 PolarHBondContact O-N 3.43Å
110F36.2Very low41.5Very low189 Ų189146.5 Ų146.583%0.82979%0.791SS**  trans-67.5116.5173-67.6-85.5000110M108 Q112M108-F110 PolarHBondContact O-N 3.47Å; F110-Q112 PolarHBondContact O-N 3.33Å
111A38.3Very low42Very low98 Ų98148 Ų14881%0.8179%0.794SS**  trans-73.1110.4169.500000108.5K109 V113K109-A111 PolarHBondContact O-N 3.43Å; A111-V113 PolarHBondContact O-N 2.94Å; A111-V113 VanDerWaalsContact O-N 3.07Å
112Q40.8Very low42.3Very low194 Ų194150.1 Ų150.191%0.90779%0.789SS**  trans-70.699.3173.2-157.2176.78.500107.7F110 E114F110-Q112 PolarHBondContact O-N 3.33Å; Q112-E114 PolarHBondContact O-N 2.95Å
113V44.1Very low42.6Very low133 Ų133146 Ų14681%0.80678%0.784SS**  trans-79.7108.7173.3100.80000107.4A111 N115A111-V113 PolarHBondContact O-N 2.94Å; A111-V113 VanDerWaalsContact O-N 3.07Å; V113-N115 PolarHBondContact O-N 2.85Å; V113-N115 VanDerWaalsContact O-N 3.11Å
114E42Very low43.4Very low189 Ų189146 Ų14688%0.88378%0.778SS**  trans-66.1104.2170.9-111.4173.3162.800108Q112 P116Q112-E114 PolarHBondContact O-N 2.95Å; E114-P116 WeakPolarHBondContact O-CD 3.18Å
115N46.6Very low44Very low144 Ų144148.4 Ų148.477%0.7778%0.78SS**  trans-83.1116.6171.9-174.53.8000108.9V113V113-N115 PolarHBondContact O-N 2.85Å; V113-N115 VanDerWaalsContact O-N 3.11Å
116P47.3Very low44.3Very low96 Ų96153.2 Ų153.262%0.62378%0.784SS**  trans-82125.9-179.731.7-30000111E114E114-P116 WeakPolarHBondContact O-CD 3.18Å
117N43.2Very low44.3Very low144 Ų144157.1 Ų157.177%0.7779%0.794SS**  trans82.2110149.3-58.4-36.3000119.3
118Q43.5Very low44.6Very low174 Ų174153.5 Ų153.581%0.81379%0.786SS**  trans91.6102.1133.5-72.3-174.6-10.200119.9
119V43.7Very low44.8Very low132 Ų132153.7 Ų153.780%0.879%0.79SS**  trans56.488.6132.2-169.40000115.7
120Q45.7Very low44.9Very low169 Ų169147.6 Ų147.679%0.7978%0.777SS**  -138.5123.7127.8-79-155.2-10.600110.2Y122Q120-Y122 VanDerWaalsContact C-N 3.33Å; Q120-Y122 PolarHBondContact O-N 2.66Å
121D50.2Low45.1Very low161 Ų161144.5 Ų144.586%0.86178%0.777SS**  trans-69.683.3178.2-152.58000108.6
122Y47.4Very low44.8Very low173 Ų173147.8 Ų147.868%0.67877%0.773SS**  trans-118.1105.2167.6-95.4-86.2000108.4Q120 N124Q120-Y122 VanDerWaalsContact C-N 3.33Å; Q120-Y122 PolarHBondContact O-N 2.66Å; Y122-N124 PolarHBondContact O-N 3.47Å
123S47.5Very low44.5Very low102 Ų102143.3 Ų143.371%0.71376%0.761SS**  trans-60.487.2164-76.90000108.6E125S123-E125 PolarHBondContact O-N 3.35Å
124N51.9Low43.8Very low128 Ų128146.5 Ų146.568%0.68477%0.765SS**  trans-92.691166.8-59.7-27.6000106Y122 Y126Y122-N124 PolarHBondContact O-N 3.47Å; N124-Y126 PolarHBondContact O-N 2.92Å
125E50.3Low43.4Very low183 Ų183144 Ų14486%0.85576%0.757SS**  trans-68.575165.8-53.6-179.6-136.200107.2S123 E127S123-E125 PolarHBondContact O-N 3.35Å; E125-E127 PolarHBondContact O-N 3.18Å
126Y49.5Very low42.8Very low208 Ų208142.7 Ų142.782%0.81676%0.758SS**  trans-77.781.5172.4-160.2-100.3000106.9N124 A128N124-Y126 PolarHBondContact O-N 2.92Å; Y126-A128 PolarHBondContact O-N 2.73Å; Y126-A128 VanDerWaalsContact O-N 3.08Å
127E45.9Very low42Very low179 Ų179148.1 Ų148.184%0.83677%0.772SS**  trans-64.6106.7174.2-158.7172-163.200107.4E125 D129E125-E127 PolarHBondContact O-N 3.18Å; E127-D129 PolarHBondContact O-N 2.86Å
128A47.1Very low41.8Very low81 Ų81145.6 Ų145.667%0.66977%0.771SS**  trans-59.2120.3-179.400000109.5Y126 A130Y126-A128 PolarHBondContact O-N 2.73Å; Y126-A128 VanDerWaalsContact O-N 3.08Å; A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 3.22Å
129D42.4Very low41.6Very low153 Ų153142.1 Ų142.182%0.81877%0.766SS**  trans-5693.4171-70.1-47.3000109.4E127 C131E127-D129 PolarHBondContact O-N 2.86Å; D129-C131 VanDerWaalsContact C-N 3.31Å; D129-C131 PolarHBondContact O-N 3.46Å
130A38.5Very low41.2Very low70 Ų70145.1 Ų145.158%0.57977%0.771SS**  trans-65.396.4169.900000107.3A128 F132A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 3.22Å; A130-F132 VanDerWaalsContact C-N 3.27Å; A130-F132 HydrophobicContact CB-CD2 4.25Å; A130-F132 HydrophobicContact CB-CE2 3.91Å; A130-F132 HydrophobicContact CB-CZ 4.48Å; A130-F132 VanDerWaalsContact O-CD2 3.25Å; A130-F132 WeakPolarHBondContact O-CD2 3.5Å; A130-F132 PolarHBondContact O-N 3.37Å
131C41.2Very low40.8Very low124 Ų124142.4 Ų142.484%0.83877%0.771SS**  trans-64.391.1170.1-157.60000107.2D129 P133D129-C131 VanDerWaalsContact C-N 3.31Å; D129-C131 PolarHBondContact O-N 3.46Å; C131-P133 WeakPolarHBondContact O-CD 3.27Å
132F31.9Very low40.2Very low167 Ų167140.3 Ų140.373%0.73277%0.769SS**  trans-69.5111.4176.1-79.8-85.3000108.7A130 F134A130-F132 VanDerWaalsContact C-N 3.27Å; A130-F132 HydrophobicContact CB-CD2 4.25Å; A130-F132 HydrophobicContact CB-CE2 3.91Å; A130-F132 HydrophobicContact CB-CZ 4.48Å; A130-F132 VanDerWaalsContact O-CD2 3.25Å; A130-F132 WeakPolarHBondContact O-CD2 3.5Å; A130-F132 PolarHBondContact O-N 3.37Å; F132-F134 PolarHBondContact O-N 3.39Å
133P35.6Very low39.6Very low99 Ų99140.5 Ų140.564%0.64378%0.781SS**  trans-73.5120.9169.912.33.1000107.5C131 D135C131-P133 WeakPolarHBondContact O-CD 3.27Å; P133-D135 PolarHBondContact O-N 3.31Å
134F29.3Very low39Very low201 Ų201142.3 Ų142.388%0.88278%0.782SS**  trans-71.769.6170-74-86.1000109.8F132 C136F132-F134 PolarHBondContact O-N 3.39Å; F134-C136 PolarHBondContact O-N 3.48Å
135D33.6Very low38.2Very low137 Ų137144.7 Ų144.773%0.73379%0.789SS**  trans-85.1101.5170.8-77.2-21.8000109.4P133P133-D135 PolarHBondContact O-N 3.31Å
136C34.1Very low37.4Very low115 Ų115139.9 Ų139.978%0.77778%0.776SS**  trans32.595.7142.5-61.40000116.7F134 A138F134-C136 PolarHBondContact O-N 3.48Å; C136-A138 VanDerWaalsContact C-N 3.27Å; C136-A138 PolarHBondContact O-N 3.36Å
137F30.6Very low36.5Very low211 Ų211139.1 Ų139.193%0.92578%0.779SS**  trans-6287.4160-71.1-84.5000110.3S139F137-S139 VanDerWaalsContact C-N 3.31Å; F137-S139 PolarHBondContact O-N 2.95Å
138A37.8Very low35.8Very low90 Ų90137 Ų13774%0.74478%0.778SS**  trans-81.883.8158.600000107.4C136 E140C136-A138 VanDerWaalsContact C-N 3.27Å; C136-A138 PolarHBondContact O-N 3.36Å; A138-E140 PolarHBondContact O-N 3.34Å; A138-E140 VanDerWaalsContact O-N 3.09Å
139S39Very low35.1Very low102 Ų102138.3 Ų138.371%0.71377%0.773SS**  trans-68.5105.8173.4570000109.2F137 S141F137-S139 VanDerWaalsContact C-N 3.31Å; F137-S139 PolarHBondContact O-N 2.95Å; S139-S141 PolarHBondContact O-N 3.42Å
140E35.3Very low34.6Very low195 Ų195138.5 Ų138.591%0.91177%0.773SS**  trans-61.7101.6166.6-65.7178.7169.100108.5A138 S142A138-E140 PolarHBondContact O-N 3.34Å; A138-E140 VanDerWaalsContact O-N 3.09Å; E140-S142 PolarHBondContact O-N 2.97Å
141S37.9Very low34.2Very low112 Ų112145.6 Ų145.678%0.78379%0.785SS**  trans-83.1106.2168.539.70000107.7S139 L143S139-S141 PolarHBondContact O-N 3.42Å; S141-L143 PolarHBondContact O-N 2.97Å
142S36.9Very low33.8Very low116 Ų116145.8 Ų145.881%0.81178%0.778SS**  trans-61.7121.5171.958.30000109.6E140 D144E140-S142 PolarHBondContact O-N 2.97Å; S142-D144 PolarHBondContact O-N 3.12Å
143L34.6Very low34.1Very low178 Ų178142.4 Ų142.493%0.93277%0.767SS**  trans-57.997.5167.9-84.4161.8000110.1S141S141-L143 PolarHBondContact O-N 2.97Å
144D35.7Very low34.2Very low140 Ų140145 Ų14575%0.74977%0.773SS**SBendtrans-155.4112.3143.6-144.116000110.5S142S142-D144 PolarHBondContact O-N 3.12Å
145E34.7Very low34.3Very low177 Ų177143.5 Ų143.583%0.82777%0.766SS**SBendtrans5659.6151.2-138.6171.4-160.300119.6
146S33Very low34.5Very low83 Ų83139.9 Ų139.958%0.5875%0.751SS**  trans-134.665.9158.363.30000112.9V148S146-V148 PolarHBondContact O-N 2.97Å
147H32.5Very low34.6Very low191 Ų191137.1 Ų137.188%0.88473%0.733SS**THydrogen-bonded Turntrans-66.420.9174.1-85.7-68.3000115.4
148V31Very low34.6Very low134 Ų134133.1 Ų133.181%0.81272%0.717SS**THydrogen-bonded Turntrans-127.1-6.9-178.6-175.70000115.1S146S146-V148 PolarHBondContact O-N 2.97Å
149I32.4Very low34.3Very low109 Ų109134.9 Ų134.956%0.55971%0.709SS**SBendtrans-96-13.1-176.2-59.2-171.5000115.2R151I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.75Å
150L30.2Very low34Very low158 Ų158134.4 Ų134.483%0.82770%0.697SS**THydrogen-bonded Turntrans-7913.5-172.7-65.5177.2000117.1
151R30.9Very low34.2Very low218 Ų218132 Ų13282%0.82369%0.686SS**THydrogen-bonded Turntrans-101.8-18.2174.2-167.2171.5-78.4-151.2-0.3114.6I149I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.75Å
152N32.1Very low34.3Very low129 Ų129131 Ų13169%0.6967%0.671SS**THydrogen-bonded Turntrans-91.7-18.9-176.2-72.4-18.6000114
153D39.5Very low34.8Very low95 Ų95129.5 Ų129.551%0.50865%0.65SS.*Hα-helixtrans-77.6-29.5-174.8-65.5-21.1000113.5K155 S156 S157D153-K155 VanDerWaalsContact C-N 3.33Å; D153-K155 PolarHBondContact O-N 2.96Å; D153-S156 PolarHBondContact O-N 2.95Å; D153-S157 PolarHBondContact O-N 2.91Å; D153-S157 PolarHBondContact O-OG 3.29Å
154M36.7Very low35.8Very low154 Ų154130 Ų13076%0.75964%0.639SS**Hα-helixtrans-69.4-30.8-177.4-158.9160.886.700112.8S157M154-S157 PolarHBondContact O-OG 3.37Å
155K32.9Very low37.1Very low170 Ų170125.4 Ų125.474%0.73963%0.625SS**Hα-helixtrans-80-33175.1-69-173.4177.4-176.90112.5D153 F159D153-K155 VanDerWaalsContact C-N 3.33Å; D153-K155 PolarHBondContact O-N 2.96Å; K155-F159 WeakPolarHBondContact O-CB 3.48Å; K155-F159 PolarHBondContact O-N 3.43Å
156S36.4Very low38.8Very low61 Ų61121.7 Ų121.743%0.42761%0.608SS.*Hα-helixtrans-68.4-41.4177.6-172.70000111.3D153 F159 L160D153-S156 PolarHBondContact O-N 2.95Å; S156-F159 PolarHBondContact O-N 3.35Å; S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.29Å; S156-L160 PolarHBondContact O-N 3.42Å
157S36.7Very low40.9Very low56 Ų56120.6 Ų120.639%0.39260%0.598SS.*Hα-helixtrans-64.1-45.4179.670.70000112.1D153 M154 L160 Q161D153-S157 PolarHBondContact O-N 2.91Å; D153-S157 PolarHBondContact O-OG 3.29Å; M154-S157 PolarHBondContact O-OG 3.37Å; S157-L160 PolarHBondContact O-N 3.4Å; S157-Q161 WeakPolarHBondContact O-CB 3.45Å; S157-Q161 VanDerWaalsContact O-CG 3.29Å; S157-Q161 WeakPolarHBondContact O-CG 2.84Å; S157-Q161 PolarHBondContact O-N 2.86Å
158E30.8Very low42.8Very low127 Ų127119.2 Ų119.259%0.59359%0.586SS**Hα-helixtrans-63.6-43.8178-166.3179.1-176.700111.6L160 Q161 I162E158-L160 PolarHBondContact O-N 3.26Å; E158-Q161 PolarHBondContact O-N 3.42Å; E158-I162 HydrophobicContact CG-CD1 4.11Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.17Å
159F30.5Very low44.9Very low128 Ų128116 Ų11656%0.56157%0.569SS**Hα-helixtrans-63.1-41.9176-176.7-99.2000112.4K155 S156 Q161 I162 K163K155-F159 WeakPolarHBondContact O-CB 3.48Å; K155-F159 PolarHBondContact O-N 3.43Å; S156-F159 PolarHBondContact O-N 3.35Å; F159-Q161 VanDerWaalsContact C-N 3.34Å; F159-I162 PolarHBondContact O-N 2.89Å; F159-K163 HydrophobicContact CD1-CG 4.24Å; F159-K163 HydrophobicContact CE1-CG 3.88Å; F159-K163 HydrophobicContact CE2-CG 4.39Å; F159-K163 HydrophobicContact CZ-CD 4.33Å; F159-K163 HydrophobicContact CZ-CG 3.96Å; F159-K163 WeakPolarHBondContact O-CB 3.4Å; F159-K163 VanDerWaalsContact O-CG 3.29Å; F159-K163 WeakPolarHBondContact O-CG 3.43Å; F159-K163 PolarHBondContact O-N 2.91Å
160L33.5Very low47.2Very low91 Ų91114.1 Ų114.148%0.47656%0.563SS.*Hα-helixtrans-63.7-38.9174.2-84.7161.2000111.8S156 S157 E158 K163 R164S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.29Å; S156-L160 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact O-N 3.4Å; E158-L160 PolarHBondContact O-N 3.26Å; L160-K163 PolarHBondContact O-N 3.33Å; L160-R164 WeakPolarHBondContact O-CB 3.17Å; L160-R164 VanDerWaalsContact O-CG 3.27Å; L160-R164 WeakPolarHBondContact O-CG 3.47Å; L160-R164 PolarHBondContact O-N 3.36Å
161Q38.4Very low49.7Very low144 Ų144110.3 Ų110.367%0.67354%0.542SS*.Hα-helixtrans-67.9-44.3176.7-72.3-14753.300112S157 E158 F159 K163 R164 G165S157-Q161 WeakPolarHBondContact O-CB 3.45Å; S157-Q161 VanDerWaalsContact O-CG 3.29Å; S157-Q161 WeakPolarHBondContact O-CG 2.84Å; S157-Q161 PolarHBondContact O-N 2.86Å; E158-Q161 PolarHBondContact O-N 3.42Å; F159-Q161 VanDerWaalsContact C-N 3.34Å; Q161-K163 VanDerWaalsContact C-N 3.32Å; Q161-K163 PolarHBondContact O-N 3Å; Q161-R164 PolarHBondContact O-N 3.11Å; Q161-G165 PolarHBondContact O-N 3.34Å
162I41.9Very low52.1Low91 Ų91103.5 Ų103.547%0.46752%0.519SS..Hα-helixtrans-59.3-45.7174.8-67.4165.5000109.9E158 F159 R164 G165 E166E158-I162 HydrophobicContact CG-CD1 4.11Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.17Å; F159-I162 PolarHBondContact O-N 2.89Å; I162-R164 PolarHBondContact O-N 2.77Å; I162-G165 PolarHBondContact O-N 2.92Å; I162-E166 PolarHBondContact O-N 2.02Å
163K47.1Very low54.6Low86 Ų86102.2 Ų102.237%0.37451%0.508SS..Hα-helixtrans-65.6-37177.7-73-73160.1-150.80112.8F159 L160 Q161 E166 V167F159-K163 HydrophobicContact CD1-CG 4.24Å; F159-K163 HydrophobicContact CE1-CG 3.88Å; F159-K163 HydrophobicContact CE2-CG 4.39Å; F159-K163 HydrophobicContact CZ-CD 4.33Å; F159-K163 HydrophobicContact CZ-CG 3.96Å; F159-K163 WeakPolarHBondContact O-CB 3.4Å; F159-K163 VanDerWaalsContact O-CG 3.29Å; F159-K163 WeakPolarHBondContact O-CG 3.43Å; F159-K163 PolarHBondContact O-N 2.91Å; L160-K163 PolarHBondContact O-N 3.33Å; Q161-K163 VanDerWaalsContact C-N 3.32Å; Q161-K163 PolarHBondContact O-N 3Å; K163-E166 IonicContact NZ-OE2 2.6Å; K163-E166 PolarHBondContact NZ-OE2 2.9Å; K163-V167 WeakPolarHBondContact O-CB 3.31Å; K163-V167 WeakPolarHBondContact O-CG2 3.19Å; K163-V167 PolarHBondContact O-N 3.44Å
164R53.9Low56.8Low188 Ų18899.2 Ų99.271%0.70949%0.491SS*.Hα-helixtrans-64.5-39.7172.7-78.8179.3-177.4-145.52.6111.7L160 Q161 I162 V167 Y168L160-R164 WeakPolarHBondContact O-CB 3.17Å; L160-R164 VanDerWaalsContact O-CG 3.27Å; L160-R164 WeakPolarHBondContact O-CG 3.47Å; L160-R164 PolarHBondContact O-N 3.36Å; Q161-R164 PolarHBondContact O-N 3.11Å; I162-R164 PolarHBondContact O-N 2.77Å; R164-V167 PolarHBondContact O-N 2.88Å; R164-Y168 VanDerWaalsContact O-CB 3.25Å; R164-Y168 WeakPolarHBondContact O-CB 3.44Å; R164-Y168 PolarHBondContact O-N 3.44Å
165G64Low59.1Low43 Ų4394.5 Ų94.544%0.44347%0.469SS..Hα-helixtrans-62.5-47.7176.500000112.6Q161 I162 Y168 S169Q161-G165 PolarHBondContact O-N 3.34Å; I162-G165 PolarHBondContact O-N 2.92Å; G165-Y168 PolarHBondContact O-N 3.39Å; G165-S169 PolarHBondContact O-N 2.76Å
166E70.9Confident61.5Low99 Ų9989.8 Ų89.846%0.46345%0.451SS..Hα-helixtrans-60.5-47.3176.1-70.7178.8164.300111.6I162 K163 Y168 S169 V170I162-E166 PolarHBondContact O-N 2.02Å; K163-E166 IonicContact NZ-OE2 2.6Å; K163-E166 PolarHBondContact NZ-OE2 2.9Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-Y168 PolarHBondContact O-N 3.34Å; E166-S169 PolarHBondContact O-N 3.26Å; E166-V170 WeakPolarHBondContact O-CG2 3.21Å; E166-V170 PolarHBondContact O-N 3.5Å
167V76.1Confident63.9Low61 Ų6193 Ų9337%0.3745%0.454SS..Hα-helixtrans-63.4-41.3178.9171.90000111K163 R164 V170 I171K163-V167 WeakPolarHBondContact O-CB 3.31Å; K163-V167 WeakPolarHBondContact O-CG2 3.19Å; K163-V167 PolarHBondContact O-N 3.44Å; R164-V167 PolarHBondContact O-N 2.88Å; V167-V170 PolarHBondContact O-N 2.9Å; V167-I171 HydrophobicContact CG1-CD1 3.61Å; V167-I171 HydrophobicContact CG1-CG1 4.32Å; V167-I171 WeakPolarHBondContact O-CB 3.37Å; V167-I171 VanDerWaalsContact O-CG1 3.27Å; V167-I171 WeakPolarHBondContact O-CG1 2.98Å; V167-I171 PolarHBondContact O-N 3.22Å
168Y73.3Confident66.4Low162 Ų16293.5 Ų93.564%0.63545%0.452SS*.Hα-helixtrans-64.1-42.3177.9-170.5-93.6000111.8R164 G165 E166 I171 K172R164-Y168 VanDerWaalsContact O-CB 3.25Å; R164-Y168 WeakPolarHBondContact O-CB 3.44Å; R164-Y168 PolarHBondContact O-N 3.44Å; G165-Y168 PolarHBondContact O-N 3.39Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-Y168 PolarHBondContact O-N 3.34Å; Y168-I171 PolarHBondContact O-N 3.29Å; Y168-K172 HydrophobicContact CE1-CD 4.3Å; Y168-K172 WeakPolarHBondContact O-CB 3.34Å; Y168-K172 PolarHBondContact O-N 3.45Å
169S73.8Confident69Low65 Ų6591.6 Ų91.646%0.45545%0.445SS..Hα-helixtrans-61-45.7176.1176.70000111.7G165 E166 K172 E173G165-S169 PolarHBondContact O-N 2.76Å; E166-S169 PolarHBondContact O-N 3.26Å; S169-K172 PolarHBondContact O-N 2.79Å; S169-E173 WeakPolarHBondContact O-CG 3.25Å; S169-E173 PolarHBondContact O-N 3.47Å
170V81.1Confident71.6Confident71 Ų7191.2 Ų91.243%0.4344%0.443SS..Hα-helixtrans-63.5-45.3178.2174.70000111.5E166 V167 K172 E173 E174E166-V170 WeakPolarHBondContact O-CG2 3.21Å; E166-V170 PolarHBondContact O-N 3.5Å; V167-V170 PolarHBondContact O-N 2.9Å; V170-K172 PolarHBondContact O-N 2.98Å; V170-E173 PolarHBondContact O-N 3.36Å; V170-E174 WeakPolarHBondContact O-CB 3.5Å; V170-E174 PolarHBondContact O-N 3.23Å
171I83.2Confident73.9Confident77 Ų7788.4 Ų88.440%0.39543%0.433SS..Hα-helixtrans-63.8-41.7177.8-67.9170.6000110.9V167 Y168 E174 I175V167-I171 HydrophobicContact CG1-CD1 3.61Å; V167-I171 HydrophobicContact CG1-CG1 4.32Å; V167-I171 WeakPolarHBondContact O-CB 3.37Å; V167-I171 VanDerWaalsContact O-CG1 3.27Å; V167-I171 WeakPolarHBondContact O-CG1 2.98Å; V167-I171 PolarHBondContact O-N 3.22Å; Y168-I171 PolarHBondContact O-N 3.29Å; I171-E174 PolarHBondContact O-N 2.83Å; I171-I175 HydrophobicContact CG2-CD1 3.73Å; I171-I175 HydrophobicContact CG2-CG1 4.34Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.39Å; I171-I175 PolarHBondContact O-N 3.12Å
172K81.3Confident75.9Confident76 Ų7685.3 Ų85.333%0.3342%0.424SS..Hα-helixtrans-60.9-47.9178.5179.8-177.4173.9-176.30111.5Y168 S169 V170 E174 I175 L176Y168-K172 HydrophobicContact CE1-CD 4.3Å; Y168-K172 WeakPolarHBondContact O-CB 3.34Å; Y168-K172 PolarHBondContact O-N 3.45Å; S169-K172 PolarHBondContact O-N 2.79Å; V170-K172 PolarHBondContact O-N 2.98Å; K172-E174 VanDerWaalsContact C-N 3.33Å; K172-E174 PolarHBondContact O-N 3.45Å; K172-I175 PolarHBondContact O-N 2.87Å; K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 PolarHBondContact O-N 3.22Å
173E84.4Confident77.7Confident101 Ų10186.6 Ų86.647%0.47243%0.428SS..Hα-helixtrans-63.8-38177.7-70.9-55.5130.600112.1S169 V170 L176 R177S169-E173 WeakPolarHBondContact O-CG 3.25Å; S169-E173 PolarHBondContact O-N 3.47Å; V170-E173 PolarHBondContact O-N 3.36Å; E173-L176 PolarHBondContact O-N 3.08Å; E173-R177 WeakPolarHBondContact O-CB 3.41Å; E173-R177 PolarHBondContact O-N 2.97Å
174E85.2Confident79.2Confident32 Ų3284.1 Ų84.115%0.1542%0.421CS..Hα-helixtrans-64.5-46.8175.7-163.169.1-146.300112N38 V170 I171 K172 L176 R177 I178N38-E174 VanDerWaalsContact ND2-CD 3.31Å; N38-E174 PolarHBondContact ND2-OE1 3.21Å; V170-E174 WeakPolarHBondContact O-CB 3.5Å; V170-E174 PolarHBondContact O-N 3.23Å; I171-E174 PolarHBondContact O-N 2.83Å; K172-E174 VanDerWaalsContact C-N 3.33Å; K172-E174 PolarHBondContact O-N 3.45Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 2.84Å; E174-R177 VanDerWaalsContact CD-CZ 3.49Å; E174-R177 VanDerWaalsContact CD-NH2 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.09Å; E174-R177 IonicContact OE1-CZ 2.73Å; E174-R177 IonicContact OE1-NH1 3.61Å; E174-R177 PolarHBondContact OE1-NH1 3.06Å; E174-R177 IonicContact OE1-NH2 3.34Å; E174-R177 IonicContact OE2-CZ 3.04Å; E174-R177 IonicContact OE2-NH1 2.66Å; E174-R177 PolarHBondContact OE2-NH1 3.17Å; E174-R177 IonicContact OE2-NH2 3.15Å; E174-R177 PolarHBondContact OE2-NH2 3.39Å; E174-I178 HydrophobicContact CG-CD1 4.35Å; E174-I178 WeakPolarHBondContact O-CG1 3.04Å; E174-I178 PolarHBondContact O-N 2.97Å
175I85.1Confident80.5Confident56 Ų5680.9 Ų80.929%0.28741%0.412SS..Hα-helixtrans-60.5-44176.4-70.2171.1000110.2I171 K172 R177 I178 L179I171-I175 HydrophobicContact CG2-CD1 3.73Å; I171-I175 HydrophobicContact CG2-CG1 4.34Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.39Å; I171-I175 PolarHBondContact O-N 3.12Å; K172-I175 PolarHBondContact O-N 2.87Å; I175-R177 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.46Å; I175-I178 PolarHBondContact O-N 2.85Å; I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.41Å; I175-L179 WeakPolarHBondContact O-CG 2.81Å; I175-L179 PolarHBondContact O-N 3.38Å
176L85.1Confident80.9Confident70 Ų7087.8 Ų87.837%0.36643%0.425SS..Hα-helixtrans-62.8-39.2178.6-171.766.8000111.6K172 E173 E174 L179 K180K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 PolarHBondContact O-N 3.22Å; E173-L176 PolarHBondContact O-N 3.08Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 2.84Å; L176-L179 PolarHBondContact O-N 3.4Å; L176-K180 WeakPolarHBondContact O-CG 3.4Å; L176-K180 PolarHBondContact O-N 2.93Å
177R86.3Confident81.2Confident128 Ų12889.7 Ų89.748%0.48343%0.428SS..Hα-helixtrans-63.5-45.5175.8-163-166.8-43.613615.8111.7E173 E174 I175 K180 A181E173-R177 WeakPolarHBondContact O-CB 3.41Å; E173-R177 PolarHBondContact O-N 2.97Å; E174-R177 VanDerWaalsContact CD-CZ 3.49Å; E174-R177 VanDerWaalsContact CD-NH2 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.09Å; E174-R177 IonicContact OE1-CZ 2.73Å; E174-R177 IonicContact OE1-NH1 3.61Å; E174-R177 PolarHBondContact OE1-NH1 3.06Å; E174-R177 IonicContact OE1-NH2 3.34Å; E174-R177 IonicContact OE2-CZ 3.04Å; E174-R177 IonicContact OE2-NH1 2.66Å; E174-R177 PolarHBondContact OE2-NH1 3.17Å; E174-R177 IonicContact OE2-NH2 3.15Å; E174-R177 PolarHBondContact OE2-NH2 3.39Å; I175-R177 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.46Å; R177-K180 PolarHBondContact O-N 3.08Å; R177-A181 WeakPolarHBondContact O-CB 3.28Å; R177-A181 PolarHBondContact O-N 3.03Å
178I88.4Confident81.1Confident68 Ų6890 Ų9035%0.34943%0.43SS..Hα-helixtrans-61.1-46.2176.5-68.4160.9000110.1E174 I175 K180 A181 T182E174-I178 HydrophobicContact CG-CD1 4.35Å; E174-I178 WeakPolarHBondContact O-CG1 3.04Å; E174-I178 PolarHBondContact O-N 2.97Å; I175-I178 PolarHBondContact O-N 2.85Å; I178-K180 PolarHBondContact O-N 2.96Å; I178-A181 PolarHBondContact O-N 3.17Å; I178-T182 HydrophobicContact CG2-CG2 4.39Å; I178-T182 WeakPolarHBondContact O-CG2 3.48Å; I178-T182 PolarHBondContact O-N 2.98Å; I178-T182 PolarHBondContact O-OG1 3.39Å
179L86.4Confident81.4Confident87 Ų8785.9 Ų85.946%0.45542%0.419SS..Hα-helixtrans-58.7-47.2177.7-75.5170.8000111.8I175 L176 A181 T182 Q183I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.41Å; I175-L179 WeakPolarHBondContact O-CG 2.81Å; I175-L179 PolarHBondContact O-N 3.38Å; L176-L179 PolarHBondContact O-N 3.4Å; L179-A181 PolarHBondContact O-N 3.44Å; L179-T182 WeakPolarHBondContact CA-OG1 3.47Å; L179-T182 PolarHBondContact O-N 3Å; L179-T182 PolarHBondContact O-OG1 2.73Å; L179-Q183 WeakPolarHBondContact O-CB 3.47Å; L179-Q183 PolarHBondContact O-N 3.01Å
180K85.1Confident81.4Confident120 Ų12086.1 Ų86.152%0.52242%0.415SS..Hα-helixtrans-59.6-44.4175.9-74.9176.6178.7178.10112.1L176 R177 I178 T182 Q183 C184L176-K180 WeakPolarHBondContact O-CG 3.4Å; L176-K180 PolarHBondContact O-N 2.93Å; R177-K180 PolarHBondContact O-N 3.08Å; I178-K180 PolarHBondContact O-N 2.96Å; K180-T182 PolarHBondContact O-N 3.13Å; K180-Q183 PolarHBondContact O-N 2.85Å; K180-C184 PolarHBondContact O-N 3.02Å; K180-C184 PolarHBondContact O-SG 2.77Å; K180-C184 VanDerWaalsContact O-SG 3.34Å
181A81.7Confident81.2Confident31 Ų3187.5 Ų87.526%0.25642%0.42SS..Hα-helixtrans-62.6-43.4177.600000111.9R177 I178 L179 Q183 C184 K185R177-A181 WeakPolarHBondContact O-CB 3.28Å; R177-A181 PolarHBondContact O-N 3.03Å; I178-A181 PolarHBondContact O-N 3.17Å; L179-A181 PolarHBondContact O-N 3.44Å; A181-Q183 VanDerWaalsContact C-N 3.33Å; A181-Q183 PolarHBondContact O-N 3.29Å; A181-C184 PolarHBondContact O-N 3.13Å; A181-K185 PolarHBondContact O-N 3.4Å
182T79.8Confident80.5Confident79 Ų7988.9 Ų88.949%0.48544%0.437SS..Hα-helixtrans-65-37175.856.60000112.4I178 L179 K180 K185 W186I178-T182 HydrophobicContact CG2-CG2 4.39Å; I178-T182 WeakPolarHBondContact O-CG2 3.48Å; I178-T182 PolarHBondContact O-N 2.98Å; I178-T182 PolarHBondContact O-OG1 3.39Å; L179-T182 WeakPolarHBondContact CA-OG1 3.47Å; L179-T182 PolarHBondContact O-N 3Å; L179-T182 PolarHBondContact O-OG1 2.73Å; K180-T182 PolarHBondContact O-N 3.13Å; T182-K185 PolarHBondContact O-N 3.18Å; T182-W186 WeakPolarHBondContact O-CB 3.42Å; T182-W186 PolarHBondContact O-N 3.44Å
183Q80.4Confident79.5Confident119 Ų11995.8 Ų95.856%0.55647%0.473SS*.Hα-helixtrans-67.4-41.3176.3-171.9-179.59.200111.6L179 K180 A181 W186 R187L179-Q183 WeakPolarHBondContact O-CB 3.47Å; L179-Q183 PolarHBondContact O-N 3.01Å; K180-Q183 PolarHBondContact O-N 2.85Å; A181-Q183 VanDerWaalsContact C-N 3.33Å; A181-Q183 PolarHBondContact O-N 3.29Å; Q183-W186 PolarHBondContact O-N 3.28Å; Q183-R187 PolarHBondContact O-N 3.09Å
184C77.3Confident79.2Confident33 Ų3395.6 Ų95.622%0.22347%0.473CS..Hα-helixtrans-61-46.3173.3-68.80000111.6C49 K180 A181 W186 R187 T188C49-C184 HydrophobicContact CB-CB 4.2Å; C49-C184 WeakPolarHBondContact CB-SG 3.48Å; C49-C184 WeakPolarHBondContact SG-CB 3.47Å; C49-C184 CovalentContact SG-SG 2.02Å; C49-C184 PolarHBondContact SG-SG 3.34Å; K180-C184 PolarHBondContact O-N 3.02Å; K180-C184 PolarHBondContact O-SG 2.77Å; K180-C184 VanDerWaalsContact O-SG 3.34Å; A181-C184 PolarHBondContact O-N 3.13Å; C184-W186 VanDerWaalsContact C-N 3.29Å; C184-W186 PolarHBondContact O-N 3.25Å; C184-R187 WeakPolarHBondContact O-CB 3.23Å; C184-R187 PolarHBondContact O-N 3.21Å; C184-R187 VanDerWaalsContact O-N 3.08Å; C184-T188 PolarHBondContact O-N 3.07Å; C184-T188 PolarHBondContact O-OG1 3.4Å
185K80.9Confident78.9Confident120 Ų12098.9 Ų98.952%0.52249%0.49SS..Hα-helixtrans-61.1-41.1-179.4-176.153.91771550111.5A181 T182 R187 T188 D189A181-K185 PolarHBondContact O-N 3.4Å; T182-K185 PolarHBondContact O-N 3.18Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 2.97Å; K185-T188 WeakPolarHBondContact CA-OG1 3.5Å; K185-T188 PolarHBondContact O-N 3.32Å; K185-T188 PolarHBondContact O-OG1 3.3Å; K185-D189 WeakPolarHBondContact CE-OD1 3.28Å; K185-D189 WeakPolarHBondContact CE-OD2 3.35Å; K185-D189 IonicContact NZ-OD1 2.73Å; K185-D189 PolarHBondContact NZ-OD1 3.07Å; K185-D189 IonicContact NZ-OD2 3.56Å; K185-D189 WeakPolarHBondContact O-CB 3.35Å; K185-D189 PolarHBondContact O-N 3.05Å
186W73.1Confident78.6Confident189 Ų189101.3 Ų101.372%0.71650%0.501SS*.Hα-helixtrans-65-36175.4-155.571000112.4T182 Q183 C184 N190T182-W186 WeakPolarHBondContact O-CB 3.42Å; T182-W186 PolarHBondContact O-N 3.44Å; Q183-W186 PolarHBondContact O-N 3.28Å; C184-W186 VanDerWaalsContact C-N 3.29Å; C184-W186 PolarHBondContact O-N 3.25Å; W186-N190 VanDerWaalsContact CE2-ND2 3.34Å; W186-N190 PolarHBondContact O-N 3.34Å; W186-N190 PolarHBondContact O-ND2 3.47Å
187R77.6Confident78.2Confident138 Ų138103.1 Ų103.152%0.52151%0.509SS..Hα-helixtrans-66.8-47.7174.6-171.8179.3-66.5164.8-1.4111.7Q183 C184 K185 D189 N190 D191Q183-R187 PolarHBondContact O-N 3.09Å; C184-R187 WeakPolarHBondContact O-CB 3.23Å; C184-R187 PolarHBondContact O-N 3.21Å; C184-R187 VanDerWaalsContact O-N 3.08Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 2.97Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-D189 PolarHBondContact O-N 3.12Å; R187-N190 PolarHBondContact O-N 3.11Å; R187-D191 WeakPolarHBondContact CG-OD2 3.41Å; R187-D191 PolarHBondContact O-N 3.41Å
188T73.5Confident77.7Confident68 Ų68101.6 Ų101.642%0.41751%0.51SS..Hα-helixtrans-62.2-36179.854.40000112.9C184 K185C184-T188 PolarHBondContact O-N 3.07Å; C184-T188 PolarHBondContact O-OG1 3.4Å; K185-T188 WeakPolarHBondContact CA-OG1 3.5Å; K185-T188 PolarHBondContact O-N 3.32Å; K185-T188 PolarHBondContact O-OG1 3.3Å
189D79Confident77Confident76 Ų76103.8 Ų103.841%0.40652%0.521SS..Hα-helixtrans-74.9-32.4-178.6-67.1-12.7000111.9K185 R187K185-D189 WeakPolarHBondContact CE-OD1 3.28Å; K185-D189 WeakPolarHBondContact CE-OD2 3.35Å; K185-D189 IonicContact NZ-OD1 2.73Å; K185-D189 PolarHBondContact NZ-OD1 3.07Å; K185-D189 IonicContact NZ-OD2 3.56Å; K185-D189 WeakPolarHBondContact O-CB 3.35Å; K185-D189 PolarHBondContact O-N 3.05Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-D189 PolarHBondContact O-N 3.12Å
190N74.1Confident76.3Confident70 Ų70105 Ų10537%0.37453%0.526SS..Hα-helixtrans-81.1-31.5177.2-73.6-59.1000113.3W186 R187 S192 M193W186-N190 VanDerWaalsContact CE2-ND2 3.34Å; W186-N190 PolarHBondContact O-N 3.34Å; W186-N190 PolarHBondContact O-ND2 3.47Å; R187-N190 PolarHBondContact O-N 3.11Å; N190-S192 PolarHBondContact O-N 3.22Å; N190-M193 PolarHBondContact O-N 3.4Å
191D76.3Confident75.6Confident100 Ų100103.8 Ų103.854%0.53553%0.526SS..Hα-helixtrans-71.5-14.2176.6-70.4-20000112.5R187R187-D191 WeakPolarHBondContact CG-OD2 3.41Å; R187-D191 PolarHBondContact O-N 3.41Å
192S69.2Low75.1Confident106 Ų106109.9 Ų109.974%0.74155%0.549SS*.THydrogen-bonded Turntrans-92.5-4.9177.4-172.50000114.4N190N190-S192 PolarHBondContact O-N 3.22Å
193M60.3Low74.7Confident221 Ų221112.7 Ų112.7100%1.08956%0.555SS**  trans-98.30177.5-71.3-17274.900111.8N190N190-M193 PolarHBondContact O-N 3.4Å

Retrieved 193 of 193 residues in 185.6 ms (Link to these results)