A0A3Q0KNT6_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A3Q0KNT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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
1M61.3Low55.5Low200 Ų200103.7 Ų103.799%0.98556%0.564SS**  0-62.30-156.3170.9-172.400111.9I3 I4M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.18Å; M1-I3 VanDerWaalsContact O-N 3.08Å; M1-I4 WeakPolarHBondContact O-CB 3.29Å; M1-I4 PolarHBondContact O-N 3.42Å
2L52.5Low54.3Low132 Ų132108.5 Ų108.569%0.69157%0.57SS**Hα-helixtrans-40.7-49.5-175.3-164.380.2000115.7I4 V5 I6L2-I4 VanDerWaalsContact C-N 3.28Å; L2-I4 PolarHBondContact O-N 3.19Å; L2-V5 WeakPolarHBondContact O-CB 3.3Å; L2-V5 PolarHBondContact O-N 2.92Å; L2-V5 VanDerWaalsContact O-N 3.1Å; L2-I6 HydrophobicContact CD2-CD1 4.31Å; L2-I6 HydrophobicContact CG-CD1 4.13Å; L2-I6 PolarHBondContact O-N 2.87Å; L2-I6 VanDerWaalsContact O-N 3.09Å
3I54.3Low54Low124 Ų124107.9 Ų107.964%0.63657%0.566SS**Hα-helixtrans-57.5-38.1-178.7-62170.6000112.4M1 I6 I7M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.18Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-I6 PolarHBondContact O-N 3.32Å; I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CG1 3.28Å; I3-I7 PolarHBondContact O-N 3.09Å
4I55.2Low53.1Low118 Ų118106.7 Ų106.761%0.60556%0.56SS**Hα-helixtrans-66.2-42.7179.2-58.4173.4000109.7M1 L2 I6 I7 S8M1-I4 WeakPolarHBondContact O-CB 3.29Å; M1-I4 PolarHBondContact O-N 3.42Å; L2-I4 VanDerWaalsContact C-N 3.28Å; L2-I4 PolarHBondContact O-N 3.19Å; I4-I6 VanDerWaalsContact C-N 3.35Å; I4-I6 PolarHBondContact O-N 2.6Å; I4-I7 PolarHBondContact O-N 3.24Å; I4-S8 WeakPolarHBondContact O-CB 3.21Å; I4-S8 PolarHBondContact O-N 3.24Å; I4-S8 PolarHBondContact O-OG 2.99Å; I4-S8 VanDerWaalsContact O-OG 3.11Å
5V51.6Low52.4Low81 Ų81103.9 Ų103.949%0.49155%0.552SS.*Hα-helixtrans-60.6-45177-175.20000110.6L2 I7 S8 S9L2-V5 WeakPolarHBondContact O-CB 3.3Å; L2-V5 PolarHBondContact O-N 2.92Å; L2-V5 VanDerWaalsContact O-N 3.1Å; V5-I7 PolarHBondContact O-N 3.06Å; V5-S8 PolarHBondContact O-N 3.17Å; V5-S9 WeakPolarHBondContact O-CB 3.28Å; V5-S9 PolarHBondContact O-N 3.11Å; V5-S9 PolarHBondContact O-OG 3.02Å; V5-S9 VanDerWaalsContact O-OG 3.09Å
6I58.9Low51.7Low88 Ų88101.7 Ų101.745%0.45154%0.539SS..Hα-helixtrans-60.1-47.2178-65.3166.8000111.1L2 I3 I4 S9 I10L2-I6 HydrophobicContact CD2-CD1 4.31Å; L2-I6 HydrophobicContact CG-CD1 4.13Å; L2-I6 PolarHBondContact O-N 2.87Å; L2-I6 VanDerWaalsContact O-N 3.09Å; I3-I6 PolarHBondContact O-N 3.32Å; I4-I6 VanDerWaalsContact C-N 3.35Å; I4-I6 PolarHBondContact O-N 2.6Å; I6-S9 PolarHBondContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 VanDerWaalsContact O-CG1 3.32Å; I6-I10 WeakPolarHBondContact O-CG1 3.28Å; I6-I10 PolarHBondContact O-N 3.12Å
7I58.6Low50.6Low98 Ų98101.1 Ų101.150%0.50354%0.54SS..Hα-helixtrans-62.9-46.2178.2-66.3167.3000110.6I3 I4 V5 S9 I10 V11I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CG1 3.28Å; I3-I7 PolarHBondContact O-N 3.09Å; I4-I7 PolarHBondContact O-N 3.24Å; V5-I7 PolarHBondContact O-N 3.06Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.23Å; I7-I10 PolarHBondContact O-N 2.84Å; I7-V11 WeakPolarHBondContact O-CG2 3.35Å; I7-V11 PolarHBondContact O-N 3.32Å
8S52.5Low49.9Very low70 Ų70102.3 Ų102.349%0.4955%0.545SS..Hα-helixtrans-60.1-41.1176.4-65.20000112.5I4 V5 V11 Y12I4-S8 WeakPolarHBondContact O-CB 3.21Å; I4-S8 PolarHBondContact O-N 3.24Å; I4-S8 PolarHBondContact O-OG 2.99Å; I4-S8 VanDerWaalsContact O-OG 3.11Å; V5-S8 PolarHBondContact O-N 3.17Å; S8-V11 PolarHBondContact O-N 2.74Å; S8-Y12 VanDerWaalsContact O-CB 3.24Å; S8-Y12 WeakPolarHBondContact O-CB 3.4Å; S8-Y12 PolarHBondContact O-N 2.7Å
9S58.6Low49.2Very low55 Ų55102.1 Ų102.139%0.38555%0.553SS.*Hα-helixtrans-64.3-43.1176-65.70000112.4V5 I6 I7 Y12 I13V5-S9 WeakPolarHBondContact O-CB 3.28Å; V5-S9 PolarHBondContact O-N 3.11Å; V5-S9 PolarHBondContact O-OG 3.02Å; V5-S9 VanDerWaalsContact O-OG 3.09Å; I6-S9 PolarHBondContact O-N 3.14Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.23Å; S9-Y12 PolarHBondContact O-N 3.03Å; S9-I13 WeakPolarHBondContact O-CB 3.29Å; S9-I13 WeakPolarHBondContact O-CD1 3.41Å; S9-I13 VanDerWaalsContact O-CG1 3.23Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.78Å
10I57.6Low48.4Very low94 Ų94103.6 Ų103.648%0.48256%0.561SS.*Hα-helixtrans-62.9-44.5177.7-68164.1000110.8I6 I7 N14I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 VanDerWaalsContact O-CG1 3.32Å; I6-I10 WeakPolarHBondContact O-CG1 3.28Å; I6-I10 PolarHBondContact O-N 3.12Å; I7-I10 PolarHBondContact O-N 2.84Å; I10-N14 WeakPolarHBondContact O-CB 3.49Å; I10-N14 VanDerWaalsContact O-CG 3.28Å; I10-N14 PolarHBondContact O-N 3.4Å; I10-N14 VanDerWaalsContact O-N 3.11Å; I10-N14 PolarHBondContact O-ND2 3.22Å
11V49.6Very low47.7Very low81 Ų81102.4 Ų102.449%0.49155%0.554SS.*Hα-helixtrans-62.9-45.7175.7173.70000110.9I7 S8 I13 N14 C15I7-V11 WeakPolarHBondContact O-CG2 3.35Å; I7-V11 PolarHBondContact O-N 3.32Å; S8-V11 PolarHBondContact O-N 2.74Å; V11-I13 PolarHBondContact O-N 3.04Å; V11-N14 PolarHBondContact O-N 3.35Å; V11-C15 WeakPolarHBondContact O-CB 3.41Å; V11-C15 PolarHBondContact O-N 3Å; V11-C15 PolarHBondContact O-SG 2.83Å
12Y40.6Very low46.3Very low161 Ų16195 Ų9563%0.63153%0.528SS*.Hα-helixtrans-63-42.3-179.4-172.8-111.1000112.9S8 S9 C15 I16S8-Y12 VanDerWaalsContact O-CB 3.24Å; S8-Y12 WeakPolarHBondContact O-CB 3.4Å; S8-Y12 PolarHBondContact O-N 2.7Å; S9-Y12 PolarHBondContact O-N 3.03Å; Y12-C15 PolarHBondContact O-N 3.48Å; Y12-I16 HydrophobicContact CD1-CD1 3.83Å; Y12-I16 HydrophobicContact CE1-CD1 3.4Å; Y12-I16 HydrophobicContact CE1-CG1 4.49Å; Y12-I16 HydrophobicContact CE2-CD1 4.3Å; Y12-I16 HydrophobicContact CG-CD1 4.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.41Å; Y12-I16 PolarHBondContact O-N 2.88Å
13I51Low45.4Very low101 Ų10191.9 Ų91.952%0.51852%0.518SS..Hα-helixtrans-61-48.7174.9-70.3163.4000110.5S9 V11 C15 I16 V17S9-I13 WeakPolarHBondContact O-CB 3.29Å; S9-I13 WeakPolarHBondContact O-CD1 3.41Å; S9-I13 VanDerWaalsContact O-CG1 3.23Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.78Å; V11-I13 PolarHBondContact O-N 3.04Å; I13-C15 VanDerWaalsContact C-N 3.34Å; I13-C15 PolarHBondContact O-N 2.92Å; I13-I16 PolarHBondContact O-N 3.11Å; I13-V17 WeakPolarHBondContact O-CG2 3.41Å; I13-V17 PolarHBondContact O-N 2.97Å; I13-V17 VanDerWaalsContact O-N 3.14Å
14N41Very low44.5Very low91 Ų9193 Ų9349%0.48752%0.515SS..Hα-helixtrans-62.5-39.9178.7-70.5-20000112.1I10 V11 V17 I18I10-N14 WeakPolarHBondContact O-CB 3.49Å; I10-N14 VanDerWaalsContact O-CG 3.28Å; I10-N14 PolarHBondContact O-N 3.4Å; I10-N14 VanDerWaalsContact O-N 3.11Å; I10-N14 PolarHBondContact O-ND2 3.22Å; V11-N14 PolarHBondContact O-N 3.35Å; N14-V17 PolarHBondContact O-N 2.95Å; N14-I18 WeakPolarHBondContact O-CD1 3.41Å; N14-I18 WeakPolarHBondContact O-CG1 3.43Å; N14-I18 PolarHBondContact O-N 3.27Å
15C42.6Very low43.5Very low64 Ų6493.3 Ų93.343%0.43251%0.514SS..Hα-helixtrans-66.9-37.3176.1-710000113V11 Y12 I13 I18 S19V11-C15 WeakPolarHBondContact O-CB 3.41Å; V11-C15 PolarHBondContact O-N 3Å; V11-C15 PolarHBondContact O-SG 2.83Å; Y12-C15 PolarHBondContact O-N 3.48Å; I13-C15 VanDerWaalsContact C-N 3.34Å; I13-C15 PolarHBondContact O-N 2.92Å; C15-I18 PolarHBondContact O-N 2.84Å; C15-S19 WeakPolarHBondContact O-CB 3.46Å; C15-S19 PolarHBondContact O-N 2.9Å; C15-S19 PolarHBondContact O-OG 3.04Å
16I40.9Very low42.8Very low69 Ų6996 Ų9635%0.35452%0.519SS..Hα-helixtrans-63.8-42.5175-76.3172.7000111.3Y12 I13 I18 S19 N20Y12-I16 HydrophobicContact CD1-CD1 3.83Å; Y12-I16 HydrophobicContact CE1-CD1 3.4Å; Y12-I16 HydrophobicContact CE1-CG1 4.49Å; Y12-I16 HydrophobicContact CE2-CD1 4.3Å; Y12-I16 HydrophobicContact CG-CD1 4.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.41Å; Y12-I16 PolarHBondContact O-N 2.88Å; I13-I16 PolarHBondContact O-N 3.11Å; I16-I18 PolarHBondContact O-N 2.78Å; I16-S19 PolarHBondContact O-N 2.78Å; I16-N20 PolarHBondContact O-N 3.39Å
17V33.8Very low41.7Very low91 Ų9197 Ų9755%0.55252%0.522SS*.Hα-helixtrans-60.4-32.9177.7171.60000111.6I13 N14 N21I13-V17 WeakPolarHBondContact O-CG2 3.41Å; I13-V17 PolarHBondContact O-N 2.97Å; I13-V17 VanDerWaalsContact O-N 3.14Å; N14-V17 PolarHBondContact O-N 2.95Å; V17-N21 PolarHBondContact O-ND2 3.07Å
18I38Very low40.5Very low124 Ų12495.1 Ų95.164%0.63652%0.517SS*.Hα-helixtrans-83.3-43.6178.5-66.1161.8000112.2N14 C15 I16N14-I18 WeakPolarHBondContact O-CD1 3.41Å; N14-I18 WeakPolarHBondContact O-CG1 3.43Å; N14-I18 PolarHBondContact O-N 3.27Å; C15-I18 PolarHBondContact O-N 2.84Å; I16-I18 PolarHBondContact O-N 2.78Å
19S35.9Very low39.9Very low98 Ų9897.1 Ų97.169%0.68552%0.519SS*.Hα-helixtrans-80.8-26.5-171-65.30000115.3C15 I16C15-S19 WeakPolarHBondContact O-CB 3.46Å; C15-S19 PolarHBondContact O-N 2.9Å; C15-S19 PolarHBondContact O-OG 3.04Å; I16-S19 PolarHBondContact O-N 2.78Å
20N33.4Very low38.9Very low132 Ų132100 Ų10071%0.70653%0.525SS*.THydrogen-bonded Turntrans-937.9-180-80.6-14.3000113.8I16I16-N20 PolarHBondContact O-N 3.39Å
21N33.2Very low38Very low78 Ų7899.2 Ų99.242%0.41752%0.519SS..SBendtrans-125.2133.2-179.6-74.8-62.3000110.9V17 Y24V17-N21 PolarHBondContact O-ND2 3.07Å; N21-Y24 HydrophobicContact CB-CD2 3.82Å; N21-Y24 HydrophobicContact CB-CE2 3.81Å
22G32.4Very low37.4Very low44 Ų4498.7 Ų98.745%0.45452%0.516SS..  trans-56.8147.6162.900000110.1Y24G22-Y24 VanDerWaalsContact O-CD2 3.29Å; G22-Y24 WeakPolarHBondContact O-CD2 3.43Å; G22-Y24 PolarHBondContact O-N 2.81Å
23S33.9Very low37.5Very low67 Ų6795.3 Ų95.347%0.46951%0.505SS..  trans-60.699.1-162.8-176.80000113.2Q25S23-Q25 PolarHBondContact O-N 3.43Å
24Y36Very low36.7Very low149 Ų14997 Ų9758%0.58452%0.515SS*.EExtended strand (participates in β ladder)trans-88.488.3172.6-65.3-60.9000110.1N21 G22 F26 I50N21-Y24 HydrophobicContact CB-CD2 3.82Å; N21-Y24 HydrophobicContact CB-CE2 3.81Å; G22-Y24 VanDerWaalsContact O-CD2 3.29Å; G22-Y24 WeakPolarHBondContact O-CD2 3.43Å; G22-Y24 PolarHBondContact O-N 2.81Å; Y24-F26 PolarHBondContact O-N 3.24Å; Y24-I50 HydrophobicContact CE1-CG1 4.5Å
25Q33.9Very low36.6Very low124 Ų12495.2 Ų95.258%0.57951%0.513SS*.EExtended strand (participates in β ladder)trans-70.8110.2158.9-89.4-105.63.900108.2S23 F49S23-Q25 PolarHBondContact O-N 3.43Å; Q25-F49 HydrophobicContact CB-CB 4.2Å; Q25-F49 HydrophobicContact CB-CD2 3.92Å; Q25-F49 PolarHBondContact O-N 2.66Å
26F35.4Very low36.4Very low136 Ų13699.2 Ų99.260%0.59653%0.53SS*.EExtended strand (participates in β ladder)trans-109.2102.9173.6-169.1-93.3000109.3Y24 S46Y24-F26 PolarHBondContact O-N 3.24Å; F26-S46 WeakPolarHBondContact CZ-OG 3.45Å
27Q36.8Very low36.2Very low110 Ų11098.7 Ų98.751%0.51454%0.541SS..EExtended strand (participates in β ladder)trans-101103.4175.7-166174.644.200109.1Q47Q27-Q47 PolarHBondContact N-O 2.72Å; Q27-Q47 PolarHBondContact O-N 3.01Å
28S34.3Very low36.4Very low58 Ų58103.6 Ų103.641%0.40655%0.552SS.*EExtended strand (participates in β ladder)trans-95.1132.7165.9175.40000109.6
29Q38Very low36.2Very low113 Ų113100 Ų10053%0.52854%0.538SS..EExtended strand (participates in β ladder)trans-122.7100.5171.2-167.5-178.897.500109.2Q31 Q45Q29-Q31 HydrophobicContact CG-CG 4.45Å; Q29-Q31 PolarHBondContact O-N 3.3Å; Q29-Q45 PolarHBondContact N-O 3.13Å; Q29-Q45 VanDerWaalsContact N-O 3.13Å
30K38.4Very low36Very low115 Ų115100 Ų10050%0.553%0.527SS..EExtended strand (participates in β ladder)trans-76.1106.8173.7175.9166177.9149.30109.8E42K30-E42 VanDerWaalsContact CE-OE1 3.28Å; K30-E42 WeakPolarHBondContact CE-OE1 3.45Å; K30-E42 WeakPolarHBondContact CE-OE2 3.32Å; K30-E42 IonicContact NZ-OE1 2.72Å; K30-E42 PolarHBondContact NZ-OE1 3.43Å; K30-E42 IonicContact NZ-OE2 2.66Å; K30-E42 PolarHBondContact NZ-OE2 3.21Å
31Q39.4Very low36.6Very low78 Ų7896.4 Ų96.436%0.36451%0.507SS..EExtended strand (participates in β ladder)trans-98.5132.2167-63.2-167.914.700109.3Q29 F33 Q43Q29-Q31 HydrophobicContact CG-CG 4.45Å; Q29-Q31 PolarHBondContact O-N 3.3Å; Q31-F33 HydrophobicContact CB-CE2 3.95Å; Q31-F33 HydrophobicContact CB-CZ 4Å; Q31-Q43 PolarHBondContact N-O 3.14Å; Q31-Q43 PolarHBondContact O-N 2.89Å
32T37.1Very low36.9Very low70 Ų7095.5 Ų95.543%0.42950%0.5SS..EExtended strand (participates in β ladder)trans-119.7113.2-179.2-47.50000108.2M40T32-M40 HydrophobicContact CG2-CE 3.54Å; T32-M40 HydrophobicContact CG2-SD 4.11Å
33F42.2Very low37.5Very low90 Ų9095 Ų9540%0.39549%0.486SS..EExtended strand (participates in β ladder)trans-94.4121.1-176.8-59-86.6000110.5Q31 A35 H41 Q43Q31-F33 HydrophobicContact CB-CE2 3.95Å; Q31-F33 HydrophobicContact CB-CZ 4Å; F33-A35 PolarHBondContact O-N 3.06Å; F33-A35 VanDerWaalsContact O-N 3.12Å; F33-H41 HydrophobicContact CB-CB 4.34Å; F33-H41 PolarHBondContact N-O 3.41Å; F33-H41 VanDerWaalsContact N-O 3.11Å; F33-H41 PolarHBondContact O-N 3.09Å; F33-Q43 HydrophobicContact CE2-CB 4.09Å
34N34.8Very low37.9Very low136 Ų13693.9 Ų93.973%0.72748%0.475SS*.EExtended strand (participates in β ladder)trans-79.886.9174-177.23.7000110N36N34-N36 PolarHBondContact O-N 3.26Å; N34-N36 VanDerWaalsContact O-N 3.11Å
35A38.9Very low38.2Very low53 Ų5389.6 Ų89.644%0.43846%0.46SS..EExtended strand (participates in β ladder)trans-82.483.2176.400000110.9F33 G37 Y38F33-A35 PolarHBondContact O-N 3.06Å; F33-A35 VanDerWaalsContact O-N 3.12Å; A35-G37 VanDerWaalsContact C-N 3.32Å; A35-G37 PolarHBondContact O-N 3.21Å; A35-Y38 PolarHBondContact O-N 3.47Å
36N37.2Very low38.3Very low148 Ų14884.5 Ų84.579%0.79144%0.438SS*.THydrogen-bonded Turntrans38.852.1166-71.8-10.2000115.1N34 Y38N34-N36 PolarHBondContact O-N 3.26Å; N34-N36 VanDerWaalsContact O-N 3.11Å; N36-Y38 VanDerWaalsContact C-N 3.26Å; N36-Y38 WeakPolarHBondContact O-CD2 3.23Å; N36-Y38 PolarHBondContact O-N 3.18Å; N36-Y38 VanDerWaalsContact O-N 3.14Å
37G37.2Very low38.4Very low58 Ų5880.6 Ų80.660%0.59842%0.421SS*.THydrogen-bonded Turntrans72.60.1168.900000117.4A35A35-G37 VanDerWaalsContact C-N 3.32Å; A35-G37 PolarHBondContact O-N 3.21Å
38Y38.1Very low38.3Very low195 Ų19576.8 Ų76.877%0.76541%0.407SS*.THydrogen-bonded Turntrans-122.5-11.4-173.7-70.7-68.7000116A35 N36A35-Y38 PolarHBondContact O-N 3.47Å; N36-Y38 VanDerWaalsContact C-N 3.26Å; N36-Y38 WeakPolarHBondContact O-CD2 3.23Å; N36-Y38 PolarHBondContact O-N 3.18Å; N36-Y38 VanDerWaalsContact O-N 3.14Å
39S34.4Very low38.6Very low49 Ų4976.8 Ų76.834%0.34340%0.4SS..EExtended strand (participates in β ladder)trans-156.8141.6168.1-78.80000112.8
40M31.8Very low38.6Very low96 Ų9674.2 Ų74.247%0.47339%0.389SS..EExtended strand (participates in β ladder)trans-92.3109.3167.9-72.5-81.7-7900108.2T32T32-M40 HydrophobicContact CG2-CE 3.54Å; T32-M40 HydrophobicContact CG2-SD 4.11Å
41H44.5Very low38.6Very low58 Ų5873.5 Ų73.527%0.26939%0.387SS..EExtended strand (participates in β ladder)trans-91.9111.9174.1-162.777000109.7F33F33-H41 HydrophobicContact CB-CB 4.34Å; F33-H41 PolarHBondContact N-O 3.41Å; F33-H41 VanDerWaalsContact N-O 3.11Å; F33-H41 PolarHBondContact O-N 3.09Å
42E41.3Very low38.4Very low59 Ų5975.3 Ų75.328%0.27640%0.399SS..EExtended strand (participates in β ladder)trans-99109.4177.6-179.8163166.400110.5K30 N44K30-E42 VanDerWaalsContact CE-OE1 3.28Å; K30-E42 WeakPolarHBondContact CE-OE1 3.45Å; K30-E42 WeakPolarHBondContact CE-OE2 3.32Å; K30-E42 IonicContact NZ-OE1 2.72Å; K30-E42 PolarHBondContact NZ-OE1 3.43Å; K30-E42 IonicContact NZ-OE2 2.66Å; K30-E42 PolarHBondContact NZ-OE2 3.21Å; E42-N44 PolarHBondContact OE1-ND2 3.01Å
43Q44Very low38.4Very low34 Ų3478.5 Ų78.516%0.15941%0.414CS..EExtended strand (participates in β ladder)trans-102.4111.5174.1-171.5178.76.700109.5Q31 F33 Q45Q31-Q43 PolarHBondContact N-O 3.14Å; Q31-Q43 PolarHBondContact O-N 2.89Å; F33-Q43 HydrophobicContact CE2-CB 4.09Å; Q43-Q45 HydrophobicContact CG-CG 4.34Å
44N41.8Very low38.1Very low43 Ų4380.2 Ų80.223%0.2343%0.427CS..EExtended strand (participates in β ladder)trans-92.7113.9168-81.7-76000109.3E42 Q66E42-N44 PolarHBondContact OE1-ND2 3.01Å; N44-Q66 PolarHBondContact N-O 2.84Å; N44-Q66 PolarHBondContact O-N 2.99Å
45Q42.6Very low38Very low59 Ų5982.4 Ų82.428%0.27644%0.439SS..EExtended strand (participates in β ladder)trans-105.3123.9161.6-65.7-162.144.200108.9Q29 Q43Q29-Q45 PolarHBondContact N-O 3.13Å; Q29-Q45 VanDerWaalsContact N-O 3.13Å; Q43-Q45 HydrophobicContact CG-CG 4.34Å
46S37.2Very low37.7Very low17 Ų1781.6 Ų81.612%0.11944%0.435CS..EExtended strand (participates in β ladder)trans-115.7129.6171.7-59.90000109.2F26 S64F26-S46 WeakPolarHBondContact CZ-OG 3.45Å; S46-S64 PolarHBondContact N-O 2.91Å; S46-S64 PolarHBondContact O-N 3.22Å; S46-S64 VanDerWaalsContact O-N 3.09Å
47Q37Very low37.4Very low53 Ų5382.7 Ų82.725%0.24844%0.436CS..EExtended strand (participates in β ladder)trans-110.1126162.6-70.4-173.366.100108.7Q27 F49Q27-Q47 PolarHBondContact N-O 2.72Å; Q27-Q47 PolarHBondContact O-N 3.01Å; Q47-F49 HydrophobicContact CB-CE2 4.26Å; Q47-F49 HydrophobicContact CB-CZ 4.45Å
48S33.8Very low37.5Very low30 Ų3086.9 Ų86.921%0.2144%0.44CS..EExtended strand (participates in β ladder)trans-105.4137.2165.355.90000110.2
49F41.1Very low37.6Very low58 Ų5882.6 Ų82.625%0.25443%0.429SS..EExtended strand (participates in β ladder)trans-108.9133.2169.1-57.7-86.9000108.6Q25 Q47 I59Q25-F49 HydrophobicContact CB-CB 4.2Å; Q25-F49 HydrophobicContact CB-CD2 3.92Å; Q25-F49 PolarHBondContact O-N 2.66Å; Q47-F49 HydrophobicContact CB-CE2 4.26Å; Q47-F49 HydrophobicContact CB-CZ 4.45Å; F49-I59 HydrophobicContact CD1-CG2 4.17Å
50I38.8Very low37.9Very low59 Ų5984.1 Ų84.130%0.30343%0.432SS..EExtended strand (participates in β ladder)trans-107.3104.4174.8-57.8177.5000107.3Y24 I60Y24-I50 HydrophobicContact CE1-CG1 4.5Å; I50-I60 HydrophobicContact CD1-CB 4.34Å; I50-I60 HydrophobicContact CD1-CD1 4.43Å
51H37.9Very low38.3Very low101 Ų10185.5 Ų85.547%0.46844%0.438SS..  trans-88.4110.2167.3-99.780.7000109.3
52N34.4Very low38.1Very low116 Ų11689.2 Ų89.262%0.6245%0.453SS*.  trans-98.9112.5176.3-152.910.4000108.6N54N52-N54 PolarHBondContact O-N 3.07Å
53N36.6Very low38Very low136 Ų13692 Ų9273%0.72747%0.466SS*.  trans-77.612.5-167.8-750.5000114.9
54N36.9Very low37.8Very low127 Ų12793.2 Ų93.268%0.67948%0.478SS*.SBendtrans-116.7111.2175.4-71.1-15.7000110.3N52 G56N52-N54 PolarHBondContact O-N 3.07Å; N54-G56 VanDerWaalsContact C-N 3.34Å; N54-G56 PolarHBondContact O-N 3.12Å
55D31.9Very low37.8Very low181 Ų18196.5 Ų96.597%0.96849%0.492SS*.SBendtrans51.725.9153.7-56.5-28.8000119.9
56G32.6Very low37.6Very low36 Ų36100.6 Ų100.637%0.37151%0.511SS..  trans-178.3128166.100000115.8N54 H58N54-G56 VanDerWaalsContact C-N 3.34Å; N54-G56 PolarHBondContact O-N 3.12Å; G56-H58 PolarHBondContact O-N 2.9Å
57Q30.6Very low37.7Very low171 Ų171104.8 Ų104.880%0.79953%0.529SS*.  trans-73.868.9175.4-74.6-16873.200112.6I59Q57-I59 PolarHBondContact O-N 3.12Å; Q57-I59 VanDerWaalsContact O-N 3.12Å
58H40.4Very low37.6Very low146 Ų146104.6 Ų104.668%0.67653%0.534SS*.  trans-80.983.1168.4-85.3-85.9000111G56 I60G56-H58 PolarHBondContact O-N 2.9Å; H58-I60 VanDerWaalsContact C-N 3.3Å; H58-I60 PolarHBondContact O-N 3.04Å
59I39.2Very low37.7Very low106 Ų106109.9 Ų109.954%0.54456%0.555SS.*  trans-7087.7170.8-55.1177.9000108.9F49 Q57 Q61F49-I59 HydrophobicContact CD1-CG2 4.17Å; Q57-I59 PolarHBondContact O-N 3.12Å; Q57-I59 VanDerWaalsContact O-N 3.12Å; I59-Q61 PolarHBondContact O-N 3.25Å; I59-Q61 VanDerWaalsContact O-N 3.07Å
60I41.2Very low37.5Very low80 Ų80112 Ų11241%0.4157%0.565SS.*  trans-7988.3173.5-57.2178.1000108.6I50 H58 K62I50-I60 HydrophobicContact CD1-CB 4.34Å; I50-I60 HydrophobicContact CD1-CD1 4.43Å; H58-I60 VanDerWaalsContact C-N 3.3Å; H58-I60 PolarHBondContact O-N 3.04Å; I60-K62 HydrophobicContact CG2-CG 4.19Å; I60-K62 PolarHBondContact O-N 2.97Å; I60-K62 VanDerWaalsContact O-N 3.12Å
61Q39.7Very low37Very low125 Ų125112.8 Ų112.858%0.58458%0.577SS**  trans-74.895.3173.2-172.7-179.63700110.1I59I59-Q61 PolarHBondContact O-N 3.25Å; I59-Q61 VanDerWaalsContact O-N 3.07Å
62K40.4Very low36.8Very low137 Ų137115.3 Ų115.360%0.59658%0.583SS**EExtended strand (participates in β ladder)trans-89.4102.6166.1-77.7-176179-178.20109.4I60I60-K62 HydrophobicContact CG2-CG 4.19Å; I60-K62 PolarHBondContact O-N 2.97Å; I60-K62 VanDerWaalsContact O-N 3.12Å
63Q39.4Very low36.5Very low118 Ų118115 Ų11555%0.55159%0.59SS**EExtended strand (participates in β ladder)trans-84113.2164.2-172.8-179.223.400108.5
64S41Very low36.3Very low59 Ų59114.4 Ų114.441%0.41359%0.586SS.*EExtended strand (participates in β ladder)trans-99.3132.4163.569.10000109.9S46S46-S64 PolarHBondContact N-O 2.91Å; S46-S64 PolarHBondContact O-N 3.22Å; S46-S64 VanDerWaalsContact O-N 3.09Å
65Q40.9Very low35.9Very low111 Ų111117.1 Ų117.152%0.51959%0.594SS.*EExtended strand (participates in β ladder)trans-11892.1174-171.5177.2115.200108.1
66Q39.1Very low35.7Very low146 Ų146112.8 Ų112.868%0.68258%0.578SS**EExtended strand (participates in β ladder)trans-90.1105.1171.7-80.7-172.2-17.600109N44 S68N44-Q66 PolarHBondContact N-O 2.84Å; N44-Q66 PolarHBondContact O-N 2.99Å; Q66-S68 PolarHBondContact O-N 3.4Å
67Q38.8Very low35.5Very low104 Ų104119.3 Ų119.349%0.48660%0.599SS.*EExtended strand (participates in β ladder)trans-91.685.3173.3-172.918081.600109Q69Q67-Q69 PolarHBondContact O-N 2.83Å
68S34.3Very low35.3Very low50 Ų50117 Ų11735%0.3559%0.59SS.*EExtended strand (participates in β ladder)trans-85.1106.6178.4-159.80000110.5Q66 H70Q66-S68 PolarHBondContact O-N 3.4Å; S68-H70 PolarHBondContact O-N 2.96Å; S68-H70 PolarHBondContact OG-CD2 2.98Å; S68-H70 PolarHBondContact OG-NE2 3.05Å
69Q35.7Very low34.7Very low141 Ų141116.8 Ų116.866%0.65959%0.59SS**  trans-77.568.3177.4-67.2-165.848.100111.8Q67 S71Q67-Q69 PolarHBondContact O-N 2.83Å; Q69-S71 VanDerWaalsContact C-N 3.29Å; Q69-S71 PolarHBondContact O-N 3.01Å
70H37.3Very low34Very low101 Ų101121.1 Ų121.147%0.46860%0.601SS.*  trans-78.479.2167.9-67.5-62.8000110.6S68 Y72S68-H70 PolarHBondContact O-N 2.96Å; S68-H70 PolarHBondContact OG-CD2 2.98Å; S68-H70 PolarHBondContact OG-NE2 3.05Å; H70-Y72 HydrophobicContact CB-CD2 4.01Å; H70-Y72 HydrophobicContact CB-CE2 3.53Å; H70-Y72 VanDerWaalsContact O-CD2 3.28Å; H70-Y72 WeakPolarHBondContact O-CD2 3.24Å; H70-Y72 PolarHBondContact O-N 3.29Å
71S29.5Very low33.3Very low77 Ų77124.2 Ų124.254%0.53861%0.614SS.*  trans-68.577.8173.5-60.80000111.6Q69 S73Q69-S71 VanDerWaalsContact C-N 3.29Å; Q69-S71 PolarHBondContact O-N 3.01Å; S71-S73 PolarHBondContact O-N 2.85Å; S71-S73 VanDerWaalsContact O-N 3.07Å
72Y32.7Very low32.7Very low153 Ų153122.6 Ų122.660%0.662%0.616SS**  trans-69.199.3169.3-66.4-72.5000109.7H70 I74H70-Y72 HydrophobicContact CB-CD2 4.01Å; H70-Y72 HydrophobicContact CB-CE2 3.53Å; H70-Y72 VanDerWaalsContact O-CD2 3.28Å; H70-Y72 WeakPolarHBondContact O-CD2 3.24Å; H70-Y72 PolarHBondContact O-N 3.29Å; Y72-I74 VanDerWaalsContact C-N 3.31Å; Y72-I74 PolarHBondContact O-N 3.29Å
73S28.7Very low32Very low110 Ų110122 Ų12277%0.76962%0.619SS**  trans-72.382.3174.546.10000111S71 Q75S71-S73 PolarHBondContact O-N 2.85Å; S71-S73 VanDerWaalsContact O-N 3.07Å; S73-Q75 VanDerWaalsContact C-N 3.26Å; S73-Q75 PolarHBondContact O-N 3.26Å
74I31.1Very low31.4Very low124 Ų124121.3 Ų121.364%0.63662%0.619SS**  trans-69.286.6171.1-55.9179.2000108.2Y72 S76Y72-I74 VanDerWaalsContact C-N 3.31Å; Y72-I74 PolarHBondContact O-N 3.29Å; I74-S76 PolarHBondContact O-N 3.31Å
75Q28.6Very low30.7Very low183 Ų183127.6 Ų127.686%0.85564%0.635SS**  trans-65.1106.9174.1-171.7175.923.700108.7S73 Q77S73-Q75 VanDerWaalsContact C-N 3.26Å; S73-Q75 PolarHBondContact O-N 3.26Å; Q75-Q77 PolarHBondContact O-N 3.08Å
76S27.6Very low30.2Very low90 Ų90127.7 Ų127.763%0.62964%0.643SS**  trans-67.593.5-168-169.40000113.1I74 I78I74-S76 PolarHBondContact O-N 3.31Å; S76-I78 VanDerWaalsContact OG-CG1 3.3Å; S76-I78 WeakPolarHBondContact OG-CG1 3.35Å
77Q30Very low29.7Very low174 Ų174126.8 Ų126.881%0.81364%0.643SS**  trans-89.7100.5150.4-69.9-165.213.300108.2Q75 Q79Q75-Q77 PolarHBondContact O-N 3.08Å; Q77-Q79 PolarHBondContact O-N 2.98Å
78I26.3Very low29.2Very low121 Ų121129 Ų12962%0.62166%0.657SS**  trans-73.176172-50.8179.8000108.6S76 Y80S76-I78 VanDerWaalsContact OG-CG1 3.3Å; S76-I78 WeakPolarHBondContact OG-CG1 3.35Å; I78-Y80 HydrophobicContact CG2-CD2 4.12Å; I78-Y80 HydrophobicContact CG2-CE2 3.83Å
79Q26.6Very low29.1Very low143 Ų143135.9 Ų135.967%0.66868%0.684SS**  trans-81.7114.2163.9-169.817887.600107.9Q77 Q81Q77-Q79 PolarHBondContact O-N 2.98Å; Q79-Q81 VanDerWaalsContact C-N 3.25Å; Q79-Q81 PolarHBondContact O-N 3.07Å; Q79-Q81 VanDerWaalsContact OE1-NE2 3.12Å
80Y25Very low28.9Very low196 Ų196134.3 Ų134.377%0.76969%0.689SS**  trans-69.474.8-176.7-74.3-99.2000112.4I78 S82I78-Y80 HydrophobicContact CG2-CD2 4.12Å; I78-Y80 HydrophobicContact CG2-CE2 3.83Å; Y80-S82 PolarHBondContact O-N 3.14Å
81Q27.6Very low28.6Very low146 Ų146137.6 Ų137.668%0.68271%0.709SS**  trans-9056.7160.1-67.7-166.24900110Q79 L83Q79-Q81 VanDerWaalsContact C-N 3.25Å; Q79-Q81 PolarHBondContact O-N 3.07Å; Q79-Q81 VanDerWaalsContact OE1-NE2 3.12Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.17Å
82S26.3Very low28.6Very low91 Ų91139.4 Ų139.464%0.63672%0.716SS**  trans-62.5100.4159.150.60000107.7Y80 N84Y80-S82 PolarHBondContact O-N 3.14Å; S82-N84 PolarHBondContact O-N 3.43Å
83L26.4Very low28.4Very low125 Ų125138.9 Ų138.965%0.65472%0.724SS**  trans-66.372.4177.6-77.8165.3000110.8Q81 Y85Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.17Å; L83-Y85 VanDerWaalsContact C-N 3.29Å; L83-Y85 HydrophobicContact CB-CD2 4.01Å; L83-Y85 HydrophobicContact CB-CE2 3.86Å; L83-Y85 HydrophobicContact CD1-CE2 4.39Å; L83-Y85 HydrophobicContact CD2-CE2 4.08Å; L83-Y85 HydrophobicContact CG-CE2 4.34Å; L83-Y85 WeakPolarHBondContact O-CD2 3.43Å; L83-Y85 PolarHBondContact O-N 3.42Å
84N25.9Very low28.4Very low102 Ų102139 Ų13955%0.54572%0.722SS.*  trans-79.180.8179.6-166.5-23.9000109.3S82 T86S82-N84 PolarHBondContact O-N 3.43Å; N84-T86 PolarHBondContact O-N 3.24Å; N84-T86 VanDerWaalsContact OD1-CB 3.28Å; N84-T86 WeakPolarHBondContact OD1-CB 3.46Å; N84-T86 PolarHBondContact OD1-OG1 2.87Å
85Y26.8Very low28.4Very low191 Ų191140.2 Ų140.275%0.74973%0.725SS**THydrogen-bonded Turntrans-67.345.6176.4-81-80.7000113.2L83L83-Y85 VanDerWaalsContact C-N 3.29Å; L83-Y85 HydrophobicContact CB-CD2 4.01Å; L83-Y85 HydrophobicContact CB-CE2 3.86Å; L83-Y85 HydrophobicContact CD1-CE2 4.39Å; L83-Y85 HydrophobicContact CD2-CE2 4.08Å; L83-Y85 HydrophobicContact CG-CE2 4.34Å; L83-Y85 WeakPolarHBondContact O-CD2 3.43Å; L83-Y85 PolarHBondContact O-N 3.42Å
86T30.3Very low28.5Very low113 Ų113138 Ų13869%0.69372%0.719SS**THydrogen-bonded Turntrans-134.9-10.1-174.5-24.10000114.7N84N84-T86 PolarHBondContact O-N 3.24Å; N84-T86 VanDerWaalsContact OD1-CB 3.28Å; N84-T86 WeakPolarHBondContact OD1-CB 3.46Å; N84-T86 PolarHBondContact OD1-OG1 2.87Å
87N27.8Very low28.8Very low128 Ų128142 Ų14268%0.68473%0.728SS**SBendtrans-133.61.9-175.4-94.6-62.2000117Q89N87-Q89 PolarHBondContact O-N 3.27Å
88L29.9Very low28.6Very low149 Ų149141.3 Ų141.378%0.7873%0.73SS**THydrogen-bonded Turntrans-72.75.7-178.6-79.3167.4000115.2
89Q32Very low28.9Very low195 Ų195143 Ų14391%0.91174%0.74SS**THydrogen-bonded Turntrans-97.4-8.2-176.7-157.9163.286.900114N87N87-Q89 PolarHBondContact O-N 3.27Å
90S29.6Very low29.1Very low109 Ų109142.9 Ų142.976%0.76274%0.744SS**SBendtrans-99.11.1-177.3-166.40000115.4
91L31.4Very low29.5Very low170 Ų170137.5 Ų137.589%0.8974%0.735SS**SBendtrans-123.535.1-179.8-155.670.6000112.8
92V30.1Very low29.8Very low114 Ų114138.9 Ų138.969%0.69174%0.742SS**  trans-126.466.2175.2-166.40000109.6
93N29Very low30Very low142 Ų142142.1 Ų142.176%0.75975%0.75SS**  trans-125.178.1167.9-170.529.9000110.7Q95N93-Q95 PolarHBondContact O-N 2.97Å
94P29.1Very low30.4Very low113 Ų113141.9 Ų141.973%0.73476%0.756SS**  trans-91.178-172.436.2-34.2000111.9
95Q30.6Very low30.7Very low150 Ų150143 Ų14370%0.70177%0.766SS**  trans-154.2129.8177.5-121.7172.1-34.900113.6N93N93-Q95 PolarHBondContact O-N 2.97Å
96N29.7Very low31Very low137 Ų137140.9 Ų140.973%0.73377%0.768SS**  trans64.7129.8158.5-72.8-28.7000117.6
97Q33.9Very low30.9Very low174 Ų174140.1 Ų140.181%0.81376%0.763SS**  cis-142.5140.9-1.3-53.8-177-8400110.3
98N27.2Very low30.9Very low159 Ų159139.3 Ų139.385%0.8576%0.763SS**  trans-91.5123.6139-82.1-26.2000105.5
99D31.7Very low31Very low155 Ų155138.1 Ų138.183%0.82976%0.757SS**  trans-178.2164.5130.3-100.1-31.2000111.8
100D31Very low30.8Very low141 Ų141137 Ų13775%0.75475%0.752SS**  trans62.8103.9160.9-102.2-43.2000121.6
101S32.7Very low30.9Very low83 Ų83136.9 Ų136.958%0.5875%0.751SS**  84.4124.2117.8-84.40000122.7
102Q33.4Very low31.1Very low176 Ų176134.3 Ų134.382%0.82275%0.747SS**  trans78.6101.2139.6-65.4169.459.300119.4
103I32.4Very low31.1Very low159 Ų159132.2 Ų132.282%0.81575%0.749SS**  trans-67.3139.3148.9-56.2163.3000108.2V105I103-V105 HydrophobicContact CG2-CG2 4.46Å
104P33.9Very low31.6Very low119 Ų119130.6 Ų130.677%0.77375%0.749SS**  trans-127.2140.3130.135-29.1000112.6
105V33.3Very low32.1Very low126 Ų126133.8 Ų133.876%0.76475%0.754SS**  trans-78.9129.7161.6175.20000107.6I103I103-V105 HydrophobicContact CG2-CG2 4.46Å
106D31.6Very low32.4Very low146 Ų146134.1 Ų134.178%0.78176%0.759SS**  trans-154-175.3144.6-139.9-33.1000112.2
107T28.3Very low32.5Very low97 Ų97131.8 Ų131.860%0.59575%0.753SS**  trans-136.6156-143.455.80000113.8
108T28.8Very low32.7Very low111 Ų111129.9 Ų129.968%0.68175%0.749SS**  trans72.2149.9156.10.70000120
109N30.7Very low33Very low125 Ų125131.1 Ų131.167%0.66875%0.749SS**  trans71110144.4-70.9-26.4000122
110Q28.9Very low33.2Very low172 Ų172127.6 Ų127.680%0.80474%0.742SS**  88.3125.7116.1-72.5-175.3-6.100122
111S30.8Very low33.5Very low106 Ų106130 Ų13074%0.74175%0.749SS**  trans93.7148.3131.4-157.80000120.1
112S35.3Very low33.6Very low115 Ų115131.6 Ų131.680%0.80476%0.76SS**  trans72.7119.5165.7-34.50000116.5
113G30.6Very low33.9Very low70 Ų70128.8 Ų128.872%0.72276%0.756SS**  cis126.5102.2-12.200000115.4
114S40.4Very low34Very low109 Ų109126.6 Ų126.676%0.76276%0.755SS**  trans-167.4124.3160.3-76.40000107
115Q39.3Very low34.2Very low179 Ų179129.8 Ų129.884%0.83676%0.76SS**  65.2130.167.2-63.7-175.371.700111.1
116I36.6Very low34.6Very low157 Ų157129.4 Ų129.481%0.80576%0.763SS**  cis-150.3156.724.6-66-179.8000107.7
117S32Very low34.8Very low88 Ų88125.4 Ų125.462%0.61576%0.756SS**  cis-178.5178.7-21.8-1780000109
118N37.5Very low35.1Very low134 Ų134127 Ų12772%0.71777%0.766SS**  trans80.3120.7165.2-46.5-15.4000115.9
119Q34.4Very low35.6Very low185 Ų185127.9 Ų127.986%0.86477%0.766SS**  78.1135.150.1-70-167.27.400114.4
120A35.4Very low36.2Very low81 Ų81129 Ų12967%0.66977%0.771SS**  cis-166.1-167.6-800000111.6
121E37.3Very low36.7Very low193 Ų193126.4 Ų126.490%0.90276%0.763SS**  trans87.7122.9158.2-52.8-172118.500120.2
122S35.3Very low37.2Very low116 Ų116127.4 Ų127.481%0.81177%0.767SS**  trans-115.3165.1160.1-46.30000107.9
123P39.4Very low37.5Very low116 Ų116125.9 Ų125.975%0.75376%0.756SS**  -163.4165.485.642.6-21.9000119.7
124S34.3Very low37.8Very low113 Ų113130.3 Ų130.379%0.7976%0.762SS**  trans71.5157.5139.6-69.50000124.3
125Q38.9Very low37.9Very low187 Ų187130.9 Ų130.987%0.87476%0.763SS**  trans83.1138.9167.6-61-173.6-18.300118.9
126S40.3Very low37.9Very low117 Ų117130.3 Ų130.382%0.81877%0.766SS**  cis-176.9136.7-38.3410000111.9
127G37.4Very low37.7Very low62 Ų62128.1 Ų128.164%0.63976%0.755SS**  trans137.5116.6165.600000112.2
128T33.4Very low37.8Very low131 Ų131131.3 Ų131.380%0.80476%0.76SS**  63.9123.866.964.90000112.4
129D39Very low37.8Very low130 Ų130132.6 Ų132.670%0.69576%0.762SS**  cis-155.6160.925.5-103.4-26.7000114.4
130I43.6Very low37.9Very low149 Ų149130.4 Ų130.476%0.76475%0.752SS**  trans47.3132.3135.9-59.5165.6000118.8
131D38.8Very low38.1Very low117 Ų117134 Ų13463%0.62676%0.755SS**  cis-154.4147.313.6-163.2-21.3000110.8
132P41.5Very low38.2Very low127 Ų127133.4 Ų133.483%0.82575%0.752SS**  trans-119.390.9164.637.3-23.5000114.2
133S42Very low38.3Very low82 Ų82137.1 Ų137.157%0.57376%0.757SS**  trans-138.8108.9170.5520000110.7
134L38Very low38.2Very low164 Ų164136 Ų13686%0.85976%0.757SS**  86.8138.690.1-82.1161.6000113.4
135P42.3Very low38.4Very low120 Ų120136.5 Ų136.578%0.77976%0.756SS**  trans-89.5150.6-169.835.9-35.1000113
136D38.8Very low38.2Very low167 Ų167135.5 Ų135.589%0.89375%0.751SS**  trans-136.6170168.2-150.9-10.8000111.5
137N32.9Very low38Very low111 Ų111137.9 Ų137.959%0.59475%0.753SS**  trans-140.7144.2-137.6-166.613.6000114.6
138H33.9Very low38.4Very low155 Ų155140.8 Ų140.872%0.71876%0.761SS**  trans68.9157167.1-54.9-54.3000120.8
139Q36.7Very low38.4Very low162 Ų162143.7 Ų143.776%0.75777%0.766SS**  trans91.6109.3150.8-75.6-171.295.800122.8
140Q37.1Very low38.3Very low138 Ų138146.4 Ų146.465%0.64577%0.774SS**  94.6147.8128.9-72-169.74400122.2
141Q39.1Very low37.9Very low156 Ų156144.3 Ų144.373%0.72977%0.773SS**  trans64.5108.2166.1-65.715655.300115.3
142Q39Very low37.8Very low182 Ų182147 Ų14785%0.8578%0.782SS**  61.1104.652.8-63.3-166.752.300115.8
143Q36.9Very low37.4Very low193 Ų193147.6 Ų147.690%0.90278%0.778SS**  trans179.7152.3131-102.4164.860.600113.6
144A37.6Very low37.1Very low92 Ų92149 Ų14976%0.7679%0.788SS**  trans63.6154.5166.200000117.9
145T38.4Very low37.1Very low125 Ų125149.2 Ų149.277%0.76779%0.785SS**  cis-134.2150.910.7-55.90000112.2
146E36Very low36.6Very low166 Ų166151.7 Ų151.778%0.77679%0.786SS**PPolyproline II helixtrans-51.1155.7-166.8-63.1110.8102.800121.7
147L35.2Very low36.4Very low166 Ų166149.9 Ų149.987%0.86977%0.772SS**PPolyproline II helixtrans-89.2136.3149.2-84.9157.9000109.8
148P46.4Very low36.7Very low124 Ų124154.2 Ų154.281%0.80579%0.788SS**PPolyproline II helixtrans-82.4125169.731.3-31.5000112.1
149Q34.3Very low36.8Very low191 Ų191152.3 Ų152.389%0.89378%0.78SS**  trans-112.7100.9161.6-85.3-168.2-29.600109.3
150E36.4Very low36.8Very low187 Ų187152.2 Ų152.287%0.87478%0.779SS**  trans-158.7138.5168.6-105.1173.8146.700107.1
151S35.9Very low37Very low106 Ų106154.9 Ų154.974%0.74179%0.792SS**  cis-141.61544.7-55.90000111.7
152Q36.1Very low36.7Very low172 Ų172155.8 Ų155.880%0.80480%0.796SS**  trans-82.4166.2159.8-74.3-175.7-114.100111.3
153D31.9Very low36.6Very low141 Ų141152 Ų15275%0.75479%0.788SS**  trans49.498158.7-72.9-65.2000118.5
154S35.6Very low36.4Very low111 Ų111147.6 Ų147.678%0.77677%0.774SS**  trans-152.7106.4147.9-85.30000112.3
155Q39.2Very low36.2Very low169 Ų169151 Ų15179%0.7977%0.774SS**  trans61.3111.2146.1-60.2-165.4107.800116.8
156Q31.6Very low36Very low172 Ų172152.7 Ų152.780%0.80477%0.773SS**  cis34.6111.142.6-81.5-154.236.800113.8
157Q34.3Very low35.8Very low128 Ų128150 Ų15060%0.59877%0.768SS**  trans87.864.9173.4-49.2-179.250.100117.7Q159Q157-Q159 HydrophobicContact CB-CB 4.24Å; Q157-Q159 HydrophobicContact CB-CG 3.96Å; Q157-Q159 HydrophobicContact CG-CG 4.36Å
158Q38.5Very low35.6Very low202 Ų202149.1 Ų149.194%0.94476%0.76SS**  -117.189.6124-69.3-177.460.800104.8
159Q36.6Very low34.9Very low115 Ų115150.4 Ų150.454%0.53776%0.76SS.*  cis60.910743.8-101.8-143.169.800113Q157Q157-Q159 HydrophobicContact CB-CB 4.24Å; Q157-Q159 HydrophobicContact CB-CG 3.96Å; Q157-Q159 HydrophobicContact CG-CG 4.36Å
160Q37.5Very low34.8Very low160 Ų160149.2 Ų149.275%0.74875%0.754SS**  trans67.9118.1164.5-49.2-179.857.800114.9
161Q41Very low34.7Very low194 Ų194144.8 Ų144.891%0.90775%0.75SS**  cis-137.9149.748.7-74.5149.585.800115.2
162Q33.1Very low34.6Very low175 Ų175146.8 Ų146.882%0.81875%0.752SS**  trans-92.7-168.7165.5-115.5-174.7-1400109
163P36.6Very low34.6Very low104 Ų104144.3 Ų144.368%0.67575%0.753SS**  cis-135.6164.4-319.86.3000117.6
164T31.7Very low34.6Very low99 Ų99143 Ų14361%0.60775%0.752SS**  27.5128.6129.4-38.70000122.4
165Q34.5Very low34.4Very low165 Ų165145.7 Ų145.777%0.77175%0.753SS**  -177.7130.6123.4-97.9152.8124.800109.3
166E34.4Very low34.1Very low160 Ų160143.8 Ų143.875%0.74875%0.747SS**  68.1140.586.8-66.5-171.5162.200113.9
167T31.5Very low34.1Very low110 Ų110143.4 Ų143.468%0.67575%0.746SS**  cis-159.9174.8-3.4-104.30000111.2
168Q29.9Very low34Very low146 Ų146144.3 Ų144.368%0.68275%0.753SS**  trans-45.4153176.1-56.8150.6-94.800116.7
169N33.3Very low33.7Very low151 Ų151138.6 Ų138.681%0.80774%0.736SS**  trans-168.1123.7132.2-83.3-35.3000106.1
170E31.9Very low33.4Very low167 Ų167139.4 Ų139.478%0.7875%0.751SS**  64.3103.263.6-70.3-170.267.100114.5
171A33.5Very low33.1Very low94 Ų94138.8 Ų138.878%0.77775%0.748SS**  178.3122.6123.200000113.5
172D35Very low32.7Very low148 Ų148137.8 Ų137.879%0.79174%0.741SS**  trans20.3120.2147.3-55-51.8000122.8
173S34.3Very low32.4Very low119 Ų119135.9 Ų135.983%0.83274%0.737SS**  177.6115.1104.6-74.60000113.6
174P32.5Very low32.1Very low113 Ų113137.8 Ų137.873%0.73474%0.736SS**  trans-99.7-162.1169.239.4-34.1000112.7
175H32.4Very low31.9Very low169 Ų169138.4 Ų138.478%0.78275%0.745SS**  trans71.8135.6-177.6-88.6-125.3000115
176L33.1Very low31.6Very low129 Ų129138.2 Ų138.268%0.67574%0.744SS**  cis-137.9150.3-5.2-76.8126.9000107.5
177E29.8Very low31.4Very low164 Ų164135.7 Ų135.777%0.76674%0.744SS**  41.7131.480.7-61.3-163.9109.100114.4
178L33.2Very low31Very low146 Ų146137.2 Ų137.276%0.76475%0.748SS**  cis-148.2152.241.2-75.8162.7000115.2
179S31.1Very low30.8Very low83 Ų83137 Ų13758%0.5875%0.751SS**  trans50.4109.4142.4-57.60000123
180P31Very low30.3Very low131 Ų131134.6 Ų134.685%0.85175%0.746SS**  trans-85.7131.4144.333.9-28.9000110.7
181Q31.4Very low29.9Very low148 Ų148133.7 Ų133.769%0.69275%0.747SS**  trans-151.4120.4-179.8-86.5-154.4-103.500114.7
182F32.6Very low29.6Very low173 Ų173134.1 Ų134.176%0.75974%0.744SS**  trans53.9143.4142.2-65.9-90.4000120
183D27.8Very low29.1Very low135 Ų135134 Ų13472%0.72274%0.742SS**  cis-171.3-162.6-13.1-161-12.9000107.5
184Q28.7Very low28.7Very low143 Ų143135.7 Ų135.767%0.66874%0.741SS**  trans77.774.5165.5-61.1-178.224.400116.4H186Q184-H186 PolarHBondContact O-N 3.42Å
185S27.3Very low28.5Very low112 Ų112136.8 Ų136.878%0.78375%0.745SS**  trans-55.5116.8138.755.90000110.6
186H29.5Very low28.2Very low162 Ų162136.5 Ų136.575%0.7574%0.744SS**  trans-126.4121.9163.9-86.7-57.3000110.8Q184Q184-H186 PolarHBondContact O-N 3.42Å
187S28.8Very low27.9Very low107 Ų107136.4 Ų136.475%0.74875%0.751SS**  trans-91.2150.2175.952.20000111.6
188N24.7Very low27.8Very low141 Ų141136.9 Ų136.975%0.75475%0.753SS**  trans64.8137.4165-69.9-8.8000119.9
189N25.1Very low27.6Very low142 Ų142135.7 Ų135.776%0.75976%0.757SS**  trans73.2111.4149.4-64.4-9.6000120.1
190S22.7Very low27.5Very low100 Ų100136.7 Ų136.770%0.69977%0.765SS**  trans84.4114.5132.9-56.50000119.9
191N23.8Very low27.5Very low149 Ų149140.1 Ų140.180%0.79777%0.769SS**  trans48102.8137.7-57-4.5000118.8
192S26.3Very low27.3Very low103 Ų103141.3 Ų141.372%0.7278%0.775SS**  156.7119.2102.3-67.40000115.4
193I25.7Very low27.2Very low146 Ų146139.3 Ų139.375%0.74978%0.782SS**  64130.7125-61.5165.2000120.9
194L25Very low27.1Very low154 Ų154141 Ų14181%0.80679%0.785SS**  trans70.4152.3168.1-10157.9000115.8
195V29Very low27.2Very low136 Ų136143 Ų14382%0.82480%0.795SS**  cis-129.7148.825.9176.10000113.3
196Q26.1Very low27.2Very low162 Ų162144.5 Ų144.576%0.75779%0.793SS**  trans-92.3151.8170.9-68.9178.2-20.400113
197P26.8Very low27.1Very low127 Ų127143.9 Ų143.983%0.82579%0.791SS**  trans-92.4153.6146.335.1-29000111.6
198Q26.7Very low27.2Very low174 Ų174144.5 Ų144.581%0.81379%0.786SS**  trans-106.7149.6-174.5-57.3169.4-96.800112.7
199S29.7Very low27.3Very low121 Ų121143.8 Ų143.885%0.84678%0.782SS**  trans-146138.7144.258.20000109.2
200S28.3Very low27.6Very low105 Ų105144.9 Ų144.973%0.73478%0.783SS**  trans-152.4117.8-172.8-55.30000110.2
201E32.7Very low28Very low202 Ų202145.8 Ų145.894%0.94478%0.779SS**  trans-132.9112.6163.7-70.8-16393.400109.5
202Q25.7Very low28.3Very low174 Ų174146.6 Ų146.681%0.81378%0.778SS**  trans-86.9146.2165.9-64.3173.3-101.600108.9
203S30.8Very low28.5Very low130 Ų130146.9 Ų146.991%0.90978%0.78SS**  trans-151.1124.4151.8-80.70000108.6
204Q25.2Very low28.9Very low170 Ų170144.3 Ų144.379%0.79478%0.776SS**  trans-148.673.2-165.5-167.5166.833.400110.9
205E30.6Very low29.2Very low186 Ų186144.9 Ų144.987%0.86977%0.774SS**  trans-128.8117166.2-78.2174.681.700106.3
206L27.8Very low29.2Very low143 Ų143145.2 Ų145.275%0.74977%0.767SS**  93.713255.2-80.6174.2000112.5
207Q28.2Very low29.4Very low149 Ų149143.6 Ų143.670%0.69676%0.762SS**  trans82.2137.2153.7-122.865.517.700121.7
208D30.8Very low29.4Very low120 Ų120144.7 Ų144.764%0.64276%0.757SS**  trans7394.3146.1-69-22.6000123
209N27.3Very low29.4Very low126 Ų126141.6 Ų141.667%0.67475%0.754SS**  97.7133.7111.6-74.3-40.6000122
210Q29.6Very low29.2Very low166 Ų166142.7 Ų142.778%0.77675%0.746SS**  trans72139.6148.2-70176.6-14.400118.4
211D32.1Very low29.2Very low118 Ų118144.8 Ų144.863%0.63175%0.747SS**  cis-155.2150.3-6.8-127.9-18.7000115.5
212Q29.9Very low28.8Very low166 Ų166143.1 Ų143.178%0.77674%0.74SS**  trans46.1142.8155.3-42-153.5100124.8
213S30.8Very low28.8Very low109 Ų109143.7 Ų143.776%0.76274%0.742SS**  trans84.9124.5144.5-151.40000118
214S34.5Very low28.6Very low93 Ų93142 Ų14265%0.6573%0.729SS**  cis-161.8134.1-8.2-97.10000111.6
215Q31Very low28.7Very low166 Ų166141 Ų14178%0.77672%0.724SS**  trans55.5141147.1-54.6-162.5118.200119.8
216Q28.6Very low28.5Very low143 Ų143140.3 Ų140.367%0.66872%0.72SS**  cis-162.5142.1-3.8-120.2-179.9-62.900109.4
217L29.4Very low28.2Very low127 Ų127141.8 Ų141.867%0.66573%0.728SS**  trans57.3113.2156.9-52.6172.2000117.4
218Q26.7Very low27.9Very low151 Ų151141.3 Ų141.371%0.70673%0.73SS**  61.1136.570.5-64.6177.3-47.800113.4
219S28.7Very low27.6Very low109 Ų109143.1 Ų143.176%0.76274%0.739SS**  cis-101147.618.6-52.20000113.6
220E25.2Very low27.4Very low144 Ų144141.9 Ų141.967%0.67374%0.74SS**  44.5120.578-64.6177.484.300112.5
221I27.1Very low27.3Very low148 Ų148139 Ų13976%0.75974%0.736SS**  -138.2131.661.2-72.2152.8000113.6
222Q25.2Very low27Very low168 Ų168142 Ų14279%0.78575%0.746SS**  trans26.3113.9146.8-56.9161.447.200120.2
223Q26.3Very low26.7Very low185 Ų185141.8 Ų141.886%0.86474%0.743SS**  trans-80.6162.3138.7-67.2-161.5-1.600109.6
224P26.2Very low26.4Very low96 Ų96143.4 Ų143.462%0.62374%0.743SS**  -154.3173.6101.237.5-18.3000117.4
225H26.9Very low25.9Very low149 Ų149148.1 Ų148.169%0.6975%0.754SS**  trans76.6120.1162.7-53-48.8000117.9
226Q25.3Very low25.5Very low171 Ų171145.4 Ų145.480%0.79975%0.754SS**  56.6112.894.2-58.9180125.900112.9
227L21.8Very low25.3Very low173 Ų173148.5 Ų148.591%0.90677%0.768SS**  cis74.963.338.2-147.5175.8000113.7
228D22.5Very low25Very low140 Ų140146.5 Ų146.575%0.74977%0.765SS**  trans-159-170.7140.8-161.7-0.2000107.9
229L25Very low24.8Very low158 Ų158146.8 Ų146.883%0.82777%0.771SS**  trans92.293.8174.4-52.7-175.6000116.4
230S23.5Very low24.4Very low100 Ų100149.8 Ų149.870%0.69978%0.777SS**  trans-48149168.4-50.10000115.1Q232S230-Q232 PolarHBondContact O-N 2.9Å
231P26.2Very low24.2Very low104 Ų104147.3 Ų147.368%0.67578%0.776SS**  trans-7392.8170.331.2-34000110.7F233P231-F233 HydrophobicContact CB-CD2 4.38Å; P231-F233 HydrophobicContact CB-CE2 4.01Å; P231-F233 HydrophobicContact CG-CE2 4.2Å; P231-F233 WeakPolarHBondContact O-CD2 3.44Å; P231-F233 PolarHBondContact O-N 3.38Å; P231-F233 VanDerWaalsContact O-N 3.07Å
232Q25.3Very low23.9Very low182 Ų182146.3 Ų146.385%0.8577%0.772SS**  trans-76.389.7168.9-174.5171.5-13.700109.3S230 D234S230-Q232 PolarHBondContact O-N 2.9Å; Q232-D234 PolarHBondContact O-N 3.31Å
233F24.7Very low23.9Very low162 Ų162146.4 Ų146.471%0.71178%0.777SS**  trans-61.8113.1173.8-72.5-88.2000110.6P231P231-F233 HydrophobicContact CB-CD2 4.38Å; P231-F233 HydrophobicContact CB-CE2 4.01Å; P231-F233 HydrophobicContact CG-CE2 4.2Å; P231-F233 WeakPolarHBondContact O-CD2 3.44Å; P231-F233 PolarHBondContact O-N 3.38Å; P231-F233 VanDerWaalsContact O-N 3.07Å
234D25Very low23.7Very low142 Ų142144.4 Ų144.476%0.75977%0.771SS**  trans-118.5147.5166.9-155.5-10.3000110.2Q232 S236Q232-D234 PolarHBondContact O-N 3.31Å; D234-S236 PolarHBondContact O-N 3.11Å
235Q23.6Very low23.6Very low192 Ų192147.2 Ų147.290%0.89778%0.78SS**  trans-88.4109-156.3-61.9-176.213.700112.8
236S23.6Very low23.4Very low109 Ų109145.2 Ų145.276%0.76278%0.778SS**  trans-136.7138.8160.961.40000110.6D234 S238D234-S236 PolarHBondContact O-N 3.11Å; S236-S238 PolarHBondContact O-N 3.48Å
237Q23.5Very low23.3Very low208 Ų208144.9 Ų144.997%0.97278%0.776SS**  trans-81.7103.4-173.8-64.7-174.221.800111
238S23.8Very low23.4Very low85 Ų85143.3 Ų143.359%0.59477%0.768SS**  trans-123.2143.2156.671.60000110.1S236S236-S238 PolarHBondContact O-N 3.48Å
239N21.4Very low23.4Very low157 Ų157143.5 Ų143.584%0.8477%0.769SS**SBendtrans-83.8135.8167.8-71.1-73.6000108.1
240I20.4Very low23.4Very low172 Ų172141.1 Ų141.188%0.88277%0.766SS**SBendtrans72.187174.9-45.2165.8000113.8
241S20.8Very low23.3Very low93 Ų93142.1 Ų142.165%0.6577%0.772SS**  trans-150175.8161.3-96.20000109.9
242D22.1Very low23.4Very low127 Ų127146 Ų14668%0.67978%0.779SS**  trans72.249.2166.5-55-11.7000118.4
243L24Very low23.3Very low169 Ų169145.5 Ų145.589%0.88578%0.776SS**  trans-126.7112.8145.3-164.969.7000111.2
244I23.2Very low23.3Very low144 Ų144143.7 Ų143.774%0.73878%0.784SS**  trans-74.9136.1-174.2-64.1172.9000110.8V246I244-V246 HydrophobicContact CG2-CG2 4.21Å; I244-V246 PolarHBondContact O-N 2.92Å
245L23Very low23.2Very low155 Ų155146.8 Ų146.881%0.81279%0.785SS**  trans-69.8108.1168.6-81.380.4000110.3
246V23.1Very low23.4Very low107 Ų107146.7 Ų146.765%0.64879%0.785SS**  trans-104.580.4168-178.40000108.8I244 L248I244-V246 HydrophobicContact CG2-CG2 4.21Å; I244-V246 PolarHBondContact O-N 2.92Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 HydrophobicContact CG1-CD1 3.71Å; V246-L248 HydrophobicContact CG1-CG 3.81Å; V246-L248 PolarHBondContact O-N 3.3Å
247Q23Very low23.8Very low164 Ų164148.7 Ų148.777%0.76679%0.785SS**  trans-79.577.4-179.4-171.2174.6-2.100111.2N249Q247-N249 PolarHBondContact O-N 3.34Å
248L23.4Very low23.9Very low139 Ų139147.1 Ų147.173%0.72878%0.778SS**  trans-90102.3176.4-75.6170.9000111.8V246 S250V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 HydrophobicContact CG1-CD1 3.71Å; V246-L248 HydrophobicContact CG1-CG 3.81Å; V246-L248 PolarHBondContact O-N 3.3Å; L248-S250 PolarHBondContact O-N 2.9Å
249N22.3Very low24.2Very low145 Ų145150.9 Ų150.978%0.77579%0.791SS**  trans-58.2131.9160.4-71.8-38.5000109.4Q247Q247-N249 PolarHBondContact O-N 3.34Å
250S24.9Very low24.4Very low108 Ų108150.1 Ų150.176%0.75579%0.787SS**  trans-144.186.5174.8-83.80000111.5L248 K252L248-S250 PolarHBondContact O-N 2.9Å; S250-K252 PolarHBondContact O-N 3.48Å
251S22.2Very low24.8Very low120 Ų120150.8 Ų150.884%0.83979%0.786SS**  trans-77105.1175.437.70000112
252K27.5Very low25Very low186 Ų186153 Ų15381%0.80979%0.791SS**  trans-139.2115.8161-61.3-179.1-177.1175.90105.7S250S250-K252 PolarHBondContact O-N 3.48Å
253Q23.3Very low25.2Very low171 Ų171155.2 Ų155.280%0.79980%0.797SS**  cis6162.847.1-155.1-177.631.600113.4
254S26.2Very low25.3Very low124 Ų124152.5 Ų152.587%0.86779%0.793SS**  trans-91.3127.7157-61.60000109
255R23.2Very low25.6Very low208 Ų208153.4 Ų153.479%0.78580%0.798SS**  trans-140.992.1-176.3176-138.3-89.7176.2-8.1110
256E26.5Very low25.8Very low190 Ų190151.3 Ų151.389%0.88879%0.794SS**  trans-174.5145.8175.6-105.3155.7-176.400105.8
257I31.4Very low25.8Very low151 Ų151154.4 Ų154.477%0.77480%0.801SS**  cis-136.51091.1-46175.4000105.4
258Q26.1Very low26Very low175 Ų175154.9 Ų154.982%0.81881%0.808SS**  35.8100.9104.4-175.3151.5-900116.8
259D30.5Very low26.1Very low164 Ų164156.3 Ų156.388%0.87781%0.811SS**  trans-149.6131.8142.4-120.2-25.7000111.9
260N25.4Very low26.4Very low140 Ų140153.8 Ų153.875%0.74980%0.802SS**  trans-117.1125.4174.4-87.3-26.8000107.6
261Q29.4Very low26.4Very low186 Ų186156 Ų15687%0.86980%0.801SS**  168.4147.7118.5-93.117840.600112.4
262D24.8Very low26.4Very low141 Ų141157.4 Ų157.475%0.75480%0.797SS**  trans-64139.1164-55-93.5000111.8
263Q26Very low26.2Very low173 Ų173155.8 Ų155.881%0.80879%0.793SS**  174.5144.3104.3-94.5165.4100.400113.8
264S25.7Very low26.5Very low112 Ų112153.1 Ų153.178%0.78378%0.78SS**  trans54.6122.1151.158.70000121.1
265L29.4Very low26.5Very low163 Ų163152.5 Ų152.585%0.85377%0.773SS**  trans-46.6154.9146.7-100.278.8000111.8
266P28.2Very low26.5Very low111 Ų111148.9 Ų148.972%0.72177%0.765SS**  -153171.957.741.8-21.5000119.7
267Q23.2Very low26.4Very low171 Ų171147.3 Ų147.380%0.79976%0.757SS**  trans24.8129.3150.6-63.6-173.138.300121.5
268L26.5Very low26.1Very low175 Ų175147.1 Ų147.192%0.91676%0.756SS**  -146.7153.8128.3-105.3169.4000110.4
269Q24.5Very low25.9Very low169 Ų169144.2 Ų144.279%0.7975%0.746SS**  trans-143.3174.3-172.9-122.1-178.41.400107.5
270P29.8Very low25.8Very low91 Ų91144.3 Ų144.359%0.59175%0.746SS**  cis-137.8-165.7-5.543.3-25000114.4
271E24Very low25.6Very low156 Ų156142 Ų14273%0.72974%0.741SS**  trans67149.9156.9-71.5177.4101.100119.3
272I23.8Very low25.3Very low148 Ų148138 Ų13876%0.75973%0.734SS**  cis-121.4118.79.7-61.8169.8000112.1
273Q22.9Very low25.3Very low153 Ų153139.5 Ų139.572%0.71574%0.736SS**  trans23.4119.7143.7-64.5176.961.500121.5
274Q28.3Very low25.2Very low115 Ų115141.8 Ų141.854%0.53774%0.744SS.*  162.5-158.1123-59-86.5-37.100115H276Q274-H276 PolarHBondContact NE2-CD2 3.02Å; Q274-H276 VanDerWaalsContact NE2-CD2 3.26Å; Q274-H276 PolarHBondContact NE2-NE2 3.29Å; Q274-H276 PolarHBondContact OE1-CD2 3.02Å
275P26Very low25.1Very low111 Ų111142.6 Ų142.672%0.72174%0.739SS**  trans-84.7151.1-145.434.8-39.4000113.3
276H25.1Very low24.7Very low132 Ų132142.3 Ų142.361%0.61173%0.734SS**  cis73.7130.639.6-66.6-9.4000113.2Q274Q274-H276 PolarHBondContact NE2-CD2 3.02Å; Q274-H276 VanDerWaalsContact NE2-CD2 3.26Å; Q274-H276 PolarHBondContact NE2-NE2 3.29Å; Q274-H276 PolarHBondContact OE1-CD2 3.02Å
277Q24.3Very low24.4Very low156 Ų156142.9 Ų142.973%0.72974%0.74SS**  cis-149.5172.2-0.9-111.1162.632.400107.5
278I23.7Very low24.4Very low147 Ų147143.5 Ų143.575%0.75474%0.743SS**  cis-141.9-178.720.2-154.3162.6000111.3
279D22.2Very low24.2Very low114 Ų114139.8 Ų139.861%0.6173%0.732SS**  trans-122.5150.1176.3-174.78.5000110.5S281D279-S281 PolarHBondContact OD1-N 3.43Å; D279-S281 PolarHBondContact OD2-OG 2.85Å
280L27.7Very low24.1Very low166 Ų166138.3 Ų138.387%0.86973%0.729SS**  trans-135.638.4172-77.7-179.7000112.1S282L280-S282 PolarHBondContact O-N 3.34Å
281S21.8Very low23.7Very low93 Ų93141.9 Ų141.965%0.6574%0.742SS**  trans-63.195.4167.567.90000112.3D279D279-S281 PolarHBondContact OD1-N 3.43Å; D279-S281 PolarHBondContact OD2-OG 2.85Å
282S23.6Very low23.7Very low102 Ų102139 Ų13971%0.71374%0.739SS**  trans-177149.5144.849.10000111.6L280L280-S282 PolarHBondContact O-N 3.34Å
283Q24.3Very low23.7Very low172 Ų172139.3 Ų139.380%0.80474%0.742SS**  trans61.394.2178.8-52.7-176.847.100115.1
284F25.1Very low23.8Very low220 Ų220140.3 Ų140.397%0.96575%0.752SS**  -164.878.8121.8-96.1-61.4000108.7
285D22.6Very low23.5Very low129 Ų129141.3 Ų141.369%0.6976%0.759SS**  trans-83145.6170.2-168.6-1.2000109.2
286Q22Very low23.4Very low158 Ų158142.3 Ų142.374%0.73876%0.758SS**  trans40101.1171.7-72.9151.976.900118.1
287S21.3Very low23.3Very low123 Ų123143.1 Ų143.186%0.8677%0.772SS**  175.1162.9101.148.50000114.9
288Q23.4Very low23.4Very low183 Ų183144 Ų14486%0.85578%0.776SS**  trans-38.8130.8-171.5-53.4-177.218.500118.1
289S21.4Very low23.2Very low98 Ų98144.1 Ų144.169%0.68578%0.777SS**  trans41.4107.8145.362.90000119.2
290N22.6Very low23.3Very low137 Ų137146.1 Ų146.173%0.73379%0.788SS**  trans-164.2104.4134.9-102.6-49.5000113.1S292N290-S292 PolarHBondContact O-N 3.33Å; N290-S292 PolarHBondContact O-OG 2.89Å; N290-S292 VanDerWaalsContact O-OG 3.08Å
291I22.5Very low23.2Very low167 Ų167143.6 Ų143.686%0.85678%0.784SS**SBendtrans25.769.8144.5-44.2177.3000114.5
292S23.2Very low23.4Very low95 Ų95144.2 Ų144.266%0.66479%0.789SS**  trans-143.4-16.1176.4-66.30000114.3N290 L294N290-S292 PolarHBondContact O-N 3.33Å; N290-S292 PolarHBondContact O-OG 2.89Å; N290-S292 VanDerWaalsContact O-OG 3.08Å; S292-L294 PolarHBondContact O-N 3.32Å
293D24.3Very low23.5Very low154 Ų154149.6 Ų149.682%0.82480%0.799SS**  trans-71.79.8-178.9-50.8-63.6000114.7I295D293-I295 PolarHBondContact O-N 3.48Å
294L24.1Very low23.7Very low175 Ų175150 Ų15092%0.91680%0.801SS**  trans-79.132.8175.3-15971.7000112.4S292S292-L294 PolarHBondContact O-N 3.32Å
295I22.1Very low23.7Very low135 Ų135143.7 Ų143.769%0.69278%0.784SS**SBendtrans-137.5122174.4-64.1-174.7000109D293D293-I295 PolarHBondContact O-N 3.48Å
296L23.4Very low24Very low133 Ų133147.9 Ų147.970%0.69679%0.79SS**SBendtrans70.642163.1-66.7168.7000120Q298L296-Q298 VanDerWaalsContact C-N 3.31Å
297V23.6Very low24.4Very low149 Ų149148.2 Ų148.290%0.90379%0.792SS**  trans-100.845.7142.7-163.30000110.4
298Q26.1Very low24.7Very low173 Ų173148.4 Ų148.481%0.80878%0.782SS**  trans-113.533.5-179.5-157.8178.2-6.700112.4L296L296-Q298 VanDerWaalsContact C-N 3.31Å
299L20.9Very low25Very low150 Ų150146.4 Ų146.479%0.78577%0.773SS**  trans-136.270.9178.6-72.6177.3000111.4
300N24.1Very low25.4Very low157 Ų157146.2 Ų146.284%0.8476%0.764SS**  trans-14561.7170.4-121.3-16.7000113.4
301S24.6Very low25.7Very low112 Ų112144.6 Ų144.678%0.78376%0.763SS**  trans-157.581.2158.7-82.60000109.2
302S25.4Very low26Very low107 Ų107143.4 Ų143.475%0.74876%0.758SS**THydrogen-bonded Turntrans-68.2152.2176.352.40000111.4
303K27.5Very low26.2Very low215 Ų215144.7 Ų144.794%0.93576%0.757SS**THydrogen-bonded Turntrans76.6-4.6172.8-58.4-173.4175.1-178.30120.9
304Q27.6Very low26.4Very low180 Ų180145.4 Ų145.484%0.84176%0.756SS**SBendtrans-127.9-0.8-177.1-137.6172.31.400118.4
305S26Very low26.6Very low88 Ų88143 Ų14362%0.61575%0.753SS**SBendtrans-110.739179-170.60000114
306R27.1Very low26.8Very low217 Ų217143.5 Ų143.582%0.81976%0.757SS**SBendtrans-117.17.9-178.4-128.7-176.5-159.8177.36.8115.7
307E30.2Very low26.9Very low165 Ų165143 Ų14377%0.77176%0.761SS**SBendtrans-116.1-1177.8-71.4179.7124.800113.5S311E307-S311 PolarHBondContact O-OG 3.11Å
308I29.1Very low26.9Very low127 Ų127143.9 Ų143.965%0.65176%0.756SS**SBendtrans-110.2-17.8-173-58.2-180000113
309Q29.1Very low26.8Very low141 Ų141143.8 Ų143.866%0.65976%0.76SS**SBendtrans-98.3-29.8173.8-81.2-178.1-38.700114.2L312 N313Q309-L312 PolarHBondContact O-N 2.94Å; Q309-N313 PolarHBondContact O-ND2 3.05Å
310D29.1Very low27Very low94 Ų94143.1 Ų143.150%0.50375%0.753SS.*G310 helixtrans-78.7-21.7177.5-70.9-50000112.9L312D310-L312 PolarHBondContact O-N 3.27Å
311S29.4Very low27.1Very low103 Ų103141.9 Ų141.972%0.7275%0.753SS**G310 helixtrans-77.5-1.4169.5-61.30000114.4E307E307-S311 PolarHBondContact O-OG 3.11Å
312L29.9Very low27.1Very low142 Ų142142.3 Ų142.374%0.74374%0.743SS**G310 helixtrans-109.7-1175.9-82167.8000113.8Q309 D310Q309-L312 PolarHBondContact O-N 2.94Å; D310-L312 PolarHBondContact O-N 3.27Å
313N26.5Very low27Very low121 Ų121145.3 Ų145.365%0.64775%0.749SS**SBendtrans-128.26.7-171.1-82.5-67000116.2Q309Q309-N313 PolarHBondContact O-ND2 3.05Å
314Q29.4Very low26.9Very low169 Ų169142.5 Ų142.579%0.7974%0.739SS**SBendtrans-118.929.6-179.5-69.2-154.474.900115.7
315S28.4Very low26.8Very low124 Ų124142.2 Ų142.287%0.86774%0.738SS**  trans-124.769.8166.2-660000111.4
316L24.5Very low26.8Very low147 Ų147144 Ų14477%0.7775%0.747SS**  trans-58.2159157.4-108.465.7000110.1
317P25.5Very low27Very low122 Ų122142.1 Ų142.179%0.79275%0.747SS**  cis-131.7-179.638.240.3-23.9000116.6
318Q24.1Very low26.8Very low167 Ų167143.6 Ų143.678%0.7875%0.754SS**  trans-60.2139.8177.2-52.1167.815.400112.7
319L24.5Very low26.8Very low172 Ų172145.5 Ų145.590%0.90176%0.764SS**  trans-141.8138.3140.5-78.8-176.6000109.2
320Q24.2Very low26.7Very low135 Ų135144.6 Ų144.663%0.63176%0.763SS**  trans-82.5147.9179.2-56.4145.2-96.400110.5E322Q320-E322 HydrophobicContact CB-CB 4.1Å; Q320-E322 PolarHBondContact NE2-OE2 2.98Å; Q320-E322 PolarHBondContact O-N 3.3Å
321P26Very low26.7Very low131 Ų131148.1 Ų148.185%0.85178%0.782SS**  trans-77.456.6154.635.4-33.9000109.9
322E25.7Very low26.5Very low122 Ų122147.6 Ų147.657%0.5778%0.778SS**  trans-75.8130167.6-162.4172.3147.700108.1Q320 Q324Q320-E322 HydrophobicContact CB-CB 4.1Å; Q320-E322 PolarHBondContact NE2-OE2 2.98Å; Q320-E322 PolarHBondContact O-N 3.3Å; E322-Q324 PolarHBondContact O-N 3.19Å
323I23.7Very low26.4Very low169 Ų169145.5 Ų145.587%0.86778%0.775SS**SBendtrans-80.476.5-156.1-51170.6000111.3
324Q24.3Very low26.7Very low157 Ų157148.4 Ų148.473%0.73479%0.785SS**  trans-142.6102.8-179.5-95.3162.9108.400113.8E322E322-Q324 PolarHBondContact O-N 3.19Å
325Q25.4Very low26.7Very low174 Ų174151 Ų15181%0.81379%0.794SS**  trans30.6141.5156.8-56.7-158.713.400122.9
326P26.9Very low26.7Very low124 Ų124151.8 Ų151.881%0.80579%0.788SS**  trans-81.6132.2178.933.8-34.2000113.2
327H31.4Very low26.8Very low179 Ų179152.4 Ų152.483%0.82979%0.787SS**  trans-113.9142.3161.9-78.7-68.2000110.9
328Q26.3Very low26.9Very low195 Ų195152.1 Ų152.191%0.91179%0.788SS**  trans-76.6142.5-173.4-60.4168.42.100111.3
329I28.9Very low27.1Very low168 Ų168152 Ų15286%0.86279%0.788SS**  trans-131.6137.7163.3-61.9-177.2000108
330D26.7Very low27.3Very low121 Ų121148.5 Ų148.565%0.64778%0.778SS**  trans-87149.6-174-173.59000111.9S332D330-S332 PolarHBondContact OD1-N 3.38Å; D330-S332 VanDerWaalsContact OD2-CB 3.29Å; D330-S332 WeakPolarHBondContact OD2-CB 3.43Å; D330-S332 PolarHBondContact OD2-OG 3.24Å
331L29.9Very low27.4Very low169 Ų169148.8 Ų148.889%0.88578%0.783SS**  trans-102.218.9-179.5-71174.3000112.8S333L331-S333 VanDerWaalsContact C-N 3.25Å; L331-S333 PolarHBondContact O-N 3Å
332S25.1Very low27.5Very low91 Ų91148.5 Ų148.564%0.63677%0.773SS**  trans-78.536.6-171.5590000116.1D330D330-S332 PolarHBondContact OD1-N 3.38Å; D330-S332 VanDerWaalsContact OD2-CB 3.29Å; D330-S332 WeakPolarHBondContact OD2-CB 3.43Å; D330-S332 PolarHBondContact OD2-OG 3.24Å
333S27.2Very low27.5Very low98 Ų98147.6 Ų147.669%0.68578%0.781SS**SBendtrans-160.6165.4166.658.10000114.9L331L331-S333 VanDerWaalsContact C-N 3.25Å; L331-S333 PolarHBondContact O-N 3Å
334Q32.1Very low27.7Very low183 Ų183146.4 Ų146.486%0.85578%0.776SS**  trans79.69.7172.5-52.8-164.11300119.8D336Q334-D336 VanDerWaalsContact C-N 3.31Å; Q334-D336 PolarHBondContact O-N 3.18Å
335F30.5Very low27.8Very low222 Ų222145.5 Ų145.597%0.97478%0.776SS**  trans-80.184149.3-84.6-79.8000109.4
336D27.7Very low28Very low141 Ų141144 Ų14475%0.75477%0.772SS**  trans-112.9163.3172.4-154.8-1.8000111.6Q334Q334-D336 VanDerWaalsContact C-N 3.31Å; Q334-D336 PolarHBondContact O-N 3.18Å
337Q26.1Very low28.1Very low160 Ų160145.6 Ų145.675%0.74877%0.772SS**  trans-93.7132.1-146.4-58170.534.700114
338S29.3Very low28Very low117 Ų117143.2 Ų143.282%0.81877%0.77SS**  trans-136.299.3153.651.50000110.1S340S338-S340 PolarHBondContact O-N 3.45Å
339Q26.8Very low28Very low165 Ų165142 Ų14277%0.77177%0.765SS**  trans-74.2120173.5-63.6-175.31400109.7
340S29.7Very low28.1Very low98 Ų98139.8 Ų139.869%0.68576%0.761SS**  trans-112.7111.3159.653.50000109.1S338 I342S338-S340 PolarHBondContact O-N 3.45Å; S340-I342 PolarHBondContact O-N 3.35Å
341N25.4Very low28.2Very low140 Ų140142.7 Ų142.775%0.74977%0.771SS**  trans-69.4111.7174.4-72.1-40.8000109.2
342I27.7Very low28.4Very low125 Ų125139.5 Ų139.564%0.64176%0.76SS**  trans-126.975.6167.9-52.1-178.4000107.4S340 L345S340-I342 PolarHBondContact O-N 3.35Å; I342-L345 HydrophobicContact CG2-CB 4.37Å; I342-L345 HydrophobicContact CG2-CD1 4.25Å
343S25.7Very low29Very low104 Ų104141.7 Ų141.773%0.72777%0.772SS**  trans-92.1-4178.9-60.10000113.4
344D28.1Very low29.2Very low143 Ų143140.2 Ų140.277%0.76577%0.772SS**  trans-114.517.3-165.1-58.8-69.6000114.5I346D344-I346 VanDerWaalsContact C-N 3.27Å; D344-I346 PolarHBondContact O-N 3.09Å
345L27.8Very low29.1Very low139 Ų139138.8 Ų138.873%0.72877%0.766SS**  trans-78.675.2-179.4-14282.8000112I342 L347I342-L345 HydrophobicContact CG2-CB 4.37Å; I342-L345 HydrophobicContact CG2-CD1 4.25Å; L345-L347 PolarHBondContact O-N 3.37Å
346I28.8Very low29.2Very low143 Ų143138.7 Ų138.773%0.73377%0.765SS**  trans-61118.9173.3-60.9176.3000109.3D344 V348D344-I346 VanDerWaalsContact C-N 3.27Å; D344-I346 PolarHBondContact O-N 3.09Å; I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 HydrophobicContact CG2-CG2 4.26Å; I346-V348 PolarHBondContact O-N 3.46Å
347L28.7Very low29.2Very low156 Ų156139.2 Ų139.282%0.81776%0.763SS**  trans-71.986.4172.5-113.270.1000110.3L345 Q349L345-L347 PolarHBondContact O-N 3.37Å; L347-Q349 PolarHBondContact O-N 3.09Å; L347-Q349 VanDerWaalsContact O-N 3.09Å
348V28.7Very low29.7Very low129 Ų129141.1 Ų141.178%0.78277%0.772SS**  trans-69.2104169.5-178.40000108.3I346I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 HydrophobicContact CG2-CG2 4.26Å; I346-V348 PolarHBondContact O-N 3.46Å
349Q27.2Very low29.8Very low171 Ų171140.5 Ų140.580%0.79977%0.767SS**  trans-68.6127.7-179.1-160.6178.8117.200109.8L347 Q351L347-Q349 PolarHBondContact O-N 3.09Å; L347-Q349 VanDerWaalsContact O-N 3.09Å; Q349-Q351 PolarHBondContact O-N 3.1Å
350P31.1Very low30Very low121 Ų121140 Ų14079%0.78677%0.77SS**  trans-69.9107-179.127.2-33.5000110.4
351Q28.8Very low30.2Very low181 Ų181139.8 Ų139.885%0.84677%0.768SS**  trans-72130.6178.7-172.5176.1-28.900110.3Q349Q349-Q351 PolarHBondContact O-N 3.1Å
352P34.1Very low30.6Very low103 Ų103141.3 Ų141.367%0.66977%0.771SS**  trans-67.7149179.527.6-34.6000111.7G354P352-G354 PolarHBondContact O-N 3.08Å
353P38.4Very low30.6Very low137 Ų137143.7 Ų143.789%0.8978%0.784SS**  trans-65.5115.9175.927.7-33.6000109.9
354G31Very low30.9Very low66 Ų66146 Ų14668%0.6879%0.787SS**  trans-93.3171.9-175.700000114.5P352P352-G354 PolarHBondContact O-N 3.08Å
355Q30.3Very low31.2Very low154 Ų154145.6 Ų145.672%0.7278%0.784SS**  trans74.883170.1-52-16487.900117
356F32Very low31.2Very low220 Ų220144.7 Ų144.797%0.96578%0.784SS**  -110.1136.8116-85.4-87.6000108.3
357Q28.4Very low31.4Very low152 Ų152142.9 Ų142.971%0.7179%0.785SS**  trans-113.6107.3178.6-72.8176-2.300108.5
358E35.3Very low31.6Very low200 Ų200144.9 Ų144.994%0.93579%0.787SS**  trans-122.5120.5156-69.8-172.3122.300106.4
359S31.9Very low31.9Very low103 Ų103144.7 Ų144.772%0.7279%0.788SS**  trans-108.2166.3177.9-63.80000109.2
360D30.9Very low32Very low156 Ų156143.1 Ų143.183%0.83479%0.79SS**  trans69.8136.3-176.8-57.2-41.2000114.5
361S34.1Very low32.2Very low92 Ų92142.8 Ų142.864%0.64379%0.786SS**  cis-155.8163.13.4-1370000114.1
362Q34Very low32.3Very low173 Ų173142.2 Ų142.281%0.80878%0.783SS**  trans61.590159.5-65.6178.48100118.7L364Q362-L364 PolarHBondContact O-N 3.49Å
363I27Very low32.3Very low175 Ų175142.4 Ų142.490%0.89779%0.786SS**  trans-63.8123.9147.7-61.9169.2000108.3
364L33.5Very low31.8Very low153 Ų153146.5 Ų146.580%0.80179%0.786SS**  trans-131.291.3166.1-164.769000113.7Q362Q362-L364 PolarHBondContact O-N 3.49Å
365N33.4Very low32.1Very low133 Ų133148.7 Ų148.771%0.71179%0.791SS**  trans61.1121.6139.6-147.220000120.9
366V28.6Very low32.5Very low120 Ų120149.3 Ų149.373%0.72779%0.794SS**  trans-59.6153171.5-69.50000114.6
367S32.3Very low32.6Very low105 Ų105147.1 Ų147.173%0.73478%0.784SS**  -176.1108.2123.8-840000115.6
368K33Very low33Very low198 Ų198147.4 Ų147.486%0.86179%0.79SS**  trans53.1130.1144.4-57.4-176.7-179.3-179.70121.1
369P33.8Very low33Very low126 Ų126144.1 Ų144.182%0.81878%0.779SS**  trans-85147.9167.635.9-33.7000112.1
370V29.9Very low33.4Very low137 Ų137143.6 Ų143.683%0.8378%0.776SS**  trans-164.5143.5166.11070000114.5
371V36.3Very low33.8Very low115 Ų115144.3 Ų144.370%0.69777%0.774SS**  trans70.4119.5156.5170.90000120.1
372E30.5Very low34.1Very low169 Ų169146.3 Ų146.379%0.7978%0.782SS**  trans-72.2149157.9-58.5160.6111.500110.6
373S33.3Very low34.2Very low106 Ų106141.7 Ų141.774%0.74178%0.781SS**  trans-148.790.8171.7-69.50000111.7
374Y29.1Very low34.7Very low224 Ų224140 Ų14088%0.87877%0.769SS**  trans-72.8128.6162.5-71.9-88.2000109
375S36.8Very low34.7Very low112 Ų112139 Ų13978%0.78377%0.771SS**  trans-141.572.3178.8-1740000111.5
376E39.1Very low35Very low167 Ų167139.4 Ų139.478%0.7877%0.767SS**  45.1113125.5-151.1160.9167.700119.9
377F33Very low35.2Very low174 Ų174142.7 Ų142.776%0.76377%0.774SS**  trans33.7132.5157-60.4-69.7000122.5
378D38.3Very low35.1Very low158 Ų158142.7 Ų142.785%0.84577%0.774SS**  -128.5144.7123.7-165.24.2000108.7
379D34.2Very low35.2Very low131 Ų131139.8 Ų139.870%0.70177%0.768SS**  trans-119108-162.3-142.5-15.7000109.8
380S40.2Very low35Very low92 Ų92142.1 Ų142.164%0.64377%0.768SS**  trans-149.992.8-177.5-83.80000113.9
381Q39.5Very low35.2Very low171 Ų171139.5 Ų139.580%0.79976%0.761SS**  45.1123.6129.4-63.5179.973.600117.8
382T39.7Very low35.4Very low134 Ų134142.4 Ų142.482%0.82277%0.767SS**  cis-172.21522116.60000109.1
383G36.1Very low35.6Very low75 Ų75143 Ų14377%0.77377%0.774SS**  trans146.963.4161.400000119.4
384E37.6Very low36Very low141 Ų141143.6 Ų143.666%0.65977%0.773SS**  trans44.1101.2153.5-64.3-110110.500120.5K386E384-K386 VanDerWaalsContact OE1-CE 3.29Å; E384-K386 WeakPolarHBondContact OE1-CE 3.5Å; E384-K386 IonicContact OE1-NZ 2.66Å; E384-K386 PolarHBondContact OE1-NZ 2.9Å; E384-K386 WeakPolarHBondContact OE2-CE 3.29Å; E384-K386 IonicContact OE2-NZ 2.67Å; E384-K386 PolarHBondContact OE2-NZ 2.66Å
385P33.6Very low36.3Very low130 Ų130138.4 Ų138.484%0.84477%0.767SS**  trans-92.4106.2158.433.3-28.8000112
386K39.8Very low36.3Very low143 Ų143140.6 Ų140.662%0.62277%0.77SS**  trans-137.9119.5168.6-66.2172.8-170.9153.30108.1E384E384-K386 VanDerWaalsContact OE1-CE 3.29Å; E384-K386 WeakPolarHBondContact OE1-CE 3.5Å; E384-K386 IonicContact OE1-NZ 2.66Å; E384-K386 PolarHBondContact OE1-NZ 2.9Å; E384-K386 WeakPolarHBondContact OE2-CE 3.29Å; E384-K386 IonicContact OE2-NZ 2.67Å; E384-K386 PolarHBondContact OE2-NZ 2.66Å
387Q32.6Very low37Very low188 Ų188138 Ų13888%0.87977%0.768SS**  65.2128.268.7-72-163-15.400115.3
388S30.8Very low37.3Very low105 Ų105135.1 Ų135.173%0.73477%0.767SS**  trans94.7152.3151-1380000120
389L35Very low37.3Very low137 Ų137135.6 Ų135.672%0.71777%0.768SS**  trans61.3119.2-179.7-78.759.6000115.3
390E30.3Very low37.7Very low176 Ų176134.6 Ų134.682%0.82277%0.771SS**  67.794.955.4-61.5178.791.800114
391A33.9Very low37.5Very low82 Ų82140.9 Ų140.968%0.67878%0.783SS**  trans-156.9114.3157.600000113.9
392Q40Very low37.6Very low176 Ų176141.5 Ų141.582%0.82279%0.786SS**  trans64.493.3134.9-64.6170.476.300120
393L34.7Very low37.5Very low181 Ų181141.5 Ų141.595%0.94878%0.781SS**  trans-58122.3142.9-69.8151.2000111.2
394T40.9Very low37.8Very low119 Ų119142.9 Ų142.973%0.7378%0.778SS**  trans-160.2156.4161.28.30000110
395P36.2Very low37.9Very low114 Ų114142.2 Ų142.274%0.7478%0.779SS**  -123.4175.8-104.641.3-29.7000114.8
396D36.1Very low38.4Very low158 Ų158144.1 Ų144.185%0.84578%0.782SS**PPolyproline II helixtrans-55.4130.3168.8-76.2-52.8000112.2
397P53.8Low38.8Very low114 Ų114142.9 Ų142.974%0.7478%0.782SS**PPolyproline II helixtrans-74.2152.8169.931-33.2000111.5
398P39.7Very low39Very low113 Ų113141.8 Ų141.873%0.73478%0.782SS**PPolyproline II helixtrans-87.2156.1-15833.7-37.7000115.4S400P398-S400 PolarHBondContact O-N 2.67Å
399L37.6Very low39.4Very low168 Ų168147.3 Ų147.388%0.8880%0.804SS**PPolyproline II helixtrans-60.8120.5158.3-69.3170.1000110.3
400S44.1Very low39.6Very low110 Ų110147.8 Ų147.877%0.76981%0.808SS**  trans-135.5123.2169.1570000111.4P398P398-S400 PolarHBondContact O-N 2.67Å
401Y35.9Very low40.1Very low224 Ų224146.3 Ų146.388%0.87881%0.807SS**  trans-82.7134.4-179.9-66-107.5000111
402Q41.5Very low40.4Very low184 Ų184149.9 Ų149.986%0.8682%0.815SS**  trans-159.9112.4144.2-105.41679.300107.2
403N37.2Very low40.4Very low134 Ų134148.4 Ų148.472%0.71781%0.814SS**  74.9100.664.4-179.148000113.6
404S42.9Very low40.8Very low103 Ų103146.3 Ų146.372%0.7281%0.806SS**  -174140.1116.1-76.80000112.7
405N40Very low40.8Very low127 Ų127148.1 Ų148.168%0.67981%0.811SS**  trans1.6122.8163.4-54.44.2000119.6
406N44.4Very low41.1Very low171 Ų171150.6 Ų150.691%0.91482%0.816SS**PPolyproline II helix-101.5126.3128.8-92.9-19.6000107.3
407N46.9Very low41.5Very low116 Ų116150 Ų15062%0.6281%0.814SS**PPolyproline II helixtrans-73.9141.8173.4-84.835.3000111D409N407-D409 WeakPolarHBondContact CB-O 3.47Å; N407-D409 PolarHBondContact ND2-O 3.35Å
408N36.2Very low40.5Very low165 Ų165153 Ų15388%0.88282%0.82SS**PPolyproline II helixtrans-101.1148.9133.8-80.8-31000106.6
409D39.2Very low40.5Very low221 Ų221156.6 Ų156.6100%1.18283%0.827SS**  trans64.50-163.7-62.4-34.3000115.7N407N407-D409 WeakPolarHBondContact CB-O 3.47Å; N407-D409 PolarHBondContact ND2-O 3.35Å

Retrieved 409 of 409 residues in 250.8 ms (Link to these results)