A0A5K4FAV1_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 835 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
1M40.8Very low48.1Very low244 Ų244123.8 Ų123.8100%1.20268%0.677SS**  0137.90-61.7167.977.500108
2Q38.3Very low48.2Very low200 Ų200120.9 Ų120.994%0.93565%0.652SS**  trans-84.6148.4174.3-74178.3-15.700110.4N4Q2-N4 PolarHBondContact O-N 3.02Å
3S47.3Very low48.5Very low108 Ų108119.9 Ų119.976%0.75565%0.645SS**  trans-73.8114.8-171.342.70000112.4P5S3-P5 WeakPolarHBondContact O-CD 3.23Å
4N46.3Very low48.9Very low101 Ų101117.6 Ų117.654%0.5464%0.637SS.*  trans-69.4119.6170.6-172.3-15.6000109.4Q2 A6 F7Q2-N4 PolarHBondContact O-N 3.02Å; N4-A6 PolarHBondContact O-N 2.73Å; N4-A6 VanDerWaalsContact O-N 3.13Å; N4-A6 PolarHBondContact OD1-N 3.26Å; N4-F7 HydrophobicContact CB-CD2 4.47Å
5P51.9Low48.9Very low116 Ų116115.1 Ų115.175%0.75362%0.622SS**THydrogen-bonded Turntrans-71.3-4.8-171.628.3-36.2000114.9S3 F7S3-P5 WeakPolarHBondContact O-CD 3.23Å; P5-F7 PolarHBondContact O-N 3.25Å
6A52.9Low48.7Very low85 Ų85112.4 Ų112.470%0.70262%0.615SS**THydrogen-bonded Turntrans-66.6-17.9177.700000114.7N4N4-A6 PolarHBondContact O-N 2.73Å; N4-A6 VanDerWaalsContact O-N 3.13Å; N4-A6 PolarHBondContact OD1-N 3.26Å
7F48.9Very low48.8Very low96 Ų96110.7 Ų110.742%0.42161%0.613SS.*SBendtrans-87.5128.8-179.4-69.3-74.5000112.8N4 P5 T11 K12 L15N4-F7 HydrophobicContact CB-CD2 4.47Å; P5-F7 PolarHBondContact O-N 3.25Å; F7-T11 WeakPolarHBondContact CB-OG1 3.46Å; F7-T11 HydrophobicContact CD1-CG2 4.47Å; F7-K12 HydrophobicContact CB-CG 4.23Å; F7-K12 VanDerWaalsContact O-CE 3.26Å; F7-K12 WeakPolarHBondContact O-CE 3.44Å; F7-K12 PolarHBondContact O-NZ 3.24Å; F7-L15 HydrophobicContact CD1-CD1 4.49Å; F7-L15 HydrophobicContact CE1-CD1 4.43Å
8S49.9Very low49Very low54 Ų54111.3 Ų111.338%0.37861%0.613SS.*  trans-61.9158.1168710000110.6E10 T11 K12S8-E10 PolarHBondContact O-N 3.41Å; S8-T11 PolarHBondContact N-OG1 3.36Å; S8-T11 VanDerWaalsContact N-OG1 3.11Å; S8-T11 PolarHBondContact O-N 3.04Å; S8-T11 VanDerWaalsContact O-N 3.16Å; S8-T11 PolarHBondContact O-OG1 2.95Å; S8-T11 PolarHBondContact OG-N 3.27Å; S8-T11 PolarHBondContact OG-OG1 3.01Å; S8-K12 WeakPolarHBondContact O-CG 3.26Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.08Å
9E49.5Very low48.2Very low153 Ų153112.2 Ų112.272%0.71562%0.617SS**Hα-helixtrans-61.6-31.4179.1-61.9-168.5128.600112.3K12 I13E9-K12 WeakPolarHBondContact O-CB 3.41Å; E9-K12 PolarHBondContact O-N 3.44Å; E9-I13 WeakPolarHBondContact O-CG1 3.17Å; E9-I13 PolarHBondContact O-N 3.44Å
10E48.6Very low47.6Very low148 Ų148109.7 Ų109.769%0.69261%0.612SS**Hα-helixtrans-59-48.8172.9-60.8159.5155.600111.7S8 K12 I13 V14S8-E10 PolarHBondContact O-N 3.41Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 2.91Å; E10-I13 PolarHBondContact O-N 3.14Å; E10-V14 PolarHBondContact O-N 3.28Å
11T54.9Low47Very low57 Ų57110.1 Ų110.135%0.3562%0.62SS.*Hα-helixtrans-66.4-30.4174.740.10000113.4F7 S8 L15F7-T11 WeakPolarHBondContact CB-OG1 3.46Å; F7-T11 HydrophobicContact CD1-CG2 4.47Å; S8-T11 PolarHBondContact N-OG1 3.36Å; S8-T11 VanDerWaalsContact N-OG1 3.11Å; S8-T11 PolarHBondContact O-N 3.04Å; S8-T11 VanDerWaalsContact O-N 3.16Å; S8-T11 PolarHBondContact O-OG1 2.95Å; S8-T11 PolarHBondContact OG-N 3.27Å; S8-T11 PolarHBondContact OG-OG1 3.01Å; T11-L15 WeakPolarHBondContact O-CB 3.47Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 3.18Å; T11-L15 VanDerWaalsContact O-N 3.1Å
12K49.6Very low46.9Very low89 Ų89104 Ų10439%0.38760%0.601SS.*Hα-helixtrans-66.3-42173.8-66.9172.9-1761270111.5F7 S8 E9 E10 L15 S16F7-K12 HydrophobicContact CB-CG 4.23Å; F7-K12 VanDerWaalsContact O-CE 3.26Å; F7-K12 WeakPolarHBondContact O-CE 3.44Å; F7-K12 PolarHBondContact O-NZ 3.24Å; S8-K12 WeakPolarHBondContact O-CG 3.26Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.08Å; E9-K12 WeakPolarHBondContact O-CB 3.41Å; E9-K12 PolarHBondContact O-N 3.44Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 2.91Å; K12-L15 PolarHBondContact O-N 3.2Å; K12-S16 WeakPolarHBondContact O-CB 3.41Å; K12-S16 PolarHBondContact O-N 3.22Å; K12-S16 PolarHBondContact O-OG 3.2Å
13I52.2Low46.6Very low108 Ų108101.6 Ų101.655%0.55459%0.594SS**Hα-helixtrans-59-54.1177.1-68.2162.9000109.6E9 E10 L15 S16 S17E9-I13 WeakPolarHBondContact O-CG1 3.17Å; E9-I13 PolarHBondContact O-N 3.44Å; E10-I13 PolarHBondContact O-N 3.14Å; I13-L15 PolarHBondContact O-N 2.88Å; I13-S16 CarbonylContact O-C 3.52Å; I13-S16 PolarHBondContact O-N 3.29Å; I13-S16 PolarHBondContact O-OG 2.77Å; I13-S17 PolarHBondContact O-N 3.47Å; I13-S17 PolarHBondContact O-OG 2.84Å; I13-S17 VanDerWaalsContact O-OG 3.13Å
14V53.5Low45.7Very low88 Ų88103.5 Ų103.553%0.53359%0.594SS.*Hα-helixtrans-57.5-45.8-179.8177.20000112.1E10 S16 S17 I18E10-V14 PolarHBondContact O-N 3.28Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.39Å; V14-S17 WeakPolarHBondContact O-CB 3.15Å; V14-S17 PolarHBondContact O-N 3.5Å; V14-I18 HydrophobicContact CG1-CD1 4.08Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.32Å; V14-I18 VanDerWaalsContact O-N 3.16Å
15L48.8Very low45Very low79 Ų79103 Ų10341%0.41460%0.595SS.*Hα-helixtrans-65.8-31.9177.4-72.5168.3000113F7 T11 K12 I13 N19F7-L15 HydrophobicContact CD1-CD1 4.49Å; F7-L15 HydrophobicContact CE1-CD1 4.43Å; T11-L15 WeakPolarHBondContact O-CB 3.47Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 3.18Å; T11-L15 VanDerWaalsContact O-N 3.1Å; K12-L15 PolarHBondContact O-N 3.2Å; I13-L15 PolarHBondContact O-N 2.88Å; L15-N19 WeakPolarHBondContact O-CB 3.49Å; L15-N19 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 3.13Å
16S45.9Very low43.9Very low72 Ų72104.2 Ų104.250%0.50360%0.595SS.*Hα-helixtrans-74.5-27.4173.770.70000113.4K12 I13 V14 A20K12-S16 WeakPolarHBondContact O-CB 3.41Å; K12-S16 PolarHBondContact O-N 3.22Å; K12-S16 PolarHBondContact O-OG 3.2Å; I13-S16 CarbonylContact O-C 3.52Å; I13-S16 PolarHBondContact O-N 3.29Å; I13-S16 PolarHBondContact O-OG 2.77Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.39Å; S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.14Å
17S49.7Very low43Very low84 Ų84107.6 Ų107.659%0.58760%0.596SS**Hα-helixtrans-70.4-34.4172.1-55.30000112.5I13 V14I13-S17 PolarHBondContact O-N 3.47Å; I13-S17 PolarHBondContact O-OG 2.84Å; I13-S17 VanDerWaalsContact O-OG 3.13Å; V14-S17 WeakPolarHBondContact O-CB 3.15Å; V14-S17 PolarHBondContact O-N 3.5Å
18I52.7Low42.2Very low121 Ų121111.3 Ų111.362%0.62162%0.615SS**Hα-helixtrans-76.7-38177.9-64.1163.7000111.5V14V14-I18 HydrophobicContact CG1-CD1 4.08Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.32Å; V14-I18 VanDerWaalsContact O-N 3.16Å
19N34.6Very low41.3Very low128 Ų128116.1 Ų116.168%0.68464%0.637SS**SBendtrans-94.910.7-177.5-70.3-30.9000114.3L15 P21L15-N19 WeakPolarHBondContact O-CB 3.49Å; L15-N19 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 3.13Å; N19-P21 WeakPolarHBondContact O-CD 3.27Å
20A36.7Very low40.5Very low62 Ų62116.7 Ų116.751%0.51264%0.639SS.*SBendtrans-70.5116.516600000108S16 S22S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.14Å; A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.11Å
21P34.9Very low39.7Very low119 Ų119115.6 Ų115.677%0.77365%0.648SS**  trans-62.1121.1175.426.2-32.7000108N19 L23N19-P21 WeakPolarHBondContact O-CD 3.27Å; P21-L23 PolarHBondContact O-N 3.45Å
22S38.2Very low38.9Very low115 Ų115117.8 Ų117.880%0.80466%0.661SS**  trans-58.5102.5175.451.50000108.5A20 L24A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.11Å; S22-L24 PolarHBondContact O-N 3.19Å
23L30.6Very low38.1Very low150 Ų150122.9 Ų122.979%0.78569%0.686SS**  trans-59.5125.8-179.2-158.882.1000107.6P21 V25P21-L23 PolarHBondContact O-N 3.45Å; L23-V25 HydrophobicContact CB-CG2 4.32Å; L23-V25 HydrophobicContact CD2-CG2 4.08Å; L23-V25 HydrophobicContact CG-CG2 4.47Å; L23-V25 PolarHBondContact O-N 3.45Å
24L29.6Very low37.3Very low148 Ų148123.2 Ų123.278%0.77569%0.689SS**  trans-76.474.6-174.2-156.6162.3000109S22 N26S22-L24 PolarHBondContact O-N 3.19Å; L24-N26 WeakPolarHBondContact CD2-OD1 2.97Å; L24-N26 PolarHBondContact O-N 3.43Å
25V31.7Very low36.5Very low92 Ų92123.7 Ų123.756%0.55870%0.696SS**  trans-79.697.9177.6177.10000107.7L23 E27L23-V25 HydrophobicContact CB-CG2 4.32Å; L23-V25 HydrophobicContact CD2-CG2 4.08Å; L23-V25 HydrophobicContact CG-CG2 4.47Å; L23-V25 PolarHBondContact O-N 3.45Å; V25-E27 HydrophobicContact CG1-CB 4.28Å; V25-E27 HydrophobicContact CG1-CG 3.89Å; V25-E27 PolarHBondContact O-N 3.38Å
26N27.7Very low36.1Very low140 Ų140124.8 Ų124.875%0.74970%0.703SS**  trans-68.882165.4-73.4-11.3000109.4L24L24-N26 WeakPolarHBondContact CD2-OD1 2.97Å; L24-N26 PolarHBondContact O-N 3.43Å
27E34.3Very low35.8Very low156 Ų156127.8 Ų127.873%0.72971%0.713SS**  trans-108.585.2158.4-78-169.917100109.1V25V25-E27 HydrophobicContact CG1-CB 4.28Å; V25-E27 HydrophobicContact CG1-CG 3.89Å; V25-E27 PolarHBondContact O-N 3.38Å
28E32Very low35.5Very low174 Ų174126.4 Ų126.481%0.81371%0.707SS**  trans-51.7152.1152.1-61.1174.8123.100109
29N31.6Very low35Very low155 Ų155126.9 Ų126.983%0.82971%0.705SS**  trans8051.3-177.9-43.8-80.7000116.4
30Q33.3Very low35.3Very low165 Ų165127.7 Ų127.777%0.77170%0.704SS**  trans-139.8107.9141.1-121.7162.5110.800112.1V32Q30-V32 VanDerWaalsContact C-N 3.3Å; Q30-V32 PolarHBondContact O-N 2.93Å
31S30.8Very low35.5Very low126 Ų126132 Ų13288%0.88172%0.718SS**  trans-74.578.3176.855.90000110.8
32V38.5Very low35.6Very low103 Ų103132.9 Ų132.962%0.62472%0.715SS**  trans-106.989171.3-172.80000108.6Q30 N34Q30-V32 VanDerWaalsContact C-N 3.3Å; Q30-V32 PolarHBondContact O-N 2.93Å; V32-N34 HydrophobicContact CG1-CB 4.34Å; V32-N34 PolarHBondContact O-N 3.49Å
33E32.3Very low35.4Very low195 Ų195132.6 Ų132.691%0.91170%0.704SS**  trans-59.194.5169.7-178.1-178.2-157.100109.5
34N36Very low36Very low115 Ų115130.5 Ų130.562%0.61570%0.7SS**  trans-132.795.9-179.4-149.911.1000109.3V32 N36V32-N34 HydrophobicContact CG1-CB 4.34Å; V32-N34 PolarHBondContact O-N 3.49Å; N34-N36 PolarHBondContact O-N 3.3Å
35S37.4Very low36.7Very low98 Ų98129 Ų12969%0.68570%0.696SS**  trans-76.261.8-167.142.10000113.7D37 A38S35-D37 PolarHBondContact O-N 3.29Å; S35-A38 WeakPolarHBondContact O-CB 3.43Å; S35-A38 PolarHBondContact O-N 2.97Å
36N39Very low37.1Very low102 Ų102130.5 Ų130.555%0.54571%0.706SS.*G310 helixtrans-62.4-21.9177.5-73-38.4000113.5N34 A38 F39N34-N36 PolarHBondContact O-N 3.3Å; N36-A38 PolarHBondContact O-N 3.09Å; N36-F39 WeakPolarHBondContact O-CB 3.4Å; N36-F39 PolarHBondContact O-N 2.94Å
37D40.7Very low38.2Very low135 Ų135128.4 Ų128.472%0.72269%0.694SS**G310 helixtrans-60.9-16.8176.7-61.8-11.1000113.4S35 F39 E40S35-D37 PolarHBondContact O-N 3.29Å; D37-F39 PolarHBondContact O-N 2.73Å; D37-E40 PolarHBondContact O-N 3.26Å
38A43.6Very low39.5Very low55 Ų55124.3 Ų124.346%0.45568%0.677SS.*G310 helixtrans-62-19.6170.200000113.5S35 N36S35-A38 WeakPolarHBondContact O-CB 3.43Å; S35-A38 PolarHBondContact O-N 2.97Å; N36-A38 PolarHBondContact O-N 3.09Å
39F42.3Very low41.1Very low131 Ų131121.5 Ų121.558%0.57566%0.662SS**G310 helixtrans-76.1-30175.8-88.2-88.1000113.8N36 D37 L42N36-F39 WeakPolarHBondContact O-CB 3.4Å; N36-F39 PolarHBondContact O-N 2.94Å; D37-F39 PolarHBondContact O-N 2.73Å; F39-L42 PolarHBondContact O-N 3.1Å
40E39.6Very low42.9Very low145 Ų145120.6 Ų120.668%0.67865%0.653SS**G310 helixtrans-64.5-42.4176.6-72-72.112700110.6D37 L42 L43D37-E40 PolarHBondContact O-N 3.26Å; E40-L42 PolarHBondContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 2.74Å
41L41.3Very low44.8Very low153 Ų153115.6 Ų115.680%0.80163%0.633SS**G310 helixtrans-69.7-11.5-177.9-71.4170.6000114.9
42L37.3Very low46.5Very low137 Ų137111.6 Ų111.672%0.71760%0.602SS**G310 helixtrans-93.84.7175.5-82.3161.2000113.2F39 E40F39-L42 PolarHBondContact O-N 3.1Å; E40-L42 PolarHBondContact O-N 3.1Å
43L33.6Very low47.8Very low110 Ų110109.8 Ų109.858%0.57659%0.589SS**THydrogen-bonded Turntrans-102.6132.9173.3-69.4169.9000112.5E40E40-L43 PolarHBondContact O-N 2.74Å
44P44.3Very low49.6Very low105 Ų105105.2 Ų105.268%0.68257%0.57SS**THydrogen-bonded Turn-97.6121.2-58.432.5-22.5000109.1V46P44-V46 PolarHBondContact O-N 2.95Å
45V42.8Very low51.2Low116 Ų116103.3 Ų103.370%0.70356%0.562SS**  trans-63.1111.1158.31770000106.2L47V45-L47 PolarHBondContact O-N 2.73Å
46V40.7Very low52.5Low125 Ų12599.2 Ų99.276%0.75853%0.532SS*.  trans-64.998.5-179.6179.10000107.9P44 N48P44-V46 PolarHBondContact O-N 2.95Å; V46-N48 VanDerWaalsContact C-N 3.35Å; V46-N48 PolarHBondContact O-N 2.61Å
47L51.7Low53.7Low95 Ų9597.3 Ų97.350%0.49753%0.53SS..  trans-58.9100172.6-67.8174.8000107.6V45V45-L47 PolarHBondContact O-N 2.73Å
48N61Low54.9Low70 Ų7096.5 Ų96.537%0.37453%0.526SS..  trans-64.7159.1173.975.7-14000108.6V46 E50 T51 L52V46-N48 VanDerWaalsContact C-N 3.35Å; V46-N48 PolarHBondContact O-N 2.61Å; N48-E50 PolarHBondContact ND2-OE2 3Å; N48-E50 PolarHBondContact O-N 3.02Å; N48-E50 VanDerWaalsContact O-N 3.12Å; N48-T51 PolarHBondContact N-OG1 2.96Å; N48-T51 PolarHBondContact O-N 3.09Å; N48-T51 PolarHBondContact O-OG1 2.88Å; N48-T51 WeakPolarHBondContact OD1-CB 3.43Å; N48-T51 VanDerWaalsContact OD1-CG2 3.28Å; N48-T51 WeakPolarHBondContact OD1-CG2 3.46Å; N48-T51 PolarHBondContact OD1-N 3.07Å; N48-T51 PolarHBondContact OD1-OG1 3.39Å; N48-L52 PolarHBondContact O-N 3.33Å
49K66.3Low56.1Low115 Ų11599.4 Ų99.450%0.553%0.534SS..Hα-helixtrans-55.5-38.9-175.7-164.7-173.6173.8-176.50112.1L52 D53 D66K49-L52 CarbonylContact O-C 3.38Å; K49-L52 PolarHBondContact O-N 2.78Å; K49-L52 VanDerWaalsContact O-N 3.15Å; K49-D53 VanDerWaalsContact CE-OD1 3.22Å; K49-D53 WeakPolarHBondContact CE-OD1 3.45Å; K49-D53 WeakPolarHBondContact O-CB 3.5Å; K49-D53 VanDerWaalsContact O-CG 3.23Å; K49-D53 PolarHBondContact O-N 3.31Å; K49-D66 IonicContact NZ-OD2 3.39Å
50E69.5Low56.6Low137 Ų13796.5 Ų96.564%0.6454%0.541SS*.Hα-helixtrans-62.3-44-178.9-59.7169.5166.600113.3N48 L52 I54N48-E50 PolarHBondContact ND2-OE2 3Å; N48-E50 PolarHBondContact O-N 3.02Å; N48-E50 VanDerWaalsContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 2.89Å; E50-I54 WeakPolarHBondContact O-CD1 3.24Å; E50-I54 VanDerWaalsContact O-CG1 3.23Å; E50-I54 WeakPolarHBondContact O-CG1 3.14Å; E50-I54 PolarHBondContact O-N 3.34Å
51T71.6Confident57.2Low59 Ų5993.4 Ų93.436%0.36253%0.528SS..Hα-helixtrans-67.2-32.3174.7500000112N48 V55N48-T51 PolarHBondContact N-OG1 2.96Å; N48-T51 PolarHBondContact O-N 3.09Å; N48-T51 PolarHBondContact O-OG1 2.88Å; N48-T51 WeakPolarHBondContact OD1-CB 3.43Å; N48-T51 VanDerWaalsContact OD1-CG2 3.28Å; N48-T51 WeakPolarHBondContact OD1-CG2 3.46Å; N48-T51 PolarHBondContact OD1-N 3.07Å; N48-T51 PolarHBondContact OD1-OG1 3.39Å; T51-V55 WeakPolarHBondContact O-CG2 3.29Å; T51-V55 PolarHBondContact O-N 2.89Å
52L66.2Low57.5Low42 Ų4289.2 Ų89.222%0.2252%0.522CS..Hα-helixtrans-72.7-44.4176.6-159.2151.1000111.6N48 K49 E50 I54 V55 E56 I69N48-L52 PolarHBondContact O-N 3.33Å; K49-L52 CarbonylContact O-C 3.38Å; K49-L52 PolarHBondContact O-N 2.78Å; K49-L52 VanDerWaalsContact O-N 3.15Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 2.89Å; L52-I54 PolarHBondContact O-N 2.99Å; L52-V55 PolarHBondContact O-N 2.82Å; L52-E56 HydrophobicContact CD2-CG 4.03Å; L52-E56 VanDerWaalsContact CD2-OE1 3.29Å; L52-E56 WeakPolarHBondContact CD2-OE1 3.15Å; L52-E56 PolarHBondContact O-N 3.33Å; L52-I69 HydrophobicContact CD1-CD1 3.96Å; L52-I69 HydrophobicContact CD2-CD1 3.43Å; L52-I69 VanDerWaalsContact CD2-CD1 3.43Å; L52-I69 HydrophobicContact CG-CD1 4.3Å
53D66.4Low58.1Low65 Ų6585 Ų8535%0.34851%0.511SS..Hα-helixtrans-56.4-38.7172.4-68.4-27.3000110.9K49 A57K49-D53 VanDerWaalsContact CE-OD1 3.22Å; K49-D53 WeakPolarHBondContact CE-OD1 3.45Å; K49-D53 WeakPolarHBondContact O-CB 3.5Å; K49-D53 VanDerWaalsContact O-CG 3.23Å; K49-D53 PolarHBondContact O-N 3.31Å; D53-A57 WeakPolarHBondContact O-CB 3.19Å; D53-A57 PolarHBondContact O-N 3.04Å
54I71.3Confident58.8Low99 Ų9980.7 Ų80.751%0.50849%0.494SS..Hα-helixtrans-66.9-42.5174-71.4162.4000111.9E50 L52 A57 N58E50-I54 WeakPolarHBondContact O-CD1 3.24Å; E50-I54 VanDerWaalsContact O-CG1 3.23Å; E50-I54 WeakPolarHBondContact O-CG1 3.14Å; E50-I54 PolarHBondContact O-N 3.34Å; L52-I54 PolarHBondContact O-N 2.99Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-N58 WeakPolarHBondContact O-CB 3.01Å; I54-N58 VanDerWaalsContact O-CG 3.22Å; I54-N58 PolarHBondContact O-N 3.48Å; I54-N58 PolarHBondContact O-ND2 2.81Å
55V68.7Low58.7Low76 Ų7675.8 Ų75.846%0.46146%0.462SS..Hα-helixtrans-65.8-40.8176.6167.70000111.1T51 L52 N58 L59T51-V55 WeakPolarHBondContact O-CG2 3.29Å; T51-V55 PolarHBondContact O-N 2.89Å; L52-V55 PolarHBondContact O-N 2.82Å; V55-N58 PolarHBondContact O-N 2.92Å; V55-L59 HydrophobicContact CG1-CD1 3.79Å; V55-L59 HydrophobicContact CG1-CG 4.42Å; V55-L59 WeakPolarHBondContact O-CB 3.47Å; V55-L59 VanDerWaalsContact O-CG 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.25Å; V55-L59 PolarHBondContact O-N 3.5Å
56E64.4Low58.7Low11 Ų1171.6 Ų71.65%0.05144%0.436CS..Hα-helixtrans-60.4-45.8173-73.4-172.3-168.800111.8L52 N58 L59 G60 L61 G62 G65 D66L52-E56 HydrophobicContact CD2-CG 4.03Å; L52-E56 VanDerWaalsContact CD2-OE1 3.29Å; L52-E56 WeakPolarHBondContact CD2-OE1 3.15Å; L52-E56 PolarHBondContact O-N 3.33Å; E56-N58 PolarHBondContact O-N 2.84Å; E56-L59 PolarHBondContact O-N 2.85Å; E56-G60 PolarHBondContact O-N 3.22Å; E56-L61 HydrophobicContact CB-CB 4.15Å; E56-L61 HydrophobicContact CG-CB 4.41Å; E56-L61 CarbonylContact O-C 3.39Å; E56-L61 WeakPolarHBondContact O-CA 3.37Å; E56-L61 PolarHBondContact O-N 3.45Å; E56-G62 PolarHBondContact O-N 3.36Å; E56-G65 VanDerWaalsContact CD-CA 3.43Å; E56-G65 VanDerWaalsContact OE1-C 3.24Å; E56-G65 WeakPolarHBondContact OE1-CA 3.42Å; E56-G65 PolarHBondContact OE1-N 2.9Å; E56-G65 PolarHBondContact OE2-N 3.41Å; E56-D66 PolarHBondContact OE1-N 3.42Å
57A64Low58.8Low62 Ų6273.2 Ų73.251%0.51243%0.429SS..Hα-helixtrans-60-45176.400000112.2D53 I54 L59 G60D53-A57 WeakPolarHBondContact O-CB 3.19Å; D53-A57 PolarHBondContact O-N 3.04Å; I54-A57 PolarHBondContact O-N 3.02Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 2.93Å; A57-G60 PolarHBondContact O-N 3.4Å; A57-G60 VanDerWaalsContact O-N 3.16Å
58N67.3Low58.7Low119 Ų11972.8 Ų72.864%0.63642%0.42SS*.Hα-helixtrans-65.5-30.6178-71.6-23.7000113.2I54 V55 E56 G60I54-N58 WeakPolarHBondContact O-CB 3.01Å; I54-N58 VanDerWaalsContact O-CG 3.22Å; I54-N58 PolarHBondContact O-N 3.48Å; I54-N58 PolarHBondContact O-ND2 2.81Å; V55-N58 PolarHBondContact O-N 2.92Å; E56-N58 PolarHBondContact O-N 2.84Å; N58-G60 VanDerWaalsContact C-N 3.3Å
59L67Low58.1Low116 Ų11671.2 Ų71.261%0.60741%0.412SS*.THydrogen-bonded Turntrans-82.9-1.8176-70.2171.5000113.7V55 E56 A57 L61V55-L59 HydrophobicContact CG1-CD1 3.79Å; V55-L59 HydrophobicContact CG1-CG 4.42Å; V55-L59 WeakPolarHBondContact O-CB 3.47Å; V55-L59 VanDerWaalsContact O-CG 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.25Å; V55-L59 PolarHBondContact O-N 3.5Å; E56-L59 PolarHBondContact O-N 2.85Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 2.93Å; L59-L61 HydrophobicContact CB-CD1 4.02Å; L59-L61 HydrophobicContact CB-CG 3.97Å; L59-L61 HydrophobicContact CD1-CD1 4.11Å; L59-L61 PolarHBondContact O-N 3.1Å
60G52.9Low57Low70 Ų7068 Ų6872%0.72240%0.4SS*.THydrogen-bonded Turntrans72.112.1-172.200000114E56 A57 N58 G62E56-G60 PolarHBondContact O-N 3.22Å; A57-G60 PolarHBondContact O-N 3.4Å; A57-G60 VanDerWaalsContact O-N 3.16Å; N58-G60 VanDerWaalsContact C-N 3.3Å; G60-G62 VanDerWaalsContact C-N 3.25Å
61L54Low55.9Low79 Ų7965.5 Ų65.541%0.41440%0.395SS..  trans-87.38.9175.4-59.9175.9000112.8E56 L59 G63 G64E56-L61 HydrophobicContact CB-CB 4.15Å; E56-L61 HydrophobicContact CG-CB 4.41Å; E56-L61 CarbonylContact O-C 3.39Å; E56-L61 WeakPolarHBondContact O-CA 3.37Å; E56-L61 PolarHBondContact O-N 3.45Å; L59-L61 HydrophobicContact CB-CD1 4.02Å; L59-L61 HydrophobicContact CB-CG 3.97Å; L59-L61 HydrophobicContact CD1-CD1 4.11Å; L59-L61 PolarHBondContact O-N 3.1Å; L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.28Å; L61-G64 PolarHBondContact O-N 3.29Å; L61-G64 VanDerWaalsContact O-N 3.13Å
62G45.9Very low54.8Low66 Ų6665.6 Ų65.668%0.6840%0.399SS*.THydrogen-bonded Turntrans-59.681.5177.500000112.9E56 G60E56-G62 PolarHBondContact O-N 3.36Å; G60-G62 VanDerWaalsContact C-N 3.25Å
63G50.6Low53.7Low47 Ų4768.7 Ų68.749%0.48541%0.407SS..THydrogen-bonded Turntrans176.4-31.1-168.900000111.4L61L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.28Å
64G47.5Very low52.8Low20 Ų2071.1 Ų71.121%0.20642%0.42CS..  trans145.579.3159.600000114.7L61 D66 W67L61-G64 PolarHBondContact O-N 3.29Å; L61-G64 VanDerWaalsContact O-N 3.13Å; G64-D66 PolarHBondContact O-N 3.36Å; G64-D66 VanDerWaalsContact O-N 3.15Å; G64-W67 PolarHBondContact O-N 3Å
65G42.1Very low51.7Low2 Ų269.3 Ų69.32%0.02142%0.415CS..THydrogen-bonded Turntrans-59.4-17164.500000113.2E56 W67 W68 I69E56-G65 VanDerWaalsContact CD-CA 3.43Å; E56-G65 VanDerWaalsContact OE1-C 3.24Å; E56-G65 WeakPolarHBondContact OE1-CA 3.42Å; E56-G65 PolarHBondContact OE1-N 2.9Å; E56-G65 PolarHBondContact OE2-N 3.41Å; G65-W67 PolarHBondContact O-N 2.82Å; G65-W68 PolarHBondContact O-N 3.04Å; G65-W68 PolarHBondContact O-NE1 3.47Å; G65-I69 WeakPolarHBondContact O-CG1 3.47Å; G65-I69 PolarHBondContact O-N 3.04Å
66D42.9Very low51Low28 Ų2869.1 Ų69.115%0.1541%0.411CS..Hα-helixtrans-33.3-33.1154.8-89.8-43.7000114.4K49 E56 G64 D70 R73K49-D66 IonicContact NZ-OD2 3.39Å; E56-D66 PolarHBondContact OE1-N 3.42Å; G64-D66 PolarHBondContact O-N 3.36Å; G64-D66 VanDerWaalsContact O-N 3.15Å; D66-D70 CarbonylContact O-C 3.43Å; D66-D70 WeakPolarHBondContact O-CA 3.28Å; D66-D70 WeakPolarHBondContact O-CB 3.43Å; D66-D70 PolarHBondContact O-N 3.23Å; D66-R73 IonicContact OD1-CZ 3.13Å; D66-R73 VanDerWaalsContact OD1-CZ 3.23Å; D66-R73 IonicContact OD1-NH1 3.23Å; D66-R73 IonicContact OD1-NH2 2.67Å; D66-R73 PolarHBondContact OD1-NH2 2.74Å; D66-R73 IonicContact OD2-CZ 3.13Å; D66-R73 VanDerWaalsContact OD2-CZ 3.23Å; D66-R73 IonicContact OD2-NH1 3.53Å; D66-R73 PolarHBondContact OD2-NH1 2.85Å; D66-R73 IonicContact OD2-NH2 3.81Å; D66-R73 PolarHBondContact OD2-NH2 3.29Å
67W44.2Very low50.3Low160 Ų16072.8 Ų72.861%0.60643%0.428SS*.Hα-helixtrans-71.5-29.2179.774.4-108.8000115.2G64 G65G64-W67 PolarHBondContact O-N 3Å; G65-W67 PolarHBondContact O-N 2.82Å
68W49Very low49.6Very low85 Ų8573.7 Ų73.732%0.32243%0.427SS..Hα-helixtrans-96.2-22176.363-100.4000112.5G65 N122G65-W68 PolarHBondContact O-N 3.04Å; G65-W68 PolarHBondContact O-NE1 3.47Å; W68-N122 WeakPolarHBondContact CZ3-ND2 3.4Å
69I48.4Very low49.2Very low38 Ų3870.6 Ų70.620%0.19541%0.41CS..Hα-helixtrans-76.6-43.5171.8-61.4166.5000110.7L52 G65L52-I69 HydrophobicContact CD1-CD1 3.96Å; L52-I69 HydrophobicContact CD2-CD1 3.43Å; L52-I69 VanDerWaalsContact CD2-CD1 3.43Å; L52-I69 HydrophobicContact CG-CD1 4.3Å; G65-I69 WeakPolarHBondContact O-CG1 3.47Å; G65-I69 PolarHBondContact O-N 3.04Å
70D43.4Very low48.9Very low48 Ų4871 Ų7126%0.25742%0.422SS..  trans-132.287.1-173.3176.215.2000110.9D66 S72 R73D66-D70 CarbonylContact O-C 3.43Å; D66-D70 WeakPolarHBondContact O-CA 3.28Å; D66-D70 WeakPolarHBondContact O-CB 3.43Å; D66-D70 PolarHBondContact O-N 3.23Å; D70-S72 PolarHBondContact O-N 3.47Å; D70-S72 WeakPolarHBondContact OD1-CA 3.48Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S72 PolarHBondContact OD1-OG 3.47Å; D70-S72 PolarHBondContact OD2-OG 3.24Å; D70-R73 HydrophobicContact CB-CG 4.23Å; D70-R73 PolarHBondContact O-N 3.02Å; D70-R73 WeakPolarHBondContact OD2-CG 3.46Å; D70-R73 IonicContact OD2-NE 3.23Å; D70-R73 PolarHBondContact OD2-NE 3.1Å
71P46.1Very low49.3Very low83 Ų8373.6 Ų73.654%0.53942%0.42SS..THydrogen-bonded Turntrans-65.11.117627.4-35.4000114R73 K97 R101P71-R73 VanDerWaalsContact C-N 3.32Å; P71-K97 WeakPolarHBondContact O-CE 3.22Å; P71-R101 PolarHBondContact O-NH1 3.03Å
72S48.6Very low49.5Very low62 Ų6272.6 Ų72.643%0.43443%0.429SS..THydrogen-bonded Turntrans-67.4-34.5166.788.10000111.8D70D70-S72 PolarHBondContact O-N 3.47Å; D70-S72 WeakPolarHBondContact OD1-CA 3.48Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S72 PolarHBondContact OD1-OG 3.47Å; D70-S72 PolarHBondContact OD2-OG 3.24Å
73R43.4Very low50.3Low106 Ų10673.9 Ų73.940%0.442%0.42SS..SBendtrans-72.3158.8-176.7-56.2-123.2-169135.226.9111.7D66 D70 P71 K97D66-R73 IonicContact OD1-CZ 3.13Å; D66-R73 VanDerWaalsContact OD1-CZ 3.23Å; D66-R73 IonicContact OD1-NH1 3.23Å; D66-R73 IonicContact OD1-NH2 2.67Å; D66-R73 PolarHBondContact OD1-NH2 2.74Å; D66-R73 IonicContact OD2-CZ 3.13Å; D66-R73 VanDerWaalsContact OD2-CZ 3.23Å; D66-R73 IonicContact OD2-NH1 3.53Å; D66-R73 PolarHBondContact OD2-NH1 2.85Å; D66-R73 IonicContact OD2-NH2 3.81Å; D66-R73 PolarHBondContact OD2-NH2 3.29Å; D70-R73 HydrophobicContact CB-CG 4.23Å; D70-R73 PolarHBondContact O-N 3.02Å; D70-R73 WeakPolarHBondContact OD2-CG 3.46Å; D70-R73 IonicContact OD2-NE 3.23Å; D70-R73 PolarHBondContact OD2-NE 3.1Å; P71-R73 VanDerWaalsContact C-N 3.32Å; R73-K97 PolarHBondContact O-NZ 3.48Å
74N47.5Very low50.6Low116 Ų11679.7 Ų79.762%0.6243%0.428SS*.PPolyproline II helixtrans-84.4140171.7-69.2-18.5000109.6I76 K97N74-I76 PolarHBondContact O-N 2.81Å; N74-K97 PolarHBondContact OD1-NZ 3.22Å
75P48.2Very low50.9Low61 Ų6182.2 Ų82.240%0.39644%0.436SS..PPolyproline II helixtrans-58.5139.4168.627.6-33.3000108.6E93P75-E93 WeakPolarHBondContact CG-OE2 3.4Å
76I53.2Low51.3Low73 Ų7389.4 Ų89.437%0.37447%0.469SS..  trans-110.293176.3-58.3177.7000105.6N74 R84N74-I76 PolarHBondContact O-N 2.81Å; I76-R84 HydrophobicContact CG2-CB 4.24Å; I76-R84 HydrophobicContact CG2-CG 3.59Å
77E50.2Low51.6Low87 Ų8790.7 Ų90.741%0.40749%0.489SS..EExtended strand (participates in β ladder)trans-71149.2167.3-69.7-150.8128.900110.2R84 D85 I89E77-R84 WeakPolarHBondContact O-CA 3.22Å; E77-D85 PolarHBondContact O-N 3.41Å; E77-I89 WeakPolarHBondContact OE2-CD1 3.27Å
78V50.1Low51.8Low81 Ų8186.5 Ų86.549%0.49149%0.488SS..EExtended strand (participates in β ladder)trans-122.2126.1-176.9-175.70000107.7G82 N83V78-G82 VanDerWaalsContact CG1-C 3.47Å; V78-G82 VanDerWaalsContact CG1-CA 3.5Å; V78-N83 CarbonylContact C-O 3.51Å; V78-N83 VanDerWaalsContact CA-O 3.27Å; V78-N83 WeakPolarHBondContact CA-O 3.32Å
79D58Low51.7Low55 Ų5585.4 Ų85.429%0.29449%0.488SS..  trans-64.3172.6178.975.54.6000111.8N81 G82 N83D79-N81 PolarHBondContact O-N 3.41Å; D79-N81 WeakPolarHBondContact OD1-CA 3.3Å; D79-N81 VanDerWaalsContact OD1-CB 3.32Å; D79-N81 WeakPolarHBondContact OD1-CB 3.38Å; D79-N81 PolarHBondContact OD1-N 3.02Å; D79-G82 PolarHBondContact O-N 2.81Å; D79-G82 PolarHBondContact OD1-N 2.8Å; D79-N83 PolarHBondContact N-O 3.07Å; D79-N83 PolarHBondContact OD1-N 3.14Å; D79-N83 PolarHBondContact OD1-ND2 2.98Å; D79-N83 WeakPolarHBondContact OD2-CB 3.16Å; D79-N83 PolarHBondContact OD2-ND2 2.73Å
80S60.7Low51.7Low123 Ų12388.9 Ų88.986%0.8651%0.506SS*.THydrogen-bonded Turntrans-61.20.8176.352.40000115.1
81N61.9Low51.9Low125 Ų12593.4 Ų93.467%0.66853%0.531SS*.THydrogen-bonded Turntrans-126.3-1.4-171.1-65.974.4000112.8D79D79-N81 PolarHBondContact O-N 3.41Å; D79-N81 WeakPolarHBondContact OD1-CA 3.3Å; D79-N81 VanDerWaalsContact OD1-CB 3.32Å; D79-N81 WeakPolarHBondContact OD1-CB 3.38Å; D79-N81 PolarHBondContact OD1-N 3.02Å
82G58.6Low52.1Low58 Ų5894.4 Ų94.460%0.59854%0.535SS*.SBendtrans947.5177.700000116V78 D79V78-G82 VanDerWaalsContact CG1-C 3.47Å; V78-G82 VanDerWaalsContact CG1-CA 3.5Å; D79-G82 PolarHBondContact O-N 2.81Å; D79-G82 PolarHBondContact OD1-N 2.8Å
83N61Low52.2Low94 Ų9495.6 Ų95.650%0.50353%0.534SS..  trans-98156.4179.9-41.8-78.8000111.3V78 D79 D85V78-N83 CarbonylContact C-O 3.51Å; V78-N83 VanDerWaalsContact CA-O 3.27Å; V78-N83 WeakPolarHBondContact CA-O 3.32Å; D79-N83 PolarHBondContact N-O 3.07Å; D79-N83 PolarHBondContact OD1-N 3.14Å; D79-N83 PolarHBondContact OD1-ND2 2.98Å; D79-N83 WeakPolarHBondContact OD2-CB 3.16Å; D79-N83 PolarHBondContact OD2-ND2 2.73Å; N83-D85 PolarHBondContact O-N 3.27Å
84R56.8Low52.5Low169 Ų16992.6 Ų92.664%0.63853%0.532SS*.EExtended strand (participates in β ladder)trans-72.2123175.8-60.7-174.4173.9172.4-3.4111I76 E77I76-R84 HydrophobicContact CG2-CB 4.24Å; I76-R84 HydrophobicContact CG2-CG 3.59Å; E77-R84 WeakPolarHBondContact O-CA 3.22Å
85D53.9Low52.6Low73 Ų7390.8 Ų90.839%0.3953%0.528SS..EExtended strand (participates in β ladder)trans-90.5102.1166.5-167.4-29000108.7E77 N83 G87 A88E77-D85 PolarHBondContact O-N 3.41Å; N83-D85 PolarHBondContact O-N 3.27Å; D85-G87 VanDerWaalsContact C-N 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.24Å; D85-G87 PolarHBondContact OD1-N 3.38Å; D85-A88 PolarHBondContact OD1-N 2.89Å
86E51.9Low52.7Low153 Ų15390.9 Ų90.972%0.71553%0.529SS*.SBendtrans-86.93.3176-61.5-171.216800112.7L90E86-L90 WeakPolarHBondContact O-CD1 3.14Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å
87G47.6Very low52.4Low54 Ų5490 Ų9056%0.55752%0.523SS*.SBendtrans-114.4-38.4-16600000116.5D85 I89D85-G87 VanDerWaalsContact C-N 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.24Å; D85-G87 PolarHBondContact OD1-N 3.38Å; G87-I89 PolarHBondContact O-N 3.21Å
88A50Low52.6Low72 Ų7291.3 Ų91.360%0.59553%0.532SS*.SBendtrans-68.1-39.8-160.500000116.3D85D85-A88 PolarHBondContact OD1-N 2.89Å
89I45.8Very low52.8Low63 Ų6396.5 Ų96.532%0.32354%0.542SS..SBendtrans-116.3-2.5-165.7-58.1-164.8000114E77 G87 D91 V92 E93E77-I89 WeakPolarHBondContact OE2-CD1 3.27Å; G87-I89 PolarHBondContact O-N 3.21Å; I89-D91 PolarHBondContact O-N 3.48Å; I89-D91 VanDerWaalsContact O-N 3.07Å; I89-V92 PolarHBondContact O-N 3.01Å; I89-V92 VanDerWaalsContact O-N 3.1Å; I89-E93 HydrophobicContact CG2-CB 3.92Å; I89-E93 HydrophobicContact CG2-CG 3.51Å; I89-E93 PolarHBondContact O-N 3.38Å; I89-E93 VanDerWaalsContact O-N 3.14Å
90L48.1Very low52.7Low110 Ų110101.6 Ų101.658%0.57656%0.559SS**Hα-helixtrans-44.5-48.7-172.9-79.4-179.7000115.1E86 A94E86-L90 WeakPolarHBondContact O-CD1 3.14Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å; L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.13Å
91D48.3Very low52.2Low144 Ų14499.9 Ų99.977%0.7753%0.533SS*.Hα-helixtrans-69.5-36.6-174.8-82.1-9.5000113.7I89 S95I89-D91 PolarHBondContact O-N 3.48Å; I89-D91 VanDerWaalsContact O-N 3.07Å; D91-S95 WeakPolarHBondContact O-CB 3.46Å; D91-S95 PolarHBondContact O-N 2.72Å; D91-S95 PolarHBondContact O-OG 3.3Å
92V51Low52Low103 Ų10396.2 Ų96.262%0.62452%0.516SS*.Hα-helixtrans-80.8-49.3-175.6-178.80000110.1I89 S95 C96I89-V92 PolarHBondContact O-N 3.01Å; I89-V92 VanDerWaalsContact O-N 3.1Å; V92-S95 WeakPolarHBondContact O-CB 3.27Å; V92-S95 PolarHBondContact O-N 3.48Å; V92-C96 PolarHBondContact O-N 2.66Å; V92-C96 VanDerWaalsContact O-N 3.1Å
93E49Very low51.7Low87 Ų8796 Ų9641%0.40750%0.504SS..Hα-helixtrans-73.7-31.9179.6-82.4-172.9179.400113.2P75 I89 S95 C96 K97P75-E93 WeakPolarHBondContact CG-OE2 3.4Å; I89-E93 HydrophobicContact CG2-CB 3.92Å; I89-E93 HydrophobicContact CG2-CG 3.51Å; I89-E93 PolarHBondContact O-N 3.38Å; I89-E93 VanDerWaalsContact O-N 3.14Å; E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 2.75Å; E93-C96 PolarHBondContact O-N 3.41Å; E93-K97 WeakPolarHBondContact O-CB 3.42Å; E93-K97 PolarHBondContact O-N 3.49Å
94A50.5Low51.4Low44 Ų4495.2 Ų95.236%0.36450%0.496SS..Hα-helixtrans-62.9-35.3170.800000111.6L90 K97 I98L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.13Å; A94-K97 PolarHBondContact O-N 3.14Å; A94-I98 WeakPolarHBondContact O-CB 3.39Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.43Å; A94-I98 PolarHBondContact O-N 3.24Å
95S50.2Low51.4Low77 Ų7792.4 Ų92.454%0.53849%0.493SS..Hα-helixtrans-64.6-46.4175.1-630000111.9D91 V92 E93 W99D91-S95 WeakPolarHBondContact O-CB 3.46Å; D91-S95 PolarHBondContact O-N 2.72Å; D91-S95 PolarHBondContact O-OG 3.3Å; V92-S95 WeakPolarHBondContact O-CB 3.27Å; V92-S95 PolarHBondContact O-N 3.48Å; E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 2.75Å; S95-W99 PolarHBondContact O-N 2.64Å
96C50.4Low51.6Low63 Ų6397.9 Ų97.943%0.42651%0.509SS..Hα-helixtrans-62.9-43.3172.6-71.30000112V92 E93 I98 W99 Y100V92-C96 PolarHBondContact O-N 2.66Å; V92-C96 VanDerWaalsContact O-N 3.1Å; E93-C96 PolarHBondContact O-N 3.41Å; C96-I98 PolarHBondContact O-N 3.39Å; C96-W99 PolarHBondContact O-N 3.03Å; C96-W99 VanDerWaalsContact O-N 3.13Å; C96-Y100 HydrophobicContact CB-CD2 4.45Å; C96-Y100 VanDerWaalsContact O-CD2 3.27Å; C96-Y100 WeakPolarHBondContact O-CD2 3.4Å; C96-Y100 PolarHBondContact O-N 2.64Å
97K46.9Very low51.8Low55 Ų5595.1 Ų95.124%0.23950%0.499CS..Hα-helixtrans-58.9-48179.1-170.3171.2-173.3171.30110.8P71 R73 N74 E93 A94 W99 Y100 R101P71-K97 WeakPolarHBondContact O-CE 3.22Å; R73-K97 PolarHBondContact O-NZ 3.48Å; N74-K97 PolarHBondContact OD1-NZ 3.22Å; E93-K97 WeakPolarHBondContact O-CB 3.42Å; E93-K97 PolarHBondContact O-N 3.49Å; A94-K97 PolarHBondContact O-N 3.14Å; K97-W99 VanDerWaalsContact C-N 3.31Å; K97-W99 PolarHBondContact O-N 3.02Å; K97-Y100 PolarHBondContact O-N 3.45Å; K97-R101 VanDerWaalsContact O-CB 3.24Å; K97-R101 WeakPolarHBondContact O-CB 3.34Å; K97-R101 PolarHBondContact O-N 3.28Å
98I53.5Low52.3Low115 Ų11596.9 Ų96.959%0.5950%0.5SS*.Hα-helixtrans-57.8-43.3174.8-69.9162.4000111.2A94 C96 R101 T102A94-I98 WeakPolarHBondContact O-CB 3.39Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.43Å; A94-I98 PolarHBondContact O-N 3.24Å; C96-I98 PolarHBondContact O-N 3.39Å; I98-R101 PolarHBondContact O-N 3.44Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 2.95Å
99W54.8Low52.9Low189 Ų189100.7 Ų100.772%0.71651%0.506SS*.Hα-helixtrans-66-47.5-179.7-165.770.8000112.2S95 C96 K97 R101 T102S95-W99 PolarHBondContact O-N 2.64Å; C96-W99 PolarHBondContact O-N 3.03Å; C96-W99 VanDerWaalsContact O-N 3.13Å; K97-W99 VanDerWaalsContact C-N 3.31Å; K97-W99 PolarHBondContact O-N 3.02Å; W99-R101 VanDerWaalsContact C-N 3.32Å; W99-R101 PolarHBondContact O-N 3.17Å; W99-T102 PolarHBondContact O-N 3.32Å
100Y54.9Low53.6Low163 Ų163102.3 Ų102.364%0.63951%0.511SS*.Hα-helixtrans-65.4-30.5175.2-79.5-67.3000113.5C96 K97 P103 F104C96-Y100 HydrophobicContact CB-CD2 4.45Å; C96-Y100 VanDerWaalsContact O-CD2 3.27Å; C96-Y100 WeakPolarHBondContact O-CD2 3.4Å; C96-Y100 PolarHBondContact O-N 2.64Å; K97-Y100 PolarHBondContact O-N 3.45Å; Y100-P103 WeakPolarHBondContact O-CD 3.48Å; Y100-F104 VanDerWaalsContact O-CD2 3.27Å; Y100-F104 WeakPolarHBondContact O-CD2 3.44Å; Y100-F104 WeakPolarHBondContact O-CE2 3.43Å
101R51.6Low53.8Low86 Ų8699.3 Ų99.333%0.32550%0.498SS..Hα-helixtrans-79-24.2177.5-135.5178.7170127.73.8113.8P71 K97 I98 W99 P103 F104 D105P71-R101 PolarHBondContact O-NH1 3.03Å; K97-R101 VanDerWaalsContact O-CB 3.24Å; K97-R101 WeakPolarHBondContact O-CB 3.34Å; K97-R101 PolarHBondContact O-N 3.28Å; I98-R101 PolarHBondContact O-N 3.44Å; W99-R101 VanDerWaalsContact C-N 3.32Å; W99-R101 PolarHBondContact O-N 3.17Å; R101-P103 VanDerWaalsContact C-CD 3.44Å; R101-P103 VanDerWaalsContact C-N 3.3Å; R101-P103 VanDerWaalsContact O-N 3.13Å; R101-F104 PolarHBondContact O-N 2.74Å; R101-D105 WeakPolarHBondContact CD-OD2 3.39Å; R101-D105 WeakPolarHBondContact CG-OD1 3.39Å; R101-D105 VanDerWaalsContact CG-OD2 3.25Å; R101-D105 WeakPolarHBondContact CG-OD2 3.44Å; R101-D105 IonicContact NE-OD1 3.33Å; R101-D105 PolarHBondContact NE-OD1 2.93Å; R101-D105 VanDerWaalsContact NE-OD1 3.13Å; R101-D105 IonicContact NE-OD2 2.78Å; R101-D105 PolarHBondContact O-N 2.9Å
102T56.3Low54.3Low48 Ų4897.4 Ų97.429%0.29449%0.489SS..THydrogen-bonded Turntrans-52.7-35.1-173.8-680000114.7I98 W99 R106I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 2.95Å; W99-T102 PolarHBondContact O-N 3.32Å; T102-R106 WeakPolarHBondContact O-CB 3.32Å; T102-R106 VanDerWaalsContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CG 3.06Å
103P53.2Low54.8Low54 Ų5498 Ų9835%0.35149%0.488SS..THydrogen-bonded Turntrans-69.9-46.6170.2-2034000113.3Y100 R101 R106 D107 F110Y100-P103 WeakPolarHBondContact O-CD 3.48Å; R101-P103 VanDerWaalsContact C-CD 3.44Å; R101-P103 VanDerWaalsContact C-N 3.3Å; R101-P103 VanDerWaalsContact O-N 3.13Å; P103-R106 PolarHBondContact O-N 2.92Å; P103-D107 PolarHBondContact O-N 3.44Å; P103-F110 HydrophobicContact CB-CD1 4.09Å; P103-F110 HydrophobicContact CB-CE1 3.96Å
104F53.7Low55.4Low78 Ų7894.6 Ų94.634%0.34247%0.474SS..THydrogen-bonded Turntrans-66.5-40.9-175.9-63.3-102.6000112.8Y100 R101 R106 F110 C111Y100-F104 VanDerWaalsContact O-CD2 3.27Å; Y100-F104 WeakPolarHBondContact O-CD2 3.44Å; Y100-F104 WeakPolarHBondContact O-CE2 3.43Å; R101-F104 PolarHBondContact O-N 2.74Å; F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 2.89Å; F104-F110 HydrophobicContact CD2-CE1 4.4Å; F104-F110 HydrophobicContact CE1-CE1 4.36Å; F104-F110 HydrophobicContact CE2-CE1 4.12Å; F104-F110 HydrophobicContact CZ-CE1 4.09Å; F104-C111 HydrophobicContact CB-CB 4.34Å; F104-C111 HydrophobicContact CD1-CB 4.11Å
105D57Low55.8Low109 Ų10998 Ų9858%0.58348%0.478SS*.THydrogen-bonded Turntrans-76.2-13.3179-67.1-22.1000112.7R101R101-D105 WeakPolarHBondContact CD-OD2 3.39Å; R101-D105 WeakPolarHBondContact CG-OD1 3.39Å; R101-D105 VanDerWaalsContact CG-OD2 3.25Å; R101-D105 WeakPolarHBondContact CG-OD2 3.44Å; R101-D105 IonicContact NE-OD1 3.33Å; R101-D105 PolarHBondContact NE-OD1 2.93Å; R101-D105 VanDerWaalsContact NE-OD1 3.13Å; R101-D105 IonicContact NE-OD2 2.78Å; R101-D105 PolarHBondContact O-N 2.9Å
106R59.7Low56.6Low188 Ų188100.7 Ų100.771%0.70948%0.482SS*.THydrogen-bonded Turntrans-94.9-46.5176.1-75.8179.2-175.9-165.13.6112.5T102 P103 F104 P108T102-R106 WeakPolarHBondContact O-CB 3.32Å; T102-R106 VanDerWaalsContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CG 3.06Å; P103-R106 PolarHBondContact O-N 2.92Å; F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 2.89Å; R106-P108 WeakPolarHBondContact O-CD 3.44Å
107D56.1Low57.8Low96 Ų96102.7 Ų102.751%0.51349%0.488SS..  trans-115.590.6-173-63-47.3000109.8P103 E109 F110 C111P103-D107 PolarHBondContact O-N 3.44Å; D107-E109 PolarHBondContact O-N 2.76Å; D107-F110 HydrophobicContact CB-CB 3.74Å; D107-F110 WeakPolarHBondContact O-CA 3.45Å; D107-F110 VanDerWaalsContact O-CB 3.3Å; D107-F110 WeakPolarHBondContact O-CB 3.32Å; D107-F110 PolarHBondContact O-N 2.92Å; D107-C111 PolarHBondContact O-N 3.24Å
108P58.1Low59.2Low90 Ų90104.2 Ų104.258%0.58450%0.498SS*.Hα-helixtrans-63.4-26.2-17724.4-33.9000113.2R106 C111 N112R106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-C111 WeakPolarHBondContact O-CB 3.29Å; P108-C111 PolarHBondContact O-N 2.68Å; P108-N112 PolarHBondContact O-N 3.21Å; P108-N112 VanDerWaalsContact O-N 3.07Å
109E62.7Low60.1Low153 Ų153101.5 Ų101.572%0.71549%0.485SS*.Hα-helixtrans-66.3-38.5170.8-64.6-179-17400111.9D107 C111 N112 N113D107-E109 PolarHBondContact O-N 2.76Å; E109-C111 VanDerWaalsContact C-N 3.31Å; E109-N112 PolarHBondContact O-N 2.86Å; E109-N113 WeakPolarHBondContact O-CB 3.09Å; E109-N113 PolarHBondContact O-N 3.29Å; E109-N113 VanDerWaalsContact O-N 3.08Å; E109-N113 PolarHBondContact O-ND2 2.84Å
110F59.1Low61Low96 Ų9699.5 Ų99.542%0.42148%0.477SS..Hα-helixtrans-65.3-37.4172.4-178.3-95.8000111P103 F104 D107 S114P103-F110 HydrophobicContact CB-CD1 4.09Å; P103-F110 HydrophobicContact CB-CE1 3.96Å; F104-F110 HydrophobicContact CD2-CE1 4.4Å; F104-F110 HydrophobicContact CE1-CE1 4.36Å; F104-F110 HydrophobicContact CE2-CE1 4.12Å; F104-F110 HydrophobicContact CZ-CE1 4.09Å; D107-F110 HydrophobicContact CB-CB 3.74Å; D107-F110 WeakPolarHBondContact O-CA 3.45Å; D107-F110 VanDerWaalsContact O-CB 3.3Å; D107-F110 WeakPolarHBondContact O-CB 3.32Å; D107-F110 PolarHBondContact O-N 2.92Å; F110-S114 VanDerWaalsContact CE1-OG 3.29Å; F110-S114 WeakPolarHBondContact CE1-OG 3.23Å; F110-S114 WeakPolarHBondContact CZ-OG 3.47Å; F110-S114 WeakPolarHBondContact O-CB 3.3Å; F110-S114 PolarHBondContact O-N 3.49Å; F110-S114 PolarHBondContact O-OG 2.8Å
111C53.3Low62Low47 Ų4796.3 Ų96.332%0.31847%0.471SS..Hα-helixtrans-60.4-50.1175.3-172.50000112.1F104 D107 P108 E109 S114 Y115F104-C111 HydrophobicContact CB-CB 4.34Å; F104-C111 HydrophobicContact CD1-CB 4.11Å; D107-C111 PolarHBondContact O-N 3.24Å; P108-C111 WeakPolarHBondContact O-CB 3.29Å; P108-C111 PolarHBondContact O-N 2.68Å; E109-C111 VanDerWaalsContact C-N 3.31Å; C111-S114 PolarHBondContact O-N 2.75Å; C111-Y115 WeakPolarHBondContact O-CB 3.37Å; C111-Y115 PolarHBondContact O-N 3.23Å
112N57.9Low62.9Low105 Ų10594.1 Ų94.156%0.56147%0.466SS*.Hα-helixtrans-62.7-48.9179.3-71-13.6000112P108 E109 S114 Y115 H116P108-N112 PolarHBondContact O-N 3.21Å; P108-N112 VanDerWaalsContact O-N 3.07Å; E109-N112 PolarHBondContact O-N 2.86Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.3Å; N112-Y115 PolarHBondContact O-N 3.24Å; N112-H116 PolarHBondContact O-CD2 2.93Å; N112-H116 PolarHBondContact O-N 3.49Å
113N61.2Low63.9Low114 Ų11495.2 Ų95.261%0.6147%0.468SS*.Hα-helixtrans-62.1-39.6178.5-71.7-36.5000112E109 L117E109-N113 WeakPolarHBondContact O-CB 3.09Å; E109-N113 PolarHBondContact O-N 3.29Å; E109-N113 VanDerWaalsContact O-N 3.08Å; E109-N113 PolarHBondContact O-ND2 2.84Å; N113-L117 PolarHBondContact O-N 2.84Å; N113-L117 VanDerWaalsContact O-N 3.1Å
114S62.9Low65.1Low17 Ų1797 Ų9712%0.11947%0.474CS..Hα-helixtrans-70.9-31.8177.4-61.90000112.9F110 C111 N112 L117 L118F110-S114 VanDerWaalsContact CE1-OG 3.29Å; F110-S114 WeakPolarHBondContact CE1-OG 3.23Å; F110-S114 WeakPolarHBondContact CZ-OG 3.47Å; F110-S114 WeakPolarHBondContact O-CB 3.3Å; F110-S114 PolarHBondContact O-N 3.49Å; F110-S114 PolarHBondContact O-OG 2.8Å; C111-S114 PolarHBondContact O-N 2.75Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.3Å; S114-L117 PolarHBondContact O-N 2.81Å; S114-L118 VanDerWaalsContact O-CB 3.22Å; S114-L118 WeakPolarHBondContact O-CB 3.42Å; S114-L118 PolarHBondContact O-N 3.24Å
115Y58.7Low66Low115 Ų11596 Ų9645%0.45148%0.48SS..Hα-helixtrans-65.6-43175.4-174-102.7000111.6C111 N112 L118 N119C111-Y115 WeakPolarHBondContact O-CB 3.37Å; C111-Y115 PolarHBondContact O-N 3.23Å; N112-Y115 PolarHBondContact O-N 3.24Å; Y115-L118 PolarHBondContact O-N 2.85Å; Y115-N119 VanDerWaalsContact CE1-ND2 3.34Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.33Å; Y115-N119 WeakPolarHBondContact O-CB 3.28Å; Y115-N119 PolarHBondContact O-N 3.22Å
116H66.2Low66.9Low133 Ų13394.5 Ų94.562%0.61647%0.468SS*.Hα-helixtrans-63.3-41.6172.9-68.5-63.8000112.2N112 R120N112-H116 PolarHBondContact O-CD2 2.93Å; N112-H116 PolarHBondContact O-N 3.49Å; H116-R120 WeakPolarHBondContact O-CB 3.45Å; H116-R120 PolarHBondContact O-N 3.39Å
117L76.1Confident67.8Low105 Ų10588.3 Ų88.355%0.5545%0.448SS..Hα-helixtrans-64.5-43.8175.4179.560.3000112.3N113 S114 R120 L121N113-L117 PolarHBondContact O-N 2.84Å; N113-L117 VanDerWaalsContact O-N 3.1Å; S114-L117 PolarHBondContact O-N 2.81Å; L117-R120 PolarHBondContact O-N 3.48Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.45Å; L117-L121 WeakPolarHBondContact O-CB 3.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.86Å
118L75.8Confident68.9Low87 Ų8789.2 Ų89.246%0.45545%0.448SS..Hα-helixtrans-65.8-44.5-179.1-173.665.4000111.2S114 Y115 R120 L121 N122S114-L118 VanDerWaalsContact O-CB 3.22Å; S114-L118 WeakPolarHBondContact O-CB 3.42Å; S114-L118 PolarHBondContact O-N 3.24Å; Y115-L118 PolarHBondContact O-N 2.85Å; L118-R120 VanDerWaalsContact C-N 3.35Å; L118-R120 PolarHBondContact O-N 2.84Å; L118-L121 PolarHBondContact O-N 3.1Å; L118-N122 WeakPolarHBondContact O-CB 3.45Å; L118-N122 PolarHBondContact O-N 3.32Å
119N72.7Confident69.7Low59 Ų5986.6 Ų86.632%0.31644%0.437SS..Hα-helixtrans-59.7-44.1171.1-87.1-18.7000111.5Y115 L121 N122 E123Y115-N119 VanDerWaalsContact CE1-ND2 3.34Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.33Å; Y115-N119 WeakPolarHBondContact O-CB 3.28Å; Y115-N119 PolarHBondContact O-N 3.22Å; N119-L121 PolarHBondContact O-N 3.4Å; N119-N122 PolarHBondContact O-N 3.13Å; N119-E123 WeakPolarHBondContact O-CG 3.42Å; N119-E123 PolarHBondContact O-N 3.4Å
120R73.6Confident70.4Confident146 Ų14684.4 Ų84.455%0.55143%0.429SS*.Hα-helixtrans-64.9-38178.6-169.457.2167.7-178.1-2.5112.5H116 L117 L118 L124H116-R120 WeakPolarHBondContact O-CB 3.45Å; H116-R120 PolarHBondContact O-N 3.39Å; L117-R120 PolarHBondContact O-N 3.48Å; L118-R120 VanDerWaalsContact C-N 3.35Å; L118-R120 PolarHBondContact O-N 2.84Å; R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.23Å; R120-L124 WeakPolarHBondContact O-CG 3.37Å; R120-L124 PolarHBondContact O-N 2.75Å
121L75.2Confident71.2Confident96 Ų9684.6 Ų84.650%0.50343%0.434SS..Hα-helixtrans-66.2-38.4173.5-73.4170.4000112L117 L118 N119 L124 A125L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.45Å; L117-L121 WeakPolarHBondContact O-CB 3.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.86Å; L118-L121 PolarHBondContact O-N 3.1Å; N119-L121 PolarHBondContact O-N 3.4Å; L121-L124 PolarHBondContact O-N 3.38Å; L121-A125 WeakPolarHBondContact O-CB 3.43Å; L121-A125 PolarHBondContact O-N 2.89Å
122N72.2Confident72.1Confident40 Ų4086.9 Ų86.921%0.21444%0.44CS..Hα-helixtrans-67.4-44.4176-174.346.8000112.3W68 L118 N119 L124 A125 K126W68-N122 WeakPolarHBondContact CZ3-ND2 3.4Å; L118-N122 WeakPolarHBondContact O-CB 3.45Å; L118-N122 PolarHBondContact O-N 3.32Å; N119-N122 PolarHBondContact O-N 3.13Å; N122-L124 VanDerWaalsContact C-N 3.31Å; N122-L124 PolarHBondContact O-N 3.35Å; N122-A125 WeakPolarHBondContact O-CB 3.28Å; N122-A125 PolarHBondContact O-N 3.42Å; N122-A125 VanDerWaalsContact O-N 3.1Å; N122-K126 WeakPolarHBondContact ND2-CE 3.4Å; N122-K126 WeakPolarHBondContact O-CG 3.43Å; N122-K126 PolarHBondContact O-N 3.01Å
123E76.6Confident72.7Confident72 Ų7285.8 Ų85.834%0.33643%0.431SS..Hα-helixtrans-62.3-38.8173.2-64.3-44.3124.500111.6N119 A125 K126 I127N119-E123 WeakPolarHBondContact O-CG 3.42Å; N119-E123 PolarHBondContact O-N 3.4Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 2.92Å; E123-K126 PolarHBondContact O-N 3.03Å; E123-K126 IonicContact OE1-NZ 3.75Å; E123-K126 PolarHBondContact OE1-NZ 2.67Å; E123-K126 WeakPolarHBondContact OE2-CD 3.4Å; E123-K126 IonicContact OE2-NZ 3.28Å; E123-K126 PolarHBondContact OE2-NZ 2.93Å; E123-I127 WeakPolarHBondContact O-CB 3.22Å; E123-I127 WeakPolarHBondContact O-CD1 3.46Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 2.83Å
124L77.7Confident72.9Confident91 Ų9182.6 Ų82.648%0.47642%0.421SS..Hα-helixtrans-63.6-35.7172.3-73.3168.8000112.6R120 L121 N122 K128R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.23Å; R120-L124 WeakPolarHBondContact O-CG 3.37Å; R120-L124 PolarHBondContact O-N 2.75Å; L121-L124 PolarHBondContact O-N 3.38Å; N122-L124 VanDerWaalsContact C-N 3.31Å; N122-L124 PolarHBondContact O-N 3.35Å; L124-K128 VanDerWaalsContact O-CB 3.27Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 2.98Å
125A73.9Confident73.1Confident57 Ų5784.1 Ų84.147%0.47143%0.431SS..Hα-helixtrans-68-42.8174.800000112.1L121 N122 E123 K128 G129L121-A125 WeakPolarHBondContact O-CB 3.43Å; L121-A125 PolarHBondContact O-N 2.89Å; N122-A125 WeakPolarHBondContact O-CB 3.28Å; N122-A125 PolarHBondContact O-N 3.42Å; N122-A125 VanDerWaalsContact O-N 3.1Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 2.92Å; A125-K128 PolarHBondContact O-N 2.97Å; A125-G129 PolarHBondContact O-N 3.35Å
126K75.3Confident73.3Confident77 Ų7784.7 Ų84.734%0.33544%0.442SS..Hα-helixtrans-60.2-49.4172.4-68.1172.6-174.5171.70111.5N122 E123 K128 G129 L130N122-K126 WeakPolarHBondContact ND2-CE 3.4Å; N122-K126 WeakPolarHBondContact O-CG 3.43Å; N122-K126 PolarHBondContact O-N 3.01Å; E123-K126 PolarHBondContact O-N 3.03Å; E123-K126 IonicContact OE1-NZ 3.75Å; E123-K126 PolarHBondContact OE1-NZ 2.67Å; E123-K126 WeakPolarHBondContact OE2-CD 3.4Å; E123-K126 IonicContact OE2-NZ 3.28Å; E123-K126 PolarHBondContact OE2-NZ 2.93Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 2.89Å; K126-G129 PolarHBondContact O-N 2.92Å; K126-G129 VanDerWaalsContact O-N 3.15Å; K126-L130 WeakPolarHBondContact O-CG 3.19Å; K126-L130 PolarHBondContact O-N 3.28Å
127I78.4Confident73.2Confident59 Ų5986.5 Ų86.530%0.30344%0.443SS..Hα-helixtrans-59.1-43.8177.8-71.1164.1000110.4E123 G129 L130 I131E123-I127 WeakPolarHBondContact O-CB 3.22Å; E123-I127 WeakPolarHBondContact O-CD1 3.46Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 2.83Å; I127-G129 PolarHBondContact O-N 3.23Å; I127-L130 PolarHBondContact O-N 3.29Å; I127-I131 HydrophobicContact CG2-CD1 3.7Å; I127-I131 HydrophobicContact CG2-CG1 4.43Å; I127-I131 WeakPolarHBondContact O-CB 3.47Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 3.06Å
128K79.7Confident72.4Confident115 Ų11590.3 Ų90.350%0.546%0.455SS..Hα-helixtrans-60.3-44.6174.5-178.5-179.4174.2-67.50112L124 A125 K126 I131 E132L124-K128 VanDerWaalsContact O-CB 3.27Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 2.98Å; A125-K128 PolarHBondContact O-N 2.97Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 2.89Å; K128-I131 PolarHBondContact O-N 3.07Å; K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 IonicContact NZ-OE1 2.69Å; K128-E132 PolarHBondContact NZ-OE1 3.32Å; K128-E132 IonicContact NZ-OE2 3.05Å; K128-E132 PolarHBondContact NZ-OE2 3.37Å; K128-E132 WeakPolarHBondContact O-CG 3.43Å; K128-E132 PolarHBondContact O-N 2.94Å
129G74.9Confident71.1Confident34 Ų3493.4 Ų93.435%0.35147%0.467SS..Hα-helixtrans-61.6-43.8176.300000112.9A125 K126 I127 E132 E133A125-G129 PolarHBondContact O-N 3.35Å; K126-G129 PolarHBondContact O-N 2.92Å; K126-G129 VanDerWaalsContact O-N 3.15Å; I127-G129 PolarHBondContact O-N 3.23Å; G129-E132 PolarHBondContact O-N 3.2Å; G129-E133 PolarHBondContact O-N 3.32Å
130L77.5Confident69.7Low107 Ų10794.7 Ų94.756%0.5648%0.48SS*.Hα-helixtrans-66.1-36.1175.7-69.6169.1000112.4K126 I127 A134K126-L130 WeakPolarHBondContact O-CG 3.19Å; K126-L130 PolarHBondContact O-N 3.28Å; I127-L130 PolarHBondContact O-N 3.29Å; L130-A134 VanDerWaalsContact O-CB 3.23Å; L130-A134 WeakPolarHBondContact O-CB 3.34Å; L130-A134 PolarHBondContact O-N 3.02Å
131I75.4Confident68.2Low100 Ų10092.9 Ų92.951%0.51349%0.488SS..Hα-helixtrans-66.4-39.3172.5-71.7166.7000110.7I127 K128 S135I127-I131 HydrophobicContact CG2-CD1 3.7Å; I127-I131 HydrophobicContact CG2-CG1 4.43Å; I127-I131 WeakPolarHBondContact O-CB 3.47Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 3.06Å; K128-I131 PolarHBondContact O-N 3.07Å; I131-S135 VanDerWaalsContact O-CB 3.22Å; I131-S135 WeakPolarHBondContact O-CB 3.45Å; I131-S135 PolarHBondContact O-N 2.99Å; I131-S135 PolarHBondContact O-OG 3.27Å
132E72.4Confident66.5Low95 Ų9595.2 Ų95.244%0.44450%0.501SS..Hα-helixtrans-67.4-43175.9-75.8172.8161.900111.2K128 G129 S135 L136K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 IonicContact NZ-OE1 2.69Å; K128-E132 PolarHBondContact NZ-OE1 3.32Å; K128-E132 IonicContact NZ-OE2 3.05Å; K128-E132 PolarHBondContact NZ-OE2 3.37Å; K128-E132 WeakPolarHBondContact O-CG 3.43Å; K128-E132 PolarHBondContact O-N 2.94Å; G129-E132 PolarHBondContact O-N 3.2Å; E132-S135 PolarHBondContact O-N 3.48Å; E132-L136 WeakPolarHBondContact O-CB 3.35Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 3.27Å
133E69.7Low65Low82 Ų82102.8 Ų102.838%0.38354%0.535SS..Hα-helixtrans-61.5-47.2173-171.4-171.9161.300112.2G129 S135 L136 R137G129-E133 PolarHBondContact O-N 3.32Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 2.98Å; E133-L136 PolarHBondContact O-N 2.9Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 2.67Å; E133-R137 IonicContact OE1-NH1 2.68Å; E133-R137 PolarHBondContact OE1-NH1 2.99Å; E133-R137 IonicContact OE1-NH2 3.54Å; E133-R137 PolarHBondContact OE1-NH2 2.74Å
134A66.3Low63.2Low47 Ų47105.8 Ų105.839%0.38856%0.558SS.*Hα-helixtrans-65.5-35.3177.400000112.5L130 K138L130-A134 VanDerWaalsContact O-CB 3.23Å; L130-A134 WeakPolarHBondContact O-CB 3.34Å; L130-A134 PolarHBondContact O-N 3.02Å; A134-K138 WeakPolarHBondContact O-CG 3.11Å; A134-K138 PolarHBondContact O-N 3.3Å
135S66.7Low61.3Low49 Ų49104.6 Ų104.634%0.34357%0.567SS.*Hα-helixtrans-69.8-42174.3-59.60000111.5I131 E132 E133 R137 K138 H139I131-S135 VanDerWaalsContact O-CB 3.22Å; I131-S135 WeakPolarHBondContact O-CB 3.45Å; I131-S135 PolarHBondContact O-N 2.99Å; I131-S135 PolarHBondContact O-OG 3.27Å; E132-S135 PolarHBondContact O-N 3.48Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 2.98Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.91Å; S135-K138 CarbonylContact O-C 3.56Å; S135-K138 PolarHBondContact O-N 3.39Å; S135-K138 VanDerWaalsContact O-N 3.15Å; S135-H139 WeakPolarHBondContact O-CB 3.36Å; S135-H139 PolarHBondContact O-CD2 3.2Å; S135-H139 PolarHBondContact O-N 3.36Å
136L63.7Low59.6Low127 Ų127109.8 Ų109.867%0.66559%0.586SS**Hα-helixtrans-61.9-39.9174-73.7168000111.6E132 E133 H139 S140E132-L136 WeakPolarHBondContact O-CB 3.35Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 3.27Å; E133-L136 PolarHBondContact O-N 2.9Å; L136-H139 CarbonylContact O-C 3.59Å; L136-H139 PolarHBondContact O-N 3.08Å; L136-S140 PolarHBondContact O-N 3.28Å; L136-S140 VanDerWaalsContact O-N 3.16Å
137R63Low57.7Low171 Ų171112.8 Ų112.865%0.64561%0.606SS**Hα-helixtrans-62.1-40.3171.5-75.3-169.8178.4110.313112.7E133 S135 H139 S140E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 2.67Å; E133-R137 IonicContact OE1-NH1 2.68Å; E133-R137 PolarHBondContact OE1-NH1 2.99Å; E133-R137 IonicContact OE1-NH2 3.54Å; E133-R137 PolarHBondContact OE1-NH2 2.74Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.91Å; R137-H139 VanDerWaalsContact C-N 3.31Å; R137-S140 WeakPolarHBondContact O-CB 3.4Å; R137-S140 PolarHBondContact O-N 3.14Å
138K59.8Low56.1Low185 Ų185118.4 Ų118.480%0.80464%0.637SS**Hα-helixtrans-70.2-26.1174-73.4-179179.1-177.50113.4A134 S135 S140A134-K138 WeakPolarHBondContact O-CG 3.11Å; A134-K138 PolarHBondContact O-N 3.3Å; S135-K138 CarbonylContact O-C 3.56Å; S135-K138 PolarHBondContact O-N 3.39Å; S135-K138 VanDerWaalsContact O-N 3.15Å; K138-S140 VanDerWaalsContact C-N 3.32Å
139H48.8Very low54.4Low153 Ų153117.3 Ų117.371%0.70864%0.643SS**THydrogen-bonded Turntrans-91.415.7174.5-69.1-54.1000113.8S135 L136 R137 P141S135-H139 WeakPolarHBondContact O-CB 3.36Å; S135-H139 PolarHBondContact O-CD2 3.2Å; S135-H139 PolarHBondContact O-N 3.36Å; L136-H139 CarbonylContact O-C 3.59Å; L136-H139 PolarHBondContact O-N 3.08Å; R137-H139 VanDerWaalsContact C-N 3.31Å; H139-P141 VanDerWaalsContact O-CD 3.3Å; H139-P141 WeakPolarHBondContact O-CD 3.33Å
140S42.9Very low52.7Low85 Ų85122.7 Ų122.759%0.59466%0.664SS**  trans-101.889.4170170.20000109.8L136 R137 K138 N142L136-S140 PolarHBondContact O-N 3.28Å; L136-S140 VanDerWaalsContact O-N 3.16Å; R137-S140 WeakPolarHBondContact O-CB 3.4Å; R137-S140 PolarHBondContact O-N 3.14Å; K138-S140 VanDerWaalsContact C-N 3.32Å; S140-N142 PolarHBondContact O-N 3.31Å
141P42.8Very low50.8Low109 Ų109128.5 Ų128.571%0.70868%0.679SS**  trans-98.2100.5-169.119.31.9000110.4H139H139-P141 VanDerWaalsContact O-CD 3.3Å; H139-P141 WeakPolarHBondContact O-CD 3.33Å
142N39.3Very low48.9Very low144 Ų144131.8 Ų131.877%0.7769%0.692SS**  trans53.863.9159.5-56.3-21.7000117.1S140 V144S140-N142 PolarHBondContact O-N 3.31Å; N142-V144 PolarHBondContact O-N 2.98Å
143E39.4Very low47.3Very low199 Ų199133 Ų13393%0.9370%0.7SS**  trans-76.254.6155.2-69.8-155.1151.500111.3
144V39.4Very low45.5Very low136 Ų136138.9 Ų138.982%0.82472%0.72SS**  trans-102.495.4170.1179.70000107.9N142N142-V144 PolarHBondContact O-N 2.98Å
145G38.1Very low44Very low65 Ų65142 Ų14267%0.6773%0.726SS**  trans128.945.6166.300000118.2
146L38.6Very low42.2Very low166 Ų166144.1 Ų144.187%0.86974%0.741SS**SBendtrans-133.884.3161.8-77.8-178.4000113
147N34.4Very low41.2Very low141 Ų141144.9 Ų144.975%0.75475%0.751SS**  trans40.5109.1150.1-59.1-25000119.1S149N147-S149 PolarHBondContact O-N 3.5Å; N147-S149 VanDerWaalsContact O-N 3.08Å
148D44.7Very low40Very low177 Ų177143.8 Ų143.895%0.94776%0.758SS**THydrogen-bonded Turntrans-84.764.1-166.2-163.925.5000113.7
149S45.1Very low38.8Very low91 Ų91138.5 Ų138.564%0.63674%0.744SS**THydrogen-bonded Turntrans-146-50.9178.759.20000117.2N147N147-S149 PolarHBondContact O-N 3.5Å; N147-S149 VanDerWaalsContact O-N 3.08Å
150D39.4Very low38.1Very low148 Ų148138 Ų13879%0.79175%0.751SS**SBendtrans-112.727.4-157.9-69.4-72.3000115.9
151R37.4Very low37.6Very low229 Ų229138.6 Ų138.686%0.86475%0.748SS**  trans-120.6103.2169.9-73.6-168.4170.6-162.9-3.6112.1I153R151-I153 PolarHBondContact O-N 2.91Å
152Q35.1Very low37.2Very low168 Ų168136.2 Ų136.279%0.78574%0.743SS**  trans-58.4104165.1-65.8171.1-2.500108.7Y154Q152-Y154 WeakPolarHBondContact O-CD2 3.27Å; Q152-Y154 PolarHBondContact O-N 3.17Å
153I39Very low36.9Very low121 Ų121133.6 Ų133.662%0.62174%0.736SS**  trans-68.8114.6177.3-60.9178.2000107.7R151 H155R151-I153 PolarHBondContact O-N 2.91Å; I153-H155 VanDerWaalsContact C-N 3.32Å; I153-H155 PolarHBondContact O-CD2 2.85Å; I153-H155 PolarHBondContact O-N 3.5Å
154Y32.3Very low36.8Very low206 Ų206130 Ų13081%0.80872%0.721SS**  trans-71.190.7172.3-80.1-95.9000108.9Q152 S156Q152-Y154 WeakPolarHBondContact O-CD2 3.27Å; Q152-Y154 PolarHBondContact O-N 3.17Å; Y154-S156 PolarHBondContact O-N 3.37Å
155H33.3Very low36.5Very low112 Ų112128.5 Ų128.552%0.51971%0.708SS.*  trans-67.387-179.2-63.9-71.8000111.7I153I153-H155 VanDerWaalsContact C-N 3.32Å; I153-H155 PolarHBondContact O-CD2 2.85Å; I153-H155 PolarHBondContact O-N 3.5Å
156S30Very low36.6Very low93 Ų93132 Ų13265%0.6571%0.705SS**  trans-65.5142.4156.4500000109.5Y154 L158 S159Y154-S156 PolarHBondContact O-N 3.37Å; S156-L158 PolarHBondContact O-N 2.87Å; S156-S159 PolarHBondContact O-N 3.13Å
157T43.3Very low36.6Very low143 Ų143132.8 Ų132.888%0.87770%0.701SS**THydrogen-bonded Turntrans-77.931.3-157.753.10000115.6
158L37.1Very low36.5Very low149 Ų149131.3 Ų131.378%0.7869%0.694SS**THydrogen-bonded Turntrans-126.6-0.3175.1-70.6173000113.4S156 V160S156-L158 PolarHBondContact O-N 2.87Å; L158-V160 PolarHBondContact O-N 2.74Å
159S34Very low36Very low74 Ų74129.6 Ų129.652%0.51768%0.678SS.*  trans-77.3101.7166.2-170.60000109.8S156 N161S156-S159 PolarHBondContact O-N 3.13Å; S159-N161 VanDerWaalsContact C-N 3.32Å; S159-N161 PolarHBondContact O-N 3.35Å
160V35.5Very low35.5Very low142 Ų142131.9 Ų131.986%0.86168%0.682SS**  trans-67.596.8163.7-179.40000106.8L158 G162L158-V160 PolarHBondContact O-N 2.74Å; V160-G162 PolarHBondContact O-N 3.15Å
161N32Very low35.4Very low98 Ų98128.6 Ų128.652%0.52467%0.671SS.*  trans-65.892.1-173.5-122.334.9000110.1S159 S163S159-N161 VanDerWaalsContact C-N 3.32Å; S159-N161 PolarHBondContact O-N 3.35Å; N161-S163 PolarHBondContact O-N 2.99Å
162G34.2Very low35.2Very low59 Ų59125 Ų12561%0.60866%0.663SS**  trans-65.418.1174.100000114.8V160 M164V160-G162 PolarHBondContact O-N 3.15Å; G162-M164 PolarHBondContact O-N 2.86Å
163S33.3Very low35Very low88 Ų88121.9 Ų121.962%0.61566%0.658SS**  trans-74.356172-175.10000111N161N161-S163 PolarHBondContact O-N 2.99Å
164M37.3Very low34.6Very low125 Ų125122.4 Ų122.462%0.61666%0.662SS**  trans-66.8135.6152.6-71-144.7-69.300107.7G162 F166G162-M164 PolarHBondContact O-N 2.86Å; M164-F166 VanDerWaalsContact C-N 3.27Å; M164-F166 WeakPolarHBondContact O-CD2 3.44Å; M164-F166 PolarHBondContact O-N 2.77Å
165D33.3Very low34.7Very low104 Ų104123 Ų12356%0.55666%0.663SS**  trans-69.580.3-178.7-72.7-58.9000111.6K167 N168D165-K167 PolarHBondContact O-N 3.01Å; D165-N168 HydrophobicContact CB-CB 4.37Å; D165-N168 WeakPolarHBondContact CB-ND2 3.31Å; D165-N168 WeakPolarHBondContact O-CB 3.45Å; D165-N168 PolarHBondContact O-N 3.22Å
166F39.6Very low35Very low139 Ų139124.7 Ų124.761%0.6168%0.676SS**Hα-helixtrans-55.7-25177.6-72-79.1000112.6M164 N168 F169 L170M164-F166 VanDerWaalsContact C-N 3.27Å; M164-F166 WeakPolarHBondContact O-CD2 3.44Å; M164-F166 PolarHBondContact O-N 2.77Å; F166-N168 VanDerWaalsContact C-N 3.31Å; F166-N168 PolarHBondContact O-N 3.18Å; F166-F169 PolarHBondContact O-N 3.04Å; F166-L170 WeakPolarHBondContact O-CG 3.48Å; F166-L170 PolarHBondContact O-N 3.19Å
167K38.2Very low35.5Very low182 Ų182126.2 Ų126.279%0.79168%0.675SS**Hα-helixtrans-61.1-32.4171.2-79.5176.1177.9165.80113.8D165D165-K167 PolarHBondContact O-N 3.01Å
168N31.7Very low35.1Very low110 Ų110127 Ų12759%0.58867%0.669SS**Hα-helixtrans-76.4-35.2176.8-70.7-29.1000111.8D165 F166 L170 S171D165-N168 HydrophobicContact CB-CB 4.37Å; D165-N168 WeakPolarHBondContact CB-ND2 3.31Å; D165-N168 WeakPolarHBondContact O-CB 3.45Å; D165-N168 PolarHBondContact O-N 3.22Å; F166-N168 VanDerWaalsContact C-N 3.31Å; F166-N168 PolarHBondContact O-N 3.18Å; N168-L170 VanDerWaalsContact C-N 3.32Å; N168-L170 PolarHBondContact O-N 3.32Å; N168-S171 PolarHBondContact O-N 2.74Å; N168-S171 PolarHBondContact O-OG 3.31Å
169F35.9Very low35.1Very low141 Ų141128 Ų12862%0.61868%0.675SS**Hα-helixtrans-69.6-28.2176.7-75.6-80.2000113.2F166 S171 H172F166-F169 PolarHBondContact O-N 3.04Å; F169-S171 PolarHBondContact O-N 2.78Å; F169-H172 PolarHBondContact O-N 3.07Å
170L34.7Very low35.4Very low139 Ų139129.5 Ų129.573%0.72868%0.676SS**THydrogen-bonded Turntrans-66.4-16.1177.1-74.8168.5000114.5F166 N168F166-L170 WeakPolarHBondContact O-CG 3.48Å; F166-L170 PolarHBondContact O-N 3.19Å; N168-L170 VanDerWaalsContact C-N 3.32Å; N168-L170 PolarHBondContact O-N 3.32Å
171S35.8Very low35.7Very low78 Ų78126.2 Ų126.255%0.54565%0.653SS.*THydrogen-bonded Turntrans-80.7-15.3-179.867.10000114.4N168 F169N168-S171 PolarHBondContact O-N 2.74Å; N168-S171 PolarHBondContact O-OG 3.31Å; F169-S171 PolarHBondContact O-N 2.78Å
172H32.6Very low36.4Very low153 Ų153126.3 Ų126.371%0.70866%0.66SS**SBendtrans-132.189.2-177.7-69.3-18.5000110.6F169 N174F169-H172 PolarHBondContact O-N 3.07Å; H172-N174 VanDerWaalsContact C-N 3.29Å; H172-N174 PolarHBondContact O-N 3.15Å
173P31.3Very low37.1Very low103 Ų103129.8 Ų129.867%0.66966%0.66SS**  trans-74.978.1-17631.7-36.2000111.8R175P173-R175 PolarHBondContact O-N 3.47Å; P173-R175 VanDerWaalsContact O-N 3.12Å
174N30.5Very low37.8Very low133 Ų133130.6 Ų130.671%0.71166%0.657SS**  trans-63.5107.4157.1-106.3-27.5000107.2H172 D176H172-N174 VanDerWaalsContact C-N 3.29Å; H172-N174 PolarHBondContact O-N 3.15Å; N174-D176 PolarHBondContact O-N 3.18Å
175R35Very low38.6Very low219 Ų219129 Ų12983%0.82665%0.651SS**G310 helixtrans-65.7-8.7-165.3-76.8-176.7163.3-163.9-7.2115.1P173P173-R175 PolarHBondContact O-N 3.47Å; P173-R175 VanDerWaalsContact O-N 3.12Å
176D40.6Very low39.4Very low147 Ų147129.6 Ų129.679%0.78665%0.654SS**G310 helixtrans-959.6-164.6-50.6-22.6000114.7N174N174-D176 PolarHBondContact O-N 3.18Å
177I40.1Very low39.5Very low125 Ų125130.4 Ų130.464%0.64165%0.653SS**G310 helixtrans-120.84.8-177.3-40.1-178.6000112.3
178Q34.9Very low39.8Very low160 Ų160130.3 Ų130.375%0.74865%0.647SS**THydrogen-bonded Turntrans-86.4136.5174.5-66.2-173.2-12.200110.7
179N35.9Very low41.1Very low169 Ų169129.1 Ų129.190%0.90465%0.648SS**THydrogen-bonded Turntrans62.351.4-175.5-69.6-4.7000116.8
180I40.8Very low41.7Very low105 Ų105128.7 Ų128.754%0.53865%0.651SS.*  trans-85.5101.2148.6-55177.3000107.5P182 D185I180-P182 WeakPolarHBondContact O-CD 3.45Å; I180-D185 HydrophobicContact CG2-CB 3.94Å
181D42.9Very low42.2Very low73 Ų73128.3 Ų128.339%0.3965%0.65SS.*  trans-72.1119.8164.6160.228.3000108.6Q183 L184 D185D181-Q183 PolarHBondContact O-N 3.4Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.4Å; D181-Q183 PolarHBondContact OD1-N 3.39Å; D181-L184 HydrophobicContact CB-CB 4.01Å; D181-L184 HydrophobicContact CB-CD1 4.38Å; D181-L184 PolarHBondContact O-N 3.25Å; D181-L184 VanDerWaalsContact O-N 3.17Å; D181-L184 WeakPolarHBondContact OD2-CB 3.46Å; D181-L184 PolarHBondContact OD2-N 3.25Å; D181-L184 VanDerWaalsContact OD2-N 3.13Å; D181-D185 PolarHBondContact O-N 2.91Å
182P46.8Very low42.3Very low101 Ų101126.2 Ų126.266%0.65664%0.635SS**Hα-helixtrans-57.6-29.9-179.9-24.334.4000113.8I180 L186I180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-L186 WeakPolarHBondContact O-CB 3.23Å; P182-L186 PolarHBondContact O-N 3.16Å
183Q46.9Very low42.5Very low131 Ų131122.7 Ų122.761%0.61263%0.627SS**Hα-helixtrans-77.1-34.8-179.2-16217312.300111.8D181 R187D181-Q183 PolarHBondContact O-N 3.4Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.4Å; D181-Q183 PolarHBondContact OD1-N 3.39Å; Q183-R187 WeakPolarHBondContact O-CB 3.45Å; Q183-R187 WeakPolarHBondContact O-CG 3.36Å; Q183-R187 PolarHBondContact O-N 3.06Å
184L49.1Very low43.4Very low105 Ų105122 Ų12255%0.5563%0.631SS.*Hα-helixtrans-68.5-39.3170-108.2165.5000112.8D181 R187 R188D181-L184 HydrophobicContact CB-CB 4.01Å; D181-L184 HydrophobicContact CB-CD1 4.38Å; D181-L184 PolarHBondContact O-N 3.25Å; D181-L184 VanDerWaalsContact O-N 3.17Å; D181-L184 WeakPolarHBondContact OD2-CB 3.46Å; D181-L184 PolarHBondContact OD2-N 3.25Å; D181-L184 VanDerWaalsContact OD2-N 3.13Å; L184-R187 PolarHBondContact O-N 2.87Å; L184-R188 PolarHBondContact O-N 3.12Å
185D52.9Low43.8Very low91 Ų91118.7 Ų118.749%0.48763%0.627SS.*Hα-helixtrans-70.3-41.5178.8-160.241.1000111.4I180 D181 R187 R188 S189I180-D185 HydrophobicContact CG2-CB 3.94Å; D181-D185 PolarHBondContact O-N 2.91Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 2.87Å; D185-R188 PolarHBondContact O-N 3.08Å; D185-S189 PolarHBondContact O-N 3.49Å
186L51.4Low43.6Very low118 Ų118114 Ų11462%0.61862%0.615SS**Hα-helixtrans-58.7-45170.1-133.886.3000111.3P182 S189 L190P182-L186 WeakPolarHBondContact O-CB 3.23Å; P182-L186 PolarHBondContact O-N 3.16Å; L186-S189 PolarHBondContact O-N 2.98Å; L186-L190 HydrophobicContact CD2-CD1 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.86Å
187R41.3Very low43.7Very low156 Ų156115.2 Ų115.259%0.58961%0.61SS**Hα-helixtrans-64.4-37.9176.9-82.8176.3159.1177.4-7112.6Q183 L184 D185 L190 N191Q183-R187 WeakPolarHBondContact O-CB 3.45Å; Q183-R187 WeakPolarHBondContact O-CG 3.36Å; Q183-R187 PolarHBondContact O-N 3.06Å; L184-R187 PolarHBondContact O-N 2.87Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 2.87Å; R187-L190 PolarHBondContact O-N 3.33Å; R187-N191 WeakPolarHBondContact O-CB 3.23Å; R187-N191 PolarHBondContact O-N 3.19Å
188R44.6Very low43.7Very low180 Ų180113.9 Ų113.968%0.67962%0.617SS**Hα-helixtrans-61.2-48.7171.4-86.1-178167.8-97.9-2.9111.2L184 D185 L190 N191 S192L184-R188 PolarHBondContact O-N 3.12Å; D185-R188 PolarHBondContact O-N 3.08Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.03Å; R188-N191 PolarHBondContact O-N 2.74Å; R188-S192 VanDerWaalsContact O-CB 3.28Å; R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 3.08Å; R188-S192 PolarHBondContact O-OG 3.08Å
189S58Low43.7Very low85 Ų85112.9 Ų112.959%0.59462%0.617SS**Hα-helixtrans-67.7-24.8-179.1-171.30000114.1D185 L186D185-S189 PolarHBondContact O-N 3.49Å; L186-S189 PolarHBondContact O-N 2.98Å
190L48.9Very low43.7Very low131 Ų131110.2 Ų110.269%0.68660%0.602SS**Hα-helixtrans-87.4-34.4176.4-70.4168.7000112.5L186 R187 R188L186-L190 HydrophobicContact CD2-CD1 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.86Å; R187-L190 PolarHBondContact O-N 3.33Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.03Å
191N46.2Very low43.3Very low132 Ų132112.1 Ų112.171%0.70661%0.609SS**Hα-helixtrans-91-14.4-176.7-63.9-4.2000113.5R187 R188 S193R187-N191 WeakPolarHBondContact O-CB 3.23Å; R187-N191 PolarHBondContact O-N 3.19Å; R188-N191 PolarHBondContact O-N 2.74Å; N191-S193 PolarHBondContact O-N 2.91Å; N191-S193 VanDerWaalsContact O-N 3.12Å
192S38Very low42.9Very low34 Ų34110.4 Ų110.424%0.23861%0.609CS.*SBendtrans-66.8109178.956.70000111.4R188R188-S192 VanDerWaalsContact O-CB 3.28Å; R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 3.08Å; R188-S192 PolarHBondContact O-OG 3.08Å
193S37.1Very low42.6Very low78 Ų78112.1 Ų112.155%0.54562%0.617SS.*  trans-62.7148.9179.878.10000112N191 G195 E196N191-S193 PolarHBondContact O-N 2.91Å; N191-S193 VanDerWaalsContact O-N 3.12Å; S193-G195 PolarHBondContact O-N 2.85Å; S193-E196 PolarHBondContact O-N 2.99Å; S193-E196 VanDerWaalsContact O-N 3.08Å
194A48.3Very low41.8Very low90 Ų90116.4 Ų116.474%0.74463%0.63SS**THydrogen-bonded Turntrans-64.72.2-169.600000116.3Y197A194-Y197 HydrophobicContact CB-CE2 4.29Å
195G39.2Very low40.8Very low62 Ų62114.1 Ų114.164%0.63963%0.626SS**THydrogen-bonded Turntrans-86.4-21.5171.100000115S193S193-G195 PolarHBondContact O-N 2.85Å
196E32Very low39.8Very low121 Ų121117.5 Ų117.557%0.56564%0.643SS**G310 helixtrans-90.1-0.9-168.2-63.7-165.4122.300115.1S193 A198 N199S193-E196 PolarHBondContact O-N 2.99Å; S193-E196 VanDerWaalsContact O-N 3.08Å; E196-A198 PolarHBondContact O-N 3.47Å; E196-N199 PolarHBondContact O-N 3.17Å; E196-N199 VanDerWaalsContact O-N 3.11Å
197Y42Very low38.7Very low172 Ų172121 Ų12168%0.67565%0.648SS**G310 helixtrans-56.5-9.5171.5-70.6-66.3000114.5A194 N199A194-Y197 HydrophobicContact CB-CE2 4.29Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 3.16Å
198A41.2Very low38.3Very low97 Ų97123.2 Ų123.280%0.80266%0.662SS**G310 helixtrans-67.6-22.7172.900000114.5E196E196-A198 PolarHBondContact O-N 3.47Å
199N33.4Very low37.6Very low140 Ų140121.1 Ų121.175%0.74966%0.66SS**THydrogen-bonded Turntrans-141.812.7-169.6-142.28.1000117.7E196 Y197 H201E196-N199 PolarHBondContact O-N 3.17Å; E196-N199 VanDerWaalsContact O-N 3.11Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 3.16Å; N199-H201 PolarHBondContact O-N 3.07Å
200L36.2Very low36.4Very low112 Ų112124.9 Ų124.959%0.58667%0.673SS**  trans-79.6102.1160.2-84.796.3000110.4G202L200-G202 PolarHBondContact O-N 3.14Å
201H32.4Very low35.6Very low145 Ų145125.4 Ų125.467%0.67168%0.677SS**  trans-71.153.3153.9-87.538.1000110.7N199N199-H201 PolarHBondContact O-N 3.07Å
202G35Very low34.9Very low38 Ų38125.6 Ų125.639%0.39269%0.688SS.*  trans-60.6149.5167.500000110L200 Y204 A205L200-G202 PolarHBondContact O-N 3.14Å; G202-Y204 PolarHBondContact O-N 2.68Å; G202-A205 WeakPolarHBondContact O-CB 3.48Å; G202-A205 PolarHBondContact O-N 2.67Å
203T40.6Very low34.6Very low137 Ų137126.9 Ų126.984%0.8471%0.707SS**THydrogen-bonded Turntrans-62.3-6.5-158.531.60000117.3
204Y30.6Very low34.4Very low221 Ų221133.3 Ų133.387%0.86773%0.725SS**THydrogen-bonded Turntrans-100.1-9.8173.8-57.8-75.5000114.1G202 L206G202-Y204 PolarHBondContact O-N 2.68Å; Y204-L206 PolarHBondContact O-N 3.09Å
205A28.5Very low33.7Very low57 Ų57135.7 Ų135.747%0.47173%0.725SS.*SBendtrans-71.796.6172.100000109.7G202 R207G202-A205 WeakPolarHBondContact O-CB 3.48Å; G202-A205 PolarHBondContact O-N 2.67Å; A205-R207 PolarHBondContact O-N 3.23Å
206L30.8Very low33.5Very low161 Ų161136.9 Ų136.984%0.84372%0.721SS**  trans-44101.6178.6-79165.5000111.8Y204 K208Y204-L206 PolarHBondContact O-N 3.09Å; L206-K208 PolarHBondContact O-N 3.41Å; L206-K208 VanDerWaalsContact O-N 3.11Å
207R28.7Very low33.9Very low191 Ų191137.5 Ų137.572%0.72173%0.727SS**  trans-54.4118-179.9-177-178.2-71.9173-3.7108.8A205 Q209A205-R207 PolarHBondContact O-N 3.23Å; R207-Q209 HydrophobicContact CG-CB 4.49Å; R207-Q209 PolarHBondContact O-N 3.48Å
208K32.8Very low33.6Very low204 Ų204138.7 Ų138.789%0.88773%0.731SS**  trans-69.368.8176.4-74.3-175.7178.3173.80111.3L206L206-K208 PolarHBondContact O-N 3.41Å; L206-K208 VanDerWaalsContact O-N 3.11Å
209Q30.6Very low33.4Very low136 Ų136139.4 Ų139.464%0.63672%0.718SS**  trans-93.8125.4174.1-166159.2-9.800109.1R207 N211R207-Q209 HydrophobicContact CG-CB 4.49Å; R207-Q209 PolarHBondContact O-N 3.48Å; Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-N211 PolarHBondContact O-N 3.16Å
210N31.4Very low34Very low163 Ų163137.3 Ų137.387%0.87271%0.71SS**  trans-74.377.3-167.3-68.6-49.5000113.1
211N32.7Very low34Very low143 Ų143140.4 Ų140.477%0.76572%0.719SS**  trans-101.1119.1164.2-76.5-16.6000109.6Q209 G213Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-N211 PolarHBondContact O-N 3.16Å; N211-G213 VanDerWaalsContact C-N 3.32Å; N211-G213 PolarHBondContact O-N 3.38Å
212S31.5Very low34.1Very low136 Ų136138 Ų13895%0.95171%0.711SS**SBendtrans-73.580.8-179.750.60000111.5
213G31.3Very low34Very low61 Ų61139.8 Ų139.863%0.62972%0.722SS**  trans-161.273-179.600000112.1N211 L215N211-G213 VanDerWaalsContact C-N 3.32Å; N211-G213 PolarHBondContact O-N 3.38Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 2.81Å
214K34.2Very low33.6Very low212 Ų212144.6 Ų144.692%0.92272%0.724SS**  trans-74.583.6175.2-71.4-175.7179.5179.70110.9P216K214-P216 WeakPolarHBondContact O-CD 3.41Å
215L32.5Very low34Very low141 Ų141140.2 Ų140.274%0.73872%0.721SS**  trans-90.4106.9160.1-68.1170.4000107.9G213 E219G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 2.81Å; L215-E219 WeakPolarHBondContact CD2-OE2 3.26Å
216P35.8Very low33.9Very low87 Ų87145.3 Ų145.357%0.56574%0.735SS**  trans-70.7142.9178.929.7-33.3000110.5K214 R218 E219K214-P216 WeakPolarHBondContact O-CD 3.41Å; P216-R218 PolarHBondContact O-N 3.05Å; P216-E219 PolarHBondContact O-N 2.91Å; P216-E219 VanDerWaalsContact O-N 3.17Å
217L40.5Very low33.8Very low133 Ų133147.3 Ų147.370%0.69674%0.74SS**THydrogen-bonded Turntrans-53.3-5.4-176-96.7148.3000116.9V220L217-V220 HydrophobicContact CD2-CG2 4.1Å
218R35.1Very low34Very low198 Ų198143.7 Ų143.775%0.74774%0.739SS**THydrogen-bonded Turntrans-65.5-38.5172.4-172.3170.3178.9150.91.4112.6P216 V220 F221 D222P216-R218 PolarHBondContact O-N 3.05Å; R218-V220 VanDerWaalsContact C-N 3.27Å; R218-V220 PolarHBondContact O-N 3.49Å; R218-F221 PolarHBondContact O-N 3.28Å; R218-D222 PolarHBondContact O-N 2.91Å
219E36.7Very low33.8Very low112 Ų112140.9 Ų140.952%0.52373%0.733SS.*Hα-helixtrans-70.9-19.7-178.1-79.3177.5135.300113.8L215 P216 F221 D222 A223L215-E219 WeakPolarHBondContact CD2-OE2 3.26Å; P216-E219 PolarHBondContact O-N 2.91Å; P216-E219 VanDerWaalsContact O-N 3.17Å; E219-F221 PolarHBondContact O-N 2.78Å; E219-D222 PolarHBondContact O-N 3.38Å; E219-A223 PolarHBondContact O-N 3.41Å
220V45.9Very low33.9Very low96 Ų96140.2 Ų140.258%0.58274%0.744SS**Hα-helixtrans-62-28.9176.6-177.40000111.7L217 R218L217-V220 HydrophobicContact CD2-CG2 4.1Å; R218-V220 VanDerWaalsContact C-N 3.27Å; R218-V220 PolarHBondContact O-N 3.49Å
221F37Very low33.8Very low177 Ų177136.3 Ų136.378%0.77673%0.734SS**Hα-helixtrans-98.7-23.2177.7-66.9-79.2000113.8R218 E219 A223R218-F221 PolarHBondContact O-N 3.28Å; E219-F221 PolarHBondContact O-N 2.78Å; F221-A223 PolarHBondContact O-N 3.27Å
222D34.5Very low33.6Very low94 Ų94138 Ų13850%0.50374%0.739SS.*Hα-helixtrans-78.5-0.6173.1-78.2-41.8000113.1R218 E219 R224 T225R218-D222 PolarHBondContact O-N 2.91Å; E219-D222 PolarHBondContact O-N 3.38Å; D222-R224 PolarHBondContact O-N 3.22Å; D222-T225 PolarHBondContact O-N 2.87Å; D222-T225 PolarHBondContact O-OG1 3.16Å
223A32.1Very low33.4Very low75 Ų75141.8 Ų141.862%0.6274%0.735SS**THydrogen-bonded Turntrans-63.622.9178.100000116.4E219 F221E219-A223 PolarHBondContact O-N 3.41Å; F221-A223 PolarHBondContact O-N 3.27Å
224R33.2Very low33.3Very low239 Ų239144.6 Ų144.690%0.90274%0.743SS**THydrogen-bonded Turntrans-96.10.6169.9-71.9-168.7178.4-1691.7114.1D222D222-R224 PolarHBondContact O-N 3.22Å
225T38.3Very low33.1Very low128 Ų128143.3 Ų143.379%0.78574%0.74SS**SBendtrans-124.98.9-173.154.70000115.2D222D222-T225 PolarHBondContact O-N 2.87Å; D222-T225 PolarHBondContact O-OG1 3.16Å
226Q26.3Very low33.2Very low165 Ų165145 Ų14577%0.77174%0.742SS**  trans-112.176.6176.1-152.6170.134.300111.8V228Q226-V228 HydrophobicContact CG-CG2 4.01Å; Q226-V228 PolarHBondContact O-N 3.24Å; Q226-V228 VanDerWaalsContact O-N 3.14Å
227E28.6Very low32.9Very low202 Ų202146.5 Ų146.594%0.94475%0.751SS**  trans-62.4108.2159.6-69.2-176.6130.700108.4
228V34.2Very low32.6Very low115 Ų115149.6 Ų149.670%0.69776%0.759SS**  trans-99.9130168.3-1790000108.4Q226 S230Q226-V228 HydrophobicContact CG-CG2 4.01Å; Q226-V228 PolarHBondContact O-N 3.24Å; Q226-V228 VanDerWaalsContact O-N 3.14Å; V228-S230 PolarHBondContact O-N 3.39Å
229D27.1Very low32.4Very low145 Ų145145.9 Ų145.978%0.77576%0.761SS**  trans-42.7121.6-174.3-104.3-58.8000114.7
230S34.1Very low32.3Very low122 Ų122146 Ų14685%0.85377%0.771SS**  trans-140.263.4158.8-76.50000108.4V228 M232V228-S230 PolarHBondContact O-N 3.39Å; S230-M232 PolarHBondContact O-N 2.82Å
231A28.6Very low31.6Very low81 Ų81151 Ų15167%0.66979%0.786SS**  trans-65.7111-171.300000113.5
232M29.2Very low31.5Very low178 Ų178148.5 Ų148.588%0.87779%0.79SS**  trans-145.782159.5-93.7-64.2178.400111S230S230-M232 PolarHBondContact O-N 2.82Å
233Y26.6Very low31.2Very low217 Ų217153 Ų15385%0.85181%0.808SS**  trans23.5115.9154.7-95.9-100.7000120.1
234C29.2Very low31.2Very low119 Ų119153.4 Ų153.480%0.80481%0.811SS**  -166.673.1118.8-99.60000111.7K236C234-K236 PolarHBondContact O-N 2.9Å; C234-K236 VanDerWaalsContact O-N 3.1Å
235E30.4Very low31.2Very low186 Ų186147.7 Ų147.787%0.86980%0.803SS**  trans-63.8109.4170.4-173.1-178.8-159.900110.1
236K33.2Very low30.9Very low177 Ų177152.6 Ų152.677%0.7781%0.809SS**PPolyproline II helixtrans-79.7121.3171.3-71.9-176.9-179.7176.10108.7C234 K238C234-K236 PolarHBondContact O-N 2.9Å; C234-K236 VanDerWaalsContact O-N 3.1Å; K236-K238 PolarHBondContact O-N 3.33Å
237P31.1Very low31.2Very low118 Ų118149.8 Ų149.877%0.76681%0.807SS**PPolyproline II helixtrans-65.2127.1-174.225.5-34.2000111.2
238K33Very low31.1Very low198 Ų198143.9 Ų143.986%0.86180%0.801SS**PPolyproline II helixtrans-63.5137.1167.5-84.3172.5176.1164.90109.4K236K236-K238 PolarHBondContact O-N 3.33Å
239P32.3Very low30.9Very low119 Ų119145.8 Ų145.877%0.77381%0.806SS**PPolyproline II helixtrans-66.2131.6178.727-33.8000110.5
240P32.5Very low31.1Very low116 Ų116144.4 Ų144.475%0.75381%0.805SS**PPolyproline II helixtrans-75.8132.1176.530.4-33.5000111.1
241F31.8Very low30.9Very low200 Ų200147.4 Ų147.488%0.87781%0.805SS**  trans56.1114.7170.3-71.5-92.4000118.6
242S35.9Very low31.1Very low124 Ų124151.7 Ų151.787%0.86782%0.816SS**  -164.2140.7114.2-82.60000111.3
243Q28.3Very low31.2Very low189 Ų189152.1 Ų152.188%0.88382%0.816SS**  trans-91.4114.5175.1-74.7177-34.200110.6V245Q243-V245 HydrophobicContact CB-CG2 4.14Å
244A31.9Very low31.3Very low83 Ų83153.6 Ų153.669%0.68682%0.82SS**  trans-143.2106.5158.300000105.9
245V31.7Very low31.4Very low120 Ų120153.3 Ų153.373%0.72782%0.819SS**  cis58.642.432.3-155.20000112.1Q243 S247Q243-V245 HydrophobicContact CB-CG2 4.14Å; V245-S247 PolarHBondContact O-N 2.96Å
246Y33.7Very low31.4Very low231 Ų231153.8 Ų153.891%0.90682%0.821SS**  trans-82.397.2146.9-99.9-88.6000108.8G248Y246-G248 PolarHBondContact O-N 3.47Å
247S31.6Very low31.3Very low106 Ų106156.7 Ų156.774%0.74183%0.827SS**  trans-75.5104.5178.351.70000111V245V245-S247 PolarHBondContact O-N 2.96Å
248G26.7Very low31.1Very low78 Ų78157.1 Ų157.180%0.80483%0.83SS**  trans-105.97.4173.800000115Y246Y246-G248 PolarHBondContact O-N 3.47Å
249L30.5Very low30.8Very low155 Ų155152.2 Ų152.281%0.81283%0.827SS**SBendtrans-131.7141.5-177.7-78.5165.8000110.8
250P31.4Very low30.8Very low115 Ų115153.2 Ų153.275%0.74783%0.831SS**  trans-67.614217728.6-34.3000111.4L252P250-L252 PolarHBondContact O-N 3.36Å
251Q29.6Very low31Very low186 Ų186152.7 Ų152.787%0.86983%0.827SS**  trans-70.6111.7-179.5-67.5-178.8-5.200111.3
252L32.9Very low30.8Very low170 Ų170149.7 Ų149.789%0.8982%0.82SS**  trans-71.6128.9162.5-67.9175.6000109.3P250 R254P250-L252 PolarHBondContact O-N 3.36Å; L252-R254 PolarHBondContact O-N 3.26Å
253H30Very low30.7Very low188 Ų188151.3 Ų151.387%0.8782%0.819SS**  trans-64.4122.1-172.2-83.3-96000112.6S255H253-S255 PolarHBondContact O-N 3.41Å
254R29.9Very low30.6Very low248 Ų248149.5 Ų149.594%0.93682%0.815SS**  trans-75.599179.7-171.7-179.7-169.2167.54.1111.1L252L252-R254 PolarHBondContact O-N 3.26Å
255S31.9Very low30.7Very low113 Ų113152.5 Ų152.579%0.7983%0.825SS**  trans-74.2148.2170.754.70000111.9H253H253-S255 PolarHBondContact O-N 3.41Å
256Q29Very low30.7Very low195 Ų195151.9 Ų151.991%0.91183%0.826SS**  trans-75.1140.1-162.9-61159.9-6.900114
257R32.2Very low31.5Very low238 Ų238146.5 Ų146.590%0.89882%0.82SS**  trans-146.6137.8144.1-147.2161.5-169.6-171.72108.9
258P27.1Very low31.7Very low128 Ų128148.6 Ų148.683%0.83182%0.822SS**  trans-82.4173.3-163.132.5-37.2000114.6
259A26.1Very low31.8Very low95 Ų95151.5 Ų151.579%0.78582%0.818SS**  trans-114.5157.2-168.700000114.5
260T33.2Very low32Very low140 Ų140148.7 Ų148.786%0.85981%0.812SS**  trans-140.4156.7166.838.30000109.7
261P35.5Very low31.9Very low105 Ų105150 Ų15068%0.68281%0.812SS**  trans-131.2171.7-135.542.9-29.9000118.1
262N28.6Very low32Very low136 Ų136152.9 Ų152.973%0.72782%0.815SS**  trans64.7130.5155.7-62.7-7.2000118.5
263N32.4Very low31.6Very low159 Ų159153.9 Ų153.985%0.8581%0.812SS**  -155.9163.270.7-95.1-37.1000114.5
264N27.6Very low31.8Very low150 Ų150152.8 Ų152.880%0.80281%0.811SS**  trans-113.2143.4178.4-65.5-46.8000112.2
265V33.2Very low31.7Very low147 Ų147146.4 Ų146.489%0.89180%0.804SS**  trans-140155.1157.4-175.50000108.3
266S30.8Very low31.8Very low107 Ų107147 Ų14775%0.74881%0.808SS**  trans-147.4173.8-169.4-62.60000111.3
267P52Low31.8Very low118 Ų118146.5 Ų146.577%0.76680%0.803SS**  trans-110.4176.7-143.242.2-38.6000117.2
268N35.1Very low32.1Very low149 Ų149139.8 Ų139.880%0.79779%0.79SS**  trans-157.7112.7172.2-154.412000107.3
269I29.3Very low32.2Very low139 Ų139140.1 Ų140.171%0.71379%0.785SS**  69.9109.556.4-52.9171.8000113.9
270S34.2Very low32.3Very low97 Ų97142.3 Ų142.368%0.67878%0.784SS**  trans168.3110.2133.4176.10000117
271N28.4Very low32.1Very low141 Ų141141.2 Ų141.275%0.75478%0.782SS**  trans37.1127.6132.4-47-71.8000123.8
272R33.2Very low31.8Very low247 Ų247144.1 Ų144.193%0.93279%0.791SS**  -163160109-149.5161.1-69.5-166.4-0.4113.1
273K23.6Very low31.9Very low192 Ų192145.7 Ų145.784%0.83580%0.798SS**  trans-121.1136.6-179.9-59.9175.1179.51770113
274I34.4Very low31.6Very low165 Ų165144.1 Ų144.185%0.84679%0.794SS**  trans-156.6129.7148-51.6-177.7000105.8
275S27.4Very low32.4Very low114 Ų114143 Ų14380%0.79780%0.795SS**  cis94.486.6-3.3-153.10000118.5
276S33.9Very low32Very low124 Ų124139.4 Ų139.487%0.86779%0.788SS**  trans-146.3140.7163.655.20000113.5
277K30.1Very low32Very low185 Ų185138.6 Ų138.680%0.80479%0.787SS**  trans-153.5161.2176-124.2-165.6179.8-155.40105.6
278P38.3Very low30.9Very low97 Ų97139.8 Ų139.863%0.6379%0.793SS**  -158.5-161.170.441.1-17.7000115.6
279N29.3Very low30.5Very low135 Ų135137.9 Ų137.972%0.72279%0.791SS**  trans72.6111.5167.4-51.6-14000114.3
280D26.8Very low30.4Very low141 Ų141135.7 Ų135.775%0.75479%0.788SS**  cis72.9106.430.2-50.5-51000114.7
281S30.9Very low30.3Very low118 Ų118137 Ų13783%0.82579%0.794SS**  trans-146.8126165.5-178.80000108
282L28.4Very low30.3Very low166 Ų166140.2 Ų140.287%0.86980%0.798SS**  trans-100130.4-176.1-72.7160.5000110.2
283L30.8Very low30Very low168 Ų168137.4 Ų137.488%0.8880%0.795SS**  trans-153.8128.8165.4-111.8165.5000112.3
284V26.5Very low30.1Very low126 Ų126138.3 Ų138.376%0.76480%0.799SS**  trans-160.8148.7-172.8177.10000106.6
285P44.3Very low29.9Very low127 Ų127134.6 Ų134.683%0.82579%0.793SS**  cis-121.7-177.9-2137.8-22.9000112.8
286G25.3Very low29.9Very low72 Ų72135 Ų13574%0.74280%0.795SS**  trans-169136.4163.700000114.1
287A30.7Very low29.6Very low89 Ų89132 Ų13274%0.73679%0.785SS**  trans39.497.2171.200000117.3
288T28.7Very low29.6Very low143 Ų143132.3 Ų132.388%0.87779%0.789SS**  63.768.15182.80000116.8
289S26.5Very low29.4Very low110 Ų110137.1 Ų137.177%0.76980%0.8SS**  trans-150.756158.252.90000113P291S289-P291 WeakPolarHBondContact O-CD 3.41Å
290S27Very low29.6Very low93 Ų93138.6 Ų138.665%0.6580%0.802SS**  trans-66125.5168.1178.60000110.3Y292S290-Y292 PolarHBondContact O-N 2.99Å
291P31.9Very low29.8Very low124 Ų124136.7 Ų136.781%0.80580%0.8SS**  trans-72.693.7168.830-32.1000108.8S289S289-P291 WeakPolarHBondContact O-CD 3.41Å
292Y27.4Very low30.2Very low209 Ų209137 Ų13782%0.8280%0.797SS**  trans-55.7144.7177.5-110.3-94.6000111.9S290 K294S290-Y292 PolarHBondContact O-N 2.99Å; Y292-K294 PolarHBondContact O-N 3.38Å
293Q27Very low30.5Very low188 Ų188136.1 Ų136.188%0.87979%0.792SS**  trans-53.9134.6-179-64163.3-38.700112.2
294K26.6Very low30.6Very low210 Ų210133.7 Ų133.791%0.91379%0.789SS**  trans-125.1144.1151.2-84.7-169.3172.8-178.40109.7Y292Y292-K294 PolarHBondContact O-N 3.38Å
295A29.6Very low31.4Very low87 Ų87136.5 Ų136.572%0.71979%0.786SS**  trans-79.5157.3-159.500000114.6G297A295-G297 PolarHBondContact O-N 2.85Å; A295-G297 VanDerWaalsContact O-N 3.17Å
296S27.4Very low31.4Very low122 Ų122137.6 Ų137.685%0.85379%0.79SS**  trans4259.4143.765.10000117.3
297G28.7Very low32.5Very low63 Ų63139.6 Ų139.665%0.64978%0.776SS**  trans-83.8107.8159.100000110.2A295 K299A295-G297 PolarHBondContact O-N 2.85Å; A295-G297 VanDerWaalsContact O-N 3.17Å; G297-K299 PolarHBondContact O-N 2.89Å; G297-K299 VanDerWaalsContact O-N 3.16Å
298Q29Very low33.6Very low190 Ų190137.9 Ų137.989%0.88876%0.759SS**  trans-54.9120.5163.9-78.6-177.8-36.900108.6
299K35.5Very low35.6Very low198 Ų198138.9 Ų138.986%0.86175%0.751SS**  trans-123.9122.2170.7-71.4-169.6175.8-176.60108.6G297G297-K299 PolarHBondContact O-N 2.89Å; G297-K299 VanDerWaalsContact O-N 3.16Å
300H31.6Very low37.6Very low167 Ų167139.9 Ų139.977%0.77374%0.744SS**  trans-62.2153.6-171.5-63.7-97.3000112.1V302H300-V302 WeakPolarHBondContact O-CG2 3.27Å; H300-V302 PolarHBondContact O-N 3.33Å
301S31.9Very low39.6Very low101 Ų101140 Ų14071%0.70673%0.734SS**  trans-58.9109.3167.5-179.80000110.1L303S301-L303 VanDerWaalsContact C-N 3.26Å; S301-L303 PolarHBondContact O-N 3.47Å; S301-L303 VanDerWaalsContact O-N 3.14Å
302V38.6Very low41.4Very low124 Ų124138.7 Ų138.775%0.75272%0.719SS**  trans-89.265.9178.2-169.50000109.6H300H300-V302 WeakPolarHBondContact O-CG2 3.27Å; H300-V302 PolarHBondContact O-N 3.33Å
303L35.7Very low43.5Very low147 Ų147132 Ų13277%0.7770%0.697SS**  trans-116.166.5174.1-90165.3000110.3S301S301-L303 VanDerWaalsContact C-N 3.26Å; S301-L303 PolarHBondContact O-N 3.47Å; S301-L303 VanDerWaalsContact O-N 3.14Å
304S31.7Very low45.3Very low117 Ų117128.2 Ų128.282%0.81868%0.682SS**  trans-178.679.3161.1-84.30000111.7
305R44.1Very low47Very low186 Ų186123.3 Ų123.370%0.70267%0.665SS**  trans-141105.3158.1-74.6-168.8177.9172-1.1109.5Y307R305-Y307 HydrophobicContact CB-CD2 4.12Å; R305-Y307 HydrophobicContact CB-CE2 3.54Å; R305-Y307 WeakPolarHBondContact CD-OH 3.43Å; R305-Y307 WeakPolarHBondContact O-CD2 3.4Å; R305-Y307 PolarHBondContact O-N 3.28Å
306T44.8Very low48.4Very low149 Ų149126.6 Ų126.691%0.91466%0.663SS**  trans-78.6100.8170.748.80000108.8
307Y47.3Very low49.5Very low114 Ų114127.3 Ų127.345%0.44765%0.653SS.*  trans-79.5149.6171.7-70.6-85.3000110.3R305 Q311R305-Y307 HydrophobicContact CB-CD2 4.12Å; R305-Y307 HydrophobicContact CB-CE2 3.54Å; R305-Y307 WeakPolarHBondContact CD-OH 3.43Å; R305-Y307 WeakPolarHBondContact O-CD2 3.4Å; R305-Y307 PolarHBondContact O-N 3.28Å; Y307-Q311 HydrophobicContact CD1-CB 4.27Å
308S55.3Low50.4Low54 Ų54127.9 Ų127.938%0.37865%0.652SS.*  trans-66.5155.4168.3-165.90000109.9E310 Q311 M312S308-E310 VanDerWaalsContact C-N 3.26Å; S308-E310 WeakPolarHBondContact CB-OE1 3.21Å; S308-E310 PolarHBondContact O-N 3.02Å; S308-E310 PolarHBondContact OG-OE1 2.79Å; S308-Q311 WeakPolarHBondContact O-CB 3.38Å; S308-Q311 PolarHBondContact O-N 2.98Å; S308-M312 PolarHBondContact O-N 3.1Å
309K69.2Low51.1Low163 Ų163125.6 Ų125.671%0.70965%0.646SS**Hα-helixtrans-54.5-45-179.9-173.1-175.6172.6-170.70111.4Q311 M312 D313K309-Q311 PolarHBondContact O-N 3.41Å; K309-Q311 VanDerWaalsContact O-N 3.14Å; K309-M312 WeakPolarHBondContact O-CB 3.28Å; K309-M312 PolarHBondContact O-N 2.98Å; K309-D313 PolarHBondContact O-N 2.84Å
310E69Low51Low131 Ų131122.1 Ų122.161%0.61264%0.636SS**Hα-helixtrans-54.9-34.5177.5-53.5134.6-83.400112.8S308 D313 L314S308-E310 VanDerWaalsContact C-N 3.26Å; S308-E310 WeakPolarHBondContact CB-OE1 3.21Å; S308-E310 PolarHBondContact O-N 3.02Å; S308-E310 PolarHBondContact OG-OE1 2.79Å; E310-D313 PolarHBondContact O-N 3Å; E310-L314 WeakPolarHBondContact O-CB 3.41Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.85Å
311Q69.1Low50.9Low95 Ų95124.4 Ų124.444%0.44464%0.64SS.*Hα-helixtrans-77.4-24.2-179.1-61.2175.7-38.200112.3Y307 S308 K309 L315Y307-Q311 HydrophobicContact CD1-CB 4.27Å; S308-Q311 WeakPolarHBondContact O-CB 3.38Å; S308-Q311 PolarHBondContact O-N 2.98Å; K309-Q311 PolarHBondContact O-N 3.41Å; K309-Q311 VanDerWaalsContact O-N 3.14Å; Q311-L315 WeakPolarHBondContact O-CD1 3.43Å; Q311-L315 VanDerWaalsContact O-CG 3.28Å; Q311-L315 WeakPolarHBondContact O-CG 3.39Å; Q311-L315 PolarHBondContact O-N 3.36Å
312M70.2Confident51.7Low98 Ų98124.6 Ų124.648%0.48364%0.638SS.*Hα-helixtrans-76.4-34.8171.5-71.3-62.2-55.500111.8S308 K309 K316S308-M312 PolarHBondContact O-N 3.1Å; K309-M312 WeakPolarHBondContact O-CB 3.28Å; K309-M312 PolarHBondContact O-N 2.98Å; M312-K316 PolarHBondContact O-N 3.11Å
313D70.3Confident51.5Low69 Ų69127 Ų12737%0.36965%0.646SS.*Hα-helixtrans-73.8-44.6179.6-63.1-34000110.7K309 E310 L315 K316 E317K309-D313 PolarHBondContact O-N 2.84Å; E310-D313 PolarHBondContact O-N 3Å; D313-L315 PolarHBondContact O-N 2.74Å; D313-K316 WeakPolarHBondContact O-CB 3.41Å; D313-K316 PolarHBondContact O-N 3.4Å; D313-E317 PolarHBondContact O-N 2.78Å; D313-E317 VanDerWaalsContact O-N 3.15Å
314L64.8Low51Low108 Ų108126.6 Ų126.657%0.56565%0.645SS**Hα-helixtrans-57.8-32.1171.5-75.3168.6000113.7E310 K316 A318E310-L314 WeakPolarHBondContact O-CB 3.41Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.85Å; L314-K316 VanDerWaalsContact C-N 3.27Å; L314-K316 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-CB 3.27Å; L314-A318 WeakPolarHBondContact O-CB 3.44Å; L314-A318 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-N 3.1Å
315L62.3Low50.8Low107 Ų107129.6 Ų129.656%0.5665%0.646SS**Hα-helixtrans-75.5-12.5175.9-78.8172.2000113.7Q311 D313Q311-L315 WeakPolarHBondContact O-CD1 3.43Å; Q311-L315 VanDerWaalsContact O-CG 3.28Å; Q311-L315 WeakPolarHBondContact O-CG 3.39Å; Q311-L315 PolarHBondContact O-N 3.36Å; D313-L315 PolarHBondContact O-N 2.74Å
316K59Low50.1Low156 Ų156126 Ų12668%0.67865%0.649SS**Hα-helixtrans-87.7-45.6168.9-70.4178.8176.1177.50111.4M312 D313 L314 A318M312-K316 PolarHBondContact O-N 3.11Å; D313-K316 WeakPolarHBondContact O-CB 3.41Å; D313-K316 PolarHBondContact O-N 3.4Å; L314-K316 VanDerWaalsContact C-N 3.27Å; L314-K316 PolarHBondContact O-N 3.01Å; K316-A318 VanDerWaalsContact C-N 3.26Å; K316-A318 PolarHBondContact O-N 3.07Å
317E50.8Low49.3Very low136 Ų136126.7 Ų126.764%0.63665%0.646SS**Hα-helixtrans-63.3-30.2178.2-65.4-177.1146.100112.7D313 N319 D320D313-E317 PolarHBondContact O-N 2.78Å; D313-E317 VanDerWaalsContact O-N 3.15Å; E317-N319 PolarHBondContact O-N 2.91Å; E317-D320 PolarHBondContact O-N 3.01Å
318A49.1Very low48.5Very low75 Ų75126.5 Ų126.562%0.6266%0.659SS**THydrogen-bonded Turntrans-71.319.7-179.300000116.1L314 K316L314-A318 VanDerWaalsContact O-CB 3.27Å; L314-A318 WeakPolarHBondContact O-CB 3.44Å; L314-A318 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-N 3.1Å; K316-A318 VanDerWaalsContact C-N 3.26Å; K316-A318 PolarHBondContact O-N 3.07Å
319N42.1Very low47.1Very low143 Ų143133.8 Ų133.877%0.76568%0.683SS**THydrogen-bonded Turntrans-112.211.3171.8-75.5-84.5000113.9E317E317-N319 PolarHBondContact O-N 2.91Å
320D33.7Very low45.2Very low124 Ų124131.8 Ų131.866%0.66369%0.685SS**  trans-86.1160.4167.8-84.1-50.4000113.4E317E317-D320 PolarHBondContact O-N 3.01Å
321Y30.1Very low43.6Very low216 Ų216130.7 Ų130.785%0.84769%0.688SS**  trans79.2145.1174-58.8-78.7000118.2
322P48.8Very low41.8Very low104 Ų104129.8 Ų129.868%0.67570%0.697SS**  -137.8153.7-64.632.5-14.3000113.2
323L34.5Very low39.9Very low176 Ų176132.7 Ų132.792%0.92171%0.714SS**  trans-148.5148.5156.9-142.382.3000112.1
324N25.8Very low38.2Very low138 Ų138137.9 Ų137.974%0.73874%0.741SS**  trans-93.7160.1-168.7-65-45.9000114
325E26.2Very low36.6Very low180 Ų180137.4 Ų137.484%0.84175%0.746SS**  trans67.7144.5152.5-74.1179.4118.500121.3
326S29.4Very low35.1Very low110 Ų110143.5 Ų143.577%0.76976%0.762SS**  trans66.5116.2171.773.80000117.5P328S326-P328 VanDerWaalsContact O-CD 3.23Å; S326-P328 WeakPolarHBondContact O-CD 3.46Å
327I28.4Very low33.6Very low164 Ų164139.8 Ų139.884%0.84176%0.756SS**  trans-74.2115.6177.8-62.1163.1000110.3K329I327-K329 PolarHBondContact O-N 3.25Å
328P30Very low32.6Very low110 Ų110141 Ų14171%0.71476%0.761SS**  trans-84.997.6173.1-1.221.7000109.4S326 V330S326-P328 VanDerWaalsContact O-CD 3.23Å; S326-P328 WeakPolarHBondContact O-CD 3.46Å; P328-V330 PolarHBondContact O-N 2.95Å
329K25.7Very low31.5Very low207 Ų207141.2 Ų141.290%0.976%0.763SS**  trans-75.782.6-177.7-168.4172.4-176.1172.40111.8I327I327-K329 PolarHBondContact O-N 3.25Å
330V31Very low30.9Very low121 Ų121143 Ų14373%0.73377%0.772SS**  trans-116.7136-179.2-176.10000110.1P328P328-V330 PolarHBondContact O-N 2.95Å
331P35.3Very low30.6Very low107 Ų107143.4 Ų143.470%0.69578%0.779SS**  trans-90.6169.4-15735.6-38.4000116.1L333P331-L333 PolarHBondContact O-N 3.27Å; P331-L333 VanDerWaalsContact O-N 3.14Å
332A29.6Very low30.4Very low76 Ų76137.2 Ų137.263%0.62877%0.772SS**  trans-53.3108.4-177.600000114.5L334 S335A332-L334 PolarHBondContact O-N 3.45Å; A332-S335 PolarHBondContact O-N 3.13Å
333L31.9Very low29.4Very low160 Ų160137.9 Ų137.984%0.83878%0.779SS**THydrogen-bonded Turntrans-73.7-2.7-177.4-75.6172.8000115.5P331P331-L333 PolarHBondContact O-N 3.27Å; P331-L333 VanDerWaalsContact O-N 3.14Å
334L33.7Very low29.1Very low177 Ų177136.6 Ų136.693%0.92777%0.773SS**THydrogen-bonded Turntrans-111.58.3175.1-75.1171.4000114.6A332 R336A332-L334 PolarHBondContact O-N 3.45Å; L334-R336 PolarHBondContact O-N 3.23Å
335S32.3Very low29.4Very low98 Ų98135.5 Ų135.569%0.68577%0.773SS**  trans-77.412.6162-57.40000113A332 S337A332-S335 PolarHBondContact O-N 3.13Å; S335-S337 PolarHBondContact O-N 3.35Å
336R31.1Very low29.7Very low236 Ų236134.5 Ų134.589%0.89177%0.77SS**  trans-90.278.5177.6-154.6175.7-165.5-166.32.6110.6L334L334-R336 PolarHBondContact O-N 3.23Å
337S27Very low29.7Very low78 Ų78133.7 Ų133.755%0.54576%0.764SS.*  trans-68.1171.7-177.545.20000114.9S335S335-S337 PolarHBondContact O-N 3.35Å
338H29.8Very low30.1Very low161 Ų161133.2 Ų133.275%0.74576%0.764SS**  trans106.497.6159.1-50.7-60.7000118.5
339A25.1Very low30.1Very low80 Ų80134.4 Ų134.466%0.66176%0.764SS**  trans55.479.3133.100000119T341A339-T341 VanDerWaalsContact C-N 3.33Å
340L29.5Very low30.8Very low180 Ų180133.9 Ų133.994%0.94276%0.764SS**  trans-9755.8152-66.5-179.2000110.8
341T28Very low30.9Very low133 Ų133130.9 Ų130.982%0.81676%0.758SS**  trans-121.747176.157.10000110.9A339A339-T341 VanDerWaalsContact C-N 3.33Å
342A26.1Very low31.1Very low85 Ų85134 Ų13470%0.70277%0.769SS**SBendtrans-150.994.7175.500000110.8
343S26.3Very low31.8Very low118 Ų118137 Ų13783%0.82577%0.773SS**  trans16.8106.8153.558.50000119.4
344L29.1Very low32Very low150 Ų150132.3 Ų132.379%0.78575%0.749SS**  trans-153.4125.6134.5-104.3175.1000108.1M346L344-M346 PolarHBondContact O-N 2.81Å; L344-M346 VanDerWaalsContact O-N 3.09Å
345P31.2Very low32.6Very low114 Ų114129.3 Ų129.374%0.7474%0.738SS**  trans-72.2102168.829.5-31.1000108.3S347P345-S347 VanDerWaalsContact C-N 3.34Å; P345-S347 PolarHBondContact O-N 3.15Å
346M33.9Very low33.3Very low160 Ų160129.8 Ų129.879%0.78874%0.736SS**  trans-70.495.6165.9-75.6-60.6-60.600108.1L344 D348L344-M346 PolarHBondContact O-N 2.81Å; L344-M346 VanDerWaalsContact O-N 3.09Å; M346-D348 PolarHBondContact O-N 2.91Å
347S28.6Very low33.4Very low92 Ų92127.5 Ų127.564%0.64373%0.728SS**  trans-70.490.7171.3-58.60000109.8P345 N349P345-S347 VanDerWaalsContact C-N 3.34Å; P345-S347 PolarHBondContact O-N 3.15Å; S347-N349 VanDerWaalsContact C-N 3.26Å; S347-N349 PolarHBondContact O-N 3.32Å
348D36.5Very low33.7Very low155 Ų155128.1 Ų128.183%0.82973%0.732SS**  trans-65.295.1155.3-86-23.9000107.8M346M346-D348 PolarHBondContact O-N 2.91Å
349N31.3Very low34.2Very low134 Ų134127.3 Ų127.372%0.71773%0.732SS**  trans-60.3168.3156.8-74.7-29.7000109.5S347S347-N349 VanDerWaalsContact C-N 3.26Å; S347-N349 PolarHBondContact O-N 3.32Å
350E39.5Very low34.7Very low196 Ų196130.9 Ų130.992%0.91674%0.741SS**SBendtrans7350.2-175.8-48.1-59.3139.800114.4
351G33.3Very low34.9Very low58 Ų58129.6 Ų129.660%0.59873%0.733SS**  trans-140.1-11.1178.700000117.5I353G351-I353 VanDerWaalsContact C-N 3.29Å; G351-I353 PolarHBondContact O-N 3.41Å
352D39.6Very low35.2Very low174 Ų174127.9 Ų127.993%0.9373%0.726SS**  trans-72.981.5177.4-96.3-27.2000110.9D354D352-D354 PolarHBondContact O-N 3.44Å
353I44Very low35.4Very low138 Ų138129.9 Ų129.971%0.70874%0.735SS**  trans-71.986171.3-59.4171.1000107.6G351 V355G351-I353 VanDerWaalsContact C-N 3.29Å; G351-I353 PolarHBondContact O-N 3.41Å; I353-V355 VanDerWaalsContact C-N 3.28Å; I353-V355 VanDerWaalsContact O-CG2 3.26Å; I353-V355 WeakPolarHBondContact O-CG2 3.41Å; I353-V355 PolarHBondContact O-N 2.86Å
354D36.1Very low35.6Very low61 Ų61127 Ų12733%0.32672%0.724SS.*  trans-61.587.8171.8-175.9-6.5000109.6D352 T356 R357D352-D354 PolarHBondContact O-N 3.44Å; D354-T356 PolarHBondContact O-N 3.05Å; D354-T356 WeakPolarHBondContact OD1-CB 3.41Å; D354-T356 PolarHBondContact OD1-N 3.25Å; D354-T356 PolarHBondContact OD1-OG1 3.06Å; D354-R357 HydrophobicContact CB-CG 4.44Å; D354-R357 PolarHBondContact O-N 2.91Å; D354-R357 IonicContact OD2-CZ 3.88Å; D354-R357 VanDerWaalsContact OD2-CZ 3.29Å; D354-R357 IonicContact OD2-NE 2.95Å; D354-R357 PolarHBondContact OD2-NE 3.22Å; D354-R357 IonicContact OD2-NH2 3.29Å; D354-R357 PolarHBondContact OD2-NH2 2.9Å
355V46.7Very low36Very low115 Ų115125.6 Ų125.670%0.69772%0.721SS**THydrogen-bonded Turntrans-56.8-17.7-173.6-167.60000112.1I353 R357I353-V355 VanDerWaalsContact C-N 3.28Å; I353-V355 VanDerWaalsContact O-CG2 3.26Å; I353-V355 WeakPolarHBondContact O-CG2 3.41Å; I353-V355 PolarHBondContact O-N 2.86Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.1Å
356T46Very low36Very low107 Ų107126.3 Ų126.366%0.65672%0.719SS**THydrogen-bonded Turntrans-69.4-25.4175.475.50000113.7D354D354-T356 PolarHBondContact O-N 3.05Å; D354-T356 WeakPolarHBondContact OD1-CB 3.41Å; D354-T356 PolarHBondContact OD1-N 3.25Å; D354-T356 PolarHBondContact OD1-OG1 3.06Å
357R34.5Very low36.1Very low189 Ų189126.2 Ų126.271%0.71372%0.717SS**THydrogen-bonded Turntrans-93.4-15.8-173.3-58.6-166.1-153.5-177.215115.3D354 V355 L359D354-R357 HydrophobicContact CB-CG 4.44Å; D354-R357 PolarHBondContact O-N 2.91Å; D354-R357 IonicContact OD2-CZ 3.88Å; D354-R357 VanDerWaalsContact OD2-CZ 3.29Å; D354-R357 IonicContact OD2-NE 2.95Å; D354-R357 PolarHBondContact OD2-NE 3.22Å; D354-R357 IonicContact OD2-NH2 3.29Å; D354-R357 PolarHBondContact OD2-NH2 2.9Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.1Å; R357-L359 PolarHBondContact O-N 3.43Å
358S33.5Very low36.4Very low90 Ų90130.4 Ų130.463%0.62973%0.731SS**THydrogen-bonded Turntrans-74.312.8178.5-60.50000114
359L39.6Very low36.2Very low144 Ų144127.7 Ų127.775%0.75472%0.724SS**THydrogen-bonded Turntrans-104.1-15.6-169.5-128.4147.5000114R357R357-L359 PolarHBondContact O-N 3.43Å
360D34.9Very low36.3Very low156 Ų156127.3 Ų127.383%0.83472%0.718SS**  trans-98.819.8-177.8-83.6-34.6000114.6S362D360-S362 PolarHBondContact O-N 3.4Å
361I33.4Very low36.1Very low153 Ų153123.4 Ų123.479%0.78571%0.712SS**  trans-87.194.2168.2-55.7-178.7000109.3
362S34.2Very low36.3Very low97 Ų97123.8 Ų123.868%0.67870%0.7SS**  trans-57.1148.1174.757.50000113.4D360D360-S362 PolarHBondContact O-N 3.4Å
363S31.6Very low36.4Very low127 Ų127118.5 Ų118.589%0.88868%0.677SS**SBendtrans60.481170.3590000116.9
364G30.7Very low36.7Very low57 Ų57114.7 Ų114.759%0.58867%0.666SS**  trans-168.9106.7164.700000110.9N366G364-N366 VanDerWaalsContact C-N 3.31Å; G364-N366 PolarHBondContact O-N 3.14Å
365V35.9Very low37.2Very low120 Ų120115.3 Ų115.373%0.72767%0.672SS**  trans-80.677.4-172.2-168.40000110.9Q367V365-Q367 PolarHBondContact O-N 3.39Å
366N32.7Very low37.3Very low129 Ų129114.5 Ų114.569%0.6966%0.661SS**  trans-65.998.1173.4-79.1-22.1000110.3G364 L368 S369G364-N366 VanDerWaalsContact C-N 3.31Å; G364-N366 PolarHBondContact O-N 3.14Å; N366-L368 PolarHBondContact O-N 2.67Å; N366-S369 PolarHBondContact O-N 2.9Å
367Q34.9Very low37.6Very low159 Ų159111.3 Ų111.374%0.74364%0.639SS**G310 helixtrans-63.1-13.6-173-62-174.9800114.4V365 S369V365-Q367 PolarHBondContact O-N 3.39Å; Q367-S369 VanDerWaalsContact C-N 3.34Å
368L35Very low38.6Very low180 Ų180106.4 Ų106.494%0.94263%0.63SS**G310 helixtrans-80.8-11.6175.8-60.5177.6000113.8N366N366-L368 PolarHBondContact O-N 2.67Å
369S33.2Very low39.4Very low97 Ų97108.1 Ų108.168%0.67863%0.63SS**G310 helixtrans-98.76.8175-55.70000113.1N366 Q367 S371N366-S369 PolarHBondContact O-N 2.9Å; Q367-S369 VanDerWaalsContact C-N 3.34Å; S369-S371 PolarHBondContact O-N 3.44Å
370Q32.6Very low40Very low127 Ų127106.1 Ų106.159%0.59362%0.615SS**  trans-7675.4165.4-71.1-168.9-5.300109.9L372Q370-L372 VanDerWaalsContact C-N 3.33Å; Q370-L372 PolarHBondContact O-N 3.02Å
371S36Very low40.9Very low113 Ų11399.1 Ų99.179%0.7958%0.58SS**  trans-56.5101156.7-54.30000107.5S369 S373S369-S371 PolarHBondContact O-N 3.44Å; S371-S373 PolarHBondContact O-N 2.84Å
372L37.1Very low41.8Very low67 Ų67100.3 Ų100.335%0.35157%0.574SS.*  trans-55.2107.5-179.8-67.5174.4000108.5Q370 A374 E376 L377Q370-L372 VanDerWaalsContact C-N 3.33Å; Q370-L372 PolarHBondContact O-N 3.02Å; L372-A374 PolarHBondContact O-N 3.23Å; L372-E376 HydrophobicContact CD2-CG 4.28Å; L372-E376 WeakPolarHBondContact CD2-OE2 3.49Å; L372-L377 HydrophobicContact CB-CD2 4.31Å; L372-L377 HydrophobicContact CB-CG 4.03Å; L372-L377 HydrophobicContact CD1-CD2 3.9Å
373S42.3Very low42.7Very low63 Ų63103.4 Ų103.444%0.44158%0.575SS.*  trans-52.3140.7178.2670000109S371 T375 E376S371-S373 PolarHBondContact O-N 2.84Å; S373-T375 PolarHBondContact O-N 3.17Å; S373-T375 PolarHBondContact OG-OG1 2.85Å; S373-E376 WeakPolarHBondContact O-CB 3.44Å; S373-E376 PolarHBondContact O-N 2.89Å
374A49.1Very low43.6Very low57 Ų5798.8 Ų98.847%0.47154%0.54SS..Hα-helixtrans-51.9-32.5-170.500000113.2L372 E376 L377 V378L372-A374 PolarHBondContact O-N 3.23Å; A374-E376 VanDerWaalsContact C-N 3.29Å; A374-E376 PolarHBondContact O-N 3.27Å; A374-L377 PolarHBondContact O-N 3.08Å; A374-V378 WeakPolarHBondContact O-CB 3.35Å; A374-V378 VanDerWaalsContact O-CG2 3.28Å; A374-V378 WeakPolarHBondContact O-CG2 3.1Å; A374-V378 PolarHBondContact O-N 2.91Å
375T46.4Very low44.6Very low75 Ų7599.5 Ų99.546%0.4654%0.537SS..Hα-helixtrans-47.6-41.2168.5160000115.3S373 M379S373-T375 PolarHBondContact O-N 3.17Å; S373-T375 PolarHBondContact OG-OG1 2.85Å; T375-M379 WeakPolarHBondContact O-CG 3.43Å; T375-M379 PolarHBondContact O-N 3.31Å; T375-M379 VanDerWaalsContact O-N 3.08Å
376E50Low45.1Very low98 Ų98102 Ų10246%0.45854%0.541SS..Hα-helixtrans-80.8-38.7-177.4-166.4162.2-156.300111.7L372 S373 A374 V378 M379 K380L372-E376 HydrophobicContact CD2-CG 4.28Å; L372-E376 WeakPolarHBondContact CD2-OE2 3.49Å; S373-E376 WeakPolarHBondContact O-CB 3.44Å; S373-E376 PolarHBondContact O-N 2.89Å; A374-E376 VanDerWaalsContact C-N 3.29Å; A374-E376 PolarHBondContact O-N 3.27Å; E376-V378 VanDerWaalsContact C-N 3.32Å; E376-V378 PolarHBondContact O-N 3.47Å; E376-M379 PolarHBondContact O-N 3.11Å; E376-K380 PolarHBondContact O-N 2.89Å
377L51.6Low45.8Very low40 Ų40101.8 Ų101.821%0.20953%0.533CS..Hα-helixtrans-61.1-39.1167.9-71174.8000111.6L372 A374 K380 G381 T409L372-L377 HydrophobicContact CB-CD2 4.31Å; L372-L377 HydrophobicContact CB-CG 4.03Å; L372-L377 HydrophobicContact CD1-CD2 3.9Å; A374-L377 PolarHBondContact O-N 3.08Å; L377-K380 PolarHBondContact O-N 2.81Å; L377-G381 WeakPolarHBondContact O-CA 3.45Å; L377-G381 PolarHBondContact O-N 2.91Å; L377-T409 HydrophobicContact CD1-CG2 4.5Å
378V56.2Low46.6Very low85 Ų85100.5 Ų100.552%0.51553%0.525SS..Hα-helixtrans-66.4-37.6174.8167.60000112.1A374 E376 R382A374-V378 WeakPolarHBondContact O-CB 3.35Å; A374-V378 VanDerWaalsContact O-CG2 3.28Å; A374-V378 WeakPolarHBondContact O-CG2 3.1Å; A374-V378 PolarHBondContact O-N 2.91Å; E376-V378 VanDerWaalsContact C-N 3.32Å; E376-V378 PolarHBondContact O-N 3.47Å; V378-R382 PolarHBondContact O-N 2.84Å
379M50.3Low47.3Very low127 Ų12799.7 Ų99.763%0.62652%0.522SS*.Hα-helixtrans-67.5-39.1174.4-76.5-164.7-64.600112.7T375 E376T375-M379 WeakPolarHBondContact O-CG 3.43Å; T375-M379 PolarHBondContact O-N 3.31Å; T375-M379 VanDerWaalsContact O-N 3.08Å; E376-M379 PolarHBondContact O-N 3.11Å
380K52.8Low47.8Very low102 Ų10296.9 Ų96.944%0.44351%0.505SS..Hα-helixtrans-69.8-43.9175.2-152179.7-176.7-169.10110.6E376 L377 R382 K383 L384 E402E376-K380 PolarHBondContact O-N 2.89Å; L377-K380 PolarHBondContact O-N 2.81Å; K380-R382 PolarHBondContact O-N 2.83Å; K380-K383 PolarHBondContact O-N 2.98Å; K380-K383 VanDerWaalsContact O-N 3.09Å; K380-L384 PolarHBondContact O-N 3.1Å; K380-E402 WeakPolarHBondContact CE-OE2 3.26Å; K380-E402 IonicContact NZ-OE1 2.61Å; K380-E402 IonicContact NZ-OE2 2.88Å; K380-E402 PolarHBondContact NZ-OE2 3.45Å
381G52.7Low48.6Very low9 Ų995 Ų959%0.09351%0.506CS..Hα-helixtrans-58.1-39.6175.300000113.1L377 K383 L384 S385L377-G381 WeakPolarHBondContact O-CA 3.45Å; L377-G381 PolarHBondContact O-N 2.91Å; G381-K383 PolarHBondContact O-N 3.17Å; G381-L384 CarbonylContact O-C 3.59Å; G381-L384 WeakPolarHBondContact O-CA 3.34Å; G381-L384 PolarHBondContact O-N 2.91Å; G381-S385 PolarHBondContact O-N 2.87Å; G381-S385 PolarHBondContact O-OG 3.04Å
382R52.3Low49.5Very low178 Ų17896.7 Ų96.767%0.67250%0.496SS*.Hα-helixtrans-58.1-31.8173.7-92.1-171.5171.5-171.9-2114.1V378 K380 L384 S385V378-R382 PolarHBondContact O-N 2.84Å; K380-R382 PolarHBondContact O-N 2.83Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-S385 WeakPolarHBondContact CA-OG 3.45Å; R382-S385 PolarHBondContact O-OG 3.1Å
383K52.6Low50.2Low162 Ų16299.6 Ų99.670%0.70452%0.521SS*.Hα-helixtrans-79.1-12.2174.5-66.7-173.3176.6-1780113.6K380 G381K380-K383 PolarHBondContact O-N 2.98Å; K380-K383 VanDerWaalsContact O-N 3.09Å; G381-K383 PolarHBondContact O-N 3.17Å
384L50.5Low50.9Low29 Ų29101.3 Ų101.315%0.15253%0.533CS..Hα-helixtrans-102.6-32.1177-64.2176.2000111.9K380 G381 R382 E386 K387 F388 E402K380-L384 PolarHBondContact O-N 3.1Å; G381-L384 CarbonylContact O-C 3.59Å; G381-L384 WeakPolarHBondContact O-CA 3.34Å; G381-L384 PolarHBondContact O-N 2.91Å; R382-L384 VanDerWaalsContact C-N 3.3Å; L384-E386 VanDerWaalsContact C-N 3.28Å; L384-E386 PolarHBondContact O-N 3.19Å; L384-K387 CarbonylContact O-C 3.56Å; L384-K387 WeakPolarHBondContact O-CA 3.47Å; L384-K387 WeakPolarHBondContact O-CB 3.23Å; L384-K387 PolarHBondContact O-N 3.37Å; L384-F388 PolarHBondContact O-N 2.81Å; L384-E402 HydrophobicContact CD1-CB 4.2Å
385S51.7Low51.1Low73 Ų73100.6 Ų100.651%0.5152%0.521SS..Hα-helixtrans-65-31.817361.10000112.4G381 R382 K387 F388G381-S385 PolarHBondContact O-N 2.87Å; G381-S385 PolarHBondContact O-OG 3.04Å; R382-S385 WeakPolarHBondContact CA-OG 3.45Å; R382-S385 PolarHBondContact O-OG 3.1Å; S385-K387 PolarHBondContact O-N 2.97Å; S385-F388 WeakPolarHBondContact O-CB 3.39Å; S385-F388 PolarHBondContact O-N 3.21Å
386E47.6Very low52.1Low173 Ų173106.3 Ų106.381%0.80853%0.534SS*.THydrogen-bonded Turntrans-66-16.5170.1-167.9168.7-143.600112.6L384L384-E386 VanDerWaalsContact C-N 3.28Å; L384-E386 PolarHBondContact O-N 3.19Å
387K47.9Very low52.9Low123 Ų123105.8 Ų105.854%0.53554%0.542SS..THydrogen-bonded Turntrans-104.411.9174.7-66.2-172174.4-172.20114.1L384 S385 N389 A390L384-K387 CarbonylContact O-C 3.56Å; L384-K387 WeakPolarHBondContact O-CA 3.47Å; L384-K387 WeakPolarHBondContact O-CB 3.23Å; L384-K387 PolarHBondContact O-N 3.37Å; S385-K387 PolarHBondContact O-N 2.97Å; K387-N389 PolarHBondContact O-N 2.84Å; K387-A390 HydrophobicContact CB-CB 4.43Å; K387-A390 VanDerWaalsContact O-CB 3.27Å; K387-A390 WeakPolarHBondContact O-CB 3.24Å; K387-A390 PolarHBondContact O-N 3.11Å
388F51.4Low53.7Low132 Ų132106.8 Ų106.858%0.57955%0.552SS**THydrogen-bonded Turntrans-62.4-18.4-177.9-150.8-93.1000113.6L384 S385L384-F388 PolarHBondContact O-N 2.81Å; S385-F388 WeakPolarHBondContact O-CB 3.39Å; S385-F388 PolarHBondContact O-N 3.21Å
389N48.2Very low54.6Low163 Ų163104.8 Ų104.887%0.87254%0.538SS*.THydrogen-bonded Turntrans-90.25.2172.7-68.1-8.8000114.2K387K387-N389 PolarHBondContact O-N 2.84Å
390A45.4Very low55.8Low39 Ų39101.4 Ų101.432%0.32253%0.525SS..SBendtrans-82.7117.2171.600000109.2K387 Y392K387-A390 HydrophobicContact CB-CB 4.43Å; K387-A390 VanDerWaalsContact O-CB 3.27Å; K387-A390 WeakPolarHBondContact O-CB 3.24Å; K387-A390 PolarHBondContact O-N 3.11Å; A390-Y392 PolarHBondContact O-N 2.84Å
391S49.2Very low56.9Low87 Ų87103.5 Ų103.561%0.60853%0.534SS*.  trans-51.3137.6175.5-49.40000111S393 S394S391-S393 PolarHBondContact O-N 3.31Å; S391-S394 WeakPolarHBondContact O-CB 3.43Å; S391-S394 PolarHBondContact O-N 3.13Å
392Y53.1Low58Low149 Ų149105.1 Ų105.158%0.58454%0.539SS*.G310 helixtrans-48.6-35.2-177.8-70.6-83.7000113.5A390 S394 M395 L403A390-Y392 PolarHBondContact O-N 2.84Å; Y392-S394 PolarHBondContact O-N 3.43Å; Y392-M395 HydrophobicContact CD1-SD 4.18Å; Y392-M395 PolarHBondContact O-N 2.83Å; Y392-M395 VanDerWaalsContact O-N 3.1Å; Y392-L403 HydrophobicContact CE1-CD2 4.06Å
393S53.8Low59.2Low127 Ų12797.4 Ų97.489%0.88851%0.511SS*.G310 helixtrans-59.2-12.4175.1-31.40000115.7S391S391-S393 PolarHBondContact O-N 3.31Å
394S55.2Low60.4Low99 Ų9992 Ų9269%0.69250%0.497SS*.G310 helixtrans-104.8-9.4179.8-165.90000113.2S391 Y392S391-S394 WeakPolarHBondContact O-CB 3.43Å; S391-S394 PolarHBondContact O-N 3.13Å; Y392-S394 PolarHBondContact O-N 3.43Å
395M54.5Low61.8Low42 Ų4295.9 Ų95.921%0.20751%0.51CS..SBendtrans-79.9141.1180-64.8-178.866.200111Y392 D399 V400 L403Y392-M395 HydrophobicContact CD1-SD 4.18Å; Y392-M395 PolarHBondContact O-N 2.83Å; Y392-M395 VanDerWaalsContact O-N 3.1Å; M395-D399 HydrophobicContact CB-CB 4.4Å; M395-D399 VanDerWaalsContact CE-C 3.47Å; M395-D399 HydrophobicContact CE-CB 3.79Å; M395-D399 WeakPolarHBondContact CE-O 3.43Å; M395-V400 HydrophobicContact CB-CG2 3.73Å; M395-V400 HydrophobicContact CE-CG2 4.19Å; M395-V400 HydrophobicContact SD-CG2 4.36Å; M395-L403 HydrophobicContact CE-CB 4.12Å; M395-L403 HydrophobicContact CE-CD2 4.17Å; M395-L403 HydrophobicContact SD-CD2 4.49Å
396R66.3Low63.2Low195 Ų19595 Ų9574%0.73650%0.499SS*.  trans-70.1149.3164.8-74.4-179.2166.8141.4-1.2108.8S398 D399 V400R396-S398 PolarHBondContact O-N 2.82Å; R396-S398 VanDerWaalsContact O-N 3.15Å; R396-D399 WeakPolarHBondContact O-CA 3.44Å; R396-D399 WeakPolarHBondContact O-CB 3.49Å; R396-D399 PolarHBondContact O-N 2.9Å; R396-V400 PolarHBondContact O-N 3.42Å
397S66.8Low64.8Low88 Ų8890.9 Ų90.962%0.61548%0.479SS*.Hα-helixtrans-54.5-36.1-179.850.40000112.9D399 V400 F401S397-D399 VanDerWaalsContact C-N 3.28Å; S397-D399 PolarHBondContact O-N 3.15Å; S397-V400 PolarHBondContact O-N 2.93Å; S397-F401 WeakPolarHBondContact O-CD2 3.48Å; S397-F401 PolarHBondContact O-N 3.5Å; S397-F401 VanDerWaalsContact O-N 3.13Å
398S70.2Confident66.2Low61 Ų6189 Ų8943%0.42747%0.473SS..Hα-helixtrans-51.6-44.8169.552.10000113.4R396 V400 F401 E402R396-S398 PolarHBondContact O-N 2.82Å; R396-S398 VanDerWaalsContact O-N 3.15Å; S398-V400 VanDerWaalsContact C-N 3.33Å; S398-F401 PolarHBondContact O-N 3.38Å; S398-E402 VanDerWaalsContact O-CG 3.24Å; S398-E402 WeakPolarHBondContact O-CG 3.2Å; S398-E402 PolarHBondContact O-N 2.9Å
399D74.3Confident67.4Low42 Ų4284.6 Ų84.623%0.22546%0.457CS..Hα-helixtrans-74.6-31.1-173.2-52.5-4.3000109.8M395 R396 S397 L403M395-D399 HydrophobicContact CB-CB 4.4Å; M395-D399 VanDerWaalsContact CE-C 3.47Å; M395-D399 HydrophobicContact CE-CB 3.79Å; M395-D399 WeakPolarHBondContact CE-O 3.43Å; R396-D399 WeakPolarHBondContact O-CA 3.44Å; R396-D399 WeakPolarHBondContact O-CB 3.49Å; R396-D399 PolarHBondContact O-N 2.9Å; S397-D399 VanDerWaalsContact C-N 3.28Å; S397-D399 PolarHBondContact O-N 3.15Å; D399-L403 VanDerWaalsContact O-CB 3.29Å; D399-L403 WeakPolarHBondContact O-CB 3.42Å; D399-L403 PolarHBondContact O-N 3.34Å
400V75.8Confident68.8Low57 Ų5782 Ų8235%0.34544%0.439SS..Hα-helixtrans-68.1-45.7174.2-177.40000110.9M395 R396 S397 S398 E402 L403 A404M395-V400 HydrophobicContact CB-CG2 3.73Å; M395-V400 HydrophobicContact CE-CG2 4.19Å; M395-V400 HydrophobicContact SD-CG2 4.36Å; R396-V400 PolarHBondContact O-N 3.42Å; S397-V400 PolarHBondContact O-N 2.93Å; S398-V400 VanDerWaalsContact C-N 3.33Å; V400-E402 PolarHBondContact O-N 3.36Å; V400-L403 PolarHBondContact O-N 3.27Å; V400-A404 WeakPolarHBondContact O-CB 3.41Å; V400-A404 PolarHBondContact O-N 3.09Å
401F75.2Confident70.2Confident146 Ų14685.4 Ų85.464%0.6445%0.451SS*.Hα-helixtrans-65.3-37.4176-71.1-63.1000112.8S397 S398 R405S397-F401 WeakPolarHBondContact O-CD2 3.48Å; S397-F401 PolarHBondContact O-N 3.5Å; S397-F401 VanDerWaalsContact O-N 3.13Å; S398-F401 PolarHBondContact O-N 3.38Å; F401-R405 WeakPolarHBondContact O-CB 3.27Å; F401-R405 PolarHBondContact O-N 3.45Å
402E75.7Confident71.4Confident42 Ų4289.6 Ų89.620%0.19645%0.454CS..Hα-helixtrans-69.9-34.8174.5-64.3-80.5129.900111.8K380 L384 S398 V400 R405 L406K380-E402 WeakPolarHBondContact CE-OE2 3.26Å; K380-E402 IonicContact NZ-OE1 2.61Å; K380-E402 IonicContact NZ-OE2 2.88Å; K380-E402 PolarHBondContact NZ-OE2 3.45Å; L384-E402 HydrophobicContact CD1-CB 4.2Å; S398-E402 VanDerWaalsContact O-CG 3.24Å; S398-E402 WeakPolarHBondContact O-CG 3.2Å; S398-E402 PolarHBondContact O-N 2.9Å; V400-E402 PolarHBondContact O-N 3.36Å; E402-R405 IonicContact OE1-CZ 3.52Å; E402-R405 IonicContact OE1-NH1 2.75Å; E402-R405 PolarHBondContact OE1-NH1 3.48Å; E402-R405 IonicContact OE1-NH2 3.41Å; E402-R405 IonicContact OE2-NH1 2.68Å; E402-L406 VanDerWaalsContact O-CB 3.32Å; E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 PolarHBondContact O-N 2.94Å
403L78.8Confident72.1Confident16 Ų1688.4 Ų88.48%0.08445%0.453CS..Hα-helixtrans-67.5-45.3173.8-167.383.3000111.6Y392 M395 D399 V400 R405 L406 Q407Y392-L403 HydrophobicContact CE1-CD2 4.06Å; M395-L403 HydrophobicContact CE-CB 4.12Å; M395-L403 HydrophobicContact CE-CD2 4.17Å; M395-L403 HydrophobicContact SD-CD2 4.49Å; D399-L403 VanDerWaalsContact O-CB 3.29Å; D399-L403 WeakPolarHBondContact O-CB 3.42Å; D399-L403 PolarHBondContact O-N 3.34Å; V400-L403 PolarHBondContact O-N 3.27Å; L403-R405 PolarHBondContact O-N 3.2Å; L403-L406 WeakPolarHBondContact O-CB 3.49Å; L403-L406 PolarHBondContact O-N 3.37Å; L403-Q407 WeakPolarHBondContact O-CG 3.41Å; L403-Q407 PolarHBondContact O-N 2.97Å
404A77.7Confident72.3Confident50 Ų5088.9 Ų88.941%0.41344%0.441SS..Hα-helixtrans-61.4-43.2176.200000111.3V400 L406 Q407 E408V400-A404 WeakPolarHBondContact O-CB 3.41Å; V400-A404 PolarHBondContact O-N 3.09Å; A404-L406 PolarHBondContact O-N 3.22Å; A404-Q407 PolarHBondContact O-N 2.88Å; A404-E408 WeakPolarHBondContact O-CB 3.47Å; A404-E408 PolarHBondContact O-N 3.34Å
405R78.9Confident72.3Confident110 Ų11088.3 Ų88.342%0.41544%0.437SS..Hα-helixtrans-64.1-38.8173.3-164.8-172.2-58129.98.1112.1F401 E402 L403 E408 T409F401-R405 WeakPolarHBondContact O-CB 3.27Å; F401-R405 PolarHBondContact O-N 3.45Å; E402-R405 IonicContact OE1-CZ 3.52Å; E402-R405 IonicContact OE1-NH1 2.75Å; E402-R405 PolarHBondContact OE1-NH1 3.48Å; E402-R405 IonicContact OE1-NH2 3.41Å; E402-R405 IonicContact OE2-NH1 2.68Å; L403-R405 PolarHBondContact O-N 3.2Å; R405-E408 PolarHBondContact O-N 3.25Å; R405-T409 WeakPolarHBondContact O-CG2 3.22Å; R405-T409 PolarHBondContact O-N 3.47Å; R405-T409 PolarHBondContact O-OG1 3.35Å
406L81.5Confident71.9Confident54 Ų5488.5 Ų88.528%0.28345%0.45SS..Hα-helixtrans-63.8-44.4176.3-174.865.7000111.2E402 L403 A404 T409 H410E402-L406 VanDerWaalsContact O-CB 3.32Å; E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 PolarHBondContact O-N 2.94Å; L403-L406 WeakPolarHBondContact O-CB 3.49Å; L403-L406 PolarHBondContact O-N 3.37Å; A404-L406 PolarHBondContact O-N 3.22Å; L406-T409 WeakPolarHBondContact CA-OG1 3.43Å; L406-T409 PolarHBondContact O-N 3.38Å; L406-T409 PolarHBondContact O-OG1 3.15Å; L406-H410 WeakPolarHBondContact O-CB 3.25Å; L406-H410 PolarHBondContact O-N 2.94Å
407Q81.2Confident71Confident86 Ų8684.4 Ų84.440%0.40245%0.451SS..Hα-helixtrans-60.3-44.1172.6-73.9174.2-29.300111.5L403 A404 T409 H410 L411L403-Q407 WeakPolarHBondContact O-CG 3.41Å; L403-Q407 PolarHBondContact O-N 2.97Å; A404-Q407 PolarHBondContact O-N 2.88Å; Q407-T409 PolarHBondContact O-N 2.9Å; Q407-H410 PolarHBondContact O-N 3.48Å; Q407-L411 WeakPolarHBondContact O-CB 3.35Å; Q407-L411 VanDerWaalsContact O-CG 3.3Å; Q407-L411 WeakPolarHBondContact O-CG 3.43Å; Q407-L411 PolarHBondContact O-N 3.46Å
408E78.1Confident70.1Confident85 Ų8589.7 Ų89.740%0.39746%0.458SS..Hα-helixtrans-60.2-44.6174.8-164-153.716100111.8A404 R405 H410 L411 R412A404-E408 WeakPolarHBondContact O-CB 3.47Å; A404-E408 PolarHBondContact O-N 3.34Å; R405-E408 PolarHBondContact O-N 3.25Å; E408-H410 PolarHBondContact O-N 3.22Å; E408-L411 PolarHBondContact O-N 3.4Å; E408-R412 WeakPolarHBondContact O-CB 3.46Å; E408-R412 WeakPolarHBondContact O-CG 3.33Å; E408-R412 PolarHBondContact O-N 2.98Å; E408-R412 IonicContact OE1-CZ 2.73Å; E408-R412 IonicContact OE1-NE 2.67Å; E408-R412 PolarHBondContact OE1-NE 2.97Å; E408-R412 IonicContact OE1-NH2 2.64Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å
409T76.5Confident68.8Low39 Ų3991.7 Ų91.724%0.23947%0.472CS..Hα-helixtrans-64.4-40.4176.551.60000112.3L377 R405 L406 Q407 R412 E413L377-T409 HydrophobicContact CD1-CG2 4.5Å; R405-T409 WeakPolarHBondContact O-CG2 3.22Å; R405-T409 PolarHBondContact O-N 3.47Å; R405-T409 PolarHBondContact O-OG1 3.35Å; L406-T409 WeakPolarHBondContact CA-OG1 3.43Å; L406-T409 PolarHBondContact O-N 3.38Å; L406-T409 PolarHBondContact O-OG1 3.15Å; Q407-T409 PolarHBondContact O-N 2.9Å; T409-R412 PolarHBondContact O-N 3.43Å; T409-E413 WeakPolarHBondContact O-CG 3.34Å; T409-E413 PolarHBondContact O-N 3.14Å
410H76.8Confident67.2Low107 Ų10798.5 Ų98.550%0.49550%0.499SS..Hα-helixtrans-67.8-38.1178.2-164.348.4000111.6L406 Q407 E408 E413 H414L406-H410 WeakPolarHBondContact O-CB 3.25Å; L406-H410 PolarHBondContact O-N 2.94Å; Q407-H410 PolarHBondContact O-N 3.48Å; E408-H410 PolarHBondContact O-N 3.22Å; H410-E413 PolarHBondContact O-N 2.97Å; H410-H414 AromaticContact CE1-CD2 3.35Å; H410-H414 PolarHBondContact CE1-CD2 2.61Å; H410-H414 AromaticContact CE1-NE2 3.04Å; H410-H414 PolarHBondContact CE1-NE2 3.16Å; H410-H414 AromaticContact CG-CD2 3.96Å; H410-H414 AromaticContact ND1-CD2 3.47Å; H410-H414 PolarHBondContact ND1-CD2 2.88Å; H410-H414 AromaticContact ND1-NE2 3.47Å; H410-H414 PolarHBondContact ND1-NE2 3.41Å; H410-H414 AromaticContact NE2-CD2 3.78Å; H410-H414 AromaticContact NE2-NE2 3.75Å; H410-H414 WeakPolarHBondContact O-CB 3.36Å; H410-H414 PolarHBondContact O-CD2 3.01Å; H410-H414 VanDerWaalsContact O-CD2 3.24Å; H410-H414 PolarHBondContact O-N 3.06Å
411L75.5Confident65.6Low111 Ų111101.6 Ų101.658%0.58151%0.513SS*.Hα-helixtrans-65-43.3170.2-73170000111.4Q407 E408 E413 H414 S415Q407-L411 WeakPolarHBondContact O-CB 3.35Å; Q407-L411 VanDerWaalsContact O-CG 3.3Å; Q407-L411 WeakPolarHBondContact O-CG 3.43Å; Q407-L411 PolarHBondContact O-N 3.46Å; E408-L411 PolarHBondContact O-N 3.4Å; L411-E413 VanDerWaalsContact C-N 3.33Å; L411-E413 PolarHBondContact O-N 3.27Å; L411-H414 PolarHBondContact O-N 3.18Å; L411-S415 WeakPolarHBondContact O-CB 3.3Å; L411-S415 PolarHBondContact O-N 3.28Å; L411-S415 PolarHBondContact O-OG 3.17Å; L411-S415 VanDerWaalsContact O-OG 3.04Å
412R73.9Confident63.9Low176 Ų176102 Ų10266%0.66452%0.522SS*.Hα-helixtrans-62.3-38175.5-75.3176.9-178.1-103.24.8112.6E408 T409E408-R412 WeakPolarHBondContact O-CB 3.46Å; E408-R412 WeakPolarHBondContact O-CG 3.33Å; E408-R412 PolarHBondContact O-N 2.98Å; E408-R412 IonicContact OE1-CZ 2.73Å; E408-R412 IonicContact OE1-NE 2.67Å; E408-R412 PolarHBondContact OE1-NE 2.97Å; E408-R412 IonicContact OE1-NH2 2.64Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å; T409-R412 PolarHBondContact O-N 3.43Å
413E67.3Low62.1Low123 Ų123104.4 Ų104.458%0.57554%0.543SS*.Hα-helixtrans-65.7-45.2174.1-74178.2166.800111.7T409 H410 L411 G416T409-E413 WeakPolarHBondContact O-CG 3.34Å; T409-E413 PolarHBondContact O-N 3.14Å; H410-E413 PolarHBondContact O-N 2.97Å; L411-E413 VanDerWaalsContact C-N 3.33Å; L411-E413 PolarHBondContact O-N 3.27Å; E413-G416 PolarHBondContact O-N 3.17Å
414H58.8Low59.9Low138 Ų138108 Ų10864%0.63957%0.569SS**Hα-helixtrans-83.8-25.5-177.1-72.4-55.5000115.2H410 L411 G416H410-H414 AromaticContact CE1-CD2 3.35Å; H410-H414 PolarHBondContact CE1-CD2 2.61Å; H410-H414 AromaticContact CE1-NE2 3.04Å; H410-H414 PolarHBondContact CE1-NE2 3.16Å; H410-H414 AromaticContact CG-CD2 3.96Å; H410-H414 AromaticContact ND1-CD2 3.47Å; H410-H414 PolarHBondContact ND1-CD2 2.88Å; H410-H414 AromaticContact ND1-NE2 3.47Å; H410-H414 PolarHBondContact ND1-NE2 3.41Å; H410-H414 AromaticContact NE2-CD2 3.78Å; H410-H414 AromaticContact NE2-NE2 3.75Å; H410-H414 WeakPolarHBondContact O-CB 3.36Å; H410-H414 PolarHBondContact O-CD2 3.01Å; H410-H414 VanDerWaalsContact O-CD2 3.24Å; H410-H414 PolarHBondContact O-N 3.06Å; L411-H414 PolarHBondContact O-N 3.18Å; H414-G416 PolarHBondContact O-N 2.95Å
415S55.1Low57.6Low86 Ų86113.7 Ų113.760%0.60159%0.592SS**THydrogen-bonded Turntrans-73.54.1167-63.30000112.8L411 S417L411-S415 WeakPolarHBondContact O-CB 3.3Å; L411-S415 PolarHBondContact O-N 3.28Å; L411-S415 PolarHBondContact O-OG 3.17Å; L411-S415 VanDerWaalsContact O-OG 3.04Å; S415-S417 PolarHBondContact O-N 3.08Å
416G45.7Very low55.4Low46 Ų46114 Ų11447%0.47461%0.606SS.*  trans-63.318.617800000117E413 H414 R418E413-G416 PolarHBondContact O-N 3.17Å; H414-G416 PolarHBondContact O-N 2.95Å; G416-R418 PolarHBondContact O-N 2.76Å
417S46.6Very low53.2Low110 Ų110115.8 Ų115.877%0.76962%0.624SS**THydrogen-bonded Turntrans-73.429.1174.6-153.30000113.5S415S415-S417 PolarHBondContact O-N 3.08Å
418R47.9Very low50.8Low199 Ų199120.6 Ų120.675%0.75165%0.651SS**THydrogen-bonded Turntrans-88.4-1.1175.4-67-174.367.5168.61.1113.2G416 K420 L421G416-R418 PolarHBondContact O-N 2.76Å; R418-K420 PolarHBondContact O-N 2.9Å; R418-L421 PolarHBondContact O-N 2.69Å
419S43.3Very low48.7Very low102 Ų102122.4 Ų122.471%0.71367%0.668SS**THydrogen-bonded Turntrans-70.921.6178.1560000115.3
420K41.1Very low46.7Very low185 Ų185129.9 Ų129.980%0.80470%0.701SS**THydrogen-bonded Turntrans-131.714.5175.6-75.6-166.5174.2-178.60114.5R418 D422R418-K420 PolarHBondContact O-N 2.9Å; K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 2.68Å
421L43Very low44.4Very low122 Ų122130 Ų13064%0.63971%0.714SS**  trans-94.454163.8-64.9-179.6000111.1R418 C423R418-L421 PolarHBondContact O-N 2.69Å; L421-C423 PolarHBondContact O-N 2.88Å
422D39.1Very low42.2Very low156 Ų156129.7 Ų129.783%0.83472%0.72SS**  trans-70.754.3152.4-79.4-40.7000109.2K420 S424K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 2.68Å; D422-S424 PolarHBondContact O-N 2.86Å
423C37Very low40.1Very low92 Ų92131.2 Ų131.262%0.62273%0.732SS**  trans-93.389.1175-68.90000107.4L421L421-C423 PolarHBondContact O-N 2.88Å
424S33Very low38.3Very low91 Ų91129 Ų12964%0.63674%0.742SS**  trans-40.4135.9177.6-54.90000113D422 T426D422-S424 PolarHBondContact O-N 2.86Å; S424-T426 PolarHBondContact O-N 3.22Å
425N29.4Very low37.2Very low169 Ų169129.2 Ų129.290%0.90475%0.748SS**  trans-71.759.5169.5-71.6-22.5000111.4S427N425-S427 PolarHBondContact O-N 2.91Å
426T33.5Very low36Very low116 Ų116132.9 Ų132.971%0.71276%0.756SS**  trans-86.190.9171.8480000109.4S424S424-T426 PolarHBondContact O-N 3.22Å
427S34.5Very low35.3Very low92 Ų92138.7 Ų138.764%0.64377%0.768SS**  trans6.6114.5160.9-520000117.7N425 T429N425-S427 PolarHBondContact O-N 2.91Å; S427-T429 PolarHBondContact O-N 2.89Å
428L31Very low35Very low187 Ų187142.8 Ų142.898%0.97977%0.774SS**SBendtrans-72.947164.7-69.2170.9000112.1
429T34.7Very low34.1Very low123 Ų123143.2 Ų143.276%0.75578%0.776SS**  trans-141.745-176.964.60000112.1S427S427-T429 PolarHBondContact O-N 2.89Å
430E33.6Very low33.3Very low197 Ų197147.2 Ų147.292%0.92178%0.781SS**  trans-127.2121.5159-162.5154.9-127.200109.3
431S28.5Very low32.8Very low110 Ų110147.7 Ų147.777%0.76979%0.785SS**  trans-106.9161.3-165580000112.4
432S29.5Very low32.2Very low103 Ų103150.6 Ų150.672%0.7279%0.793SS**  trans85100.9159.5-160.50000117.7
433F30.3Very low31.6Very low208 Ų208148.7 Ų148.791%0.91279%0.792SS**  trans25.3111.4133.5-67.4-85.1000119.9
434G28.9Very low31.3Very low76 Ų76149.6 Ų149.678%0.78480%0.799SS**  103119.2125.900000118.3
435D35.7Very low31.1Very low143 Ų143149.9 Ų149.977%0.76581%0.807SS**  -162.3104.1109.4-134.5-26.3000112.5K437D435-K437 VanDerWaalsContact C-N 3.25Å; D435-K437 PolarHBondContact O-N 3.32Å
436E28.7Very low31Very low163 Ų163146.9 Ų146.976%0.76281%0.806SS**  trans-84.850.1179.9-160-15114600112.4R439E436-R439 IonicContact OE1-NH2 3.61Å
437K32.6Very low30.5Very low169 Ų169145.1 Ų145.174%0.73581%0.811SS**  trans-131.227.8-167.5-80-164.1175.1178.40119.1D435D435-K437 VanDerWaalsContact C-N 3.25Å; D435-K437 PolarHBondContact O-N 3.32Å
438H39.6Very low30.5Very low195 Ų195146.2 Ų146.290%0.90382%0.819SS**  trans-118.159.8167.3-69.8-51.8000114.7K440H438-K440 PolarHBondContact O-N 3.36Å
439R29.6Very low30.3Very low208 Ų208146 Ų14679%0.78582%0.817SS**  trans-77.1115.7166.3-81.5-174.3179.4179.13.5111.7E436E436-R439 IonicContact OE1-NH2 3.61Å
440K26.3Very low29.9Very low186 Ų186142.9 Ų142.981%0.80981%0.808SS**  trans64.4118.7158.6-54.1177.8179.9-178.50117.1H438H438-K440 PolarHBondContact O-N 3.36Å
441H31.2Very low29.6Very low195 Ų195142.4 Ų142.490%0.90381%0.806SS**  trans-150.5150.8131.3-111.8-83.3000113
442K28.6Very low29.6Very low183 Ų183147.3 Ų147.380%0.79681%0.814SS**  trans-63.8136.8-166-65.1169.9171.21780116.5
443S27Very low29.7Very low116 Ų116147.9 Ų147.981%0.81182%0.818SS**  trans24.4112136.764.20000121.2
444S31.8Very low29.5Very low111 Ų111141.7 Ų141.778%0.77681%0.812SS**  trans-146.5120.4141.150.40000106.8
445A27.4Very low29.8Very low98 Ų98143.7 Ų143.781%0.8181%0.814SS**  78.8127.552.700000113.5
446A27.4Very low29.3Very low105 Ų105140.2 Ų140.287%0.86881%0.812SS**  trans66.2102.6172.400000119.4
447G24Very low29.4Very low80 Ų80140.7 Ų140.783%0.82582%0.819SS**  80.198.6115.800000120
448S34.3Very low29Very low115 Ų115138.6 Ų138.680%0.80483%0.826SS**  trans-125.995.6144.6-173.60000110G450S448-G450 VanDerWaalsContact C-N 3.32Å; S448-G450 PolarHBondContact O-N 3.22Å
449I27.6Very low28.6Very low183 Ų183134.4 Ų134.494%0.93882%0.818SS**  trans-87.381.3168.2-62174.3000105.9
450G26.1Very low28.5Very low56 Ų56129.8 Ų129.858%0.57782%0.817SS**  trans-124.562.1-157.600000116S448S448-G450 VanDerWaalsContact C-N 3.32Å; S448-G450 PolarHBondContact O-N 3.22Å
451Q26.9Very low28.4Very low187 Ų187124.3 Ų124.387%0.87481%0.813SS**  trans54.5130.5160.6-62-170.1-11.100120.7S453Q451-S453 PolarHBondContact O-N 3.3Å
452K27.6Very low28.3Very low214 Ų214121.4 Ų121.493%0.9381%0.808SS**  trans-70.2108.3166.9-61.4173.2-179.3177.50110.1G454K452-G454 PolarHBondContact O-N 3.1Å
453S32.3Very low28.1Very low115 Ų115118.1 Ų118.180%0.80481%0.809SS**  trans-79.498.7164.6-720000109.8Q451 S455Q451-S453 PolarHBondContact O-N 3.3Å; S453-S455 PolarHBondContact O-N 3.42Å
454G26.8Very low28.3Very low77 Ų77117 Ų11779%0.79481%0.806SS**  trans-78.379.2-177.900000113.3K452 G456K452-G454 PolarHBondContact O-N 3.1Å; G454-G456 PolarHBondContact O-N 3.24Å
455S34.1Very low28.1Very low118 Ų118117.6 Ų117.683%0.82581%0.806SS**  trans-71.980.2166.957.60000110.2S453 L457S453-S455 PolarHBondContact O-N 3.42Å; S455-L457 PolarHBondContact O-N 2.93Å
456G25Very low28.3Very low71 Ų71122 Ų12273%0.73281%0.809SS**  trans-73.1107.3-174.400000113.5G454G454-G456 PolarHBondContact O-N 3.24Å
457L31.3Very low28.4Very low172 Ų172122.4 Ų122.490%0.90181%0.805SS**  trans-113.787.8151.1-74.8-179.9000108.8S455 S459S455-L457 PolarHBondContact O-N 2.93Å; L457-S459 PolarHBondContact O-N 3.46Å
458S24.1Very low28.7Very low125 Ų125126 Ų12687%0.87480%0.801SS**  trans-73.3100.8168.9176.20000109.1
459S30.9Very low28.4Very low107 Ų107129.6 Ų129.675%0.74880%0.804SS**  trans-82.9125.9153.750.40000108.8L457L457-S459 PolarHBondContact O-N 3.46Å
460C27.5Very low28.6Very low112 Ų112127.8 Ų127.876%0.75779%0.792SS**  trans-60.9144.4152.2520000108.1
461G24.9Very low28.9Very low70 Ų70132.6 Ų132.672%0.72280%0.803SS**  cis103.660.529.400000109
462V29.3Very low29.2Very low134 Ų134127 Ų12781%0.81279%0.789SS**  trans-120.187.8174-178.10000107.6A464V462-A464 PolarHBondContact O-N 2.88Å
463S23.3Very low29.5Very low114 Ų114124.8 Ų124.880%0.79779%0.785SS**  trans-77.996.6173.7-57.60000109.8T465S463-T465 PolarHBondContact O-N 3.31Å
464A31.3Very low29.3Very low92 Ų92126.7 Ų126.776%0.7678%0.782SS**  trans-88.494.6168.800000109.3V462 H466V462-A464 PolarHBondContact O-N 2.88Å; A464-H466 PolarHBondContact O-N 3.44Å
465T29Very low29.9Very low125 Ų125128.5 Ų128.577%0.76777%0.773SS**  trans-79.987.3-173.452.40000112.9S463S463-T465 PolarHBondContact O-N 3.31Å
466H31.2Very low30.8Very low190 Ų190128.8 Ų128.888%0.8877%0.77SS**  trans-131.4133.5150.6-10628.2000109.3A464A464-H466 PolarHBondContact O-N 3.44Å
467S29.8Very low31.9Very low113 Ų113132.5 Ų132.579%0.7977%0.773SS**  trans-77.5134.1-165.841.30000112.5E469S467-E469 PolarHBondContact O-N 3.46Å
468H30.4Very low31.9Very low157 Ų157126.8 Ų126.873%0.72776%0.756SS**  trans-55.1134149.5-97.8-137.6000108.3E470H468-E470 HydrophobicContact CB-CB 4.34Å; H468-E470 IonicContact CE1-OE2 3.8Å; H468-E470 PolarHBondContact CE1-OE2 3.41Å; H468-E470 IonicContact ND1-OE2 2.68Å; H468-E470 PolarHBondContact ND1-OE2 2.98Å
469E27.8Very low32.7Very low189 Ų189131.2 Ų131.288%0.88375%0.754SS**  trans-115.464.6157.5-162.8162.9-124.400106.8S467S467-E469 PolarHBondContact O-N 3.46Å
470E31.6Very low33Very low145 Ų145132 Ų13268%0.67876%0.756SS**  trans-83.3116.4177.6-178173.1175.100108H468 A472H468-E470 HydrophobicContact CB-CB 4.34Å; H468-E470 IonicContact CE1-OE2 3.8Å; H468-E470 PolarHBondContact CE1-OE2 3.41Å; H468-E470 IonicContact ND1-OE2 2.68Å; H468-E470 PolarHBondContact ND1-OE2 2.98Å; E470-A472 PolarHBondContact O-N 3.04Å
471I31.6Very low33.8Very low157 Ų157134.5 Ų134.581%0.80576%0.757SS**  trans-77.973.4-175.8-52.2176.3000109.2I473I471-I473 PolarHBondContact O-N 2.87Å
472A32.7Very low34.6Very low70 Ų70141.6 Ų141.658%0.57976%0.762SS**  trans-69.2121.3164.200000108.7E470 E474E470-A472 PolarHBondContact O-N 3.04Å; A472-E474 VanDerWaalsContact C-N 3.33Å; A472-E474 PolarHBondContact O-N 3.41Å
473I35.2Very low35.1Very low167 Ų167144.3 Ų144.386%0.85677%0.765SS**  trans-77.390.7169.9-57.7177000106.6I471 D475I471-I473 PolarHBondContact O-N 2.87Å; I473-D475 PolarHBondContact O-N 3.16Å
474E27.6Very low35.6Very low156 Ų156146.3 Ų146.373%0.72976%0.762SS**  trans-72.8114.4175.8-67.9-164.4127.200110.5A472A472-E474 VanDerWaalsContact C-N 3.33Å; A472-E474 PolarHBondContact O-N 3.41Å
475D38.7Very low35.9Very low114 Ų114148.1 Ų148.161%0.6176%0.764SS**  trans-68.9151.6160.6-171.616.9000109.9I473 N477 G478I473-D475 PolarHBondContact O-N 3.16Å; D475-N477 PolarHBondContact O-N 3.12Å; D475-G478 PolarHBondContact O-N 3.49Å
476T53.8Low36.1Very low125 Ų125148.5 Ų148.577%0.76776%0.759SS**THydrogen-bonded Turntrans-59.22.9-158.853.70000117.6
477N47.5Very low36.1Very low148 Ų148146 Ų14679%0.79175%0.752SS**THydrogen-bonded Turntrans-126.319.9175.2-71.7-91000114D475 R479D475-N477 PolarHBondContact O-N 3.12Å; N477-R479 PolarHBondContact O-N 3.2Å
478G32.5Very low36.5Very low53 Ų53145.1 Ų145.155%0.54675%0.75SS.*SBendtrans63.239.7158.900000115.2D475D475-G478 PolarHBondContact O-N 3.49Å
479R40.6Very low37Very low218 Ų218147.3 Ų147.382%0.82376%0.758SS**  trans-137.2130.3178.8-162.1178.1-165.4-171.95.1109.6N477 E481N477-R479 PolarHBondContact O-N 3.2Å; R479-E481 PolarHBondContact O-N 3.44Å
480P36.7Very low37Very low123 Ų123146.7 Ų146.780%0.79976%0.755SS**PPolyproline II helixtrans-61.5128.1-176.223.8-34000111.1R482P480-R482 PolarHBondContact O-N 3.25Å
481E45.2Very low37.1Very low165 Ų165144.4 Ų144.477%0.77175%0.754SS**PPolyproline II helixtrans-62.7132.2-179.1-166-172.7162.300110.5R479R479-E481 PolarHBondContact O-N 3.44Å
482R41.3Very low37.1Very low219 Ų219146.6 Ų146.683%0.82676%0.758SS**PPolyproline II helixtrans-81.8118.6169.3-82.5-175.8163.3-160.9-5.6108.3P480 H484P480-R482 PolarHBondContact O-N 3.25Å; R482-H484 PolarHBondContact O-CD2 2.83Å; R482-H484 PolarHBondContact O-N 3.43Å
483Q38.8Very low37Very low190 Ų190152.1 Ų152.189%0.88877%0.769SS**  trans-47.5108.8169.7-68.7175.7-21.400110.5T485Q483-T485 PolarHBondContact O-N 3.01Å
484H35Very low36.8Very low157 Ų157150.2 Ų150.273%0.72777%0.767SS**  trans-76.3112179.7-85.7-97.5000109.7R482 I486R482-H484 PolarHBondContact O-CD2 2.83Å; R482-H484 PolarHBondContact O-N 3.43Å; H484-I486 PolarHBondContact O-N 3.02Å
485T38.2Very low37Very low130 Ų130151.2 Ų151.280%0.79878%0.777SS**  trans-68.398.4170.7-49.80000109.2Q483 I487Q483-T485 PolarHBondContact O-N 3.01Å; T485-I487 PolarHBondContact O-N 2.96Å; T485-I487 VanDerWaalsContact O-N 3.1Å
486I33.1Very low36.5Very low132 Ų132150.9 Ų150.968%0.67778%0.784SS**  trans-68108.5178.1-58.2175.2000108.7H484H484-I486 PolarHBondContact O-N 3.02Å
487I30.9Very low35.2Very low139 Ų139150 Ų15071%0.71378%0.782SS**  trans-79128.5170.9-55.7177000107.2T485 K489T485-I487 PolarHBondContact O-N 2.96Å; T485-I487 VanDerWaalsContact O-N 3.1Å; I487-K489 PolarHBondContact O-N 3.21Å
488A38.1Very low34.4Very low93 Ų93149 Ų14977%0.76979%0.787SS**THydrogen-bonded Turntrans-73.449.8-165.500000115.8
489K39.5Very low34.3Very low204 Ų204151.6 Ų151.689%0.88779%0.792SS**THydrogen-bonded Turntrans-131.56.3172.9-72-164.3172.9-172.80114.8I487I487-K489 PolarHBondContact O-N 3.21Å
490E29.1Very low33.8Very low176 Ų176148.4 Ų148.482%0.82279%0.791SS**  trans-118.51.9-177.3-157.5157.8-149.400114.6F492E490-F492 PolarHBondContact O-N 3.06Å
491C33.7Very low33.4Very low97 Ų97149 Ų14966%0.65580%0.797SS**  trans-73.423.8-178-59.20000115.6
492F30.7Very low32.6Very low202 Ų202150 Ų15089%0.88680%0.801SS**  trans-119.345.3-177.2-90-70.2000114.1E490E490-F492 PolarHBondContact O-N 3.06Å
493K30.3Very low32Very low187 Ų187144.5 Ų144.581%0.81379%0.794SS**SBendtrans-139.6113.4151.7-70.3-167.9179.1178.30109.9L495K493-L495 PolarHBondContact O-N 2.91Å
494P31Very low31.4Very low126 Ų126144.7 Ų144.782%0.81879%0.792SS**PPolyproline II helixtrans-65.8129.9171.527.9-32.9000109.3S496P494-S496 PolarHBondContact O-N 3.24Å
495L31.9Very low31.2Very low177 Ų177143.1 Ų143.193%0.92779%0.793SS**PPolyproline II helixtrans-74.3116.1176.9-78.7168.4000109.8K493 S497K493-L495 PolarHBondContact O-N 2.91Å; L495-S497 PolarHBondContact O-N 3.43Å
496S28.4Very low30.6Very low108 Ų108143.5 Ų143.576%0.75579%0.79SS**PPolyproline II helixtrans-63.5123.6-179.9-51.40000112P494P494-S496 PolarHBondContact O-N 3.24Å
497S26Very low30.4Very low105 Ų105145.3 Ų145.373%0.73480%0.798SS**  trans40.386.7149.461.20000117.2L495L495-S497 PolarHBondContact O-N 3.43Å
498S30.7Very low30.2Very low127 Ų127145.6 Ų145.689%0.88880%0.799SS**  trans-88.3142.1144.1-169.60000108.7
499V31.1Very low29.9Very low109 Ų109145 Ų14566%0.66180%0.795SS**  trans-100.3154.3-168.8168.30000111.4
500D29.3Very low29.4Very low151 Ų151142.1 Ų142.181%0.80779%0.789SS**  trans5684.7168.5-65-15.3000118.4
501C29.7Very low29.4Very low134 Ų134139.9 Ų139.991%0.90579%0.787SS**  trans-150.939.3154.2-122.60000113.9
502E28.4Very low29.2Very low186 Ų186143.4 Ų143.487%0.86979%0.794SS**  trans-85.7124.7171.7-168.5174.5-128.900111
503P27.5Very low29.1Very low104 Ų104139.2 Ų139.268%0.67579%0.789SS**  trans-76.6126.5-178.830-33.5000111.4V505P503-V505 PolarHBondContact O-N 3.29Å
504K26Very low29.1Very low195 Ų195135.9 Ų135.985%0.84879%0.789SS**  trans-62.595177-72.3-175.5176.3-178.90112.4N506K504-N506 PolarHBondContact O-N 2.94Å
505V31.1Very low28.8Very low124 Ų124136.5 Ų136.575%0.75279%0.791SS**  trans-78.3103.2160.9-178.20000107.5P503 M507P503-V505 PolarHBondContact O-N 3.29Å; V505-M507 PolarHBondContact O-N 2.82Å
506N26.6Very low28.6Very low137 Ų137135.1 Ų135.173%0.73379%0.785SS**  trans-67.893176-75.1-9.1000110K504 I508K504-N506 PolarHBondContact O-N 2.94Å; N506-I508 PolarHBondContact O-N 3.36Å
507M27.6Very low28.6Very low171 Ų171138.1 Ų138.184%0.84279%0.791SS**  trans-67104.3164.1-69.8-156.375.300109.1V505 A509V505-M507 PolarHBondContact O-N 2.82Å; M507-A509 PolarHBondContact O-N 3.07Å; M507-A509 VanDerWaalsContact O-N 3.14Å
508I27.9Very low28.6Very low144 Ų144139 Ų13974%0.73879%0.788SS**  trans-69.7103.7161.9-61.5172.5000105.5N506 D510N506-I508 PolarHBondContact O-N 3.36Å; I508-D510 PolarHBondContact O-N 3.12Å
509A31.6Very low28.3Very low81 Ų81141.1 Ų141.167%0.66978%0.784SS**  trans-73.9108.5172.600000108.5M507 V511M507-A509 PolarHBondContact O-N 3.07Å; M507-A509 VanDerWaalsContact O-N 3.14Å; A509-V511 WeakPolarHBondContact O-CG2 3.49Å; A509-V511 PolarHBondContact O-N 3.42Å; A509-V511 VanDerWaalsContact O-N 3.09Å
510D28.2Very low28.1Very low143 Ų143140.3 Ų140.377%0.76579%0.788SS**  trans-67.4104.8173.5-80.2-47.4000109.9I508 H512I508-D510 PolarHBondContact O-N 3.12Å; D510-H512 PolarHBondContact O-N 3.12Å
511V30.7Very low28Very low130 Ų130140 Ų14079%0.78879%0.787SS**  trans-79.867.4-173.8-170.40000111.1A509A509-V511 WeakPolarHBondContact O-CG2 3.49Å; A509-V511 PolarHBondContact O-N 3.42Å; A509-V511 VanDerWaalsContact O-N 3.09Å
512H29.1Very low27.8Very low171 Ų171140.6 Ų140.679%0.79279%0.786SS**  trans-144.283.7175.7-74.3-51.9000113.6D510D510-H512 PolarHBondContact O-N 3.12Å
513S27.8Very low27.8Very low114 Ų114137.5 Ų137.580%0.79778%0.78SS**SBendtrans173.2162.4131.1-81.60000114
514S30.4Very low27.8Very low116 Ų116138.6 Ų138.681%0.81179%0.785SS**  trans56.380.3160470000118N516S514-N516 PolarHBondContact O-N 3.41Å
515T25.7Very low27.9Very low139 Ų139134.1 Ų134.185%0.85378%0.777SS**  trans-72.5105.9142.848.10000109.8
516N27.1Very low27.7Very low149 Ų149134.4 Ų134.480%0.79778%0.782SS**  trans-164.8105.8144.5-110.6-5.5000108.6S514S514-N516 PolarHBondContact O-N 3.41Å
517L29.1Very low27.8Very low171 Ų171133.3 Ų133.390%0.89579%0.785SS**  trans-111.581176.4-137.6168.5000107
518D24.2Very low27.9Very low124 Ų124133.7 Ų133.766%0.66378%0.782SS**  trans-69140.1168.9-105-55.8000109.9
519Q25.4Very low27.9Very low170 Ų170132.9 Ų132.979%0.79479%0.786SS**SBendtrans57.2118.6156.7-58.3-176.11800120.7
520A26.6Very low28Very low92 Ų92136.7 Ų136.776%0.7679%0.794SS**  trans84.6117.613400000120.9
521D26.8Very low28.1Very low146 Ų146137.9 Ų137.978%0.78180%0.801SS**  trans22.2102.6147.8-71.2-56.5000120.6V523D521-V523 HydrophobicContact CB-CG2 4.3Å; D521-V523 PolarHBondContact O-N 3.46Å; D521-V523 VanDerWaalsContact O-N 3.07Å
522V26.6Very low28Very low146 Ų146136 Ų13689%0.88579%0.793SS**  trans-7391.1155.2-179.80000109.5
523V28.1Very low28.2Very low121 Ų121133.9 Ų133.973%0.73379%0.793SS**  trans-126.568.8165.7-169.20000110.5D521D521-V523 HydrophobicContact CB-CG2 4.3Å; D521-V523 PolarHBondContact O-N 3.46Å; D521-V523 VanDerWaalsContact O-N 3.07Å
524T28Very low28.4Very low127 Ų127139.3 Ų139.378%0.77980%0.797SS**  trans-136.3123.8158.2-57.20000109.1
525S26.8Very low28.4Very low100 Ų100141 Ų14170%0.69980%0.797SS**  trans-74.2158.8-179.3390000111.8S527S525-S527 PolarHBondContact O-N 3.1Å; S525-S527 VanDerWaalsContact O-N 3.08Å
526P27.7Very low28.8Very low131 Ų131138 Ų13885%0.85179%0.787SS**  trans-69.1109.4-169.526.3-35.4000112.9
527S29.3Very low29.1Very low113 Ų113135.8 Ų135.879%0.7978%0.78SS**PPolyproline II helixtrans-74.4137.5164.344.20000110.5S525S525-S527 PolarHBondContact O-N 3.1Å; S525-S527 VanDerWaalsContact O-N 3.08Å
528K28.3Very low29Very low179 Ų179134.7 Ų134.778%0.77878%0.775SS**PPolyproline II helixtrans-75.1151.7-176.5-66.7168.3-178.8170.60110.9L530K528-L530 PolarHBondContact O-N 3.05Å
529P29.1Very low29.4Very low127 Ų127138 Ų13883%0.82578%0.784SS**PPolyproline II helixtrans-60.6129.1166.527.7-34.2000109.6
530L32.8Very low29.6Very low161 Ų161138.3 Ų138.384%0.84378%0.783SS**  trans-128.3135.1175-80.7171.2000109.2K528 S532K528-L530 PolarHBondContact O-N 3.05Å; L530-S532 PolarHBondContact O-N 2.6Å
531N29.7Very low29.7Very low169 Ų169139.2 Ų139.290%0.90478%0.782SS**  trans-73.1120.3-179.2-67-15.7000110.6
532S30.1Very low29.9Very low90 Ų90138.2 Ų138.263%0.62978%0.781SS**  trans-127.3112.6158.7145.40000102.6L530L530-S532 PolarHBondContact O-N 2.6Å
533T32.6Very low30.1Very low127 Ų127141 Ų14178%0.77978%0.777SS**  40.691.462.7-54.40000108.9D535T533-D535 PolarHBondContact O-N 3Å
534Y31.7Very low30Very low228 Ų228142.1 Ų142.189%0.89478%0.779SS**  trans-54.2105.2178.3-92.1-100.4000109.6A536Y534-A536 PolarHBondContact O-N 3.13Å
535D30.8Very low30.1Very low152 Ų152140.7 Ų140.781%0.81377%0.773SS**  trans-80.481.6171.9-154.118.2000106.3T533T533-D535 PolarHBondContact O-N 3Å
536A34.9Very low30Very low76 Ų76143.6 Ų143.663%0.62878%0.781SS**  trans-64126.117300000107.2Y534 D538Y534-A536 PolarHBondContact O-N 3.13Å; A536-D538 PolarHBondContact O-N 3.16Å; A536-D538 VanDerWaalsContact O-N 3.08Å
537P32.9Very low30.3Very low102 Ų102142 Ų14266%0.66277%0.772SS**  trans-62.1118.6-167.423.3-33.7000110.9F539P537-F539 WeakPolarHBondContact O-CD2 3.42Å; P537-F539 PolarHBondContact O-N 3.21Å
538D27.2Very low30.2Very low148 Ų148143.4 Ų143.479%0.79178%0.777SS**  trans-52.1110.3167.5-105.8-13.4000108.5A536 K540A536-D538 PolarHBondContact O-N 3.16Å; A536-D538 VanDerWaalsContact O-N 3.08Å; D538-K540 PolarHBondContact O-N 3.46Å
539F31.6Very low30.1Very low194 Ų194139.6 Ų139.685%0.85177%0.773SS**  trans-72.764.8170.2-83.9-91.7000110.1P537 C541P537-F539 WeakPolarHBondContact O-CD2 3.42Å; P537-F539 PolarHBondContact O-N 3.21Å; F539-C541 PolarHBondContact O-N 2.94Å
540K31Very low29.9Very low175 Ų175141.4 Ų141.476%0.76177%0.77SS**  trans-58.4130.2155.1-81.4-173.6174.4179.50107.7D538 V542D538-K540 PolarHBondContact O-N 3.46Å; K540-V542 PolarHBondContact O-N 3.05Å
541C27.2Very low29.5Very low111 Ų111139.1 Ų139.175%0.7577%0.774SS**  trans-57.8109.2-172.8-54.40000111.4F539 Y543F539-C541 PolarHBondContact O-N 2.94Å; C541-Y543 PolarHBondContact O-N 3.33Å
542V32.3Very low29.4Very low125 Ų125136.4 Ų136.476%0.75876%0.76SS**  trans-78.468.8162.2-172.90000108.1K540K540-V542 PolarHBondContact O-N 3.05Å
543Y29.8Very low29.3Very low206 Ų206140.9 Ų140.981%0.80877%0.771SS**  trans-117.558.2157.4-84.7-71.7000107.5C541 C545C541-Y543 PolarHBondContact O-N 3.33Å; Y543-C545 VanDerWaalsContact C-N 3.25Å; Y543-C545 PolarHBondContact O-N 3.46Å
544D26.3Very low29.2Very low143 Ų143142.4 Ų142.477%0.76577%0.774SS**  trans-65.991165.3-71.6-40.2000107.9
545C30Very low29Very low97 Ų97140.3 Ų140.366%0.65577%0.769SS**  trans-121.953.5174.1-73.10000110.2Y543 S547Y543-C545 VanDerWaalsContact C-N 3.25Å; Y543-C545 PolarHBondContact O-N 3.46Å; C545-S547 PolarHBondContact O-N 2.86Å
546D25.3Very low28.8Very low162 Ų162140.7 Ų140.787%0.86677%0.771SS**  trans-62.684.5154.6-89.1-27.1000108.4
547S33.2Very low28.4Very low96 Ų96144.5 Ų144.567%0.67178%0.78SS**  trans-138.979.4176.5-72.40000108C545 S549C545-S547 PolarHBondContact O-N 2.86Å; S547-S549 PolarHBondContact O-N 2.69Å
548T27.3Very low28.2Very low143 Ų143150.5 Ų150.588%0.87779%0.789SS**  trans-74.983.2-171.452.80000112.2
549S26.1Very low28.3Very low100 Ų100148.7 Ų148.770%0.69979%0.786SS**  trans-157.3131.9168.153.50000113.1S547S547-S549 PolarHBondContact O-N 2.69Å
550Q24.5Very low28.2Very low164 Ų164146.2 Ų146.277%0.76678%0.78SS**  trans49.977170.2-63.1-158-74.800117.7D552Q550-D552 PolarHBondContact NE2-OD2 2.87Å; Q550-D552 PolarHBondContact O-N 3.36Å
551A25.5Very low28.1Very low113 Ų113144.6 Ų144.693%0.93478%0.778SS**  trans-87.457146.500000110.4
552D26.2Very low28.1Very low113 Ų113144.2 Ų144.260%0.60477%0.769SS**  trans-101.8129.9176.2-78.1-47.3000111.5Q550 L554Q550-D552 PolarHBondContact NE2-OD2 2.87Å; Q550-D552 PolarHBondContact O-N 3.36Å; D552-L554 PolarHBondContact O-N 3.13Å
553E28Very low27.9Very low184 Ų184143.7 Ų143.786%0.8677%0.771SS**  trans35.466.4157.3-54.2-157.1127.500120.3
554L31.5Very low28Very low159 Ų159140.8 Ų140.883%0.83277%0.767SS**  trans-110.835.9150.4-72.5179.3000112.9D552D552-L554 PolarHBondContact O-N 3.13Å
555K26.4Very low28.1Very low184 Ų184142.4 Ų142.480%0.878%0.776SS**SBendtrans-99.4131.4164.1-69.7178.5-178.9172.40108.6
556N27.9Very low28Very low159 Ų159142 Ų14285%0.8578%0.775SS**  trans81.344.2175.7-44.2-44.4000117.8
557L26.9Very low28.2Very low157 Ų157140.2 Ų140.282%0.82277%0.77SS**  trans-100.698.7149.3-72.1177.1000109.6
558R27.2Very low28Very low227 Ų227141.8 Ų141.886%0.85778%0.775SS**  trans-69.6140.2159.2-105.6-176.1173-171.2-3.5107.6I560R558-I560 PolarHBondContact O-N 3.05Å; R558-I560 VanDerWaalsContact O-N 3.12Å
559P29.5Very low28Very low111 Ų111141.3 Ų141.372%0.72177%0.767SS**  trans-63116.9169.326.7-32.6000109I561P559-I561 PolarHBondContact O-N 2.92Å
560I30.3Very low28.1Very low142 Ų142142 Ų14273%0.72877%0.767SS**  trans-79.8109.1165.3-61.1177.3000105.6R558 D562R558-I560 PolarHBondContact O-N 3.05Å; R558-I560 VanDerWaalsContact O-N 3.12Å; I560-D562 WeakPolarHBondContact CG2-OD1 3.38Å; I560-D562 PolarHBondContact O-N 3.35Å
561I28.7Very low28.3Very low141 Ų141139.9 Ų139.972%0.72376%0.76SS**  trans-92.286.3173.7-55.8174.4000106.4P559 S563P559-I561 PolarHBondContact O-N 2.92Å; I561-S563 PolarHBondContact O-N 2.71Å; I561-S563 VanDerWaalsContact O-N 3.09Å
562D27.9Very low28.4Very low103 Ų103141.5 Ų141.555%0.55175%0.753SS**  trans-65.6110.7174.4-75.8-36.5000109.2I560 I564I560-D562 WeakPolarHBondContact CG2-OD1 3.38Å; I560-D562 PolarHBondContact O-N 3.35Å; D562-I564 PolarHBondContact O-N 3.21Å; D562-I564 VanDerWaalsContact O-N 3.11Å
563S28.1Very low28.4Very low113 Ų113142.4 Ų142.479%0.7976%0.758SS**  trans-78.296.4-175.2-61.10000110.2I561I561-S563 PolarHBondContact O-N 2.71Å; I561-S563 VanDerWaalsContact O-N 3.09Å
564I31.7Very low28.4Very low145 Ų145139.4 Ų139.474%0.74476%0.755SS**  trans-122.595169.410.6175.3000109.6D562 S566D562-I564 PolarHBondContact O-N 3.21Å; D562-I564 VanDerWaalsContact O-N 3.11Å; I564-S566 PolarHBondContact O-N 3.14Å
565D28.1Very low28.4Very low178 Ų178138 Ų13895%0.95275%0.753SS**  trans-66.284.2165.4-75.2-54.1000109.3
566S27.9Very low28.2Very low89 Ų89134.8 Ų134.862%0.62275%0.75SS**  trans-142.8130.2177.2-173.10000110.6I564 V568I564-S566 PolarHBondContact O-N 3.14Å; S566-V568 PolarHBondContact O-N 3.11Å
567T28.4Very low28Very low124 Ų124136.9 Ų136.976%0.76175%0.754SS**  trans-53.2117.6179.937.30000112.2N569T567-N569 VanDerWaalsContact C-N 3.31Å; T567-N569 PolarHBondContact O-N 3.12Å
568V29.5Very low27.8Very low128 Ų128132 Ų13278%0.77674%0.742SS**  trans-70.588.4171.2-176.70000109.3S566 T570S566-V568 PolarHBondContact O-N 3.11Å; V568-T570 HydrophobicContact CG1-CG2 4.16Å; V568-T570 PolarHBondContact O-N 2.88Å; V568-T570 VanDerWaalsContact O-N 3.14Å
569N27.1Very low27.8Very low133 Ų133127.2 Ų127.271%0.71174%0.744SS**  trans-64.9106.8160.7-96.9-20000108T567 I571T567-N569 VanDerWaalsContact C-N 3.31Å; T567-N569 PolarHBondContact O-N 3.12Å; N569-I571 HydrophobicContact CB-CG1 4.39Å; N569-I571 PolarHBondContact O-N 3.17Å
570T28.5Very low27.6Very low115 Ų115128.9 Ų128.971%0.70675%0.746SS**  trans-73.969.7176.353.90000111.1V568 N572V568-T570 HydrophobicContact CG1-CG2 4.16Å; V568-T570 PolarHBondContact O-N 2.88Å; V568-T570 VanDerWaalsContact O-N 3.14Å; T570-N572 PolarHBondContact O-N 2.98Å
571I29.1Very low27.2Very low119 Ų119127.9 Ų127.961%0.6175%0.752SS**  trans-80.694.9167-58.3176.5000106.7N569 D573N569-I571 HydrophobicContact CB-CG1 4.39Å; N569-I571 PolarHBondContact O-N 3.17Å; I571-D573 HydrophobicContact CG2-CB 4.06Å; I571-D573 VanDerWaalsContact CG2-OD2 3.27Å; I571-D573 WeakPolarHBondContact CG2-OD2 3.12Å; I571-D573 PolarHBondContact O-N 3.17Å
572N26.9Very low27.3Very low148 Ų148127.8 Ų127.879%0.79176%0.757SS**  trans-75.752.8176.4-80.3-0.2000111.9T570 C574T570-N572 PolarHBondContact O-N 2.98Å; N572-C574 PolarHBondContact O-N 3.22Å
573D26.8Very low27.1Very low132 Ų132126.9 Ų126.971%0.70677%0.765SS**  trans-75.273.7170-79.4-18.9000109.5I571 T575I571-D573 HydrophobicContact CG2-CB 4.06Å; I571-D573 VanDerWaalsContact CG2-OD2 3.27Å; I571-D573 WeakPolarHBondContact CG2-OD2 3.12Å; I571-D573 PolarHBondContact O-N 3.17Å; D573-T575 PolarHBondContact O-N 2.84Å
574C28.4Very low26.8Very low120 Ų120130.8 Ų130.881%0.81177%0.77SS**  trans-69.865.9174.3-176.40000110.9N572 T576N572-C574 PolarHBondContact O-N 3.22Å; C574-T576 PolarHBondContact O-N 3.27Å
575T30.5Very low26.8Very low129 Ų129131.8 Ų131.879%0.79178%0.775SS**  trans-67.8120.8170.6-57.10000108.3D573D573-T575 PolarHBondContact O-N 2.84Å
576T22.9Very low26.6Very low118 Ų118128.3 Ų128.372%0.72477%0.765SS**  trans-66.6153.2-171.948.90000114C574C574-T576 PolarHBondContact O-N 3.27Å
577Q22.9Very low26.2Very low202 Ų202131.3 Ų131.394%0.94477%0.768SS**  trans85.1131.7150-163.2-179.942.600117.9
578G23.1Very low26.3Very low54 Ų54131.2 Ų131.256%0.55777%0.77SS**  trans128.793.3158.600000115N580G578-N580 PolarHBondContact O-N 2.88Å; G578-N580 VanDerWaalsContact O-N 3.12Å
579S26.7Very low26.1Very low128 Ų128131.7 Ų131.790%0.89577%0.768SS**  trans-63.6108.9165.6-48.70000109.6
580N26.1Very low26Very low146 Ų146132.3 Ų132.378%0.78177%0.772SS**  trans-138.6136.8177.9-84.3-56.5000111.8G578G578-N580 PolarHBondContact O-N 2.88Å; G578-N580 VanDerWaalsContact O-N 3.12Å
581S22.6Very low26.1Very low120 Ų120135.6 Ų135.684%0.83978%0.779SS**PPolyproline II helixtrans-74129.7173.6430000111.2
582V30Very low25.9Very low139 Ų139137.9 Ų137.984%0.84279%0.789SS**PPolyproline II helixtrans-84.2120.3170.5179.50000108.8
583A24.7Very low26.1Very low85 Ų85139.1 Ų139.170%0.70279%0.792SS**PPolyproline II helixtrans-86138.5174.700000110.9I585A583-I585 PolarHBondContact O-N 3.09Å
584H21.5Very low26.1Very low194 Ų194142.1 Ų142.190%0.89880%0.799SS**PPolyproline II helixtrans-69.4128.3176.5-58.3-80.8000111.6
585I31.3Very low26.4Very low166 Ų166142.1 Ų142.185%0.85180%0.797SS**  trans-128.2128.9160.7-57.3-178.2000106.8A583A583-I585 PolarHBondContact O-N 3.09Å
586S23.4Very low26.3Very low106 Ų106145.6 Ų145.674%0.74180%0.802SS**PPolyproline II helixtrans-85.7149.3-164.7510000114.5
587H20.3Very low26.5Very low151 Ų151148.9 Ų148.970%0.69981%0.809SS**PPolyproline II helixtrans-57.5141.9171.8-55.8-96.5000113.2
588P29.5Very low26.7Very low123 Ų123146.9 Ų146.980%0.79980%0.804SS**PPolyproline II helixtrans-79.6145.8147.133.9-29.7000110.2
589N25.2Very low26.8Very low137 Ų137153 Ų15373%0.73382%0.818SS**  trans-88.4176.5176.5-65-48.8000112.3
590D26Very low27Very low146 Ų146155.8 Ų155.878%0.78182%0.817SS**  trans65.4105.2151.9-55.3-44000118.6
591E30.6Very low26.9Very low185 Ų185157.5 Ų157.586%0.86482%0.82SS**  -152.5148.398.5-121.9-173.8177.500113.3
592M24.6Very low27.5Very low166 Ų166157.7 Ų157.782%0.81882%0.818SS**  trans-95.3115.7-179-73.5165.943.200111.4
593M31.9Very low27.6Very low175 Ų175158.7 Ų158.786%0.86282%0.819SS**  trans-121.8119.3161.9-79.8-67.6169.100111
594K25.8Very low27.7Very low195 Ų195158.1 Ų158.185%0.84882%0.815SS**PPolyproline II helixtrans-89.7158.1176.6-96.6-170.4174.7-173.60111.5
595P35.4Very low28.2Very low119 Ų119159.8 Ų159.877%0.77382%0.815SS**PPolyproline II helixtrans-81.2163.1-152.132.2-38000114
596K28.9Very low28.2Very low203 Ų203160.9 Ų160.988%0.88382%0.816SS**PPolyproline II helixtrans-91.9123.5154.9-77.1-166.5172.3-171.90109.8
597E25.6Very low28.3Very low187 Ų187163.8 Ų163.887%0.87482%0.822SS**PPolyproline II helixtrans-61.6137.6152.1-69.9169.1116.300108.9
598N27.9Very low28.8Very low159 Ų159163.5 Ų163.585%0.8583%0.826SS**  trans-151.2116.4147.6-108.3-9.9000106.2
599E25.7Very low28.6Very low183 Ų183162.5 Ų162.586%0.85582%0.822SS**  trans-60.2144168.1-59167.9117.600109.2
600H29.3Very low28.7Very low186 Ų186167.3 Ų167.386%0.86183%0.83SS**  trans-169.7120.4135.1-102.674.8000107.1P602H600-P602 WeakPolarHBondContact O-CD 3.46Å
601Q24.2Very low28.7Very low183 Ų183166.8 Ų166.886%0.85583%0.832SS**PPolyproline II helixtrans-69.8129167.3-74.4-179.4-67.700108.9
602P35.4Very low28.6Very low123 Ų123164 Ų16480%0.79983%0.827SS**PPolyproline II helixtrans-82117.3157.911.85.2000108.2H600H600-P602 WeakPolarHBondContact O-CD 3.46Å
603D32.2Very low28.7Very low160 Ų160162.3 Ų162.386%0.85683%0.826SS**PPolyproline II helixtrans-60.8152.9168.6-88.3-51.5000111.2
604A28.3Very low28.5Very low74 Ų74161.4 Ų161.461%0.61282%0.824SS**SBendtrans-72157.7-174.700000113.3
605Y31.2Very low28.6Very low229 Ų229159.2 Ų159.290%0.89882%0.817SS**  trans75.783.6170.5-49.2-77.4000117.8
606E30.8Very low28Very low189 Ų189161.3 Ų161.388%0.88382%0.822SS**  -145128.1114.5-138176.7-158.300112.2
607L26.5Very low28.1Very low166 Ų166158.5 Ų158.587%0.86982%0.816SS**  trans-87.5124.9171.7-96.6158.6000108.6
608N30.1Very low28Very low145 Ų145154.2 Ų154.278%0.77581%0.807SS**  trans-156.3127.7150-106.6-50.9000113.5R610N608-R610 PolarHBondContact O-N 3.39Å
609S24.8Very low27.8Very low103 Ų103154.3 Ų154.372%0.7281%0.808SS**  trans-73.1111.4179.651.30000111.7
610R28.3Very low28Very low238 Ų238152.5 Ų152.590%0.89881%0.809SS**  trans-98.891.7160.7-77.9-167.9173.2-156.9-0.5110.4N608 T612N608-R610 PolarHBondContact O-N 3.39Å; R610-T612 PolarHBondContact O-N 2.96Å
611V24.9Very low27.8Very low135 Ų135148 Ų14882%0.81880%0.804SS**  trans-85.194.8165.7179.10000108.2
612T29.4Very low27.7Very low125 Ų125147.1 Ų147.177%0.76780%0.804SS**  trans-150.2101.5166.36.50000112.7R610R610-T612 PolarHBondContact O-N 2.96Å
613V26.7Very low28.3Very low132 Ų132146.6 Ų146.680%0.880%0.801SS**  trans-4.5126.1151.4-1730000117.6
614L27.6Very low28.2Very low155 Ų155147 Ų14781%0.81280%0.8SS**  trans-15595.9145.5-159.371.9000106.1
615E27.6Very low27.8Very low149 Ų149151.6 Ų151.670%0.69681%0.806SS**  62.7109.783.8-167.4168.3-147.700113.1N617E615-N617 PolarHBondContact O-N 3.08Å
616N22.3Very low27.4Very low163 Ų163147.3 Ų147.387%0.87279%0.794SS**  trans-66.5125179.6-64.8-26000111
617N30.4Very low27.2Very low145 Ų145144.6 Ų144.678%0.77579%0.785SS**  trans-145.1144.5160.6-89.2-66.8000111.5E615E615-N617 PolarHBondContact O-N 3.08Å
618S23.6Very low27.1Very low96 Ų96145.7 Ų145.767%0.67179%0.786SS**  trans-75.5166.6-169-43.50000114.6
619D24.5Very low26.9Very low162 Ų162146.3 Ų146.387%0.86679%0.789SS**  trans37.6101.4148.5-56.7-37.1000118.1
620T29.1Very low27.2Very low145 Ų145147.4 Ų147.489%0.8979%0.792SS**  trans-117.4107.1162.5-53.70000110.8
621A26.2Very low27Very low91 Ų91145.1 Ų145.175%0.75279%0.788SS**  trans-85.4155.4172.100000112.5
622L22.8Very low26.9Very low164 Ų164144.6 Ų144.686%0.85979%0.791SS**  trans-32.2168.1162.4-54.9167.3000116.2
623P47.2Very low27Very low112 Ų112142.5 Ų142.573%0.72779%0.794SS**  cis-141.3-176.1-48.541.4-25.2000111.9
624M29Very low27Very low170 Ų170145.3 Ų145.384%0.83780%0.795SS**  trans157134.5146.2-87.7179.970.500108.2
625K20.6Very low26.8Very low169 Ų169145 Ų14574%0.73580%0.795SS**  84.4128.451.5-102.5-156.4169.5-147.60115.2
626H22.4Very low26.8Very low139 Ų139145.5 Ų145.564%0.64480%0.802SS**  trans95.1141.6160.6-92.2-83000121.4
627D27.4Very low26.8Very low132 Ų132144.2 Ų144.271%0.70680%0.799SS**  trans61.5120.3160.1-48.3-25.6000116.8
628E23.4Very low26.7Very low190 Ų190142.4 Ų142.489%0.88880%0.798SS**  49.398.353.1-71.8-132.9125.800114.1
629D26.9Very low26.6Very low157 Ų157147 Ų14784%0.8481%0.809SS**  -170.9170.3112-140.5-27.9000113.7
630T30.3Very low26.8Very low126 Ų126144.9 Ų144.977%0.77381%0.807SS**  trans76.9115.7159.3-6.90000120.3
631K24.4Very low26.5Very low191 Ų191146.6 Ų146.683%0.8381%0.805SS**  trans-74.3166.3159.1-71.9167.1175.61630112
632S24.1Very low27.5Very low124 Ų124147.6 Ų147.687%0.86780%0.804SS**  trans95119.1148.981.50000118.6
633G29.9Very low27.4Very low80 Ų80143.1 Ų143.183%0.82580%0.797SS**  trans-150.7109.6161.100000107
634K27.6Very low26.6Very low191 Ų191143.7 Ų143.783%0.8380%0.804SS**  trans-93.4150.3-177-78.9-179176.6176.20111.3
635N22.5Very low26.2Very low150 Ų150145.1 Ų145.180%0.80281%0.808SS**  trans4120.7151.2-48.66.1000116.6
636N28.4Very low26.5Very low158 Ų158146 Ų14685%0.84582%0.815SS**  trans-116.8112.8149.1-90.9-28.4000108.8
637V21.5Very low26.7Very low136 Ų136144.6 Ų144.682%0.82482%0.821SS**  trans-108.2120.2160.9170.90000105.9
638S28Very low26.6Very low108 Ų108145.7 Ų145.776%0.75583%0.825SS**  trans-130.6123.2173.8-64.90000109
639Q21.6Very low26.7Very low192 Ų192142.8 Ų142.890%0.89782%0.823SS**  trans-87.1146.4170.5-65.6175.2-40.600109.6
640S30.4Very low26.3Very low117 Ų117143.7 Ų143.782%0.81882%0.822SS**  trans-148.4107.5164.558.40000111.2
641E22.6Very low25.9Very low182 Ų182145.3 Ų145.385%0.8583%0.825SS**  trans-62.4177.2158.1-84.7-166115.800112.2
642P45.4Very low25.9Very low111 Ų111140.9 Ų140.972%0.72182%0.818SS**  cis-140.3-179.7-40.338.7-22.9000112.9
643G22.3Very low25.7Very low70 Ų70143 Ų14372%0.72282%0.82SS**  trans75.3111.2133.700000120.4
644S29.6Very low25.8Very low124 Ų124145.1 Ų145.187%0.86782%0.821SS**  trans-166.687.8141.714.90000111.2Q646S644-Q646 PolarHBondContact O-N 3.34Å
645E21.1Very low25.8Very low200 Ų200140.1 Ų140.194%0.93582%0.816SS**  trans-77.8105.7162.3-70.9-169.4135.600109.2
646Q26.5Very low26.2Very low188 Ų188138.3 Ų138.388%0.87982%0.815SS**  trans-146119.6160.9-116.4169.536.600112.5S644S644-Q646 PolarHBondContact O-N 3.34Å
647S26.4Very low26.1Very low110 Ų110138.5 Ų138.577%0.76982%0.816SS**  trans-22.8131.9175.150.10000118.8
648I25Very low26.5Very low154 Ų154137.5 Ų137.579%0.7981%0.81SS**  trans-17.9117.4162.3-56.2167.9000114.7
649P25.2Very low26.5Very low129 Ų129140.7 Ų140.784%0.83881%0.81SS**  trans-79120.8166.831.2-31.6000110.7
650H19.6Very low26.7Very low176 Ų176138.4 Ų138.482%0.81580%0.804SS**  trans-122.475.6175.6-172.2-59.6000110.4
651L22.5Very low26.6Very low161 Ų161141 Ų14184%0.84381%0.808SS**  trans-160.6124.7179.5-120.6166.1000114
652S23.2Very low26.7Very low98 Ų98141.5 Ų141.569%0.68581%0.81SS**  trans134.7115133-58.20000114.2S654S652-S654 PolarHBondContact O-N 3.13Å
653D21Very low25.9Very low169 Ų169140.9 Ų140.990%0.90481%0.809SS**  trans-62.9119.9166.6-58.8-88.5000111.2
654S31.6Very low26.2Very low123 Ų123143 Ų14386%0.8681%0.81SS**  trans-94.1100.4162.4-69.60000109.1S652S652-S654 PolarHBondContact O-N 3.13Å
655A26.7Very low26Very low86 Ų86145.9 Ų145.971%0.71181%0.809SS**  trans-68.8169175.900000112.2
656S31.2Very low26.2Very low113 Ų113140.2 Ų140.279%0.7980%0.797SS**  trans67.770.3170.265.90000118.2
657N27.7Very low26.3Very low161 Ų161137 Ų13786%0.86179%0.79SS**  -133109.3118.8-164-11.2000110
658V29.2Very low26.2Very low116 Ų116142.5 Ų142.570%0.70379%0.794SS**  trans-140.387.3-172.1-169.10000110.6
659K27.6Very low26.3Very low175 Ų175140.8 Ų140.876%0.76179%0.791SS**  175.6150.3123.8-97.7157.5-170.6178.20114.2
660N25.9Very low26.4Very low144 Ų144142.6 Ų142.677%0.7779%0.792SS**SBendtrans63.682154.8-57.7-3000118.4
661L29.2Very low26.7Very low172 Ų172139.1 Ų139.190%0.90178%0.783SS**  -161.948.7110.7-106.7163.3000112.8S663L661-S663 PolarHBondContact O-N 3.46Å
662Q23Very low26.9Very low192 Ų192140.2 Ų140.290%0.89778%0.781SS**  trans-8887.9173.1-167.1173.524.900110.4
663S29.2Very low27.2Very low98 Ų98141.8 Ų141.869%0.68579%0.789SS**  trans-92.7144.5154.367.30000108.8L661 Q665L661-S663 PolarHBondContact O-N 3.46Å; S663-Q665 PolarHBondContact O-N 2.84Å
664P28.2Very low27.7Very low114 Ų114138.6 Ų138.674%0.7478%0.776SS**  trans-84.3128-156.4-12.330000112.7A666P664-A666 PolarHBondContact O-N 3.15Å
665Q25.6Very low27.4Very low184 Ų184139 Ų13986%0.8677%0.768SS**  trans-63.591.2150.2-80.2-171-15.500108.2S663 T667S663-Q665 PolarHBondContact O-N 2.84Å; Q665-T667 PolarHBondContact O-N 3.13Å
666A26.2Very low27.5Very low82 Ų82141.6 Ų141.668%0.67877%0.77SS**  trans-76.265.417600000110.3P664 R668P664-A666 PolarHBondContact O-N 3.15Å; A666-R668 PolarHBondContact O-N 2.94Å
667T27.4Very low27.3Very low120 Ų120143 Ų14374%0.73677%0.769SS**  trans-65.776.3169.3-53.20000108.6Q665 T669Q665-T667 PolarHBondContact O-N 3.13Å; T667-T669 PolarHBondContact O-N 2.77Å
668R25.1Very low27.3Very low226 Ų226144.6 Ų144.685%0.85377%0.768SS**  trans-64.3104.5176.2-85.5-174.3165.6-175.5-2.7108.2A666 I670A666-R668 PolarHBondContact O-N 2.94Å; R668-I670 PolarHBondContact O-N 3.21Å
669T26.7Very low27.3Very low117 Ų117145.5 Ų145.572%0.71877%0.774SS**  trans-47.3136.4158.6350000109.4T667 T671T667-T669 PolarHBondContact O-N 2.77Å; T669-T671 PolarHBondContact O-N 2.88Å
670I28.1Very low27.3Very low167 Ų167144.7 Ų144.786%0.85678%0.776SS**  trans-74.880.9-179.4-56.6176.3000108.2R668 K672R668-I670 PolarHBondContact O-N 3.21Å; I670-K672 PolarHBondContact O-N 3.11Å; I670-K672 VanDerWaalsContact O-N 3.13Å
671T25.4Very low27.6Very low104 Ų104142.6 Ų142.664%0.63877%0.771SS**  trans-63.2113.1173.4-50.70000108.4T669 V674T669-T671 PolarHBondContact O-N 2.88Å; T671-V674 HydrophobicContact CG2-CG2 4.25Å
672K26.5Very low27.5Very low183 Ų183141.2 Ų141.280%0.79676%0.764SS**  trans-50.2142.1172.8-67.9-179.6179.2178.70109.6I670 V674I670-K672 PolarHBondContact O-N 3.11Å; I670-K672 VanDerWaalsContact O-N 3.13Å; K672-V674 PolarHBondContact O-N 2.84Å
673P30.7Very low27.8Very low132 Ų132142.9 Ų142.986%0.85776%0.762SS**  trans-59.9105.8-16522.3-34.1000112.3N675P673-N675 PolarHBondContact O-N 3.48Å
674V29.8Very low27.8Very low102 Ų102146.7 Ų146.762%0.61877%0.769SS**  trans-72.2121.9172.3176.30000108.2T671 K672 N676T671-V674 HydrophobicContact CG2-CG2 4.25Å; K672-V674 PolarHBondContact O-N 2.84Å; V674-N676 VanDerWaalsContact C-N 3.28Å; V674-N676 PolarHBondContact O-N 2.94Å
675N26.6Very low28.1Very low130 Ų130146.5 Ų146.570%0.69577%0.77SS**  trans-7077.9-178.1-1762.9000111.9P673 N677P673-N675 PolarHBondContact O-N 3.48Å; N675-N677 PolarHBondContact O-N 2.92Å; N675-N677 VanDerWaalsContact O-N 3.15Å; N675-N677 PolarHBondContact OD1-ND2 2.85Å
676N29.1Very low28.2Very low141 Ų141140.7 Ų140.775%0.75476%0.76SS**  trans-84.281173.8-81.7-16.8000110.8V674 K678V674-N676 VanDerWaalsContact C-N 3.28Å; V674-N676 PolarHBondContact O-N 2.94Å; N676-K678 PolarHBondContact O-N 2.94Å
677N26.4Very low28.5Very low143 Ų143144.7 Ų144.777%0.76577%0.769SS**  trans-56.796.5164.9-78.8-55.6000110.8N675N675-N677 PolarHBondContact O-N 2.92Å; N675-N677 VanDerWaalsContact O-N 3.15Å; N675-N677 PolarHBondContact OD1-ND2 2.85Å
678K27.7Very low28.5Very low194 Ų194148.4 Ų148.484%0.84378%0.775SS**  trans-139.8106.5163.7-140.2172-171.9177.40110.7N676 I680N676-K678 PolarHBondContact O-N 2.94Å; K678-I680 PolarHBondContact O-N 3.23Å; K678-I680 VanDerWaalsContact O-N 3.09Å
679T29.2Very low28.9Very low136 Ų136145 Ų14583%0.83477%0.772SS**  trans-61.9106.2-171.3-46.20000112.2P681T679-P681 WeakPolarHBondContact O-CD 3.27Å
680I27.6Very low29.2Very low157 Ų157145.2 Ų145.281%0.80578%0.775SS**  trans-93.1108.4159-59.8179000106.3K678 N682K678-I680 PolarHBondContact O-N 3.23Å; K678-I680 VanDerWaalsContact O-N 3.09Å; I680-N682 PolarHBondContact O-N 3.2Å
681P31.6Very low29.3Very low101 Ų101142.8 Ų142.866%0.65677%0.773SS**  trans-70.6104.9-179.228-33.1000109.5T679 R683T679-P681 WeakPolarHBondContact O-CD 3.27Å; P681-R683 PolarHBondContact O-N 3.12Å
682N26.7Very low29.5Very low142 Ų142146.9 Ų146.976%0.75978%0.782SS**  trans-59.8101.6170.3-177.8-4.8000108.8I680 Q684I680-N682 PolarHBondContact O-N 3.2Å; N682-Q684 VanDerWaalsContact C-N 3.29Å; N682-Q684 PolarHBondContact O-N 2.8Å
683R29.7Very low29.8Very low228 Ų228145 Ų14586%0.8679%0.786SS**  trans-69.192.4170.8-82.9-168.4173-164.10.1108.1P681 S685P681-R683 PolarHBondContact O-N 3.12Å; R683-S685 PolarHBondContact O-N 2.9Å
684Q29.6Very low29.6Very low178 Ų178143.9 Ų143.983%0.83278%0.782SS**  trans-57.291.9153.5-71.3-178.6-21.300107.9N682 G686N682-Q684 VanDerWaalsContact C-N 3.29Å; N682-Q684 PolarHBondContact O-N 2.8Å; Q684-G686 PolarHBondContact O-N 2.8Å
685S34.1Very low29.7Very low109 Ų109146.1 Ų146.176%0.76279%0.788SS**  trans-70.971.3165.354.40000107.9R683 L687R683-S685 PolarHBondContact O-N 2.9Å; S685-L687 VanDerWaalsContact C-N 3.31Å; S685-L687 PolarHBondContact O-N 2.89Å
686G28.8Very low29.8Very low62 Ų62145.5 Ų145.564%0.63979%0.792SS**  trans-63.193.7174.600000109.1Q684 K688Q684-G686 PolarHBondContact O-N 2.8Å; G686-K688 PolarHBondContact O-N 2.83Å
687L32.5Very low29.9Very low166 Ų166144.7 Ų144.787%0.86979%0.791SS**  trans-57.996.1161-76.6169.6000106.6S685 I689S685-L687 VanDerWaalsContact C-N 3.31Å; S685-L687 PolarHBondContact O-N 2.89Å; L687-I689 PolarHBondContact O-N 3.14Å
688K27.2Very low30.3Very low198 Ų198143.3 Ų143.386%0.86179%0.791SS**  trans-58.6109.5176.3-80.2-176.8174.41790107.7G686 P690G686-K688 PolarHBondContact O-N 2.83Å; K688-P690 VanDerWaalsContact O-N 3.16Å
689I31.9Very low30.2Very low154 Ų154142.2 Ų142.279%0.7979%0.794SS**  trans-48.9122.2164.9-59169.7000106.5L687 S691L687-I689 PolarHBondContact O-N 3.14Å; I689-S691 PolarHBondContact O-N 2.9Å; I689-S691 VanDerWaalsContact O-N 3.13Å
690P34.7Very low30.3Very low122 Ų122138.8 Ų138.879%0.79279%0.786SS**  trans-59121.6-172.620.4-31.5000110.2K688 K692K688-P690 VanDerWaalsContact O-N 3.16Å; P690-K692 PolarHBondContact O-N 3.25Å
691S29.2Very low30.5Very low116 Ų116136.5 Ų136.581%0.81178%0.784SS**  trans-76.995.4-167.154.10000112.1I689I689-S691 PolarHBondContact O-N 2.9Å; I689-S691 VanDerWaalsContact O-N 3.13Å
692K30.2Very low30.4Very low191 Ų191139.7 Ų139.783%0.8379%0.794SS**  trans47.282.9158.5-61.8-177.4178.3-178.30115.5P690 S694P690-K692 PolarHBondContact O-N 3.25Å; K692-S694 PolarHBondContact O-N 2.87Å
693T32Very low30.6Very low143 Ų143137.9 Ų137.988%0.87779%0.792SS**  trans-66.399.115128.50000109.2I695T693-I695 PolarHBondContact O-N 2.87Å; T693-I695 VanDerWaalsContact O-N 3.1Å
694S27.9Very low30.5Very low109 Ų109138.6 Ų138.676%0.76280%0.795SS**  trans-7497.4178.656.30000111.3K692K692-S694 PolarHBondContact O-N 2.87Å
695I31.5Very low30.6Very low148 Ų148137.2 Ų137.276%0.75979%0.792SS**PPolyproline II helixtrans-71.8126.6163-58.4178.3000107.4T693 V697T693-I695 PolarHBondContact O-N 2.87Å; T693-I695 VanDerWaalsContact O-N 3.1Å; I695-V697 PolarHBondContact O-N 2.75Å
696P27.7Very low30.5Very low117 Ų117137.8 Ų137.876%0.7679%0.794SS**PPolyproline II helixtrans-66.5119.9-176.9-21.733.6000112.3
697V32.7Very low30.6Very low124 Ų124142.6 Ų142.675%0.75280%0.801SS**PPolyproline II helixtrans-70.4131.2165-178.20000107.9I695 N699I695-V697 PolarHBondContact O-N 2.75Å; V697-N699 PolarHBondContact O-N 3.33Å
698P33Very low30.9Very low115 Ų115143 Ų14375%0.74780%0.803SS**PPolyproline II helixtrans-65.3131.4-179.325.3-33.8000111.3G700P698-G700 PolarHBondContact O-N 3.02Å
699N26.3Very low31.2Very low170 Ų170138.9 Ų138.991%0.90980%0.799SS**  trans-71.671.1175.9-79.4-31.9000111.7V697V697-N699 PolarHBondContact O-N 3.33Å
700G32.4Very low31.2Very low65 Ų65139.9 Ų139.967%0.6780%0.801SS**  trans-85.4102.8170.500000111.2P698 I702P698-G700 PolarHBondContact O-N 3.02Å; G700-I702 PolarHBondContact O-N 3.39Å
701S30.6Very low30.9Very low109 Ų109143.6 Ų143.676%0.76281%0.805SS**  trans-57.3129.4179.2-61.70000112.3S703S701-S703 VanDerWaalsContact C-N 3.29Å; S701-S703 PolarHBondContact O-N 2.9Å
702I29.2Very low31.2Very low168 Ų168146 Ų14686%0.86281%0.805SS**  trans-72.781.5-179.4-49.3172000110.1G700 R704G700-I702 PolarHBondContact O-N 3.39Å; I702-R704 PolarHBondContact O-N 3.09Å
703S30.8Very low31.4Very low104 Ų104142.6 Ų142.673%0.72780%0.802SS**  trans-64.9118.3175.1-69.90000110.4S701 L705S701-S703 VanDerWaalsContact C-N 3.29Å; S701-S703 PolarHBondContact O-N 2.9Å; S703-L705 PolarHBondContact O-N 3.33Å
704R28.1Very low31.4Very low242 Ų242141 Ų14191%0.91380%0.797SS**  trans-66.2115.3179.3-63.7-179.5178.1-161.3-0.8110I702I702-R704 PolarHBondContact O-N 3.09Å
705L32.3Very low31.6Very low150 Ų150144.4 Ų144.479%0.78580%0.803SS**PPolyproline II helixtrans-62130.9168.3-65.5174.6000109.5S703S703-L705 PolarHBondContact O-N 3.33Å
706P31.5Very low31.6Very low121 Ų121142.7 Ų142.779%0.78680%0.804SS**PPolyproline II helixtrans-71.5153.7177.330-34.5000111.4
707M30.3Very low31.6Very low163 Ų163144.7 Ų144.780%0.80381%0.807SS**PPolyproline II helixtrans-72.6134-178.6-65.9179.768.700112S709M707-S709 PolarHBondContact O-N 3.39Å
708L39.3Very low31.5Very low174 Ų174143.8 Ų143.891%0.91181%0.806SS**PPolyproline II helixtrans-68.5120.3169.8-163.976.9000109.5
709S34.7Very low31.2Very low111 Ų111142.8 Ų142.878%0.77680%0.802SS**PPolyproline II helixtrans-81.6120.9-179.9-11.20000110.1M707M707-S709 PolarHBondContact O-N 3.39Å
710Q31.2Very low31.4Very low176 Ų176145.8 Ų145.882%0.82280%0.8SS**PPolyproline II helixtrans-64.4136.2173.3-66.8-178.2-3.400110.8
711K28.6Very low31.2Very low200 Ų200150 Ų15087%0.8781%0.807SS**  trans-14282.6164.3-160.2170.3-172.8176.90110.5
712M34.2Very low31.3Very low165 Ų165148.5 Ų148.581%0.81381%0.808SS**  trans-59.1131176.6-65.9-83.5-98.300110.6S714M712-S714 PolarHBondContact O-N 3.45Å
713P35.3Very low31.4Very low120 Ų120146 Ų14678%0.77981%0.805SS**  trans-68.6124.5170.8-19.332.8000111.4M715P713-M715 PolarHBondContact O-N 3.41Å
714S32.6Very low31Very low110 Ų110152.3 Ų152.377%0.76981%0.813SS**  trans-78.799175.4470000111.4M712 S716M712-S714 PolarHBondContact O-N 3.45Å; S714-S716 PolarHBondContact O-N 3.15Å; S714-S716 VanDerWaalsContact O-N 3.13Å
715M32Very low31.1Very low180 Ų180150.7 Ų150.789%0.88781%0.813SS**  trans-64.5112.9172.3-77.4176.960.100110.5P713 I717P713-M715 PolarHBondContact O-N 3.41Å; M715-I717 PolarHBondContact O-N 3.13Å
716S31.2Very low30.7Very low112 Ų112149.3 Ų149.378%0.78381%0.811SS**  trans-79.4118.8176.8-62.80000110.4S714 S718S714-S716 PolarHBondContact O-N 3.15Å; S714-S716 VanDerWaalsContact O-N 3.13Å; S716-S718 PolarHBondContact O-N 2.92Å
717I26.8Very low30.4Very low160 Ų160148.1 Ų148.182%0.82181%0.806SS**  trans-72.797.8179.7-55.2172.9000109.3M715 S719M715-I717 PolarHBondContact O-N 3.13Å; I717-S719 PolarHBondContact O-N 2.82Å; I717-S719 VanDerWaalsContact O-N 3.14Å
718S31Very low30.1Very low104 Ų104148.4 Ų148.473%0.72781%0.809SS**  trans-84.282.8176.2-165.90000110.8S716 R720S716-S718 PolarHBondContact O-N 2.92Å; S718-R720 VanDerWaalsContact C-N 3.29Å; S718-R720 PolarHBondContact O-N 2.81Å
719S26.7Very low29.6Very low95 Ų95146.7 Ų146.766%0.66481%0.805SS**  trans-72.571.8-179.1460000113I717 L721I717-S719 PolarHBondContact O-N 2.82Å; I717-S719 VanDerWaalsContact O-N 3.14Å; S719-L721 PolarHBondContact O-N 3.44Å
720R30.2Very low28.9Very low233 Ų233144.3 Ų144.388%0.87980%0.799SS**  trans-73.985.5171.4-81.6-168.7168.2-170.7-2.8112S718 G722S718-R720 VanDerWaalsContact C-N 3.29Å; S718-R720 PolarHBondContact O-N 2.81Å; R720-G722 PolarHBondContact O-N 2.99Å
721L28.9Very low28.7Very low154 Ų154141.7 Ų141.781%0.80680%0.797SS**  trans-61.199.9159.6-88.964.6000109.7S719 S723S719-L721 PolarHBondContact O-N 3.44Å; L721-S723 PolarHBondContact O-N 2.73Å
722G32.9Very low28.5Very low77 Ų77140.9 Ų140.979%0.79480%0.796SS**  trans-74.4112167.200000110.1R720R720-G722 PolarHBondContact O-N 2.99Å
723S30.3Very low28.2Very low114 Ų114142.7 Ų142.780%0.79780%0.803SS**  trans-70.2146.1-169.1-66.70000114.2L721L721-S723 PolarHBondContact O-N 2.73Å
724R22.2Very low27.6Very low237 Ų237140.1 Ų140.189%0.89480%0.798SS**  trans-52.3136.6164.4-66.3176.9174.5-176.6-2.3110.7
725K31.2Very low27.3Very low208 Ų208140.6 Ų140.690%0.90480%0.801SS**  trans-135.1121.2146.8-79.4-163.5174.2-173.90110.4
726T23.9Very low26.9Very low122 Ų122136.2 Ų136.275%0.74879%0.788SS**  trans-92.3-174.8170.347.10000110.6
727S25.9Very low26.6Very low96 Ų96141.1 Ų141.167%0.67180%0.796SS**  trans61.895.216657.30000118
728I23.7Very low26.6Very low168 Ų168139.8 Ų139.886%0.86279%0.79SS**  52.5105.3116.4-56.4156.8000116.7
729T29Very low26Very low138 Ų138144 Ų14485%0.84779%0.79SS**  trans-136.3133.914345.90000108.4
730G20.2Very low26Very low62 Ų62145.6 Ų145.664%0.63980%0.798SS**  trans-70-177.5161.800000111.5
731P26.6Very low25.8Very low120 Ų120139.3 Ų139.378%0.77978%0.781SS**  cis-84.5156.419.4-6.826.5000112.9
732E24.8Very low25.6Very low184 Ų184138.2 Ų138.286%0.8678%0.776SS**  53.472.268.9-55-166.215600114.7
733Q28Very low25.4Very low203 Ų203143.2 Ų143.295%0.94978%0.776SS**  trans-120.768.1139.9-73.3-161.5-13.700109.2
734G22.7Very low25.4Very low65 Ų65143.9 Ų143.967%0.6778%0.776SS**  trans-86.3118.9174.700000112.1
735S24.8Very low25.4Very low120 Ų120139.8 Ų139.884%0.83977%0.766SS**  trans36.7100.6146.860.40000120.4
736S24.8Very low25.4Very low88 Ų88136 Ų13662%0.61576%0.763SS**  trans-162.5134.1138.3-136.50000105.9D738S736-D738 VanDerWaalsContact CB-OD2 3.23Å; S736-D738 WeakPolarHBondContact CB-OD2 3.43Å; S736-D738 PolarHBondContact OG-OD2 2.86Å
737F23.6Very low25.7Very low215 Ų215134.4 Ų134.494%0.94376%0.755SS**  cis66.820.832.1-104.3-65000117.1
738D26.4Very low25.8Very low132 Ų132135.1 Ų135.171%0.70676%0.76SS**  trans-10376172-85.2-68.3000114.7S736S736-D738 VanDerWaalsContact CB-OD2 3.23Å; S736-D738 WeakPolarHBondContact CB-OD2 3.43Å; S736-D738 PolarHBondContact OG-OD2 2.86Å
739R20.3Very low26Very low193 Ų193135.4 Ų135.473%0.72876%0.757SS**  31.885.1123.8-164.1-171.9-153.9-162.75.3118.4I741R739-I741 HydrophobicContact CG-CB 4.5Å; R739-I741 HydrophobicContact CG-CD1 4.24Å; R739-I741 HydrophobicContact CG-CG1 3.96Å; R739-I741 VanDerWaalsContact NE-CD1 3.3Å; R739-I741 PolarHBondContact O-N 2.86Å
740P26.1Very low25.7Very low128 Ų128139.2 Ų139.283%0.83176%0.756SS**  trans-73.489.2156.230.8-32.7000110.4
741I25.6Very low26.1Very low102 Ų102143.1 Ų143.152%0.52376%0.762SS.*  trans-91.2141.5159.4-82.7-175.5000108.9R739R739-I741 HydrophobicContact CG-CB 4.5Å; R739-I741 HydrophobicContact CG-CD1 4.24Å; R739-I741 HydrophobicContact CG-CG1 3.96Å; R739-I741 VanDerWaalsContact NE-CD1 3.3Å; R739-I741 PolarHBondContact O-N 2.86Å
742N23.9Very low25.8Very low131 Ų131145 Ų14570%0.70177%0.766SS**  trans76.3137.6-166.3-58-59.1000112.9
743K29Very low26Very low182 Ų182142.3 Ų142.379%0.79176%0.764SS**  cis-150146.414.2-128.4155.5-171.8176.50112.4
744T30Very low25.9Very low128 Ų128137.6 Ų137.679%0.78575%0.754SS**  trans64.1119.5154.7-230000120.3
745Q23.7Very low26.2Very low150 Ų150139.1 Ų139.170%0.70175%0.754SS**  trans-49163154.2-108.3177.12.800113.3P747Q745-P747 HydrophobicContact CG-CB 4.15Å; Q745-P747 HydrophobicContact CG-CG 4.17Å
746P30.4Very low26.4Very low129 Ų129141.3 Ų141.384%0.83876%0.757SS**  -113.4155.164.336.3-34.7000115.3
747P30.5Very low26.4Very low89 Ų89144.6 Ų144.658%0.57877%0.767SS**  trans-107.4157.7-176.139.6-32.6000114.5Q745Q745-P747 HydrophobicContact CG-CB 4.15Å; Q745-P747 HydrophobicContact CG-CG 4.17Å
748S28.1Very low26.5Very low111 Ų111139.5 Ų139.578%0.77676%0.758SS**  trans-163.9147.7141.943.40000113.2
749H28.4Very low26.4Very low174 Ų174139.6 Ų139.681%0.80676%0.758SS**  trans-21.6131.3172.6-51.2-83000116.6
750R22.7Very low26.7Very low218 Ų218138 Ų13882%0.82376%0.758SS**  65.585.254.6-164.2-155.2-167.3-170.96.2113.4
751N27.3Very low26.6Very low143 Ų143137.1 Ų137.177%0.76576%0.755SS**  174.1147.5129.6-88.5-12.4000111.7
752N21.5Very low26.5Very low160 Ų160137.1 Ų137.186%0.85676%0.764SS**  trans-70.4155.3158.2-74.6-17.3000109.4
753P27.3Very low26.7Very low127 Ų127136.8 Ų136.883%0.82577%0.766SS**  -128.6150.9119.436.1-31.3000113.2
754S27.1Very low26.5Very low104 Ų104133 Ų13373%0.72776%0.763SS**  trans-81.5155.1166-169.70000110.6
755S27.9Very low26.6Very low98 Ų98134.7 Ų134.769%0.68577%0.767SS**  trans19.1117.414959.70000119.2
756N29.3Very low26.6Very low166 Ų166133.9 Ų133.989%0.88877%0.772SS**  trans-158.4160.3134.6-120.5-25.5000113.8
757N24.6Very low26.6Very low156 Ų156133.6 Ų133.683%0.83477%0.773SS**  trans-79.8142.5175.8-61.2-49.4000111.4
758S26.3Very low26.3Very low108 Ų108134.3 Ų134.376%0.75578%0.78SS**  trans-161120.8135.9-170.60000114.2
759I23.8Very low26.4Very low135 Ų135134.6 Ų134.669%0.69278%0.782SS**  trans-14.5153.3144.8-24.4179000118.3
760H26.5Very low26.2Very low159 Ų159134.1 Ų134.174%0.73679%0.785SS**  trans99.4115.1153.3-66.8-69.3000120.5
761S25Very low26.9Very low109 Ų109132 Ų13276%0.76279%0.789SS**  trans64.3148.8138.157.50000120.4
762S24.4Very low26.8Very low103 Ų103133.7 Ų133.772%0.7279%0.789SS**  cis-171.8-164.9-12.550.40000109.3
763V27.8Very low27Very low124 Ų124131.2 Ų131.275%0.75278%0.78SS**  trans79.4110.5165.4-1690000117.3
764S24.3Very low27.2Very low102 Ų102133.4 Ų133.471%0.71379%0.785SS**  trans-66.8145.7160.451.50000112.6
765N31.8Very low27Very low164 Ų164136.7 Ų136.788%0.87779%0.789SS**  trans-123.5127.7159.1-100.3-24.7000110.7
766V23.2Very low27.2Very low133 Ų133138.7 Ų138.781%0.80680%0.797SS**  trans-102.4134.8171.5175.70000108
767S30Very low27.1Very low122 Ų122135.2 Ų135.285%0.85379%0.786SS**  trans-149.1149.1159.9-162.40000110.3
768S26.1Very low27.2Very low104 Ų104135 Ų13573%0.72778%0.784SS**  trans-140.9146-170.955.60000110.6
769S28.5Very low27.5Very low118 Ų118135.8 Ų135.883%0.82579%0.79SS**  trans-171.5146.415632.40000110.7
770N25.9Very low27.6Very low163 Ų163134.5 Ų134.587%0.87279%0.788SS**  trans-88.1145.8168.4-69.1-72.6000109.4
771I35.8Very low27.8Very low174 Ų174136.1 Ų136.189%0.89279%0.794SS**  trans-111.4141.2155.6-64.3-178.4000107.9
772K25.1Very low28Very low178 Ų178136 Ų13677%0.77479%0.792SS**  trans-118.8166.5-164.6-144.6179.8-175.31790110.1
773T26.6Very low27.9Very low109 Ų109137.5 Ų137.567%0.66979%0.792SS**  trans56.7118.2158.642.70000119.1
774N31.2Very low27.8Very low172 Ų172137.6 Ų137.692%0.9280%0.795SS**  -142.4147.5109.1-104.3-29.1000110.5
775Q22.9Very low27.9Very low174 Ų174141.3 Ų141.381%0.81380%0.798SS**  trans-124.9131.6179.6-73.9-178.7-22.600109.8
776T31.8Very low27.7Very low140 Ų140138.8 Ų138.886%0.85979%0.793SS**  trans-170.7153.5149.441.20000108.4
777S27.2Very low27.8Very low92 Ų92138 Ų13864%0.64379%0.794SS**  cis-177.9136.6-33.3-980000106.5
778N26.9Very low27.7Very low152 Ų152137.9 Ų137.981%0.81379%0.788SS**  trans58.5109.3157.6-52.7-19.1000119.9
779S32.9Very low27.6Very low125 Ų125138.6 Ų138.687%0.87479%0.793SS**  -142.2159.9116-165.50000109.5
780T26.4Very low27.5Very low107 Ų107139.7 Ų139.766%0.65679%0.788SS**  trans-132.1167.2-161.459.10000113.4
781K31.3Very low27.5Very low194 Ų194137.5 Ų137.584%0.84378%0.781SS**  trans74.3141.9175-52.8174.9-176.4178.30114.9
782S28.5Very low27Very low105 Ų105135.5 Ų135.573%0.73478%0.777SS**  cis-175151.5-30.440.40000106.5
783L22.9Very low27.1Very low135 Ų135135 Ų13571%0.70778%0.777SS**  trans-67.7165.1173.9-61.883.9000110.7K785L783-K785 HydrophobicContact CD2-CD 4.45Å; L783-K785 HydrophobicContact CD2-CG 4Å
784P25.6Very low27Very low127 Ų127136.9 Ų136.983%0.82578%0.779SS**  -126.6144.894.436.1-31.9000114
785K25.1Very low26.9Very low179 Ų179136 Ų13678%0.77877%0.773SS**  trans-85.1116.4159.1-72.5176.5177.6178.10107.8L783 S787L783-K785 HydrophobicContact CD2-CD 4.45Å; L783-K785 HydrophobicContact CD2-CG 4Å; K785-S787 PolarHBondContact O-N 3.48Å
786S28.3Very low27.1Very low111 Ų111134.9 Ų134.978%0.77677%0.769SS**  trans-91.68917155.90000110.5V788S786-V788 PolarHBondContact O-N 3.29Å
787S25.2Very low26.8Very low116 Ų116139.6 Ų139.681%0.81177%0.771SS**  trans-79.6103.4168.3520000110K785K785-S787 PolarHBondContact O-N 3.48Å
788V28.5Very low26.8Very low120 Ų120140.5 Ų140.573%0.72777%0.774SS**  trans-124.2101.1167.7-178.30000108.8S786 L790S786-V788 PolarHBondContact O-N 3.29Å; V788-L790 HydrophobicContact CG1-CD1 4.37Å
789S23.4Very low26.7Very low119 Ų119139.5 Ų139.583%0.83277%0.773SS**  trans-83.9117.8169.650.90000109.7
790L26.4Very low26.6Very low141 Ų141139.4 Ų139.474%0.73877%0.77SS**  trans-137.9120.5170.4-99.8171.1000112.1V788V788-L790 HydrophobicContact CG1-CD1 4.37Å
791T26.1Very low26.6Very low118 Ų118139.4 Ų139.472%0.72477%0.774SS**  trans41.7104.8151.749.80000119.7
792V25.1Very low26.3Very low131 Ų131141.1 Ų141.179%0.79478%0.775SS**  trans-17125.9137.1179.70000114.5
793Q27.8Very low26.5Very low169 Ų169144.5 Ų144.579%0.7978%0.783SS**  trans-131.7120.8143.3-82.9-165.6-20.700110N795Q793-N795 PolarHBondContact O-N 3.35Å
794Q23.7Very low26.6Very low148 Ų148142.1 Ų142.169%0.69278%0.778SS**  trans-74.9100.9163.5-70-178.3-12.700108.7Q796Q794-Q796 VanDerWaalsContact C-N 3.32Å; Q794-Q796 HydrophobicContact CB-CG 4.24Å; Q794-Q796 PolarHBondContact O-N 3.34Å; Q794-Q796 VanDerWaalsContact O-N 3.1Å
795N30.1Very low26.5Very low152 Ų152144 Ų14481%0.81378%0.78SS**  trans-79.389.5160.7-90.4-31.2000108.7Q793Q793-N795 PolarHBondContact O-N 3.35Å
796Q26.7Very low26.6Very low152 Ų152140.6 Ų140.671%0.7178%0.779SS**PPolyproline II helixtrans-69.8154.7173.4-65.3-1652700111.6Q794Q794-Q796 VanDerWaalsContact C-N 3.32Å; Q794-Q796 HydrophobicContact CB-CG 4.24Å; Q794-Q796 PolarHBondContact O-N 3.34Å; Q794-Q796 VanDerWaalsContact O-N 3.1Å
797R25.4Very low26.5Very low239 Ų239141.1 Ų141.190%0.90278%0.782SS**PPolyproline II helixtrans-60.7131.5-175.1-160.7-174.5-152.9166.74.5112.1
798P27.6Very low26.7Very low110 Ų110139 Ų13971%0.71478%0.779SS**PPolyproline II helixtrans-72.7134.3166.529.6-32.4000111.3
799V24.4Very low26.7Very low132 Ų132139.5 Ų139.580%0.878%0.782SS**  42.5132.3123.2179.80000117.7
800P29.5Very low26.8Very low123 Ų123139.4 Ų139.480%0.79978%0.781SS**  cis-123.3158.830.115.48.8000117.2
801S28Very low26.8Very low106 Ų106135.8 Ų135.874%0.74178%0.778SS**  trans-78.4141.5170.750.20000113
802R23.9Very low27Very low230 Ų230137.4 Ų137.487%0.86879%0.788SS**  trans16.6103.2152.3-64.8179.9175.7179.8-2.1116.8
803I32.7Very low26.9Very low176 Ų176138 Ų13890%0.90379%0.792SS**  trans-87.7123141.6-60.6176.9000105.9
804S24.9Very low27Very low85 Ų85135.7 Ų135.759%0.59480%0.795SS**  trans-134.6133.1-177.755.10000110.5
805L23.3Very low27.2Very low167 Ų167134.7 Ų134.787%0.87480%0.799SS**  trans72.4152.5177.7-52.9162.2000113.5
806S26.8Very low27.4Very low107 Ų107135.7 Ų135.775%0.74880%0.803SS**  cis-125.9159.711.855.20000114.6
807S26.3Very low27.6Very low122 Ų122139.7 Ų139.785%0.85381%0.811SS**  trans-73121.5157.741.40000109.5
808G30Very low27.7Very low71 Ų71137.7 Ų137.773%0.73281%0.809SS**  trans-160.2137.417900000111
809T27.6Very low28.2Very low131 Ų131138.7 Ų138.780%0.80482%0.815SS**  trans-85.8146.6-172.946.10000113.3
810S26.9Very low28.6Very low117 Ų117140 Ų14082%0.81882%0.817SS**  trans55.1117.6151.459.40000119.6
811G26.4Very low28.7Very low65 Ų65140.5 Ų140.567%0.6782%0.817SS**  trans160.2119.4153.300000117.7
812T30.2Very low29.1Very low153 Ų153140.3 Ų140.394%0.93981%0.813SS**  trans63.5157.9150620000121.4
813T23.4Very low29.3Very low142 Ų142135 Ų13587%0.87181%0.811SS**  trans-107.7148.3-168.5450000112.6
814S29.8Very low29.8Very low121 Ų121136 Ų13685%0.84681%0.809SS**  trans-157.1155.1149.4-164.90000111.7
815T27.9Very low30.1Very low128 Ų128135.5 Ų135.579%0.78582%0.817SS**  trans-99.1136.6-17554.40000112.4
816I33.1Very low30.3Very low172 Ų172133.3 Ų133.388%0.88282%0.816SS**  trans-111144.4172.8-62.2-179.1000110
817R32.1Very low30.9Very low237 Ų237133.9 Ų133.989%0.89482%0.82SS**PPolyproline II helixtrans-93.3161.2-165.7-67.1-178.4174.1-169.3-1.6113.7
818K27.3Very low31.1Very low197 Ų197138.1 Ų138.186%0.85782%0.817SS**PPolyproline II helixtrans-65.3145.4176-59.1178.1179.4-1780112.1
819P37.6Very low31.7Very low130 Ų130138.7 Ų138.784%0.84482%0.823SS**PPolyproline II helixtrans-72.8163.3168.432.1-35.1000112.2
820I32.3Very low31.9Very low161 Ų161140.3 Ų140.383%0.82682%0.819SS**  trans-116.1141.4-177.3-65.7172.4000109.6
821V31.5Very low32Very low132 Ų132139.7 Ų139.780%0.882%0.815SS**PPolyproline II helixtrans-93.9130.5-178.5-179.40000110.7
822P36.2Very low32.6Very low102 Ų102142.2 Ų142.266%0.66282%0.822SS**PPolyproline II helixtrans-78140.5172.731.6-33.5000111.8
823S28.6Very low32.5Very low118 Ų118138.6 Ų138.683%0.82582%0.815SS**PPolyproline II helixtrans-94.9136.9178.9-177.10000111.6
824F42.9Very low33.3Very low198 Ų198143.3 Ų143.387%0.86882%0.817SS**  trans-110.4121.4170.1-84-84.2000110.8
825G32.9Very low33.7Very low74 Ų74146.1 Ų146.176%0.76384%0.836SS**  trans-78.2152.5-174.400000114.3
826S27.4Very low34Very low121 Ų121147 Ų14785%0.84684%0.839SS**  trans-68.7138.6173.3-174.30000111.9
827S39.3Very low34.1Very low119 Ų119145.7 Ų145.783%0.83284%0.836SS**  trans-135.7150.2156.567.40000110
828R30.6Very low34.2Very low212 Ų212140.6 Ų140.680%0.883%0.833SS**  trans-134.486-157.1-176.4-174.3-177.2-1754.1111.3
829G40.9Very low34.6Very low82 Ų82137.3 Ų137.385%0.84583%0.832SS**  trans-72.4142.8173.400000112.7
830K32Very low34.4Very low165 Ų165137.8 Ų137.872%0.71783%0.831SS**  trans-134.8155.2179.7-89.1-171.4172.2-173.90111.8
831S30.5Very low34.5Very low105 Ų105136.2 Ų136.273%0.73483%0.831SS**  trans71.8148.1143.253.80000121.8
832S37.8Very low34.7Very low118 Ų118136.5 Ų136.583%0.82583%0.833SS**  trans60.9134.4175.361.50000116.6
833G27.5Very low34.6Very low76 Ų76139.2 Ų139.278%0.78485%0.847SS**  cis95.790-2.700000113.9
834R41.3Very low35.1Very low242 Ų242140.9 Ų140.991%0.91385%0.848SS**  trans-151.2164.9160.5-145.7173.2-175.71761109.2
835S38.5Very low34.4Very low179 Ų179135.7 Ų135.7100%1.25285%0.847SS**  trans-55017355.10000113.4

Retrieved 835 of 835 residues in 1053.2 ms (Link to these results)