A0A5K4F1X3_SCHMA Loading...

Serine/threonine-protein kinase Doa AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1X3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,463 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M30.6Very low46Very low230 Ų230129.9 Ų129.9100%1.13374%0.744SS**  0148.70-77.3174.166.300109.8
2P39.8Very low47.5Very low117 Ų117129.6 Ų129.676%0.7674%0.737SS**  trans-77.8153177.332.5-35.3000112.6S4P2-S4 PolarHBondContact O-N 3.5Å
3Y38.8Very low48.9Very low203 Ų203125.8 Ų125.880%0.79672%0.72SS**  trans-80.5100.4177.7-75.8-92000111.7S5Y3-S5 PolarHBondContact O-N 3.23Å; Y3-S5 VanDerWaalsContact O-N 3.12Å; Y3-S5 PolarHBondContact O-OG 3.33Å
4S43.5Very low49.8Very low114 Ų114124.4 Ų124.480%0.79772%0.722SS**  trans-63.3111.4168.3-71.20000110.2P2 S6P2-S4 PolarHBondContact O-N 3.5Å; S4-S6 VanDerWaalsContact C-N 3.32Å; S4-S6 PolarHBondContact O-N 2.83Å
5S41.4Very low51.8Low120 Ų120117.8 Ų117.884%0.83968%0.683SS**  trans-80.869.7-168.9-70.10000113.2Y3Y3-S5 PolarHBondContact O-N 3.23Å; Y3-S5 VanDerWaalsContact O-N 3.12Å; Y3-S5 PolarHBondContact O-OG 3.33Å
6S44.6Very low53.2Low105 Ų105115 Ų11573%0.73468%0.678SS**  trans-115.456.9176-160.30000112.3S4 H8S4-S6 VanDerWaalsContact C-N 3.32Å; S4-S6 PolarHBondContact O-N 2.83Å; S6-H8 PolarHBondContact O-N 2.8Å
7S45.6Very low54.9Low107 Ų107118.6 Ų118.675%0.74868%0.677SS**  trans-80.265.517549.10000111.6V9S7-V9 PolarHBondContact O-N 3.49Å
8H48.1Very low56.2Low169 Ų169115.1 Ų115.178%0.78265%0.653SS**  trans-71.857.3173.7-168.4-71.7000111.5S6 P10S6-H8 PolarHBondContact O-N 2.8Å; H8-P10 WeakPolarHBondContact O-CD 3.49Å
9V54.6Low57.6Low93 Ų93115.6 Ų115.656%0.56465%0.648SS**  trans-75.6119.2174.4-179.50000107.9S7 L11S7-V9 PolarHBondContact O-N 3.49Å; V9-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact O-N 3.11Å
10P58.8Low58.6Low104 Ų104115.7 Ų115.768%0.67565%0.646SS**  trans-62.2117.7-176.824-33.1000110.5H8 L12H8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-L12 PolarHBondContact O-N 2.92Å
11L60.3Low59.8Low67 Ų67115.5 Ų115.535%0.35164%0.64SS.*  trans-70.6111.9180-65.8171.4000109.3V9 R17 H18V9-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact O-N 3.11Å; L11-R17 HydrophobicContact CD1-CB 3.74Å; L11-R17 HydrophobicContact CD2-CB 4.14Å; L11-H18 HydrophobicContact CB-CB 4.12Å; L11-H18 PolarHBondContact O-ND1 3.05Å
12L63.2Low61.9Low126 Ų126109.3 Ų109.366%0.6661%0.611SS**  trans-56.3144174.9-63.2174000110.6P10 S14 D15P10-L12 PolarHBondContact O-N 2.92Å; L12-S14 PolarHBondContact O-N 3.09Å; L12-D15 PolarHBondContact O-N 2.92Å
13P66.2Low63.5Low81 Ų81112.3 Ų112.353%0.52661%0.607SS.*THydrogen-bonded Turntrans-54.5-21.1179.2-28.636.1000115.2
14S61.5Low65.3Low106 Ų106109.4 Ų109.474%0.74160%0.599SS**THydrogen-bonded Turntrans-73.4-24.1175.7-480000114.2L12L12-S14 PolarHBondContact O-N 3.09Å
15D79.4Confident66.7Low25 Ų25106.8 Ų106.813%0.13458%0.58CS.*SBendtrans-77.9141.4-175.7-168.439.5000112.3L12 R17 H18 K19 R1433L12-D15 PolarHBondContact O-N 2.92Å; D15-R17 PolarHBondContact O-N 2.75Å; D15-R17 WeakPolarHBondContact OD2-CB 3.34Å; D15-H18 PolarHBondContact O-N 3.08Å; D15-K19 PolarHBondContact O-N 3.36Å; D15-R1433 IonicContact OD1-CZ 3.71Å; D15-R1433 VanDerWaalsContact OD1-CZ 3.3Å; D15-R1433 IonicContact OD1-NH1 2.7Å; D15-R1433 PolarHBondContact OD1-NH1 3.28Å; D15-R1433 IonicContact OD1-NH2 2.65Å; D15-R1433 PolarHBondContact OD1-NH2 3.13Å; D15-R1433 IonicContact OD2-NH1 2.73Å
16A74.5Confident67.8Low73 Ų73110.5 Ų110.560%0.60358%0.577SS**Hα-helixtrans-59.7-30.6-179.100000112.2K19 L20A16-K19 PolarHBondContact O-N 3.23Å; A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.28Å
17R81.5Confident68.5Low176 Ų176111 Ų11166%0.66457%0.571SS**Hα-helixtrans-62.6-40.7173.2-77.6-170.5163.8-150.1-2.4112.8L11 D15 L20 Q21L11-R17 HydrophobicContact CD1-CB 3.74Å; L11-R17 HydrophobicContact CD2-CB 4.14Å; D15-R17 PolarHBondContact O-N 2.75Å; D15-R17 WeakPolarHBondContact OD2-CB 3.34Å; R17-L20 PolarHBondContact O-N 3.24Å; R17-Q21 WeakPolarHBondContact O-CB 3.46Å; R17-Q21 PolarHBondContact O-N 3.27Å
18H78.1Confident69Low55 Ų55110.2 Ų110.226%0.25556%0.559SS.*Hα-helixtrans-63.6-46.8177.5-164.2145.4000110L11 D15 L20 Q21 L22L11-H18 HydrophobicContact CB-CB 4.12Å; L11-H18 PolarHBondContact O-ND1 3.05Å; D15-H18 PolarHBondContact O-N 3.08Å; H18-L20 VanDerWaalsContact C-N 3.26Å; H18-L20 PolarHBondContact O-N 3.5Å; H18-Q21 WeakPolarHBondContact O-CB 3.49Å; H18-Q21 PolarHBondContact O-N 3.3Å; H18-Q21 VanDerWaalsContact O-N 3.16Å; H18-L22 VanDerWaalsContact CD2-CD1 3.49Å; H18-L22 WeakPolarHBondContact CD2-CD1 3.39Å; H18-L22 PolarHBondContact O-N 2.98Å
19K83.8Confident69.2Low126 Ų126106.9 Ų106.955%0.54855%0.554SS.*Hα-helixtrans-62.1-31.5176.2-67.9-179.3179.5175.50113.1D15 A16 R23D15-K19 PolarHBondContact O-N 3.36Å; A16-K19 PolarHBondContact O-N 3.23Å; K19-R23 WeakPolarHBondContact O-CG 3.45Å; K19-R23 PolarHBondContact O-N 3.26Å
20L77.8Confident69.1Low117 Ų117105.9 Ų105.961%0.61356%0.556SS**Hα-helixtrans-74.5-41.2173.2-160.375.9000112.1A16 R17 H18 R23 K24A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.28Å; R17-L20 PolarHBondContact O-N 3.24Å; H18-L20 VanDerWaalsContact C-N 3.26Å; H18-L20 PolarHBondContact O-N 3.5Å; L20-R23 PolarHBondContact O-N 3.49Å; L20-K24 PolarHBondContact O-N 2.88Å
21Q82.7Confident68.4Low112 Ų112103 Ų10352%0.52355%0.545SS..Hα-helixtrans-57.8-50.8176.6-163.881.11400110.5R17 H18 R23 K24 C25R17-Q21 WeakPolarHBondContact O-CB 3.46Å; R17-Q21 PolarHBondContact O-N 3.27Å; H18-Q21 WeakPolarHBondContact O-CB 3.49Å; H18-Q21 PolarHBondContact O-N 3.3Å; H18-Q21 VanDerWaalsContact O-N 3.16Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 2.91Å; Q21-K24 WeakPolarHBondContact O-CA 3.46Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 2.86Å; Q21-C25 PolarHBondContact O-N 3.43Å; Q21-C25 PolarHBondContact O-SG 2.88Å
22L74.8Confident67.5Low100 Ų100108 Ų10852%0.52457%0.569SS.*Hα-helixtrans-59.8-41.3177.7-72.3169.9000112.2H18 K24 C25 Y26H18-L22 VanDerWaalsContact CD2-CD1 3.49Å; H18-L22 WeakPolarHBondContact CD2-CD1 3.39Å; H18-L22 PolarHBondContact O-N 2.98Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 3.43Å; L22-C25 PolarHBondContact O-N 3.25Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.03Å
23R74.5Confident66.5Low180 Ų180105 Ų10568%0.67957%0.568SS**Hα-helixtrans-63.5-33.7173.6-74.6176.1-176.1-178.81.8112.3K19 L20 Q21 N27K19-R23 WeakPolarHBondContact O-CG 3.45Å; K19-R23 PolarHBondContact O-N 3.26Å; L20-R23 PolarHBondContact O-N 3.49Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 2.91Å; R23-N27 PolarHBondContact O-N 3.09Å; R23-N27 PolarHBondContact O-ND2 3.39Å
24K77Confident65.4Low142 Ų142110.5 Ų110.562%0.61758%0.584SS**Hα-helixtrans-69-54176.4-144.4-179.2-177.5-168.30110.4L20 Q21 L22 Y26 N27 D28L20-K24 PolarHBondContact O-N 2.88Å; Q21-K24 WeakPolarHBondContact O-CA 3.46Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 2.86Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 3.43Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 PolarHBondContact O-N 3.37Å; K24-N27 WeakPolarHBondContact O-CA 2.99Å; K24-N27 PolarHBondContact O-N 3.04Å; K24-D28 VanDerWaalsContact O-CG 3.29Å; K24-D28 PolarHBondContact O-N 3.24Å
25C71.7Confident64.3Low58 Ų58111.8 Ų111.839%0.39259%0.588SS.*Hα-helixtrans-53-41.2176.2-60.60000112.8Q21 L22 N27 D28 S29Q21-C25 PolarHBondContact O-N 3.43Å; Q21-C25 PolarHBondContact O-SG 2.88Å; L22-C25 PolarHBondContact O-N 3.25Å; C25-N27 VanDerWaalsContact C-N 3.29Å; C25-N27 PolarHBondContact O-N 3.5Å; C25-D28 PolarHBondContact O-N 2.94Å; C25-S29 WeakPolarHBondContact O-CB 3.28Å; C25-S29 PolarHBondContact O-N 3.19Å; C25-S29 PolarHBondContact O-OG 3.27Å; C25-S29 VanDerWaalsContact O-OG 3.08Å
26Y64.5Low62.3Low199 Ų199117.1 Ų117.178%0.7862%0.616SS**Hα-helixtrans-66.7-26.1178.3-132.7-84000114L22 K24L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.03Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 PolarHBondContact O-N 3.37Å
27N59.7Low60.8Low116 Ų116120.2 Ų120.262%0.6262%0.621SS**Hα-helixtrans-81.6-41.9172.2-77.2-81.7000111.2R23 K24 C25 S29 A30 G31R23-N27 PolarHBondContact O-N 3.09Å; R23-N27 PolarHBondContact O-ND2 3.39Å; K24-N27 WeakPolarHBondContact O-CA 2.99Å; K24-N27 PolarHBondContact O-N 3.04Å; C25-N27 VanDerWaalsContact C-N 3.29Å; C25-N27 PolarHBondContact O-N 3.5Å; N27-S29 PolarHBondContact O-N 3.37Å; N27-A30 WeakPolarHBondContact O-CB 3.35Å; N27-A30 PolarHBondContact O-N 2.93Å; N27-G31 PolarHBondContact O-N 3.39Å
28D56.5Low58.7Low90 Ų90118.8 Ų118.848%0.48162%0.615SS.*Hα-helixtrans-62-44.4179.2-57.7-35000110.7K24 C25 A30 G31K24-D28 VanDerWaalsContact O-CG 3.29Å; K24-D28 PolarHBondContact O-N 3.24Å; C25-D28 PolarHBondContact O-N 2.94Å; D28-A30 PolarHBondContact O-N 2.93Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 VanDerWaalsContact O-N 3.15Å
29S52Low56.7Low98 Ų98124.6 Ų124.669%0.68564%0.635SS**Hα-helixtrans-63.1-25.2173-61.20000114C25 N27C25-S29 WeakPolarHBondContact O-CB 3.28Å; C25-S29 PolarHBondContact O-N 3.19Å; C25-S29 PolarHBondContact O-OG 3.27Å; C25-S29 VanDerWaalsContact O-OG 3.08Å; N27-S29 PolarHBondContact O-N 3.37Å
30A51.8Low54.5Low72 Ų72123.8 Ų123.860%0.59563%0.633SS**Hα-helixtrans-82.9-13.317700000113.5N27 D28N27-A30 WeakPolarHBondContact O-CB 3.35Å; N27-A30 PolarHBondContact O-N 2.93Å; D28-A30 PolarHBondContact O-N 2.93Å
31G44.2Very low52.6Low44 Ų44122.5 Ų122.545%0.45463%0.63SS.*Hα-helixtrans-84.4-31.3178.800000114.6N27 D28 G33N27-G31 PolarHBondContact O-N 3.39Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 VanDerWaalsContact O-N 3.15Å; G31-G33 PolarHBondContact O-N 3.41Å
32M42.9Very low50.2Low173 Ų173122.6 Ų122.685%0.85263%0.626SS**THydrogen-bonded Turntrans-80.245.3-166.8-62.3-64.9100.700114.9
33G42.4Very low48.3Very low63 Ų63123.1 Ų123.165%0.64963%0.629SS**THydrogen-bonded Turntrans-164.520.8-176.700000117.4G31G31-G33 PolarHBondContact O-N 3.41Å
34K41.7Very low46.3Very low195 Ų195120.3 Ų120.385%0.84863%0.632SS**  trans-136.852.2-177.7-68.2-175.4-179.5166.70113.8
35T38.3Very low44.1Very low134 Ų134122.3 Ų122.382%0.82264%0.643SS**  trans-73.4131.3162.530.30000111.5
36D38.4Very low42.6Very low137 Ų137127.5 Ų127.573%0.73366%0.662SS**  trans94.4158.8136.9-112.2-26.1000126R38D36-R38 PolarHBondContact O-N 3Å
37I42.6Very low41Very low137 Ų137125.6 Ų125.670%0.70367%0.665SS**  trans31.941.9160.4-38.2161.9000119.5R39I37-R39 PolarHBondContact O-N 3.2Å
38R38.2Very low39.7Very low146 Ų146127.2 Ų127.255%0.55168%0.679SS**  trans-65.4113.5151.7-151.9-165.3-52.2-173.4-0108.1D36 I236 R237D36-R38 PolarHBondContact O-N 3Å; R38-I236 WeakPolarHBondContact CD-O 3.31Å; R38-I236 WeakPolarHBondContact CG-O 3.48Å; R38-R237 HydrophobicContact CB-CG 4.42Å; R38-R237 HydrophobicContact CG-CB 4.06Å; R38-R237 HydrophobicContact CG-CG 3.89Å; R38-R237 WeakPolarHBondContact O-CD 3.23Å; R38-R237 PolarHBondContact O-NH1 3.5Å
39R36.5Very low38.4Very low177 Ų177127.6 Ų127.667%0.66869%0.689SS**  trans-168.8151.2165.4-82.5-169.7-174.1175.92.7109.2I37 R237I37-R39 PolarHBondContact O-N 3.2Å; R39-R237 CarbonylContact C-O 2.81Å; R39-R237 VanDerWaalsContact C-O 3.25Å
40H36.9Very low37.9Very low109 Ų109131.2 Ų131.251%0.50570%0.699SS.*  trans102.896.5170.6-69.5-113.2000121.3R237 R239H40-R237 CarbonylContact C-O 3.43Å; H40-R237 VanDerWaalsContact CA-O 3.24Å; H40-R237 WeakPolarHBondContact CA-O 3.49Å; H40-R237 PolarHBondContact N-O 2.88Å; H40-R237 VanDerWaalsContact O-O 3.04Å; H40-R239 PolarHBondContact CD2-NE 3.37Å; H40-R239 PolarHBondContact CE1-NE 3.07Å; H40-R239 PolarHBondContact CE1-NH2 2.87Å; H40-R239 VanDerWaalsContact CE1-NH2 3.28Å; H40-R239 PolarHBondContact ND1-NE 3.35Å; H40-R239 VanDerWaalsContact NE2-CZ 3.31Å; H40-R239 PolarHBondContact NE2-NE 3.48Å; H40-R239 VanDerWaalsContact NE2-NE 3.14Å; H40-R239 PolarHBondContact NE2-NH2 3.21Å
41V36.6Very low36.8Very low90 Ų90139 Ų13955%0.54571%0.714SS.*  trans71.1134.9157.2-169.80000114.8R237 G238 R239V41-R237 PolarHBondContact N-O 3Å; V41-R237 CarbonylContact O-C 3.49Å; V41-G238 PolarHBondContact N-O 2.99Å; V41-G238 PolarHBondContact O-N 2.93Å; V41-R239 HydrophobicContact CG2-CB 3.99Å
42R32.6Very low36.6Very low115 Ų115144.6 Ų144.643%0.43473%0.732SS.*  cis104.3123.617.6-108.1-155.4136.699.1-1116.2R239 R240R42-R239 WeakPolarHBondContact CB-O 3.34Å; R42-R239 WeakPolarHBondContact CD-O 3.45Å; R42-R239 WeakPolarHBondContact CG-O 3.23Å; R42-R240 WeakPolarHBondContact CD-O 3.44Å; R42-R240 PolarHBondContact NE-O 2.84Å
43D34.6Very low36.2Very low110 Ų110140.4 Ų140.459%0.58873%0.733SS**  trans54.5104149.8-52.5-1.7000119.6
44T33Very low35.9Very low121 Ų121145.2 Ų145.274%0.74274%0.742SS**  trans-145128.9139.5-66.50000107.6
45E31.3Very low35.7Very low184 Ų184144.8 Ų144.886%0.8674%0.74SS**  trans-100.2135.5-177.9-63.7175.8157.200109.7
46H39.3Very low35.8Very low168 Ų168148.9 Ų148.978%0.77874%0.741SS**  trans-137141.5173.1-75.4-37.7000110.8
47D31.4Very low36.1Very low158 Ų158152.4 Ų152.485%0.84574%0.744SS**  trans-73.1146.3-158.9-86.4-66.9000116.3S49D47-S49 VanDerWaalsContact C-N 3.32Å; D47-S49 PolarHBondContact O-N 3.34Å; D47-S49 VanDerWaalsContact O-N 3.12Å
48T31.8Very low36Very low151 Ų151156.5 Ų156.593%0.92675%0.752SS**  trans-89.260.1178.946.60000112.4
49S30.9Very low36Very low98 Ų98156.6 Ų156.669%0.68576%0.764SS**  trans-112.6111.7172.487.10000112D47D47-S49 VanDerWaalsContact C-N 3.32Å; D47-S49 PolarHBondContact O-N 3.34Å; D47-S49 VanDerWaalsContact O-N 3.12Å
50L41.2Very low35.8Very low173 Ų173154 Ų15491%0.90677%0.772SS**  trans175.467.6148.6-97.9172000110.1
51R28.8Very low35.8Very low236 Ų236160.3 Ų160.389%0.89179%0.792SS**  trans-121.172.5173-171.3-172.3168.5144.71.8110.9
52L39Very low35.5Very low162 Ų162159.6 Ų159.685%0.84880%0.802SS**  trans-129.6106.3174.2-69.9176000110.7
53G34Very low35.4Very low84 Ų84161.9 Ų161.987%0.86682%0.823SS**  trans-92.2123.6173.800000111.4
54I37.8Very low35.2Very low165 Ų165160.5 Ų160.585%0.84682%0.822SS**  trans-92.6119.9-178.2-61.9178.1000110.7
55K37.5Very low35.3Very low185 Ų185162 Ų16280%0.80483%0.826SS**  trans-97.896.1-171.9-178.1175.2179.7172.10111.7
56R39.4Very low35.1Very low221 Ų221159.6 Ų159.683%0.83482%0.823SS**  trans-67.1137.9174.1-71.2-171.2-82.6-158-2.4111.1
57R43.8Very low34.9Very low211 Ų211157.6 Ų157.680%0.79682%0.822SS**  trans-115.9132.6179-52.6-179.4-168.1-176.74.3108.8
58Y41.9Very low34.9Very low222 Ų222155.4 Ų155.487%0.87181%0.81SS**  trans-99.5120.6166.6-72.7-73.6000109.3
59N37.8Very low35Very low149 Ų149158.3 Ų158.380%0.79781%0.806SS**  trans-90.3112.3-177.8-69.6-34.6000110
60S33.4Very low34.9Very low121 Ų121161 Ų16185%0.84681%0.808SS**  trans-86.8118.1166.3-175.90000110.2
61R36.5Very low34.5Very low243 Ų243159.1 Ų159.192%0.91781%0.809SS**  trans-142.5105.6163.4-80.2-171.4172.9-173-1.9107.9
62G30.3Very low34.8Very low74 Ų74151.5 Ų151.576%0.76380%0.804SS**  trans-84.6173.1162.600000110.8
63N30.9Very low34.5Very low164 Ų164153 Ų15388%0.87781%0.806SS**  trans-147.8159.6154-148.711.6000110.6
64S30.4Very low34.5Very low80 Ų80157.8 Ų157.856%0.55981%0.806SS**  trans-82.6163.8-17955.50000112.9
65N33.8Very low34.4Very low154 Ų154159 Ų15982%0.82481%0.805SS**  -168.6161.7107.5-89.1-8.3000112.4
66V27.9Very low34.2Very low133 Ų133160.7 Ų160.781%0.80681%0.806SS**  trans-108.5136.4-171.4174.60000110
67V35.2Very low34.4Very low125 Ų125157.1 Ų157.176%0.75880%0.802SS**  trans-134.5132.7159.2-177.80000108.3Y69V67-Y69 HydrophobicContact CG1-CD2 3.79Å; V67-Y69 HydrophobicContact CG1-CE2 3.7Å
68N30.3Very low34.1Very low112 Ų112157.4 Ų157.460%0.59980%0.804SS**  trans-105.7131.8175.7172.524000108.9H70N68-H70 PolarHBondContact OD1-CE1 3.45Å; N68-H70 PolarHBondContact OD1-ND1 3.14Å
69Y34.5Very low33.8Very low213 Ų213155.4 Ų155.484%0.83580%0.799SS**  trans-130.6129.4163.7-89.7-80.1000110V67V67-Y69 HydrophobicContact CG1-CD2 3.79Å; V67-Y69 HydrophobicContact CG1-CE2 3.7Å
70H28.2Very low33.4Very low155 Ų155153.1 Ų153.172%0.71880%0.795SS**  trans-111.7170.6173.9-85.844.4000109.6N68N68-H70 PolarHBondContact OD1-CE1 3.45Å; N68-H70 PolarHBondContact OD1-ND1 3.14Å
71S33.4Very low33.4Very low133 Ų133153 Ų15393%0.9379%0.794SS**  trans73.7128.5171.4-159.70000116.3
72G35.5Very low33.2Very low76 Ų76147.7 Ų147.778%0.78479%0.791SS**  trans172.634.3-17600000114.3Q74G72-Q74 PolarHBondContact O-N 3.02Å
73E31.6Very low33.1Very low193 Ų193146.9 Ų146.990%0.90278%0.783SS**  trans-77.8104175.6-71.2-160.6143.600111.4
74Q35.1Very low33.2Very low184 Ų184150.7 Ų150.786%0.8679%0.787SS**  trans-147.595.2163.6-115.1159.837.500114.6G72G72-Q74 PolarHBondContact O-N 3.02Å
75K35.3Very low32.8Very low191 Ų191150.2 Ų150.283%0.8379%0.794SS**  trans31.5103.1142.2-62.8176.9-177.9174.80117.2I77K75-I77 PolarHBondContact O-N 2.91Å
76R33.8Very low32.7Very low220 Ų220153.6 Ų153.683%0.8380%0.797SS**  trans-41.897.9158.5174.7-176.561.6-159-5.1112.4
77I42.1Very low33.3Very low146 Ų146152.7 Ų152.775%0.74979%0.794SS**  trans-74.4125.6172.2-61.9174000108.9K75 K79K75-I77 PolarHBondContact O-N 2.91Å; I77-K79 HydrophobicContact CG2-CB 4.49Å; I77-K79 HydrophobicContact CG2-CG 4.25Å
78R38.5Very low32.9Very low218 Ų218151.7 Ų151.782%0.82379%0.792SS**  trans-114.2104.1162.3-78.8-176.5171.9177.7-4108.3
79K35.6Very low33.3Very low180 Ų180150.8 Ų150.878%0.78380%0.8SS**  trans-142.7115163.1-66.5-173.3175.6-173.20105.5I77I77-K79 HydrophobicContact CG2-CB 4.49Å; I77-K79 HydrophobicContact CG2-CG 4.25Å
80S29.1Very low33.2Very low101 Ų101148.4 Ų148.471%0.70680%0.797SS**  71.1106.555.378.50000112.8
81S32.9Very low33.3Very low117 Ų117145.5 Ų145.582%0.81879%0.794SS**  trans44.1133.2150.3-49.30000119
82P33.5Very low33.5Very low133 Ų133147.8 Ų147.886%0.86479%0.79SS**  -152.9175.765.841.2-22.6000117.4
83G26.7Very low33.1Very low57 Ų57151.5 Ų151.559%0.58879%0.791SS**  trans127.4111145.300000117.8
84Y33.1Very low33Very low244 Ų244146.3 Ų146.396%0.95778%0.776SS**  trans52.5140.9151.5-56.8-87000120.7
85G23.3Very low32.9Very low69 Ų69144.4 Ų144.471%0.71177%0.772SS**  cis164.2117.6-4.200000112.6
86Y31.9Very low32.9Very low226 Ų226142.6 Ų142.689%0.88677%0.766SS**  trans-57.6167172.3-93.2-105.9000113.1
87P40.6Very low32.7Very low114 Ų114139.3 Ų139.374%0.7476%0.76SS**  cis-150.2168.540.443.1-22000121.7
88S26.3Very low32.4Very low104 Ų104143.6 Ų143.673%0.72777%0.767SS**  trans41.8128.5143.4-56.40000124
89A38.5Very low32.1Very low92 Ų92139.1 Ų139.176%0.7676%0.76SS**  -138.7153.1119.100000109.9
90E32.4Very low32Very low164 Ų164137.9 Ų137.977%0.76676%0.761SS**  trans-37.6121.7179.2-80.857.5-143.800114.1
91S30.5Very low32Very low94 Ų94136.4 Ų136.466%0.65776%0.762SS**  73.49671.181.40000115.3
92H36.3Very low32.1Very low181 Ų181137.7 Ų137.784%0.83876%0.758SS**  trans-134.8117.6156.5-95.3-84.6000109
93N27.9Very low31.9Very low154 Ų154137.3 Ų137.382%0.82475%0.749SS**  trans-98108171.9-74.9-4.3000109.2
94S30.5Very low32Very low84 Ų84143.9 Ų143.959%0.58776%0.761SS**  trans173.6123.6167.449.70000106.7
95D31.8Very low31.9Very low143 Ų143138.6 Ų138.677%0.76575%0.754SS**  cis-131.714210-60.2-57.5000111.6
96E35.2Very low32.4Very low153 Ų153141.5 Ų141.572%0.71576%0.758SS**  trans-66.5133170.3-75.481.5175.500113.3W98E96-W98 PolarHBondContact O-N 2.95Å
97E30.5Very low32.6Very low151 Ų151136.8 Ų136.871%0.70676%0.755SS**  trans18.492.6139.9-173.4163.4-161.400117.9N99E97-N99 HydrophobicContact CG-CB 3.91Å; E97-N99 PolarHBondContact O-N 3.22Å; E97-N99 PolarHBondContact OE1-ND2 3.4Å
98W35.5Very low32.2Very low236 Ų236142.3 Ų142.389%0.89476%0.761SS**  trans-71.467.4168.1-76.589.4000112.8E96E96-W98 PolarHBondContact O-N 2.95Å
99N32.8Very low32.5Very low125 Ų125146 Ų14667%0.66876%0.764SS**  trans-129.437.6174.6-81.9-46.3000114E97E97-N99 HydrophobicContact CG-CB 3.91Å; E97-N99 PolarHBondContact O-N 3.22Å; E97-N99 PolarHBondContact OE1-ND2 3.4Å
100L33.7Very low31.9Very low153 Ų153148.1 Ų148.180%0.80177%0.767SS**  trans-124.5135.7158.7-66.793.9000110.1
101G27.5Very low32Very low70 Ų70147 Ų14772%0.72277%0.772SS**  cis131.919.83.500000115
102I34.8Very low31.9Very low145 Ų145147.3 Ų147.374%0.74477%0.774SS**  trans-106.2125.2180-67.677.2000110.7
103N29.4Very low31.7Very low125 Ų125147.4 Ų147.467%0.66878%0.779SS**  trans-84140.4170.5-84.4-86.9000111.5T105N103-T105 PolarHBondContact O-N 3.05Å
104K30.2Very low31.8Very low194 Ų194144.7 Ų144.784%0.84377%0.773SS**  trans33.688.3140.2-55.2176.9-174175.70117.1
105T31.5Very low31.8Very low133 Ų133152 Ų15282%0.81679%0.788SS**  trans-107.5134.4156.842.70000111.5N103N103-T105 PolarHBondContact O-N 3.05Å
106V32.8Very low31.6Very low131 Ų131152.8 Ų152.879%0.79479%0.792SS**PPolyproline II helixtrans-70.6144.1-171172.10000111.8
107P36.8Very low31.6Very low126 Ų126151 Ų15182%0.81879%0.793SS**PPolyproline II helixtrans-64.3139.8-172.424.3-36000114
108R32Very low31.8Very low231 Ų231151.8 Ų151.887%0.87280%0.801SS**PPolyproline II helixtrans-99.8124.9177.3-94.2173.8135.686.2-8.2112
109K31.3Very low31.8Very low182 Ų182148.5 Ų148.579%0.79180%0.8SS**  trans51.595.3146-63.4-167.3173.2-167.80118.6
110V27.4Very low31.5Very low135 Ų135147.9 Ų147.982%0.81881%0.806SS**  1.9119.8125.3-168.60000115.9
111T32.7Very low31.5Very low141 Ų141147.7 Ų147.787%0.86581%0.811SS**  trans-125.7112.6147.335.50000108.8
112S28.9Very low31.3Very low100 Ų100155.8 Ų155.870%0.69982%0.82SS**  trans-81.3120.8178.7510000111.3
113L33.4Very low31.4Very low183 Ų183153.1 Ų153.196%0.95881%0.812SS**  trans-111.1101159-82.3172.9000109.3
114S29.2Very low31.4Very low97 Ų97154.9 Ų154.968%0.67882%0.816SS**  trans-88.7134.1178.556.40000111.7
115R30.2Very low31.3Very low239 Ų239149.3 Ų149.390%0.90281%0.814SS**  -172.1123.5129.3-101.1160.6-145.1-135.54.9111
116N27.1Very low31.3Very low159 Ų159153.5 Ų153.585%0.8582%0.816SS**  trans-85.1-169.7162.3-61.6-35.5000108.6
117P36.1Very low31.1Very low114 Ų114150 Ų15074%0.7481%0.807SS**  -129.3159.1-77.738.5-24.3000112.3
118L35.4Very low30.8Very low168 Ų168151.9 Ų151.988%0.8881%0.81SS**  trans-139.4134.1169.2-72.6174.4000110.7
119L34.7Very low30.7Very low168 Ų168150.8 Ų150.888%0.8881%0.806SS**  trans61.5110.4175.6-48.3176.2000113.9
120S26.8Very low30.8Very low111 Ų111150.5 Ų150.578%0.77681%0.805SS**  cis7171.720.9-157.50000116.3
121T33Very low31.1Very low149 Ų149153.3 Ų153.391%0.91481%0.809SS**  trans-162.4169.9136.55.90000111.4
122R24.4Very low31Very low240 Ų240150.2 Ų150.291%0.90681%0.805SS**  trans-104.8-173.7-164.8-126.7-168.2160.9168.1-7.1112
123P36Very low31.1Very low90 Ų90156.5 Ų156.558%0.58482%0.815SS**  trans-119.6-158.5-133.136.8-14.8000114.2
124H29.6Very low31.2Very low161 Ų161153.4 Ų153.475%0.74580%0.799SS**  trans89.774173.6-51.4-68.5000117.2
125G27.7Very low31.6Very low78 Ų78154.7 Ų154.780%0.80481%0.806SS**  trans-117.986.9155.500000110.9G127G125-G127 PolarHBondContact O-N 3.34Å; G125-G127 VanDerWaalsContact O-N 3.09Å
126Y30.8Very low31.6Very low220 Ų220149.3 Ų149.386%0.86379%0.794SS**  trans-71.5101.3174.1-88.6-81.5000110
127G29.5Very low31.9Very low58 Ų58151.3 Ų151.360%0.59880%0.799SS**  trans-123.653.9-172.800000114.1G125 R129G125-G127 PolarHBondContact O-N 3.34Å; G125-G127 VanDerWaalsContact O-N 3.09Å; G127-R129 PolarHBondContact O-N 2.95Å
128N30.1Very low31.7Very low166 Ų166150.1 Ų150.189%0.88880%0.798SS**  trans-59.2100.8174.8-83.58.3000110.9
129R31.4Very low31.6Very low207 Ų207146.5 Ų146.578%0.78179%0.793SS**  trans-140.9143169.6-78.8-167.7-79-149.6-3.5111G127G127-R129 PolarHBondContact O-N 2.95Å
130F33.6Very low31.6Very low177 Ų177144.9 Ų144.978%0.77679%0.79SS**  trans6986.9173.8-56.2-66.2000117.8
131H33.3Very low32Very low193 Ų193144.6 Ų144.689%0.89479%0.785SS**  7.2120.3127.6-50.6-79.2000117.1
132G30.5Very low32.2Very low76 Ų76143.1 Ų143.178%0.78477%0.771SS**  trans-159.160.2171.400000110.7
133Y31.5Very low32.7Very low232 Ų232140.3 Ų140.391%0.9177%0.766SS**  trans-111.5106.9179.3-121.4-89.4000109.9P135Y133-P135 WeakPolarHBondContact O-CD 3.24Å
134D34.5Very low32.6Very low119 Ų119144.9 Ų144.964%0.63678%0.777SS**  trans-80.8116.9178.9179.25.7000110.6N136D134-N136 PolarHBondContact O-N 3.42Å; D134-N136 PolarHBondContact OD1-ND2 2.82Å
135P37Very low33Very low124 Ų124145.9 Ų145.981%0.80578%0.779SS**THydrogen-bonded Turntrans-84.439.5-171.336.4-37.7000114.1Y133Y133-P135 WeakPolarHBondContact O-CD 3.24Å
136N31.8Very low33.4Very low125 Ų125149.2 Ų149.267%0.66878%0.778SS**THydrogen-bonded Turntrans-114.3-1.5-172-78.7-68.4000116.9D134 A138D134-N136 PolarHBondContact O-N 3.42Å; D134-N136 PolarHBondContact OD1-ND2 2.82Å; N136-A138 PolarHBondContact O-N 2.95Å; N136-A138 VanDerWaalsContact O-N 3.08Å
137Q32.8Very low33.6Very low202 Ų202150.2 Ų150.294%0.94478%0.782SS**  trans-80.892.4173.4-70.8-14140.100112.5
138A30.5Very low34.1Very low88 Ų88156.7 Ų156.773%0.72779%0.794SS**  trans-72.4176.2174.400000113.7N136N136-A138 PolarHBondContact O-N 2.95Å; N136-A138 VanDerWaalsContact O-N 3.08Å
139A35.2Very low34.7Very low92 Ų92153.3 Ų153.376%0.7678%0.776SS**  trans70.248.6159.100000119.3
140V34.1Very low35.2Very low135 Ų135148.1 Ų148.182%0.81876%0.763SS**  trans-112.694.8147-176.30000110.1N142V140-N142 PolarHBondContact O-N 2.96Å
141P34.6Very low36Very low104 Ų104145.5 Ų145.568%0.67576%0.761SS**  trans-7094179.4-19.233.4000111.5K143P141-K143 WeakPolarHBondContact O-CG 3.32Å; P141-K143 PolarHBondContact O-N 3.19Å
142N36.5Very low36.4Very low118 Ų118143.1 Ų143.163%0.63176%0.755SS**  trans-77.387.2-176.9-167.6-14.1000111.5V140 F144V140-N142 PolarHBondContact O-N 2.96Å; N142-F144 PolarHBondContact O-N 2.7Å
143K35.5Very low36.9Very low181 Ų181144.5 Ų144.579%0.78775%0.745SS**THydrogen-bonded Turntrans-70.114.7-168.3-65.7-169.2178.3-176.10116.8P141P141-K143 WeakPolarHBondContact O-CG 3.32Å; P141-K143 PolarHBondContact O-N 3.19Å
144F35.1Very low37.5Very low187 Ų187138.1 Ų138.182%0.8274%0.74SS**THydrogen-bonded Turntrans-123.622.4-178.2-66.9-73.2000114.4N142 N146N142-F144 PolarHBondContact O-N 2.7Å; F144-N146 PolarHBondContact O-N 2.81Å
145K36.7Very low38.1Very low181 Ų181139.9 Ų139.979%0.78775%0.75SS**SBendtrans-72.4119.3163.7-74.7-168.8175.5-176.50109.8
146N36.6Very low39Very low148 Ų148136.8 Ų136.879%0.79172%0.724SS**  trans-41.2134.6-177.6-57.9-79.1000114.1F144 K148F144-N146 PolarHBondContact O-N 2.81Å; N146-K148 PolarHBondContact O-N 3.36Å
147Y35.9Very low39.8Very low242 Ų242135.1 Ų135.195%0.94972%0.715SS**  trans-69.770.5162.8-69.8-86000110.6L149Y147-L149 PolarHBondContact O-N 2.66Å
148K38.8Very low41Very low193 Ų193131.1 Ų131.184%0.83970%0.698SS**  trans-67.3109.4149.7-81.7-167172.3-171.70105.8N146 D150N146-K148 PolarHBondContact O-N 3.36Å; K148-D150 PolarHBondContact O-N 3.37Å
149L43Very low42.8Very low96 Ų96133.4 Ų133.450%0.50370%0.698SS.*  trans-63.8104.6170.3-170.579.8000107Y147 V151Y147-L149 PolarHBondContact O-N 2.66Å; L149-V151 PolarHBondContact O-N 3.07Å
150D41.7Very low44.8Very low97 Ų97132.6 Ų132.652%0.51968%0.681SS.*  trans-75101.4179.1-158.4-28.7000108.8K148 N152 N153K148-D150 PolarHBondContact O-N 3.37Å; D150-N152 PolarHBondContact O-N 3.15Å; D150-N152 VanDerWaalsContact O-N 3.07Å; D150-N152 PolarHBondContact OD1-N 3.05Å; D150-N152 PolarHBondContact OD1-ND2 3.24Å; D150-N153 PolarHBondContact O-N 3.16Å
151V50.5Low46.8Very low122 Ų122133.9 Ų133.974%0.73968%0.678SS**THydrogen-bonded Turntrans-63.1-16-171.7-178.20000111.8L149 N153L149-V151 PolarHBondContact O-N 3.07Å; V151-N153 VanDerWaalsContact C-N 3.31Å; V151-N153 PolarHBondContact O-N 3.24Å
152N42.2Very low49Very low143 Ų143136.1 Ų136.177%0.76568%0.679SS**THydrogen-bonded Turntrans-78-8.6-178.4-56.9-63.1000114.4D150 A154D150-N152 PolarHBondContact O-N 3.15Å; D150-N152 VanDerWaalsContact O-N 3.07Å; D150-N152 PolarHBondContact OD1-N 3.05Å; D150-N152 PolarHBondContact OD1-ND2 3.24Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.03Å
153N40.8Very low51Low105 Ų105132.7 Ų132.756%0.56166%0.661SS**  trans-77.879173.6-98.2-45.9000111.4D150 V151 N155 Q156D150-N153 PolarHBondContact O-N 3.16Å; V151-N153 VanDerWaalsContact C-N 3.31Å; V151-N153 PolarHBondContact O-N 3.24Å; N153-N155 PolarHBondContact O-N 2.95Å; N153-Q156 PolarHBondContact O-N 2.91Å
154A43.6Very low53.1Low98 Ų98126.8 Ų126.881%0.8164%0.637SS**THydrogen-bonded Turntrans-61.9-8.3177.500000114.8N152N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.03Å
155N46.3Very low55.3Low157 Ų157124.3 Ų124.384%0.8463%0.63SS**THydrogen-bonded Turntrans-97.427.1175.6-66.7-22.3000113.1N153 N157N153-N155 PolarHBondContact O-N 2.95Å; N155-N157 PolarHBondContact O-N 3.28Å; N155-N157 VanDerWaalsContact O-N 3.16Å
156Q55.8Low57.6Low58 Ų58121 Ų12127%0.27162%0.621SS.*  trans-65113.6169.3-81.5-17339.200109.6N153 M158 L163N153-Q156 PolarHBondContact O-N 2.91Å; Q156-M158 PolarHBondContact O-N 3.4Å; Q156-M158 VanDerWaalsContact O-N 3.08Å; Q156-L163 HydrophobicContact CB-CD2 3.9Å; Q156-L163 HydrophobicContact CG-CD2 4.08Å
157N50Low59.8Low90 Ų90119.3 Ų119.348%0.48160%0.604SS.*  trans-65.8112.2-177-1731.6000110.9N155 D159 N160N155-N157 PolarHBondContact O-N 3.28Å; N155-N157 VanDerWaalsContact O-N 3.16Å; N157-D159 PolarHBondContact ND2-OD2 3.46Å; N157-D159 PolarHBondContact O-N 3.07Å; N157-D159 VanDerWaalsContact OD1-CB 3.32Å; N157-D159 WeakPolarHBondContact OD1-CB 3.39Å; N157-D159 PolarHBondContact OD1-N 3.07Å; N157-D159 PolarHBondContact OD1-OD2 2.93Å; N157-N160 PolarHBondContact O-N 3.02Å
158M57.1Low62Low118 Ų118115.4 Ų115.458%0.58159%0.589SS**THydrogen-bonded Turntrans-71.1-14.3-179.7-60.1-66.1-86.300113.1Q156 N160 L164Q156-M158 PolarHBondContact O-N 3.4Å; Q156-M158 VanDerWaalsContact O-N 3.08Å; M158-N160 PolarHBondContact O-N 3.23Å; M158-L164 HydrophobicContact CE-CD1 3.69Å
159D69.7Low64.1Low136 Ų136108.5 Ų108.573%0.72757%0.565SS**THydrogen-bonded Turntrans-63.4-20.1171.6-52.6-27.2000112.2N157 E161N157-D159 PolarHBondContact ND2-OD2 3.46Å; N157-D159 PolarHBondContact O-N 3.07Å; N157-D159 VanDerWaalsContact OD1-CB 3.32Å; N157-D159 WeakPolarHBondContact OD1-CB 3.39Å; N157-D159 PolarHBondContact OD1-N 3.07Å; N157-D159 PolarHBondContact OD1-OD2 2.93Å; D159-E161 PolarHBondContact O-N 2.89Å
160N76.3Confident66.1Low75 Ų75107.9 Ų107.940%0.40156%0.559SS.*  trans-83.293.7176-174.8-3.4000110.8N157 M158 Q162 L163 L164N157-N160 PolarHBondContact O-N 3.02Å; M158-N160 PolarHBondContact O-N 3.23Å; N160-Q162 PolarHBondContact O-N 3.15Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.43Å; N160-Q162 PolarHBondContact OD1-N 3.24Å; N160-Q162 VanDerWaalsContact OD1-N 3.13Å; N160-L163 HydrophobicContact CB-CB 4.07Å; N160-L163 WeakPolarHBondContact O-CA 3.42Å; N160-L163 WeakPolarHBondContact O-CB 3.5Å; N160-L163 PolarHBondContact O-N 2.71Å; N160-L164 PolarHBondContact O-N 3.14Å
161E76.2Confident68Low163 Ų163107.4 Ų107.476%0.76256%0.555SS**Hα-helixtrans-49.3-33176.7-61.6-174.6158.700113.8D159 L164 M165D159-E161 PolarHBondContact O-N 2.89Å; E161-L164 PolarHBondContact O-N 2.98Å; E161-M165 VanDerWaalsContact O-CB 3.26Å; E161-M165 WeakPolarHBondContact O-CB 3.45Å; E161-M165 PolarHBondContact O-N 2.95Å
162Q79.9Confident69.6Low150 Ų150108.9 Ų108.970%0.70155%0.548SS*.Hα-helixtrans-68.7-37178.4-56.7-175.10.600112N160 L166N160-Q162 PolarHBondContact O-N 3.15Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.43Å; N160-Q162 PolarHBondContact OD1-N 3.24Å; N160-Q162 VanDerWaalsContact OD1-N 3.13Å; Q162-L166 WeakPolarHBondContact O-CB 3.44Å; Q162-L166 PolarHBondContact O-N 2.7Å
163L78.5Confident71.4Confident46 Ų46107.7 Ų107.724%0.24154%0.538CS..Hα-helixtrans-73.4-39.8177.3-170.960.6000110.6Q156 N160 L166 Y167Q156-L163 HydrophobicContact CB-CD2 3.9Å; Q156-L163 HydrophobicContact CG-CD2 4.08Å; N160-L163 HydrophobicContact CB-CB 4.07Å; N160-L163 WeakPolarHBondContact O-CA 3.42Å; N160-L163 WeakPolarHBondContact O-CB 3.5Å; N160-L163 PolarHBondContact O-N 2.71Å; L163-L166 PolarHBondContact O-N 2.85Å; L163-Y167 WeakPolarHBondContact O-CB 3.26Å; L163-Y167 PolarHBondContact O-N 2.99Å
164L80.5Confident73Confident57 Ų57107.3 Ų107.330%0.29853%0.533SS..Hα-helixtrans-62.8-41.4173.2-175.360.4000111.9M158 N160 E161 Y167 Y168M158-L164 HydrophobicContact CE-CD1 3.69Å; N160-L164 PolarHBondContact O-N 3.14Å; E161-L164 PolarHBondContact O-N 2.98Å; L164-Y167 PolarHBondContact O-N 3.02Å; L164-Y168 HydrophobicContact CD1-CD2 4.06Å; L164-Y168 HydrophobicContact CD1-CE2 4.17Å; L164-Y168 HydrophobicContact CG-CD2 4.23Å; L164-Y168 WeakPolarHBondContact O-CB 3.49Å; L164-Y168 PolarHBondContact O-N 3.02Å
165M81.5Confident74.5Confident135 Ų135109.7 Ų109.767%0.66552%0.522SS*.Hα-helixtrans-64.4-42.5174.6-171.364.465.300111.9E161 Y168 S169E161-M165 VanDerWaalsContact O-CB 3.26Å; E161-M165 WeakPolarHBondContact O-CB 3.45Å; E161-M165 PolarHBondContact O-N 2.95Å; M165-Y168 PolarHBondContact O-N 3.24Å; M165-S169 WeakPolarHBondContact O-CB 3.39Å; M165-S169 PolarHBondContact O-N 3.26Å
166L84.5Confident75.6Confident113 Ų113108.7 Ų108.759%0.59251%0.507SS*.Hα-helixtrans-60.2-47.2172.8-93.5159000111.5Q162 L163 S169 H170Q162-L166 WeakPolarHBondContact O-CB 3.44Å; Q162-L166 PolarHBondContact O-N 2.7Å; L163-L166 PolarHBondContact O-N 2.85Å; L166-S169 PolarHBondContact O-N 3.2Å; L166-S169 PolarHBondContact O-OG 2.95Å; L166-H170 PolarHBondContact O-N 2.99Å
167Y83.3Confident76.3Confident112 Ų112115.5 Ų115.544%0.43953%0.53SS..Hα-helixtrans-60.4-47.3176.9179.6-101.1000112.1L163 L164 S169 H170 M171L163-Y167 WeakPolarHBondContact O-CB 3.26Å; L163-Y167 PolarHBondContact O-N 2.99Å; L164-Y167 PolarHBondContact O-N 3.02Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-S169 PolarHBondContact O-N 3.34Å; Y167-H170 PolarHBondContact O-N 3.13Å; Y167-M171 HydrophobicContact CD1-CG 4.22Å; Y167-M171 HydrophobicContact CE1-CG 3.78Å; Y167-M171 HydrophobicContact CE2-CG 4.12Å; Y167-M171 HydrophobicContact CE2-SD 4.44Å; Y167-M171 WeakPolarHBondContact O-CB 3.5Å; Y167-M171 WeakPolarHBondContact O-CG 3.32Å; Y167-M171 PolarHBondContact O-N 3.08Å
168Y81.4Confident76.9Confident159 Ų159115 Ų11562%0.62453%0.531SS*.Hα-helixtrans-58.8-43.7173.9-102.8-80.2000112.1L164 M165 H170 M171 Y172L164-Y168 HydrophobicContact CD1-CD2 4.06Å; L164-Y168 HydrophobicContact CD1-CE2 4.17Å; L164-Y168 HydrophobicContact CG-CD2 4.23Å; L164-Y168 WeakPolarHBondContact O-CB 3.49Å; L164-Y168 PolarHBondContact O-N 3.02Å; M165-Y168 PolarHBondContact O-N 3.24Å; Y168-H170 VanDerWaalsContact C-N 3.31Å; Y168-H170 PolarHBondContact O-N 3.04Å; Y168-M171 PolarHBondContact O-N 2.9Å; Y168-Y172 VanDerWaalsContact O-CB 3.32Å; Y168-Y172 WeakPolarHBondContact O-CB 3.38Å; Y168-Y172 PolarHBondContact O-N 3.31Å
169S82.8Confident76.9Confident49 Ų49115.8 Ų115.834%0.34353%0.528SS..Hα-helixtrans-63.3-36.8177.480.70000112.3M165 L166 Y167 Q173M165-S169 WeakPolarHBondContact O-CB 3.39Å; M165-S169 PolarHBondContact O-N 3.26Å; L166-S169 PolarHBondContact O-N 3.2Å; L166-S169 PolarHBondContact O-OG 2.95Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-S169 PolarHBondContact O-N 3.34Å; S169-Q173 WeakPolarHBondContact O-CB 3.48Å; S169-Q173 VanDerWaalsContact O-CG 3.28Å; S169-Q173 WeakPolarHBondContact O-CG 3.29Å; S169-Q173 PolarHBondContact O-N 2.89Å
170H85.2Confident76.1Confident83 Ų83113.1 Ų113.138%0.38452%0.517SS..Hα-helixtrans-70.2-47.7177-172.266.1000111.7L166 Y167 Y168 Y172 Q173 Q174L166-H170 PolarHBondContact O-N 2.99Å; Y167-H170 PolarHBondContact O-N 3.13Å; Y168-H170 VanDerWaalsContact C-N 3.31Å; Y168-H170 PolarHBondContact O-N 3.04Å; H170-Y172 VanDerWaalsContact C-N 3.28Å; H170-Y172 PolarHBondContact O-N 3.09Å; H170-Q173 PolarHBondContact O-N 3.12Å; H170-Q174 PolarHBondContact NE2-NE2 3.06Å; H170-Q174 PolarHBondContact O-N 3.02Å
171M82.6Confident74.9Confident86 Ų86112 Ų11242%0.42452%0.519SS..Hα-helixtrans-56.7-42.2174.4-75.8-65.4-6800111.6Y167 Y168 Q174 Y175Y167-M171 HydrophobicContact CD1-CG 4.22Å; Y167-M171 HydrophobicContact CE1-CG 3.78Å; Y167-M171 HydrophobicContact CE2-CG 4.12Å; Y167-M171 HydrophobicContact CE2-SD 4.44Å; Y167-M171 WeakPolarHBondContact O-CB 3.5Å; Y167-M171 WeakPolarHBondContact O-CG 3.32Å; Y167-M171 PolarHBondContact O-N 3.08Å; Y168-M171 PolarHBondContact O-N 2.9Å; M171-Q174 PolarHBondContact O-N 3.32Å; M171-Y175 WeakPolarHBondContact O-CB 3.28Å; M171-Y175 PolarHBondContact O-N 2.86Å
172Y84.1Confident73.9Confident153 Ų153107.8 Ų107.860%0.650%0.504SS*.Hα-helixtrans-66.5-41.6177.8-157.4-97.1000112.2Y168 H170 Y175 Y176Y168-Y172 VanDerWaalsContact O-CB 3.32Å; Y168-Y172 WeakPolarHBondContact O-CB 3.38Å; Y168-Y172 PolarHBondContact O-N 3.31Å; H170-Y172 VanDerWaalsContact C-N 3.28Å; H170-Y172 PolarHBondContact O-N 3.09Å; Y172-Y175 PolarHBondContact O-N 3.32Å; Y172-Y176 HydrophobicContact CD1-CD2 4.01Å; Y172-Y176 HydrophobicContact CD1-CE2 4.1Å; Y172-Y176 AromaticContact CE1-CD2 3.8Å; Y172-Y176 HydrophobicContact CE1-CD2 3.8Å; Y172-Y176 AromaticContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE1-CE2 3.42Å; Y172-Y176 VanDerWaalsContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE2-CE2 4.44Å; Y172-Y176 AromaticContact CZ-CE2 3.63Å; Y172-Y176 PolarHBondContact O-N 3.01Å
173Q79.2Confident72.2Confident119 Ų119103.2 Ų103.256%0.55649%0.492SS*.Hα-helixtrans-66.4-39174.3-74.217726.600112.9S169 H170 R177S169-Q173 WeakPolarHBondContact O-CB 3.48Å; S169-Q173 VanDerWaalsContact O-CG 3.28Å; S169-Q173 WeakPolarHBondContact O-CG 3.29Å; S169-Q173 PolarHBondContact O-N 2.89Å; H170-Q173 PolarHBondContact O-N 3.12Å; Q173-R177 WeakPolarHBondContact O-CG 3.43Å; Q173-R177 PolarHBondContact O-N 2.96Å; Q173-R177 VanDerWaalsContact O-N 3.1Å
174Q74.4Confident70.8Confident96 Ų96106.4 Ų106.445%0.44951%0.509SS..Hα-helixtrans-63.8-47.8173.3-76.5-166.9-40.600110.8H170 M171 Y176 R177 T178H170-Q174 PolarHBondContact NE2-NE2 3.06Å; H170-Q174 PolarHBondContact O-N 3.02Å; M171-Q174 PolarHBondContact O-N 3.32Å; Q174-Y176 VanDerWaalsContact C-N 3.33Å; Q174-Y176 PolarHBondContact O-N 3.43Å; Q174-R177 PolarHBondContact O-N 3.41Å; Q174-R177 VanDerWaalsContact O-N 3.09Å; Q174-T178 PolarHBondContact O-N 3.04Å; Q174-T178 PolarHBondContact O-OG1 3.42Å; Q174-T178 VanDerWaalsContact O-OG1 3.09Å
175Y75.8Confident69.3Low149 Ų149107.4 Ų107.458%0.58452%0.52SS*.Hα-helixtrans-57.2-45.2179.6-164.1-91.4000111.6M171 Y172 T178 Y179M171-Y175 WeakPolarHBondContact O-CB 3.28Å; M171-Y175 PolarHBondContact O-N 2.86Å; Y172-Y175 PolarHBondContact O-N 3.32Å; Y175-T178 WeakPolarHBondContact CA-OG1 3.39Å; Y175-T178 PolarHBondContact O-N 3.37Å; Y175-T178 PolarHBondContact O-OG1 2.95Å; Y175-Y179 HydrophobicContact CD1-CD2 4.36Å; Y175-Y179 AromaticContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CE2 4.11Å; Y175-Y179 HydrophobicContact CE1-CG 4.37Å; Y175-Y179 AromaticContact CZ-CD2 3.87Å; Y175-Y179 VanDerWaalsContact O-CB 3.29Å; Y175-Y179 WeakPolarHBondContact O-CB 3.4Å; Y175-Y179 PolarHBondContact O-N 3.06Å
176Y69.8Low67.6Low135 Ų135107.6 Ų107.653%0.52952%0.523SS..Hα-helixtrans-62.6-43.5174.9-96.1-93.5000112.9Y172 Q174 T178 Y179 T180Y172-Y176 HydrophobicContact CD1-CD2 4.01Å; Y172-Y176 HydrophobicContact CD1-CE2 4.1Å; Y172-Y176 AromaticContact CE1-CD2 3.8Å; Y172-Y176 HydrophobicContact CE1-CD2 3.8Å; Y172-Y176 AromaticContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE1-CE2 3.42Å; Y172-Y176 VanDerWaalsContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE2-CE2 4.44Å; Y172-Y176 AromaticContact CZ-CE2 3.63Å; Y172-Y176 PolarHBondContact O-N 3.01Å; Q174-Y176 VanDerWaalsContact C-N 3.33Å; Q174-Y176 PolarHBondContact O-N 3.43Å; Y176-T178 PolarHBondContact O-N 2.93Å; Y176-Y179 PolarHBondContact O-N 3.48Å; Y176-T180 PolarHBondContact O-N 3.02Å; Y176-T180 PolarHBondContact O-OG1 3.43Å
177R69.5Low65.4Low201 Ų201105.9 Ų105.976%0.75852%0.521SS*.Hα-helixtrans-60.5-44.1175.6-76.1178.9178.5-108.61112Q173 Q174 A181Q173-R177 WeakPolarHBondContact O-CG 3.43Å; Q173-R177 PolarHBondContact O-N 2.96Å; Q173-R177 VanDerWaalsContact O-N 3.1Å; Q174-R177 PolarHBondContact O-N 3.41Å; Q174-R177 VanDerWaalsContact O-N 3.09Å; R177-A181 WeakPolarHBondContact O-CB 3.46Å; R177-A181 PolarHBondContact O-N 3.22Å; R177-A181 VanDerWaalsContact O-N 3.11Å
178T63.3Low63.2Low79 Ų79106.8 Ų106.849%0.48553%0.533SS..Hα-helixtrans-67.4-42.4176.647.50000112.2Q174 Y175 Y176 T180 A181 T182Q174-T178 PolarHBondContact O-N 3.04Å; Q174-T178 PolarHBondContact O-OG1 3.42Å; Q174-T178 VanDerWaalsContact O-OG1 3.09Å; Y175-T178 WeakPolarHBondContact CA-OG1 3.39Å; Y175-T178 PolarHBondContact O-N 3.37Å; Y175-T178 PolarHBondContact O-OG1 2.95Å; Y176-T178 PolarHBondContact O-N 2.93Å; T178-T180 PolarHBondContact O-N 2.89Å; T178-A181 PolarHBondContact O-N 2.87Å; T178-T182 PolarHBondContact O-N 3.04Å; T178-T182 PolarHBondContact O-OG1 3.4Å; T178-T182 VanDerWaalsContact O-OG1 3.07Å
179Y55.6Low60.8Low135 Ų135108.6 Ų108.653%0.52954%0.54SS..Hα-helixtrans-67.1-39.3-176.8-148.2-83.8000111.7Y175 Y176 T182 A183Y175-Y179 HydrophobicContact CD1-CD2 4.36Å; Y175-Y179 AromaticContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CE2 4.11Å; Y175-Y179 HydrophobicContact CE1-CG 4.37Å; Y175-Y179 AromaticContact CZ-CD2 3.87Å; Y175-Y179 VanDerWaalsContact O-CB 3.29Å; Y175-Y179 WeakPolarHBondContact O-CB 3.4Å; Y175-Y179 PolarHBondContact O-N 3.06Å; Y176-Y179 PolarHBondContact O-N 3.48Å; Y179-T182 WeakPolarHBondContact CA-OG1 3.44Å; Y179-T182 PolarHBondContact O-OG1 2.86Å; Y179-T182 VanDerWaalsContact O-OG1 3.11Å; Y179-A183 VanDerWaalsContact O-CB 3.25Å; Y179-A183 WeakPolarHBondContact O-CB 3.25Å; Y179-A183 PolarHBondContact O-N 3.28Å
180T54.9Low58.8Low81 Ų81110.9 Ų110.950%0.49755%0.554SS.*Hα-helixtrans-65.6-41.3172.6-53.30000111.6Y176 T178 L184Y176-T180 PolarHBondContact O-N 3.02Å; Y176-T180 PolarHBondContact O-OG1 3.43Å; T178-T180 PolarHBondContact O-N 2.89Å; T180-L184 HydrophobicContact CG2-CD1 4.28Å; T180-L184 WeakPolarHBondContact O-CG 3.44Å; T180-L184 PolarHBondContact O-N 3.14Å
181A50Low56.4Low52 Ų52113.2 Ų113.243%0.4357%0.569SS.*Hα-helixtrans-62.2-50.5175.200000111.7R177 T178 A183 L184 S185R177-A181 WeakPolarHBondContact O-CB 3.46Å; R177-A181 PolarHBondContact O-N 3.22Å; R177-A181 VanDerWaalsContact O-N 3.11Å; T178-A181 PolarHBondContact O-N 2.87Å; A181-A183 VanDerWaalsContact C-N 3.33Å; A181-A183 PolarHBondContact O-N 3.48Å; A181-L184 PolarHBondContact O-N 2.88Å; A181-S185 PolarHBondContact O-N 3.19Å; A181-S185 PolarHBondContact O-OG 3.42Å
182T54.4Low54.3Low73 Ų73112.7 Ų112.745%0.44858%0.579SS.*Hα-helixtrans-64.2-35.2179.5510000112.9T178 Y179 L184 S185 L186T178-T182 PolarHBondContact O-N 3.04Å; T178-T182 PolarHBondContact O-OG1 3.4Å; T178-T182 VanDerWaalsContact O-OG1 3.07Å; Y179-T182 WeakPolarHBondContact CA-OG1 3.44Å; Y179-T182 PolarHBondContact O-OG1 2.86Å; Y179-T182 VanDerWaalsContact O-OG1 3.11Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.37Å; T182-S185 PolarHBondContact O-N 2.93Å; T182-L186 WeakPolarHBondContact O-CB 3.35Å; T182-L186 VanDerWaalsContact O-CG 3.24Å; T182-L186 WeakPolarHBondContact O-CG 3.41Å; T182-L186 PolarHBondContact O-N 2.89Å
183A45.6Very low52.2Low55 Ų55112 Ų11246%0.45559%0.585SS.*Hα-helixtrans-64.7-32.8176.400000112.7Y179 A181Y179-A183 VanDerWaalsContact O-CB 3.25Å; Y179-A183 WeakPolarHBondContact O-CB 3.25Å; Y179-A183 PolarHBondContact O-N 3.28Å; A181-A183 VanDerWaalsContact C-N 3.33Å; A181-A183 PolarHBondContact O-N 3.48Å
184L49.6Very low50.2Low113 Ų113112.5 Ų112.559%0.59259%0.591SS**Hα-helixtrans-86.7-33.5176.7-65.2172.5000112.6T180 A181 T182 L186 S187T180-L184 HydrophobicContact CG2-CD1 4.28Å; T180-L184 WeakPolarHBondContact O-CG 3.44Å; T180-L184 PolarHBondContact O-N 3.14Å; A181-L184 PolarHBondContact O-N 2.88Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.37Å; L184-L186 PolarHBondContact O-N 3.42Å; L184-S187 PolarHBondContact O-N 2.9Å; L184-S187 PolarHBondContact O-OG 3.47Å
185S48.1Very low48.5Very low77 Ų77114.1 Ų114.154%0.53860%0.602SS.*Hα-helixtrans-64.9-30.1171.4-62.90000112.3A181 T182A181-S185 PolarHBondContact O-N 3.19Å; A181-S185 PolarHBondContact O-OG 3.42Å; T182-S185 PolarHBondContact O-N 2.93Å
186L44.8Very low46.7Very low139 Ų139111.3 Ų111.373%0.72860%0.602SS**THydrogen-bonded Turntrans-77.9-12.4175-73.1169.9000114.3T182 L184T182-L186 WeakPolarHBondContact O-CB 3.35Å; T182-L186 VanDerWaalsContact O-CG 3.24Å; T182-L186 WeakPolarHBondContact O-CG 3.41Å; T182-L186 PolarHBondContact O-N 2.89Å; L184-L186 PolarHBondContact O-N 3.42Å
187S39.8Very low45.3Very low78 Ų78107.6 Ų107.655%0.54560%0.599SS.*THydrogen-bonded Turntrans-87.9-11.5174.466.80000114.1L184L184-S187 PolarHBondContact O-N 2.9Å; L184-S187 PolarHBondContact O-OG 3.47Å
188N35.9Very low43.9Very low130 Ų130103 Ų10370%0.69559%0.593SS**SBendtrans-111.726.4-174-77.114.8000114P190N188-P190 WeakPolarHBondContact O-CD 3.33Å
189Y31.6Very low42.6Very low197 Ų197102.2 Ų102.277%0.77360%0.595SS**  trans-100.991.6163.6-88.8-84000110.5
190P40.1Very low41.7Very low98 Ų9897.9 Ų97.964%0.63659%0.587SS**  trans-64.5157.1156.331.2-33.9000109.6N188N188-P190 WeakPolarHBondContact O-CD 3.33Å
191N34.9Very low40.8Very low131 Ų13196.7 Ų96.770%0.70159%0.586SS**  trans69.387.4177.9-44.9-26.5000114.3D193N191-D193 PolarHBondContact O-N 2.74Å
192A38.6Very low40Very low76 Ų7697.9 Ų97.963%0.62860%0.595SS**G310 helixtrans-74.2-6.8173.900000114L194 L195A192-L194 PolarHBondContact O-N 3.24Å; A192-L194 VanDerWaalsContact O-N 3.07Å; A192-L195 PolarHBondContact O-N 3.45Å
193D39.9Very low39.1Very low137 Ų13798 Ų9873%0.73360%0.604SS**G310 helixtrans-70.4-5.4-167.4-58-44.5000115.3N191 P196N191-D193 PolarHBondContact O-N 2.74Å; D193-P196 WeakPolarHBondContact O-CD 3.3Å
194L37.2Very low38.3Very low131 Ų131101.2 Ų101.269%0.68661%0.613SS**G310 helixtrans-94.8-10.5176.5-66.7176.7000114.3A192 A197 V198A192-L194 PolarHBondContact O-N 3.24Å; A192-L194 VanDerWaalsContact O-N 3.07Å; L194-A197 WeakPolarHBondContact O-CB 3.44Å; L194-A197 PolarHBondContact O-N 3.31Å; L194-V198 PolarHBondContact O-N 3.02Å
195L40.3Very low37.5Very low129 Ų129102.5 Ų102.568%0.67562%0.621SS**Hα-helixtrans-65.3-33.5176-72.1176.1000114.6A192 A197 A199A192-L195 PolarHBondContact O-N 3.45Å; L195-A197 VanDerWaalsContact C-N 3.26Å; L195-A197 PolarHBondContact O-N 3.48Å; L195-A199 PolarHBondContact O-N 2.93Å
196P36.8Very low36.6Very low90 Ų90103.6 Ų103.658%0.58463%0.629SS**Hα-helixtrans-59.3-35.2170.1-25.135.4000113.1D193 A200D193-P196 WeakPolarHBondContact O-CD 3.3Å; P196-A200 VanDerWaalsContact O-CB 3.23Å; P196-A200 WeakPolarHBondContact O-CB 3.16Å; P196-A200 PolarHBondContact O-N 2.92Å
197A39.7Very low35.7Very low57 Ų57100.4 Ų100.447%0.47163%0.63SS.*Hα-helixtrans-68.9-43.1-176.900000112.3L194 L195 A200 A201L194-A197 WeakPolarHBondContact O-CB 3.44Å; L194-A197 PolarHBondContact O-N 3.31Å; L195-A197 VanDerWaalsContact C-N 3.26Å; L195-A197 PolarHBondContact O-N 3.48Å; A197-A200 PolarHBondContact O-N 3.36Å; A197-A201 WeakPolarHBondContact O-CB 3.34Å; A197-A201 PolarHBondContact O-N 2.87Å
198V41.4Very low35.2Very low104 Ų104103.6 Ų103.663%0.6364%0.639SS**Hα-helixtrans-70.1-39.3178.7-176.80000111.4L194 A201 A202L194-V198 PolarHBondContact O-N 3.02Å; V198-A201 PolarHBondContact O-N 3.42Å; V198-A202 PolarHBondContact O-N 3.13Å
199A35.4Very low35Very low64 Ų64102.4 Ų102.453%0.52964%0.638SS.*Hα-helixtrans-64.1-42.1174.500000112.1L195 A202 A203L195-A199 PolarHBondContact O-N 2.93Å; A199-A202 PolarHBondContact O-N 3Å; A199-A203 PolarHBondContact O-N 3.21Å; A199-A203 VanDerWaalsContact O-N 3.14Å
200A36.5Very low35Very low44 Ų4498.6 Ų98.636%0.36464%0.64SS.*Hα-helixtrans-67.7-35.6174.800000112.6P196 A197 A202 A203 N204P196-A200 VanDerWaalsContact O-CB 3.23Å; P196-A200 WeakPolarHBondContact O-CB 3.16Å; P196-A200 PolarHBondContact O-N 2.92Å; A197-A200 PolarHBondContact O-N 3.36Å; A200-A202 VanDerWaalsContact C-N 3.35Å; A200-A203 PolarHBondContact O-N 3.03Å; A200-N204 WeakPolarHBondContact O-CB 3.07Å; A200-N204 PolarHBondContact O-N 3.2Å; A200-N204 PolarHBondContact O-ND2 3.44Å
201A36.3Very low34.5Very low56 Ų56100.7 Ų100.746%0.46365%0.646SS.*Hα-helixtrans-64.3-38.917500000111.9A197 V198 N205A197-A201 WeakPolarHBondContact O-CB 3.34Å; A197-A201 PolarHBondContact O-N 2.87Å; V198-A201 PolarHBondContact O-N 3.42Å; A201-N205 PolarHBondContact O-ND2 3.44Å
202A33.8Very low34.3Very low76 Ų76102.4 Ų102.463%0.62865%0.654SS**Hα-helixtrans-64.7-41.5173.100000112.3V198 A199 A200V198-A202 PolarHBondContact O-N 3.13Å; A199-A202 PolarHBondContact O-N 3Å; A200-A202 VanDerWaalsContact C-N 3.35Å
203A33.8Very low33.9Very low77 Ų77104.7 Ų104.764%0.63666%0.661SS**Hα-helixtrans-72.8-27.2-177.300000114.8A199 A200A199-A203 PolarHBondContact O-N 3.21Å; A199-A203 VanDerWaalsContact O-N 3.14Å; A200-A203 PolarHBondContact O-N 3.03Å
204N30.5Very low33.4Very low121 Ų121103.6 Ų103.665%0.64766%0.664SS**THydrogen-bonded Turntrans-86.41.5-176-75.8-58.7000114.8A200 S206A200-N204 WeakPolarHBondContact O-CB 3.07Å; A200-N204 PolarHBondContact O-N 3.2Å; A200-N204 PolarHBondContact O-ND2 3.44Å; N204-S206 PolarHBondContact O-N 3.09Å
205N32.4Very low33.1Very low141 Ų141105.3 Ų105.375%0.75467%0.672SS**  trans-80.449.5174.4-78.4-65.5000112.8A201A201-N205 PolarHBondContact O-ND2 3.44Å
206S27.9Very low32.3Very low100 Ų100101.6 Ų101.670%0.69967%0.665SS**  trans-97.316.8167.6590000112.8N204 I208N204-S206 PolarHBondContact O-N 3.09Å; S206-I208 PolarHBondContact O-N 3.35Å
207G26.9Very low31.8Very low72 Ų72102.2 Ų102.274%0.74267%0.671SS**  trans-75.264.6170.500000112.8
208I29.2Very low31.2Very low145 Ų145106.3 Ų106.374%0.74469%0.69SS**  trans-67.8128169.5-64.1174.7000108.1S206S206-I208 PolarHBondContact O-N 3.35Å
209P31.2Very low30.5Very low105 Ų105108.3 Ų108.368%0.68270%0.697SS**  trans-67.9135-179.627.3-34.4000111.7D211P209-D211 PolarHBondContact O-N 3.09Å
210S32.5Very low30Very low116 Ų116111.3 Ų111.381%0.81171%0.714SS**SBendtrans-78.349.6-171.7-55.40000114.7
211D28.6Very low29.5Very low143 Ų143114.7 Ų114.777%0.76573%0.734SS**  trans-132.513.8-170.6-98.5-45.1000116P209P209-D211 PolarHBondContact O-N 3.09Å
212L31.8Very low29Very low166 Ų166115.4 Ų115.487%0.86975%0.748SS**SBendtrans-126.621.8178.8-71.8177.8000115.3
213T28.9Very low28.7Very low124 Ų124119.2 Ų119.276%0.76176%0.757SS**  trans-101.2-2.3176.846.90000114.7I215T213-I215 VanDerWaalsContact C-N 3.33Å; T213-I215 PolarHBondContact O-N 2.88Å
214S30.9Very low28.3Very low114 Ų114121.2 Ų121.280%0.79777%0.767SS**  trans-84.52-179.3-60.70000115.1G216S214-G216 WeakPolarHBondContact O-CA 3.24Å
215I30.1Very low28.2Very low168 Ų168124 Ų12486%0.86277%0.773SS**  trans-101.585.1158.5-52.6177.6000106.2T213T213-I215 VanDerWaalsContact C-N 3.33Å; T213-I215 PolarHBondContact O-N 2.88Å
216G23.9Very low28Very low51 Ų51124 Ų12453%0.52677%0.774SS.*  cis104.567.619.800000110.4S214 V218S214-G216 WeakPolarHBondContact O-CA 3.24Å; G216-V218 PolarHBondContact O-N 2.83Å
217S26.3Very low28Very low103 Ų103127.6 Ų127.672%0.7278%0.777SS**  trans31.274.7160.7-60.70000118.7L219S217-L219 VanDerWaalsContact C-N 3.25Å
218V27.1Very low28.6Very low143 Ų143128.2 Ų128.287%0.86777%0.77SS**  trans-99.552.6141-165.80000108.5G216G216-V218 PolarHBondContact O-N 2.83Å
219L27Very low28.9Very low146 Ų146130.5 Ų130.576%0.76477%0.774SS**  trans-89.8129.2179.5-72.2174.7000110.4S217S217-L219 VanDerWaalsContact C-N 3.25Å
220S25.3Very low29.1Very low127 Ų127133 Ų13389%0.88878%0.777SS**  trans60.168.4164.5-167.10000116.9
221S26.1Very low29.1Very low114 Ų114131.9 Ų131.980%0.79777%0.769SS**  trans-123.4135.8137.863.90000108.9
222G24.7Very low29.2Very low72 Ų72136 Ų13674%0.74277%0.774SS**  trans-88.2132.6-170.900000112.5
223N27.5Very low29.4Very low155 Ų155135 Ų13583%0.82977%0.77SS**  trans-155.8101.6142.5-102.4-25000109.1F225N223-F225 VanDerWaalsContact C-N 3.3Å; N223-F225 PolarHBondContact O-N 3.17Å
224S24.9Very low29.5Very low120 Ų120135.1 Ų135.184%0.83977%0.77SS**  trans-71.787.7167.651.30000108.6D226S224-D226 PolarHBondContact O-N 3.1Å; S224-D226 VanDerWaalsContact O-N 3.17Å
225F28.4Very low29.7Very low179 Ų179136 Ų13679%0.78577%0.766SS**  trans-73.5109.1177.2-144.5-84.6000109.3N223 F227N223-F225 VanDerWaalsContact C-N 3.3Å; N223-F225 PolarHBondContact O-N 3.17Å; F225-F227 HydrophobicContact CD1-CD2 4.3Å; F225-F227 HydrophobicContact CD1-CE2 4.19Å; F225-F227 HydrophobicContact CE1-CE2 4.3Å; F225-F227 PolarHBondContact O-N 3.14Å
226D28Very low29.9Very low142 Ų142134 Ų13476%0.75976%0.755SS**  trans-76.4113.6-166.1-147-25.1000111.2S224S224-D226 PolarHBondContact O-N 3.1Å; S224-D226 VanDerWaalsContact O-N 3.17Å
227F28.3Very low30.4Very low174 Ų174138.1 Ų138.176%0.76376%0.755SS**  trans-125.9109165.9-96.5-78.1000108.7F225 K229F225-F227 HydrophobicContact CD1-CD2 4.3Å; F225-F227 HydrophobicContact CD1-CE2 4.19Å; F225-F227 HydrophobicContact CE1-CE2 4.3Å; F225-F227 PolarHBondContact O-N 3.14Å; F227-K229 PolarHBondContact O-N 3.41Å
228S39.1Very low30.7Very low86 Ų86135.1 Ų135.160%0.60174%0.741SS**  trans-63.595.5-169.3-163.80000112.2H230S228-H230 PolarHBondContact O-N 3.16Å; S228-H230 PolarHBondContact OG-CE1 2.78Å; S228-H230 VanDerWaalsContact OG-CE1 3.31Å; S228-H230 PolarHBondContact OG-ND1 3.33Å
229K35.4Very low31.1Very low192 Ų192132.5 Ų132.584%0.83572%0.715SS**  trans-70.599.8169-71.7-176.1179178.80108.6F227 S231F227-K229 PolarHBondContact O-N 3.41Å; K229-S231 PolarHBondContact O-N 3.47Å
230H35.7Very low31.5Very low157 Ų157135 Ų13573%0.72771%0.714SS**  trans-71.469.4173.5-63.8-19.9000111.7S228 R232S228-H230 PolarHBondContact O-N 3.16Å; S228-H230 PolarHBondContact OG-CE1 2.78Å; S228-H230 VanDerWaalsContact OG-CE1 3.31Å; S228-H230 PolarHBondContact OG-ND1 3.33Å; H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.14Å
231S33.2Very low32Very low94 Ų94133.8 Ų133.866%0.65770%0.704SS**  trans-65.1105.7170.551.20000110K229 D233K229-S231 PolarHBondContact O-N 3.47Å; S231-D233 PolarHBondContact O-N 3.22Å; S231-D233 VanDerWaalsContact O-N 3.16Å
232R31.4Very low32.6Very low229 Ų229136.6 Ų136.686%0.86470%0.701SS**  trans-86.848.5176.1-61.6-171.5-167.9157.93.8112.1H230 V234H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.14Å; R232-V234 PolarHBondContact O-N 3.07Å
233D34.3Very low33Very low146 Ų146142.7 Ų142.778%0.78171%0.708SS**  trans-87.8106.7173.3-67.3-65.9000109S231 D235S231-D233 PolarHBondContact O-N 3.22Å; S231-D233 VanDerWaalsContact O-N 3.16Å; D233-D235 PolarHBondContact O-N 2.83Å
234V31.5Very low33.3Very low125 Ų125144.6 Ų144.676%0.75870%0.704SS**  trans-88.5101.8-174.81790000109.6R232 I236R232-V234 PolarHBondContact O-N 3.07Å; V234-I236 WeakPolarHBondContact O-CG1 3.15Å
235D34.5Very low33.5Very low134 Ų134144.7 Ų144.772%0.71769%0.691SS**  trans-80.4148.5-178.2-154.8-18.2000113.1D233D233-D235 PolarHBondContact O-N 2.83Å
236I35.6Very low33.7Very low125 Ų125143.2 Ų143.264%0.64169%0.685SS**  trans-135.470.2-161.5-42.8-177.5000114.7R38 V234R38-I236 WeakPolarHBondContact CD-O 3.31Å; R38-I236 WeakPolarHBondContact CG-O 3.48Å; V234-I236 WeakPolarHBondContact O-CG1 3.15Å
237R34.7Very low33.9Very low137 Ų137140.7 Ų140.752%0.51767%0.668SS.*  trans-159123.1145.6-98.3170-179.6165.31.6102.8R38 R39 H40 V41R38-R237 HydrophobicContact CB-CG 4.42Å; R38-R237 HydrophobicContact CG-CB 4.06Å; R38-R237 HydrophobicContact CG-CG 3.89Å; R38-R237 WeakPolarHBondContact O-CD 3.23Å; R38-R237 PolarHBondContact O-NH1 3.5Å; R39-R237 CarbonylContact C-O 2.81Å; R39-R237 VanDerWaalsContact C-O 3.25Å; H40-R237 CarbonylContact C-O 3.43Å; H40-R237 VanDerWaalsContact CA-O 3.24Å; H40-R237 WeakPolarHBondContact CA-O 3.49Å; H40-R237 PolarHBondContact N-O 2.88Å; H40-R237 VanDerWaalsContact O-O 3.04Å; V41-R237 PolarHBondContact N-O 3Å; V41-R237 CarbonylContact O-C 3.49Å
238G31.1Very low33.9Very low41 Ų41137.8 Ų137.842%0.42366%0.657SS.*  cis90.9111.149.800000112.3V41V41-G238 PolarHBondContact N-O 2.99Å; V41-G238 PolarHBondContact O-N 2.93Å
239R36.3Very low33.7Very low87 Ų87138 Ų13833%0.32866%0.659SS.*  trans-163.9123.9168.3-98.3-170.2-170.2-114.85.5114.2H40 V41 R42H40-R239 PolarHBondContact CD2-NE 3.37Å; H40-R239 PolarHBondContact CE1-NE 3.07Å; H40-R239 PolarHBondContact CE1-NH2 2.87Å; H40-R239 VanDerWaalsContact CE1-NH2 3.28Å; H40-R239 PolarHBondContact ND1-NE 3.35Å; H40-R239 VanDerWaalsContact NE2-CZ 3.31Å; H40-R239 PolarHBondContact NE2-NE 3.48Å; H40-R239 VanDerWaalsContact NE2-NE 3.14Å; H40-R239 PolarHBondContact NE2-NH2 3.21Å; V41-R239 HydrophobicContact CG2-CB 3.99Å; R42-R239 WeakPolarHBondContact CB-O 3.34Å; R42-R239 WeakPolarHBondContact CD-O 3.45Å; R42-R239 WeakPolarHBondContact CG-O 3.23Å
240R34.4Very low33.4Very low198 Ų198131.1 Ų131.175%0.74763%0.634SS**  trans69.5120.2155-65.2-175.2170.3155.8-3.7121.3R42R42-R240 WeakPolarHBondContact CD-O 3.44Å; R42-R240 PolarHBondContact NE-O 2.84Å
241P35.9Very low33.3Very low103 Ų103131.5 Ų131.567%0.66964%0.642SS**PPolyproline II helixtrans-85157.917535.9-35.3000113.3
242K40.1Very low33.2Very low172 Ų172131.9 Ų131.975%0.74864%0.64SS**PPolyproline II helixtrans-87.3144.9166.8-77.7-173.2176.11790111.6Y244K242-Y244 HydrophobicContact CB-CD2 4.42Å; K242-Y244 HydrophobicContact CB-CE2 4.02Å; K242-Y244 HydrophobicContact CD-CE2 3.98Å
243K33Very low33.2Very low201 Ų201127 Ų12787%0.87464%0.641SS**PPolyproline II helixtrans-82.8136.5163.2-61.7177.8-180-179.70108.7
244Y33.8Very low33Very low194 Ų194124.7 Ų124.776%0.76164%0.637SS**  trans-129.6137.4152.4-75.2-80.8000108.2K242K242-Y244 HydrophobicContact CB-CD2 4.42Å; K242-Y244 HydrophobicContact CB-CE2 4.02Å; K242-Y244 HydrophobicContact CD-CE2 3.98Å
245H28.1Very low33.1Very low122 Ų122130.3 Ų130.357%0.56564%0.644SS**  trans-137.8135-176.2155.680.6000106.5N739H245-N739 PolarHBondContact CE1-OD1 3.01Å; H245-N739 PolarHBondContact ND1-OD1 3.47Å
246K33.8Very low32.7Very low148 Ų148128.5 Ų128.564%0.64364%0.642SS**  trans174.8127.3136.4-98-174.3165-158.70110.5
247H32Very low32.6Very low90 Ų90128 Ų12842%0.41765%0.647SS.*  trans67.7126136.8-62-42000121.3T738H247-T738 VanDerWaalsContact CB-CB 3.44Å; H247-T738 HydrophobicContact CB-CG2 3.5Å; H247-T738 WeakPolarHBondContact ND1-CB 3.44Å; H247-T738 PolarHBondContact ND1-O 3.24Å; H247-T738 PolarHBondContact ND1-OG1 2.7Å; H247-T738 VanDerWaalsContact ND1-OG1 3.1Å
248E27.4Very low32.4Very low112 Ų112129.2 Ų129.252%0.52366%0.658SS.*  trans-112.6101.9174.583.8-146.8-40.700112.7S250 D737 T738 N739 S740E248-S250 PolarHBondContact O-N 2.97Å; E248-D737 WeakPolarHBondContact O-CA 3.18Å; E248-T738 VanDerWaalsContact N-CG2 3.3Å; E248-T738 WeakPolarHBondContact O-CA 3.12Å; E248-T738 WeakPolarHBondContact O-CG2 3.29Å; E248-N739 VanDerWaalsContact CD-N 3.35Å; E248-N739 VanDerWaalsContact OE1-C 3.32Å; E248-N739 WeakPolarHBondContact OE2-CA 3.45Å; E248-N739 PolarHBondContact OE2-N 2.96Å; E248-N739 VanDerWaalsContact OE2-O 3.13Å; E248-S740 PolarHBondContact OE1-N 3Å; E248-S740 PolarHBondContact OE2-N 3.11Å
249S34.4Very low32.3Very low92 Ų92135.5 Ų135.564%0.64368%0.677SS**  trans-72131.3-178.7-64.10000112.4D737S249-D737 VanDerWaalsContact CA-OD1 3.29Å; S249-D737 WeakPolarHBondContact CA-OD1 3.11Å; S249-D737 WeakPolarHBondContact CA-OD2 3.46Å; S249-D737 VanDerWaalsContact CB-OD2 3.3Å; S249-D737 WeakPolarHBondContact CB-OD2 3.3Å; S249-D737 PolarHBondContact OG-OD2 3.11Å
250S29.5Very low32.2Very low46 Ų46142.1 Ų142.132%0.32270%0.702SS.*  trans-77.9154.2-175.775.60000111.2E248 P735 D737E248-S250 PolarHBondContact O-N 2.97Å; S250-P735 PolarHBondContact OG-O 3.37Å; S250-D737 PolarHBondContact N-OD1 2.86Å; S250-D737 PolarHBondContact OG-N 3.25Å
251N33.2Very low32.3Very low165 Ų165141.3 Ų141.388%0.88271%0.706SS**  trans-140.7129.7162.4-100-80.1000108.8
252V31.1Very low32.3Very low103 Ų103142.1 Ų142.162%0.62470%0.701SS**  trans-99.6129.7-165.2-171.50000109.7
253S33.4Very low31.8Very low125 Ų125140 Ų14087%0.87471%0.708SS**  trans-134.7135.7162.4-174.90000108.8
254S29.5Very low31.9Very low99 Ų99137.8 Ų137.869%0.69270%0.7SS**  trans-110.2179-157.359.30000114.1
255R33Very low31.8Very low242 Ų242133.7 Ų133.791%0.91370%0.7SS**  trans73.8148.1-176.5-58.5179.6161.9-141.7-6.6115.9
256S25.8Very low32.1Very low96 Ų96138.6 Ų138.667%0.67171%0.714SS**  cis-175.3148.6-30.1-168.10000105.7
257P34.6Very low32.2Very low114 Ų114137.3 Ų137.374%0.7472%0.718SS**  trans-114.389.4-161.738.4-27.1000115.7
258E30.4Very low32.2Very low164 Ų164142.7 Ų142.777%0.76674%0.741SS**  trans-88.5117.7156.8-87.685.4163.200109.4
259Q29.2Very low32.3Very low172 Ų172148 Ų14880%0.80476%0.756SS**  cis74.589.644.1-163.2-169.88.500113.8
260R32.9Very low32.3Very low227 Ų227148.8 Ų148.886%0.85776%0.761SS**  trans-159.4135.5141.7-119.4166.9167.3163.5-3.6110.9
261Q38.1Very low32.4Very low180 Ų180153 Ų15384%0.84178%0.781SS**  trans-122.4126.9-176.6-69.5-168.3-0.100111.4
262H34.8Very low32.4Very low120 Ų120156.3 Ų156.356%0.55678%0.781SS**  trans-149.7132.5166.2-52.8-80.1000106H264H262-H264 HydrophobicContact CB-CB 4.47Å; H262-H264 AromaticContact CE1-CD2 3.95Å; H262-H264 AromaticContact CE1-NE2 3.48Å; H262-H264 PolarHBondContact CE1-NE2 3.17Å; H262-H264 AromaticContact CG-CD2 3.53Å; H262-H264 AromaticContact CG-NE2 3.88Å; H262-H264 AromaticContact ND1-CD2 3.14Å; H262-H264 PolarHBondContact ND1-CD2 3.4Å; H262-H264 AromaticContact ND1-CE1 3.86Å; H262-H264 AromaticContact ND1-CG 3.99Å; H262-H264 AromaticContact ND1-NE2 3.03Å; H262-H264 PolarHBondContact ND1-NE2 3.01Å
263S29.1Very low32.4Very low128 Ų128156.5 Ų156.590%0.89578%0.782SS**  cis35.170.98.7-68.40000115.4
264H35.5Very low32.6Very low155 Ų155157.4 Ų157.472%0.71878%0.777SS**  trans-106.3107.6151.5-98.2-57.6000109.3H262H262-H264 HydrophobicContact CB-CB 4.47Å; H262-H264 AromaticContact CE1-CD2 3.95Å; H262-H264 AromaticContact CE1-NE2 3.48Å; H262-H264 PolarHBondContact CE1-NE2 3.17Å; H262-H264 AromaticContact CG-CD2 3.53Å; H262-H264 AromaticContact CG-NE2 3.88Å; H262-H264 AromaticContact ND1-CD2 3.14Å; H262-H264 PolarHBondContact ND1-CD2 3.4Å; H262-H264 AromaticContact ND1-CE1 3.86Å; H262-H264 AromaticContact ND1-CG 3.99Å; H262-H264 AromaticContact ND1-NE2 3.03Å; H262-H264 PolarHBondContact ND1-NE2 3.01Å
265S31.8Very low32.7Very low108 Ų108159.9 Ų159.976%0.75578%0.783SS**  trans-86.1157.7144.454.90000108.8
266R33.9Very low32.7Very low225 Ų225154.2 Ų154.285%0.84978%0.78SS**SBendtrans68.981.7166.1-146.8167.6-161.1148.85.4117.9
267T36.1Very low33.4Very low120 Ų120154.7 Ų154.774%0.73678%0.784SS**  35129.3129.127.70000120.6R269T267-R269 PolarHBondContact O-N 3.48Å; T267-R269 VanDerWaalsContact O-N 3.16Å
268F32.4Very low33.1Very low204 Ų204161.3 Ų161.390%0.89579%0.794SS**  trans-48.3118.5138.1-79.4-92.3000109.9
269R30.7Very low33.4Very low222 Ų222159.2 Ų159.284%0.83880%0.797SS**  trans-83.5112.7133.7-84.2-178.8167.1169.3-5.7106.1T267T267-R269 PolarHBondContact O-N 3.48Å; T267-R269 VanDerWaalsContact O-N 3.16Å
270S33.8Very low33.6Very low109 Ų109156.5 Ų156.576%0.76280%0.797SS**  trans-64.4139.6147.746.70000107.2
271N32.1Very low33.8Very low135 Ų135152.8 Ų152.872%0.72280%0.8SS**  trans-77131.2-167.9-60.6-42.9000111.1T273N271-T273 HydrophobicContact CB-CG2 4.15Å
272R31.5Very low33.5Very low234 Ų234152.1 Ų152.188%0.88379%0.794SS**  trans-85.198.2134.7-89.6-169.3173.7178.3-1.6106.9N274R272-N274 PolarHBondContact O-N 2.84Å
273T32.8Very low33.3Very low108 Ų108152.5 Ų152.566%0.66380%0.8SS**  trans-64.5108.3156.842.20000107.4N271N271-T273 HydrophobicContact CB-CG2 4.15Å
274N36.4Very low33.7Very low143 Ų143153.4 Ų153.477%0.76580%0.8SS**  trans-98.5135.4152.1-80.822.2000106.5R272R272-N274 PolarHBondContact O-N 2.84Å
275D31.6Very low34Very low151 Ų151152.4 Ų152.481%0.80781%0.805SS**  trans-73.4145-170.2-55.3-92.3000113.1
276S32.6Very low34.4Very low124 Ų124152.4 Ų152.487%0.86780%0.802SS**  trans-133.1134.7137.9-171.50000107.6
277S40.5Very low34.6Very low106 Ų106152.1 Ų152.174%0.74181%0.807SS**  trans-72.8153.3-160.2-70.80000113.6S279S277-S279 PolarHBondContact O-N 3.21Å
278R28.7Very low34.2Very low252 Ų252149.5 Ų149.595%0.95180%0.804SS**  trans-46.8130.9156.6-66.4165.7166.3149.6-8.2109.9
279S37.1Very low34.1Very low120 Ų120150.2 Ų150.284%0.83981%0.807SS**  trans-135.3143.3148.866.20000109S277S277-S279 PolarHBondContact O-N 3.21Å
280S33Very low34.1Very low115 Ų115142.8 Ų142.880%0.80480%0.799SS**  trans-120.4124.2-17454.30000109.8
281V37.1Very low34.2Very low149 Ų149146.1 Ų146.190%0.90380%0.8SS**  trans-130147160.5-176.30000107.5
282K31.7Very low34.3Very low167 Ų167149.9 Ų149.973%0.72680%0.804SS**  trans-138.4140.4-165.8177.2172.2176.9-179.70109.8
283D31.4Very low34.1Very low128 Ų128148.5 Ų148.568%0.68481%0.805SS**  trans40.2114.4163.3-49.8-23.1000119.4
284T36.9Very low34.5Very low146 Ų146153.5 Ų153.590%0.89681%0.812SS**  trans-164.2146.1138.44.90000113.8
285V42.6Very low34.4Very low134 Ų134153 Ų15381%0.81281%0.805SS**  trans-152.7157.9-179.5175.10000105.8
286P39.6Very low34.5Very low109 Ų109151 Ų15171%0.70880%0.802SS**  cis-120.8166.5-2536.1-23.2000113.2
287K37.2Very low34.9Very low218 Ų218150.2 Ų150.295%0.94880%0.795SS**  trans-167.3153.3135.8-67-154-177.8173.60108.5
288G28.6Very low34.6Very low65 Ų65151.9 Ų151.967%0.6780%0.8SS**  cis152.5115.2-12.100000113.4
289K30.9Very low34.7Very low220 Ų220149.1 Ų149.196%0.95780%0.795SS**  trans65.5135.1-179-52.5174.3180177.40114.8
290G30.7Very low34.8Very low66 Ų66149.9 Ų149.968%0.6879%0.794SS**  cis113.5114.8-6.500000114.3
291F34.5Very low34.8Very low178 Ų178153.3 Ų153.378%0.78179%0.794SS**  trans-152.9145.4170.1-101.7-64.4000113.1
292R34.9Very low34.5Very low214 Ų214155.8 Ų155.881%0.80879%0.793SS**  trans36.3106.7156-65.9150.7-170.2174.53.4116.5
293K28.3Very low34.7Very low206 Ų206152.9 Ų152.990%0.89679%0.79SS**  cis60.494.836.5-159.5-168-174.8-174.30113.9
294R39.6Very low34.7Very low212 Ų212154.6 Ų154.680%0.879%0.793SS**  trans-150.9179.3155-103.7-163.6-175.1-94.19.4110.9
295E35.5Very low34.3Very low134 Ų134157.6 Ų157.663%0.62679%0.79SS**  trans-44.9137.9-161.2-64.174.2-147.100115.4
296S33.9Very low33.7Very low107 Ų107157.2 Ų157.275%0.74879%0.788SS**  cis76125.947.5-171.80000113.4
297P40.8Very low33.1Very low109 Ų109155.8 Ų155.871%0.70878%0.781SS**PPolyproline II helixtrans-81152-167.732.6-37000114.2K299P297-K299 PolarHBondContact O-N 2.93Å
298V33.4Very low32.9Very low140 Ų140153.3 Ų153.385%0.84877%0.772SS**PPolyproline II helixtrans-67.8119.2164.6174.70000109
299K31.5Very low33Very low194 Ų194157.9 Ų157.984%0.84378%0.776SS**PPolyproline II helixtrans-81.9129.5172.4-58.1170.8-176.9173.80109.2P297P297-K299 PolarHBondContact O-N 2.93Å
300V38.9Very low33.1Very low136 Ų136149.8 Ų149.882%0.82475%0.747SS**  trans-119.6150.1150.9-172.60000107.6
301K32.6Very low33.5Very low188 Ų188149.3 Ų149.382%0.81773%0.729SS**  trans-74.9148.5-154.9-64.1177.4179177.10113.9
302K30.3Very low33.6Very low200 Ų200143.5 Ų143.587%0.8771%0.706SS**  trans-76.1133.8142.8-80.1-173.3173.2-1730108.9
303T36.3Very low33.7Very low107 Ų107139.7 Ų139.766%0.65670%0.697SS**  trans-141.4109.2152.835.20000104
304E32.1Very low33.9Very low164 Ų164134.5 Ų134.577%0.76669%0.686SS**  101.698.387.3-162.8152.7-124.800106.4
305Y27.4Very low33.7Very low209 Ų209132.4 Ų132.482%0.8269%0.69SS**  44.311789.5-69.5-77.4000110.5
306T31.3Very low33.7Very low125 Ų125132.5 Ų132.577%0.76769%0.694SS**  -156.8156.253.843.40000115.3
307S27.5Very low33.6Very low80 Ų80137.1 Ų137.156%0.55970%0.697SS**  trans30.8124.3132-57.20000121.1
308E31.4Very low33.1Very low165 Ų165136.4 Ų136.477%0.77169%0.69SS**  77.8146.687.5-66.6151.6-114.400113.7
309E31.9Very low33.2Very low161 Ų161133.1 Ų133.175%0.75267%0.674SS**  cis-164.2178.8-17.4-171.6164127.400108.1
310S32.1Very low33.2Very low50 Ų50129.6 Ų129.635%0.3566%0.664SS.*  trans69.8151.3175-45.90000115.5R1176S310-R1176 VanDerWaalsContact C-NH1 3.35Å; S310-R1176 VanDerWaalsContact O-CD 3.23Å; S310-R1176 WeakPolarHBondContact O-CD 3.46Å; S310-R1176 PolarHBondContact O-NH1 2.7Å
311D39.1Very low33.1Very low56 Ų56129 Ų12930%0.29966%0.656SS.*  cis-149164.323.7-48.2-77.8000112.5N1174 T1175 R1176D311-N1174 VanDerWaalsContact C-C 3.42Å; D311-N1174 WeakPolarHBondContact CA-O 3.42Å; D311-N1174 HydrophobicContact CB-CB 4.11Å; D311-N1174 VanDerWaalsContact CB-CG 3.44Å; D311-N1174 VanDerWaalsContact CB-ND2 3.35Å; D311-N1174 WeakPolarHBondContact CB-ND2 3.28Å; D311-N1174 PolarHBondContact OD1-ND2 2.86Å; D311-T1175 VanDerWaalsContact C-CA 3.44Å; D311-R1176 VanDerWaalsContact CB-NH2 3.32Å; D311-R1176 VanDerWaalsContact N-CD 3.35Å; D311-R1176 VanDerWaalsContact N-NE 3.1Å; D311-R1176 VanDerWaalsContact N-NH1 3.19Å; D311-R1176 WeakPolarHBondContact O-CB 3.22Å; D311-R1176 WeakPolarHBondContact O-CD 3.48Å; D311-R1176 VanDerWaalsContact O-CG 3.3Å; D311-R1176 WeakPolarHBondContact O-CG 3.4Å; D311-R1176 PolarHBondContact O-NE 3.42Å; D311-R1176 IonicContact OD2-CZ 3.09Å; D311-R1176 IonicContact OD2-NH1 2.71Å; D311-R1176 PolarHBondContact OD2-NH1 2.65Å; D311-R1176 IonicContact OD2-NH2 2.81Å; D311-R1176 PolarHBondContact OD2-NH2 3.17Å
312D37.1Very low32.9Very low56 Ų56127 Ų12730%0.29965%0.65SS.*  trans-69.2180173.6-68.6155000110.1S1173 N1174 T1175D312-S1173 WeakPolarHBondContact OD1-CA 3.31Å; D312-S1173 PolarHBondContact OD1-N 2.81Å; D312-N1174 WeakPolarHBondContact CB-OD1 2.86Å; D312-N1174 PolarHBondContact N-OD1 3.16Å; D312-N1174 PolarHBondContact OD1-N 3.5Å; D312-N1174 VanDerWaalsContact OD2-CA 3.3Å; D312-N1174 WeakPolarHBondContact OD2-CA 3.45Å; D312-N1174 PolarHBondContact OD2-N 3.42Å; D312-T1175 VanDerWaalsContact N-N 3.12Å; D312-T1175 PolarHBondContact OD2-N 3.14Å
313H38Very low32.9Very low135 Ų135124.4 Ų124.463%0.62565%0.645SS**  -154.1170.796-114-119.1000110.6
314C31.1Very low32.8Very low97 Ų97123.7 Ų123.766%0.65564%0.643SS**  trans-68.1170-166.2-159.90000114.8L1172C314-L1172 HydrophobicContact CB-CD2 3.87Å
315L35.9Very low32.8Very low167 Ų167123.5 Ų123.587%0.87464%0.642SS**  trans-53.9146.4176.3-69.4162.7000113.7
316D35.5Very low33Very low136 Ų136120.8 Ų120.873%0.72764%0.637SS**  trans-128.4136.9170.1-147.88.2000110.3
317Y31.4Very low33Very low205 Ų205121.4 Ų121.480%0.80464%0.635SS**  trans42.8150.4149.9-87.3-134.1000123.3
318V30.7Very low33.2Very low93 Ų93122.8 Ų122.856%0.56465%0.645SS**  cis-172.3151.1-26.581.20000109.5
319S35.1Very low33.1Very low72 Ų72118.2 Ų118.250%0.50364%0.635SS.*  trans62.5165160-760000117.2K1162S319-K1162 PolarHBondContact OG-NZ 2.8Å
320N32.5Very low33Very low120 Ų120117.3 Ų117.364%0.64264%0.636SS**  cis-156.6133.3-20.6-112.621.6000106.9
321D35.6Very low33.1Very low122 Ų122121.9 Ų121.965%0.65266%0.656SS**  178.5128.9120.9-90.3-8.3000108.1
322Q29.6Very low33Very low148 Ų148125.4 Ų125.469%0.69268%0.675SS**  66.4133.175.5-67.6-169.596.700112.5
323L29.8Very low32.7Very low145 Ų145128.8 Ų128.876%0.75969%0.693SS**  cis-165.2-164.3-19.7-123.5173.6000106.2
324C33.7Very low32.3Very low91 Ų91130.8 Ų130.862%0.61570%0.703SS**  trans70115.8178.3-60.80000113.6
325E33.2Very low32.5Very low161 Ų161131.7 Ų131.775%0.75271%0.71SS**  101.2148.957-84.5157.7-152.900110
326E31.2Very low32.4Very low152 Ų152131.2 Ų131.271%0.7170%0.704SS**  cis-158.3155.4-24.9-179163.6151.200109.7
327N29.9Very low32.2Very low138 Ų138134.5 Ų134.574%0.73871%0.714SS**  trans4.3111.6160.5-54-39.5000120
328S33.1Very low32.4Very low108 Ų108132.9 Ų132.976%0.75571%0.711SS**  -164123.3118-149.20000106.9
329A28.8Very low32.5Very low69 Ų69133.8 Ų133.857%0.5772%0.722SS**  59.2110.853.800000112
330D30Very low32.5Very low142 Ų142135.8 Ų135.876%0.75974%0.736SS**  42.8123.4123.7-45.8-28.6000116.3
331D33.2Very low32.5Very low147 Ų147141.1 Ų141.179%0.78675%0.747SS**  cis-148.3-165.823-69.1-68.1000109.2
332D37Very low32.2Very low130 Ų130146.5 Ų146.570%0.69576%0.759SS**  cis-159.6164.48.3-1571.2000113.4
333N31.6Very low32.5Very low126 Ų126145.2 Ų145.267%0.67476%0.761SS**  trans64.9134.4144.9-106.3-65.6000124.1
334E30.1Very low32.6Very low178 Ų178144.7 Ų144.783%0.83276%0.763SS**  trans-65.9145.3170.6-50.2175.692.800112.8
335S33.8Very low32.3Very low116 Ų116151.6 Ų151.681%0.81178%0.776SS**  trans-14596.2145.653.90000114.2
336Q33.6Very low32.1Very low157 Ų157155.5 Ų155.573%0.73478%0.784SS**  trans5.7117.4157.3-55.2-177.133.100118.9
337Q31.9Very low32Very low204 Ų204159.5 Ų159.595%0.95379%0.793SS**  trans-100.7129.9147.6-75.1-164.6-8.300111.2
338K35.7Very low32Very low171 Ų171157.7 Ų157.774%0.74379%0.79SS**  trans-112.7136.5168.8-76.5175.5-178.8162.50110.3
339S33.5Very low31.8Very low113 Ų113158.5 Ų158.579%0.7979%0.791SS**  trans5473.6151.3-175.30000117.5
340S33.8Very low32Very low114 Ų114161.3 Ų161.380%0.79780%0.801SS**  trans-77.6129.6155.1-177.90000110.6
341R34.3Very low31.9Very low231 Ų231162 Ų16287%0.87280%0.799SS**  trans-144.8123.8169.9-178.7-177.5-83.4-164.6-3.3110.2
342R29.3Very low31.8Very low236 Ų236160.7 Ų160.789%0.89180%0.797SS**  trans70.892.9169.4-156.7173.2-162.3151.73.9116
343V34.7Very low31.4Very low121 Ų121161.3 Ų161.373%0.73381%0.806SS**  trans-109.8133.9161.8175.50000108.8
344V31.6Very low31.4Very low134 Ų134161.5 Ų161.581%0.81281%0.812SS**  trans-141.7144.4156.9179.90000107.2
345R27.3Very low31.2Very low235 Ų235158 Ų15889%0.88781%0.807SS**  trans65.472.9174.8-158.6-177.7-175.295.5-3.2116.4
346R29.3Very low30.9Very low244 Ų244159.4 Ų159.492%0.92181%0.811SS**  -136.5168114.7-116.1176.8179.8160.91.4110.2
347R29.8Very low30.8Very low236 Ų236155.3 Ų155.389%0.89181%0.81SS**  trans-69.1155-172.2-75.6175.7167.9164-7.3111.8
348S30.4Very low30.7Very low99 Ų99154.6 Ų154.669%0.69281%0.807SS**  trans-44.9150.3156.7380000112.5
349T29.2Very low30.4Very low125 Ų125154 Ų15477%0.76781%0.805SS**  cis67.4108.226.177.70000116.6
350V31.1Very low30.2Very low128 Ų128155.8 Ų155.878%0.77680%0.801SS**  179.2150.1114148.60000108.6
351E28.7Very low30.1Very low156 Ų156158.9 Ų158.973%0.72980%0.802SS**  trans-75.6160.4-179.7-47.291.8147.600112.7
352T32.1Very low29.9Very low121 Ų121153 Ų15374%0.74280%0.797SS**  -156.9114129-68.30000109.2
353T28.2Very low29.9Very low142 Ų142147.2 Ų147.287%0.87179%0.787SS**  trans-122.1109.8158.234.60000108.1
354T30.7Very low29.6Very low130 Ų130149 Ų14980%0.79879%0.788SS**  trans-138.3122.7172.844.60000108.8
355S26.6Very low29.7Very low106 Ų106148.1 Ų148.174%0.74178%0.778SS**  trans-101.7177.2177.353.20000111.9
356T28.1Very low30.2Very low145 Ų145144.7 Ų144.789%0.8977%0.772SS**  trans106.1142.6164.469.90000117.8
357G30.8Very low30.6Very low70 Ų70138.6 Ų138.672%0.72276%0.758SS**  trans88.595.1-169.200000111.8
358Q30.3Very low31Very low190 Ų190135 Ų13589%0.88876%0.756SS**  66.794.562.5-63-161-86.600115.9
359K28Very low31.1Very low159 Ų159133.8 Ų133.869%0.69175%0.747SS**  35.4111.3117.7-160.5-140173-150.60117.6
360E30.3Very low31.6Very low150 Ų150136.7 Ų136.770%0.70175%0.75SS**  -175.3120.9109.1-99.7162.7-163.300114.1
361E31.6Very low31.7Very low178 Ų178136.6 Ų136.683%0.83275%0.749SS**  42.2158.2129.6-150160.6164.600124.1
362S30.7Very low32.3Very low108 Ų108134.3 Ų134.376%0.75575%0.745SS**  trans78.6112.6178.4-120.30000115.4
363V28.7Very low32.7Very low115 Ų115134.1 Ų134.170%0.69774%0.744SS**  cis96.6145.939.9173.10000112.4
364H29.2Very low32.9Very low159 Ų159131.4 Ų131.474%0.73673%0.731SS**  trans75.5140176.4-69.1-30.2000118.9
365D33.4Very low32.9Very low114 Ų114131.6 Ų131.661%0.6173%0.727SS**  cis-163.6168.8-28.7-121.711.6000114.3
366E37.4Very low33.2Very low163 Ų163132.5 Ų132.576%0.76273%0.728SS**  trans59.2135.1146.3-71.5-177.5156.300123.3
367D36.7Very low33.5Very low116 Ų116129.3 Ų129.362%0.6271%0.712SS**  trans51.8109.9143.4-79.514.3000122.1
368N39.1Very low33.4Very low162 Ų162133.6 Ų133.687%0.86671%0.713SS**  -136.4126.782.7-103.1-83000112.8
369S33.1Very low33.7Very low72 Ų72130.8 Ų130.850%0.50370%0.703SS.*  trans-87-170.3168.4580000111.1
370K38.3Very low34.1Very low187 Ų187129.8 Ų129.881%0.81371%0.71SS**  trans90136.8167.8-62.8170.7-174169.30117.7
371V34.7Very low34.5Very low125 Ų125127.8 Ų127.876%0.75871%0.708SS**  cis-161.8155.7-20.193.10000110.9
372V39.6Very low34.7Very low108 Ų108127 Ų12766%0.65571%0.705SS**  trans6.2139.2140.8176.40000116.7
373T41.1Very low34.9Very low117 Ų117126.9 Ų126.972%0.71870%0.704SS**  cis-141.314636.411.10000109.8
374S31.6Very low35.4Very low86 Ų86130 Ų13060%0.60171%0.708SS**  73.3143.359.6-43.70000115.8
375N31.3Very low35.7Very low133 Ų133130.8 Ų130.871%0.71171%0.712SS**  trans78.2121.1159.4-54.6-14.1000115.7
376T32.9Very low35.8Very low125 Ų125129.2 Ų129.277%0.76771%0.71SS**  94.2139.297.2530000112.8
377S34.1Very low35.6Very low79 Ų79131.4 Ų131.455%0.55272%0.717SS**  cis-172.5-173.9-2.2410000110.9
378E29.6Very low35.5Very low159 Ų159129.2 Ų129.274%0.74372%0.722SS**  trans85129.7138.9-86148.6-11100122.6
379I35.7Very low35.3Very low131 Ų131126.2 Ų126.267%0.67272%0.72SS**  trans76.380.6144.3-60.7164000116.7
380V36.6Very low35.6Very low139 Ų139130.6 Ų130.684%0.84274%0.738SS**  trans-60130.1133169.70000109.7
381T39.4Very low35.2Very low108 Ų108128.2 Ų128.266%0.66373%0.734SS**  trans-153.4118.1142.111.30000111.8
382E34.9Very low35.1Very low161 Ų161130.1 Ų130.175%0.75274%0.735SS**  trans39.7121.4138.3-56.7-172.4170.600120.5
383S36.3Very low34.8Very low105 Ų105130.5 Ų130.573%0.73474%0.737SS**  74.699.854.8-62.40000115.2
384K38.3Very low34.6Very low181 Ų181131 Ų13179%0.78775%0.746SS**  170.4164.7114.7-93.5158.6-175.7166.90114.3
385Q36Very low34.8Very low175 Ų175132 Ų13282%0.81875%0.748SS**  trans58.8117.6162.6-79.4156.1-78.300118.6
386S35.5Very low34.8Very low82 Ų82132.1 Ų132.157%0.57375%0.754SS**  cis101.1138.814.183.40000116.8
387F32.4Very low34.8Very low208 Ų208135.5 Ų135.591%0.91276%0.761SS**  trans75.9144.1168.1-58.8-65.4000117.9
388G35.2Very low34.8Very low70 Ų70136.6 Ų136.672%0.72277%0.774SS**  trans149.545.3-165.500000110.8
389A34.2Very low35.1Very low100 Ų100136.3 Ų136.383%0.82678%0.783SS**  trans-77.5122.2-175.600000110.5
390N39.6Very low35Very low164 Ų164135 Ų13588%0.87779%0.786SS**  trans-113.5163.2172.4-82.1-43.7000110.8
391N29.9Very low35.3Very low136 Ų136133.4 Ų133.473%0.72778%0.778SS**  trans-89.4177.5-155.4-162.230.3000114.8
392E33.8Very low35Very low166 Ų166135.6 Ų135.678%0.77679%0.786SS**  trans83.2141.5160.2-79.6145.3-119.300119.2
393V31.6Very low35.4Very low115 Ų115136.3 Ų136.370%0.69779%0.789SS**  trans-137.5138.7-165175.70000108.4T395V393-T395 HydrophobicContact CG1-CG2 4.2Å
394S38Very low35.6Very low129 Ų129134.3 Ų134.390%0.90277%0.773SS**  trans-153.178.3163.9-79.70000109.5
395T35.4Very low35.7Very low105 Ų105131.6 Ų131.664%0.64476%0.763SS**  trans-101.7127.5-177.147.20000112.3V393V393-T395 HydrophobicContact CG1-CG2 4.2Å
396T32.4Very low35.8Very low137 Ų137126.5 Ų126.584%0.8475%0.746SS**  trans62.7128.9145.355.70000120.5
397E31.4Very low36.1Very low196 Ų196127.8 Ų127.892%0.91675%0.75SS**  trans-64.2150.5168.9-48.9163.5114.800112.7
398A35.4Very low36.5Very low101 Ų101126 Ų12684%0.83575%0.745SS**  trans-169.273154.100000114.3
399V35.4Very low36.7Very low154 Ų154130.2 Ų130.293%0.93375%0.746SS**  trans-135.9142.4157-178.30000109.2
400S32.7Very low37Very low103 Ų103129 Ų12972%0.7274%0.743SS**  trans-113.2-178.1-167.5-161.20000111.1
401P43.8Very low37.2Very low106 Ų106129 Ų12969%0.68874%0.737SS**  -112.9167-67.334.8-24.5000111.5
402N33.3Very low38.1Very low154 Ų154127.4 Ų127.482%0.82474%0.743SS**  trans-97.3110.9168.2-121-25.2000110.2
403E41.9Very low39Very low175 Ų175126.9 Ų126.982%0.81874%0.738SS**  trans-71.2128.9174.1-62.1-171.8135.900109.8
404T40.9Very low39.7Very low64 Ų64129 Ų12939%0.39375%0.746SS.*  trans-130.9105.217560.20000110V1418 S1420T404-V1418 HydrophobicContact CG2-CB 3.69Å; T404-V1418 HydrophobicContact CG2-CG1 3.64Å; T404-S1420 WeakPolarHBondContact O-CB 3.3Å
405E41.8Very low41.1Very low124 Ų124129.3 Ų129.358%0.57974%0.737SS**  trans-49.1135.4177.958.8-162.1-16700114.8V1418 S1419 S1420E405-V1418 HydrophobicContact CG-CG2 4.04Å; E405-S1419 CarbonylContact O-C 3.48Å; E405-S1419 WeakPolarHBondContact O-CA 3.42Å; E405-S1419 WeakPolarHBondContact O-CB 3.41Å; E405-S1419 PolarHBondContact O-OG 2.81Å; E405-S1420 PolarHBondContact O-N 3.17Å
406S36.9Very low42.2Very low67 Ų67132 Ų13247%0.46975%0.748SS.*  trans-12299.1147.9-80.20000107.7E408 S1419 S1420S406-E408 PolarHBondContact O-N 2.87Å; S406-S1419 PolarHBondContact OG-OG 3.16Å; S406-S1420 VanDerWaalsContact CB-OG 3.23Å; S406-S1420 WeakPolarHBondContact CB-OG 3.4Å; S406-S1420 WeakPolarHBondContact OG-CA 3.46Å; S406-S1420 WeakPolarHBondContact OG-CB 3.34Å; S406-S1420 PolarHBondContact OG-N 3.31Å; S406-S1420 PolarHBondContact OG-O 3.31Å; S406-S1420 PolarHBondContact OG-OG 3.06Å
407V41.9Very low43.1Very low109 Ų109131.2 Ų131.266%0.66174%0.743SS**  trans-39.7121171.8177.10000111.6
408E40.5Very low43.6Very low172 Ų172132 Ų13280%0.80474%0.739SS**  trans65.2110.3140.2-142.4160.2150.400119.6S406 G410S406-E408 PolarHBondContact O-N 2.87Å; E408-G410 PolarHBondContact O-N 3.3Å
409E39.7Very low43.9Very low158 Ų158129.7 Ų129.774%0.73873%0.725SS**  trans-45.789.7156.3-177.5167.6-139.500112.5E411E409-E411 PolarHBondContact O-N 2.99Å; E409-E411 VanDerWaalsContact O-N 3.08Å
410G41.4Very low44.2Very low73 Ų73126.9 Ų126.975%0.75370%0.702SS**  trans-68.7101.4172.300000111.7E408 A412E408-G410 PolarHBondContact O-N 3.3Å; G410-A412 PolarHBondContact O-N 3.14Å
411E43.6Very low44.6Very low165 Ų165127.3 Ų127.377%0.77169%0.692SS**  trans-59.398.4171.3-72.7-166.6142.900111E409 K413E409-E411 PolarHBondContact O-N 2.99Å; E409-E411 VanDerWaalsContact O-N 3.08Å; E411-K413 PolarHBondContact O-N 3.33Å
412A47.6Very low44.5Very low102 Ų102124.6 Ų124.684%0.84368%0.676SS**  trans-68.799.4167.300000109G410G410-A412 PolarHBondContact O-N 3.14Å
413K54.1Low45Very low155 Ų155124.6 Ų124.667%0.67467%0.671SS**  trans-68.5143.1179-66.7-176.4178.2177.80111.5E411 D415E411-K413 PolarHBondContact O-N 3.33Å; K413-D415 PolarHBondContact O-N 3.46Å
414D46.1Very low45Very low160 Ų160125.7 Ų125.786%0.85668%0.676SS**  trans-6783.2159-76.7-44.2000109D416D414-D416 PolarHBondContact O-N 2.66Å
415D65.9Low45Very low136 Ų136129.9 Ų129.973%0.72770%0.696SS**  trans-74.869170-93.7-32.5000110.4K413 T417K413-D415 PolarHBondContact O-N 3.46Å; D415-T417 PolarHBondContact O-N 2.81Å
416D59.1Low45.2Very low161 Ų161132.2 Ų132.286%0.86171%0.707SS**  trans-71.243172.8-120.8-4.2000111.4D414D414-D416 PolarHBondContact O-N 2.66Å
417T51.9Low45.5Very low120 Ų120132.2 Ų132.274%0.73672%0.718SS**  trans-105.584.4-180-58.90000111D415 G419D415-T417 PolarHBondContact O-N 2.81Å; T417-G419 PolarHBondContact O-N 2.91Å; T417-G419 VanDerWaalsContact O-N 3.14Å
418Y41.2Very low45.3Very low213 Ų213132.7 Ų132.784%0.83572%0.721SS**  trans-62.2102.9175-164.5-98000112E420Y418-E420 HydrophobicContact CE1-CG 4.45Å
419G41.4Very low45.5Very low53 Ų53132 Ų13255%0.54672%0.721SS.*  trans-120.696.2-170.900000116.5T417 K1394T417-G419 PolarHBondContact O-N 2.91Å; T417-G419 VanDerWaalsContact O-N 3.14Å; G419-K1394 WeakPolarHBondContact O-CG 3.35Å
420E41.8Very low45.6Very low95 Ų95131.1 Ų131.144%0.44472%0.717SS.*  trans-87.6158.1174.8-76.4-65.1158.600113.6Y418 K1393 K1394Y418-E420 HydrophobicContact CE1-CG 4.45Å; E420-K1393 WeakPolarHBondContact O-CE 3.24Å; E420-K1394 VanDerWaalsContact CD-CE 3.41Å; E420-K1394 VanDerWaalsContact OE1-CE 3.31Å; E420-K1394 WeakPolarHBondContact OE1-CE 3.38Å; E420-K1394 IonicContact OE1-NZ 3.66Å; E420-K1394 PolarHBondContact OE1-NZ 2.96Å; E420-K1394 WeakPolarHBondContact OE2-CE 3.37Å; E420-K1394 IonicContact OE2-NZ 3.28Å; E420-K1394 PolarHBondContact OE2-NZ 3.37Å
421E41.7Very low45.4Very low111 Ų111134.9 Ų134.952%0.51972%0.715SS.*  cis-133.1-166.4-15.170.6-96.187.500109.3K1393E421-K1393 WeakPolarHBondContact O-CB 3.42Å; E421-K1393 WeakPolarHBondContact O-CD 3.46Å; E421-K1393 VanDerWaalsContact O-CE 3.3Å; E421-K1393 WeakPolarHBondContact O-CE 3.26Å; E421-K1393 WeakPolarHBondContact O-CG 3.41Å; E421-K1393 PolarHBondContact O-NZ 2.9Å; E421-K1393 WeakPolarHBondContact OE1-CE 3.34Å; E421-K1393 IonicContact OE1-NZ 3.52Å; E421-K1393 PolarHBondContact OE1-NZ 2.88Å
422S41.3Very low45.3Very low49 Ų49131.7 Ų131.734%0.34371%0.711SS.*  trans65.2120.3174.653.70000117.4K1393 K1394S422-K1393 PolarHBondContact OG-NZ 3.07Å; S422-K1394 WeakPolarHBondContact O-CB 3.49Å; S422-K1394 PolarHBondContact O-N 3.41Å; S422-K1394 VanDerWaalsContact O-N 3.16Å
423E43.4Very low44.7Very low154 Ų154132.1 Ų132.172%0.7271%0.708SS**  cis65.9100.135.1-48.7165.8-155.800115K1394E423-K1394 PolarHBondContact N-O 2.64Å
424E43.5Very low43.7Very low199 Ų199129.9 Ų129.993%0.9371%0.712SS**  trans-178.6108.9139.453.4-173.2172.300112.8
425N41Very low43.1Very low152 Ų152131.3 Ų131.381%0.81371%0.714SS**  trans-159.792.1144.9-171.483.3000110.6G427N425-G427 PolarHBondContact O-N 3.44Å
426E45.2Very low41.8Very low173 Ų173132 Ų13281%0.80872%0.717SS**  trans-55.9125.2169.2-72.9-73.5159.400110.6
427G43.5Very low40.8Very low67 Ų67134 Ų13469%0.69172%0.721SS**  trans-142.343.1-175.500000111.9N425 L429N425-G427 PolarHBondContact O-N 3.44Å; G427-L429 PolarHBondContact O-N 3.07Å
428V38.1Very low40.1Very low119 Ų119132.6 Ų132.672%0.72172%0.722SS**  trans-67.1128.7-178-179.70000110.5
429L44.7Very low39.7Very low156 Ų156130.9 Ų130.982%0.81773%0.727SS**  trans-144.1133.3162.3-155.4142.9000110.3G427G427-L429 PolarHBondContact O-N 3.07Å
430E40.1Very low39.2Very low141 Ų141133.2 Ų133.266%0.65974%0.735SS**  trans-30.2156.7166.2-35-59.2175.600115.2
431E37.5Very low38.7Very low151 Ų151133 Ų13371%0.70674%0.744SS**  cis-167-175.8-1.6-130.4179.8168.300108.1
432S42.3Very low38.2Very low99 Ų99139.9 Ų139.969%0.69277%0.766SS**  trans55.3100.8160.1-61.60000118
433S34.8Very low37.7Very low111 Ų111145.6 Ų145.678%0.77679%0.787SS**  60.389.869.386.10000117
434S34.2Very low37.1Very low108 Ų108143.4 Ų143.476%0.75578%0.784SS**  -176.3109.2120.460.20000112.1N436S434-N436 PolarHBondContact O-N 2.92Å
435E32.7Very low36.6Very low190 Ų190140.1 Ų140.189%0.88878%0.777SS**  trans-77104.8168.3-64.4170.3116.900109.4
436N39.4Very low36.3Very low150 Ų150140.6 Ų140.680%0.80278%0.78SS**  trans-125.983.1169.3-105.8-14.4000109.2S434 A438S434-N436 PolarHBondContact O-N 2.92Å; N436-A438 PolarHBondContact O-N 3.37Å
437E37.2Very low35.6Very low203 Ų203136.4 Ų136.495%0.94977%0.769SS**  trans-75.3112.2168.2-74.1-167.3165.600109.9
438A37.1Very low35.2Very low91 Ų91140 Ų14075%0.75277%0.773SS**  trans-144.861.1175.300000111N436 S440N436-A438 PolarHBondContact O-N 3.37Å; A438-S440 PolarHBondContact O-N 3.28Å
439D32.4Very low35Very low177 Ų177143.9 Ų143.995%0.94778%0.783SS**  trans-68.893.7172.9-115.4-20.3000111
440S32.2Very low34.5Very low102 Ų102144.9 Ų144.971%0.71378%0.784SS**  trans-169.1154.1153.6-148.70000113.5A438A438-S440 PolarHBondContact O-N 3.28Å
441S31Very low34.1Very low90 Ų90144 Ų14463%0.62979%0.793SS**  trans41.498.216049.40000116.5
442R29.8Very low33.8Very low256 Ų256143.7 Ų143.797%0.96679%0.792SS**  42.477.464.5-165.8-173.2-178.9170.42.1111.9
443E32.7Very low33.3Very low169 Ų169148 Ų14879%0.7980%0.798SS**  trans-132.9159.8170.1-135.4-171.4157.800110.3
444T29.7Very low33.2Very low107 Ų107152.7 Ų152.766%0.65680%0.804SS**  trans47.983.5153.4-50.10000116.7
445V33.1Very low33.1Very low130 Ų130151.1 Ų151.179%0.78880%0.798SS**  77.1118.889.1167.80000113.3
446D35.8Very low33.1Very low163 Ų163148.7 Ų148.787%0.87279%0.791SS**  trans-132.9122.3144.6-164-6.9000109.5
447S28.9Very low32.7Very low84 Ų84148 Ų14859%0.58779%0.787SS**  trans-175.8113.2170.51730000106.8
448N35.7Very low32.6Very low143 Ų143145.4 Ų145.477%0.76578%0.779SS**  174.7126.9126.4-84.5-22.9000111.5
449Q34.8Very low32.4Very low201 Ų201148.5 Ų148.594%0.93978%0.782SS**  trans-117.6159.1140.4-74.7-163.52.700109
450Q32.5Very low32.4Very low177 Ų177148.2 Ų148.283%0.82778%0.775SS**  trans-116.5121.4-152.5173.2-176.5-3100112.6
451S32.2Very low32.4Very low122 Ų122147.8 Ų147.885%0.85377%0.772SS**  trans-155.4166.8155.767.30000109.9
452Q32Very low32.4Very low145 Ų145152.5 Ų152.568%0.67878%0.781SS**  trans-133.3164.2-160.4-54179.3-17.500114.5
453K31.6Very low32.4Very low188 Ų188144.9 Ų144.982%0.81777%0.767SS**  trans66.193158.2-61.9170.2-177.8173.80118.3
454K31.8Very low32.3Very low210 Ų210142.4 Ų142.491%0.91377%0.768SS**  -172.1156.9108.2-121.1176.8176.9177.60113.5
455A32.2Very low32.1Very low75 Ų75146.3 Ų146.362%0.6278%0.776SS**  trans60.8110.2155.900000120
456N32.3Very low32Very low140 Ų140146.5 Ų146.575%0.74978%0.778SS**  trans70.1142.6139.8-48.3-11.5000119.5
457N32.7Very low31.5Very low135 Ų135146 Ų14672%0.72277%0.77SS**  cis-162.5137.4-30.7-106.9-19.2000108.1
458L34.4Very low31.4Very low149 Ų149149.7 Ų149.778%0.7878%0.776SS**  38.494.4128.3-143.873.2000116.9
459L32.1Very low30.9Very low155 Ų155149.6 Ų149.681%0.81278%0.78SS**  76.8143.480.9-88.6166.5000116.3
460E32.8Very low30.7Very low171 Ų171145.1 Ų145.180%0.79977%0.771SS**  trans93.9136.3146.2-160.8146.9-14000121.7
461S33.6Very low30.5Very low93 Ų93142.7 Ų142.765%0.6577%0.768SS**  trans71.1106.3155.4-78.60000123.4
462K30.3Very low30.2Very low189 Ų189142.1 Ų142.182%0.82277%0.765SS**  52.4112.8113.9-81.2-177.7175.4176.10120.5
463S30Very low30Very low96 Ų96140.3 Ų140.367%0.67177%0.768SS**  39.5109.8125.465.40000120.2
464S30.5Very low29.8Very low117 Ų117138.1 Ų138.182%0.81877%0.77SS**  trans84147.314284.10000120.4
465K25.9Very low29.7Very low189 Ų189133.9 Ų133.982%0.82277%0.767SS**  trans82.481.2149.8-142.6158.7-169.4171.30119.2
466V29.8Very low29.4Very low134 Ų134137.8 Ų137.881%0.81278%0.778SS**  53.1106.5128.9-1770000117
467Q25.5Very low29.2Very low152 Ų152142.8 Ų142.871%0.7179%0.786SS**  trans-135.8150.2144.3-77.4-157.30.400111.4
468K26.8Very low29.3Very low163 Ų163142.4 Ų142.471%0.70979%0.789SS**  trans64.179.2157.7-68.8149.6-177.5157.20116.4
469T25.9Very low29.2Very low141 Ų141139.8 Ų139.887%0.86579%0.788SS**  -13.5128.4123.948.70000114.9
470S30.3Very low29.3Very low107 Ų107136.8 Ų136.875%0.74879%0.786SS**  trans-124.9121.4161.1-670000110.9
471T28.7Very low29.4Very low125 Ų125135.1 Ų135.177%0.76778%0.778SS**  trans57.779.9138.8-35.90000118.4
472S24.8Very low29.4Very low111 Ų111135 Ų13578%0.77679%0.791SS**  6.2127.2128.755.10000119.5
473S28.9Very low29.6Very low107 Ų107132.4 Ų132.475%0.74878%0.78SS**  trans-155.7109.6143.147.90000113.3
474T26.4Very low30.1Very low141 Ų141138.6 Ų138.687%0.86579%0.789SS**  trans30.3118.4142.656.80000121.1
475S29.5Very low30.7Very low121 Ų121144.1 Ų144.185%0.84679%0.791SS**  -178.4149.8102.4-1670000112.2
476N26.1Very low31Very low157 Ų157141.9 Ų141.984%0.8478%0.783SS**  trans-110138.1-177.1-65.7-61.3000112.2
477R27.7Very low31.5Very low246 Ų246141.7 Ų141.793%0.92878%0.782SS**  trans-168.7157.1131.8-121.4-179.2-177.3-145.6-1.4116.7
478V35.4Very low32.1Very low127 Ų127141.3 Ų141.377%0.7778%0.78SS**  trans71.795.9166.6-172.40000117.8
479A32.9Very low32.8Very low93 Ų93139.7 Ų139.777%0.76978%0.784SS**  trans43.1100.6136.200000119.3
480A33.1Very low33.4Very low93 Ų93139 Ų13977%0.76977%0.774SS**  trans-70.8174.2150.600000111.6
481E34.7Very low33.9Very low136 Ų136140.2 Ų140.264%0.63678%0.78SS**  trans62.584.4170.2-52.5-150.2108.100116.6K483E481-K483 HydrophobicContact CB-CB 4.29Å; E481-K483 HydrophobicContact CB-CD 4.11Å; E481-K483 HydrophobicContact CG-CD 4.35Å; E481-K483 PolarHBondContact O-N 3.12Å; E481-K483 VanDerWaalsContact OE1-CD 3.26Å; E481-K483 WeakPolarHBondContact OE1-CD 3.49Å; E481-K483 WeakPolarHBondContact OE1-CE 3.5Å; E481-K483 IonicContact OE1-NZ 2.64Å; E481-K483 PolarHBondContact OE1-NZ 3.16Å; E481-K483 VanDerWaalsContact OE2-CD 3.24Å; E481-K483 WeakPolarHBondContact OE2-CD 3.37Å; E481-K483 IonicContact OE2-NZ 2.81Å; E481-K483 PolarHBondContact OE2-NZ 2.82Å
482G34.2Very low34.1Very low89 Ų89138.7 Ų138.792%0.91877%0.771SS**  trans-62.168.7140.800000110.4R484G482-R484 PolarHBondContact O-N 3.17Å
483K35.6Very low34.6Very low136 Ų136140.1 Ų140.159%0.59177%0.769SS**  trans-68.1125.3-175.6-153.893.6169.6-167.60109.2E481 R485E481-K483 HydrophobicContact CB-CB 4.29Å; E481-K483 HydrophobicContact CB-CD 4.11Å; E481-K483 HydrophobicContact CG-CD 4.35Å; E481-K483 PolarHBondContact O-N 3.12Å; E481-K483 VanDerWaalsContact OE1-CD 3.26Å; E481-K483 WeakPolarHBondContact OE1-CD 3.49Å; E481-K483 WeakPolarHBondContact OE1-CE 3.5Å; E481-K483 IonicContact OE1-NZ 2.64Å; E481-K483 PolarHBondContact OE1-NZ 3.16Å; E481-K483 VanDerWaalsContact OE2-CD 3.24Å; E481-K483 WeakPolarHBondContact OE2-CD 3.37Å; E481-K483 IonicContact OE2-NZ 2.81Å; E481-K483 PolarHBondContact OE2-NZ 2.82Å; K483-R485 PolarHBondContact O-N 3.48Å
484R40.4Very low34.9Very low226 Ų226140.1 Ų140.185%0.85377%0.765SS**  trans-51.3103.1173.3-64.5160.162.6153.50.9110.1G482G482-R484 PolarHBondContact O-N 3.17Å
485R41.3Very low35.4Very low233 Ų233140.6 Ų140.688%0.87976%0.761SS**  trans-87.1129.5161.4-68-173.5-176.3171.72.5107.6K483 V487K483-R485 PolarHBondContact O-N 3.48Å; R485-V487 PolarHBondContact O-N 2.95Å
486H33Very low35.6Very low141 Ų141143 Ų14365%0.65376%0.764SS**  trans-63.5126.8168.6-81.2-143.3000108.7E488H486-E488 HydrophobicContact CB-CG 4.47Å; H486-E488 IonicContact CE1-OE1 3.62Å; H486-E488 IonicContact CG-OE1 2.66Å; H486-E488 IonicContact ND1-OE1 3.15Å; H486-E488 PolarHBondContact ND1-OE1 3.05Å
487V40.5Very low36.4Very low130 Ų130140.6 Ų140.679%0.78876%0.757SS**  trans-118.993.3151.81780000104.8R485 V489R485-V487 PolarHBondContact O-N 2.95Å; V487-V489 HydrophobicContact CG1-CG2 4.31Å; V487-V489 PolarHBondContact O-N 3.3Å
488E37.9Very low36.6Very low144 Ų144136.9 Ų136.967%0.67375%0.752SS**  trans-76.3112.8172-73.1161.3-157.100107.7H486H486-E488 HydrophobicContact CB-CG 4.47Å; H486-E488 IonicContact CE1-OE1 3.62Å; H486-E488 IonicContact CG-OE1 2.66Å; H486-E488 IonicContact ND1-OE1 3.15Å; H486-E488 PolarHBondContact ND1-OE1 3.05Å
489V40.6Very low36.5Very low130 Ų130136.5 Ų136.579%0.78876%0.755SS**  trans-100.5115.4160.2-177.30000106.3V487V487-V489 HydrophobicContact CG1-CG2 4.31Å; V487-V489 PolarHBondContact O-N 3.3Å
490L40.4Very low36.6Very low125 Ų125138 Ų13865%0.65476%0.755SS**  trans-63.7149.3-174.8-66.4160000110.9T492L490-T492 WeakPolarHBondContact CB-OG1 3.46Å; L490-T492 PolarHBondContact O-N 3.14Å
491P40.7Very low36.3Very low133 Ų133142.2 Ų142.286%0.86476%0.759SS**  trans-70.460.7169.6-19.334.1000113
492T32.1Very low35.9Very low94 Ų94144 Ų14458%0.57777%0.765SS**  trans-92.1142.1178-38.70000110L490L490-T492 WeakPolarHBondContact CB-OG1 3.46Å; L490-T492 PolarHBondContact O-N 3.14Å
493D34.7Very low35.7Very low140 Ų140145.4 Ų145.475%0.74975%0.751SS**SBendtrans52.759.6174.4-54-26.6000114.7
494T35.2Very low35.9Very low107 Ų107145.6 Ų145.666%0.65675%0.754SS**  57.412280.481.30000115.2
495L37.1Very low35.7Very low151 Ų151142.4 Ų142.479%0.79175%0.749SS**  trans49.5104.1151-55174.1000117.9P497L495-P497 VanDerWaalsContact O-CD 3.28Å; L495-P497 WeakPolarHBondContact O-CD 3.48Å
496L34.3Very low35.5Very low173 Ų173142.5 Ų142.591%0.90675%0.749SS**  trans-67.5117.8135.1-76.3176.1000107.6
497P42.5Very low35.3Very low106 Ų106139 Ų13969%0.68875%0.751SS**  trans-69.3137.8171.2-13.830.3000109.3L495 S499L495-P497 VanDerWaalsContact O-CD 3.28Å; L495-P497 WeakPolarHBondContact O-CD 3.48Å; P497-S499 PolarHBondContact O-N 2.82Å; P497-S499 VanDerWaalsContact O-N 3.11Å
498M32.6Very low35.3Very low167 Ų167138.5 Ų138.582%0.82375%0.75SS**  trans-71.1105.9168.5-64-170-54.200109.7T500M498-T500 PolarHBondContact O-N 2.71Å
499S33Very low34.9Very low120 Ų120140.1 Ų140.184%0.83976%0.763SS**SBendtrans33.658.514563.30000117.9P497P497-S499 PolarHBondContact O-N 2.82Å; P497-S499 VanDerWaalsContact O-N 3.11Å
500T33.8Very low34.8Very low125 Ų125141.2 Ų141.277%0.76776%0.763SS**  trans-134.1127.1150.655.60000104.7M498M498-T500 PolarHBondContact O-N 2.71Å
501E28.8Very low34.8Very low180 Ų180140.5 Ų140.584%0.84177%0.766SS**  cis-152.3130.745.2-175.6162.5-128.700109.7D503E501-D503 PolarHBondContact O-N 3.25Å
502F25.7Very low34.4Very low174 Ų174140.2 Ų140.276%0.76376%0.762SS**  trans-96.563.3-179-161.5-93.9000110.4H504F502-H504 HydrophobicContact CD1-CB 4.11Å; F502-H504 HydrophobicContact CE1-CB 3.83Å; F502-H504 AromaticContact CE1-CD2 3.45Å; F502-H504 VanDerWaalsContact CE1-CD2 3.45Å; F502-H504 WeakPolarHBondContact CE1-CD2 3.17Å; F502-H504 AromaticContact CE1-CG 3.61Å; F502-H504 AromaticContact CE2-NE2 3.94Å; F502-H504 AromaticContact CZ-CD2 3.31Å; F502-H504 WeakPolarHBondContact CZ-CD2 3.35Å; F502-H504 AromaticContact CZ-CG 3.88Å; F502-H504 AromaticContact CZ-NE2 3.6Å; F502-H504 PolarHBondContact O-N 3.35Å
503D30.4Very low34.8Very low119 Ų119141.8 Ų141.864%0.63677%0.774SS**  trans-77.1107.5171.3-166.1-7.3000109.3E501 E505E501-D503 PolarHBondContact O-N 3.25Å; D503-E505 PolarHBondContact OD1-N 2.88Å
504H39.9Very low34.9Very low140 Ų140140.8 Ų140.865%0.64877%0.773SS**  trans-129.538.4179.9-90.924000111F502F502-H504 HydrophobicContact CD1-CB 4.11Å; F502-H504 HydrophobicContact CE1-CB 3.83Å; F502-H504 AromaticContact CE1-CD2 3.45Å; F502-H504 VanDerWaalsContact CE1-CD2 3.45Å; F502-H504 WeakPolarHBondContact CE1-CD2 3.17Å; F502-H504 AromaticContact CE1-CG 3.61Å; F502-H504 AromaticContact CE2-NE2 3.94Å; F502-H504 AromaticContact CZ-CD2 3.31Å; F502-H504 WeakPolarHBondContact CZ-CD2 3.35Å; F502-H504 AromaticContact CZ-CG 3.88Å; F502-H504 AromaticContact CZ-NE2 3.6Å; F502-H504 PolarHBondContact O-N 3.35Å
505E35Very low34.8Very low158 Ų158143 Ų14374%0.73878%0.781SS**THydrogen-bonded Turntrans-61.4139.9163.9-88.3-63.3156.700111.9D503D503-E505 PolarHBondContact OD1-N 2.88Å
506R37.1Very low34.9Very low236 Ų236142 Ų14289%0.89178%0.78SS**THydrogen-bonded Turntrans82.89.5170.9-51.5-178.9-175.3-177.12.4121
507G29.5Very low35Very low67 Ų67138.9 Ų138.969%0.69177%0.765SS**  trans47-146.114200000119.2
508P40.1Very low34.6Very low119 Ų119145.5 Ų145.577%0.77378%0.776SS**  cis-107.2117.6-10.635.2-22.3000112.5L510P508-L510 PolarHBondContact O-N 3.46Å
509L30.5Very low34.6Very low178 Ų178146.8 Ų146.893%0.93277%0.771SS**  trans-73.5109.3162.4-77173.5000109.1
510L37.5Very low34.7Very low154 Ų154149.2 Ų149.281%0.80677%0.769SS**PPolyproline II helixtrans-64.4152.3169.3-76170.1000110.5P508P508-L510 PolarHBondContact O-N 3.46Å
511P39.6Very low34.6Very low109 Ų109150.3 Ų150.371%0.70877%0.77SS**PPolyproline II helixtrans-75151.4-142.5-22.334.8000115.2
512T32.3Very low34.8Very low128 Ų128152.2 Ų152.279%0.78577%0.769SS**PPolyproline II helixtrans-54.9128.7156.634.50000109.4V514T512-V514 PolarHBondContact O-N 2.93Å; T512-V514 VanDerWaalsContact O-N 3.11Å
513P41.7Very low35.2Very low126 Ų126152 Ų15282%0.81877%0.768SS**PPolyproline II helixtrans-65.4116.3175.426.2-32.4000108.8
514V36Very low35.3Very low120 Ų120157.5 Ų157.573%0.72778%0.78SS**PPolyproline II helixtrans-56.7141.6175.1174.40000109.4T512 V516T512-V514 PolarHBondContact O-N 2.93Å; T512-V514 VanDerWaalsContact O-N 3.11Å; V514-V516 WeakPolarHBondContact O-CG2 3.23Å; V514-V516 PolarHBondContact O-N 3.38Å
515D34.5Very low34.8Very low154 Ų154157.9 Ų157.982%0.82479%0.787SS**  trans-61.196.8170.6-168.38.1000109D517D515-D517 PolarHBondContact O-N 3.21Å
516V39.2Very low34.7Very low129 Ų129155.7 Ų155.778%0.78280%0.796SS**  trans-73.296.3-173.9-179.20000108.3V514 R518V514-V516 WeakPolarHBondContact O-CG2 3.23Å; V514-V516 PolarHBondContact O-N 3.38Å; V516-R518 PolarHBondContact O-N 3.34Å
517D36.1Very low34.2Very low108 Ų108147.2 Ų147.258%0.57878%0.782SS**  trans-43.1137.8-177.8-173.811.1000111.4D515 R519D515-D517 PolarHBondContact O-N 3.21Å; D517-R519 PolarHBondContact O-N 2.64Å
518R34.6Very low34.2Very low245 Ų245151.1 Ų151.193%0.92579%0.787SS**SBendtrans-76.230.2-156.7-147.3174.4-172.4-179.42.2113.4V516V516-R518 PolarHBondContact O-N 3.34Å
519R31.4Very low33.9Very low193 Ų193154.1 Ų154.173%0.72880%0.797SS**  trans-13421.6-158.9-72.6-176.5175.1161.7-0.5115.4D517D517-R519 PolarHBondContact O-N 2.64Å
520H34.9Very low34.1Very low172 Ų172153.2 Ų153.280%0.79679%0.792SS**  trans-147.184.6156.8-81.6-33.2000113.4R522H520-R522 PolarHBondContact O-N 3.14Å
521L32.3Very low33.8Very low147 Ų147151.1 Ų151.177%0.7779%0.79SS**  trans-7174.9163.4-173.967.7000110.1F523L521-F523 HydrophobicContact CD1-CE2 4.5Å; L521-F523 HydrophobicContact CD2-CE2 3.79Å; L521-F523 HydrophobicContact CD2-CZ 3.96Å; L521-F523 HydrophobicContact CG-CD2 4.28Å; L521-F523 HydrophobicContact CG-CE2 3.83Å; L521-F523 HydrophobicContact CG-CZ 4.21Å
522R31.7Very low33.3Very low221 Ų221153 Ų15383%0.83479%0.793SS**  trans-9990.2171.8-79-74.9-178.5158.8-1.7108.9H520 R524H520-R522 PolarHBondContact O-N 3.14Å; R522-R524 PolarHBondContact O-N 2.75Å
523F34.3Very low33.1Very low169 Ų169155.5 Ų155.574%0.74179%0.794SS**  trans-46.5131.9174.4-68.6-94.1000112L521L521-F523 HydrophobicContact CD1-CE2 4.5Å; L521-F523 HydrophobicContact CD2-CE2 3.79Å; L521-F523 HydrophobicContact CD2-CZ 3.96Å; L521-F523 HydrophobicContact CG-CD2 4.28Å; L521-F523 HydrophobicContact CG-CE2 3.83Å; L521-F523 HydrophobicContact CG-CZ 4.21Å
524R32.4Very low32.4Very low234 Ų234155.4 Ų155.488%0.88379%0.793SS**  trans-141.7126.2156.9-148.7173.2-164.3155.78.3109.2R522R522-R524 PolarHBondContact O-N 2.75Å
525N30.5Very low31.9Very low149 Ų149153.1 Ų153.180%0.79779%0.793SS**  trans-74.4135.5-164.2-54.9-17.9000111.4
526A31.9Very low31.5Very low112 Ų112151.6 Ų151.693%0.92679%0.794SS**  trans-128.171.3165.200000108
527G27.1Very low30.9Very low58 Ų58150.7 Ų150.760%0.59880%0.799SS**  trans-167.2151.4-178.400000110.8
528N30.6Very low30.7Very low149 Ų149151.7 Ų151.780%0.79781%0.809SS**  trans70.781.7179.7-55.76.1000116.2
529D33.1Very low30.5Very low182 Ų182144.4 Ų144.497%0.97380%0.802SS**  -11067.8129.4-90-46.8000108.2
530L34.3Very low30.7Very low158 Ų158141 Ų14183%0.82781%0.805SS**  trans-110134.7164-96.6174.2000108.5
531S32.5Very low30.4Very low111 Ų111140 Ų14078%0.77680%0.8SS**  trans-80.5127.2-16437.60000114.1
532L28.2Very low30.3Very low147 Ų147140.1 Ų140.177%0.7780%0.8SS**  58.178.3124.1-158.386.8000117.5
533F29Very low30.5Very low182 Ų182134.5 Ų134.580%0.79879%0.792SS**  -175.1140105.4-114-84.3000112.1
534P25.4Very low30.6Very low124 Ų124131.9 Ų131.981%0.80579%0.786SS**  trans-89125.9170.1150.9000111.3
535G25.9Very low31.2Very low71 Ų71126.2 Ų126.273%0.73278%0.777SS**  trans-154.799.617700000112.6
536C26.4Very low31.7Very low123 Ų123125.7 Ų125.783%0.83177%0.773SS**  trans49.195.7165.1-60.10000118T538C536-T538 PolarHBondContact O-N 3.36Å
537A27.2Very low32Very low109 Ų109126.8 Ų126.890%0.90176%0.759SS**  trans-71.9106.6159.500000110.7
538T31.6Very low32.6Very low129 Ų129126.8 Ų126.879%0.79175%0.753SS**  trans-132.1132.7156.336.30000107.9C536C536-T538 PolarHBondContact O-N 3.36Å
539A30Very low32.9Very low92 Ų92122 Ų12276%0.7673%0.734SS**  trans-70140.2-170.500000111.5H541A539-H541 PolarHBondContact O-N 3.24Å
540P35.2Very low33.3Very low122 Ų122116 Ų11679%0.79271%0.711SS**  trans-65.1107.7171.527.2-32.9000109.2I542P540-I542 PolarHBondContact O-N 3.46Å; P540-I542 VanDerWaalsContact O-N 3.13Å
541H28.9Very low33.6Very low152 Ų152114.8 Ų114.870%0.70470%0.704SS**  trans-60.2112.5-179.7174.3-72.4000110.3A539A539-H541 PolarHBondContact O-N 3.24Å
542I31.1Very low34.1Very low149 Ų149117.7 Ų117.776%0.76471%0.707SS**PPolyproline II helixtrans-56.7123177.3-61.8172.9000108.3P540 N544P540-I542 PolarHBondContact O-N 3.46Å; P540-I542 VanDerWaalsContact O-N 3.13Å; I542-N544 PolarHBondContact O-N 3.18Å
543P35.9Very low34.5Very low102 Ų102113.8 Ų113.866%0.66269%0.693SS**PPolyproline II helixtrans-63.3129-170.324-33.6000110.9V545P543-V545 PolarHBondContact O-N 2.8Å
544N35.8Very low34.6Very low114 Ų114108.7 Ų108.761%0.6169%0.692SS**PPolyproline II helixtrans-73.2129.8-174.4-166-9.1000109.8I542 L546 E547I542-N544 PolarHBondContact O-N 3.18Å; N544-L546 PolarHBondContact O-N 2.91Å; N544-E547 PolarHBondContact O-N 3.16Å; N544-E547 VanDerWaalsContact O-N 3.12Å
545V44.9Very low34.8Very low115 Ų115109.9 Ų109.970%0.69769%0.69SS**Hα-helixtrans-60.2-17-166.4-160.90000113.2P543 E547 A548 A549P543-V545 PolarHBondContact O-N 2.8Å; V545-E547 VanDerWaalsContact C-N 3.3Å; V545-E547 PolarHBondContact O-N 2.88Å; V545-A548 PolarHBondContact O-N 2.95Å; V545-A549 PolarHBondContact O-N 3.37Å
546L40.3Very low35Very low139 Ų139111.7 Ų111.773%0.72869%0.69SS**Hα-helixtrans-59.2-34.1175.8-15771.4000113.6N544 A549 A550N544-L546 PolarHBondContact O-N 2.91Å; L546-A549 PolarHBondContact O-N 2.64Å; L546-A550 PolarHBondContact O-N 3.05Å
547E38.5Very low35.3Very low135 Ų135111.7 Ų111.763%0.63169%0.689SS**Hα-helixtrans-73.8-38.9178.3-172.3172.5-155.300111.8N544 V545 A549 A550 L551N544-E547 PolarHBondContact O-N 3.16Å; N544-E547 VanDerWaalsContact O-N 3.12Å; V545-E547 VanDerWaalsContact C-N 3.3Å; V545-E547 PolarHBondContact O-N 2.88Å; E547-A549 VanDerWaalsContact C-N 3.29Å; E547-A549 PolarHBondContact O-N 3.42Å; E547-A550 WeakPolarHBondContact O-CB 3.42Å; E547-A550 PolarHBondContact O-N 3.08Å; E547-A550 VanDerWaalsContact O-N 3.14Å; E547-L551 PolarHBondContact O-N 3.07Å
548A39.1Very low35.2Very low57 Ų57112.2 Ų112.247%0.47169%0.686SS.*Hα-helixtrans-62.8-37.4171.400000111.6V545 L551 M552V545-A548 PolarHBondContact O-N 2.95Å; A548-L551 PolarHBondContact O-N 3.34Å; A548-M552 PolarHBondContact O-N 2.89Å
549A38.5Very low35.2Very low48 Ų48112.6 Ų112.640%0.39768%0.683SS.*Hα-helixtrans-65.7-35.7172.900000112.5V545 L546 E547 S553V545-A549 PolarHBondContact O-N 3.37Å; L546-A549 PolarHBondContact O-N 2.64Å; E547-A549 VanDerWaalsContact C-N 3.29Å; E547-A549 PolarHBondContact O-N 3.42Å; A549-S553 VanDerWaalsContact O-CB 3.23Å; A549-S553 WeakPolarHBondContact O-CB 3.06Å; A549-S553 PolarHBondContact O-N 3.29Å; A549-S553 PolarHBondContact O-OG 2.91Å
550A40Very low35.3Very low58 Ų58118.5 Ų118.548%0.47969%0.692SS.*Hα-helixtrans-67.6-41.817400000112.2L546 E547 S553L546-A550 PolarHBondContact O-N 3.05Å; E547-A550 WeakPolarHBondContact O-CB 3.42Å; E547-A550 PolarHBondContact O-N 3.08Å; E547-A550 VanDerWaalsContact O-N 3.14Å; A550-S553 CarbonylContact O-C 3.25Å; A550-S553 PolarHBondContact O-N 3.43Å
551L41.4Very low35.2Very low131 Ų131117.8 Ų117.869%0.68669%0.687SS**Hα-helixtrans-68.7-31.4176.8-69.1173.8000113.3E547 A548E547-L551 PolarHBondContact O-N 3.07Å; A548-L551 PolarHBondContact O-N 3.34Å
552M43.7Very low35.1Very low172 Ų172116.3 Ų116.385%0.84769%0.694SS**Hα-helixtrans-78.7-25171.4-70.5-160.672.500113.4A548 G554A548-M552 PolarHBondContact O-N 2.89Å; M552-G554 PolarHBondContact O-N 3.35Å; M552-G554 VanDerWaalsContact O-N 3.15Å
553S36Very low35.2Very low66 Ų66117.5 Ų117.546%0.46270%0.698SS.*THydrogen-bonded Turntrans-83.881173.6-58.80000109.3A549 A550 L555A549-S553 VanDerWaalsContact O-CB 3.23Å; A549-S553 WeakPolarHBondContact O-CB 3.06Å; A549-S553 PolarHBondContact O-N 3.29Å; A549-S553 PolarHBondContact O-OG 2.91Å; A550-S553 CarbonylContact O-C 3.25Å; A550-S553 PolarHBondContact O-N 3.43Å; S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 WeakPolarHBondContact O-CB 3.43Å; S553-L555 WeakPolarHBondContact O-CG 3.49Å; S553-L555 PolarHBondContact O-N 3.43Å
554G31Very low35Very low75 Ų75119.7 Ų119.777%0.77370%0.704SS**THydrogen-bonded Turntrans-52.676.8-168.500000116.8M552M552-G554 PolarHBondContact O-N 3.35Å; M552-G554 VanDerWaalsContact O-N 3.15Å
555L30Very low34.7Very low148 Ų148120.7 Ų120.778%0.77572%0.717SS**  trans-127.347.1-173-66.5174.5000110.4S553 P557S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 WeakPolarHBondContact O-CB 3.43Å; S553-L555 WeakPolarHBondContact O-CG 3.49Å; S553-L555 PolarHBondContact O-N 3.43Å; L555-P557 WeakPolarHBondContact O-CD 3.24Å
556C29.2Very low34.1Very low109 Ų109119.3 Ų119.374%0.73671%0.712SS**  trans-110.692171.5-67.40000110S558C556-S558 PolarHBondContact O-N 2.98Å
557P33Very low33.7Very low123 Ų123120.2 Ų120.280%0.79972%0.718SS**  trans-65.5117172.9-17.331.6000110.2L555 L559L555-P557 WeakPolarHBondContact O-CD 3.24Å; P557-L559 PolarHBondContact O-N 3.5Å
558S26Very low33.5Very low120 Ų120121.2 Ų121.284%0.83973%0.727SS**  trans-72.193.5175.558.60000110.7C556C556-S558 PolarHBondContact O-N 2.98Å
559L30.9Very low33.1Very low138 Ų138124.7 Ų124.772%0.72374%0.737SS**  trans-163.586.2176.3-114.9166.7000113P557P557-L559 PolarHBondContact O-N 3.5Å
560F31.8Very low32.7Very low216 Ų216130.6 Ų130.695%0.94776%0.762SS**  trans-154.2100.7151.6-92.2-60000111.5
561P33.2Very low32.3Very low106 Ų106134 Ų13469%0.68878%0.776SS**  trans-73.5151.1172.3-15.731.2000112.3M563P561-M563 PolarHBondContact O-N 3.18Å
562S27.3Very low31.7Very low122 Ų122133.7 Ų133.785%0.85378%0.775SS**  trans-73.5112175.353.20000112.4
563M33.7Very low31Very low174 Ų174136.9 Ų136.986%0.85778%0.777SS**  trans-135.1140.4164.1-69.1-148.17700111.6P561 P565P561-M563 PolarHBondContact O-N 3.18Å; M563-P565 WeakPolarHBondContact O-CD 3.06Å
564N29.8Very low30.4Very low148 Ų148138 Ų13879%0.79178%0.784SS**  trans-74.2124.5-169.9-85.8-62000113.7S566N564-S566 PolarHBondContact O-N 2.78Å
565P30.5Very low30.5Very low134 Ų134140.1 Ų140.187%0.8778%0.784SS**  trans-9182.8173.135.1-32000111.3M563M563-P565 WeakPolarHBondContact O-CD 3.06Å
566S31.5Very low30.6Very low87 Ų87138.4 Ų138.461%0.60878%0.782SS**  trans-139.641.2-172.454.60000115.5N564N564-S566 PolarHBondContact O-N 2.78Å
567N31.9Very low30.6Very low158 Ų158139 Ų13985%0.84578%0.783SS**SBendtrans-144.815.7-179-102.6-36.2000117.7
568L34.7Very low30.5Very low156 Ų156139.3 Ų139.382%0.81778%0.777SS**  trans-126.523.7178.2-72.8177.8000115.2N570L568-N570 VanDerWaalsContact C-N 3.29Å; L568-N570 PolarHBondContact O-N 3.38Å
569L31Very low30.7Very low129 Ų129143 Ų14368%0.67578%0.779SS**G310 helixtrans-846176-74.3167.7000114.6L572L569-L572 HydrophobicContact CD2-CD1 3.71Å; L569-L572 HydrophobicContact CD2-CG 4.17Å
570N29.8Very low30.5Very low172 Ų172140.5 Ų140.592%0.9278%0.778SS**G310 helixtrans-87.23.9179.7-85.66.5000115L568L568-N570 VanDerWaalsContact C-N 3.29Å; L568-N570 PolarHBondContact O-N 3.38Å
571T32.5Very low30.6Very low129 Ų129134.9 Ų134.979%0.79176%0.763SS**G310 helixtrans-111.318.5169.62.40000113.2R573T571-R573 PolarHBondContact O-N 3.27Å
572L28.4Very low31Very low125 Ų125135.6 Ų135.665%0.65477%0.767SS**  trans-71.277.7165.1-73.3-175.5000111L569L569-L572 HydrophobicContact CD2-CD1 3.71Å; L569-L572 HydrophobicContact CD2-CG 4.17Å
573R28.4Very low31.3Very low239 Ų239138.2 Ų138.290%0.90276%0.764SS**  trans-115.260.6159-163.1175.9-172.7156.73109.9T571T571-R573 PolarHBondContact O-N 3.27Å
574C23.5Very low31.4Very low90 Ų90134.9 Ų134.961%0.60876%0.756SS**  trans-58.2148.6162.7-50.10000109.1
575P34.5Very low31.9Very low119 Ų119133.8 Ų133.877%0.77375%0.751SS**  -95.3160.791.326.2-35.6000113
576P30.2Very low32.3Very low113 Ų113134.8 Ų134.873%0.73475%0.748SS**  trans-94.5-166.6176.436.8-29.1000111.9
577V30.8Very low32.9Very low122 Ų122140.1 Ų140.174%0.73976%0.761SS**  trans100.7132.8167.6-173.30000115.7
578D30.5Very low33.4Very low128 Ų128138.5 Ų138.568%0.68475%0.752SS**  trans62.992167.3-58.4-15.7000123.6
579F29.5Very low34Very low198 Ų198138.1 Ų138.187%0.86875%0.75SS**  32.1101.8109.9-67.3-78.7000118.4
580A26.4Very low34.9Very low85 Ų85136.2 Ų136.270%0.70275%0.745SS**  170.1122.290.900000111
581P33.7Very low35.9Very low99 Ų99132.7 Ų132.764%0.64373%0.726SS**  trans-73131.7174.329.8-33000110.6F583P581-F583 HydrophobicContact CG-CD2 4.31Å; P581-F583 HydrophobicContact CG-CE2 3.94Å; P581-F583 PolarHBondContact O-N 3.39Å
582P42.5Very low36.8Very low120 Ų120131.1 Ų131.178%0.77972%0.718SS**  trans-7298.7178.428.5-33.9000111C584P582-C584 PolarHBondContact O-N 3.31Å
583F34.1Very low38.2Very low177 Ų177130.5 Ų130.578%0.77671%0.714SS**  trans-73.362.8168-81.2-81.8000111.4P581P581-F583 HydrophobicContact CG-CD2 4.31Å; P581-F583 HydrophobicContact CG-CE2 3.94Å; P581-F583 PolarHBondContact O-N 3.39Å
584C35.5Very low39.9Very low104 Ų104124.7 Ų124.770%0.70370%0.698SS**  trans-13175.5-176.8-71.40000111.2P582P582-C584 PolarHBondContact O-N 3.31Å
585D39.3Very low41.8Very low125 Ų125125 Ų12567%0.66869%0.692SS**  trans-163.2-5.5160.1-114.6-24.9000115.8F587 N588D585-F587 PolarHBondContact O-N 2.97Å; D585-N588 PolarHBondContact O-ND2 2.93Å; D585-N588 PolarHBondContact OD1-ND2 3.25Å
586L39Very low43Very low155 Ų155125.3 Ų125.381%0.81268%0.683SS**THydrogen-bonded Turntrans-73.3-0176.5-83.9117.3000115N588L586-N588 VanDerWaalsContact C-N 3.29Å; L586-N588 PolarHBondContact O-N 3.29Å
587F43.9Very low44.6Very low200 Ų200126.8 Ų126.888%0.87768%0.678SS**THydrogen-bonded Turntrans-83.71.5174.8-78-72.4000114.3D585 L589D585-F587 PolarHBondContact O-N 2.97Å; F587-L589 PolarHBondContact O-N 3.42Å
588N43.4Very low46Very low124 Ų124127 Ų12766%0.66367%0.671SS**  trans-78.134.3174.5-66-61.9000114D585 L586D585-N588 PolarHBondContact O-ND2 2.93Å; D585-N588 PolarHBondContact OD1-ND2 3.25Å; L586-N588 VanDerWaalsContact C-N 3.29Å; L586-N588 PolarHBondContact O-N 3.29Å
589L46.4Very low47.8Very low148 Ų148126.1 Ų126.178%0.77567%0.665SS**SBendtrans-81.5121.4165-77.3173.3000108.6F587 N591F587-L589 PolarHBondContact O-N 3.42Å; L589-N591 PolarHBondContact O-N 3.36Å
590P51.2Low49Very low89 Ų89121.5 Ų121.558%0.57865%0.65SS**PPolyproline II helixtrans-63.9133.6-172.825-33.9000111.5
591N49.6Very low50.1Low98 Ų98122.3 Ų122.352%0.52465%0.649SS.*PPolyproline II helixtrans-60.2124.2-174.7-175.3-23.1000110.4L589 I593 E594L589-N591 PolarHBondContact O-N 3.36Å; N591-I593 PolarHBondContact O-N 3.01Å; N591-I593 WeakPolarHBondContact OD1-CG1 3.36Å; N591-I593 PolarHBondContact OD1-N 3.36Å; N591-E594 WeakPolarHBondContact O-CB 2.91Å; N591-E594 PolarHBondContact O-N 2.88Å
592P52.8Low50.9Low95 Ų95124.7 Ų124.762%0.61766%0.655SS**Hα-helixtrans-59.8-16.6-171.221.6-34.2000115E594 I595 Q596P592-E594 PolarHBondContact O-N 2.75Å; P592-I595 PolarHBondContact O-N 3.18Å; P592-Q596 PolarHBondContact O-N 3.18Å
593I57.4Low50.7Low112 Ų112127.1 Ų127.157%0.57465%0.654SS**Hα-helixtrans-54.3-35.6170.1-63172.4000111.5N591 Q596 K597N591-I593 PolarHBondContact O-N 3.01Å; N591-I593 WeakPolarHBondContact OD1-CG1 3.36Å; N591-I593 PolarHBondContact OD1-N 3.36Å; I593-Q596 PolarHBondContact O-N 3.11Å; I593-K597 PolarHBondContact O-N 3.03Å
594E64.7Low50.9Low118 Ų118126 Ų12655%0.55165%0.652SS**Hα-helixtrans-73.7-36.4-175.8-159.8152-11500112.4N591 P592 K597 Q598N591-E594 WeakPolarHBondContact O-CB 2.91Å; N591-E594 PolarHBondContact O-N 2.88Å; P592-E594 PolarHBondContact O-N 2.75Å; E594-K597 WeakPolarHBondContact O-CB 3.34Å; E594-K597 PolarHBondContact O-N 2.92Å; E594-Q598 WeakPolarHBondContact O-CG 2.96Å; E594-Q598 PolarHBondContact O-N 2.89Å
595I62Low51Low95 Ų95128.5 Ų128.549%0.48766%0.659SS.*Hα-helixtrans-63.4-43.8171.3-59.1174000110P592 K597 Q598 I599P592-I595 PolarHBondContact O-N 3.18Å; I595-K597 VanDerWaalsContact C-N 3.28Å; I595-K597 PolarHBondContact O-N 3.08Å; I595-Q598 PolarHBondContact O-N 3.15Å; I595-I599 HydrophobicContact CG2-CD1 4.08Å; I595-I599 WeakPolarHBondContact O-CG1 3.04Å; I595-I599 PolarHBondContact O-N 3.48Å
596Q60.7Low50.7Low126 Ų126128.3 Ų128.359%0.58967%0.666SS**Hα-helixtrans-64.8-33.3176.2-167170.516.600112.3P592 I593 I599 N600P592-Q596 PolarHBondContact O-N 3.18Å; I593-Q596 PolarHBondContact O-N 3.11Å; Q596-I599 PolarHBondContact O-N 2.89Å; Q596-N600 PolarHBondContact O-N 2.96Å; Q596-N600 VanDerWaalsContact O-N 3.09Å
597K63.2Low50.4Low144 Ų144129.1 Ų129.163%0.62667%0.666SS**Hα-helixtrans-63.2-46.4173.1-135.7175.7-174.41800111.5I593 E594 I595 I599 N600 C601I593-K597 PolarHBondContact O-N 3.03Å; E594-K597 WeakPolarHBondContact O-CB 3.34Å; E594-K597 PolarHBondContact O-N 2.92Å; I595-K597 VanDerWaalsContact C-N 3.28Å; I595-K597 PolarHBondContact O-N 3.08Å; K597-I599 PolarHBondContact O-N 2.92Å; K597-N600 PolarHBondContact O-N 3.37Å; K597-C601 PolarHBondContact O-N 3.3Å; K597-C601 PolarHBondContact O-SG 2.96Å
598Q60.1Low49.9Very low127 Ų127124.9 Ų124.959%0.59366%0.658SS**Hα-helixtrans-62-42.3176.9-69.31798.300112.5E594 I595 N600 C601 L602E594-Q598 WeakPolarHBondContact O-CG 2.96Å; E594-Q598 PolarHBondContact O-N 2.89Å; I595-Q598 PolarHBondContact O-N 3.15Å; Q598-N600 VanDerWaalsContact C-N 3.32Å; Q598-N600 PolarHBondContact O-N 3.24Å; Q598-C601 PolarHBondContact O-N 2.77Å; Q598-L602 PolarHBondContact O-N 2.99Å
599I67.6Low49.6Very low109 Ų109124.8 Ų124.856%0.55966%0.664SS**Hα-helixtrans-61.4-39.7176.1-68.3167.4000111.4I595 Q596 K597 L602I595-I599 HydrophobicContact CG2-CD1 4.08Å; I595-I599 WeakPolarHBondContact O-CG1 3.04Å; I595-I599 PolarHBondContact O-N 3.48Å; Q596-I599 PolarHBondContact O-N 2.89Å; K597-I599 PolarHBondContact O-N 2.92Å; I599-L602 PolarHBondContact O-N 2.93Å
600N54.8Low48.9Very low102 Ų102123.6 Ų123.655%0.54567%0.668SS.*Hα-helixtrans-71-38.2176.8-76.5-15.2000112.8Q596 K597 Q598 L602 K603Q596-N600 PolarHBondContact O-N 2.96Å; Q596-N600 VanDerWaalsContact O-N 3.09Å; K597-N600 PolarHBondContact O-N 3.37Å; Q598-N600 VanDerWaalsContact C-N 3.32Å; Q598-N600 PolarHBondContact O-N 3.24Å; N600-L602 PolarHBondContact O-N 3.4Å; N600-K603 PolarHBondContact O-N 2.85Å
601C51Low47.9Very low101 Ų101128 Ų12868%0.68268%0.681SS**Hα-helixtrans-62-27.9176.1-69.80000113.2K597 Q598 K603K597-C601 PolarHBondContact O-N 3.3Å; K597-C601 PolarHBondContact O-SG 2.96Å; Q598-C601 PolarHBondContact O-N 2.77Å; C601-K603 VanDerWaalsContact C-N 3.27Å; C601-K603 PolarHBondContact O-N 2.8Å
602L49.4Very low46.9Very low149 Ų149128.9 Ų128.978%0.7870%0.695SS**THydrogen-bonded Turntrans-75.9-4.5178.6-88.2160.2000114.9Q598 I599 N600Q598-L602 PolarHBondContact O-N 2.99Å; I599-L602 PolarHBondContact O-N 2.93Å; N600-L602 PolarHBondContact O-N 3.4Å
603K38.6Very low46Very low172 Ų172129.8 Ų129.875%0.74870%0.704SS**THydrogen-bonded Turntrans-99-10.7-171.3-161.3169.8178.4-176.10115.4N600 C601N600-K603 PolarHBondContact O-N 2.85Å; C601-K603 VanDerWaalsContact C-N 3.27Å; C601-K603 PolarHBondContact O-N 2.8Å
604M39Very low44.6Very low152 Ų152133.8 Ų133.875%0.74972%0.72SS**  trans-116.4106.4-177.3-64.3-56.8-66.700112C606M604-C606 PolarHBondContact O-N 3.16Å; M604-C606 VanDerWaalsContact O-N 3.13Å
605N36.4Very low42.8Very low158 Ų158133.6 Ų133.685%0.84573%0.732SS**  trans-70.5101.7172.4-68.6-44.1000110.4
606C33.9Very low41.5Very low121 Ų121139 Ų13982%0.81875%0.752SS**PPolyproline II helixtrans-99.8126.2164.9-72.30000109.6M604M604-C606 PolarHBondContact O-N 3.16Å; M604-C606 VanDerWaalsContact O-N 3.13Å
607H32.2Very low39.9Very low172 Ų172139 Ų13980%0.79677%0.765SS**PPolyproline II helixtrans-72.1159.6179.2-89-85.1000112.3
608P33.5Very low38.6Very low110 Ų110135.3 Ų135.371%0.71477%0.768SS**PPolyproline II helixtrans-64157.5-168.224-35000114.6
609P36.9Very low37Very low122 Ų122141.4 Ų141.479%0.79279%0.785SS**PPolyproline II helixtrans-73.3148.6-17030.6-36.7000113.4
610S31.5Very low35.3Very low123 Ų123141 Ų14186%0.8679%0.792SS**PPolyproline II helixtrans-75.7137168.8-470000111
611E30.6Very low34.2Very low182 Ų182145 Ų14585%0.8581%0.805SS**  trans-90.4177.9-177.8-57.7-175.5139.700113
612S28.9Very low33.1Very low116 Ų116149.4 Ų149.481%0.81181%0.809SS**  trans69.1100.416065.50000119.9
613S32.9Very low32.2Very low115 Ų115149.5 Ų149.580%0.80481%0.805SS**  trans-155.879.1133.766.10000107.5
614E28.8Very low31.9Very low196 Ų196149.3 Ų149.392%0.91681%0.812SS**  76.3142.799.7-77.1-151.513100114.9
615S28Very low31.5Very low114 Ų114146.9 Ų146.980%0.79781%0.81SS**  trans-110.2135.5-156.250.40000114.4
616K33.2Very low31.5Very low209 Ų209149.3 Ų149.391%0.90981%0.813SS**  trans-125105.8154.7-75.2176.8177.9170.80106.7
617S28.1Very low31.4Very low125 Ų125151.4 Ų151.487%0.87482%0.815SS**  79.5112.859.1-168.40000111.9
618G34.7Very low31.5Very low66 Ų66154.7 Ų154.768%0.6882%0.82SS**  trans136.793.5-165.100000108.7
619R27.4Very low31.4Very low255 Ų255154 Ų15496%0.96282%0.818SS**  57.9113.856.9-163.3-178.8-177167.41.1109.5
620S32.6Very low31.4Very low101 Ų101155.2 Ų155.271%0.70682%0.818SS**  cis-120.7153.120.450.90000112.7
621K31.1Very low31.6Very low187 Ų187156 Ų15681%0.81382%0.817SS**  48.3133.773.7-80.5-159.7180-164.60115
622Y28.3Very low31.7Very low193 Ų193158 Ų15876%0.75782%0.817SS**  cis-168.9166-22.7-140.4-115.3000107.2
623E29.3Very low31.9Very low151 Ų151160.8 Ų160.871%0.70682%0.817SS**  trans37.7116164-75.9166.8131.500121.1
624N33.1Very low31.9Very low167 Ų167162.4 Ų162.489%0.89382%0.815SS**  -153140.8110.4-122.1-63.6000112.6
625S31.1Very low32Very low102 Ų102163.9 Ų163.971%0.71381%0.812SS**  trans-104.2128.3-170.6-56.40000112.3
626K36Very low32.3Very low208 Ų208164.5 Ų164.590%0.90482%0.817SS**  trans-155119152.9-115.8155.2-170.2169.80112.5
627I31.1Very low32.7Very low165 Ų165160 Ų16085%0.84681%0.806SS**  trans-90.2123.8175.8-63.1162.1000108.5
628R33.5Very low33.2Very low242 Ų242163 Ų16391%0.91380%0.804SS**  trans-173.4138.9134.8-106.3166.4-177.6172.21111.1
629S32.4Very low33.1Very low96 Ų96166.6 Ų166.667%0.67181%0.808SS**  trans-72.5157.6161.460.10000108.7
630D37.3Very low33.4Very low147 Ų147162.2 Ų162.279%0.78680%0.796SS**  -152.9161.961.2-75-32.3000113.1R632D630-R632 PolarHBondContact O-N 3.49Å
631V34.2Very low33.3Very low140 Ų140165.5 Ų165.585%0.84880%0.8SS**  trans-75.4123.1178.71790000110.5
632R33.3Very low33.3Very low224 Ų224167 Ų16785%0.84580%0.802SS**  trans-134.7103.6158.9-176.7171.2-64.2-145.20.2109.5D630D630-R632 PolarHBondContact O-N 3.49Å
633E32.9Very low33.6Very low174 Ų174165 Ų16581%0.81380%0.804SS**  trans-59.3139.7159.4-62.8-177.6115.400109.5
634I32.6Very low33.8Very low149 Ų149165.6 Ų165.676%0.76481%0.809SS**  trans164.1101.1150-85.4150.8000106.2
635R32.1Very low33.7Very low227 Ų227167 Ų16786%0.85781%0.807SS**  trans166.188146.1-94.4169.7172.6166.1-1.4110.6T637R635-T637 HydrophobicContact CG-CG2 4.05Å
636S34.7Very low34Very low127 Ų127168.2 Ų168.289%0.88881%0.81SS**  trans-103.3111.7139.4-1750000106.4
637T41.5Very low33.7Very low113 Ų113168.5 Ų168.569%0.69381%0.806SS**  trans-109.5106.2-17946.90000109.3R635R635-T637 HydrophobicContact CG-CG2 4.05Å
638F36.9Very low33.7Very low190 Ų190168.8 Ų168.883%0.83380%0.803SS**  trans-130108.2163-155.8-101000112.8
639N33.2Very low33.6Very low140 Ų140160.6 Ų160.675%0.74979%0.794SS**  trans53.4145158.1-133.2-2.1000121.9
640K33.4Very low33.6Very low163 Ų163162.3 Ų162.371%0.70980%0.795SS**  trans-105.4145.5171.5-60.4169.7179.8175.10108.7
641H31.3Very low33.1Very low171 Ų171162.4 Ų162.479%0.79280%0.796SS**  -177.6158.1101.4-107.4-89.5000111.7
642Y30.6Very low33Very low217 Ų217161.3 Ų161.385%0.85179%0.794SS**  trans-88.8150.6-174.7-64.2-101.2000112.3
643N34.2Very low33Very low153 Ų153159.3 Ų159.382%0.81880%0.795SS**  trans-155.4151.3135.6-130.9-28.7000115.8
644M33.5Very low33Very low163 Ų163153.6 Ų153.680%0.80377%0.774SS**  trans56.4147.4165.7-61.3-166.871.500121.5
645K31.5Very low32.9Very low196 Ų196154.5 Ų154.585%0.85278%0.775SS**  trans-127.7142178.4-63.1172.3177.4176.70109.6
646T36.7Very low32.8Very low127 Ų127148.4 Ų148.478%0.77977%0.767SS**  trans-152.699.9168.7-53.90000106.3
647R31.4Very low32.7Very low214 Ų214149.7 Ų149.781%0.80876%0.764SS**  89.7106.374.5-84.6-168-174.7-153.44.7113.9
648H30.5Very low32Very low172 Ų172150.1 Ų150.180%0.79677%0.77SS**  trans69.5152.3150-61.2-69.6000121.9
649G32Very low31.6Very low69 Ų69146.6 Ų146.671%0.71177%0.769SS**  trans101.6100.1-175.400000111.1
650N31Very low31.6Very low132 Ų132146.2 Ų146.271%0.70678%0.777SS**  cis83.487.431.5-63.763.3000115.4
651D27.6Very low31.4Very low150 Ų150141.6 Ų141.680%0.80278%0.777SS**  39122.6126.7-37.4-36.4000122.1
652S33.1Very low31.2Very low116 Ų116138.4 Ų138.481%0.81177%0.773SS**  trans160.6110.5151.9-94.10000106.3
653E32.2Very low31.1Very low182 Ų182134.4 Ų134.485%0.8577%0.767SS**  57.1117.869-65-166.7161.300114.2
654S32.4Very low30.8Very low55 Ų55137.2 Ų137.239%0.38577%0.767SS.*  164.5169.2124.7-830000114.8D1112S654-D1112 WeakPolarHBondContact CB-OD1 3.37Å; S654-D1112 VanDerWaalsContact CB-OD2 3.28Å; S654-D1112 WeakPolarHBondContact CB-OD2 3.04Å; S654-D1112 PolarHBondContact OG-OD1 2.97Å; S654-D1112 PolarHBondContact OG-OD2 2.79Å
655E31.9Very low30.6Very low168 Ų168137 Ų13779%0.78576%0.764SS**  trans-110.1162.6-156.7-60.3-163.913000117.4
656S29.8Very low30.6Very low99 Ų99132.5 Ų132.569%0.69276%0.764SS**  trans23.6130.4153.569.60000122
657N31.3Very low30.5Very low153 Ų153131.8 Ų131.882%0.81876%0.755SS**  trans-134.1108.8151.2-114.6-60.7000111.5
658C26.4Very low30.6Very low122 Ų122128 Ų12882%0.82476%0.755SS**  trans-125.896.3178.5-84.40000110.4
659S30.6Very low30.8Very low116 Ų116124.6 Ų124.681%0.81175%0.746SS**  trans-161.7102.8169.9-87.70000115.4
660S33Very low30.9Very low132 Ų132127.4 Ų127.492%0.92375%0.749SS**  trans-168.6134.7140.2-93.40000109.7
661G27.4Very low31Very low67 Ų67131.9 Ų131.969%0.69176%0.756SS**  trans-121.7-160.8177.900000112.2
662S28.7Very low31Very low103 Ų103133.6 Ų133.672%0.7276%0.757SS**  trans59.698.416657.40000118.9
663D28.6Very low30.9Very low133 Ų133132.4 Ų132.471%0.71175%0.749SS**  82.4141.1110.4-56.5-18.8000123.8
664Y27.2Very low31Very low212 Ų212130.8 Ų130.883%0.83175%0.751SS**  trans52.1102.2160.5-53-62000120.9
665Q30.3Very low30.8Very low159 Ų159134.8 Ų134.874%0.74377%0.768SS**  -154124.5117.2-125.9-179.927.300114N667Q665-N667 PolarHBondContact O-N 2.96Å; Q665-N667 PolarHBondContact OE1-ND2 2.97Å; Q665-N667 PolarHBondContact OE1-OD1 3.4Å
666A30.5Very low30.7Very low101 Ų101138.3 Ų138.384%0.83577%0.774SS**  trans-9583.2170.800000110.2V668A666-V668 PolarHBondContact O-N 2.99Å
667N34Very low30.9Very low112 Ų112139 Ų13960%0.59978%0.776SS**  trans-84.4108.8-177.6-81.3-29.9000112.9Q665 V669Q665-N667 PolarHBondContact O-N 2.96Å; Q665-N667 PolarHBondContact OE1-ND2 2.97Å; Q665-N667 PolarHBondContact OE1-OD1 3.4Å; N667-V669 HydrophobicContact CB-CG2 4.3Å; N667-V669 PolarHBondContact O-N 3.29Å; N667-V669 VanDerWaalsContact O-N 3.16Å
668V34.2Very low31.1Very low134 Ų134136.8 Ų136.881%0.81277%0.77SS**  trans-73.998.3170.7175.50000109.8A666 V670A666-V668 PolarHBondContact O-N 2.99Å; V668-V670 HydrophobicContact CG1-CG2 3.98Å; V668-V670 PolarHBondContact O-N 2.75Å
669V35.2Very low31.2Very low101 Ų101136 Ų13661%0.61277%0.766SS**  trans-9780.1-178.5-178.90000111.3N667 R671N667-V669 HydrophobicContact CB-CG2 4.3Å; N667-V669 PolarHBondContact O-N 3.29Å; N667-V669 VanDerWaalsContact O-N 3.16Å; V669-R671 HydrophobicContact CG1-CG 3.81Å; V669-R671 PolarHBondContact O-N 3.02Å; V669-R671 VanDerWaalsContact O-N 3.14Å
670V33.8Very low31.6Very low128 Ų128135.9 Ų135.978%0.77677%0.765SS**  trans-77.593.4170.5177.60000109.8V668 K672V668-V670 HydrophobicContact CG1-CG2 3.98Å; V668-V670 PolarHBondContact O-N 2.75Å; V670-K672 PolarHBondContact O-N 2.84Å; V670-K672 VanDerWaalsContact O-N 3.17Å
671R32.2Very low31.7Very low226 Ų226136.9 Ų136.985%0.85376%0.76SS**  trans-83.790.7178.7-88.9176.2178.7-163.9-0.3113V669V669-R671 HydrophobicContact CG1-CG 3.81Å; V669-R671 PolarHBondContact O-N 3.02Å; V669-R671 VanDerWaalsContact O-N 3.14Å
672K28.1Very low32.1Very low187 Ų187145.2 Ų145.281%0.81377%0.771SS**  trans0.8125.2149-79.7178.5171.4176.60118.5V670V670-K672 PolarHBondContact O-N 2.84Å; V670-K672 VanDerWaalsContact O-N 3.17Å
673S30.4Very low32.3Very low91 Ų91146.9 Ų146.964%0.63678%0.78SS**  trans47.7121.3135.165.40000120.9
674V34.5Very low32.5Very low148 Ų148149 Ų14990%0.89779%0.788SS**  trans-117131.6149176.10000108.2
675N28.2Very low32.9Very low139 Ų139147.2 Ų147.274%0.74379%0.792SS**  trans-100143.6-175.7-60-41.8000111.8
676R31Very low32.9Very low242 Ų242148.1 Ų148.191%0.91380%0.796SS**  trans-144.3154.7145.6-110.4-159.8139.691.8-1.2110.4
677P33.4Very low32.9Very low112 Ų112147.7 Ų147.773%0.72779%0.793SS**  trans-111.7-157.4-154.149.8-41.1000111.2
678P35.4Very low33.5Very low108 Ų108148.5 Ų148.570%0.70180%0.804SS**  -131.4177.6-114.232-7.8000115.8
679S28.7Very low33.4Very low105 Ų105151.6 Ų151.673%0.73481%0.807SS**  trans48118146.161.90000120.9
680S39.4Very low33.2Very low113 Ų113152.3 Ų152.379%0.7981%0.807SS**  trans-144.4161.8139.4-73.20000108.6
681D35.3Very low33.3Very low153 Ų153154.6 Ų154.682%0.81881%0.807SS**  trans55.192.2174.1-52.4-24000115.1
682R34.7Very low33.3Very low243 Ų243153.1 Ų153.192%0.91781%0.809SS**  cis58.97245.5-92-165179.3-159.71.8114.7
683C32.2Very low33.6Very low137 Ų137149.6 Ų149.693%0.92681%0.808SS**  trans-138.2136.8136.7-1020000109.1
684M33.4Very low33.8Very low177 Ų177148.7 Ų148.787%0.87281%0.813SS**  trans-123.9127.9-174.7-73.9-86-70.700110.2
685L35.3Very low33.7Very low175 Ų175151.2 Ų151.292%0.91681%0.812SS**  trans-158.7144.9140.3-143.969.9000110.9
686E31.2Very low34.1Very low178 Ų178154.8 Ų154.883%0.83282%0.821SS**  trans-73.2165.2174.3-64.1-17997.200112.3P688E686-P688 WeakPolarHBondContact O-CD 3.39Å
687A30.8Very low34Very low92 Ų92148.1 Ų148.176%0.7681%0.812SS**  trans-89.8114.1167.100000111
688P46.8Very low33.9Very low130 Ų130148.2 Ų148.284%0.84481%0.81SS**  trans-69.9151.4171.6-16.232.2000111.5E686E686-P688 WeakPolarHBondContact O-CD 3.39Å
689K32.4Very low33.7Very low199 Ų199148.2 Ų148.287%0.86581%0.809SS**  trans-97.8146.2-171.5-64.9171-177.7166.50113
690N30.9Very low33.9Very low115 Ų115153.5 Ų153.562%0.61581%0.813SS**  trans63.1106.9135.5-17578.3000120.2
691K34.3Very low34.1Very low176 Ų176156.8 Ų156.877%0.76581%0.813SS**  trans43.1116.9136.5-53.4175.7-162.3167.60119.1
692H33.2Very low34.4Very low195 Ų195156.9 Ų156.990%0.90382%0.819SS**  -150.7140.5118.7-107.8-76.4000110.7G694H692-G694 PolarHBondContact O-N 3.36Å
693S34.3Very low34.5Very low114 Ų114152.3 Ų152.380%0.79781%0.805SS**  trans-92.392.2-179.654.30000111.4K695S693-K695 PolarHBondContact O-N 3.48Å
694G34Very low34.7Very low72 Ų72150.6 Ų150.674%0.74279%0.787SS**  trans-73.3115.4173.900000112.5H692H692-G694 PolarHBondContact O-N 3.36Å
695K32.6Very low35Very low201 Ų201150 Ų15087%0.87478%0.779SS**  trans-108.397.6163.4-74.7-174.1179.1-179.30109S693S693-K695 PolarHBondContact O-N 3.48Å
696F37.9Very low35.1Very low213 Ų213149.5 Ų149.593%0.93477%0.774SS**  trans-121144165.7-83.1-77.1000110.3
697S28.8Very low35.3Very low103 Ų103150.2 Ų150.272%0.7278%0.775SS**  trans-107160.4179175.50000110.1
698T29.7Very low35.5Very low113 Ų113153.3 Ų153.369%0.69377%0.771SS**  trans83.5149.1154.3-18.80000117.1
699T31.1Very low35.1Very low108 Ų108153.7 Ų153.766%0.66376%0.762SS**  trans77.5145.616475.40000117.4
700R34.5Very low35.3Very low217 Ų217152.9 Ų152.982%0.81976%0.761SS**  cis-167.3160.3-11.2-113.9168.3-172.4169.1-1110.3
701K42Very low35.3Very low182 Ų182155.6 Ų155.679%0.79177%0.77SS**  trans66.1102.8162.8-45.8-160.7-170.7176.20120
702V42.9Very low35.8Very low155 Ų155151.6 Ų151.694%0.93976%0.762SS**  -122.4156.1114.1-179.60000106.4
703K36.3Very low35.9Very low147 Ų147148.7 Ų148.764%0.63976%0.757SS**  trans-149.3160.6-159.5168.8177.2170.5-89.80112.2
704D36.8Very low35.8Very low100 Ų100147.4 Ų147.454%0.53575%0.748SS.*  trans72143.4172.9-70.4-37.2000113.1
705K38.3Very low35.9Very low165 Ų165150.9 Ų150.972%0.71775%0.75SS**  cis170.5162.3-10.5-113.9176.7-164.8169.80102.8
706M37.9Very low35.9Very low164 Ų164150.8 Ų150.881%0.80875%0.75SS**  cis-171.1171.515.139.2-151.1144.300109.2
707K36.1Very low35.6Very low194 Ų194148.7 Ų148.784%0.84374%0.743SS**  trans83.9137.8157.1-156.2-176.5-174.7-1760115.6
708K35.6Very low35.7Very low157 Ų157150.7 Ų150.768%0.68374%0.74SS**  cis177161.1-28.9-163.8-172159.6-141.80104.4
709E37.8Very low36.2Very low138 Ų138155.4 Ų155.465%0.64575%0.752SS**  trans77.7137.8169.2-54.2168.9-173.100113.4
710Q36.3Very low36.3Very low181 Ų181154.8 Ų154.885%0.84675%0.749SS**  cis-142.1144.4-5.7-139.8168.212.900113.5
711E31.4Very low36Very low173 Ų173155 Ų15581%0.80875%0.75SS**  trans-79.7-171.9164.6-122-167.5133.600109.6
712P43.8Very low35.4Very low92 Ų92155.9 Ų155.960%0.59775%0.754SS**  cis-138.3-163.7-13.5242.7000113.4
713V36.8Very low34.9Very low134 Ų134153 Ų15381%0.81274%0.741SS**  trans75146.1154.1-168.80000118.2
714S32Very low34.8Very low86 Ų86152.7 Ų152.760%0.60175%0.746SS**  cis-173.9178.4-39.1-1600000108.1
715D35.8Very low34.5Very low146 Ų146156.9 Ų156.978%0.78176%0.76SS**  trans59.3119.3147.6-64.6-52.6000122
716K31.8Very low34.4Very low199 Ų199159.5 Ų159.587%0.86577%0.767SS**  trans-57.3154.5155.4-41.4151.9-175.7171.80109.7
717Q32.9Very low34.3Very low169 Ų169159.5 Ų159.579%0.7977%0.767SS**  -165.5154.3124.3-158.8139.4-23.800112.7
718E29.9Very low34.2Very low144 Ų144155.3 Ų155.367%0.67376%0.762SS**  trans12.7144.1163.5-71171.89400123.9P720E718-P720 WeakPolarHBondContact O-CD 3.49Å
719F39.4Very low34.4Very low213 Ų213152.6 Ų152.693%0.93476%0.76SS**  trans-82.9127.4148.2-79.8-92.3000111.1
720P33.3Very low34.2Very low94 Ų94153 Ų15361%0.6177%0.767SS**  trans-128.1113.9155.534-20.1000113.6E718E718-P720 WeakPolarHBondContact O-CD 3.49Å
721R29.5Very low34.1Very low222 Ų222152 Ų15284%0.83877%0.767SS**  40.7139.1125.6-57.4170.7174.1132-4.8119.8
722K29.2Very low34.4Very low200 Ų200149.2 Ų149.287%0.8777%0.767SS**  trans77.8151164.5-59.9170.1-179.8177.80114
723S31.6Very low34.1Very low95 Ų95150.3 Ų150.366%0.66477%0.774SS**  cis-160.3166.4-5.229.40000111.7
724N35Very low33.8Very low140 Ų140147 Ų14775%0.74977%0.767SS**  trans70.6118.9170-56.8-19000114.3
725K30.3Very low34.2Very low189 Ų189147.1 Ų147.182%0.82277%0.766SS**  59.191.857.1-61.7-175.2175.4-176.10112.5
726Y35.9Very low34.2Very low220 Ų220145 Ų14586%0.86376%0.76SS**  trans-150.1140.2132.5-110.4-80000109.6
727M36.4Very low34.4Very low163 Ų163139 Ų13980%0.80374%0.738SS**  trans20.2133.3177.6-61.2-55.797.300123.3
728S33.9Very low34.6Very low107 Ų107133.2 Ų133.275%0.74871%0.713SS**  trans-91.2175.9155.4-1690000109.5
729P40.3Very low34.9Very low100 Ų100129.9 Ų129.965%0.64970%0.7SS**  cis-117.1169.4-37.728.6-10.7000112.7
730D33.7Very low34.7Very low145 Ų145121 Ų12178%0.77567%0.665SS**  -178.8147.3112.7-92.1-11.3000112.7
731D33.8Very low34.9Very low161 Ų161122.9 Ų122.986%0.86167%0.67SS**  trans33.581.4167.9-71.7-1.7000120.4
732S36.9Very low35Very low114 Ų114121.3 Ų121.380%0.79767%0.669SS**  trans-86.4163.5141.6-60.60000110.7
733P36.9Very low35.7Very low116 Ų116117.1 Ų117.175%0.75366%0.662SS**  cis-131.9174.7-35.137.6-22.3000112.2
734G30.7Very low36.2Very low64 Ų64119.2 Ų119.266%0.6667%0.671SS**  trans-72138.4166.900000112.6
735P40.9Very low36.4Very low89 Ų89117.4 Ų117.458%0.57867%0.669SS**  trans-84.3147.3171.533.6-33.6000111.9S250S250-P735 PolarHBondContact OG-O 3.37Å
736P36.9Very low36.9Very low102 Ų102119.6 Ų119.666%0.66267%0.672SS**  trans-107.2169.1-163.734.9-20.8000113.4
737D34.9Very low37.2Very low73 Ų73115.1 Ų115.139%0.3967%0.667SS.*  1.6140.5119.2-6848.8000117.7E248 S249 S250E248-D737 WeakPolarHBondContact O-CA 3.18Å; S249-D737 VanDerWaalsContact CA-OD1 3.29Å; S249-D737 WeakPolarHBondContact CA-OD1 3.11Å; S249-D737 WeakPolarHBondContact CA-OD2 3.46Å; S249-D737 VanDerWaalsContact CB-OD2 3.3Å; S249-D737 WeakPolarHBondContact CB-OD2 3.3Å; S249-D737 PolarHBondContact OG-OD2 3.11Å; S250-D737 PolarHBondContact N-OD1 2.86Å; S250-D737 PolarHBondContact OG-N 3.25Å
738T36.4Very low37.4Very low46 Ų46112.9 Ų112.928%0.28267%0.665SS.*  cis-173.5109.74.730.30000114.3H247 E248H247-T738 VanDerWaalsContact CB-CB 3.44Å; H247-T738 HydrophobicContact CB-CG2 3.5Å; H247-T738 WeakPolarHBondContact ND1-CB 3.44Å; H247-T738 PolarHBondContact ND1-O 3.24Å; H247-T738 PolarHBondContact ND1-OG1 2.7Å; H247-T738 VanDerWaalsContact ND1-OG1 3.1Å; E248-T738 VanDerWaalsContact N-CG2 3.3Å; E248-T738 WeakPolarHBondContact O-CA 3.12Å; E248-T738 WeakPolarHBondContact O-CG2 3.29Å
739N36.3Very low37.8Very low74 Ų74119.4 Ų119.440%0.39667%0.673SS.*  trans176.398.6151171.369.2000115.5H245 E248H245-N739 PolarHBondContact CE1-OD1 3.01Å; H245-N739 PolarHBondContact ND1-OD1 3.47Å; E248-N739 VanDerWaalsContact CD-N 3.35Å; E248-N739 VanDerWaalsContact OE1-C 3.32Å; E248-N739 WeakPolarHBondContact OE2-CA 3.45Å; E248-N739 PolarHBondContact OE2-N 2.96Å; E248-N739 VanDerWaalsContact OE2-O 3.13Å
740S35.2Very low37.5Very low28 Ų28117.3 Ų117.320%0.19667%0.67CS.*  52.7129.298.2113.70000120.6E248E248-S740 PolarHBondContact OE1-N 3Å; E248-S740 PolarHBondContact OE2-N 3.11Å
741N38Very low37.9Very low132 Ų132116.8 Ų116.871%0.70668%0.675SS**  trans70.1105.5152.1-66.2-66.4000122.8
742K32.8Very low38.2Very low189 Ų189120.7 Ų120.782%0.82268%0.677SS**  19.4154.3120.1-64.6177.4177.6172.20120.3
743P43.8Very low38.4Very low113 Ų113121.7 Ų121.773%0.73468%0.679SS**  cis-140.4147.9-42.938-20.8000113.5S745P743-S745 PolarHBondContact O-N 3.48Å; P743-S745 VanDerWaalsContact O-N 3.15Å
744V41.9Very low38.6Very low138 Ų138122.3 Ų122.384%0.83668%0.683SS**  trans-80.699.9169.8-1800000110.6R746V744-R746 PolarHBondContact O-N 2.72Å; V744-R746 VanDerWaalsContact O-N 3.16Å
745S39.2Very low38.8Very low102 Ų102125 Ų12571%0.71369%0.691SS**  trans-69103.8170.9171.70000111.2P743P743-S745 PolarHBondContact O-N 3.48Å; P743-S745 VanDerWaalsContact O-N 3.15Å
746R41.2Very low38.8Very low236 Ų236126 Ų12689%0.89170%0.701SS**  trans-110.2109.8160.3-105.7179.1170.4138.1-0.7110.2V744V744-R746 PolarHBondContact O-N 2.72Å; V744-R746 VanDerWaalsContact O-N 3.16Å
747V40.7Very low39.4Very low126 Ų126126.7 Ų126.776%0.76471%0.705SS**PPolyproline II helixtrans-55.1146.6177.3170.30000110.3
748P40.2Very low39.7Very low116 Ų116127.9 Ų127.975%0.75372%0.716SS**PPolyproline II helixtrans-76.2150.3-148.528.4-36.1000114.5
749R42.4Very low39.6Very low243 Ų243133.6 Ų133.692%0.91775%0.745SS**PPolyproline II helixtrans-66.7139.3163.8-87.6-178.5156.482.70.6110.2
750G35Very low39.5Very low56 Ų56135.8 Ų135.858%0.57777%0.765SS**PPolyproline II helixtrans-61172.5169.200000113.5
751P41.2Very low39.6Very low135 Ų135139.1 Ų139.188%0.87779%0.789SS**PPolyproline II helixtrans-62.9136.3-166.925.4-34.7000112.9
752R40.3Very low39.5Very low243 Ų243140.4 Ų140.492%0.91779%0.79SS**PPolyproline II helixtrans-81.2128.7170.4-61.7170.776.3158.40.9108
753T41.4Very low39.7Very low135 Ų135137.3 Ų137.383%0.82878%0.783SS**PPolyproline II helixtrans-69.5134.4178.936.90000111.6
754P42.4Very low39.6Very low129 Ų129140.1 Ų140.184%0.83879%0.786SS**PPolyproline II helixtrans-73.6153.9162.431.7-32.7000110.6
755S34.2Very low39.3Very low120 Ų120136.7 Ų136.784%0.83978%0.779SS**PPolyproline II helixtrans-90.6158.6-169.348.20000114.8
756S41.6Very low39.3Very low111 Ų111139 Ų13978%0.77678%0.784SS**PPolyproline II helixtrans-69155.3-177.4-45.80000115
757P48.2Very low39Very low116 Ų116133.2 Ų133.275%0.75378%0.779SS**PPolyproline II helixtrans-65.3169.4156.3-16.832.5000112.7
758P41Very low38.7Very low97 Ų97131 Ų13163%0.6378%0.782SS**PPolyproline II helixtrans-81.5169.6-166.834-37.5000115.8T1207P758-T1207 HydrophobicContact CB-CG2 3.62Å
759L35.8Very low38.4Very low167 Ų167128.6 Ų128.687%0.87478%0.778SS**  trans-105.1179.6-175.8-65.7168.2000112.9
760S34.1Very low38Very low119 Ų119123.5 Ų123.583%0.83277%0.774SS**  trans80.6134.3172-141.20000114.4
761S36.5Very low37.8Very low98 Ų98126.4 Ų126.469%0.68578%0.784SS**  cis-155.4-175.9-10.858.80000108.2
762Q35.7Very low37.3Very low159 Ų159125 Ų12574%0.74378%0.777SS**  cis-156.6-175.73.3-147.6175-90.600109.6
763D37.5Very low36.9Very low125 Ų125121.5 Ų121.567%0.66877%0.771SS**  trans63.3149162.5-70.624000119.3
764E40.9Very low36.3Very low171 Ų171125.1 Ų125.180%0.79977%0.771SS**  cis-169148.6-39.2-115.3-43.8151.300107
765G36.1Very low36.1Very low66 Ų66125.6 Ų125.668%0.6877%0.766SS**  trans66.1158.4178.600000116.7
766D39.7Very low36.3Very low152 Ų152126.4 Ų126.481%0.81376%0.761SS**  cis-149.11583.4-157.8-5.3000112.1
767S34.7Very low36.1Very low114 Ų114126.8 Ų126.880%0.79776%0.764SS**  trans-32.5148.4174.3-45.50000119.3
768G34.1Very low35.3Very low80 Ų80132.1 Ų132.183%0.82577%0.768SS**  trans155.384.2151.500000120.5
769G33.4Very low34.9Very low64 Ų64135.5 Ų135.566%0.6678%0.776SS**  trans68.4142.8155.500000118.8
770T33.5Very low34.7Very low137 Ų137132.3 Ų132.384%0.8477%0.768SS**  cis60119.838.976.40000113.1
771C31.6Very low34.6Very low117 Ų117132.1 Ų132.179%0.79177%0.765SS**  cis-156.8-17511.7-115.10000113.1
772S31.3Very low34.2Very low105 Ų105131.6 Ų131.673%0.73476%0.761SS**  trans-1.4153152.464.50000120
773H31.6Very low33.8Very low169 Ų169131.4 Ų131.478%0.78275%0.754SS**  cis-157.6158.615.7-161.3-103.9000108.7
774Y29.5Very low33.5Very low211 Ų211127.8 Ų127.883%0.82774%0.738SS**  trans-93.3128.5162.4-95.9-83.7000109.3
775D37.3Very low33Very low139 Ų139122 Ų12274%0.74372%0.717SS**  trans-135.7152.4157.1-155.9-9.4000109.7
776L37.3Very low33Very low138 Ų138126 Ų12672%0.72372%0.721SS**  trans-121.866.2-166.7-71.4173.3000111.2R778L776-R778 VanDerWaalsContact C-N 3.28Å; L776-R778 PolarHBondContact O-N 2.91Å
777S39.2Very low32.7Very low119 Ų119123.4 Ų123.483%0.83271%0.708SS**  trans-69.282.6168.6-47.60000110.6
778R31Very low32.6Very low227 Ų227125.4 Ų125.486%0.85771%0.71SS**  trans-131.726.9179.2-147.1-158.9169.7-177.9-3.1115.6L776L776-R778 VanDerWaalsContact C-N 3.28Å; L776-R778 PolarHBondContact O-N 2.91Å
779E31.9Very low32.6Very low168 Ų168131.5 Ų131.579%0.78571%0.713SS**  trans-121138.1160.6-87.771.3-157.700107
780S32.3Very low32.7Very low101 Ų101135 Ų13571%0.70672%0.722SS**  cis-145161.3-11.1-68.50000107.3
781C30.8Very low32.8Very low115 Ų115139.4 Ų139.478%0.77772%0.723SS**  168.1-17786.3-106.50000111.2
782S29.6Very low32.8Very low86 Ų86144.3 Ų144.360%0.60173%0.725SS**  trans64.9100.6157.5-630000118.9
783R26.3Very low32.9Very low156 Ų156148.3 Ų148.359%0.58973%0.732SS**  trans-116.4114168.9179-170.7177.8-156.7-6.2108.3A1435 D1436 H1437R783-A1435 PolarHBondContact NH2-O 3.43Å; R783-D1436 PolarHBondContact NH2-O 3.34Å; R783-H1437 HydrophobicContact CG-CB 3.75Å; R783-H1437 PolarHBondContact NH1-CD2 2.88Å
784S30.9Very low33.1Very low48 Ų48147.1 Ų147.134%0.33673%0.732SS.*  trans-153.9109.9-159.835.80000115.8Y1439S784-Y1439 WeakPolarHBondContact CB-O 3.23Å
785S30.6Very low33Very low50 Ų50145.5 Ų145.535%0.3573%0.731SS.*  trans66.1136.3160.7-103.50000116.5H1437 Y1439S785-H1437 WeakPolarHBondContact CA-O 3.15Å; S785-H1437 PolarHBondContact N-O 2.76Å; S785-Y1439 PolarHBondContact OG-N 3.34Å
786L36.7Very low33Very low149 Ų149147.1 Ų147.178%0.7874%0.738SS**  cis-148178.533.1-106.7167.4000112.9
787N33.6Very low32.6Very low98 Ų98145.4 Ų145.452%0.52473%0.734SS.*  trans-87.5155.9-170.1-64.9-46.5000115.8H1438N787-H1438 PolarHBondContact ND2-NE2 2.81Å
788N32Very low32.2Very low157 Ų157144.4 Ų144.484%0.8473%0.727SS**  trans-61.9151.5156-77.2-78.1000111.2
789K34Very low32Very low207 Ų207139 Ų13990%0.972%0.724SS**  trans-118.9148.8166.6-155.9163.4-175.1174.50110.9
790T35.8Very low32Very low137 Ų137137.7 Ų137.784%0.8473%0.727SS**PPolyproline II helixtrans-79.6148.8-151.7-48.40000115.3
791R35.3Very low31.8Very low230 Ų230138.8 Ų138.887%0.86874%0.735SS**PPolyproline II helixtrans-54.9148170.2165.3178.5161.9-175-3.7113.1
792R30.8Very low31.8Very low221 Ų221137 Ų13783%0.83474%0.735SS**PPolyproline II helixtrans-50.2137.7176.3-53.3173.878165.56113
793Q34.5Very low31.8Very low188 Ų188144.1 Ų144.188%0.87975%0.749SS**PPolyproline II helixtrans-93.6144.3158.1-69.8176.4-29.900109
794N35.2Very low32.1Very low145 Ų145142.1 Ų142.178%0.77576%0.758SS**  trans-118.8148.4164-80.830.3000107.9
795E28.9Very low32.2Very low176 Ų176147.2 Ų147.282%0.82278%0.781SS**  trans-72.8144.5-179.7-59158.8104.200112.3
796I35.9Very low32.1Very low173 Ų173151.1 Ų151.189%0.88780%0.797SS**  trans-132.1138.7137.5-63.1-173.8000106.7
797T29.5Very low31.9Very low103 Ų103149.2 Ų149.263%0.63280%0.797SS**  trans-98.4-177.1-167.956.20000112.9
798S30.1Very low31.9Very low98 Ų98149.6 Ų149.669%0.68581%0.807SS**  trans105.198.6146.3-54.10000119.6
799S27.6Very low31.9Very low114 Ų114149.4 Ų149.480%0.79781%0.806SS**  89160.6126-57.60000120.7
800V31.1Very low32Very low140 Ų140144.7 Ų144.785%0.84880%0.799SS**  trans71.587-171.9-167.40000112.2
801S27.8Very low31.9Very low123 Ų123145.6 Ų145.686%0.8680%0.799SS**  81.2111.769.3-169.40000113.3
802G32.1Very low31.9Very low77 Ų77142.8 Ų142.879%0.79480%0.796SS**  trans170.397178.900000110.3
803R29.2Very low32.1Very low236 Ų236139.2 Ų139.289%0.89179%0.793SS**  trans-94.5171.3170.1-74.9-171.5174.6-156.80.3109.9
804C31.7Very low32.2Very low115 Ų115138.1 Ų138.178%0.77779%0.793SS**  trans79.2134.9163.3-56.40000114.6
805L34.8Very low32.2Very low155 Ų155137.1 Ų137.181%0.81280%0.797SS**  cis-128.1152.90.2-72.8175.1000112.1
806D28.2Very low32.6Very low131 Ų131134.7 Ų134.770%0.70179%0.794SS**  trans-81.6145.2160.2-172.7-7000109S808D806-S808 PolarHBondContact OD1-N 3.17Å; D806-S808 VanDerWaalsContact OD1-N 3.14Å; D806-S808 PolarHBondContact OD1-OG 3.14Å
807S32.4Very low32.6Very low110 Ų110138.1 Ų138.177%0.76980%0.796SS**  trans-162.858.9170.7-75.80000109.9N809S807-N809 PolarHBondContact O-N 3.45Å
808S32.4Very low32.8Very low105 Ų105142.4 Ų142.473%0.73481%0.805SS**  trans-59.1112168.6-620000110.6D806D806-S808 PolarHBondContact OD1-N 3.17Å; D806-S808 VanDerWaalsContact OD1-N 3.14Å; D806-S808 PolarHBondContact OD1-OG 3.14Å
809N32.2Very low33Very low153 Ų153143.6 Ų143.682%0.81881%0.811SS**  trans-102.491.3-174.7-148.812.2000110.6S807 N811S807-N809 PolarHBondContact O-N 3.45Å; N809-N811 PolarHBondContact O-N 3.28Å
810S36Very low33.5Very low109 Ų109145.1 Ų145.176%0.76282%0.815SS**  trans-80.8104.4-176.554.40000112.2E812S810-E812 PolarHBondContact O-N 2.84Å
811N34.5Very low33.4Very low155 Ų155144.6 Ų144.683%0.82981%0.812SS**  trans-78.497.9171.8-83.3-20000111.2N809N809-N811 PolarHBondContact O-N 3.28Å
812E35.9Very low33.8Very low171 Ų171144 Ų14480%0.79981%0.807SS**  trans-141156165.1-75.7-156.115100113.7S810S810-E812 PolarHBondContact O-N 2.84Å
813N34.5Very low33.8Very low147 Ų147145.6 Ų145.679%0.78680%0.801SS**  trans73.9115.8170.4-63.6-67.8000118
814L35.8Very low33.9Very low165 Ų165142 Ų14286%0.86480%0.799SS**  trans-79.1125.7178.8-67.381.2000111V816L814-V816 HydrophobicContact CB-CG2 4.32Å; L814-V816 PolarHBondContact O-N 3.14Å
815S35.5Very low33.8Very low123 Ų123142.2 Ų142.286%0.8680%0.802SS**  trans-77.7111.3167.1-176.50000110.6
816V37Very low33.7Very low126 Ų126144.2 Ų144.276%0.76481%0.807SS**  trans-128.484.2173.1-172.50000110.2L814L814-V816 HydrophobicContact CB-CG2 4.32Å; L814-V816 PolarHBondContact O-N 3.14Å
817R37.3Very low34Very low245 Ų245142.6 Ų142.693%0.92581%0.807SS**  trans-140.9141160.2-146.9162.9-176.8147.30.2111
818K32.5Very low34Very low193 Ų193141.9 Ų141.984%0.83980%0.802SS**  trans-80.6155.1-160.4-73-179.9178178.60113.4
819P34.8Very low34.1Very low123 Ų123143.7 Ų143.780%0.79980%0.803SS**  trans-76.9156.7-178.332.9-37.1000112.7
820V38.1Very low34.3Very low145 Ų145143.8 Ų143.888%0.87980%0.803SS**  trans-127.4133.4161.3176.40000108.3
821V29.1Very low34.1Very low129 Ų129149.5 Ų149.578%0.78281%0.808SS**  trans-81.6137.8179.8172.70000109.8
822C35.1Very low33.8Very low112 Ų112147.5 Ų147.576%0.75781%0.807SS**  trans-167122.9138-109.70000113.7
823T33.5Very low33.8Very low110 Ų110145 Ų14568%0.67581%0.805SS**  trans25.7113.513760.30000119.5
824N31.5Very low33.8Very low159 Ų159147 Ų14785%0.8581%0.807SS**  -164.6130.390.8-105.6-14.2000113.7
825S28.1Very low33.6Very low121 Ų121146.2 Ų146.285%0.84681%0.809SS**  trans-86.1106.4172.7-56.30000109.7
826Q34.2Very low33.4Very low196 Ų196151 Ų15192%0.91681%0.808SS**  trans-146.1120.7157.9-119.7167.233.800114.3
827S34.1Very low33.3Very low98 Ų98150.7 Ų150.769%0.68581%0.811SS**  trans-42.4140.2-177.7-176.80000116.3N829S827-N829 PolarHBondContact O-N 3.39Å
828S32.7Very low33.3Very low95 Ų95144.3 Ų144.366%0.66481%0.805SS**  trans-64.792.816843.30000112.3N830S828-N830 PolarHBondContact O-N 2.93Å
829N34.3Very low33.3Very low143 Ų143144.4 Ų144.477%0.76581%0.805SS**  trans-76.472.6171.2-105.5-49.1000111.9S827 R831S827-N829 PolarHBondContact O-N 3.39Å; N829-R831 PolarHBondContact O-N 2.92Å
830N35.2Very low33.5Very low154 Ų154146.9 Ų146.982%0.82481%0.806SS**  trans-65.191.7170.2-76.8-31.2000110.2S828S828-N830 PolarHBondContact O-N 2.93Å
831R33Very low33.2Very low229 Ų229147.4 Ų147.486%0.86480%0.803SS**  trans-134.155.5-176.9-140.1175.1-165.2-174.35.8115N829N829-R831 PolarHBondContact O-N 2.92Å
832S28.1Very low33.5Very low114 Ų114146.1 Ų146.180%0.79780%0.796SS**  trans-93.9160.5152.9-72.10000110.1
833P36.4Very low33.4Very low118 Ų118149.1 Ų149.177%0.76680%0.796SS**  cis-114.9156.5-1.238.8-28.2000113.3
834K33.4Very low33.4Very low188 Ų188149.8 Ų149.882%0.81779%0.794SS**  trans-152.459.4168.3-154166.1-172.9172.20114.6R836K834-R836 VanDerWaalsContact C-N 3.32Å; K834-R836 PolarHBondContact O-N 2.89Å
835T31.5Very low33.7Very low149 Ų149150 Ų15091%0.91479%0.792SS**  trans-71.184.9166.447.20000110.5
836R32.3Very low33.9Very low224 Ų224155.1 Ų155.185%0.84579%0.793SS**  trans-111.8125.4169-152.3177.4-164.3-1765.7109.5K834K834-R836 VanDerWaalsContact C-N 3.32Å; K834-R836 PolarHBondContact O-N 2.89Å
837S34.4Very low33.8Very low119 Ų119149.3 Ų149.383%0.83279%0.786SS**  trans-69.2143.2-175.954.80000113.3
838S37.1Very low34.1Very low112 Ų112155.9 Ų155.978%0.78380%0.796SS**  trans-146.7146.8140.8-167.90000110
839K32.9Very low34.2Very low194 Ų194157.5 Ų157.584%0.84380%0.797SS**  trans-99.8132.7173.5-68.2176.2179.51750108.6
840H39.5Very low34.2Very low176 Ų176159.5 Ų159.582%0.81580%0.801SS**  trans-130.6131147.2-98.9-91.3000108.7
841N30.4Very low34.3Very low155 Ų155160 Ų16083%0.82980%0.798SS**  trans-13380.2-175-178.614.1000109.5
842T36.9Very low34.1Very low103 Ų103153.4 Ų153.463%0.63279%0.787SS**  trans-163.4140.9179.743.40000107.7
843K32.7Very low34.4Very low175 Ų175153 Ų15376%0.76179%0.785SS**  cis-165.7150.5-6.5-120.8176.2176.9179.40107.6
844I32.6Very low34.1Very low123 Ų123155.6 Ų155.663%0.63179%0.792SS**  trans56.6112.3149.9-55.1160.4000117.9
845M38.3Very low33.8Very low164 Ų164152 Ų15281%0.80879%0.789SS**  179.3109.8123.1-93.9-48.7164.100105.9
846R32.3Very low34Very low228 Ų228150.4 Ų150.486%0.8678%0.784SS**  35.8101.373.3-69.6-172.6179.8171.8-0.7110.4
847G32.1Very low33.9Very low75 Ų75146.9 Ų146.977%0.77378%0.782SS**  cis111.1111.131.200000107
848R40.3Very low33.7Very low236 Ų236146.4 Ų146.489%0.89178%0.779SS**  trans-139.1108.9176.3176.2173.6-73.2165.7-3.5107.5
849D33.8Very low33.3Very low129 Ų129146.3 Ų146.369%0.6978%0.778SS**  trans-68.2161.5174.3-43.7-88.3000110.4
850H35.9Very low33.3Very low184 Ų184143.5 Ų143.585%0.85278%0.778SS**  -166.5132.2124.7-94.5-56.6000111.6
851H36.1Very low32.7Very low165 Ų165140.7 Ų140.776%0.76478%0.777SS**  trans-59.7128.9165.5-70.6-80.9000109.6
852S29.4Very low32.8Very low90 Ų90137.7 Ų137.763%0.62977%0.774SS**  76.3130.463.983.10000114.5
853S33.6Very low32.4Very low106 Ų106137.9 Ų137.974%0.74178%0.78SS**  trans56.6115166.6590000119.6
854N31.3Very low32.3Very low172 Ų172135.5 Ų135.592%0.9278%0.78SS**  -154.4145.8124.3-108.1-21.4000110.6
855C27.2Very low32.2Very low112 Ų112134.8 Ų134.876%0.75779%0.786SS**  trans-148.7110.7-176.852.30000111.9
856S35Very low31.7Very low116 Ų116139.1 Ų139.181%0.81179%0.793SS**  trans-145.8121.2170.2-65.20000106.4
857N29.9Very low31.6Very low151 Ų151133.4 Ų133.481%0.80779%0.789SS**  81.8107.761.4-73.9-3.4000114.4
858S29.9Very low31.6Very low109 Ų109137 Ų13776%0.76279%0.79SS**  trans88.7115.2141.4-54.20000122.1
859S28.5Very low31Very low110 Ų110130 Ų13077%0.76978%0.777SS**  trans65.2107.2132.7610000122.5
860T33.2Very low31Very low135 Ų135134.8 Ų134.883%0.82879%0.787SS**  trans-168.8121.5140.510.30000106.4
861S28.1Very low30.7Very low116 Ų116134.7 Ų134.781%0.81179%0.787SS**  85.414174.4-63.90000114.6
862A32.3Very low30.5Very low92 Ų92130.8 Ų130.876%0.7678%0.784SS**  trans82.6100.2168.400000120.9
863S28.7Very low30.8Very low108 Ų108132 Ų13276%0.75579%0.79SS**  81.6138.8117.1-570000124.3
864T30.4Very low30.8Very low124 Ų124134.2 Ų134.276%0.76179%0.793SS**  trans71.998.914743.50000122.3
865S29.9Very low31Very low108 Ų108132.9 Ų132.976%0.75579%0.791SS**  66.996.7115.2-51.90000121.3
866R28.6Very low31Very low255 Ų255133.1 Ų133.196%0.96279%0.792SS**  -169.9158.5101.7-112.5177.2162.2166.1-5.5113.9
867S29.7Very low30.8Very low109 Ų109134.7 Ų134.776%0.76279%0.791SS**  trans-105132.2-174-42.50000112.5
868N31.5Very low31.1Very low151 Ų151133.2 Ų133.281%0.80779%0.788SS**  trans172.8113.4147.8-87.8-13.5000105.6
869S29.2Very low31.3Very low88 Ų88132.4 Ų132.462%0.61578%0.783SS**  61.9124.46980.70000112.5
870Y32.1Very low31.4Very low229 Ų229134.2 Ų134.290%0.89878%0.784SS**  cis-121.9153.913.2-104.2-96.7000114.6
871E30.6Very low31.5Very low182 Ų182137.5 Ų137.585%0.8579%0.786SS**  trans-81.8113.4177.3-170.8166.7-172.400109.5
872A32.2Very low31.7Very low84 Ų84140.6 Ų140.669%0.69479%0.785SS**  77.2128.696.600000115.4
873P35.8Very low31.8Very low116 Ų116145.6 Ų145.675%0.75379%0.79SS**  trans-94.1166.5-175.837.7-36.5000114.4
874N32.6Very low31.8Very low151 Ų151151.1 Ų151.181%0.80779%0.794SS**  trans64.489.4160.1-62.2-26.6000118.6
875V34.7Very low31.9Very low145 Ų145150.3 Ų150.388%0.87979%0.793SS**  trans-131112.7142.5-175.80000109.8
876C27.6Very low32.1Very low116 Ų116150.7 Ų150.778%0.78479%0.791SS**  trans-92.4130.1161.3-70.80000108.9
877N31.4Very low32.6Very low149 Ų149145.5 Ų145.580%0.79778%0.783SS**  trans-172.5160140-109.3-46.3000115
878T36.1Very low32.8Very low120 Ų120151.3 Ų151.374%0.73679%0.788SS**  trans51.5105.2166.254.60000117.7
879S33.9Very low33.1Very low93 Ų93153.4 Ų153.465%0.6579%0.792SS**  80.4115.356.380.70000116.7
880N30.2Very low33.3Very low147 Ų147155.1 Ų155.179%0.78679%0.794SS**  trans63.993.5144.8-59.1-28.8000121
881K36.7Very low33.7Very low204 Ų204150.8 Ų150.889%0.88779%0.791SS**  trans-168.6132.2130.2-91134.4-170.6175.10107.7
882K30.9Very low33.8Very low182 Ų182150.3 Ų150.379%0.79179%0.788SS**  cis99.5122.832.4-169.2-173.7-175.7173.20112
883K35Very low34.1Very low196 Ų196151.8 Ų151.885%0.85279%0.794SS**  trans82.4161.6178.7-52.9-178.7-175.4178.10116.2
884R29.2Very low34Very low225 Ų225153.6 Ų153.685%0.84980%0.797SS**  cis179.2135.7-37.4-170.9177.2-167.3173.73.6108.1
885S31.9Very low34.1Very low106 Ų106153.2 Ų153.274%0.74180%0.8SS**  trans58.5174.3170.155.40000115.2
886T35.3Very low34.1Very low117 Ų117149.6 Ų149.672%0.71879%0.792SS**  cis-157.3173.121.1-31.90000111.4
887N37.6Very low34.6Very low145 Ų145153.1 Ų153.178%0.77580%0.799SS**  trans67.7126.8-179.2-64.4-7.1000115
888R34Very low34.5Very low231 Ų231151 Ų15187%0.87280%0.796SS**  cis70.5110.528.2-60.6-170.3177.1174.7-0.9115.8
889H37.5Very low34.2Very low195 Ų195156 Ų15690%0.90380%0.803SS**  trans-134.8164.2149.8-141.647.2000108.7
890I34Very low34.3Very low125 Ų125160.8 Ų160.864%0.64182%0.815SS**  trans-137.6135.2-162.5-59.4168000110.1
891T40.9Very low34.5Very low137 Ų137161.4 Ų161.484%0.8482%0.818SS**  trans-175.3177.6143.6160000110.6
892H32.9Very low34.5Very low172 Ų172159.2 Ų159.280%0.79682%0.816SS**  trans-127.7154-154.7-48.6-99.2000114.3
893S38.6Very low34.4Very low116 Ų116156.4 Ų156.481%0.81182%0.82SS**  trans-155.3161.7157.954.30000111.5
894N33.1Very low34.3Very low154 Ų154152.2 Ų152.282%0.82481%0.812SS**  trans-63.7145.8-170.9-64.4-9.2000112.5
895V34.1Very low34.4Very low142 Ų142147.7 Ų147.786%0.86181%0.805SS**  cis74.594.338.3-174.60000113.3
896G35.3Very low34.4Very low69 Ų69150.9 Ų150.971%0.71181%0.808SS**  trans-167.599.316700000108
897M37.7Very low34.1Very low190 Ų190150.9 Ų150.994%0.93681%0.813SS**  trans-145.2134-171.9-80.4-67.4-154.300110.5
898S30.9Very low34Very low105 Ų105149.3 Ų149.373%0.73481%0.813SS**  trans-143.6109.4170.455.40000110
899Y29.4Very low33.9Very low225 Ų225146.4 Ų146.488%0.88281%0.81SS**  trans29.2110.9153.8-53.4-81.4000119.6
900E34.7Very low33.5Very low193 Ų193146.1 Ų146.190%0.90281%0.806SS**  trans-156.3126.6133.5-111.5152.8-165.100111.8
901D35.8Very low33.6Very low160 Ų160144.4 Ų144.486%0.85681%0.811SS**  trans35.2138.5168.8-67-22.5000125.2
902N35.2Very low33.1Very low159 Ų159146.5 Ų146.585%0.8581%0.81SS**  trans-115.9133.5-173.8-72.4-91.4000113.2
903S29.1Very low33.4Very low123 Ų123146.8 Ų146.886%0.8681%0.81SS**  trans-175.2146.8139.8-87.20000110.6
904P34.1Very low33.2Very low107 Ų107151.9 Ų151.970%0.69581%0.811SS**  cis-131.6168.912.641.8-26.8000116.6
905N30.4Very low33.2Very low130 Ų130148.6 Ų148.670%0.69580%0.8SS**  trans64.3113.9148.5-78.6-40.4000122.5
906Q31.9Very low33.2Very low173 Ų173148.4 Ų148.481%0.80880%0.795SS**  72.4110.3127.1-61.8173.937.300121
907S28.5Very low33.5Very low117 Ų117152 Ų15282%0.81880%0.797SS**  -156134.8116.261.90000114
908S35Very low33.7Very low112 Ų112149.4 Ų149.478%0.78379%0.793SS**  trans23.2121.4146.51770000121.5
909Q33.4Very low33.8Very low170 Ų170147.7 Ų147.779%0.79479%0.792SS**  trans-136.9142.5136.6-85.2-153.111.500111.2
910F29.5Very low34Very low190 Ų190144.2 Ų144.283%0.83379%0.788SS**  trans32135.5158.2-69.1-93.4000120.4
911A35.6Very low34Very low89 Ų89139.8 Ų139.874%0.73678%0.779SS**  cis-151.4163.222.900000113.9
912H30.5Very low33.9Very low180 Ų180137.6 Ų137.683%0.83378%0.776SS**  trans-78.4139.5169.8-83.1-99.9000112.3
913F38.9Very low33.9Very low179 Ų179137.4 Ų137.479%0.78578%0.775SS**  trans-161121.8137.7-93.8-65.7000110.7
914R34Very low33.9Very low222 Ų222135.6 Ų135.684%0.83876%0.762SS**  trans50.1147.6145.2-66.7173.7-177.9-179.1-0.4120.3
915S33Very low34Very low85 Ų85136 Ų13659%0.59477%0.767SS**  cis-167.2132.2-17.1-111.50000108.5
916D34.6Very low34.4Very low139 Ų139137.4 Ų137.474%0.74378%0.775SS**  trans59.8175.3138-50.9-58.7000121.1
917D40.8Very low34.5Very low143 Ų143137.5 Ų137.577%0.76578%0.775SS**  trans71.392.3164.4-65.3-19.3000123.5
918T42.8Very low34.8Very low137 Ų137140.5 Ų140.584%0.8478%0.777SS**  91.6143.5119.962.60000123.7
919G31.7Very low35Very low69 Ų69142.2 Ų142.271%0.71178%0.777SS**  trans84.982.5146.600000116.2
920D35.3Very low35.1Very low151 Ų151144.6 Ų144.681%0.80778%0.779SS**  64.2143.350-16024.4000115.3
921S34.7Very low35.4Very low101 Ų101140.3 Ų140.371%0.70678%0.778SS**  trans62.5126.1-170.567.10000115.3
922S31.8Very low35.5Very low114 Ų114143.1 Ų143.180%0.79778%0.78SS**  cis71.7111.233.9-50.70000114.2
923D35.7Very low36Very low155 Ų155140.7 Ų140.783%0.82978%0.78SS**  171.2172101.2-160.48.8000111.1
924S30.2Very low36.1Very low84 Ų84135.7 Ų135.759%0.58777%0.772SS**  trans36.598.4156.564.40000118.4
925S35.8Very low36Very low115 Ų115130.3 Ų130.380%0.80478%0.775SS**  59.199.780.374.40000115.9
926D37.7Very low36.1Very low161 Ų161136.6 Ų136.686%0.86179%0.787SS**  -150.4148.5129.8-146-15.1000112.1
927Q34.4Very low36.3Very low175 Ų175134.1 Ų134.182%0.81879%0.786SS**  trans-110.1100.8175.7-75-173-4.900110.6
928Q36.4Very low36Very low180 Ų180134.2 Ų134.284%0.84179%0.787SS**  trans-142.7146.9153.8-86.6-52.9-3300112.7
929N38.4Very low35.9Very low147 Ų147132.5 Ų132.579%0.78678%0.778SS**  trans-86.4124.8-178.9-84.9-91.8000111.6A931N929-A931 PolarHBondContact O-N 3.12Å
930R35.3Very low36.2Very low221 Ų221138.3 Ų138.383%0.83479%0.786SS**  trans53.763.8132.8-159-178.6-161.81515.8116.1
931A35.5Very low36.2Very low100 Ų100139.9 Ų139.983%0.82679%0.788SS**  trans-62.4141.3152.500000109.5N929N929-A931 PolarHBondContact O-N 3.12Å
932L37.2Very low36.3Very low147 Ų147140.1 Ų140.177%0.7779%0.79SS**  trans-83.1155.9176.6-72.8173.1000111.2A934L932-A934 PolarHBondContact O-N 3.47Å
933P42.2Very low36.6Very low130 Ų130140.8 Ų140.884%0.84479%0.785SS**  trans-66.4107.6-179.7-17.531.5000111.3
934A39.6Very low36.4Very low74 Ų74142.6 Ų142.661%0.61278%0.78SS**  trans-89.7128.5165.700000108.7L932 Y936L932-A934 PolarHBondContact O-N 3.47Å; A934-Y936 VanDerWaalsContact C-N 3.29Å; A934-Y936 HydrophobicContact CB-CD2 4.39Å; A934-Y936 PolarHBondContact O-N 3.27Å
935A32.2Very low36.8Very low109 Ų109145.9 Ų145.990%0.90179%0.786SS**  trans-75.378.7-178.900000112
936Y36.7Very low36.6Very low216 Ų216148.9 Ų148.985%0.84779%0.787SS**  trans-138.5133.6164-69.5-92.7000106.1A934A934-Y936 VanDerWaalsContact C-N 3.29Å; A934-Y936 HydrophobicContact CB-CD2 4.39Å; A934-Y936 PolarHBondContact O-N 3.27Å
937A38.4Very low36.4Very low87 Ų87145.8 Ų145.872%0.71978%0.778SS**  cis-147.4179.6-7.200000106.8
938N33.3Very low36.5Very low146 Ų146145.9 Ų145.978%0.78178%0.778SS**  cis-153.2157.19.8-138.97.5000107.5
939P41.3Very low36.3Very low100 Ų100142.2 Ų142.265%0.64977%0.773SS**  trans-77.8140.3179.731.8-32.4000111.7Q941P939-Q941 PolarHBondContact O-N 2.89Å
940H37.2Very low36.2Very low192 Ų192140.8 Ų140.889%0.88977%0.774SS**  trans-71.8124.7163.1-87.7-99.9000109.6
941Q36.8Very low36.3Very low183 Ų183133.5 Ų133.586%0.85577%0.768SS**  trans-111131.7164.6-70-170.1-11.900109.2P939P939-Q941 PolarHBondContact O-N 2.89Å
942S37.3Very low36.4Very low106 Ų106136.1 Ų136.174%0.74177%0.768SS**  trans-153.4132.2165.7530000110.4
943D37.5Very low36.2Very low129 Ų129135 Ų13569%0.6977%0.767SS**  trans66.4144.6177.4-65.2-42.7000119.8
944R31.7Very low35.8Very low193 Ų193137.4 Ų137.473%0.72877%0.767SS**  cis161.1168.2-37.2171.8-174.2-164.1168.71.7109.3
945H38.3Very low36Very low152 Ų152139.4 Ų139.470%0.70477%0.773SS**  trans71.2114.1-175-47.8-81.4000112.5
946Q30.9Very low36.8Very low178 Ų178139.9 Ų139.983%0.83277%0.767SS**  cis78.8148.742.2-66.3-161.3-11.300115.8
947S34.5Very low37.7Very low96 Ų96135.7 Ų135.767%0.67177%0.766SS**  trans86.7143.6179.6-370000113.8
948H36.2Very low38Very low178 Ų178136 Ų13682%0.82477%0.769SS**  cis-135.813914.7-62.9-99.2000114.5
949S31.8Very low38.5Very low103 Ų103134.7 Ų134.772%0.7277%0.769SS**  49132.1123.1-1520000124.3
950S37.5Very low38.3Very low117 Ų117136 Ų13682%0.81878%0.78SS**  trans67.3147.313456.20000123.3
951G36.8Very low38.5Very low68 Ų68131.9 Ų131.970%0.70177%0.771SS**  trans109.399.9-178.800000110.8
952D36.5Very low38.4Very low154 Ų154135 Ų13582%0.82477%0.774SS**  cis61.2133.432.9-76.6-19.3000116.1
953V33.1Very low38Very low124 Ų124134.5 Ų134.575%0.75277%0.771SS**  cis-163.8161.7-34.1114.70000109.8
954E34.8Very low37.5Very low180 Ų180134 Ų13484%0.84178%0.777SS**  trans74136.3167.8-146.9162-161.500120.9
955P44Very low37.6Very low116 Ų116129.9 Ų129.975%0.75378%0.779SS**  trans-102.6-177.2178.443.1-36.6000113.6
956P48.9Very low37.1Very low119 Ų119127.4 Ų127.477%0.77378%0.778SS**  trans-98.7163.5-152.538.3-37.6000117.4
957P55.4Low37Very low128 Ų128124.1 Ų124.183%0.83178%0.775SS**  trans-82171.5168.735.6-36.6000113.9
958A43.4Very low36.6Very low93 Ų93125.5 Ų125.577%0.76978%0.779SS**  trans-136.8-163.4179.300000110.1
959P45.1Very low36.1Very low120 Ų120121.7 Ų121.778%0.77977%0.773SS**  -118.8162.6-62.135.1-23.7000112.7
960S36.2Very low35.9Very low126 Ų126122.2 Ų122.288%0.88178%0.776SS**  trans-164.7163161.4-92.80000115.2
961P41.8Very low35.2Very low107 Ų107121.2 Ų121.270%0.69577%0.77SS**  trans-126.3156.9-158.740.5-25.8000117.8
962R35Very low35.1Very low247 Ų247123.2 Ų123.293%0.93277%0.773SS**  trans-138.7122.5146.6-76-178.8168.6-175.9-4.8106.4
963S27.9Very low34.6Very low97 Ų97121 Ų12168%0.67877%0.769SS**  cis89.1117.537-57.70000114.2
964S27.7Very low34.2Very low117 Ų117120.1 Ų120.182%0.81877%0.769SS**  trans53.8111.1159.458.20000120.3
965S33.1Very low34Very low108 Ų108121.8 Ų121.876%0.75577%0.767SS**  -179.2148.210654.10000113.1
966S29.6Very low33.5Very low99 Ų99121.9 Ų121.969%0.69277%0.771SS**  trans54.5118.3160.550.80000118.8
967S27.4Very low32.7Very low110 Ų110124.4 Ų124.477%0.76977%0.766SS**  68.7132.886.1-50.20000113.5
968T26.7Very low31.4Very low124 Ų124122.3 Ų122.376%0.76175%0.754SS**  cis-156148.916.7-18.60000112.3
969S25.4Very low30.7Very low98 Ų98126.1 Ų126.169%0.68576%0.755SS**  trans25.4110.4147.8600000120.4
970S27Very low30Very low114 Ų114125.8 Ų125.880%0.79775%0.746SS**  155.7148.8120.7-76.60000112.6
971S24.2Very low29.6Very low97 Ų97130.8 Ų130.868%0.67875%0.745SS**  cis-167.5158.3-20.3-97.30000107.9
972S33Very low29.1Very low110 Ų110130.3 Ų130.377%0.76975%0.745SS**  trans41.581.3163.554.80000115.4
973S27.6Very low29Very low106 Ų106124.3 Ų124.374%0.74174%0.74SS**  50.494.363.3-1520000110.5
974S24.8Very low29.1Very low107 Ų107124.3 Ų124.375%0.74874%0.741SS**  7610682.8-64.70000113.8
975R29.2Very low29.2Very low214 Ų214123.2 Ų123.281%0.80873%0.733SS**  trans-173.790.2144.6-110165.4165.6176.5-6.5112Y977R975-Y977 PolarHBondContact O-N 2.9Å
976S33.5Very low29Very low119 Ų119125.4 Ų125.483%0.83274%0.736SS**  trans-7299139.550.30000106.4
977Y33.3Very low29.4Very low172 Ų172125.8 Ų125.868%0.67574%0.736SS**  trans-69.2137.2-176.1-169.6-91.6000110.7R975R975-Y977 PolarHBondContact O-N 2.9Å
978C28.4Very low29.7Very low83 Ų83126.6 Ų126.656%0.56174%0.739SS**  trans-81.8140.5-173.2-49.20000112.1
979H28.3Very low29.9Very low173 Ų173128.5 Ų128.580%0.80174%0.739SS**  trans63.5177166.2-47.1-59.1000112.9
980I29Very low30.2Very low114 Ų114129.6 Ų129.659%0.58574%0.737SS**  cis-155.3144.834.9-71.7176.9000109.5
981R27.8Very low30.7Very low230 Ų230131.1 Ų131.187%0.86874%0.737SS**  trans65.1158.2166.2-72.2159.6-162.8162.62.3117.2
982S31.5Very low30.9Very low98 Ų98136 Ų13669%0.68575%0.745SS**  cis-169.9164.3-29.3-98.60000109.4
983S32.7Very low30.9Very low120 Ų120137.6 Ų137.684%0.83974%0.744SS**  trans69.6142166.9-50.30000115.6
984S31.2Very low31.1Very low98 Ų98140.7 Ų140.769%0.68575%0.747SS**  cis-147.3118.2-7.645.50000106.9
985S29.3Very low31.3Very low93 Ų93140 Ų14065%0.6575%0.748SS**  42.212696.869.10000113.2
986N29Very low31.6Very low155 Ų155138.3 Ų138.383%0.82975%0.753SS**  cis145.7170.726.5-93.5-11.3000103.2
987P37.4Very low31.4Very low106 Ų106138.3 Ų138.369%0.68875%0.752SS**  cis-119.1172.8-49.138.9-25.8000111.1
988P33.7Very low31.5Very low128 Ų128136.2 Ų136.283%0.83176%0.763SS**  trans-92.9134.1170.134.2-29.9000112.2
989E32.6Very low31.4Very low164 Ų164135.9 Ų135.977%0.76677%0.774SS**  trans-137.2128.6172.1-85.3-147.6172.300115
990N30.8Very low31.3Very low120 Ų120133.4 Ų133.464%0.64278%0.776SS**  trans69.4155138.1-65.6-40.3000122.3
991N37.4Very low31.4Very low147 Ų147132.2 Ų132.279%0.78678%0.778SS**  trans67.6103.9173-50.1-36.7000115
992K27.9Very low31.6Very low199 Ų199131.7 Ų131.787%0.86578%0.776SS**  cis6393.125.7-167.3-170.4-178.5-176.80114.2
993I33.2Very low31.6Very low144 Ų144134.1 Ų134.174%0.73878%0.776SS**  trans-166.5146.4157.4-106.9153.8000110.2
994Q32.9Very low31.4Very low170 Ų170134 Ų13479%0.79478%0.775SS**  trans33.7125.7162.5-65.2156.39.600119.5
995A28Very low31.4Very low93 Ų93134.9 Ų134.977%0.76978%0.781SS**  cis70.392.228.700000116
996I36.6Very low31.3Very low179 Ų179137.4 Ų137.492%0.91879%0.793SS**  trans-150.4144144.228.1170.9000109.8
997S27.8Very low31.3Very low118 Ų118134.5 Ų134.583%0.82579%0.785SS**  trans-86.5147.6-177.8-540000112.4
998S35.8Very low31.1Very low129 Ų129138.4 Ų138.490%0.90279%0.794SS**  trans-158.7112.7159.2-84.30000113.9
999G27.2Very low30.8Very low76 Ų76136.7 Ų136.778%0.78479%0.785SS**  65.182127.400000121
1000S26.3Very low30.8Very low120 Ų120136.9 Ų136.984%0.83979%0.786SS**  60.1149.9124.1-160.10000122.2
1001S30.4Very low31.1Very low90 Ų90135.9 Ų135.963%0.62978%0.781SS**  trans66.6111.4163.9-129.30000115.7
1002R32.3Very low30.8Very low218 Ų218138 Ų13882%0.82378%0.778SS**  cis-158.6148.945.1-77.9-172.7175.8-176.4-2.3114.1
1003H30.3Very low30.9Very low149 Ų149133 Ų13369%0.6976%0.764SS**  trans-17.7133.3169.4-19.3-74000119.7
1004S29.9Very low30.9Very low118 Ų118135.7 Ų135.783%0.82576%0.764SS**  trans54.693.4137.4-52.30000119.4
1005S30.6Very low30.8Very low116 Ų116134.6 Ų134.681%0.81176%0.759SS**  trans-112.5106.5153.1-63.80000109.6S1007S1005-S1007 PolarHBondContact O-N 3.22Å
1006T28Very low30.9Very low146 Ų146135.4 Ų135.490%0.89675%0.754SS**  trans-70.3125.4166.6-54.60000108.3
1007S28.9Very low30.8Very low94 Ų94134.3 Ų134.366%0.65775%0.745SS**  trans-157.7126.8-179.9-78.40000111.5S1005S1005-S1007 PolarHBondContact O-N 3.22Å
1008Q32.9Very low31Very low188 Ų188133 Ų13388%0.87974%0.736SS**  trans65157.3167-63.3-170-6.400115.7
1009S28.4Very low31Very low93 Ų93135.2 Ų135.265%0.6573%0.73SS**  cis-167.5-174.8-23.2-97.20000107.6
1010Q31.8Very low31.3Very low168 Ų168136.4 Ų136.479%0.78573%0.726SS**  trans77.2150.8177-48.4-177.329.900112.3
1011D36.2Very low31.7Very low99 Ų99140.4 Ų140.453%0.52972%0.723SS.*  cis-130.1150.34.9-129.81.1000110
1012R31.6Very low31.8Very low191 Ų191147.8 Ų147.872%0.72174%0.737SS**  46.8151101.7-74.2-175.4-165.8125.8-8.5117.1
1013V30.5Very low32.1Very low94 Ų94145.4 Ų145.457%0.5774%0.735SS**  cis-177.5159.6-21.370.10000107.3
1014R32.4Very low32.3Very low200 Ų200141.5 Ų141.576%0.75574%0.735SS**  trans65.8165.4165.1-65171.2-151.9148.85113.9
1015H32Very low32.7Very low148 Ų148143.9 Ų143.969%0.68574%0.737SS**  cis-153.7167-21.5-111.8-33000108.1
1016T29.3Very low33Very low109 Ų109146.9 Ų146.967%0.66974%0.735SS**  trans26.8134.1145.669.30000119.4
1017Q34.9Very low33.4Very low156 Ų156145.7 Ų145.773%0.72973%0.73SS**  -151.9148.956.4-82.6-169.341.900111.5
1018S32.4Very low33.8Very low91 Ų91149.5 Ų149.564%0.63674%0.735SS**  39.2125.395.4-42.10000113.8
1019K35.5Very low33.9Very low175 Ų175145.2 Ų145.276%0.76173%0.725SS**  cis-138.1152.618-89.6108.4178.9-178.20110
1020S32.9Very low34.1Very low101 Ų101150.5 Ų150.571%0.70674%0.737SS**  46.613297.4129.20000114.3
1021R35.3Very low34.3Very low205 Ų205151.7 Ų151.777%0.77474%0.739SS**  cis-153.614043.6-156.1170.1171169.9-3.9113.6Q1023R1021-Q1023 PolarHBondContact O-N 3.06Å
1022R30.9Very low34.2Very low244 Ų244153.6 Ų153.692%0.92175%0.749SS**  trans-60.2115.3153.7-84.2177.6161.5-165.4-2.6109
1023Q38.7Very low34.2Very low168 Ų168151.2 Ų151.279%0.78575%0.751SS**  trans-140.3141.7133-66.8-15789.500107.3R1021R1021-Q1023 PolarHBondContact O-N 3.06Å
1024G35.2Very low34.4Very low67 Ų67153 Ų15369%0.69176%0.757SS**  cis151.293.70.300000109.3K1026G1024-K1026 PolarHBondContact O-N 2.96Å
1025I38.3Very low34.4Very low169 Ų169149 Ų14987%0.86776%0.759SS**  trans-61.3102-170-55165.2000111.2
1026K36.4Very low34.5Very low178 Ų178149.3 Ų149.377%0.77477%0.766SS**  trans-152.795.9159.6-74.9-163.4-178.9170.40112.8G1024 K1028G1024-K1026 PolarHBondContact O-N 2.96Å; K1026-K1028 PolarHBondContact O-N 3.42Å
1027P37.4Very low34.7Very low122 Ų122150.7 Ų150.779%0.79277%0.769SS**  trans-69.7101.814429.8-30.3000108.6
1028K36.4Very low34.9Very low174 Ų174151 Ų15176%0.75777%0.77SS**  trans-143.691.8160-79.6-148.8172.8-163.20108.7K1026K1026-K1028 PolarHBondContact O-N 3.42Å
1029S34.6Very low34.9Very low97 Ų97153.7 Ų153.768%0.67878%0.778SS**  82.8106.97471.50000113.1
1030K34.3Very low34.8Very low205 Ų205153.8 Ų153.889%0.89178%0.781SS**  trans62.5117.9166-55.9-172.9176-166.10117.4
1031K34.7Very low34.8Very low193 Ų193157 Ų15784%0.83979%0.785SS**  179.4161.7116.3-100.9-174.8172.4-157.90110.6
1032L35.3Very low34.7Very low138 Ų138153.1 Ų153.172%0.72378%0.784SS**  trans70.2129.8173.9-50.5-174.7000113.7
1033N31.4Very low35Very low142 Ų142152.8 Ų152.876%0.75978%0.783SS**  cis-113.2164.1-7.5-61.3-42.6000109.5
1034D34.9Very low34.8Very low132 Ų132150.7 Ų150.771%0.70679%0.787SS**  cis76.856.620.7-59.2-15.5000115.9
1035S32.5Very low34.7Very low115 Ų115155.7 Ų155.780%0.80480%0.797SS**  trans-156111.5152.3-65.60000104.3
1036D34.3Very low34.7Very low155 Ų155157.4 Ų157.483%0.82980%0.798SS**  cis62.6143.339-83.3-33.3000114.7
1037D33.1Very low34.5Very low137 Ų137155.1 Ų155.173%0.73379%0.79SS**  trans66.1127-171.7-77.4-44.9000117.5
1038H39.1Very low34.8Very low162 Ų162159.5 Ų159.575%0.7580%0.796SS**  cis-134.3146.2-2.6-59.2-64.8000112
1039N32.6Very low34.6Very low149 Ų149158.3 Ų158.380%0.79779%0.791SS**  169.1100.8117.6-173.2-15.7000110.9
1040Q31.9Very low35.1Very low177 Ų177163.6 Ų163.683%0.82780%0.802SS**  trans-93.1117162.9-71-167.76500110.5
1041Q34.3Very low35Very low169 Ų169161.6 Ų161.679%0.7980%0.798SS**  trans-177.290.7140.4-103165.557.300110.9
1042T32.5Very low34.9Very low122 Ų122157.4 Ų157.475%0.74879%0.793SS**  51.979.286.271.10000115.8
1043R36.3Very low34.5Very low237 Ų237157.2 Ų157.289%0.89480%0.798SS**  trans-138.898.2155.2-74.1-167.3179.6-171.61112.2
1044S35.3Very low34.7Very low125 Ų125156 Ų15687%0.87480%0.8SS**  trans156.8103.8140.549.40000112.3
1045L33Very low34.4Very low171 Ų171156.8 Ų156.890%0.89580%0.804SS**  trans-73.7134.2157.9-74.1150.9000109.1
1046K38Very low34.6Very low206 Ų206157.6 Ų157.690%0.89681%0.808SS**  -167.6131.8111.5-129.8156.8-177164.70113.2
1047E32.9Very low34.5Very low129 Ų129158.2 Ų158.260%0.60381%0.805SS**  trans-72.5153.4171.7-57.9178.49300112.3K1049E1047-K1049 WeakPolarHBondContact OE1-CE 3.21Å; E1047-K1049 IonicContact OE1-NZ 2.7Å; E1047-K1049 PolarHBondContact OE1-NZ 3.05Å; E1047-K1049 IonicContact OE2-NZ 3.89Å
1048K42.7Very low34.4Very low214 Ų214163.6 Ų163.693%0.9382%0.815SS**  trans-135.284.3144.5-78.9-163.2174.1-179.90110.9
1049K33.3Very low34Very low149 Ų149160.2 Ų160.265%0.64881%0.81SS**  trans-64.5128.3161.4-72.1173.3174.3122.50109.7E1047E1047-K1049 WeakPolarHBondContact OE1-CE 3.21Å; E1047-K1049 IonicContact OE1-NZ 2.7Å; E1047-K1049 PolarHBondContact OE1-NZ 3.05Å; E1047-K1049 IonicContact OE2-NZ 3.89Å
1050K44.3Very low34.2Very low209 Ų209158.5 Ų158.591%0.90981%0.809SS**  trans-143.7148.9142.9-75.5-155.5174.2-169.80108.5
1051M31.8Very low34.1Very low162 Ų162156.7 Ų156.780%0.79881%0.805SS**  trans-134.1-176.8-173.9-64.8-178.4173.100109.6
1052S32.7Very low34Very low105 Ų105153.2 Ų153.273%0.73480%0.8SS**  trans74.4102.7168.2-50.80000114.9
1053T27.4Very low34Very low135 Ų135152.6 Ų152.683%0.82880%0.796SS**  76.7114.170.4620000115.5
1054S35.4Very low33.8Very low115 Ų115147.9 Ų147.980%0.80479%0.788SS**  trans-157.9149.6146.945.30000109.9
1055L29.3Very low34.1Very low150 Ų150148.3 Ų148.379%0.78578%0.781SS**  trans-99.5142.9172.4-91.659.6000108.9
1056C37.4Very low34.1Very low132 Ų132147 Ų14789%0.89277%0.773SS**  trans-130.9119.2159.9-76.50000109.2
1057H30.8Very low34.1Very low168 Ų168144.3 Ų144.378%0.77877%0.768SS**  trans-81.9146.6163.2-76.8-104000109.6
1058R32.2Very low34.1Very low250 Ų250144.5 Ų144.594%0.94377%0.774SS**  trans-155116.8143.1-119.3171.9-174.8160.13109.7
1059S29.4Very low33.6Very low91 Ų91140.7 Ų140.764%0.63676%0.763SS**  trans-83.4153.9164.2-59.90000109.3
1060S36.5Very low33.7Very low112 Ų112141.1 Ų141.178%0.78377%0.773SS**  trans-139.1122.3141.6-48.80000103.1
1061D31.6Very low33Very low139 Ų139139.8 Ų139.874%0.74376%0.762SS**  56.6126.150.2-55.7-37.3000110.7
1062S32Very low33.2Very low96 Ų96142.9 Ų142.967%0.67177%0.765SS**  cis-168.7-179-0.950.90000109.5
1063V31.3Very low33.4Very low109 Ų109144.5 Ų144.566%0.66176%0.761SS**  trans69102.9155.7170.40000113.3
1064D32.2Very low34.1Very low139 Ų139144.7 Ų144.774%0.74376%0.755SS**  60.1120.265.1-57.3-61.9000112.7
1065D41.3Very low34Very low134 Ų134143.8 Ų143.872%0.71775%0.749SS**  175.3130.3118-96.1-25.5000112.9
1066I32.9Very low33.8Very low142 Ų142143.9 Ų143.973%0.72875%0.751SS**  trans34.4106.8130.7-50.3166.2000116.8
1067N39.1Very low33.7Very low150 Ų150142.6 Ų142.680%0.80274%0.741SS**  -157.9112.2107.1-142.37.2000113.1
1068D33.3Very low33.8Very low134 Ų134140.3 Ų140.372%0.71774%0.738SS**  trans-79.5173157.5-93.5-52.8000110.2
1069N30.9Very low33.9Very low133 Ų133139 Ų13971%0.71174%0.735SS**  trans6485162.8-60.2-52.2000118.4
1070N35.1Very low34Very low158 Ų158139.2 Ų139.285%0.84574%0.736SS**  -148.590.2124.1-102-58.1000107.6
1071R31.5Very low33.8Very low182 Ų182144.2 Ų144.269%0.68774%0.739SS**  45.275.471.5-158179.2-166.6-140.6-10.1112.6E1073R1071-E1073 IonicContact CZ-OE1 3.73Å; R1071-E1073 VanDerWaalsContact CZ-OE1 3.28Å; R1071-E1073 IonicContact CZ-OE2 2.8Å; R1071-E1073 IonicContact NE-OE1 3.77Å; R1071-E1073 PolarHBondContact NE-OE1 3.11Å; R1071-E1073 IonicContact NE-OE2 3.78Å; R1071-E1073 VanDerWaalsContact NH2-CD 3.29Å; R1071-E1073 IonicContact NH2-OE1 3.3Å; R1071-E1073 PolarHBondContact NH2-OE1 2.66Å; R1071-E1073 IonicContact NH2-OE2 3.86Å; R1071-E1073 PolarHBondContact NH2-OE2 3.3Å
1072R36Very low33.9Very low226 Ų226147.9 Ų147.985%0.85374%0.743SS**  trans-129.379.9150.9-151.1175.5-65.2-152.62.6109.6I1074R1072-I1074 HydrophobicContact CG-CG1 4.47Å; R1072-I1074 PolarHBondContact O-N 3.41Å
1073E36Very low33.9Very low140 Ų140149.9 Ų149.965%0.65475%0.746SS**  trans-59.3116.8164.8-73.5149.4-134.800108.8R1071R1071-E1073 IonicContact CZ-OE1 3.73Å; R1071-E1073 VanDerWaalsContact CZ-OE1 3.28Å; R1071-E1073 IonicContact CZ-OE2 2.8Å; R1071-E1073 IonicContact NE-OE1 3.77Å; R1071-E1073 PolarHBondContact NE-OE1 3.11Å; R1071-E1073 IonicContact NE-OE2 3.78Å; R1071-E1073 VanDerWaalsContact NH2-CD 3.29Å; R1071-E1073 IonicContact NH2-OE1 3.3Å; R1071-E1073 PolarHBondContact NH2-OE1 2.66Å; R1071-E1073 IonicContact NH2-OE2 3.86Å; R1071-E1073 PolarHBondContact NH2-OE2 3.3Å
1074I42Very low34.1Very low138 Ų138148.5 Ų148.571%0.70874%0.741SS**  trans-129.796.3160.1-60.6-177000106.7R1072R1072-I1074 HydrophobicContact CG-CG1 4.47Å; R1072-I1074 PolarHBondContact O-N 3.41Å
1075S32.9Very low34.3Very low96 Ų96147.3 Ų147.367%0.67174%0.743SS**  trans20.2114159.757.70000118.6P1077S1075-P1077 VanDerWaalsContact O-CD 3.24Å; S1075-P1077 WeakPolarHBondContact O-CD 3.5Å
1076N25.9Very low34.1Very low153 Ų153146 Ų14682%0.81875%0.745SS**  trans-61.9136143.3-92.4-21.2000109.3
1077P35.6Very low34.3Very low105 Ų105146.1 Ų146.168%0.68275%0.747SS**  trans-114.5108.2137.732.8-28000109.4S1075 Y1079S1075-P1077 VanDerWaalsContact O-CD 3.24Å; S1075-P1077 WeakPolarHBondContact O-CD 3.5Å; P1077-Y1079 PolarHBondContact O-N 3.15Å
1078V31.4Very low34Very low120 Ų120145.4 Ų145.473%0.72774%0.742SS**  trans-75.2116167.1175.50000107.8
1079Y35.2Very low34.3Very low223 Ų223148.4 Ų148.488%0.87575%0.749SS**  trans-108.8103.9162.3-105.6-83.3000109.2P1077P1077-Y1079 PolarHBondContact O-N 3.15Å
1080S32.1Very low34.7Very low94 Ų94148.4 Ų148.466%0.65775%0.749SS**  trans-75.4157.8173.9520000111.7
1081Y31.2Very low34.8Very low217 Ų217148.9 Ų148.985%0.85175%0.75SS**  trans-32.7132.3171.3-73.5-101.5000114.3
1082R33.9Very low34.8Very low216 Ų216145 Ų14582%0.81575%0.751SS**  trans-118.177.7166-166.1-168.8-172.5-156.10.5109.6S1084R1082-S1084 PolarHBondContact O-N 2.96Å; R1082-S1084 PolarHBondContact O-OG 2.79Å
1083D31.8Very low34.6Very low139 Ų139138.9 Ų138.974%0.74374%0.743SS**  trans-57.2107.8168.5-69.7-42.5000108.7S1085D1083-S1085 PolarHBondContact O-N 3.31Å
1084S36.7Very low34.5Very low79 Ų79141.7 Ų141.755%0.55275%0.753SS**  trans-103.253.8-168.4-61.50000110.7R1082 S1086R1082-S1084 PolarHBondContact O-N 2.96Å; R1082-S1084 PolarHBondContact O-OG 2.79Å; S1084-S1086 PolarHBondContact O-N 3.22Å; S1084-S1086 VanDerWaalsContact O-N 3.14Å
1085S35.8Very low34Very low114 Ų114143.7 Ų143.780%0.79776%0.759SS**  trans-74.690.4162550000108.7D1083D1083-S1085 PolarHBondContact O-N 3.31Å
1086S37.2Very low34Very low106 Ų106144.2 Ų144.274%0.74176%0.763SS**  trans-123.7122.717261.30000109.6S1084S1084-S1086 PolarHBondContact O-N 3.22Å; S1084-S1086 VanDerWaalsContact O-N 3.14Å
1087D36.5Very low34.2Very low145 Ų145142 Ų14278%0.77576%0.76SS**  trans-69.7166.5-166.1-60.5-80.7000116.3
1088L32.2Very low34.2Very low135 Ų135144.6 Ų144.671%0.70777%0.766SS**  trans18.7119.1160.5-8270.9000118.4D1090L1088-D1090 WeakPolarHBondContact CD2-OD2 3.35Å
1089K40.8Very low34.3Very low197 Ų197145.8 Ų145.886%0.85777%0.767SS**  trans-130.475.8145.9-78.2-166174.4-178.40111.1I1091K1089-I1091 PolarHBondContact O-N 3.36Å
1090D38.8Very low34.4Very low134 Ų134146.6 Ų146.672%0.71777%0.769SS**  trans-6896.6166.8-66.8-51.2000109.9L1088 S1092L1088-D1090 WeakPolarHBondContact CD2-OD2 3.35Å; D1090-S1092 PolarHBondContact O-N 2.94Å
1091I37.3Very low34.4Very low167 Ų167153.5 Ų153.586%0.85678%0.78SS**  trans-76.271.117347.5166.7000110.9K1089K1089-I1091 PolarHBondContact O-N 3.36Å
1092S30.9Very low34.5Very low101 Ų101146.8 Ų146.871%0.70678%0.778SS**  trans-73.1163.6171.5-1670000112.5D1090D1090-S1092 PolarHBondContact O-N 2.94Å
1093S32.3Very low34.5Very low98 Ų98144.7 Ų144.769%0.68578%0.777SS**  trans6594.3166.1-56.60000117.9
1094K33.6Very low34.8Very low199 Ų199145.9 Ų145.987%0.86578%0.783SS**  -161.396.7120.6-111165.3-173.9175.80113.6
1095E30.8Very low34.5Very low179 Ų179148.7 Ų148.784%0.83680%0.797SS**  trans-67.5151.8148.565.3-148.7105.500110.1
1096S34.7Very low34.5Very low108 Ų108155 Ų15576%0.75580%0.803SS**  trans-158.2103.7171.1-74.80000109.8
1097S29.3Very low34.1Very low107 Ų107154.3 Ų154.375%0.74880%0.799SS**  trans-89.3131.5-179.245.50000111.9
1098I35.4Very low33.8Very low158 Ų158154.2 Ų154.281%0.8180%0.798SS**  trans-139.791.2167.9-54179.5000106.1
1099L33.2Very low34.1Very low145 Ų145153.9 Ų153.976%0.75980%0.802SS**  64.996.277.2-67.8177.4000115
1100R38.6Very low33.7Very low240 Ų240148.6 Ų148.691%0.90679%0.789SS**  trans177.9108.2139.1-89.8143.3-165.1-164.93.7105.5
1101R31.3Very low33.7Very low239 Ų239150.4 Ų150.490%0.90279%0.793SS**  59.8117.463.1-170.9-179.2-76.6-164.8-3.2111.6
1102G34.6Very low33.5Very low77 Ų77147.2 Ų147.279%0.79478%0.778SS**  trans173.453.2-17600000110.9
1103E32.9Very low33.4Very low172 Ų172150.4 Ų150.480%0.80478%0.782SS**  trans-79.4133.2163.8-65.8154.1106.500107.9
1104D37.9Very low33.6Very low164 Ų164151.9 Ų151.988%0.87779%0.792SS**  trans-157.4105.4160.1-106-40.8000109
1105T30.3Very low33.5Very low137 Ų137147.4 Ų147.484%0.8479%0.786SS**  trans-87.4134.417748.60000110.9
1106R36.5Very low33.7Very low246 Ų246145.5 Ų145.593%0.92879%0.787SS**  trans-135.8137.7161.4-69.1-167.3176.2-156.3-3.2110.8
1107S28.7Very low33.5Very low93 Ų93146.3 Ų146.365%0.6579%0.793SS**  trans-102.5171.6178.555.90000111.1
1108D29.6Very low33.7Very low143 Ų143145 Ų14577%0.76580%0.796SS**  trans67.8146.8164.5-42.7-52000114.5
1109V39.7Very low33.4Very low128 Ų128140.9 Ų140.978%0.77679%0.793SS**  cis-13414629.9169.70000111.8E1111V1109-E1111 HydrophobicContact CG1-CG 4.3Å
1110S30.7Very low33.4Very low85 Ų85145.5 Ų145.559%0.59480%0.8SS**  trans-98.8128.7163.550.40000110.7
1111E39.2Very low32.9Very low172 Ų172141.1 Ų141.180%0.80479%0.794SS**  trans-139.8161.6160.4-80-162.9164.100109.5V1109V1109-E1111 HydrophobicContact CG1-CG 4.3Å
1112D32.5Very low33.2Very low100 Ų100137.7 Ų137.754%0.53579%0.791SS.*  trans-117.9174.8-131.2-158.84.1000115.6S654S654-D1112 WeakPolarHBondContact CB-OD1 3.37Å; S654-D1112 VanDerWaalsContact CB-OD2 3.28Å; S654-D1112 WeakPolarHBondContact CB-OD2 3.04Å; S654-D1112 PolarHBondContact OG-OD1 2.97Å; S654-D1112 PolarHBondContact OG-OD2 2.79Å
1113E30.5Very low32.8Very low169 Ų169139.9 Ų139.979%0.7979%0.792SS**  trans-55152.9-178.2-64.5-159.7112.600114.7
1114S36.7Very low33Very low128 Ų128142.4 Ų142.490%0.89579%0.794SS**  trans-143.293.7158.7-80.40000109.9
1115S30.3Very low32.8Very low105 Ų105143.1 Ų143.173%0.73479%0.792SS**  trans-68141.2-173.864.40000113.6
1116T36.1Very low32.8Very low140 Ų140141.8 Ų141.886%0.85979%0.789SS**  trans-153.3116156.3-73.80000110.5
1117S29.7Very low33Very low125 Ų125135.8 Ų135.887%0.87478%0.784SS**  trans-90.4110.9174.462.70000111.6
1118G33.2Very low33Very low80 Ų80142.4 Ų142.483%0.82580%0.795SS**  trans-115.3114.3172.900000111.7
1119G28.4Very low33.2Very low71 Ų71141.8 Ų141.873%0.73280%0.802SS**  trans-104.1-163.6-175.600000115.6
1120R33.8Very low32.7Very low241 Ų241147.5 Ų147.591%0.90981%0.81SS**  trans89.494.9176.6-51.8178.3-165.8164.36.5116.9
1121N28.7Very low32.7Very low148 Ų148149 Ų14979%0.79182%0.821SS**  9.8123.8127-50.6-13000117.3
1122M37.6Very low32.2Very low168 Ų168145.2 Ų145.283%0.82881%0.813SS**  trans-150.1123.4138.3-97.9-54.5105.500111.2
1123C26.8Very low32Very low122 Ų122145.5 Ų145.582%0.82482%0.822SS**  trans-89.8125.3171.6179.90000109.4
1124R35.6Very low32.1Very low226 Ų226147.1 Ų147.185%0.85382%0.823SS**  trans-125.388.8174.7-83.1-171170.1178.1-2.2112.6
1125Q34.2Very low31.7Very low178 Ų178147.3 Ų147.383%0.83282%0.819SS**  trans38.1121.8137.3-64.2-178.3-52.800119.4S1127Q1125-S1127 PolarHBondContact O-N 3.48Å
1126S30Very low31.9Very low109 Ų109148 Ų14876%0.76282%0.824SS**  trans-60.4126.3167.489.90000112
1127S40.2Very low31.5Very low120 Ų120146.7 Ų146.784%0.83982%0.82SS**  trans-91.2106.4163.939.10000110.1Q1125Q1125-S1127 PolarHBondContact O-N 3.48Å
1128R28.8Very low31.6Very low233 Ų233152.4 Ų152.488%0.87982%0.823SS**  trans-72.2131.7169.4-74.6173.8168155.4-6109.6
1129S33.9Very low31.4Very low130 Ų130152.9 Ų152.991%0.90981%0.813SS**  trans-150.7117.7157.9-920000110.8
1130R30.8Very low31.6Very low247 Ų247154.6 Ų154.693%0.93281%0.809SS**  trans-134.793.9168.7178.8-178.1170.1-176.7-5.5108.1
1131S30Very low31.4Very low118 Ų118149.4 Ų149.483%0.82580%0.8SS**  trans-144154.2168.4-1150000107.1
1132S28.2Very low31.8Very low91 Ų91153.4 Ų153.464%0.63680%0.804SS**  cis150.1134.1-10.5177.90000103
1133S29.2Very low31.6Very low106 Ų106153 Ų15374%0.74181%0.805SS**  trans55.416917875.10000114.7
1134Y31.2Very low31.9Very low204 Ų204152.9 Ų152.980%0.880%0.8SS**  cis-140.81652.136.3-90.9000110
1135T29.6Very low32.1Very low131 Ų131147.8 Ų147.880%0.80480%0.799SS**  trans-66.8143.9171.1430000111.5
1136S33.7Very low31.9Very low121 Ų121146.2 Ų146.285%0.84680%0.797SS**  trans-119.4124.1166.1-169.90000109.4
1137S27.8Very low32.3Very low112 Ų112152.3 Ų152.378%0.78380%0.803SS**  trans-90.1127.9-168.6-58.20000112.1
1138R32.8Very low32Very low245 Ų245157.5 Ų157.593%0.92580%0.804SS**  trans-144.891.4162.4-149.7172.1-170.9175.42.8108.4
1139S28.5Very low32.2Very low89 Ų89153.4 Ų153.462%0.62280%0.8SS**  90.9131.260-175.70000111.9
1140T32.2Very low32.4Very low107 Ų107156.1 Ų156.166%0.65680%0.795SS**  trans67.8111.915242.70000120.2
1141D30.6Very low32.4Very low133 Ų133152.4 Ų152.471%0.71179%0.788SS**  79.5101125.7-51.6-12.5000121.5
1142R35.5Very low32.9Very low232 Ų232158.4 Ų158.488%0.87579%0.793SS**  -171.715689.6-95.8159.7-168.1-168.41.5113.9
1143N33.2Very low33.1Very low160 Ų160159.6 Ų159.686%0.85680%0.796SS**  trans59.168.6166.1-65.1-9.7000118
1144V33.5Very low33.5Very low118 Ų118161.8 Ų161.872%0.71580%0.798SS**  trans-82.6123.1151.6168.80000109.5N1146V1144-N1146 HydrophobicContact CG1-CB 3.71Å; V1144-N1146 VanDerWaalsContact CG1-CG 3.42Å; V1144-N1146 WeakPolarHBondContact CG1-ND2 3.39Å
1145S39.3Very low33.6Very low119 Ų119158.8 Ų158.883%0.83279%0.791SS**  trans-110.660.1167.862.50000111.4R1147S1145-R1147 PolarHBondContact O-N 3.41Å
1146N31.1Very low34.1Very low146 Ų146160.4 Ų160.478%0.78180%0.795SS**  trans-72.9104.2178.5-87.5-11.1000112V1144V1144-N1146 HydrophobicContact CG1-CB 3.71Å; V1144-N1146 VanDerWaalsContact CG1-CG 3.42Å; V1144-N1146 WeakPolarHBondContact CG1-ND2 3.39Å
1147R37.8Very low34.2Very low236 Ų236162 Ų16289%0.89179%0.787SS**  trans-150.9141.5162.5-74.9-169.6-179-177.82109.5S1145S1145-R1147 PolarHBondContact O-N 3.41Å
1148R33.8Very low34.3Very low229 Ų229165.7 Ų165.786%0.86479%0.785SS**  cis-161.5154.6-20.2-161.2176.5-169.6176.23.5107.6
1149N32.6Very low34.3Very low147 Ų147161.9 Ų161.979%0.78678%0.775SS**  trans-54.7170.3178.1-46.19.2000114
1150K40Very low34.6Very low187 Ų187166 Ų16681%0.81378%0.784SS**  trans98.482.3163.4-56.4-166.6176.1-164.60116.8
1151E29.5Very low34.9Very low170 Ų170166 Ų16679%0.79479%0.788SS**  18.6109.297.2-174.1-177.2-161.600114.8V1153E1151-V1153 HydrophobicContact CG-CG2 4.38Å
1152R40.1Very low35.3Very low243 Ų243167.3 Ų167.392%0.91779%0.788SS**  trans-130.8111150.3-69.3-165.8-169.8-153.25.6107.9
1153V32.3Very low35.5Very low116 Ų116167.2 Ų167.270%0.70379%0.787SS**  trans-75.2176.8164.1-175.10000108.4E1151E1151-V1153 HydrophobicContact CG-CG2 4.38Å
1154I39.2Very low36.1Very low152 Ų152169.3 Ų169.378%0.77979%0.789SS**  trans94115.8168.3-53.4172.9000114.4
1155E32.6Very low36.5Very low142 Ų142169.5 Ų169.566%0.66479%0.792SS**  trans-60.5140.2166.3-56.3166.277.900111K1157E1155-K1157 WeakPolarHBondContact OE1-CE 3.48Å; E1155-K1157 IonicContact OE1-NZ 2.81Å
1156N40.4Very low36Very low164 Ų164169 Ų16988%0.87779%0.788SS**  trans-121.3121.3151.1-106.320000108.5
1157K34.8Very low36.2Very low156 Ų156168.3 Ų168.368%0.67879%0.789SS**  trans-85.1150.9-170.2-65.4-176.5178.2178.60112.6E1155E1155-K1157 WeakPolarHBondContact OE1-CE 3.48Å; E1155-K1157 IonicContact OE1-NZ 2.81Å
1158Y29.9Very low36.2Very low188 Ų188161.8 Ų161.874%0.73778%0.777SS**  trans66110.4142.6-93.7-136.6000120.2
1159K34.4Very low36.2Very low166 Ų166157.3 Ų157.372%0.72277%0.771SS**  trans68.9158.8151.1-49.1171178.2173.80113.6
1160H33.6Very low36Very low174 Ų174154.4 Ų154.481%0.80676%0.762SS**  cis-143.6140.55-19.7-118.2000109.2
1161S39.5Very low35.8Very low107 Ų107151.3 Ų151.375%0.74876%0.763SS**  trans-15681.2160.5-167.40000111.8R1163S1161-R1163 VanDerWaalsContact C-N 3.29Å; S1161-R1163 PolarHBondContact O-N 3.1Å
1162K37.8Very low36.1Very low162 Ų162147 Ų14770%0.70475%0.745SS**  trans-75.685.1163.5-86.5-164.9171.9-168.20108.6S319S319-K1162 PolarHBondContact OG-NZ 2.8Å
1163R41Very low35.9Very low229 Ų229140.1 Ų140.186%0.86474%0.735SS**  trans-133.988.7166.7-83.7-173.1157.5161.5-4.5110.4S1161S1161-R1163 VanDerWaalsContact C-N 3.29Å; S1161-R1163 PolarHBondContact O-N 3.1Å
1164K45.9Very low36Very low204 Ų204137 Ų13789%0.88771%0.714SS**  trans-92.5148.3154-87-161.7172.8-172.90109
1165P40.8Very low35.8Very low122 Ų122134.3 Ų134.379%0.79271%0.705SS**  trans-75.8160.1-174.231.7-36.6000113
1166C29.3Very low35.8Very low110 Ų110133.6 Ų133.674%0.74370%0.696SS**  trans-68.2-176.6163-48.50000109.9
1167T35.6Very low35.7Very low130 Ų130132.6 Ų132.680%0.79868%0.684SS**  cis-158.4-178.730.9-7.70000109.6
1168P37.5Very low35.6Very low100 Ų100135.3 Ų135.365%0.64969%0.692SS**  trans-79.9-179.1-16341.3-44.2000113.1
1169D33.1Very low35.8Very low135 Ų135129.5 Ų129.572%0.72269%0.688SS**  cis-149136.537.3-105.6-56.7000118
1170S28.9Very low35.9Very low85 Ų85130.5 Ų130.559%0.59470%0.696SS**  33.9113.6120.5-47.60000121.3
1171S36Very low36Very low122 Ų122127.6 Ų127.685%0.85369%0.69SS**  -144.4122.9114.863.20000108.9
1172L34.8Very low36Very low79 Ų79132 Ų13241%0.41470%0.696SS.*  trans-132.6135.1-169.2-74.6144.2000109.9C314C314-L1172 HydrophobicContact CB-CD2 3.87Å
1173S36.6Very low35.9Very low99 Ų99132.4 Ų132.469%0.69271%0.706SS**  trans-179.8141.2174.758.20000113.9D312D312-S1173 WeakPolarHBondContact OD1-CA 3.31Å; D312-S1173 PolarHBondContact OD1-N 2.81Å
1174N34.8Very low35.8Very low52 Ų52132.5 Ų132.528%0.27871%0.706SS.*  cis-167.279.6-28.4-114.47.3000113.5D311 D312D311-N1174 VanDerWaalsContact C-C 3.42Å; D311-N1174 WeakPolarHBondContact CA-O 3.42Å; D311-N1174 HydrophobicContact CB-CB 4.11Å; D311-N1174 VanDerWaalsContact CB-CG 3.44Å; D311-N1174 VanDerWaalsContact CB-ND2 3.35Å; D311-N1174 WeakPolarHBondContact CB-ND2 3.28Å; D311-N1174 PolarHBondContact OD1-ND2 2.86Å; D312-N1174 WeakPolarHBondContact CB-OD1 2.86Å; D312-N1174 PolarHBondContact N-OD1 3.16Å; D312-N1174 PolarHBondContact OD1-N 3.5Å; D312-N1174 VanDerWaalsContact OD2-CA 3.3Å; D312-N1174 WeakPolarHBondContact OD2-CA 3.45Å; D312-N1174 PolarHBondContact OD2-N 3.42Å
1175T35.2Very low35.2Very low95 Ų95129.4 Ų129.458%0.58370%0.699SS**  trans-171.8166.1155.815.40000116.4D311 D312D311-T1175 VanDerWaalsContact C-CA 3.44Å; D312-T1175 VanDerWaalsContact N-N 3.12Å; D312-T1175 PolarHBondContact OD2-N 3.14Å
1176R32.7Very low35Very low127 Ų127130.4 Ų130.448%0.47969%0.694SS.*  -166.9129.8-68.1-170.6161.4-106176.3-6.6112.3S310 D311S310-R1176 VanDerWaalsContact C-NH1 3.35Å; S310-R1176 VanDerWaalsContact O-CD 3.23Å; S310-R1176 WeakPolarHBondContact O-CD 3.46Å; S310-R1176 PolarHBondContact O-NH1 2.7Å; D311-R1176 VanDerWaalsContact CB-NH2 3.32Å; D311-R1176 VanDerWaalsContact N-CD 3.35Å; D311-R1176 VanDerWaalsContact N-NE 3.1Å; D311-R1176 VanDerWaalsContact N-NH1 3.19Å; D311-R1176 WeakPolarHBondContact O-CB 3.22Å; D311-R1176 WeakPolarHBondContact O-CD 3.48Å; D311-R1176 VanDerWaalsContact O-CG 3.3Å; D311-R1176 WeakPolarHBondContact O-CG 3.4Å; D311-R1176 PolarHBondContact O-NE 3.42Å; D311-R1176 IonicContact OD2-CZ 3.09Å; D311-R1176 IonicContact OD2-NH1 2.71Å; D311-R1176 PolarHBondContact OD2-NH1 2.65Å; D311-R1176 IonicContact OD2-NH2 2.81Å; D311-R1176 PolarHBondContact OD2-NH2 3.17Å
1177K37.5Very low35.1Very low143 Ų143132.5 Ų132.562%0.62269%0.692SS**  trans62.7136.4151.3-75175.5-172.6177.90124.4
1178Y33.1Very low35Very low213 Ų213132.4 Ų132.484%0.83569%0.687SS**  trans70.6149.1139.3-68.1-159.2000118.6
1179G33.1Very low35.1Very low65 Ų65134.5 Ų134.567%0.6769%0.691SS**  cis158.2161.9-8.200000113.2
1180Q37.9Very low35.1Very low188 Ų188136.5 Ų136.588%0.87970%0.696SS**  trans64.1156172-71-168.21.300117.3
1181T35.6Very low35.3Very low112 Ų112139.1 Ų139.169%0.68770%0.699SS**  cis176.1153.9-42.933.90000107.2
1182K39.9Very low35.3Very low199 Ų199140.1 Ų140.187%0.86569%0.688SS**  trans76.7132.8164.4-56.9-148.9176.1-170.70118.8
1183N34.8Very low35.4Very low172 Ų172143.8 Ų143.892%0.9270%0.702SS**  trans-61.5139.9164.6-54.5-7.4000110.4
1184R38.2Very low35.2Very low231 Ų231147 Ų14787%0.87270%0.704SS**  trans-141.4132.2150.4-162.3173.2-176.8157.52.2107.9
1185N33.8Very low35.2Very low138 Ų138150.7 Ų150.774%0.73872%0.724SS**  trans-77.5-175173.4-166.219.5000110
1186E36.7Very low35.1Very low144 Ų144152 Ų15267%0.67374%0.737SS**  trans90.895.7165.6-59.7162.1-155.800117.2
1187H32Very low35.2Very low154 Ų154152.9 Ų152.971%0.71375%0.751SS**  70.2127118.8-81.4-70.4000123.7
1188N32.8Very low35Very low127 Ų127156.9 Ų156.968%0.67976%0.762SS**  trans83.8152.3133.4-65.5-6.7000120.9
1189I40.1Very low35.2Very low145 Ų145155.7 Ų155.774%0.74476%0.762SS**  trans64.591.9171.9-54.3123.5000112.4
1190E32.6Very low35.3Very low176 Ų176164 Ų16482%0.82277%0.773SS**  71.6153.371.9-66.8-164.4118.300115.3
1191E32.5Very low35.2Very low140 Ų140159.7 Ų159.765%0.65477%0.769SS**  trans69.1110.8167.3-60.9-133.3119.600120.3
1192K36.6Very low35.3Very low144 Ų144161.8 Ų161.863%0.62678%0.776SS**  trans61.8118.6138.3-51.6161.6-177.5151.70116.6
1193H37.4Very low35.2Very low155 Ų155160.3 Ų160.372%0.71878%0.776SS**  -171.7143.970-95.9-88.3000113.3
1194F31Very low35.3Very low166 Ų166157.7 Ų157.773%0.72877%0.769SS**  trans64.5112.3143.9-83.4-125.1000122.3
1195N34.8Very low35.5Very low131 Ų131152.4 Ų152.470%0.70176%0.764SS**  54.296.7126.3-60.1-11.3000120.2
1196S33.8Very low35.6Very low122 Ų122151.9 Ų151.985%0.85377%0.769SS**  trans-120.8107.1150.9-172.30000111.1R1198S1196-R1198 PolarHBondContact O-N 3.04Å
1197N34.5Very low35.4Very low146 Ų146149.5 Ų149.578%0.78176%0.764SS**  trans-80.999.9-176.8-83.8-62.7000112.1
1198R34.6Very low35.4Very low226 Ų226147 Ų14785%0.85376%0.764SS**  trans-159.3138.9155.7-123.6167.1-83.2-165.3-3.4114.6S1196S1196-R1198 PolarHBondContact O-N 3.04Å
1199K36.6Very low35.7Very low189 Ų189148 Ų14882%0.82278%0.775SS**  trans64.767163.6-57.6-177.9-177.4175.80118.2A1201K1199-A1201 PolarHBondContact O-N 3.2Å
1200R34.4Very low35.3Very low238 Ų238150.9 Ų150.990%0.89878%0.782SS**  46.864.3117-160.2-170.9-155.4178.18.4116.2
1201A36.6Very low35.8Very low98 Ų98147.3 Ų147.381%0.8177%0.774SS**  trans-58.9150158.500000110.3K1199K1199-A1201 PolarHBondContact O-N 3.2Å
1202L37.7Very low36Very low157 Ų157147.8 Ų147.882%0.82278%0.776SS**  trans-92.6119.8-179.7-67.1167.2000110.1
1203L38.7Very low36.2Very low168 Ų168145.9 Ų145.988%0.8878%0.777SS**  trans-126.9125.9155.8-77.9176.6000108.7
1204P36.4Very low36.3Very low116 Ų116145.6 Ų145.675%0.75377%0.773SS**  trans-71148.8-177.7-19.332.7000113.4
1205P42.9Very low36.8Very low121 Ų121144.1 Ų144.179%0.78677%0.772SS**  trans-68157.9164.930.6-34.2000111.6
1206P35.5Very low37Very low127 Ų127149.4 Ų149.483%0.82578%0.782SS**  trans-84.6178.6-160.334.4-38.7000115.6
1207T32.8Very low37.2Very low94 Ų94155 Ų15558%0.57779%0.785SS**  trans-80.4165.1-177.253.30000114.1P758P758-T1207 HydrophobicContact CB-CG2 3.62Å
1208S32Very low37.5Very low102 Ų102153.3 Ų153.371%0.71378%0.784SS**  trans62.2108.6163.363.80000119.3
1209T37.8Very low37.4Very low148 Ų148153.1 Ų153.191%0.90878%0.783SS**  -162.8134.6105.814.20000110.8
1210K32.7Very low37.4Very low204 Ų204153.2 Ų153.289%0.88778%0.784SS**  trans-96.2170170.5-76.4179.6179.7176.30108.7
1211P42.7Very low37.3Very low102 Ų102144.4 Ų144.466%0.66277%0.767SS**  cis-132.1159.3-32.434-18.1000113.3
1212E35.5Very low37Very low150 Ų150149.7 Ų149.770%0.70177%0.767SS**  trans-109.279.6155.7-86.6-155.3130.400110.5K1214E1212-K1214 VanDerWaalsContact C-N 3.28Å; E1212-K1214 PolarHBondContact O-N 2.85Å; E1212-K1214 WeakPolarHBondContact OE1-CE 3.45Å; E1212-K1214 IonicContact OE1-NZ 2.85Å; E1212-K1214 PolarHBondContact OE1-NZ 3.27Å; E1212-K1214 WeakPolarHBondContact OE2-CE 3.3Å; E1212-K1214 IonicContact OE2-NZ 2.99Å; E1212-K1214 PolarHBondContact OE2-NZ 3.33Å
1213T41.5Very low37Very low104 Ų104148 Ų14864%0.63876%0.763SS**  trans-78.680.3172.1-290000109.5I1215T1213-I1215 HydrophobicContact CG2-CD1 3.89Å; T1213-I1215 HydrophobicContact CG2-CG1 4.03Å; T1213-I1215 PolarHBondContact O-N 3.28Å
1214K40.6Very low36.7Very low148 Ų148146.4 Ų146.464%0.64376%0.755SS**  trans-71.961.1176.4-79.1171.5172.21500112.2E1212E1212-K1214 VanDerWaalsContact C-N 3.28Å; E1212-K1214 PolarHBondContact O-N 2.85Å; E1212-K1214 WeakPolarHBondContact OE1-CE 3.45Å; E1212-K1214 IonicContact OE1-NZ 2.85Å; E1212-K1214 PolarHBondContact OE1-NZ 3.27Å; E1212-K1214 WeakPolarHBondContact OE2-CE 3.3Å; E1212-K1214 IonicContact OE2-NZ 2.99Å; E1212-K1214 PolarHBondContact OE2-NZ 3.33Å
1215I41.7Very low36.5Very low135 Ų135147.8 Ų147.869%0.69275%0.752SS**  trans-75.9127.3166.3-67.2171.6000107.9T1213 R1217T1213-I1215 HydrophobicContact CG2-CD1 3.89Å; T1213-I1215 HydrophobicContact CG2-CG1 4.03Å; T1213-I1215 PolarHBondContact O-N 3.28Å; I1215-R1217 PolarHBondContact O-N 3.48Å
1216W37.1Very low35.9Very low242 Ų242148.3 Ų148.392%0.91775%0.752SS**  trans-70.6100.4179-70.370.9000109.3S1218W1216-S1218 PolarHBondContact O-N 3.14Å
1217R39Very low36.1Very low241 Ų241146.9 Ų146.991%0.90974%0.743SS**  trans-66.794.2169.6-72.9-170.3-178.4-121.35.7109.5I1215 R1219I1215-R1217 PolarHBondContact O-N 3.48Å; R1217-R1219 PolarHBondContact O-N 3.03Å; R1217-R1219 VanDerWaalsContact O-N 3.14Å
1218S40.4Very low35.9Very low110 Ų110147.6 Ų147.677%0.76976%0.759SS**  trans-62.3109.6157.347.80000108.8W1216 K1220W1216-S1218 PolarHBondContact O-N 3.14Å; S1218-K1220 PolarHBondContact O-N 2.95Å
1219R33.8Very low35.9Very low222 Ų222147.4 Ų147.484%0.83876%0.757SS**  trans10.7107.4143.1176.8-173.1-74.9-137.1-6.2113.1R1217R1217-R1219 PolarHBondContact O-N 3.03Å; R1217-R1219 VanDerWaalsContact O-N 3.14Å
1220K35Very low35.6Very low191 Ų191145.2 Ų145.283%0.8375%0.748SS**  cis54.7108.729.5-163.272.6175.5-179.50113S1218S1218-K1220 PolarHBondContact O-N 2.95Å
1221G32.5Very low35.6Very low52 Ų52142.2 Ų142.254%0.53674%0.741SS.*  trans94.5129.1-177.600000111.8
1222Y31.7Very low34.9Very low209 Ų209148.8 Ų148.882%0.8275%0.753SS**  cis-139.11403.9-98.7-102.6000110.9N1224Y1222-N1224 WeakPolarHBondContact CD1-OD1 3.45Å
1223V35.8Very low34.6Very low121 Ų121150.1 Ų150.173%0.73376%0.759SS**  trans-77.2124144.8172.70000105.4E1225V1223-E1225 HydrophobicContact CG1-CG 4.34Å
1224N34.3Very low34.2Very low135 Ų135149.8 Ų149.872%0.72276%0.758SS**  trans-121.9113.3158.6-9326.8000106.2Y1222Y1222-N1224 WeakPolarHBondContact CD1-OD1 3.45Å
1225E32.2Very low33.6Very low146 Ų146151.5 Ų151.568%0.68277%0.768SS**  trans-69.1-155.5159.4-59.3148.4-13400109.6V1223V1223-E1225 HydrophobicContact CG1-CG 4.34Å
1226V29.5Very low33.2Very low131 Ų131153 Ų15379%0.79478%0.777SS**  trans81.5118.5173.2-170.20000112
1227P38.8Very low33Very low97 Ų97146.4 Ų146.463%0.6377%0.765SS**  -136.5-178.5-103.538-21.1000114.4S1229P1227-S1229 VanDerWaalsContact C-N 3.25Å; P1227-S1229 PolarHBondContact O-N 3.11Å
1228A30.1Very low32.7Very low110 Ų110142.3 Ų142.391%0.90976%0.761SS**  trans-65.576.3170.200000112.6S1230A1228-S1230 PolarHBondContact O-N 3.16Å
1229S30.3Very low32Very low97 Ų97140.4 Ų140.468%0.67875%0.748SS**  trans-91.574.8179.5-72.20000113.9P1227P1227-S1229 VanDerWaalsContact C-N 3.25Å; P1227-S1229 PolarHBondContact O-N 3.11Å
1230S31.7Very low32.1Very low103 Ų103137.3 Ų137.372%0.7274%0.743SS**  81.5168.2126.7-147.70000121.2A1228A1228-S1230 PolarHBondContact O-N 3.16Å
1231L32.7Very low31.7Very low141 Ų141136.3 Ų136.374%0.73874%0.741SS**  trans47.688.4170.7-96.964.7000119H1233L1231-H1233 PolarHBondContact O-N 3.27Å
1232R29.4Very low31.5Very low240 Ų240139.2 Ų139.291%0.90675%0.753SS**  -15.5123.9120.8-51.1168.3-176.8173.5-0.2112.9
1233H27.8Very low31.9Very low178 Ų178136 Ų13682%0.82476%0.755SS**  trans-156.3151.8143.8-121.8-93000110.7L1231L1231-H1233 PolarHBondContact O-N 3.27Å
1234P34.4Very low31.8Very low97 Ų97136.1 Ų136.163%0.6375%0.751SS**  trans-115.4-175.1-164.241.9-30.8000114.4
1235Q28Very low31.7Very low183 Ų183138 Ų13886%0.85575%0.753SS**  trans79.2144167.3-61.4178.6-8.500117.3
1236L32.9Very low31.8Very low168 Ų168140 Ų14088%0.8876%0.759SS**  trans-85.6128.3176.1-83.1170.5000110.4
1237P33.3Very low31.9Very low102 Ų102139.7 Ų139.766%0.66276%0.757SS**  trans-54.6140.6143.6-20.134.4000109.1
1238N32.1Very low31.5Very low155 Ų155144.4 Ų144.483%0.82977%0.768SS**  48.4139.873-82.8-10.2000114.4
1239S26.6Very low31.3Very low71 Ų71147.5 Ų147.550%0.49776%0.764SS.*  cis-171.6179.8-19.1-165.20000108.4
1240H34.2Very low31Very low156 Ų156145.9 Ų145.972%0.72276%0.762SS**  trans59113157.4-58.2-47.2000117.2
1241H28.6Very low31.2Very low171 Ų171149.3 Ų149.379%0.79277%0.767SS**  66.7122.583.9-72.68.3000115.1
1242S26.8Very low31Very low113 Ų113149.3 Ų149.379%0.7977%0.773SS**  trans51.393.1155.658.40000119.4
1243V40.7Very low31.3Very low142 Ų142144 Ų14486%0.86177%0.767SS**  -135.5125.7120.1-92.70000111.7
1244N33.1Very low31.5Very low123 Ų123139.9 Ų139.966%0.65876%0.758SS**  trans30.4108.7162.5-73.5-55000122.5
1245K33.3Very low31.3Very low174 Ų174144.8 Ų144.876%0.75777%0.77SS**  57.6126113.2-65.7172.9-169.9142.80121.1
1246K34.4Very low31.3Very low188 Ų188142.8 Ų142.882%0.81777%0.77SS**  trans66.8107.6137.8-67.9-174.4177-173.90117.2
1247V31.4Very low31.1Very low124 Ų124140.1 Ų140.175%0.75277%0.766SS**  84.5101.374.1164.20000112.7
1248F29.2Very low31.1Very low196 Ų196145.9 Ų145.986%0.8677%0.774SS**  trans68.6145.2148.7-84.3-109.4000122.2
1249H26.1Very low31Very low175 Ų175149.9 Ų149.981%0.8178%0.778SS**  trans98.986.7140.6-143.392.7000121.9
1250G25.1Very low31.2Very low63 Ų63150.9 Ų150.965%0.64979%0.785SS**  95.2174.3120.600000120
1251Q34.8Very low31Very low175 Ų175148.7 Ų148.782%0.81879%0.787SS**  trans63.3116.1175.2-48.4-17018.400115.4
1252V28.9Very low31.1Very low142 Ų142144.5 Ų144.586%0.86178%0.782SS**  cis80.368.716.5-160.10000116.3
1253T35.6Very low31.3Very low129 Ų129147.3 Ų147.379%0.79179%0.785SS**  trans-160.9156.6159.243.10000108.9
1254S31.1Very low31Very low91 Ų91149.1 Ų149.164%0.63678%0.781SS**  cis-167.5153.5-15.9-105.60000111.1
1255K31.8Very low30.9Very low199 Ų199148.5 Ų148.587%0.86578%0.778SS**  trans62.8121.9151.4-66.1166.5-178171.50120.7
1256T28.2Very low30.8Very low142 Ų142147.7 Ų147.787%0.87178%0.777SS**  trans-79.2159.2157.843.70000112.3
1257S28.2Very low30.7Very low112 Ų112147.4 Ų147.478%0.78377%0.77SS**  trans-162.4154.7164.3-1530000115.2
1258R34Very low30.6Very low223 Ų223150.3 Ų150.384%0.84278%0.776SS**  trans79.4115162.5-56.9-174.9175.5-170.1-2.5120.8
1259R29.4Very low30.9Very low238 Ų238147 Ų14790%0.89876%0.763SS**  trans66.7152139.8-71.7-177.1171.7178.8-5119.2
1260S31Very low31.3Very low92 Ų92143.1 Ų143.164%0.64376%0.756SS**  cis-173.9148.5-23.848.90000111
1261S29.4Very low31.6Very low111 Ų111146 Ų14678%0.77677%0.766SS**  trans33143.5142.768.60000121.7
1262A30.8Very low31.4Very low83 Ų83148.6 Ų148.669%0.68677%0.769SS**  cis-168.4166.721.100000113.1
1263M31.8Very low31.4Very low171 Ų171147.8 Ų147.884%0.84277%0.769SS**  trans65.2145150.8-67.7-75.3130.800117.5
1264K32.8Very low31.2Very low180 Ų180147.5 Ų147.578%0.78377%0.767SS**  cis-153.31575.7-170.1172.4173.9-177.80110.5
1265N32.3Very low31.4Very low111 Ų111152 Ų15259%0.59478%0.78SS**  trans-33.6166.6169.9-24.9-14.4000116.4
1266Q30.8Very low31.5Very low157 Ų157146.9 Ų146.973%0.73478%0.776SS**  cis-164.6-178.110.1-135.7157.7-59.500106.8
1267R31.8Very low31.6Very low181 Ų181149.5 Ų149.568%0.68378%0.778SS**  cis-158.5132.77.7171.8-169.1179.6-153.40.7108.6E1269R1267-E1269 HydrophobicContact CG-CG 4.46Å; R1267-E1269 IonicContact CZ-OE2 2.75Å; R1267-E1269 IonicContact NE-OE1 2.88Å; R1267-E1269 IonicContact NE-OE2 2.65Å; R1267-E1269 PolarHBondContact NE-OE2 3.2Å; R1267-E1269 IonicContact NH2-OE2 2.7Å; R1267-E1269 PolarHBondContact NH2-OE2 2.79Å
1268E29.7Very low31.8Very low186 Ų186152.2 Ų152.287%0.86978%0.778SS**  trans-136130.9154-77.9-170.917000108.9
1269E35.9Very low31.6Very low125 Ų125152.7 Ų152.758%0.58478%0.78SS**  trans-122.384.8176.5-76.6157.9-178.200106.1R1267R1267-E1269 HydrophobicContact CG-CG 4.46Å; R1267-E1269 IonicContact CZ-OE2 2.75Å; R1267-E1269 IonicContact NE-OE1 2.88Å; R1267-E1269 IonicContact NE-OE2 2.65Å; R1267-E1269 PolarHBondContact NE-OE2 3.2Å; R1267-E1269 IonicContact NH2-OE2 2.7Å; R1267-E1269 PolarHBondContact NH2-OE2 2.79Å
1270S33.7Very low31.9Very low95 Ų95149.8 Ų149.866%0.66478%0.776SS**  71.677.996.2-65.30000113.3
1271S32.3Very low32.1Very low124 Ų124151.1 Ų151.187%0.86778%0.78SS**  trans-58.7133.2167-51.70000111.1
1272W29.5Very low32.3Very low229 Ų229157.1 Ų157.187%0.86779%0.786SS**  trans-94.3120.1173.3-68.511.7000110.1T1274W1272-T1274 PolarHBondContact O-N 3.26Å
1273S30.1Very low32.3Very low125 Ų125159.4 Ų159.487%0.87479%0.787SS**  trans-92.384.6166.4-63.10000109.7M1275S1273-M1275 PolarHBondContact O-N 3.05Å; S1273-M1275 VanDerWaalsContact O-N 3.14Å
1274T31.2Very low32.4Very low123 Ų123158.5 Ų158.576%0.75579%0.785SS**  trans-80.288.8175.6-47.40000109.9W1272W1272-T1274 PolarHBondContact O-N 3.26Å
1275M35.5Very low32.3Very low184 Ų184158.4 Ų158.491%0.90679%0.787SS**  trans-80.2150173.6-165.8165.8176.100110.9S1273S1273-M1275 PolarHBondContact O-N 3.05Å; S1273-M1275 VanDerWaalsContact O-N 3.14Å
1276A32.2Very low32.3Very low93 Ų93164.9 Ų164.977%0.76981%0.805SS**  trans-66.3148.8-168.900000114.2E1278A1276-E1278 PolarHBondContact O-N 3.41Å; A1276-E1278 VanDerWaalsContact O-N 3.15Å
1277H31.4Very low32.2Very low197 Ų197160.8 Ų160.891%0.91281%0.805SS**  trans-78.591173.3-113-57.5000110.7
1278E32.2Very low32Very low168 Ų168158.3 Ų158.379%0.78582%0.816SS**  trans-79.8147.5162.6-165.6156.9-144.600110.4A1276A1276-E1278 PolarHBondContact O-N 3.41Å; A1276-E1278 VanDerWaalsContact O-N 3.15Å
1279R30.8Very low32Very low234 Ų234153 Ų15388%0.88381%0.81SS**  trans-100.2106.1-167.5-60-179.5-172.4-179.12.6111
1280H35.7Very low31.7Very low177 Ų177151.9 Ų151.982%0.81982%0.817SS**  trans-91.7132162.4-72.5-60.1000111.1
1281T35.2Very low31.7Very low120 Ų120157.4 Ų157.474%0.73683%0.829SS**  trans-64.5146.3175.141.70000111
1282R33.2Very low31.8Very low236 Ų236161.3 Ų161.389%0.89183%0.83SS**  trans-93.5105163-91.8-172.3167.8127.2-3.7108.6
1283D31.3Very low31.7Very low132 Ų132156.5 Ų156.571%0.70683%0.832SS**  trans-88.4117.2159.5-62.3-68.4000108.2
1284D33.8Very low31.8Very low152 Ų152153.8 Ų153.881%0.81382%0.823SS**  trans-148.8129169.1-104.3-45.6000108.4
1285H30.8Very low31.9Very low177 Ų177154.1 Ų154.182%0.81983%0.826SS**  trans-93.7132.6-167.1-59.3-60.6000114.4
1286Y30.7Very low31.8Very low247 Ų247152.6 Ų152.697%0.96982%0.818SS**  trans-153.9144.5144.3-77.2-76.4000108.4
1287G28.8Very low31.7Very low72 Ų72154.9 Ų154.974%0.74281%0.813SS**  cis-169.7151.8-7.500000109.6
1288S27.5Very low31.7Very low129 Ų129153.9 Ų153.990%0.90281%0.812SS**  trans-81.8143.1-176.6-168.80000112.4
1289G29.4Very low31.6Very low73 Ų73151.3 Ų151.375%0.75380%0.804SS**  trans-149.797.7174.600000111.1
1290S31.3Very low31.7Very low103 Ų103148.9 Ų148.972%0.7281%0.805SS**  trans-106.6138.9-179.551.90000111.8
1291F33Very low31.6Very low211 Ų211147.6 Ų147.693%0.92581%0.81SS**  trans-133.4167.6171.3-84.7-76.1000111.6
1292K33.7Very low31.4Very low205 Ų205149.4 Ų149.489%0.89182%0.815SS**  trans-88.6161.1-152-70.3-179.9175.1179.40115.7
1293S28.7Very low31.3Very low128 Ų128143.6 Ų143.690%0.89581%0.81SS**  trans-68.1155.3176.9-40.40000115.4
1294G32.2Very low31.3Very low68 Ų68142.3 Ų142.370%0.70181%0.811SS**  trans168.8146.5152.200000109.3
1295T32.7Very low31.2Very low130 Ų130139.6 Ų139.680%0.79881%0.805SS**  cis-172.4122-9.1-80.70000104.7
1296M33.1Very low31.2Very low153 Ų153143.1 Ų143.175%0.75481%0.811SS**  trans37.1117.9155.9-55.1-57.8-73.100122.1
1297H30.4Very low31.4Very low141 Ų141136.3 Ų136.365%0.65380%0.797SS**  trans24.8124.9134.4-66.3-94.1000121.4D1299H1297-D1299 IonicContact CE1-OD2 2.64Å; H1297-D1299 IonicContact CG-OD2 3.87Å; H1297-D1299 IonicContact ND1-OD2 2.64Å; H1297-D1299 PolarHBondContact ND1-OD2 3.38Å
1298I32Very low31.5Very low175 Ų175144.4 Ų144.490%0.89781%0.805SS**  -131.7129.2129.7-59.9-178.8000107
1299D29.7Very low32.1Very low115 Ų115143.7 Ų143.762%0.61580%0.797SS**  trans-111.4170.8-179.7-74.9-77.5000111.5H1297H1297-D1299 IonicContact CE1-OD2 2.64Å; H1297-D1299 IonicContact CG-OD2 3.87Å; H1297-D1299 IonicContact ND1-OD2 2.64Å; H1297-D1299 PolarHBondContact ND1-OD2 3.38Å
1300M32.8Very low32.3Very low182 Ų182146.5 Ų146.590%0.89780%0.802SS**  trans71.9100.1164.4-44.7-172.785.700119.3
1301T33.7Very low32.1Very low151 Ų151152.8 Ų152.893%0.92681%0.81SS**  -148.3121.8126.149.40000109.8
1302D29.9Very low32.3Very low157 Ų157153 Ų15384%0.8481%0.811SS**  trans-107.2119170.9175.820.4000109.5
1303S32.6Very low32.1Very low114 Ų114146.6 Ų146.680%0.79780%0.803SS**  trans-172.6114.8166.1-86.80000114.4
1304S29.7Very low32.3Very low105 Ų105148.5 Ų148.573%0.73480%0.798SS**  trans57.8124.9136.2-155.20000123.5
1305S33.1Very low32Very low96 Ų96150.4 Ų150.467%0.67180%0.796SS**  trans63.995.9134.265.50000123.4
1306R30.2Very low31.9Very low250 Ų250150 Ų15094%0.94379%0.794SS**  68.6163.2123.2-83.4-168.8175.5-129-2119.8
1307P34.9Very low32Very low105 Ų105150.4 Ų150.468%0.68280%0.799SS**  trans-130.7153.9-132.842.4-29.4000118.5
1308R31.8Very low32.1Very low242 Ų242151.3 Ų151.391%0.91381%0.808SS**  170.3163.5118.3-95.4179.7171.6-175.9-1.8112.8
1309P38.8Very low32.2Very low114 Ų114153 Ų15374%0.7481%0.809SS**  trans-117.6169.5-165.942.3-33.1000115.9
1310P34.6Very low32.4Very low131 Ų131154.4 Ų154.485%0.85182%0.817SS**  trans-127.3172.8144.735.1-21.6000114.2
1311R27Very low32.6Very low235 Ų235150.4 Ų150.489%0.88780%0.803SS**  trans-90.9155.7-177-59.3167.916399.7-7.4112.6
1312F35.8Very low32.8Very low216 Ų216152 Ų15295%0.94780%0.799SS**  trans-178.1157.1134.6-108.7-74.9000110.5
1313G30.2Very low32.9Very low71 Ų71147.9 Ų147.973%0.73279%0.794SS**  trans126.395.1159.500000119.9
1314H32.6Very low33.1Very low167 Ų167149 Ų14977%0.77380%0.795SS**  trans-44.1166.9157.8-72-82.5000116.8
1315T26.5Very low33.1Very low108 Ų108154.2 Ų154.266%0.66380%0.799SS**  cis175.2142.1-32.426.30000107
1316T31.4Very low33.4Very low123 Ų123155.8 Ų155.876%0.75580%0.796SS**  trans56.9120.5151.756.60000123.3
1317N34Very low33.5Very low161 Ų161149.3 Ų149.386%0.86178%0.78SS**  trans-163.2115139.2-91.7-43.5000107.5
1318N32.3Very low33.6Very low159 Ų159155.9 Ų155.985%0.8579%0.793SS**  59.1107.474.5-88.56.7000116.3
1319K35.5Very low33.6Very low212 Ų212150 Ų15092%0.92278%0.784SS**  trans-160.9142.3155.6-156.6162.1-171.2170.60110.8
1320D33.9Very low33.1Very low143 Ų143149.5 Ų149.577%0.76578%0.783SS**  trans-152.2170.5-166.7-141.6-30.6000113.3
1321T35.4Very low33.2Very low98 Ų98155.2 Ų155.260%0.60179%0.788SS**  trans63.4150.2162.658.30000123.5
1322H38.9Very low33.5Very low186 Ų186151.4 Ų151.486%0.86179%0.785SS**  trans75.2136.4169.8-38.7-75.3000118.3
1323G32.6Very low33.4Very low70 Ų70152.1 Ų152.172%0.72278%0.783SS**  cis164.9162.7-1400000115.8
1324V35.4Very low33.7Very low137 Ų137154.4 Ų154.483%0.8379%0.785SS**  trans80.2108143.8179.20000121.9
1325R31.7Very low33.7Very low215 Ų215152.1 Ų152.181%0.81178%0.783SS**  trans75124.9136.8-81.2-175.4163.1-165.3-0.3125.4
1326Q39Very low34.3Very low128 Ų128156.9 Ų156.960%0.59879%0.794SS**  103117.8120.1-82.3-164.937.900124.3
1327N31.3Very low34.3Very low114 Ų114159.1 Ų159.161%0.6180%0.796SS**  55.5114.9124.2-59.3-11.3000122.2
1328Y38.2Very low34.3Very low243 Ų243159.4 Ų159.495%0.95380%0.796SS**  trans-139.3153130.2-89.6-73000110.9
1329T30.1Very low34.4Very low119 Ų119159.8 Ų159.873%0.7379%0.793SS**  trans-119.8128.5-167.353.90000114
1330S29.7Very low34.5Very low104 Ų104157.1 Ų157.173%0.72779%0.787SS**  trans43125.8144.657.10000121.7
1331R36Very low34.5Very low250 Ų250159.5 Ų159.594%0.94379%0.79SS**  trans-156.9133.7133.3-107.2161.9-156.4-156.84.4110.9
1332N34.3Very low34.6Very low155 Ų155160.3 Ų160.383%0.82980%0.795SS**  trans-101.6154-177-69.1-43.8000111.8
1333Y33.1Very low34.3Very low231 Ų231158 Ų15891%0.90679%0.789SS**  trans-118.5134.9160.1-91.1-85.3000110.2
1334P36.2Very low34.5Very low120 Ų120159.9 Ų159.978%0.77979%0.786SS**  trans-95.5152.3-169.935.9-35.8000115.1
1335V32.5Very low34.6Very low119 Ų119161 Ų16172%0.72178%0.783SS**  trans-68.4145.8174174.70000112
1336K38.5Very low34.8Very low208 Ų208157.8 Ų157.890%0.90478%0.781SS**  trans-118.2109.1159.9-72.4-176.3178.9177.90110.1
1337H32.6Very low34.7Very low170 Ų170156.3 Ų156.379%0.78779%0.785SS**  trans-76.7143.7162-83.3-89.2000110
1338L32.7Very low34.8Very low167 Ų167160.3 Ų160.387%0.87480%0.797SS**  trans-125.1142161-170.363.2000108.6I1340L1338-I1340 PolarHBondContact O-N 2.94Å
1339H35.5Very low34.9Very low166 Ų166155.7 Ų155.777%0.76979%0.788SS**  trans-82.8113-167.9-62.7-93.6000112.3
1340I36.5Very low35.1Very low156 Ų156158 Ų15880%0.879%0.79SS**  trans-83.6114.4155.6-61.4175.9000106.9L1338 T1342L1338-I1340 PolarHBondContact O-N 2.94Å; I1340-T1342 HydrophobicContact CG2-CG2 4.47Å
1341K34.7Very low35.2Very low193 Ų193164.6 Ų164.684%0.83980%0.8SS**  trans-86.3106.5168.2-74.3-174.5175.4-175.80108.7D1343K1341-D1343 PolarHBondContact O-N 2.78Å
1342T36.5Very low35.2Very low115 Ų115157.3 Ų157.371%0.70679%0.787SS**  trans-75.295.8166.249.20000108.7I1340 V1344I1340-T1342 HydrophobicContact CG2-CG2 4.47Å; T1342-V1344 VanDerWaalsContact C-N 3.33Å; T1342-V1344 PolarHBondContact O-N 3.36Å
1343D33.8Very low35Very low138 Ų138160.1 Ų160.174%0.73879%0.792SS**  trans-80.683.8175.7-149.3-6.6000109.1K1341 H1345K1341-D1343 PolarHBondContact O-N 2.78Å; D1343-H1345 PolarHBondContact O-N 3.39Å
1344V35.4Very low35Very low109 Ų109154.6 Ų154.666%0.66179%0.786SS**  trans-79.885.9-177.6-176.30000108.9T1342 D1346T1342-V1344 VanDerWaalsContact C-N 3.33Å; T1342-V1344 PolarHBondContact O-N 3.36Å; V1344-D1346 PolarHBondContact O-N 3.24Å
1345H38.7Very low34.8Very low162 Ų162152.6 Ų152.675%0.7579%0.788SS**  trans-76.5102168.5-99.2-65.7000110.2D1343 S1347D1343-H1345 PolarHBondContact O-N 3.39Å; H1345-S1347 PolarHBondContact O-N 2.71Å
1346D35.2Very low34.8Very low146 Ų146154.4 Ų154.478%0.78179%0.794SS**  trans-58.498.3170.2-81-40.5000111V1344 K1348V1344-D1346 PolarHBondContact O-N 3.24Å; D1346-K1348 PolarHBondContact O-N 3.32Å
1347S36.8Very low34.6Very low98 Ų98149.6 Ų149.669%0.68578%0.782SS**  trans-70.894.917257.70000109.5H1345 L1349H1345-S1347 PolarHBondContact O-N 2.71Å; S1347-L1349 PolarHBondContact O-N 3.03Å
1348K34.5Very low34.6Very low198 Ų198151.8 Ų151.886%0.86178%0.783SS**  trans-52.1107.4170.7-86-172.8173-177.90110D1346 H1350D1346-K1348 PolarHBondContact O-N 3.32Å; K1348-H1350 PolarHBondContact O-N 2.73Å; K1348-H1350 VanDerWaalsContact O-N 3.09Å
1349L38.8Very low34.7Very low146 Ų146149.6 Ų149.676%0.76477%0.772SS**  trans-69.6104-179.7-67.9171.2000110.1S1347 W1351S1347-L1349 PolarHBondContact O-N 3.03Å; L1349-W1351 PolarHBondContact O-N 2.7Å
1350H34.6Very low35Very low167 Ų167150.8 Ų150.877%0.77378%0.776SS**  trans-69.5116.7168.5-104-102.8000110.1K1348 S1352K1348-H1350 PolarHBondContact O-N 2.73Å; K1348-H1350 VanDerWaalsContact O-N 3.09Å; H1350-S1352 PolarHBondContact O-N 2.65Å
1351W32.2Very low34.8Very low243 Ų243154.8 Ų154.892%0.9278%0.781SS**  trans-77.574.4169-68.2-2.3000110.3L1349 K1353L1349-W1351 PolarHBondContact O-N 2.7Å; W1351-K1353 PolarHBondContact O-N 2.86Å
1352S36.8Very low34.6Very low96 Ų96150.8 Ų150.867%0.67178%0.775SS**  trans-66.8103.2176.8-67.10000111.2H1350 S1354H1350-S1352 PolarHBondContact O-N 2.65Å; S1352-S1354 PolarHBondContact O-N 2.97Å
1353K29.5Very low34.6Very low215 Ų215150.8 Ų150.894%0.93578%0.777SS**  trans-7878.4-179.9-174.1-173.5174.9-177.50111.8W1351W1351-K1353 PolarHBondContact O-N 2.86Å
1354S32.7Very low34.5Very low114 Ų114150.2 Ų150.280%0.79778%0.778SS**  trans-147.7148.5158.565.40000109S1352S1352-S1354 PolarHBondContact O-N 2.97Å
1355G32.2Very low34.2Very low79 Ų79150.5 Ų150.581%0.81478%0.78SS**  trans-128156.4-171.900000113
1356N32.9Very low33.8Very low157 Ų157148.4 Ų148.484%0.8478%0.783SS**  trans-144148.8133.5-161.6-1000108.8
1357T34Very low33.4Very low107 Ų107146.2 Ų146.266%0.65678%0.779SS**  trans-81.6138.6172.841.90000111.5
1358R31.9Very low33.1Very low215 Ų215146.8 Ų146.881%0.81178%0.783SS**  trans9.3138.1141.7-27.2175.6-168.8136.83.9115.6
1359N36.5Very low32.9Very low121 Ų121149.1 Ų149.165%0.64779%0.787SS**  cis-154.6176.641.7-53.7-84.7000108.8
1360F40.4Very low32.6Very low192 Ų192147.3 Ų147.384%0.84279%0.786SS**  cis-153152.721.6-89-76.2000112.6
1361R32.4Very low32.8Very low239 Ų239145.1 Ų145.190%0.90279%0.787SS**  trans64.5127.5145.9-149.6170.7-163.7160.74121.8
1362P31.9Very low32.9Very low110 Ų110141.7 Ų141.771%0.71479%0.785SS**  trans-107.4-167.7166.543.4-35.5000111.8
1363P36.3Very low32.8Very low115 Ų115139.9 Ų139.975%0.74778%0.782SS**  cis-125.9-168.1-35.828-6.6000112.1
1364V31.7Very low33.1Very low125 Ų125139.6 Ų139.676%0.75878%0.78SS**  153.6110.2129.1166.70000113.6
1365T28.2Very low33.3Very low116 Ų116141 Ų14171%0.71278%0.784SS**  trans16.7144152.268.30000124.9
1366S29.8Very low33.4Very low117 Ų117140.2 Ų140.282%0.81878%0.776SS**  trans74.7146.1143-64.70000119.8
1367S28Very low33.3Very low100 Ų100142 Ų14270%0.69978%0.776SS**  cis-161.1145.9-20.4-173.90000111.6
1368S29.5Very low33.1Very low110 Ų110144.8 Ų144.877%0.76978%0.781SS**  trans22.1121.6156.457.20000122.6
1369R31.6Very low33.1Very low248 Ų248142.1 Ų142.194%0.93678%0.781SS**  trans-145.1158.6137.8-157.7167.3-178.9-156.6-2.3111.9
1370S31.1Very low32.8Very low107 Ų107139.2 Ų139.275%0.74878%0.78SS**  trans-83.9167.1-158.6-44.20000116.3
1371P38.7Very low32.4Very low121 Ų121134.7 Ų134.779%0.78678%0.778SS**  trans-102.9153.1-168.338.8-34.6000116.6
1372I35.6Very low32.3Very low172 Ų172128.7 Ų128.788%0.88277%0.773SS**  trans-144.8147.2160.2-65.397.4000104.8
1373G33.2Very low32.5Very low58 Ų58128.6 Ų128.660%0.59877%0.77SS**  cis157.2157.5-2.700000109.9
1374K37.5Very low32.4Very low208 Ų208130.2 Ų130.290%0.90477%0.772SS**  trans70.5165.5-178.9-50.2177.6-179.5-179.50116.1
1375V36.1Very low32.5Very low145 Ų145131.6 Ų131.688%0.87977%0.77SS**  cis-159.8151.9-39.6146.70000107.1
1376G33.5Very low32.7Very low62 Ų62132.7 Ų132.764%0.63977%0.767SS**  trans108.7111.7173.500000113.1
1377K31.2Very low33Very low193 Ų193136.3 Ų136.384%0.83977%0.771SS**  72.3102.864.1-64.1-151.1175.5-176.40112.4
1378H29.7Very low33.1Very low167 Ų167138.6 Ų138.677%0.77377%0.77SS**  75140.285.8-75-62.1000112.3
1379I31.6Very low33.2Very low158 Ų158141.5 Ų141.581%0.8177%0.771SS**  cis-158.2157.93.8-101154.5000105.8
1380G30.1Very low33.6Very low60 Ų60137.5 Ų137.562%0.61977%0.769SS**  cis162.2171-1.400000110.2
1381A33.1Very low33.7Very low97 Ų97136.1 Ų136.180%0.80276%0.764SS**  trans59.5127.6176.100000117.3
1382S30Very low33.6Very low114 Ų114141.5 Ų141.580%0.79777%0.769SS**  cis74162.27.2-1440000118
1383T35.1Very low33.6Very low108 Ų108138 Ų13866%0.66375%0.747SS**  trans62.4142.9-174.934.70000116.2
1384D35.4Very low33.8Very low148 Ų148137.9 Ų137.979%0.79173%0.73SS**  cis-114.6148.8-2.6-74.5-52.7000111.3
1385H33.1Very low33.7Very low154 Ų154134.6 Ų134.671%0.71372%0.718SS**  cis94.8120.412.7-129.969.5000117.5
1386H33.7Very low33.8Very low140 Ų140132.9 Ų132.965%0.64871%0.708SS**  trans-31.3152.8-176.9-52.2-87.8000120
1387H34.2Very low33.8Very low192 Ų192136.6 Ų136.689%0.88971%0.713SS**  -140.1143124.7-119.663.4000115.1
1388H30.3Very low34.2Very low149 Ų149135 Ų13569%0.6971%0.712SS**  trans-101.7146.8165.8-93.4-82.8000109.4
1389Q31.8Very low34.7Very low170 Ų170132.3 Ų132.379%0.79471%0.707SS**  trans47.1107.6146.2-63.8-175.2-26.900120.1
1390N40.2Very low34.7Very low164 Ų164136 Ų13688%0.87771%0.711SS**  -99.5145.4123.2-60.9-57.8000106.5
1391A32.7Very low35.1Very low79 Ų79140.6 Ų140.665%0.65372%0.716SS**  cis82.4123.816.700000116.1
1392R38.5Very low35.4Very low234 Ų234141.2 Ų141.288%0.88371%0.712SS**  trans77.1150.9171.1-52.6-176.3177-168.9-0.9115.8
1393K35.6Very low35.4Very low99 Ų99139.2 Ų139.243%0.4371%0.709SS.*  cis-165.1-163.4-23-114.9164.4154.2-117.30110.2E420 E421 S422E420-K1393 WeakPolarHBondContact O-CE 3.24Å; E421-K1393 WeakPolarHBondContact O-CB 3.42Å; E421-K1393 WeakPolarHBondContact O-CD 3.46Å; E421-K1393 VanDerWaalsContact O-CE 3.3Å; E421-K1393 WeakPolarHBondContact O-CE 3.26Å; E421-K1393 WeakPolarHBondContact O-CG 3.41Å; E421-K1393 PolarHBondContact O-NZ 2.9Å; E421-K1393 WeakPolarHBondContact OE1-CE 3.34Å; E421-K1393 IonicContact OE1-NZ 3.52Å; E421-K1393 PolarHBondContact OE1-NZ 2.88Å; S422-K1393 PolarHBondContact OG-NZ 3.07Å
1394K36.4Very low35.6Very low55 Ų55140 Ų14024%0.23972%0.716CS.*  trans-65.5128.2-164-97.9-164.5178.5165.50118.2G419 E420 S422 E423G419-K1394 WeakPolarHBondContact O-CG 3.35Å; E420-K1394 VanDerWaalsContact CD-CE 3.41Å; E420-K1394 VanDerWaalsContact OE1-CE 3.31Å; E420-K1394 WeakPolarHBondContact OE1-CE 3.38Å; E420-K1394 IonicContact OE1-NZ 3.66Å; E420-K1394 PolarHBondContact OE1-NZ 2.96Å; E420-K1394 WeakPolarHBondContact OE2-CE 3.37Å; E420-K1394 IonicContact OE2-NZ 3.28Å; E420-K1394 PolarHBondContact OE2-NZ 3.37Å; S422-K1394 WeakPolarHBondContact O-CB 3.49Å; S422-K1394 PolarHBondContact O-N 3.41Å; S422-K1394 VanDerWaalsContact O-N 3.16Å; E423-K1394 PolarHBondContact N-O 2.64Å
1395Q34.9Very low36Very low138 Ų138143.2 Ų143.265%0.64572%0.723SS**  65.4124.4108.5-154.6166.922.700122.3
1396T38.5Very low36Very low109 Ų109140.3 Ų140.367%0.66972%0.721SS**  trans64.198.1154.249.20000121.6
1397D34.3Very low36.1Very low140 Ų140140.9 Ų140.975%0.74973%0.727SS**  38111.7105.8-48.5-30.1000120.2
1398I39Very low36.2Very low161 Ų161141 Ų14183%0.82672%0.724SS**  -129.6133.8125.9-65.6-174.5000107.6
1399V39.5Very low36.2Very low109 Ų109143 Ų14366%0.66173%0.731SS**  trans-103.1143175.31700000109.7E1401V1399-E1401 HydrophobicContact CG1-CG 4.03Å
1400W32.3Very low36.4Very low237 Ų237141.3 Ų141.390%0.89873%0.732SS**  trans-126.7118.7154.1-90.2103.2000110.3
1401E37.4Very low35.9Very low156 Ų156139.9 Ų139.973%0.72973%0.725SS**  trans-87.6-153.9158.5-46.5-166.4143.300108.2V1399V1399-E1401 HydrophobicContact CG1-CG 4.03Å
1402P40.9Very low35.9Very low109 Ų109142 Ų14271%0.70873%0.725SS**  cis-130.3171.7-21.724.3-1.3000114.1
1403G30.2Very low35.7Very low72 Ų72137.1 Ų137.174%0.74272%0.717SS**  trans-179.683.4171.800000115.7
1404P38.7Very low35.4Very low125 Ų125143.6 Ų143.681%0.81274%0.74SS**  trans-78138.4-18031.5-34.1000112.5
1405K43.3Very low35.2Very low215 Ų215146.6 Ų146.694%0.93577%0.768SS**  trans-118.8142.3159.8-73.9-176.3179.2175.70109.5
1406S33.4Very low34.9Very low94 Ų94146.4 Ų146.466%0.65778%0.776SS**  trans-125.7175.1-157.756.20000112.1
1407I36.1Very low34.7Very low151 Ų151151.1 Ų151.177%0.77479%0.788SS**  trans75.4134.4172.3-48.9148.4000110.4
1408K35.4Very low34.4Very low194 Ų194147.8 Ų147.884%0.84377%0.772SS**  cis-151.9166.637.3-148.5157.8-174.4176.70113.7
1409K31.5Very low34Very low192 Ų192144.1 Ų144.184%0.83576%0.76SS**  trans-44.6176176.8-64.8178.6170.2-176.80118.1
1410V34.9Very low33.5Very low135 Ų135140.7 Ų140.782%0.81874%0.742SS**  trans94.698.2171.2-172.30000111.2
1411N29.6Very low33.4Very low133 Ų133135 Ų13571%0.71174%0.738SS**  cis68.98847.2-169.667.2000114.7
1412N33.8Very low33.3Very low125 Ų125137 Ų13767%0.66874%0.744SS**  -167.7147.9120.6-98.5-12.9000112.3
1413N33.3Very low33Very low131 Ų131136 Ų13670%0.70174%0.744SS**  trans54.883.2147.5-57.7-0.6000119
1414Y30.2Very low33.2Very low235 Ų235140.5 Ų140.592%0.92275%0.751SS**  16.9111.1129.6-61.2-84.5000117.9
1415S31.2Very low33Very low117 Ų117141.5 Ų141.582%0.81875%0.749SS**  trans-115.7147145.7-169.90000108.3
1416T30.3Very low32.6Very low135 Ų135140.9 Ų140.983%0.82875%0.746SS**  trans-71.7138.9-169.235.40000112.8
1417K33.7Very low32.7Very low208 Ų208142.4 Ų142.490%0.90475%0.751SS**  trans-131.3132.1153.1-77.7-159.4172.8-165.90109.7
1418V27.6Very low32.6Very low69 Ų69140.5 Ų140.542%0.41875%0.749SS.*  trans-92.2133.8165.2-67.30000107.7T404 E405T404-V1418 HydrophobicContact CG2-CB 3.69Å; T404-V1418 HydrophobicContact CG2-CG1 3.64Å; E405-V1418 HydrophobicContact CG-CG2 4.04Å
1419S29.9Very low32.3Very low84 Ų84139 Ų13959%0.58775%0.745SS**  trans-165.6153.9149.7-161.40000111.7E405 S406E405-S1419 CarbonylContact O-C 3.48Å; E405-S1419 WeakPolarHBondContact O-CA 3.42Å; E405-S1419 WeakPolarHBondContact O-CB 3.41Å; E405-S1419 PolarHBondContact O-OG 2.81Å; S406-S1419 PolarHBondContact OG-OG 3.16Å
1420S30.1Very low32.3Very low38 Ų38135.3 Ų135.327%0.26674%0.739SS.*  trans-87.5170.8-159.3112.70000116.3T404 E405 S406T404-S1420 WeakPolarHBondContact O-CB 3.3Å; E405-S1420 PolarHBondContact O-N 3.17Å; S406-S1420 VanDerWaalsContact CB-OG 3.23Å; S406-S1420 WeakPolarHBondContact CB-OG 3.4Å; S406-S1420 WeakPolarHBondContact OG-CA 3.46Å; S406-S1420 WeakPolarHBondContact OG-CB 3.34Å; S406-S1420 PolarHBondContact OG-N 3.31Å; S406-S1420 PolarHBondContact OG-O 3.31Å; S406-S1420 PolarHBondContact OG-OG 3.06Å
1421S31.2Very low32Very low116 Ų116135 Ų13581%0.81174%0.737SS**  trans-153.689.2150.7-80.40000113.2
1422K33.6Very low32.1Very low200 Ų200132.8 Ų132.887%0.8773%0.732SS**  trans-176.8144143.1-103.8153.5-172.2172.30114.6
1423A35.1Very low32.1Very low86 Ų86134.9 Ų134.971%0.71173%0.731SS**  trans2.5140.6157.200000119.2
1424L35.1Very low31.9Very low168 Ų168138.8 Ų138.888%0.8874%0.735SS**  -147.8131.251.6-78.6159.7000114.5
1425L34.2Very low32.1Very low146 Ų146130 Ų13076%0.76471%0.712SS**  trans-100.1119.2156.2-90.7167.7000109.6
1426K34.8Very low32.1Very low202 Ų202130.4 Ų130.488%0.87871%0.705SS**  trans-155.2123.2153-153.6152.4-171.71690112.2
1427T35.3Very low32.4Very low125 Ų125128.4 Ų128.477%0.76769%0.686SS**  trans-66.9147.6-171.351.30000114.1
1428P33.8Very low32.5Very low112 Ų112121.5 Ų121.573%0.72766%0.657SS**  trans-75.8156.9164.234.8-35.2000111.4
1429E29.3Very low32.8Very low162 Ų162126 Ų12676%0.75767%0.667SS**  160.4123.2124.1-87.7-100.7110.700112.1
1430T30.8Very low33Very low115 Ų115128.5 Ų128.571%0.70667%0.669SS**  trans58.5131.4159.171.80000120.4
1431T29.7Very low33.1Very low128 Ų128131.3 Ų131.379%0.78569%0.689SS**  172.3108.2109.6-77.50000113.3
1432S31.1Very low33.3Very low86 Ų86133.3 Ų133.360%0.60169%0.686SS**  trans64110.2137.2178.90000123
1433R33Very low33.1Very low170 Ų170132.7 Ų132.764%0.64269%0.685SS**  67.1126.5127.4-58.5174.6-173.4-162.6-3.4120.7D15D15-R1433 IonicContact OD1-CZ 3.71Å; D15-R1433 VanDerWaalsContact OD1-CZ 3.3Å; D15-R1433 IonicContact OD1-NH1 2.7Å; D15-R1433 PolarHBondContact OD1-NH1 3.28Å; D15-R1433 IonicContact OD1-NH2 2.65Å; D15-R1433 PolarHBondContact OD1-NH2 3.13Å; D15-R1433 IonicContact OD2-NH1 2.73Å
1434R29.6Very low32.9Very low212 Ų212137 Ų13780%0.869%0.69SS**  71.2134.5121.5-165.4-175.9-157.81393.8118
1435A33.7Very low32.8Very low52 Ų52134 Ų13443%0.4368%0.684SS.*  cis-166.2167.1-9.200000111R783R783-A1435 PolarHBondContact NH2-O 3.43Å
1436D33.1Very low32.7Very low124 Ų124131.1 Ų131.166%0.66368%0.676SS**  trans16.5133.9149.8-37.2-36.7000119.4R783R783-D1436 PolarHBondContact NH2-O 3.34Å
1437H35.8Very low32.6Very low93 Ų93133.4 Ų133.443%0.43168%0.679SS.*  trans-157.1159.4132.1-119.4-97.1000110.5R783 S785R783-H1437 HydrophobicContact CG-CB 3.75Å; R783-H1437 PolarHBondContact NH1-CD2 2.88Å; S785-H1437 WeakPolarHBondContact CA-O 3.15Å; S785-H1437 PolarHBondContact N-O 2.76Å
1438H35Very low32.5Very low64 Ų64133.6 Ų133.630%0.29668%0.676SS.*  trans-131.9155-155.4-143.9-60.4000110.8N787N787-H1438 PolarHBondContact ND2-NE2 2.81Å
1439Y33.5Very low32.4Very low163 Ų163133.7 Ų133.764%0.63968%0.679SS**  trans70.7105.8168.4-58.6-72.7000118.9S784 S785S784-Y1439 WeakPolarHBondContact CB-O 3.23Å; S785-Y1439 PolarHBondContact OG-N 3.34Å
1440H34.7Very low32.7Very low137 Ų137135.2 Ų135.263%0.63469%0.686SS**  -120.7140.4125.2-109.941.5000108
1441S33.2Very low32.9Very low97 Ų97134.4 Ų134.468%0.67869%0.685SS**  trans-123.4123173.8170.20000105.9
1442Q34.1Very low33Very low158 Ų158136 Ų13674%0.73868%0.683SS**  trans49.8112.5170.1-50.5-59.57.700117.5
1443H30.5Very low33.3Very low186 Ų186139.9 Ų139.986%0.86170%0.697SS**  -138.7136.5126.4-128.3-76.7000108.9
1444E30.5Very low33.3Very low176 Ų176136.4 Ų136.482%0.82270%0.699SS**  trans-76.5157-178-64.9156.4117.100111.4
1445S33.7Very low33.7Very low106 Ų106134.1 Ų134.174%0.74170%0.703SS**  trans-135.6115.5174.160.60000111.9
1446S30.7Very low33.6Very low86 Ų86136.5 Ų136.560%0.60172%0.716SS**  trans52.189.5153.460.80000118.8
1447R34.2Very low33.6Very low249 Ų249135.7 Ų135.794%0.9472%0.72SS**  -145.583.9125-65.7-167.3-178.9164.40.4106.7
1448D32.5Very low33.5Very low130 Ų130137 Ų13770%0.69574%0.74SS**  65.4111.177.5-61.7-46.1000113.7
1449S31.7Very low33.2Very low113 Ų113139.1 Ų139.179%0.7976%0.762SS**  trans58.5116.6156-54.80000120
1450E35.7Very low33Very low194 Ų194136.6 Ų136.691%0.90777%0.768SS**  -165.5-177.497.1-107.5-174.3130.800113.7
1451S34.9Very low32.8Very low99 Ų99135.2 Ų135.269%0.69277%0.774SS**  trans-74.8151.9-152.754.10000118.4
1452H32.3Very low32.7Very low162 Ų162136.8 Ų136.875%0.7578%0.779SS**  trans-29.1145.9149.6-61.2-95.4000115.8
1453N35.9Very low32.9Very low166 Ų166142.3 Ų142.389%0.88880%0.801SS**  -136.7144.9122.4-99.6-35.6000108.9
1454S33.3Very low33Very low97 Ų97140.2 Ų140.268%0.67880%0.798SS**  trans-117.398.3-174.8-62.20000110
1455D38.8Very low33.1Very low164 Ų164138.3 Ų138.388%0.87780%0.797SS**  trans-101.9138.2164.3-83-54000110.1
1456S30.7Very low33.1Very low102 Ų102140.1 Ų140.171%0.71380%0.8SS**  trans-134165.2-175.4-700000110.6
1457S34.9Very low33.2Very low107 Ų107143.2 Ų143.275%0.74881%0.812SS**  trans86.2121.9154.2-51.20000118.9
1458S33.3Very low33.2Very low122 Ų122136.6 Ų136.685%0.85380%0.804SS**  trans83.9157.3132.2-620000120.2
1459S28.2Very low33.2Very low107 Ų107137.1 Ų137.175%0.74881%0.811SS**  trans-125.1168.4-165.1-45.90000111.6
1460S29Very low33.3Very low111 Ų111138.8 Ų138.878%0.77681%0.812SS**  trans76.1175151.7810000118.6
1461S31.8Very low33.1Very low107 Ų107134.5 Ų134.575%0.74881%0.805SS**  trans65.9134.7-161.369.80000113.7
1462V30.9Very low33Very low130 Ų130137.5 Ų137.579%0.78882%0.815SS**  cis76.194.420.1-168.50000114.7
1463F36.8Very low33Very low275 Ų275135.3 Ų135.3100%1.20682%0.82SS**  -1450116-118.7-78000110.1

Retrieved 1,463 of 1,463 residues in 345.8 ms (Link to these results)