A0A5K4EZQ8_SCHMA Loading...

WH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 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
1M62.1Low73.6Confident241 Ų241135 Ų135100%1.18781%0.811SS**  0121.80-62.8-51.9-175.300108.1
2S63Low72.9Confident123 Ų123137.2 Ų137.286%0.8681%0.813SS**PPolyproline II helixtrans-84.2137.5171.6-166.30000109.2
3V67Low72.1Confident128 Ų128141 Ų14178%0.77681%0.813SS**PPolyproline II helixtrans-84.7129.3177.3-175.70000108
4P77.7Confident70.9Confident106 Ų106139.5 Ų139.569%0.68882%0.815SS**PPolyproline II helixtrans-64.3149.1179.127.1-34.8000111.3
5P78.6Confident69.9Low117 Ų117138.5 Ų138.576%0.7681%0.811SS**PPolyproline II helixtrans-64.4147.5179.227.7-34.9000111.4
6P78.7Confident69.1Low115 Ų115143.6 Ų143.675%0.74781%0.813SS**PPolyproline II helixtrans-66.3149.5178.228.6-35000111.6
7P80.4Confident68.4Low115 Ų115141.1 Ų141.175%0.74780%0.803SS**PPolyproline II helixtrans-67.3152.6179.828.8-35.5000112.1
8P79.7Confident67.8Low117 Ų117139.6 Ų139.676%0.7680%0.799SS**PPolyproline II helixtrans-65149.317927.7-35.1000112
9P77.3Confident67.4Low112 Ų112138.2 Ų138.273%0.72780%0.796SS**PPolyproline II helixtrans-66.4148.5-177.727.3-34.9000112.1Q11P9-Q11 PolarHBondContact O-N 3.44Å
10P74.6Confident66.9Low121 Ų121141.8 Ų141.879%0.78680%0.802SS**PPolyproline II helixtrans-59127.1179.4-24.334.2000112.4I12P10-I12 PolarHBondContact O-N 3.49Å
11Q70.3Confident65.9Low190 Ų190143.8 Ų143.889%0.88881%0.805SS**  trans-68.8105.8174.1-71.2-174-11.200110.2P9 K13P9-Q11 PolarHBondContact O-N 3.44Å; Q11-K13 PolarHBondContact O-N 3.16Å
12I65.5Low65.1Low161 Ų161135.9 Ų135.983%0.82678%0.778SS**  trans-66102.9172.3-53.2175.5000107.5P10 S14P10-I12 PolarHBondContact O-N 3.49Å; I12-S14 PolarHBondContact O-N 3.2Å; I12-S14 VanDerWaalsContact O-N 3.11Å
13K61.7Low64.3Low187 Ų187135 Ų13581%0.81377%0.77SS**  trans-58.6117.9172.5-68.4-176.9179.2-179.40108Q11 T15Q11-K13 PolarHBondContact O-N 3.16Å; K13-T15 PolarHBondContact O-N 3.21Å
14S56.3Low63.5Low120 Ų120135.6 Ų135.684%0.83977%0.769SS**  trans-6495-178.2-172.60000110.2I12 R16I12-S14 PolarHBondContact O-N 3.2Å; I12-S14 VanDerWaalsContact O-N 3.11Å; S14-R16 PolarHBondContact O-N 3.32Å; S14-R16 VanDerWaalsContact O-N 3.1Å
15T55.9Low62.2Low125 Ų125133 Ų13377%0.76775%0.754SS**  trans-69.3105.5171.236.70000107.7K13K13-T15 PolarHBondContact O-N 3.21Å
16R55.9Low60.9Low220 Ų220133.6 Ų133.683%0.8376%0.761SS**  trans-41.6124.6171.9-178.3-173.5-176.4-157.73.2108.6S14S14-R16 PolarHBondContact O-N 3.32Å; S14-R16 VanDerWaalsContact O-N 3.1Å
17P58Low60.1Low101 Ų101129.5 Ų129.566%0.65674%0.739SS**PPolyproline II helixtrans-57.1143.7-179.524-33.8000109.2
18P57.6Low59.7Low113 Ų113127.8 Ų127.873%0.73473%0.728SS**PPolyproline II helixtrans-55.3143.4179.224.2-33.7000109.4K20P18-K20 PolarHBondContact O-N 3.35Å
19P59.7Low59.2Low113 Ų113125.8 Ų125.873%0.73472%0.722SS**PPolyproline II helixtrans-54.3134.2173.725.6-33.6000108.1Q21P19-Q21 PolarHBondContact O-N 3.18Å
20K57.3Low58.7Low210 Ų210126 Ų12691%0.91371%0.712SS**  trans-56107.9176.7-68-178.9179.7-179.90107.5P18 A22P18-K20 PolarHBondContact O-N 3.35Å; K20-A22 PolarHBondContact O-N 3.26Å; K20-A22 VanDerWaalsContact O-N 3.14Å
21Q45.5Very low58.8Low184 Ų184123.4 Ų123.486%0.8669%0.69SS**  trans-56.7123167.1-76.1178.6-48.400106.5P19 C23P19-Q21 PolarHBondContact O-N 3.18Å; Q21-C23 PolarHBondContact O-N 3.19Å
22A46.3Very low58.9Low76 Ų76116.2 Ų116.263%0.62866%0.664SS**  trans-56.7116.8162.200000105.7K20 D24K20-A22 PolarHBondContact O-N 3.26Å; K20-A22 VanDerWaalsContact O-N 3.14Å; A22-D24 PolarHBondContact O-N 3.41Å
23C45.7Very low59.3Low104 Ų104111 Ų11170%0.70364%0.638SS**  trans-78.278.6175.7-1760000106.7Q21 S25Q21-C23 PolarHBondContact O-N 3.19Å; C23-S25 WeakPolarHBondContact O-CA 3.47Å; C23-S25 WeakPolarHBondContact O-CB 3.41Å; C23-S25 PolarHBondContact O-N 3.4Å
24D50.2Low59.9Low141 Ų141106.5 Ų106.575%0.75462%0.621SS**  trans-55.8103.7176.1-70.4-38000107.9A22 S26A22-D24 PolarHBondContact O-N 3.41Å; D24-S26 PolarHBondContact O-N 3.02Å
25S51.5Low61Low51 Ų51107.7 Ų107.736%0.35761%0.607SS.*  trans-86.980.4-150.1650000111.7C23 G27C23-S25 WeakPolarHBondContact O-CA 3.47Å; C23-S25 WeakPolarHBondContact O-CB 3.41Å; C23-S25 PolarHBondContact O-N 3.4Å; S25-G27 PolarHBondContact O-N 3.24Å
26S50.6Low62.2Low130 Ų130105.2 Ų105.291%0.90960%0.6SS**  trans-65.115.5167.158.20000114.4D24D24-S26 PolarHBondContact O-N 3.02Å
27G62.6Low63.1Low29 Ų2997.8 Ų97.830%0.29959%0.591SS.*SBendtrans-78.4155.1167.800000111.1S25 A29S25-G27 PolarHBondContact O-N 3.24Å; G27-A29 PolarHBondContact O-N 2.83Å
28P71.3Confident64.1Low78 Ų78100.9 Ų100.951%0.50659%0.59SS.*  trans-54.2139.4-179.423-35.5000112F30 L31P28-F30 HydrophobicContact CB-CD1 3.87Å; P28-F30 HydrophobicContact CB-CE1 3.68Å; P28-F30 HydrophobicContact CG-CD1 4.06Å; P28-F30 HydrophobicContact CG-CE1 3.42Å; P28-F30 VanDerWaalsContact CG-CE1 3.42Å; P28-F30 HydrophobicContact CG-CZ 4.07Å; P28-F30 PolarHBondContact O-N 3.35Å; P28-L31 HydrophobicContact CG-CD1 4.1Å; P28-L31 HydrophobicContact CG-CG 4.48Å; P28-L31 WeakPolarHBondContact O-CB 3.43Å; P28-L31 PolarHBondContact O-N 3.13Å
29A68.5Low64.9Low76 Ų76102 Ų10263%0.62859%0.594SS**THydrogen-bonded Turntrans-52.1-31.6-161.300000115.6G27 L31 A32 D33G27-A29 PolarHBondContact O-N 2.83Å; A29-L31 PolarHBondContact O-N 3.25Å; A29-L31 VanDerWaalsContact O-N 3.16Å; A29-A32 WeakPolarHBondContact O-CA 3.5Å; A29-A32 VanDerWaalsContact O-CB 3.31Å; A29-A32 WeakPolarHBondContact O-CB 3.36Å; A29-A32 PolarHBondContact O-N 3.44Å; A29-D33 PolarHBondContact O-N 3.4Å; A29-D33 VanDerWaalsContact O-N 3.13Å
30F68.8Low65.5Low117 Ų117102.8 Ų102.851%0.51359%0.592SS.*Hα-helixtrans-57.3-30175.575.7-93.4000113.3P28 A32 I34P28-F30 HydrophobicContact CB-CD1 3.87Å; P28-F30 HydrophobicContact CB-CE1 3.68Å; P28-F30 HydrophobicContact CG-CD1 4.06Å; P28-F30 HydrophobicContact CG-CE1 3.42Å; P28-F30 VanDerWaalsContact CG-CE1 3.42Å; P28-F30 HydrophobicContact CG-CZ 4.07Å; P28-F30 PolarHBondContact O-N 3.35Å; F30-A32 VanDerWaalsContact C-N 3.32Å; F30-I34 HydrophobicContact CD2-CD1 3.96Å; F30-I34 WeakPolarHBondContact O-CB 3.39Å; F30-I34 VanDerWaalsContact O-CG1 3.24Å; F30-I34 WeakPolarHBondContact O-CG1 3.49Å; F30-I34 PolarHBondContact O-N 2.72Å
31L74.8Confident66.6Low65 Ų65103.7 Ų103.734%0.3459%0.59SS.*Hα-helixtrans-74.2-21.8174.2-64.7177.6000112.8P28 A29 R35P28-L31 HydrophobicContact CG-CD1 4.1Å; P28-L31 HydrophobicContact CG-CG 4.48Å; P28-L31 WeakPolarHBondContact O-CB 3.43Å; P28-L31 PolarHBondContact O-N 3.13Å; A29-L31 PolarHBondContact O-N 3.25Å; A29-L31 VanDerWaalsContact O-N 3.16Å; L31-R35 WeakPolarHBondContact O-CB 3.43Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 2.9Å; L31-R35 PolarHBondContact O-NE 2.9Å; L31-R35 PolarHBondContact O-NH2 3.36Å
32A72.9Confident68.2Low40 Ų40103.6 Ų103.633%0.33159%0.586SS.*Hα-helixtrans-75.9-46.3170.400000110.1A29 F30 I34 R35 A36A29-A32 WeakPolarHBondContact O-CA 3.5Å; A29-A32 VanDerWaalsContact O-CB 3.31Å; A29-A32 WeakPolarHBondContact O-CB 3.36Å; A29-A32 PolarHBondContact O-N 3.44Å; F30-A32 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 2.8Å; A32-R35 CarbonylContact O-C 3.39Å; A32-R35 PolarHBondContact O-N 3.27Å; A32-A36 WeakPolarHBondContact O-CB 2.9Å; A32-A36 PolarHBondContact O-N 2.87Å
33D74.7Confident69.7Low52 Ų52103.4 Ų103.428%0.27858%0.577SS.*Hα-helixtrans-58.6-45.4175.7-73.8-50.2000112.5A29 R35 A36 G37 R38A29-D33 PolarHBondContact O-N 3.4Å; A29-D33 VanDerWaalsContact O-N 3.13Å; D33-R35 PolarHBondContact O-N 2.82Å; D33-A36 CarbonylContact O-C 3.59Å; D33-A36 PolarHBondContact O-N 2.99Å; D33-G37 PolarHBondContact O-N 3.01Å; D33-R38 HydrophobicContact CB-CB 4.18Å; D33-R38 WeakPolarHBondContact O-CB 3.47Å; D33-R38 PolarHBondContact O-N 3.18Å; D33-R38 WeakPolarHBondContact OD1-CD 3.42Å; D33-R38 IonicContact OD1-CZ 3.25Å; D33-R38 IonicContact OD1-NE 3.61Å; D33-R38 IonicContact OD1-NH1 2.68Å; D33-R38 PolarHBondContact OD1-NH1 3.26Å
34I74.4Confident71.2Confident91 Ų91101.3 Ų101.347%0.46756%0.562SS.*Hα-helixtrans-61.5-41.9175.8-69.7167.8000111.3F30 A32 A36 G37F30-I34 HydrophobicContact CD2-CD1 3.96Å; F30-I34 WeakPolarHBondContact O-CB 3.39Å; F30-I34 VanDerWaalsContact O-CG1 3.24Å; F30-I34 WeakPolarHBondContact O-CG1 3.49Å; F30-I34 PolarHBondContact O-N 2.72Å; A32-I34 PolarHBondContact O-N 2.8Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.07Å; I34-G37 PolarHBondContact O-N 2.83Å; I34-G37 VanDerWaalsContact O-N 3.15Å
35R79.8Confident72.3Confident146 Ų14699.8 Ų99.855%0.55155%0.554SS**Hα-helixtrans-70.9-26.1176.7-80.4178.7-75.2-159.6-1.9113.3L31 A32 D33 G37L31-R35 WeakPolarHBondContact O-CB 3.43Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 2.9Å; L31-R35 PolarHBondContact O-NE 2.9Å; L31-R35 PolarHBondContact O-NH2 3.36Å; A32-R35 CarbonylContact O-C 3.39Å; A32-R35 PolarHBondContact O-N 3.27Å; D33-R35 PolarHBondContact O-N 2.82Å; R35-G37 PolarHBondContact O-N 2.89Å
36A79.9Confident73.5Confident73 Ų73101.6 Ų101.660%0.60357%0.567SS**THydrogen-bonded Turntrans-80.12.417100000113.4A32 D33 I34 R38A32-A36 WeakPolarHBondContact O-CB 2.9Å; A32-A36 PolarHBondContact O-N 2.87Å; D33-A36 CarbonylContact O-C 3.59Å; D33-A36 PolarHBondContact O-N 2.99Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.07Å; A36-R38 PolarHBondContact O-N 3.18Å
37G75.8Confident74.6Confident63 Ų63100.8 Ų100.865%0.64955%0.549SS*.THydrogen-bonded Turntrans70.213.5-179.800000114.5D33 I34 R35 T39D33-G37 PolarHBondContact O-N 3.01Å; I34-G37 PolarHBondContact O-N 2.83Å; I34-G37 VanDerWaalsContact O-N 3.15Å; R35-G37 PolarHBondContact O-N 2.89Å; G37-T39 PolarHBondContact O-N 3.25Å
38R77.7Confident75Confident167 Ų167104 Ų10463%0.6355%0.554SS**PPolyproline II helixtrans-69120.4177.3-77.2172.1160.4-173.3-4.1109.8D33 A36 L40D33-R38 HydrophobicContact CB-CB 4.18Å; D33-R38 WeakPolarHBondContact O-CB 3.47Å; D33-R38 PolarHBondContact O-N 3.18Å; D33-R38 WeakPolarHBondContact OD1-CD 3.42Å; D33-R38 IonicContact OD1-CZ 3.25Å; D33-R38 IonicContact OD1-NE 3.61Å; D33-R38 IonicContact OD1-NH1 2.68Å; D33-R38 PolarHBondContact OD1-NH1 3.26Å; A36-R38 PolarHBondContact O-N 3.18Å; R38-L40 PolarHBondContact O-N 2.68Å
39T75.4Confident75.1Confident135 Ų135109.1 Ų109.183%0.82857%0.569SS**PPolyproline II helixtrans-66.4128.5174.144.80000110G37 R41G37-T39 PolarHBondContact O-N 3.25Å; T39-R41 PolarHBondContact O-N 2.83Å
40L72.1Confident74.7Confident130 Ų130109.8 Ų109.868%0.68156%0.562SS**PPolyproline II helixtrans-64.3121.7176.3-62.4177.2000109R38 K42R38-L40 PolarHBondContact O-N 2.68Å; L40-K42 PolarHBondContact O-N 3.4Å
41R79.6Confident74.4Confident229 Ų229115.6 Ų115.686%0.86458%0.58SS**PPolyproline II helixtrans-58.4132.5177.2-69.2-169.5-68.5131.7-1.5109.6T39 V43T39-R41 PolarHBondContact O-N 2.83Å; R41-V43 PolarHBondContact O-N 3.24Å
42K80.1Confident73.9Confident183 Ų183117.3 Ų117.380%0.79660%0.598SS**  trans-67.5101.5175.1-176.1-178.7178.9-175.50108.8L40 P44L40-K42 PolarHBondContact O-N 3.4Å; K42-P44 WeakPolarHBondContact O-CD 3.42Å
43V77.7Confident73Confident71 Ų71118.2 Ų118.243%0.4361%0.605SS.*  trans-47.4121.9173.3178.80000109.2R41 E47 K48R41-V43 PolarHBondContact O-N 3.24Å; V43-E47 HydrophobicContact CG1-CB 3.61Å; V43-K48 HydrophobicContact CG1-CG 3.91Å; V43-K48 WeakPolarHBondContact O-CE 3.5Å; V43-K48 PolarHBondContact O-NZ 3.44Å
44P77.2Confident72Confident60 Ų60121.3 Ų121.339%0.3963%0.628SS.*  trans-59152.7175.1-26.736.1000112.9K42 S46 E47 K48K42-P44 WeakPolarHBondContact O-CD 3.42Å; P44-S46 PolarHBondContact O-N 2.63Å; P44-E47 PolarHBondContact O-N 3.28Å; P44-K48 PolarHBondContact O-N 3.21Å
45D74.1Confident71Confident109 Ų109126.1 Ų126.158%0.58365%0.654SS**THydrogen-bonded Turntrans-68.8-12.2-179.3-71.1-75.5000114.3K48D45-K48 WeakPolarHBondContact OD1-CD 2.97Å; D45-K48 WeakPolarHBondContact OD1-CE 3.49Å; D45-K48 IonicContact OD1-NZ 3.71Å; D45-K48 PolarHBondContact OD1-NZ 3.36Å; D45-K48 IonicContact OD2-NZ 2.74Å; D45-K48 PolarHBondContact OD2-NZ 3.5Å
46S76Confident69.6Low90 Ų90121.7 Ų121.763%0.62965%0.653SS**THydrogen-bonded Turntrans-67.5-55.8165.744.90000111.7P44 K48 K49P44-S46 PolarHBondContact O-N 2.63Å; S46-K48 VanDerWaalsContact C-N 3.27Å; S46-K48 PolarHBondContact O-N 3.4Å; S46-K49 PolarHBondContact O-N 3.04Å
47E73.6Confident68Low112 Ų112124 Ų12452%0.52367%0.665SS.*G310 helixtrans-60.8-33180-71.7172-150.700112.4V43 P44 K49 D50V43-E47 HydrophobicContact CG1-CB 3.61Å; P44-E47 PolarHBondContact O-N 3.28Å; E47-K49 PolarHBondContact O-N 3.15Å; E47-K49 VanDerWaalsContact O-N 3.08Å; E47-D50 PolarHBondContact O-N 3.25Å; E47-D50 VanDerWaalsContact O-N 3.15Å
48K71.7Confident66.9Low97 Ų97129.7 Ų129.742%0.42267%0.672SS.*G310 helixtrans-61.4-19.5179.7-68.5177.5-152.3163.70114.7V43 P44 D45 S46V43-K48 HydrophobicContact CG1-CG 3.91Å; V43-K48 WeakPolarHBondContact O-CE 3.5Å; V43-K48 PolarHBondContact O-NZ 3.44Å; P44-K48 PolarHBondContact O-N 3.21Å; D45-K48 WeakPolarHBondContact OD1-CD 2.97Å; D45-K48 WeakPolarHBondContact OD1-CE 3.49Å; D45-K48 IonicContact OD1-NZ 3.71Å; D45-K48 PolarHBondContact OD1-NZ 3.36Å; D45-K48 IonicContact OD2-NZ 2.74Å; D45-K48 PolarHBondContact OD2-NZ 3.5Å; S46-K48 VanDerWaalsContact C-N 3.27Å; S46-K48 PolarHBondContact O-N 3.4Å
49K71.8Confident65.6Low185 Ų185127 Ų12780%0.80468%0.676SS**G310 helixtrans-85.8-27.2178.5-71-177.4178.5177.50112.9S46 E47 R51S46-K49 PolarHBondContact O-N 3.04Å; E47-K49 PolarHBondContact O-N 3.15Å; E47-K49 VanDerWaalsContact O-N 3.08Å; K49-R51 PolarHBondContact O-N 3.08Å; K49-R51 VanDerWaalsContact O-N 3.09Å
50D61.4Low64Low90 Ų90126.5 Ų126.548%0.48167%0.673SS.*  trans-87.382.1-178.3-161.4-10.3000111.5E47 S52 A53E47-D50 PolarHBondContact O-N 3.25Å; E47-D50 VanDerWaalsContact O-N 3.15Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 WeakPolarHBondContact OD1-CA 3.43Å; D50-S52 WeakPolarHBondContact OD1-CB 3.43Å; D50-S52 PolarHBondContact OD1-N 3.29Å; D50-S52 PolarHBondContact OD1-OG 3.47Å; D50-A53 PolarHBondContact OD1-N 2.98Å
51R61.6Low62.6Low239 Ų239127.3 Ų127.390%0.90268%0.678SS**  trans-93.216.8166.5-67.1-175.8171.9-166.9-4.6112.2K49K49-R51 PolarHBondContact O-N 3.08Å; K49-R51 VanDerWaalsContact O-N 3.09Å
52S65Low60.8Low102 Ų102124.9 Ų124.971%0.71368%0.676SS**SBendtrans-110.4-31.1-172.122.40000112.6D50 P54D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 WeakPolarHBondContact OD1-CA 3.43Å; D50-S52 WeakPolarHBondContact OD1-CB 3.43Å; D50-S52 PolarHBondContact OD1-N 3.29Å; D50-S52 PolarHBondContact OD1-OG 3.47Å; S52-P54 WeakPolarHBondContact O-CD 3.32Å
53A53.4Low58.8Low58 Ų58123.5 Ų123.548%0.47968%0.678SS.*SBendtrans-63.8124.3175.400000111.6D50D50-A53 PolarHBondContact OD1-N 2.98Å
54P54.1Low57Low117 Ų117127.1 Ų127.176%0.7670%0.695SS**  trans-64.7146.7163.229.5-33.2000109.2S52 G56S52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-G56 PolarHBondContact O-N 3.36Å
55L53.7Low55.2Low193 Ų193132.9 Ų132.9100%1.0172%0.716SS**  trans-72.773179.3-67.3172.5000111.1
56G49.5Very low53.4Low52 Ų52131.2 Ų131.254%0.53673%0.725SS.*  trans-95.2142.2-176.900000113.5P54P54-G56 PolarHBondContact O-N 3.36Å
57S47.4Very low51.8Low121 Ų121133.3 Ų133.385%0.84674%0.74SS**  trans57.1125.7168.849.70000118.3
58K51.3Low50.3Low183 Ų183132.6 Ų132.680%0.79675%0.753SS**  trans-57.3148.1152-68.5176.1171.8-179.90109.2T60K58-T60 PolarHBondContact O-N 3.23Å
59P50.4Low48.7Very low110 Ų110133.2 Ų133.271%0.71478%0.776SS**  trans-62.5125.6147.929.7-31000108.1D61P59-D61 PolarHBondContact O-N 3.23Å
60T42.3Very low46.9Very low126 Ų126127.9 Ų127.977%0.77377%0.773SS**  trans-84.7100.6167.4-61.50000107.4K58 Q62K58-T60 PolarHBondContact O-N 3.23Å; T60-Q62 PolarHBondContact O-N 3.04Å
61D43.3Very low46Very low146 Ų146129.7 Ų129.778%0.78179%0.79SS**  trans-60.8124.3168.2-70.6-46.1000109P59 N63P59-D61 PolarHBondContact O-N 3.23Å; D61-N63 PolarHBondContact O-N 3.2Å
62Q41Very low45.1Very low178 Ų178124.6 Ų124.683%0.83279%0.788SS**  trans-75.1119.5-177-62.1170.3-8.800109.4T60T60-Q62 PolarHBondContact O-N 3.04Å
63N39.5Very low43.8Very low155 Ų155124.7 Ų124.783%0.82980%0.795SS**  trans-170.587.5161.2-92.2-38.3000110.8D61D61-N63 PolarHBondContact O-N 3.2Å
64N39.4Very low43Very low146 Ų146130.3 Ų130.378%0.78182%0.816SS**  -177.4131.6129-101.411000112.6
65E39.8Very low42.5Very low182 Ų182131.7 Ų131.785%0.8582%0.822SS**  trans17.8122.2137.7-54.1-174.5156.700118.3
66G36.2Very low41.7Very low74 Ų74127.7 Ų127.776%0.76381%0.81SS**  trans-86.4169.5-170.300000116.4
67S41.8Very low41.5Very low134 Ų134128.6 Ų128.694%0.93782%0.82SS**  trans-154.1162.9155.7-83.90000109.5
68A42Very low41.1Very low96 Ų96130.3 Ų130.379%0.79382%0.819SS**  trans-95.7155.2-161.400000115.2
69A38.6Very low40.7Very low110 Ų110129 Ų12991%0.90982%0.82SS**  trans64.7136.6150.800000120.8
70G33.7Very low40.4Very low73 Ų73129.5 Ų129.575%0.75382%0.823SS**  trans126.199.4154.400000116.8
71P43Very low40.8Very low128 Ų128129.2 Ų129.283%0.83182%0.823SS**  trans-78159.615933.3-32.6000111.7
72P43Very low41.1Very low133 Ų133128.2 Ų128.286%0.86482%0.823SS**  trans-92.4162.9-158.936-37.8000115.9
73A36.9Very low41.2Very low103 Ų103124.5 Ų124.585%0.85181%0.808SS**  trans-113.9156.6170.400000112.1
74L36.4Very low41.9Very low177 Ų177122.1 Ų122.193%0.92780%0.795SS**  trans-84.2149.9-173.3-67.7160000113.2
75V43Very low42.8Very low145 Ų145119.3 Ų119.388%0.87979%0.787SS**  trans-127.7136.1159.4176.30000108.6
76S37.8Very low43.3Very low109 Ų109117 Ų11776%0.76278%0.78SS**  trans-95.9153-173.4-173.10000112.8
77G44.3Very low44.2Very low72 Ų72118.7 Ų118.774%0.74277%0.771SS**  trans-167.296.3176.700000111.8L79G77-L79 PolarHBondContact O-N 3.37Å
78N39.7Very low44.8Very low156 Ų156118.8 Ų118.883%0.83476%0.755SS**  trans-73.4109.8-172.8-78.9-10.1000113.5
79L42.9Very low45.2Very low157 Ų157117.8 Ų117.882%0.82275%0.746SS**  trans-136.8134.8143.5-74.8177.8000108G77 P81G77-L79 PolarHBondContact O-N 3.37Å; L79-P81 VanDerWaalsContact O-CD 3.28Å; L79-P81 WeakPolarHBondContact O-CD 3.5Å
80P44.8Very low45.9Very low119 Ų119119.9 Ų119.977%0.77374%0.742SS**PPolyproline II helixtrans-71.2117.9174.728.4-32.1000109.6
81P49.5Very low46.5Very low120 Ų120118.9 Ų118.978%0.77973%0.732SS**PPolyproline II helixtrans-67.8137.1170.429.7-33.3000109.2L79 D83L79-P81 VanDerWaalsContact O-CD 3.28Å; L79-P81 WeakPolarHBondContact O-CD 3.5Å; P81-D83 PolarHBondContact O-N 3.43Å
82V50Low47.4Very low126 Ų126118.1 Ų118.176%0.76473%0.725SS**PPolyproline II helixtrans-64.4119.71721760000108.3L84V82-L84 PolarHBondContact O-N 2.96Å
83D42.4Very low48.1Very low100 Ų100116.4 Ų116.454%0.53571%0.714SS.*  trans-71.191.1-173-176.930.1000112.6P81 S85 N86P81-D83 PolarHBondContact O-N 3.43Å; D83-S85 WeakPolarHBondContact OD1-CB 3.24Å; D83-S85 PolarHBondContact OD1-N 3.29Å; D83-S85 PolarHBondContact OD1-OG 3.37Å; D83-N86 PolarHBondContact OD2-ND2 3.2Å; D83-N86 VanDerWaalsContact OD2-ND2 3.09Å
84L55.2Low49.1Very low104 Ų104121.4 Ų121.455%0.54572%0.716SS.*  trans-97.64.4165.5-58.9178.7000112.1V82 N86 I87V82-L84 PolarHBondContact O-N 2.96Å; L84-N86 PolarHBondContact O-N 2.96Å; L84-N86 VanDerWaalsContact O-N 3.16Å; L84-I87 HydrophobicContact CD2-CD1 3.99Å; L84-I87 PolarHBondContact O-N 2.84Å
85S57.2Low50.4Low88 Ų88120.5 Ų120.562%0.61571%0.711SS**THydrogen-bonded Turntrans-60.8-31.4-171-37.50000112.2D83 I87D83-S85 WeakPolarHBondContact OD1-CB 3.24Å; D83-S85 PolarHBondContact OD1-N 3.29Å; D83-S85 PolarHBondContact OD1-OG 3.37Å; S85-I87 VanDerWaalsContact C-N 3.34Å; S85-I87 PolarHBondContact O-N 3.29Å
86N50.9Low51.3Low133 Ų133123 Ų12371%0.71171%0.71SS**THydrogen-bonded Turntrans-79.1-7.7-179.1-73.9-66.2000114.8D83 L84D83-N86 PolarHBondContact OD2-ND2 3.2Å; D83-N86 VanDerWaalsContact OD2-ND2 3.09Å; L84-N86 PolarHBondContact O-N 2.96Å; L84-N86 VanDerWaalsContact O-N 3.16Å
87I55Low51.9Low110 Ų110123.6 Ų123.656%0.56472%0.715SS**THydrogen-bonded Turntrans-83.4-33.2175.3-56.9-179.9000111.3L84 S85L84-I87 HydrophobicContact CD2-CD1 3.99Å; L84-I87 PolarHBondContact O-N 2.84Å; S85-I87 VanDerWaalsContact C-N 3.34Å; S85-I87 PolarHBondContact O-N 3.29Å
88F53.8Low52Low135 Ų135127.2 Ų127.259%0.59272%0.722SS**  trans-117.625.3-168.2-65.4-75.7000114.6N90 G91F88-N90 PolarHBondContact O-N 2.9Å; F88-G91 PolarHBondContact O-N 2.74Å
89A52Low51.7Low75 Ų75124.9 Ų124.962%0.6272%0.718SS**THydrogen-bonded Turntrans-56.2-8.4-17600000116.6
90N53.3Low51.6Low154 Ų154123.4 Ų123.482%0.82472%0.721SS**THydrogen-bonded Turntrans-146.621.9163.8-86.9-72.5000112.4F88 V92F88-N90 PolarHBondContact O-N 2.9Å; N90-V92 PolarHBondContact O-N 3.41Å
91G45.2Very low51.4Low52 Ų52121.8 Ų121.854%0.53672%0.718SS.*SBendtrans66.3-20.9-178.100000117.3F88F88-G91 PolarHBondContact O-N 2.74Å
92V62.3Low50.8Low113 Ų113123.9 Ų123.969%0.68572%0.722SS**SBendtrans-93.2127.8-176.9-178.90000111.4N90 K94N90-V92 PolarHBondContact O-N 3.41Å; V92-K94 PolarHBondContact O-N 3Å
93P58.2Low50.3Low97 Ų97123.6 Ų123.663%0.6372%0.72SS**  trans-58.6118.1171.7-24.634.8000111.7L95P93-L95 PolarHBondContact O-N 3.15Å
94K56.5Low50Low207 Ų207123.2 Ų123.290%0.973%0.731SS**  trans-79.168.1-174.4-157.2175.2-171.7177.30111.7V92 K96V92-K94 PolarHBondContact O-N 3Å; K94-K96 PolarHBondContact O-N 3.29Å
95L64Low49.4Very low158 Ų158128.4 Ų128.483%0.82774%0.744SS**  trans-58.5129.3177.2-66178.6000110.6P93P93-L95 PolarHBondContact O-N 3.15Å
96K61.6Low48.5Very low197 Ų197130.6 Ų130.686%0.85775%0.749SS**  trans-74.5129.3176.5-62.2179.4-178178.90109.3K94 V98K94-K96 PolarHBondContact O-N 3.29Å; K96-V98 PolarHBondContact O-N 3.03Å; K96-V98 VanDerWaalsContact O-N 3.13Å
97S51.4Low48Very low123 Ų123132.8 Ų132.886%0.8676%0.76SS**  trans-63.3110.9176.7-53.20000111.2S99S97-S99 PolarHBondContact O-N 3.4Å
98V45.4Very low47.1Very low147 Ų147133.1 Ų133.189%0.89177%0.768SS**  trans-77.8111.1166.9-80.60000109.4K96K96-V98 PolarHBondContact O-N 3.03Å; K96-V98 VanDerWaalsContact O-N 3.13Å
99S34.7Very low46.4Very low108 Ų108132.7 Ų132.776%0.75578%0.776SS**  trans-88.7112.4-175.553.40000112.6S97S97-S99 PolarHBondContact O-N 3.4Å
100S40.8Very low45.8Very low125 Ų125137.7 Ų137.787%0.87479%0.786SS**  trans177.4136.8156.1-80.20000108.1
101A39.6Very low44.7Very low86 Ų86137.2 Ų137.271%0.71178%0.784SS**  cis-139-174.7-5.500000109.5
102D36.6Very low44.3Very low163 Ų163141.5 Ų141.587%0.87279%0.793SS**  trans-60.8142.2-158.1-64.3-83.6000118.2
103V39.4Very low43.1Very low120 Ų120141.8 Ų141.873%0.72780%0.8SS**  trans-116.289.1164.3-178.60000109R105V103-R105 WeakPolarHBondContact O-CG 3.4Å
104A37.9Very low42.3Very low92 Ų92143.8 Ų143.876%0.7681%0.811SS**  trans-67.8127155.100000107.7
105R41Very low41.4Very low213 Ų213143.1 Ų143.180%0.80481%0.808SS**  cis56.972.722-61.4179.9177.3158.6-1.5113.9V103V103-R105 WeakPolarHBondContact O-CG 3.4Å
106N38.4Very low40.1Very low135 Ų135141.9 Ų141.972%0.72281%0.81SS**  -175.9129.292.7-88-30.9000112.4T108N106-T108 PolarHBondContact O-N 3.45Å
107N40.5Very low39.2Very low179 Ų179138.4 Ų138.496%0.95781%0.81SS**  trans-9281159.2-86.28.2000108.3
108T37.5Very low38.9Very low117 Ų117137.3 Ų137.372%0.71880%0.803SS**  trans-134.8135.8166.4-48.30000108.6N106N106-T108 PolarHBondContact O-N 3.45Å
109V38.8Very low38.2Very low125 Ų125141 Ų14176%0.75880%0.802SS**  trans-79.2162.2-179.8-170.30000109.7
110Q38.6Very low38.6Very low181 Ų181138.9 Ų138.985%0.84680%0.797SS**  trans78.1142.9177.6-46.4171.811.400113.3
111N30.6Very low38.5Very low144 Ų144140.9 Ų140.977%0.7780%0.798SS**  cis162.6172.5-14.6179.811.3000103.4
112L37.6Very low39Very low141 Ų141143.2 Ų143.274%0.73880%0.804SS**  trans70.176.9177.9-64.996.4000116.8
113S35.3Very low39.9Very low119 Ų119145 Ų14583%0.83280%0.804SS**  36.7111.2119-167.80000119.2
114T42.3Very low41.1Very low140 Ų140144.1 Ų144.186%0.85980%0.803SS**  trans-147.3153.6138.4-22.70000110.4
115K37.6Very low42.8Very low192 Ų192145.7 Ų145.784%0.83581%0.805SS**PPolyproline II helixtrans-46.2145.9-161.1-64.7178176.6179.20116.9
116P36.5Very low44.5Very low132 Ų132139.9 Ų139.986%0.85780%0.803SS**PPolyproline II helixtrans-75.2148.5175.732.9-35.7000112.6
117S43.6Very low46.7Very low124 Ų124138.9 Ų138.987%0.86780%0.803SS**PPolyproline II helixtrans-101.9151.9168.2-167.30000111.6
118S44.2Very low48.7Very low101 Ų101135.8 Ų135.871%0.70679%0.793SS**PPolyproline II helixtrans-68.4129.3-161-1670000115.5G120S118-G120 PolarHBondContact O-N 3.13Å
119Y31.7Very low51Low223 Ų223135.7 Ų135.788%0.87580%0.795SS**  trans27.683.6149.3-68.1-85.6000119.5
120G41.6Very low53.3Low64 Ų64135.2 Ų135.266%0.6679%0.794SS**  trans-91.8125.2147.300000110.4S118 V122S118-G120 PolarHBondContact O-N 3.13Å; G120-V122 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 3.09Å
121N40.1Very low55.4Low167 Ų167131.8 Ų131.889%0.89379%0.788SS**  trans-75.679.2-176.3-119.2-44.3000112K123N121-K123 PolarHBondContact O-N 3.1Å
122V49.7Very low57.6Low135 Ų135129.9 Ų129.982%0.81878%0.783SS**  trans-68.796.7173.6-770000110.4G120 S124G120-V122 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 3.09Å; V122-S124 PolarHBondContact O-N 2.85Å
123K56.1Low59.4Low201 Ų201131.5 Ų131.587%0.87479%0.791SS**  trans-61.9108.7-179-171.1172.6-173.5172.10110.6N121N121-K123 PolarHBondContact O-N 3.1Å
124S64.6Low60.7Low101 Ų101134.1 Ų134.171%0.70679%0.788SS**PPolyproline II helixtrans-50.1141179-55.70000111.9V122 A126V122-S124 PolarHBondContact O-N 2.85Å; S124-A126 PolarHBondContact O-N 2.64Å
125P73.7Confident61.3Low125 Ų125133 Ų13381%0.81278%0.784SS**PPolyproline II helixtrans-59.2141.1174.426.5-34.2000110
126A76.1Confident61.7Low91 Ų91130.2 Ų130.275%0.75278%0.782SS**PPolyproline II helixtrans-61.3141.6178.600000110.6S124S124-A126 PolarHBondContact O-N 2.64Å
127P83.5Confident62Low114 Ų114130.2 Ų130.274%0.7478%0.78SS**PPolyproline II helixtrans-61.3151.7175.527.1-34.8000110.7
128P84.2Confident61.5Low114 Ų114129.2 Ų129.274%0.7478%0.779SS**PPolyproline II helixtrans-60.9149.3174.327.6-34.9000110.6
129P85.3Confident61.1Low116 Ų116127.7 Ų127.775%0.75377%0.773SS**PPolyproline II helixtrans-62.9149.1175.828.3-35000110.8
130P85.6Confident61.3Low114 Ų114122.8 Ų122.874%0.7477%0.772SS**PPolyproline II helixtrans-62.1150.7174.727.8-35000110.9
131P82.8Confident61.1Low110 Ų110125.6 Ų125.671%0.71478%0.775SS**PPolyproline II helixtrans-62.3150174.228.3-35000110.7L133P131-L133 PolarHBondContact O-N 2.97Å
132P78.1Confident60.9Low103 Ų103122 Ų12267%0.66977%0.769SS**PPolyproline II helixtrans-62.8126.9176.226.8-33.9000110.3F134P132-F134 PolarHBondContact O-N 3.39Å; P132-F134 VanDerWaalsContact O-N 3.11Å
133L74.6Confident60.3Low175 Ų175123.1 Ų123.192%0.91677%0.765SS**  trans-68.8106.1170.4-69172.3000108.8P131P131-L133 PolarHBondContact O-N 2.97Å
134F62Low59.5Low175 Ų175120.1 Ų120.177%0.76876%0.759SS**  trans-64.2137.9166.1-68-84.4000109.2P132 T136P132-F134 PolarHBondContact O-N 3.39Å; P132-F134 VanDerWaalsContact O-N 3.11Å; F134-T136 PolarHBondContact O-N 2.77Å
135P56.7Low58.4Low117 Ų117121.5 Ų121.576%0.7676%0.758SS**  trans-66.5108.2175.927.2-33.1000109.4T137P135-T137 PolarHBondContact O-N 2.8Å; P135-T137 VanDerWaalsContact O-N 3.13Å
136T45.4Very low56.6Low132 Ų132126 Ų12681%0.8176%0.761SS**  trans-68.5106.6169.748.60000108.7F134 A138F134-T136 PolarHBondContact O-N 2.77Å; T136-A138 PolarHBondContact O-N 3.05Å
137T43.3Very low54.9Low133 Ų133126.9 Ų126.982%0.81676%0.758SS**  trans-68.777.8178.3-47.70000111P135 A139P135-T137 PolarHBondContact O-N 2.8Å; P135-T137 VanDerWaalsContact O-N 3.13Å; T137-A139 HydrophobicContact CG2-CB 4.49Å; T137-A139 PolarHBondContact O-N 3.44Å
138A33.1Very low52.8Low102 Ų102129.4 Ų129.484%0.84377%0.765SS**  trans-73.493.4172.600000109.5T136T136-A138 PolarHBondContact O-N 3.05Å
139A35Very low50.4Low70 Ų70129.2 Ų129.258%0.57977%0.766SS**  trans-137.5137.1176.200000110.1T137T137-A139 HydrophobicContact CG2-CB 4.49Å; T137-A139 PolarHBondContact O-N 3.44Å
140S36.3Very low48.3Very low120 Ų120128.6 Ų128.684%0.83977%0.771SS**  trans67.4145.8-166.784.80000113.9
141V37.2Very low46.4Very low122 Ų122129.4 Ų129.474%0.73977%0.774SS**  cis-133.2125.47.31790000111.2
142A36.3Very low44.3Very low92 Ų92129.4 Ų129.476%0.7677%0.774SS**  trans-178.192.9153.700000107.6
143Q37.4Very low42.3Very low159 Ų159135.1 Ų135.174%0.74378%0.784SS**  38.3102.382.8-71.4-171.5-30.900111.4
144N39Very low40.8Very low137 Ų137133.1 Ų133.173%0.73378%0.779SS**  -166.8170.158.9-82-51.4000114.5
145N40.3Very low39.8Very low131 Ų131131.4 Ų131.470%0.70178%0.777SS**  trans71.689.7155.1-67.62.7000122.3
146Y37.1Very low38.8Very low220 Ų220133.6 Ų133.686%0.86377%0.771SS**  trans70.9155.4133.9-67.2-78.2000121.5
147P39.4Very low38.4Very low108 Ų108136.8 Ų136.870%0.70178%0.777SS**  trans-121171.8-157.343.9-33.3000115.5
148L39.5Very low38.3Very low168 Ų168138.1 Ų138.188%0.8877%0.774SS**  trans-176.7113.5144.6-94.7152.5000106.7
149S34.6Very low38.5Very low110 Ų110138.9 Ų138.977%0.76977%0.773SS**  82.181.185.1-177.30000115.7
150A41.3Very low38.9Very low102 Ų102140.5 Ų140.584%0.84378%0.78SS**  trans-152.2137.5150.600000108.9
151T44.9Very low39.4Very low132 Ų132141 Ų14181%0.8178%0.78SS**  trans-97.4146.3-165.443.10000114.6
152P39.2Very low39.4Very low110 Ų110141.4 Ų141.471%0.71478%0.783SS**  trans-89.4147.717235.3-33.3000112.5
153Y36Very low39.6Very low223 Ų223140.9 Ų140.988%0.87578%0.779SS**  trans-98.8108.9166.3-89-92000110.7
154T43.1Very low39.7Very low133 Ų133139.2 Ų139.282%0.81678%0.775SS**  trans-137.7129.4163.150.20000109.3
155L40.7Very low39.8Very low138 Ų138139.2 Ų139.272%0.72378%0.775SS**  trans-100.1136.5-168.1-13671.9000112.2
156Y35.2Very low39.7Very low164 Ų164140.3 Ų140.364%0.64378%0.781SS**  trans52.3103.7164.6-58.9-59.1000120.2H158Y156-H158 AromaticContact CD1-CD2 3.88Å; Y156-H158 AromaticContact CD1-CE1 3.76Å; Y156-H158 AromaticContact CD1-NE2 3.24Å; Y156-H158 WeakPolarHBondContact CD1-NE2 3.49Å; Y156-H158 AromaticContact CE1-CE1 3.71Å; Y156-H158 AromaticContact CE1-NE2 3.47Å; Y156-H158 WeakPolarHBondContact CE1-NE2 3.38Å
157Q38.1Very low39.6Very low198 Ų198133.7 Ų133.793%0.92577%0.771SS**  -121.4146.7114.4-70.6-168400108.5
158H40.1Very low39.6Very low162 Ų162135.1 Ų135.175%0.7578%0.778SS**PPolyproline II helixtrans-94.8143.4-176.7-80.2-83.8000112.4Y156Y156-H158 AromaticContact CD1-CD2 3.88Å; Y156-H158 AromaticContact CD1-CE1 3.76Å; Y156-H158 AromaticContact CD1-NE2 3.24Å; Y156-H158 WeakPolarHBondContact CD1-NE2 3.49Å; Y156-H158 AromaticContact CE1-CE1 3.71Å; Y156-H158 AromaticContact CE1-NE2 3.47Å; Y156-H158 WeakPolarHBondContact CE1-NE2 3.38Å
159S37Very low39.3Very low118 Ų118131.9 Ų131.983%0.82578%0.776SS**PPolyproline II helixtrans-74.4153-175.2-46.10000114.5
160S44.9Very low39.7Very low103 Ų103133.2 Ų133.272%0.7278%0.779SS**PPolyproline II helixtrans-78.1166.7159.250.30000112.1
161P46.5Very low39.4Very low130 Ų130139.2 Ų139.284%0.84478%0.78SS**  trans-105.4138.9165.234.9-27.5000113.6
162T37.5Very low38.9Very low131 Ų131140.5 Ų140.580%0.80478%0.782SS**  trans-88.7151.2-168.2-51.40000115.5
163A40.3Very low38.6Very low82 Ų82139.4 Ų139.468%0.67879%0.79SS**  trans-139.9121.1139.800000106.9
164N39.7Very low38.6Very low124 Ų124134 Ų13466%0.66379%0.786SS**  72.4134.760.4105.729.1000111.5
165N40.8Very low38.4Very low137 Ų137132.9 Ų132.973%0.73378%0.783SS**  cis-149.4165.85.3-94.6-44.6000113.1
166N38.3Very low38.8Very low154 Ų154132.8 Ų132.882%0.82479%0.788SS**  trans62.6105.1153.3-89.9-1.9000123.8
167A35.7Very low39.5Very low80 Ų80130.4 Ų130.466%0.66179%0.792SS**  89.6144.8103.700000123.1
168T38.6Very low40Very low138 Ų138125.2 Ų125.285%0.84778%0.784SS**  trans79.4115.2165.4-38.50000117.1
169A33.5Very low41Very low100 Ų100123 Ų12383%0.82678%0.784SS**  trans-101.3136.3176.900000111.8
170V41.6Very low42.2Very low138 Ų138123.4 Ų123.484%0.83678%0.784SS**  trans-133.9140.5163.3-176.50000108.4
171R35.2Very low43.4Very low228 Ų228122.8 Ų122.886%0.8678%0.784SS**  trans-75.9131.9176.5-60.6175179.2-180-1110.3
172N35Very low44.4Very low159 Ų159122 Ų12285%0.8578%0.779SS**  -177.4170.1118.7-90.3-18000110.7
173G33Very low46.2Very low87 Ų87121.3 Ų121.390%0.89778%0.777SS**  trans-64.1134.9-169.600000113.8
174S35.6Very low47.8Very low111 Ų111123 Ų12378%0.77678%0.781SS**  trans-137.1127.4165.9-174.50000108.8V176S174-V176 PolarHBondContact O-N 3.05Å
175S38.7Very low49.2Very low108 Ų108122.5 Ų122.576%0.75578%0.784SS**PPolyproline II helixtrans-70.3119.4175.350.60000109.7P177S175-P177 WeakPolarHBondContact O-CD 3.24Å
176V48.6Very low50.6Low137 Ų137122 Ų12283%0.8379%0.789SS**PPolyproline II helixtrans-58.2121.1169.9-179.50000108.3S174 A178S174-V176 PolarHBondContact O-N 3.05Å; V176-A178 PolarHBondContact O-N 3.27Å
177P50Low52.1Low113 Ų113120.8 Ų120.873%0.73479%0.787SS**PPolyproline II helixtrans-63.3135176.1-19.632.1000109.8S175S175-P177 WeakPolarHBondContact O-CD 3.24Å
178A49.6Very low53.3Low90 Ų90122.7 Ų122.774%0.74479%0.793SS**PPolyproline II helixtrans-60.4142.1168.500000109.5V176V176-A178 PolarHBondContact O-N 3.27Å
179P59.9Low53.8Low116 Ų116121 Ų12175%0.75379%0.792SS**PPolyproline II helixtrans-60.9145.317926-34.4000110.7
180P63.3Low54.5Low126 Ų126127.5 Ų127.582%0.81880%0.796SS**PPolyproline II helixtrans-61.7139.9-179.926.3-34.3000110.9
181A69.3Low54.8Low89 Ų89126.5 Ų126.574%0.73679%0.792SS**PPolyproline II helixtrans-62.3145.8177.100000111.2
182P68.7Low55.5Low114 Ų114120.3 Ų120.374%0.7478%0.784SS**PPolyproline II helixtrans-63149.5177.327.2-34.9000111.4
183P74.9Confident56.1Low117 Ų117119.6 Ų119.676%0.7679%0.785SS**PPolyproline II helixtrans-64.8150.7-179.727.9-35.3000111.8
184P72.9Confident56.5Low117 Ų117119.8 Ų119.876%0.7677%0.772SS**PPolyproline II helixtrans-64.2149.5177.328.2-35.2000111.5
185P70.3Confident56.6Low113 Ų113124 Ų12473%0.73478%0.777SS**PPolyproline II helixtrans-64.5148.6177.728.1-35.2000111.4T187P185-T187 PolarHBondContact O-N 3.41Å
186P69.8Low56.7Low127 Ų127123.9 Ų123.983%0.82578%0.776SS**PPolyproline II helixtrans-65.1124.6-176.925.9-34.2000111.7
187T70.9Confident56.1Low129 Ų129123 Ų12379%0.79178%0.776SS**PPolyproline II helixtrans-59.7131.2177.2-45.40000110.9P185 A189P185-T187 PolarHBondContact O-N 3.41Å; T187-A189 PolarHBondContact O-N 3.29Å
188P59.1Low55.8Low119 Ų119122.8 Ų122.877%0.77378%0.777SS**PPolyproline II helixtrans-56.3127.4176.5-27.135.5000112.1R190P188-R190 PolarHBondContact O-N 2.86Å
189A50.9Low55.3Low102 Ų102126.6 Ų126.684%0.84378%0.783SS**PPolyproline II helixtrans-62.2118.9-17800000111.1T187T187-A189 PolarHBondContact O-N 3.29Å
190R47.6Very low54.2Low238 Ų238126.1 Ų126.190%0.89878%0.782SS**PPolyproline II helixtrans-68.5133.4176.4-164179.4-169-144.44.6109.3P188 S192P188-R190 PolarHBondContact O-N 2.86Å; R190-S192 PolarHBondContact O-N 2.9Å
191P47.4Very low53Low117 Ų117125.4 Ų125.476%0.7678%0.78SS**PPolyproline II helixtrans-58.3126.6-179.4-26.234.8000112.4V193P191-V193 PolarHBondContact O-N 3.13Å
192S50.3Low51.5Low98 Ų98125.8 Ų125.869%0.68578%0.778SS**  trans-71.4112.8171.1178.10000109.7R190 S194R190-S192 PolarHBondContact O-N 2.9Å; S192-S194 PolarHBondContact O-N 3.3Å; S192-S194 PolarHBondContact OG-OG 2.9Å; S192-S194 VanDerWaalsContact OG-OG 3.14Å
193V46.5Very low50.2Low144 Ų144127.2 Ų127.287%0.87378%0.779SS**  trans-75.477.3164.5-100.40000109.1P191 K195P191-V193 PolarHBondContact O-N 3.13Å; V193-K195 PolarHBondContact O-N 3.22Å; V193-K195 VanDerWaalsContact O-N 3.15Å
194S42.1Very low48.6Very low90 Ų90127.9 Ų127.963%0.62978%0.776SS**  trans-65.3109.7179.2-60.70000110.7S192 S196S192-S194 PolarHBondContact O-N 3.3Å; S192-S194 PolarHBondContact OG-OG 2.9Å; S192-S194 VanDerWaalsContact OG-OG 3.14Å; S194-S196 VanDerWaalsContact C-N 3.33Å; S194-S196 PolarHBondContact O-N 3.15Å
195K38.8Very low47.2Very low201 Ų201128.6 Ų128.687%0.87477%0.774SS**  trans-72.684.7170.1-71-178.3177179.70109.9V193 S197V193-K195 PolarHBondContact O-N 3.22Å; V193-K195 VanDerWaalsContact O-N 3.15Å; K195-S197 VanDerWaalsContact C-N 3.35Å; K195-S197 PolarHBondContact O-N 3.5Å
196S40.7Very low45.8Very low105 Ų105129.2 Ų129.273%0.73477%0.771SS**  trans-77.182.8172.651.90000111S194 S198S194-S196 VanDerWaalsContact C-N 3.33Å; S194-S196 PolarHBondContact O-N 3.15Å; S196-S198 PolarHBondContact O-N 3.46Å
197S35.1Very low44.5Very low118 Ų118130.4 Ų130.483%0.82577%0.77SS**  trans-86.291.2169.755.50000110.5K195K195-S197 VanDerWaalsContact C-N 3.35Å; K195-S197 PolarHBondContact O-N 3.5Å
198S43.1Very low43Very low109 Ų109128.2 Ų128.276%0.76276%0.76SS**  trans-137.2112.2175.347.30000110.6S196S196-S198 PolarHBondContact O-N 3.46Å
199I38.8Very low42Very low169 Ų169132.3 Ų132.387%0.86776%0.762SS**  trans-78.4133.2178.8-62.4159.3000109.2
200S37.1Very low41.7Very low106 Ų106135 Ų13574%0.74176%0.761SS**  trans-172.5129.8142.2-86.40000114.3
201S38.9Very low41.1Very low111 Ų111133.6 Ų133.678%0.77676%0.756SS**  trans64.3106.1136.7-53.60000122
202S38.1Very low40.6Very low97 Ų97135.9 Ų135.968%0.67876%0.756SS**  65.2107.4128.7-150.90000120.3
203N41.8Very low40.1Very low144 Ų144136.3 Ų136.377%0.7776%0.759SS**  -170.5125.697.9-91-14000113.6
204N41.2Very low39.8Very low131 Ų131139.4 Ų139.470%0.70176%0.761SS**  trans4.3128.8145.3-57.8-8000117.4
205N41.9Very low39.9Very low132 Ų132144.1 Ų144.171%0.70677%0.773SS**  -167.5142.262.5-92-54.7000115
206N42.6Very low39.8Very low127 Ų127144.2 Ų144.268%0.67977%0.773SS**  trans48101.8136-53.2-15000121.9
207N41.7Very low39.7Very low152 Ų152149 Ų14981%0.81378%0.781SS**  156.9108.1117.2-77.7-21.7000108.5
208S38.4Very low39.8Very low83 Ų83148.6 Ų148.658%0.5878%0.778SS**  56.511567.4-152.30000111.3
209Y39.9Very low39.7Very low205 Ų205147.8 Ų147.880%0.80477%0.772SS**  cis-149.7157.647.3-91.4-86.3000116.2
210L43.7Very low39.9Very low159 Ų159147.7 Ų147.783%0.83277%0.768SS**  trans53.8124.1146.8-75.2158.4000122.5
211R36.1Very low40Very low207 Ų207149.4 Ų149.478%0.78177%0.769SS**  trans-83.3177.3158.4-71.8172.5163.2-123.20.1111.5
212H36.1Very low40.2Very low165 Ų165151.4 Ų151.476%0.76477%0.771SS**  trans83126.7164.5-46.8-80.4000114.4
213S40.1Very low40.3Very low107 Ų107155.3 Ų155.375%0.74878%0.778SS**  cis-15616046.4-69.80000114.1
214F40.5Very low40.9Very low209 Ų209154 Ų15492%0.91778%0.778SS**  trans-84.3121166.8-73.8-96.1000110.6
215H42.6Very low41.2Very low189 Ų189154.8 Ų154.888%0.87578%0.779SS**  trans-143.6131.6157-86.7-69.1000112
216K37.6Very low42.1Very low204 Ų204153.3 Ų153.389%0.88778%0.777SS**  trans-73.7138.7164.2-68.6177.2174.2179.60109.5
217K38.7Very low42.9Very low205 Ų205153 Ų15389%0.89178%0.782SS**  -168.7158124.7-106.1168.5-177.3-175.90112.3
218S36.1Very low43.2Very low109 Ų109152 Ų15276%0.76278%0.775SS**  trans-57.4150.8172.445.90000112.3
219S42.8Very low43.4Very low92 Ų92154.4 Ų154.464%0.64379%0.786SS**  -160.717672-1510000114.9
220E42.8Very low43.5Very low168 Ų168153.1 Ų153.179%0.78579%0.787SS**  trans36.4111.7160.9-76.1140.3117.200120
221N39.4Very low43.6Very low141 Ų141150.7 Ų150.775%0.75478%0.783SS**  88.274.166.5-173.135.6000113.2
222N42.3Very low44.3Very low154 Ų154146.2 Ų146.282%0.82478%0.781SS**  trans-168.3103.4150.5-99.1-40.7000108.1
223Q40.8Very low45.1Very low178 Ų178144 Ų14483%0.83278%0.781SS**  trans-130.4128172.8-82-67.2-42.700108.9M225Q223-M225 PolarHBondContact O-N 3.19Å
224P53.9Low45.1Very low116 Ų116145.1 Ų145.175%0.75378%0.784SS**PPolyproline II helixtrans-69.7129178.528.9-33.3000110.1
225M48.3Very low45.1Very low149 Ų149143.1 Ų143.173%0.73478%0.777SS**PPolyproline II helixtrans-67.8135.4179.3-164.8174.173.400110.3Q223 I228Q223-M225 PolarHBondContact O-N 3.19Å; M225-I228 HydrophobicContact CE-CD1 3.89Å; M225-I228 HydrophobicContact CE-CG1 4.24Å
226P60.8Low44.9Very low100 Ų100139.8 Ų139.865%0.64977%0.77SS**PPolyproline II helixtrans-64.5149.3174.527.6-34.8000110.9I228P226-I228 PolarHBondContact O-N 2.84Å
227P58Low45Very low121 Ų121136.7 Ų136.779%0.78676%0.761SS**PPolyproline II helixtrans-64.8128.7-17625.9-34.2000111.6V229P227-V229 PolarHBondContact O-N 3.44Å
228I47.6Very low45Very low131 Ų131134.8 Ų134.867%0.67276%0.758SS**  trans-69.6114.7175.7-63.3171.2000108.7M225 P226 Q230M225-I228 HydrophobicContact CE-CD1 3.89Å; M225-I228 HydrophobicContact CE-CG1 4.24Å; P226-I228 PolarHBondContact O-N 2.84Å; I228-Q230 PolarHBondContact O-N 3.45Å; I228-Q230 VanDerWaalsContact O-N 3.13Å
229V43.1Very low45.2Very low134 Ų134137.4 Ų137.481%0.81276%0.762SS**  trans-74.9100.4172.4-178.80000108.5P227 S231P227-V229 PolarHBondContact O-N 3.44Å; V229-S231 PolarHBondContact O-N 3.17Å
230Q42.9Very low45Very low177 Ų177138.4 Ų138.483%0.82777%0.769SS**PPolyproline II helixtrans-70.4122171.9-73-173.7-1500110.5I228I228-Q230 PolarHBondContact O-N 3.45Å; I228-Q230 VanDerWaalsContact O-N 3.13Å
231S44.7Very low44.7Very low108 Ų108136 Ų13676%0.75577%0.771SS**PPolyproline II helixtrans-65.8137.9170.8-52.70000110.7V229V229-S231 PolarHBondContact O-N 3.17Å
232P51.9Low44.7Very low114 Ų114136.9 Ų136.974%0.7477%0.774SS**PPolyproline II helixtrans-65.3146.9171.728.5-34.4000110.8V234P232-V234 PolarHBondContact O-N 3.19Å
233P51.7Low44.5Very low117 Ų117134.6 Ų134.676%0.7677%0.768SS**PPolyproline II helixtrans-67.9128.4-176.927-34.5000111.9Q235P233-Q235 PolarHBondContact O-N 3.27Å
234V41Very low44.3Very low132 Ų132133.1 Ų133.180%0.877%0.771SS**  trans-75104.2174.4179.30000109.3P232 V236P232-V234 PolarHBondContact O-N 3.19Å; V234-V236 HydrophobicContact CG1-CG2 4.24Å; V234-V236 PolarHBondContact O-N 3.28Å
235Q41.1Very low43.5Very low166 Ų166132.8 Ų132.878%0.77677%0.772SS**  trans-79.2105.8171-67-171.74.300110.2P233 I237P233-Q235 PolarHBondContact O-N 3.27Å; Q235-I237 PolarHBondContact O-N 2.95Å
236V38.2Very low43Very low119 Ų119131.7 Ų131.772%0.72178%0.778SS**  trans-80.3100.3173.9-177.80000109.1V234 M238V234-V236 HydrophobicContact CG1-CG2 4.24Å; V234-V236 PolarHBondContact O-N 3.28Å; V236-M238 PolarHBondContact O-N 3.14Å
237I39Very low42Very low139 Ų139131.6 Ų131.671%0.71379%0.786SS**  trans-77.8103.6173.4-60.5177.1000108.7Q235 L239Q235-I237 PolarHBondContact O-N 2.95Å; I237-L239 PolarHBondContact O-N 2.99Å
238M39.2Very low40.7Very low166 Ų166131.7 Ų131.782%0.81879%0.79SS**  trans-67.5106.9170.9-72.9-88.6-77.100110V236 S240V236-M238 PolarHBondContact O-N 3.14Å; M238-S240 PolarHBondContact O-N 2.88Å; M238-S240 VanDerWaalsContact O-N 3.16Å
239L39.3Very low40.5Very low163 Ų163131.1 Ų131.185%0.85380%0.795SS**  trans-76.896.7171.6-75.1168.2000109.8I237 S241I237-L239 PolarHBondContact O-N 2.99Å; L239-S241 PolarHBondContact O-N 3.08Å
240S38.9Very low40.2Very low113 Ų113130.2 Ų130.279%0.7979%0.794SS**PPolyproline II helixtrans-69.2122.7173.2470000111.2M238 I242M238-S240 PolarHBondContact O-N 2.88Å; M238-S240 VanDerWaalsContact O-N 3.16Å; S240-I242 PolarHBondContact O-N 3.13Å
241S37.5Very low40.1Very low118 Ų118127.7 Ų127.783%0.82580%0.796SS**PPolyproline II helixtrans-62.1131.8-179.9-48.90000112.3L239L239-S241 PolarHBondContact O-N 3.08Å
242I39.3Very low40Very low160 Ų160127.6 Ų127.682%0.82180%0.795SS**PPolyproline II helixtrans-94.6128.3162.5-61.8179.1000107.5S240S240-I242 PolarHBondContact O-N 3.13Å
243P38.2Very low39.7Very low106 Ų106127.8 Ų127.869%0.68880%0.797SS**PPolyproline II helixtrans-72.4141.1-173.528.4-35.1000112.8
244T35.1Very low39.5Very low146 Ų146127.9 Ų127.990%0.89680%0.797SS**  trans-76.9115.9165.549.30000110
245S37.8Very low39.5Very low110 Ų110127.6 Ų127.677%0.76980%0.798SS**  trans-119.8119.5175.7-63.80000110.7
246S38.2Very low39.2Very low125 Ų125131 Ų13187%0.87480%0.804SS**  trans-85.8124.6179.853.50000112.3
247A39.4Very low39.6Very low99 Ų99132.1 Ų132.182%0.81881%0.81SS**  trans-162110.1156.400000111.9
248S31.7Very low39.5Very low123 Ų123131.4 Ų131.486%0.8681%0.813SS**  trans-97.1137.7147.9-61.30000106.4
249P42.3Very low39.9Very low119 Ų119129.8 Ų129.877%0.77381%0.814SS**  -145.717994.938.8-22.8000115.1
250S37.5Very low40Very low115 Ų115130.1 Ų130.180%0.80482%0.816SS**  trans-55.6140.7-179.952.40000116.9
251S41.3Very low39.8Very low123 Ų123133.4 Ų133.486%0.8682%0.819SS**  trans-162.7171.4134.549.80000111.7
252S41.5Very low39.7Very low106 Ų106135.9 Ų135.974%0.74182%0.822SS**PPolyproline II helixtrans-79.7157.3-167.543.50000115.2
253P45Very low39.6Very low119 Ų119131 Ų13177%0.77381%0.812SS**PPolyproline II helixtrans-74147178.931.1-36.2000113.1
254P47.7Very low39.4Very low118 Ų118131.6 Ų131.677%0.76682%0.818SS**PPolyproline II helixtrans-80.9157.317633.2-35.7000113.2
255P41Very low39.5Very low126 Ų126133 Ų13382%0.81882%0.819SS**PPolyproline II helixtrans-80.9165-178.833.4-36.3000114.2
256R34.6Very low39.4Very low239 Ų239132 Ų13290%0.90282%0.817SS**PPolyproline II helixtrans-65.8148.9172.7-89.6178.9163.9-179.3-5.1112.6
257V46.6Very low39.1Very low141 Ų141132.5 Ų132.586%0.85582%0.815SS**  trans-129.2144157.5-76.30000110.2
258T36.6Very low39Very low125 Ų125134.7 Ų134.777%0.76782%0.818SS**  trans-127.6125.6176.639.40000109.9
259P49.1Very low39.2Very low131 Ų131136.9 Ų136.985%0.85181%0.814SS**  trans-77.8166.4174.932.5-34.3000112.6
260L41.4Very low38.8Very low170 Ų170138.8 Ų138.889%0.8981%0.813SS**  trans-93.7166.9-166.7-71158.4000114.5
261Q34.7Very low39Very low183 Ų183141.2 Ų141.286%0.85582%0.817SS**  trans-104.3135.8179172.8-174.5-11.900111.2
262L35.8Very low38.9Very low169 Ų169141.8 Ų141.889%0.88581%0.81SS**  trans-143.7150.8173.4-98.797.5000112
263G36Very low39.1Very low58 Ų58143.1 Ų143.160%0.59881%0.808SS**  trans86.4121.4179.100000113.1
264S35.2Very low38.8Very low119 Ų119144.5 Ų144.583%0.83281%0.808SS**  cis68.1128.125-380000112.5
265I36.8Very low38.5Very low175 Ų175146.1 Ų146.190%0.89781%0.811SS**  cis-145.3-176.33.814.9170.2000108
266A35.6Very low38.4Very low89 Ų89148.8 Ų148.874%0.73681%0.814SS**  cis-149.3-152.52000000112.4
267T31.1Very low38.8Very low135 Ų135144.9 Ų144.983%0.82881%0.811SS**  trans-137.2138.6-172.648.10000114.3
268V38.1Very low38.4Very low145 Ų145142.5 Ų142.588%0.87980%0.801SS**  trans-148.898.2153.2-177.60000106.6
269H35.8Very low38.5Very low170 Ų170144 Ų14479%0.78780%0.804SS**  91.4146.789.5-147.9-73.7000113.9
270E34.5Very low37.8Very low159 Ų159142.5 Ų142.574%0.74380%0.797SS**  trans-94.5163.7-158.7-51.9168.7134.800114.2
271N41.9Very low37.7Very low166 Ų166141.1 Ų141.189%0.88880%0.796SS**  trans-159.3142130.1-103.1-35.9000111.1
272N38.6Very low38Very low134 Ų134137.7 Ų137.772%0.71779%0.787SS**  trans-145.3122.6-174.117818.8000109.2
273I44.9Very low38.1Very low135 Ų135135.8 Ų135.869%0.69278%0.778SS**  trans-134.6114175.8-58.3-179.7000108.6D275I273-D275 WeakPolarHBondContact CG2-OD2 3.37Å
274N38.2Very low38.3Very low148 Ų148139.8 Ų139.879%0.79179%0.785SS**  trans-109.3110.9161.1-74.2-59.4000107.2
275D41.6Very low38.5Very low152 Ų152141.9 Ų141.981%0.81379%0.787SS**  trans-96.1127.1169.1-81.9-50.8000110.4I273I273-D275 WeakPolarHBondContact CG2-OD2 3.37Å
276M39.4Very low38.6Very low182 Ų182140.7 Ų140.790%0.89778%0.782SS**  trans-85.3145.1170-57.6-168.2-152.600110.2
277N43.8Very low38.8Very low157 Ų157140.2 Ų140.284%0.8479%0.786SS**  trans-138.4139.2146.1-161.4-11.4000109.7
278S36.6Very low39.1Very low90 Ų90138.9 Ų138.963%0.62978%0.778SS**  trans-152.5110.1-174.1-70.10000109.6
279N38.9Very low39.2Very low156 Ų156138.3 Ų138.383%0.83478%0.775SS**  trans177.9134.4152.4-89.4-33.8000106.8
280S34.4Very low39.2Very low101 Ų101135.6 Ų135.671%0.70677%0.77SS**  cis71.1103.548.1-167.90000113.3
281T39.3Very low39.6Very low140 Ų140136.8 Ų136.886%0.85978%0.778SS**  trans-167.6151.7137.8-76.90000109.3
282V40.8Very low39.8Very low112 Ų112133.4 Ų133.468%0.67977%0.765SS**  trans-99.2176.3-167.4-73.10000114.3
283N39.3Very low40.6Very low129 Ų129133 Ų13369%0.6977%0.77SS**  trans105.9107.4146.8-67-22.5000121.9
284N38.6Very low40.7Very low141 Ų141132.1 Ų132.175%0.75477%0.773SS**  83.5159.9119.8-73.1-14.7000123.8
285L41Very low41.1Very low164 Ų164130.9 Ų130.986%0.85977%0.773SS**  trans75.895.1171.5-60.8155.5000114.2
286N38Very low41.1Very low150 Ų150129.8 Ų129.880%0.80278%0.777SS**  79.3120.251.8-165.527.3000113.7
287G40.3Very low41Very low79 Ų79124.6 Ų124.681%0.81477%0.77SS**  trans178.8101.1-17800000111.5
288T36.8Very low40.9Very low107 Ų107128.9 Ų128.966%0.65678%0.775SS**  trans-123.7132.6-163-57.40000112.2T290T288-T290 HydrophobicContact CG2-CG2 4.13Å
289T39.9Very low40.8Very low133 Ų133130.4 Ų130.482%0.81679%0.785SS**  trans-177.4105.815127.20000108.1
290T37.4Very low41.1Very low113 Ų113128.6 Ų128.669%0.69378%0.782SS**  69.5105.964.767.70000116.4T288T288-T290 HydrophobicContact CG2-CG2 4.13Å
291M42.3Very low41.4Very low183 Ų183134.9 Ų134.990%0.90179%0.79SS**  trans-167.9160.3145.4-96.1-88.6102.800108.6
292P46.3Very low41.3Very low96 Ų96138 Ų13862%0.62379%0.786SS**  trans-119.4168-13642.2-35.8000117.8
293P55.5Low41.5Very low126 Ų126142.9 Ų142.982%0.81880%0.798SS**  trans-102.1141.5173.237.8-32000114.6
294P46.2Very low41.3Very low116 Ų116144.4 Ų144.475%0.75380%0.801SS**  trans-145.6176151.737.6-21.7000114
295P47.8Very low41.4Very low122 Ų122143.2 Ų143.279%0.79280%0.804SS**  cis-129.3164.4-30.634.6-18.4000113.7
296S40Very low41.2Very low129 Ų129141.2 Ų141.290%0.90280%0.804SS**  trans-81.3143.9170.9-52.20000112.5
297G38.1Very low41.4Very low73 Ų73139.1 Ų139.175%0.75380%0.801SS**  trans-173.6124.9172.800000118.8
298R41.7Very low41.3Very low247 Ų247142 Ų14293%0.93280%0.798SS**  trans60.591.2154.1-61.3-175.5174.2-165.6-2.7119.6
299S34.9Very low41.3Very low121 Ų121147.3 Ų147.385%0.84681%0.805SS**  trans-68.9152.5143.1-55.60000111.3
300P45.5Very low41.3Very low119 Ų119150.7 Ų150.777%0.77381%0.805SS**  trans-136.3127.8133.414.47.4000115.5
301R40.2Very low41.3Very low233 Ų233153.6 Ų153.688%0.87981%0.811SS**  63.898.6129-162.2-179.6-170.9-172.63.8120.1
302R36.4Very low41.2Very low205 Ų205156 Ų15677%0.77481%0.809SS**  trans20.4117.7141.3-70.2173.361.2-164.1-0.2118.4
303K44.7Very low40.8Very low215 Ų215156.2 Ų156.294%0.93582%0.82SS**  -133.6145.4123.8-84-158.3175-175.50110.7
304Q36.1Very low39.8Very low161 Ų161154 Ų15475%0.75282%0.82SS**  trans-87.1134.2178.8-68.7147.5-104.100109.5
305S40.4Very low39.3Very low115 Ų115153.5 Ų153.580%0.80482%0.819SS**  trans-152.7109.5159.1-173.10000109.4S307S305-S307 PolarHBondContact O-N 2.87Å
306S36.8Very low39Very low122 Ų122154.4 Ų154.485%0.85382%0.822SS**  trans-81.2100.5177.349.70000109.9
307S43.1Very low38.9Very low106 Ų106154.4 Ų154.474%0.74181%0.812SS**  trans-116117.6170.2-173.20000110S305 R309S305-S307 PolarHBondContact O-N 2.87Å; S307-R309 VanDerWaalsContact C-N 3.34Å; S307-R309 PolarHBondContact O-N 2.91Å
308N36.9Very low38.8Very low141 Ų141154.1 Ų154.175%0.75480%0.803SS**  trans-72.283.4-175.8-77-32.3000111.3Y310N308-Y310 WeakPolarHBondContact O-CD2 3.4Å; N308-Y310 PolarHBondContact O-N 3.08Å
309R38.4Very low38.9Very low217 Ų217145.9 Ų145.982%0.81978%0.777SS**  trans-69.295.1166.7-173.9178.2-65.8179.10.2108.8S307 Q311S307-R309 VanDerWaalsContact C-N 3.34Å; S307-R309 PolarHBondContact O-N 2.91Å; R309-Q311 PolarHBondContact O-N 3.43Å
310Y37.9Very low39.9Very low205 Ų205147 Ų14780%0.80478%0.778SS**  trans-57.794177.3-85.9-93.7000111.8N308N308-Y310 WeakPolarHBondContact O-CD2 3.4Å; N308-Y310 PolarHBondContact O-N 3.08Å
311Q38.7Very low40.3Very low174 Ų174147.2 Ų147.281%0.81377%0.773SS**  trans-90.999.3160-70.5-171.8-2.300108.9R309R309-Q311 PolarHBondContact O-N 3.43Å
312R39.3Very low40.4Very low232 Ų232138.8 Ų138.888%0.87576%0.759SS**  trans-127.189.4155.3-76.9-169.6-178.2-104.81.1108.2
313A39.2Very low40.7Very low102 Ų102134.2 Ų134.284%0.84375%0.749SS**  trans-71.7154.6165.400000110.1
314G33.5Very low40.7Very low79 Ų79129.4 Ų129.481%0.81474%0.74SS**  trans78.1102.8163.300000116.6
315S37Very low41.2Very low105 Ų105127.2 Ų127.273%0.73474%0.737SS**  trans172.247.4135.7-175.50000111.5N317S315-N317 PolarHBondContact O-N 3.38Å
316T40.7Very low41.2Very low142 Ų142124.8 Ų124.887%0.87173%0.73SS**  trans-81.266.8173.948.20000111.3A318T316-A318 VanDerWaalsContact C-N 3.28Å; T316-A318 PolarHBondContact O-N 3.02Å; T316-A318 VanDerWaalsContact O-N 3.17Å
317N37.6Very low41.4Very low129 Ų129127.8 Ų127.869%0.6973%0.731SS**  trans-83.378.4164.5-76.4-8.6000108.8S315S315-N317 PolarHBondContact O-N 3.38Å
318A36.8Very low41.3Very low67 Ų67128.3 Ų128.355%0.55473%0.734SS**BIsolated β-bridgetrans-82.3137.3159.300000108.3T316T316-A318 VanDerWaalsContact C-N 3.28Å; T316-A318 PolarHBondContact O-N 3.02Å; T316-A318 VanDerWaalsContact O-N 3.17Å
319D43.1Very low41.5Very low74 Ų74127.5 Ų127.540%0.39674%0.735SS.*  trans-63.8164.4161.9176.840.8000109.9N321 G322 V325D319-N321 PolarHBondContact O-N 3.16Å; D319-N321 PolarHBondContact OD2-ND2 3Å; D319-G322 PolarHBondContact O-N 2.87Å; D319-V325 HydrophobicContact CB-CG2 4.47Å
320V54.9Low41.6Very low143 Ų143126 Ų12687%0.86773%0.734SS**THydrogen-bonded Turntrans-53.9-24.1177.3-176.10000111.9
321N54.8Low41.7Very low124 Ų124122.1 Ų122.166%0.66373%0.731SS**THydrogen-bonded Turntrans-896.5177.2-57.5-70.9000114.9D319 I323D319-N321 PolarHBondContact O-N 3.16Å; D319-N321 PolarHBondContact OD2-ND2 3Å; N321-I323 VanDerWaalsContact C-N 3.26Å; N321-I323 HydrophobicContact CB-CD1 4.42Å; N321-I323 HydrophobicContact CB-CG1 4.34Å; N321-I323 PolarHBondContact O-N 2.95Å
322G42.6Very low41.8Very low57 Ų57120.3 Ų120.359%0.58873%0.726SS**  trans72.58.9175.600000115.8D319D319-G322 PolarHBondContact O-N 2.87Å
323I42.8Very low42Very low108 Ų108120.2 Ų120.255%0.55473%0.726SS**  trans-77.1131.5-178.5-57.1178.7000109.8N321 V325N321-I323 VanDerWaalsContact C-N 3.26Å; N321-I323 HydrophobicContact CB-CD1 4.42Å; N321-I323 HydrophobicContact CB-CG1 4.34Å; N321-I323 PolarHBondContact O-N 2.95Å; I323-V325 PolarHBondContact O-N 3.48Å; I323-V325 VanDerWaalsContact O-N 3.15Å
324P45.4Very low42.4Very low114 Ų114122.4 Ų122.474%0.7472%0.722SS**BIsolated β-bridgetrans-70.8109178.427.7-34000111.2G326P324-G326 PolarHBondContact O-N 2.86Å
325V46.2Very low42.7Very low115 Ų115123.3 Ų123.370%0.69772%0.715SS**  trans-7669.3177.5-1690000109.7D319 I323D319-V325 HydrophobicContact CB-CG2 4.47Å; I323-V325 PolarHBondContact O-N 3.48Å; I323-V325 VanDerWaalsContact O-N 3.15Å
326G39.8Very low43Very low64 Ų64122.4 Ų122.466%0.6671%0.709SS**  trans-134.917.7-156.600000117.2P324P324-G326 PolarHBondContact O-N 2.86Å
327Q41.2Very low43.1Very low186 Ų186123 Ų12387%0.86971%0.707SS**  trans-132.9114.2168.4-67.7-164.49.300111.6T329Q327-T329 PolarHBondContact O-N 2.8Å; Q327-T329 VanDerWaalsContact O-N 3.12Å
328S40.5Very low43.6Very low116 Ų116123.3 Ų123.381%0.81171%0.707SS**  trans-70.5103.4170.9-60.60000110.1K330S328-K330 PolarHBondContact O-N 3.33Å
329T41.4Very low43.9Very low125 Ų125127.8 Ų127.877%0.76772%0.722SS**  trans-59.596.9170.5-52.80000109.8Q327 V331Q327-T329 PolarHBondContact O-N 2.8Å; Q327-T329 VanDerWaalsContact O-N 3.12Å; T329-V331 PolarHBondContact O-N 3.47Å
330K41Very low43.5Very low186 Ų186128.2 Ų128.281%0.80974%0.744SS**  trans-66.799.2172.9-73.6-170.8176.9-175.90108.7S328 I332S328-K330 PolarHBondContact O-N 3.33Å; K330-I332 VanDerWaalsContact C-N 3.28Å; K330-I332 PolarHBondContact O-N 3.28Å
331V39.9Very low42.6Very low122 Ų122126.7 Ų126.774%0.73974%0.74SS**  trans-70.586.7173.8-175.90000108.9T329 R333T329-V331 PolarHBondContact O-N 3.47Å; V331-R333 PolarHBondContact O-N 3.3Å; V331-R333 VanDerWaalsContact O-N 3.13Å
332I39.9Very low41.8Very low137 Ų137127.1 Ų127.170%0.70374%0.741SS**  trans-68107.6170.1-59176.1000107.2K330 I334K330-I332 VanDerWaalsContact C-N 3.28Å; K330-I332 PolarHBondContact O-N 3.28Å; I332-I334 HydrophobicContact CG2-CG1 4.19Å; I332-I334 PolarHBondContact O-N 3.43Å; I332-I334 VanDerWaalsContact O-N 3.1Å
333R44.6Very low42.1Very low230 Ų230130 Ų13087%0.86875%0.749SS**  trans-72.4100.3169-63.3-172.1-167.8-174.85.4108.3V331 S335V331-R333 PolarHBondContact O-N 3.3Å; V331-R333 VanDerWaalsContact O-N 3.13Å; R333-S335 PolarHBondContact O-N 2.95Å; R333-S335 VanDerWaalsContact O-N 3.13Å
334I46.6Very low41.8Very low148 Ų148131 Ų13176%0.75976%0.756SS**  trans-75.498.1168.4-57.5176.7000107.1I332 S336I332-I334 HydrophobicContact CG2-CG1 4.19Å; I332-I334 PolarHBondContact O-N 3.43Å; I332-I334 VanDerWaalsContact O-N 3.1Å; I334-S336 PolarHBondContact O-N 2.86Å
335S39Very low41.9Very low97 Ų97130.1 Ų130.168%0.67875%0.75SS**  trans-73.490171.950.50000109.6R333 N337R333-S335 PolarHBondContact O-N 2.95Å; R333-S335 VanDerWaalsContact O-N 3.13Å; S335-N337 VanDerWaalsContact C-N 3.33Å; S335-N337 PolarHBondContact O-N 2.83Å
336S44.9Very low41.8Very low87 Ų87130.6 Ų130.661%0.60876%0.756SS**  trans-74.982.8175.657.90000110.7I334 I338I334-S336 PolarHBondContact O-N 2.86Å; S336-I338 PolarHBondContact O-N 2.85Å
337N42.1Very low41.6Very low153 Ų153133 Ų13382%0.81876%0.762SS**  trans-71.771.7170.9-72.423.8000109.9S335S335-N337 VanDerWaalsContact C-N 3.33Å; S335-N337 PolarHBondContact O-N 2.83Å
338I49Very low41.4Very low137 Ų137130 Ų13070%0.70376%0.757SS**  trans-111.470.7179-49.5173.4000108.1S336S336-I338 PolarHBondContact O-N 2.85Å
339N42.5Very low41.3Very low160 Ų160130.6 Ų130.686%0.85676%0.758SS**SBendtrans174.6149.8149.5-88.8-19.8000109.4
340G35.1Very low41.1Very low84 Ų84129.9 Ų129.987%0.86676%0.758SS**  trans-55.5130.7-161.100000117.3
341S35.4Very low40.9Very low111 Ų111126.7 Ų126.778%0.77676%0.759SS**  -159.3139.7117.7-165.20000109.3
342L38.4Very low40.7Very low133 Ų133128.3 Ų128.370%0.69676%0.762SS**  trans-77.8127.1165.7-169.374.8000107.3D344L342-D344 PolarHBondContact O-N 3.36Å
343P47.6Very low40.6Very low116 Ų116127.3 Ų127.375%0.75376%0.762SS**  trans-73.7108.816129.7-28.6000107.2
344D36.4Very low40.1Very low129 Ų129123.7 Ų123.769%0.6976%0.76SS**  trans-55.8141.6176-77.7-49000110.9L342L342-D344 PolarHBondContact O-N 3.36Å
345P48.2Very low39.8Very low97 Ų97120.4 Ų120.463%0.6375%0.748SS**  trans-61.8146.9168.129.4-34.2000109.2S347P345-S347 PolarHBondContact O-N 2.92Å
346P43.6Very low39.9Very low125 Ų125126 Ų12681%0.81276%0.756SS**  trans-59.8115.2-178.524.6-33.9000110.5T348P346-T348 PolarHBondContact O-N 2.88Å
347S36.3Very low39.9Very low114 Ų114130.1 Ų130.180%0.79777%0.77SS**PPolyproline II helixtrans-55.8122.4-177.6-480000111P345P345-S347 PolarHBondContact O-N 2.92Å
348T37.2Very low39.8Very low123 Ų123128.4 Ų128.476%0.75577%0.767SS**PPolyproline II helixtrans-62.2137168.837.40000109.5P346 S350P346-T348 PolarHBondContact O-N 2.88Å; T348-S350 PolarHBondContact O-N 2.9Å
349P37Very low39.2Very low129 Ų129127.2 Ų127.284%0.83877%0.771SS**PPolyproline II helixtrans-64.4120.3177.625.9-33000109.8
350S37.6Very low39Very low110 Ų110124.2 Ų124.277%0.76976%0.763SS**PPolyproline II helixtrans-62.7144.9-179-60.60000112.3T348 I352T348-S350 PolarHBondContact O-N 2.9Å; S350-I352 PolarHBondContact O-N 2.89Å
351S36.9Very low39.4Very low119 Ų119126.7 Ų126.783%0.83276%0.761SS**  trans-45125.8173.1177.80000113.1
352I37.2Very low39.7Very low156 Ų156131.1 Ų131.180%0.876%0.762SS**  trans-125.4102.7159.9-63.9-176.8000108.5S350S350-I352 PolarHBondContact O-N 2.89Å
353V36.2Very low39.7Very low115 Ų115131.1 Ų131.170%0.69776%0.763SS**  trans37.3106.6142.7-169.40000117.6
354N35.3Very low39.4Very low155 Ų155133 Ų13383%0.82976%0.764SS**  -152.7114.5123.1-148.715.3000111.9
355P40.6Very low39.9Very low78 Ų78135.2 Ų135.251%0.50678%0.775SS.*  trans-83.9168.216833.9-31.6000111.8
356Y40.1Very low39.4Very low214 Ų214137.5 Ų137.584%0.83978%0.782SS**  trans67.6102.8177.5-51.5-81.5000117
357L45Very low39.2Very low174 Ų174141.6 Ų141.691%0.91178%0.783SS**  -173.2131.6117.7-98173.4000109.5
358P41Very low39.4Very low117 Ų117143.4 Ų143.476%0.7679%0.789SS**  trans-103.2131.7-17436.1-31.4000115.4
359S36.2Very low39.8Very low112 Ų112141.1 Ų141.178%0.78378%0.783SS**  trans58.1150.7140.7-139.80000123.9
360S38.2Very low40Very low98 Ų98142.4 Ų142.469%0.68578%0.783SS**  trans59.596.6153.460.70000121.7
361V43.7Very low40.2Very low135 Ų135142.9 Ų142.982%0.81879%0.786SS**  trans-145.8116.2132-165.40000104.4
362Y41.5Very low40.5Very low204 Ų204149 Ų14980%0.879%0.791SS**  45.3137.591-74.8-87.8000114
363D38Very low41.1Very low133 Ų133146 Ų14671%0.71179%0.789SS**  cis-165.8-170-12.4-156-16.2000108.8
364M40.3Very low41.9Very low157 Ų157148.4 Ų148.477%0.77379%0.793SS**  trans59.4103.9161.5-62.9-152.5-5700118.2
365N46.8Very low43.3Very low175 Ų175146.8 Ų146.894%0.93679%0.79SS**  -16298.4122.2-100.6-52.4000109.3
366N38.9Very low44.5Very low144 Ų144149.1 Ų149.177%0.7780%0.804SS**  trans-143.1159.7179.6-154.3-13.7000109.2
367Y38.3Very low46.2Very low211 Ų211144.3 Ų144.383%0.82780%0.798SS**  trans66.491.9-172.1-56.7-86.5000117
368T41.9Very low48Very low152 Ų152141.4 Ų141.493%0.93379%0.79SS**  -144.7143.4122.3-53.10000110.4
369A45.2Very low50.1Low75 Ų75141.3 Ų141.362%0.6279%0.79SS**  trans-52.5150.4-165.800000119.1
370N40.7Very low52.3Low156 Ų156141.5 Ų141.583%0.83479%0.788SS**  trans56.995.7138-62.7-16.1000119.6
371S43.2Very low54.6Low121 Ų121142.3 Ų142.385%0.84679%0.791SS**  trans-138131.9136.7-850000110.6A373S371-A373 PolarHBondContact O-N 3.14Å
372R41.4Very low56.6Low247 Ų247141.4 Ų141.493%0.93279%0.788SS**  trans-80.361.6-168.9-168.6-179.9-178.5167.90.1111.6H374R372-H374 PolarHBondContact O-N 3.06Å
373A51.1Low58.6Low92 Ų92137.2 Ų137.276%0.7679%0.786SS**PPolyproline II helixtrans-62.2130.1171.700000109.7S371S371-A373 PolarHBondContact O-N 3.14Å
374H53.3Low60.7Low166 Ų166136.2 Ų136.277%0.76979%0.786SS**PPolyproline II helixtrans-63.4147.2171.9-81.9-114000109.8R372 T376R372-H374 PolarHBondContact O-N 3.06Å; H374-T376 PolarHBondContact O-N 3.12Å; H374-T376 VanDerWaalsContact O-N 3.08Å
375P63.3Low62.6Low121 Ų121133.9 Ų133.979%0.78678%0.783SS**PPolyproline II helixtrans-58.3119.2168.726-33.3000108.4
376T67.3Low63.7Low128 Ų128131.4 Ų131.479%0.78578%0.776SS**PPolyproline II helixtrans-59.4127.7174.144.70000108.6H374H374-T376 PolarHBondContact O-N 3.12Å; H374-T376 VanDerWaalsContact O-N 3.08Å
377P75.2Confident64.6Low112 Ų112133.6 Ų133.673%0.72778%0.782SS**PPolyproline II helixtrans-60.2148.1178.626.2-34.2000110.1
378P82.9Confident65.2Low113 Ų113131.5 Ų131.573%0.73478%0.78SS**PPolyproline II helixtrans-58.9149.2175.626.6-34.7000110.4
379P84.1Confident65.8Low116 Ų116130.2 Ų130.275%0.75377%0.774SS**PPolyproline II helixtrans-59.2146.8176.826.1-34.4000110.5
380P84Confident65.6Low115 Ų115132.5 Ų132.575%0.74779%0.786SS**PPolyproline II helixtrans-60.9149.4175.927.5-34.8000110.5
381P85.4Confident65.6Low116 Ų116129.7 Ų129.775%0.75378%0.778SS**PPolyproline II helixtrans-60.2149.3176.227-34.8000110.7
382P85.6Confident65.3Low116 Ų116132.4 Ų132.475%0.75378%0.782SS**PPolyproline II helixtrans-59.6148.4175.826.6-34.6000110.6
383P84.1Confident65.2Low116 Ų116124.9 Ų124.975%0.75377%0.768SS**PPolyproline II helixtrans-59.7145.3175.626.8-34.5000110.1
384P82.2Confident64.7Low111 Ų111125.7 Ų125.772%0.72177%0.765SS**PPolyproline II helixtrans-59.5145.7176.526.4-34.4000110.1
385P79.3Confident64Low108 Ų108124.1 Ų124.170%0.70176%0.76SS**PPolyproline II helixtrans-57.3145.4174.725.9-34.4000109.8Q387P385-Q387 PolarHBondContact O-N 2.89Å; P385-Q387 VanDerWaalsContact O-N 3.07Å
386P70.8Confident62.8Low123 Ų123125.7 Ų125.780%0.79976%0.761SS**PPolyproline II helixtrans-57.6120-179.724.2-33.5000109.2Q388P386-Q388 PolarHBondContact O-N 3.18Å
387Q57.2Low61.6Low191 Ų191123.7 Ų123.789%0.89375%0.746SS**  trans-60.1113178.5-71.1-175.2-10.800108.8P385P385-Q387 PolarHBondContact O-N 2.89Å; P385-Q387 VanDerWaalsContact O-N 3.07Å
388Q51.7Low60.4Low167 Ų167123.7 Ų123.778%0.7873%0.732SS**  trans-59139.8166.8-70.1-176.2-37.300108.2P386 S390P386-Q388 PolarHBondContact O-N 3.18Å; Q388-S390 PolarHBondContact O-N 2.82Å; Q388-S390 PolarHBondContact O-OG 2.83Å
389P54Low58.8Low124 Ų124124.8 Ų124.881%0.80573%0.732SS**  trans-67.598.7-178.526-33.4000110.4S391P389-S391 PolarHBondContact O-N 2.84Å
390S40.7Very low57.2Low124 Ų124124.6 Ų124.687%0.86772%0.724SS**SBendtrans-72.762-177.3-61.80000113.8Q388Q388-S390 PolarHBondContact O-N 2.82Å; Q388-S390 PolarHBondContact O-OG 2.83Å
391S40.4Very low55.7Low96 Ų96123.2 Ų123.267%0.67171%0.711SS**  trans-161.5101.9153.142.60000111.1P389 S393P389-S391 PolarHBondContact O-N 2.84Å; S391-S393 PolarHBondContact O-N 2.87Å
392L37.1Very low54.2Low179 Ų179121.9 Ų121.994%0.93770%0.697SS**  trans-72.968.5167.5-82.7162000110.7
393S40.3Very low53Low89 Ų89123.2 Ų123.262%0.62270%0.698SS**  trans-71121150.5-69.20000106.9S391 M395S391-S393 PolarHBondContact O-N 2.87Å; S393-M395 PolarHBondContact O-N 3.27Å
394P38.9Very low52.3Low108 Ų108121.4 Ų121.470%0.70168%0.682SS**  trans-69.399.3-172.826.7-34.1000110.8N396P394-N396 PolarHBondContact O-N 2.88Å
395M39.7Very low52Low134 Ų134122.3 Ų122.366%0.6668%0.679SS**  trans-72.741170.8-74.7-166.7164.800112.6S393 N397 Y398S393-M395 PolarHBondContact O-N 3.27Å; M395-N397 PolarHBondContact O-N 3.45Å; M395-Y398 HydrophobicContact CB-CD2 3.99Å; M395-Y398 HydrophobicContact CB-CE2 3.99Å; M395-Y398 HydrophobicContact CE-CE2 4.08Å; M395-Y398 HydrophobicContact CG-CD2 4.4Å; M395-Y398 HydrophobicContact CG-CE2 3.88Å; M395-Y398 HydrophobicContact SD-CD2 4.26Å; M395-Y398 HydrophobicContact SD-CE2 3.47Å; M395-Y398 WeakPolarHBondContact SD-CE2 3.49Å
396N38.3Very low51.9Low153 Ų153119.6 Ų119.682%0.81867%0.666SS**  trans-75.669.8173.2-72.9-8000110.3P394P394-N396 PolarHBondContact O-N 2.88Å
397N42.6Very low51.9Low87 Ų87114.4 Ų114.447%0.46563%0.633SS.*  trans166.675.6140.9-174.33.1000110.3M395 N399 D400M395-N397 PolarHBondContact O-N 3.45Å; N397-N399 VanDerWaalsContact C-N 3.31Å; N397-N399 PolarHBondContact OD1-N 3Å; N397-D400 PolarHBondContact ND2-OD2 3.07Å
398Y48.2Very low52.9Low111 Ų111109.8 Ų109.844%0.43561%0.614SS.*THydrogen-bonded Turntrans-87.98.8176.8-107.1-109.3000114.5M395 N402M395-Y398 HydrophobicContact CB-CD2 3.99Å; M395-Y398 HydrophobicContact CB-CE2 3.99Å; M395-Y398 HydrophobicContact CE-CE2 4.08Å; M395-Y398 HydrophobicContact CG-CD2 4.4Å; M395-Y398 HydrophobicContact CG-CE2 3.88Å; M395-Y398 HydrophobicContact SD-CD2 4.26Å; M395-Y398 HydrophobicContact SD-CE2 3.47Å; M395-Y398 WeakPolarHBondContact SD-CE2 3.49Å; Y398-N402 PolarHBondContact O-ND2 3.5Å
399N49.7Very low54.1Low137 Ų137105 Ų10573%0.73360%0.596SS**THydrogen-bonded Turntrans-93.1-33.3-177.9-76.3-17.8000113.2N397N397-N399 VanDerWaalsContact C-N 3.31Å; N397-N399 PolarHBondContact OD1-N 3Å
400D50.4Low55.2Low111 Ų111106.2 Ų106.259%0.59458%0.584SS**THydrogen-bonded Turntrans-79.8-39.7-178.9-69.3-37.6000113.3N397 N402 N403N397-D400 PolarHBondContact ND2-OD2 3.07Å; D400-N402 VanDerWaalsContact C-N 3.26Å; D400-N402 PolarHBondContact O-N 3.07Å; D400-N403 PolarHBondContact O-N 3.11Å
401D53.3Low57Low87 Ų87105.3 Ų105.347%0.46556%0.562SS.*G310 helixtrans-69.3-20-171.6-123-35.6000114.2N403 N404 S407D401-N403 VanDerWaalsContact C-N 3.27Å; D401-N403 PolarHBondContact O-N 3.02Å; D401-N404 PolarHBondContact O-N 3.3Å; D401-S407 WeakPolarHBondContact O-CB 3.34Å; D401-S407 WeakPolarHBondContact OD1-CB 3.48Å; D401-S407 PolarHBondContact OD1-OG 2.79Å
402N54.3Low58.7Low87 Ų87106 Ų10647%0.46555%0.553SS.*G310 helixtrans-75.4-12.8178.6-74.4-53.3000113.6Y398 D400 R411Y398-N402 PolarHBondContact O-ND2 3.5Å; D400-N402 VanDerWaalsContact C-N 3.26Å; D400-N402 PolarHBondContact O-N 3.07Å; N402-R411 PolarHBondContact OD1-NH1 3.4Å
403N59.1Low60.5Low145 Ų145103.2 Ų103.278%0.77554%0.535SS*.G310 helixtrans-95-7.9173.3-73.1-39000113.4D400 D401 I405D400-N403 PolarHBondContact O-N 3.11Å; D401-N403 VanDerWaalsContact C-N 3.27Å; D401-N403 PolarHBondContact O-N 3.02Å; N403-I405 PolarHBondContact O-N 3.13Å
404N71Confident62Low77 Ų77102.7 Ų102.741%0.41253%0.532SS..  trans-85.5115.3-178.8-171.6-13000111.6D401 A406 S407 L408D401-N404 PolarHBondContact O-N 3.3Å; N404-A406 PolarHBondContact O-N 3.4Å; N404-A406 WeakPolarHBondContact OD1-CB 3.31Å; N404-A406 PolarHBondContact OD1-N 2.85Å; N404-S407 PolarHBondContact O-N 3.09Å; N404-L408 PolarHBondContact O-N 3.45Å
405I75.5Confident63.7Low130 Ų130105.3 Ų105.367%0.66753%0.528SS*.Hα-helixtrans-55.1-37177.3-61.9174.5000111.4N403 S407 L408 V409N403-I405 PolarHBondContact O-N 3.13Å; I405-S407 VanDerWaalsContact C-N 3.28Å; I405-S407 PolarHBondContact O-N 2.59Å; I405-L408 PolarHBondContact O-N 3.06Å; I405-V409 HydrophobicContact CG2-CG2 4.11Å; I405-V409 WeakPolarHBondContact O-CB 3.43Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.43Å; I405-V409 PolarHBondContact O-N 3.13Å
406A75.8Confident65.1Low52 Ų52105.5 Ų105.543%0.4353%0.525SS..Hα-helixtrans-69.3-24.1178.500000113.4N404 R410N404-A406 PolarHBondContact O-N 3.4Å; N404-A406 WeakPolarHBondContact OD1-CB 3.31Å; N404-A406 PolarHBondContact OD1-N 2.85Å; A406-R410 WeakPolarHBondContact O-CG 3.39Å; A406-R410 PolarHBondContact O-N 2.82Å; A406-R410 PolarHBondContact O-NE 3.1Å
407S71.2Confident65.9Low14 Ų14103.8 Ų103.810%0.09852%0.52CS..Hα-helixtrans-83.1-32.4173-62.20000111.2D401 N404 I405 R410 R411D401-S407 WeakPolarHBondContact O-CB 3.34Å; D401-S407 WeakPolarHBondContact OD1-CB 3.48Å; D401-S407 PolarHBondContact OD1-OG 2.79Å; N404-S407 PolarHBondContact O-N 3.09Å; I405-S407 VanDerWaalsContact C-N 3.28Å; I405-S407 PolarHBondContact O-N 2.59Å; S407-R410 PolarHBondContact OG-NH2 2.84Å; S407-R411 WeakPolarHBondContact O-CB 3.4Å; S407-R411 WeakPolarHBondContact O-CG 3.21Å; S407-R411 PolarHBondContact O-N 2.96Å
408L77.9Confident66.6Low94 Ų94107.6 Ų107.649%0.49253%0.533SS..Hα-helixtrans-68.7-43.7171.7-167.572.6000112.6N404 I405 R411 F412N404-L408 PolarHBondContact O-N 3.45Å; I405-L408 PolarHBondContact O-N 3.06Å; L408-R411 CarbonylContact O-C 3.55Å; L408-R411 WeakPolarHBondContact O-CB 3.35Å; L408-R411 PolarHBondContact O-N 3.16Å; L408-F412 HydrophobicContact CG-CD2 4.4Å; L408-F412 PolarHBondContact O-N 3.35Å
409V78.4Confident67Low65 Ų65107.1 Ų107.139%0.39454%0.543SS..Hα-helixtrans-62-49.31781680000110.8I405 R411 F412 E413I405-V409 HydrophobicContact CG2-CG2 4.11Å; I405-V409 WeakPolarHBondContact O-CB 3.43Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.43Å; I405-V409 PolarHBondContact O-N 3.13Å; V409-R411 VanDerWaalsContact C-N 3.28Å; V409-R411 PolarHBondContact O-N 3.15Å; V409-F412 WeakPolarHBondContact O-CA 3.44Å; V409-F412 WeakPolarHBondContact O-CB 3.37Å; V409-F412 PolarHBondContact O-N 2.78Å; V409-E413 HydrophobicContact CG1-CG 4.3Å; V409-E413 WeakPolarHBondContact O-CG 3.04Å; V409-E413 PolarHBondContact O-N 3.13Å
410R76.2Confident67.2Low150 Ų150108.4 Ų108.457%0.56655%0.55SS**Hα-helixtrans-59.3-36.6175.6-75.4178.9-68.9169.93.7112.6A406 S407 F412 S414A406-R410 WeakPolarHBondContact O-CG 3.39Å; A406-R410 PolarHBondContact O-N 2.82Å; A406-R410 PolarHBondContact O-NE 3.1Å; S407-R410 PolarHBondContact OG-NH2 2.84Å; R410-F412 VanDerWaalsContact C-N 3.27Å; R410-F412 PolarHBondContact O-N 3.24Å; R410-S414 VanDerWaalsContact O-CB 3.24Å; R410-S414 WeakPolarHBondContact O-CB 3.33Å; R410-S414 PolarHBondContact O-N 3.27Å; R410-S414 PolarHBondContact O-OG 3.25Å
411R77.9Confident67.2Low106 Ų106108.6 Ų108.640%0.455%0.55SS.*Hα-helixtrans-71.1-12.7171.6-84.9179167171.9-0.4114.6N402 S407 L408 V409 R415N402-R411 PolarHBondContact OD1-NH1 3.4Å; S407-R411 WeakPolarHBondContact O-CB 3.4Å; S407-R411 WeakPolarHBondContact O-CG 3.21Å; S407-R411 PolarHBondContact O-N 2.96Å; L408-R411 CarbonylContact O-C 3.55Å; L408-R411 WeakPolarHBondContact O-CB 3.35Å; L408-R411 PolarHBondContact O-N 3.16Å; V409-R411 VanDerWaalsContact C-N 3.28Å; V409-R411 PolarHBondContact O-N 3.15Å; R411-R415 PolarHBondContact O-NE 3.11Å; R411-R415 PolarHBondContact O-NH2 2.99Å
412F76.6Confident66.5Low109 Ų109107.4 Ų107.448%0.47856%0.558SS.*Hα-helixtrans-90.1-49170.1-102.4-80.9000110.3L408 V409 R410 S414 R415 F416L408-F412 HydrophobicContact CG-CD2 4.4Å; L408-F412 PolarHBondContact O-N 3.35Å; V409-F412 WeakPolarHBondContact O-CA 3.44Å; V409-F412 WeakPolarHBondContact O-CB 3.37Å; V409-F412 PolarHBondContact O-N 2.78Å; R410-F412 VanDerWaalsContact C-N 3.27Å; R410-F412 PolarHBondContact O-N 3.24Å; F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 2.88Å; F412-R415 PolarHBondContact O-N 3.23Å; F412-F416 HydrophobicContact CD1-CE2 4.23Å; F412-F416 WeakPolarHBondContact O-CD2 3.28Å; F412-F416 PolarHBondContact O-N 3Å
413E76Confident66.4Low121 Ų121109 Ų10957%0.56558%0.576SS**Hα-helixtrans-56.6-43.7175.5-67.1169.2157.900111.6V409 R415 F416V409-E413 HydrophobicContact CG1-CG 4.3Å; V409-E413 WeakPolarHBondContact O-CG 3.04Å; V409-E413 PolarHBondContact O-N 3.13Å; E413-R415 PolarHBondContact O-N 3.14Å; E413-R415 VanDerWaalsContact O-N 3.08Å; E413-F416 CarbonylContact O-C 3.51Å; E413-F416 WeakPolarHBondContact O-CA 3.46Å; E413-F416 PolarHBondContact O-N 3.17Å
414S71.7Confident66.1Low79 Ų79106.5 Ų106.555%0.55257%0.566SS**THydrogen-bonded Turntrans-67-8.5177.580.20000114.8R410 F412R410-S414 VanDerWaalsContact O-CB 3.24Å; R410-S414 WeakPolarHBondContact O-CB 3.33Å; R410-S414 PolarHBondContact O-N 3.27Å; R410-S414 PolarHBondContact O-OG 3.25Å; F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 2.88Å
415R73.3Confident65.2Low163 Ų163108.2 Ų108.262%0.61558%0.582SS**THydrogen-bonded Turntrans-99.7-5.8171.2-78.2-177.8-76.5174.7-0.9112.9R411 F412 E413R411-R415 PolarHBondContact O-NE 3.11Å; R411-R415 PolarHBondContact O-NH2 2.99Å; F412-R415 PolarHBondContact O-N 3.23Å; E413-R415 PolarHBondContact O-N 3.14Å; E413-R415 VanDerWaalsContact O-N 3.08Å
416F70Confident64.4Low137 Ų137108.2 Ų108.260%0.60159%0.587SS**  trans-114.150.3170.8-65.6-68.3000110.8F412 E413 F418F412-F416 HydrophobicContact CD1-CE2 4.23Å; F412-F416 WeakPolarHBondContact O-CD2 3.28Å; F412-F416 PolarHBondContact O-N 3Å; E413-F416 CarbonylContact O-C 3.51Å; E413-F416 WeakPolarHBondContact O-CA 3.46Å; E413-F416 PolarHBondContact O-N 3.17Å; F416-F418 HydrophobicContact CB-CE2 4.26Å; F416-F418 WeakPolarHBondContact O-CD2 3.47Å; F416-F418 PolarHBondContact O-N 2.97Å
417T55.6Low63.5Low117 Ų117111.2 Ų111.272%0.71860%0.602SS**  trans-6488157.247.80000108.7
418F55.5Low62.8Low167 Ų167120.3 Ų120.373%0.73264%0.64SS**  trans-54.9130.3158-68.9-86.9000107.4F416 D420F416-F418 HydrophobicContact CB-CE2 4.26Å; F416-F418 WeakPolarHBondContact O-CD2 3.47Å; F416-F418 PolarHBondContact O-N 2.97Å; F418-D420 PolarHBondContact O-N 2.85Å
419P58.1Low61.9Low101 Ų101120.6 Ų120.666%0.65665%0.65SS**  trans-53.5135163.1-2132.7000107.8I421P419-I421 VanDerWaalsContact C-N 3.34Å; P419-I421 PolarHBondContact O-N 3.18Å
420D52.7Low60.8Low164 Ų164127 Ų12788%0.87767%0.668SS**  trans-66.497.4179.3-1695.6000108.8F418 G422F418-D420 PolarHBondContact O-N 2.85Å; D420-G422 PolarHBondContact O-N 3.14Å
421I50.6Low59.8Low116 Ų116129.6 Ų129.660%0.59568%0.68SS**  trans-80.260.5-171.241.2168.9000110.5P419 S423 V424P419-I421 VanDerWaalsContact C-N 3.34Å; P419-I421 PolarHBondContact O-N 3.18Å; I421-S423 PolarHBondContact O-N 3.05Å; I421-S423 VanDerWaalsContact O-N 3.13Å; I421-V424 HydrophobicContact CB-CG2 3.79Å; I421-V424 HydrophobicContact CG2-CG2 4.22Å; I421-V424 PolarHBondContact O-N 3.3Å
422G39.3Very low58.7Low62 Ų62126 Ų12664%0.63968%0.675SS**THydrogen-bonded Turntrans-47.6117.1177.300000111.4D420 V424D420-G422 PolarHBondContact O-N 3.14Å; G422-V424 VanDerWaalsContact C-N 3.34Å; G422-V424 PolarHBondContact O-N 2.85Å
423S52Low57.5Low120 Ų120126 Ų12684%0.83969%0.686SS**THydrogen-bonded Turntrans57.333.7172.7-56.40000116.1I421 P425I421-S423 PolarHBondContact O-N 3.05Å; I421-S423 VanDerWaalsContact O-N 3.13Å; S423-P425 WeakPolarHBondContact O-CD 3.24Å
424V52Low56.5Low92 Ų92128.6 Ų128.656%0.55870%0.696SS**PPolyproline II helixtrans-59.2118.9162.3170.80000108.7I421 G422 V426I421-V424 HydrophobicContact CB-CG2 3.79Å; I421-V424 HydrophobicContact CG2-CG2 4.22Å; I421-V424 PolarHBondContact O-N 3.3Å; G422-V424 VanDerWaalsContact C-N 3.34Å; G422-V424 PolarHBondContact O-N 2.85Å; V424-V426 PolarHBondContact O-N 2.89Å; V424-V426 VanDerWaalsContact O-N 3.14Å
425P53.4Low55.4Low114 Ų114130.7 Ų130.774%0.7471%0.705SS**PPolyproline II helixtrans-66.3118.1-177.6-20.933.8000110.3S423 P427S423-P425 WeakPolarHBondContact O-CD 3.24Å; P425-P427 WeakPolarHBondContact O-CD 3.47Å; P425-P427 VanDerWaalsContact O-N 3.17Å
426V58.8Low54Low130 Ų130133 Ų13379%0.78872%0.715SS**PPolyproline II helixtrans-56.2121.5174.6-178.80000108.4V424 K428V424-V426 PolarHBondContact O-N 2.89Å; V424-V426 VanDerWaalsContact O-N 3.14Å; V426-K428 PolarHBondContact O-N 2.85Å; V426-K428 VanDerWaalsContact O-N 3.14Å
427P56.7Low52.9Low115 Ų115137.7 Ų137.775%0.74773%0.729SS**PPolyproline II helixtrans-57.6122.7177.5-25.134.8000109.6P425 S429P425-P427 WeakPolarHBondContact O-CD 3.47Å; P425-P427 VanDerWaalsContact O-N 3.17Å; P427-S429 PolarHBondContact O-N 3.1Å
428K57Low52.5Low204 Ų204138.6 Ų138.689%0.88773%0.734SS**PPolyproline II helixtrans-53.3126.5175.2-72.9-178.2177.9177.60108.3V426 Y430V426-K428 PolarHBondContact O-N 2.85Å; V426-K428 VanDerWaalsContact O-N 3.14Å; K428-Y430 PolarHBondContact O-N 2.99Å; K428-Y430 VanDerWaalsContact O-N 3.1Å
429S58.8Low51.7Low100 Ų100133.6 Ų133.670%0.69973%0.73SS**PPolyproline II helixtrans-52.9119.3-177.531.10000110P427 Y431P427-S429 PolarHBondContact O-N 3.1Å; S429-Y431 PolarHBondContact O-N 2.88Å
430Y55.3Low50.9Low199 Ų199134 Ų13478%0.7874%0.736SS**  trans-66.999.6-176.7177.8-107.7000109.4K428 G432K428-Y430 PolarHBondContact O-N 2.99Å; K428-Y430 VanDerWaalsContact O-N 3.1Å; Y430-G432 PolarHBondContact O-N 3.23Å
431Y55.1Low50.4Low206 Ų206133.6 Ų133.681%0.80873%0.732SS**  trans-66.885.6163.6-89.2-91000108.2S429S429-Y431 PolarHBondContact O-N 2.88Å
432G54.4Low50Low30 Ų30135.1 Ų135.131%0.30974%0.741SS.*  trans-56.1157.8168.900000111.1Y430 K434Y430-G432 PolarHBondContact O-N 3.23Å; G432-K434 PolarHBondContact O-N 3.33Å
433P52.1Low49.9Very low108 Ų108137.6 Ų137.670%0.70175%0.748SS**  trans-54.3129.6-178.823.6-33.9000109.9T435P433-T435 PolarHBondContact O-N 2.84Å
434K54.7Low49.3Very low177 Ų177136.3 Ų136.377%0.7774%0.739SS**  trans-59.4100.7177.6-74.8-177.6177.4178.50108.9G432 Y436G432-K434 PolarHBondContact O-N 3.33Å; K434-Y436 WeakPolarHBondContact O-CD2 3.44Å; K434-Y436 PolarHBondContact O-N 3.08Å
435T48Very low48.8Very low123 Ų123138.6 Ų138.676%0.75575%0.753SS**  trans-67.2107.8168.744.40000107.5P433 R437P433-T435 PolarHBondContact O-N 2.84Å; T435-R437 VanDerWaalsContact C-N 3.3Å; T435-R437 PolarHBondContact O-N 2.89Å
436Y44.5Very low48.2Very low210 Ų210140.2 Ų140.282%0.82476%0.756SS**  trans-62.796.5169.3-70.6-96.1000107.4K434 V438K434-Y436 WeakPolarHBondContact O-CD2 3.44Å; K434-Y436 PolarHBondContact O-N 3.08Å; Y436-V438 VanDerWaalsContact C-N 3.28Å; Y436-V438 PolarHBondContact O-N 2.85Å
437R46.2Very low47.1Very low236 Ų236140.3 Ų140.389%0.89175%0.752SS**  trans-62.998.3164-77.2-172.1178.3-117.73.4106.6T435 G439T435-R437 VanDerWaalsContact C-N 3.3Å; T435-R437 PolarHBondContact O-N 2.89Å; R437-G439 PolarHBondContact O-N 3.02Å
438V47Very low46.4Very low136 Ų136140.2 Ų140.282%0.82475%0.754SS**  trans-54.9112.5160.6179.20000105.4Y436 S440Y436-V438 VanDerWaalsContact C-N 3.28Å; Y436-V438 PolarHBondContact O-N 2.85Å; V438-S440 PolarHBondContact O-N 3.06Å; V438-S440 VanDerWaalsContact O-N 3.08Å
439G39.7Very low45.5Very low62 Ų62137.2 Ų137.264%0.63975%0.748SS**  trans-66.5111-175.100000109.4R437 I441R437-G439 PolarHBondContact O-N 3.02Å; G439-I441 PolarHBondContact O-N 2.89Å
440S40.9Very low44.8Very low111 Ų111139.5 Ų139.578%0.77675%0.752SS**  trans-52.8127167-560000108.5V438 N442V438-S440 PolarHBondContact O-N 3.06Å; V438-S440 VanDerWaalsContact O-N 3.08Å; S440-N442 PolarHBondContact O-N 3.24Å
441I42.3Very low44.3Very low155 Ų155136.8 Ų136.880%0.79575%0.75SS**  trans-69.197.6-174.9-56.7168.2000107.9G439 S443G439-I441 PolarHBondContact O-N 2.89Å; I441-S443 PolarHBondContact O-N 3.03Å
442N42.1Very low43.4Very low148 Ų148133.7 Ų133.779%0.79175%0.747SS**  trans-7199.7174-97.40.5000108.7S440 S444S440-N442 PolarHBondContact O-N 3.24Å; N442-S444 PolarHBondContact O-N 3.17Å
443S36.5Very low43.1Very low113 Ų113140.7 Ų140.779%0.7978%0.778SS**  trans-68.853.3169-56.20000112I441 V445I441-S443 PolarHBondContact O-N 3.03Å; S443-V445 PolarHBondContact O-N 2.78Å
444S39.7Very low42.5Very low94 Ų94141.1 Ų141.166%0.65777%0.774SS**  trans-8191.2171.8-176.10000108.5N442 N446N442-S444 PolarHBondContact O-N 3.17Å; S444-N446 PolarHBondContact O-N 3.1Å; S444-N446 VanDerWaalsContact O-N 3.1Å
445V41.4Very low41.7Very low140 Ų140142.7 Ų142.785%0.84878%0.777SS**  trans-49.2117.3169.6-179.70000108.8S443S443-V445 PolarHBondContact O-N 2.78Å
446N42Very low41.4Very low148 Ų148147.5 Ų147.579%0.79178%0.781SS**  trans-144.3125.1166-137.1-12.4000111S444S444-N446 PolarHBondContact O-N 3.1Å; S444-N446 VanDerWaalsContact O-N 3.1Å
447N35.6Very low41.4Very low131 Ų131143.1 Ų143.170%0.70177%0.772SS**  trans-81.1124.5-164.9-168.45.8000110.3
448S41.6Very low41.2Very low113 Ų113140.3 Ų140.379%0.7977%0.769SS**  trans-157.984.4176.2-76.50000110.9N450S448-N450 PolarHBondContact O-N 3.35Å
449N38.8Very low41Very low142 Ų142139.5 Ų139.576%0.75976%0.764SS**  trans-65.8119.1167.8-64.1-40.9000109.8
450N42.8Very low41.5Very low147 Ų147141.9 Ų141.979%0.78677%0.768SS**  trans-169.6144.9138.1-104-35.3000114.2S448S448-N450 PolarHBondContact O-N 3.35Å
451L44.6Very low41.6Very low143 Ų143146.7 Ų146.775%0.74977%0.771SS**  trans42.5121.3164.7-76.183.6000120.1
452N37.2Very low42Very low140 Ų140150.8 Ų150.875%0.74978%0.776SS**  19.7109.3128.7-74.7-14.9000117.6
453D47.1Very low42.5Very low177 Ų177150 Ų15095%0.94778%0.777SS**  -140129.8122.7-116.7-33.7000109.5
454N40.8Very low43.5Very low118 Ų118148.5 Ų148.563%0.63177%0.771SS**  trans-119.3111.3-154.9-148-8.9000111.1
455Y37.6Very low44.3Very low210 Ų210150 Ų15082%0.82478%0.779SS**  trans62.8135.9-177.3-54.9-91000116.4
456R41.8Very low45Very low224 Ų224148.1 Ų148.185%0.84578%0.778SS**  165.297.4104.8-165.6170.1-163.4-173.85113.5
457N43Very low46.1Very low118 Ų118145.3 Ų145.363%0.63178%0.775SS**  trans74.4120.1138.1-63.58000122.6
458Q42.2Very low47.3Very low177 Ų177144.9 Ų144.983%0.82778%0.78SS**  trans87109.7131.9-67.7175.4122.300120.5
459V42.5Very low48.4Very low118 Ų118150.9 Ų150.972%0.71579%0.785SS**  trans-81.5127.3163.7-179.50000110.1Y461V459-Y461 HydrophobicContact CG1-CD2 3.84Å; V459-Y461 HydrophobicContact CG1-CE2 4.07Å; V459-Y461 PolarHBondContact O-N 2.97Å
460P50.9Low49.5Very low113 Ų113151.6 Ų151.673%0.73479%0.789SS**  trans-89.585.3170.734-31.9000111.3R462P460-R462 PolarHBondContact O-N 3.32Å
461Y42.8Very low50.4Low212 Ų212159.1 Ų159.183%0.83181%0.808SS**  trans-64.1100.9164-91.5-84.1000109.4V459 V463V459-Y461 HydrophobicContact CG1-CD2 3.84Å; V459-Y461 HydrophobicContact CG1-CE2 4.07Å; V459-Y461 PolarHBondContact O-N 2.97Å; Y461-V463 VanDerWaalsContact C-N 3.33Å; Y461-V463 PolarHBondContact O-N 3Å
462R50.6Low50.7Low240 Ų240160 Ų16091%0.90681%0.811SS**  trans-75.885.5172.4-76.9-166.3177.3-88.32.6110.7P460P460-R462 PolarHBondContact O-N 3.32Å
463V54Low51.4Low132 Ų132161 Ų16180%0.882%0.815SS**PPolyproline II helixtrans-60.1132.4160.6-1790000108.4Y461Y461-V463 VanDerWaalsContact C-N 3.33Å; Y461-V463 PolarHBondContact O-N 3Å
464A55.6Low51.6Low82 Ų82160.1 Ų160.168%0.67881%0.807SS**PPolyproline II helixtrans-75.8144.8176.900000110.8
465P58Low52.2Low126 Ų126162.6 Ų162.682%0.81882%0.818SS**PPolyproline II helixtrans-62.2139.9175.7-20.332.5000111.7
466A55.6Low53.2Low99 Ų99159.6 Ų159.682%0.81882%0.817SS**PPolyproline II helixtrans-67.6137.8170.600000110.5
467A64.6Low53.9Low90 Ų90155.3 Ų155.374%0.74482%0.815SS**PPolyproline II helixtrans-69.9142.9173.700000110.7R469A467-R469 PolarHBondContact O-N 3.42Å
468P62.1Low54.7Low122 Ų122158 Ų15879%0.79283%0.829SS**PPolyproline II helixtrans-67.6130178.328-33.9000110.7
469R63.8Low55.7Low239 Ų239156.5 Ų156.590%0.90283%0.829SS**PPolyproline II helixtrans-74.7129.6156.6-81.9-177.4166.9177-5107.9A467A467-R469 PolarHBondContact O-N 3.42Å
470N61.6Low56.8Low157 Ų157159.8 Ų159.884%0.8484%0.838SS**PPolyproline II helixtrans-69152.4157.4-74.3-47.3000109.2
471Y61.6Low57.3Low305 Ų305164 Ų164100%1.19685%0.848SS**  trans-76.50164.8-75.8-95000110.6

Retrieved 471 of 471 residues in 73.3 ms (Link to these results)