A0A087Y3T9_POEFO Loading...

Family with sequence similarity 222 member Aa

AlphaFold DB , UniProt , Accession A0A087Y3T9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 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
1S48.5Very low78.7Confident171 Ų171116.5 Ų116.5100%1.19665%0.653SS**  0113.70-174.50000108.5R3S1-R3 PolarHBondContact O-N 3.21Å
2S51Low79.4Confident96 Ų96111.6 Ų111.667%0.67164%0.638SS**  trans-76.211017242.10000108.8Y4S2-Y4 PolarHBondContact O-N 2.88Å
3R76.8Confident79.8Confident221 Ų221114.8 Ų114.883%0.83464%0.636SS**PPolyproline II helixtrans-64118.2169.6-80.7-162.1-80147.1-8.8108.1S1S1-R3 PolarHBondContact O-N 3.21Å
4Y78.7Confident80.1Confident199 Ų199110.4 Ų110.478%0.7862%0.621SS**PPolyproline II helixtrans-59.9138.5164.7-66.3-82.1000108.5S2S2-Y4 PolarHBondContact O-N 2.88Å
5P83.6Confident80.4Confident73 Ų73110.9 Ų110.947%0.47462%0.617SS.*PPolyproline II helixtrans-63.4138.5179.527.7-34.9000109.9E9 L10P5-E9 HydrophobicContact CB-CB 4.35Å; P5-L10 HydrophobicContact CB-CD2 4.16Å; P5-L10 HydrophobicContact CB-CG 4.15Å; P5-L10 HydrophobicContact CG-CD1 4.41Å; P5-L10 HydrophobicContact CG-CD2 3.79Å; P5-L10 HydrophobicContact CG-CG 4.09Å
6T88.1Confident80.7Confident77 Ų77114.3 Ų114.347%0.47262%0.623SS.*PPolyproline II helixtrans-70.7159.2174.561.90000110.8A8 E9 L10T6-A8 PolarHBondContact O-N 3.41Å; T6-E9 WeakPolarHBondContact CB-OE2 3.41Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.44Å; T6-E9 PolarHBondContact N-OE2 2.77Å; T6-E9 PolarHBondContact O-N 3.47Å; T6-E9 WeakPolarHBondContact OG1-CG 3.49Å; T6-E9 PolarHBondContact OG1-OE2 2.9Å; T6-L10 PolarHBondContact O-N 3.01Å
7A86.6Confident80.7Confident83 Ų83109.8 Ų109.869%0.68660%0.6SS**Hα-helixtrans-56.3-34.3178.900000112.9L10 D11A7-L10 PolarHBondContact O-N 3.46Å; A7-D11 WeakPolarHBondContact O-CB 3.49Å; A7-D11 PolarHBondContact O-N 2.86Å
8A88.1Confident80.5Confident74 Ų74107.8 Ų107.861%0.61260%0.601SS**Hα-helixtrans-69.5-3617600000113T6 A12T6-A8 PolarHBondContact O-N 3.41Å; A8-A12 VanDerWaalsContact O-CB 3.25Å; A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 3.01Å
9E88.5Confident80.1Confident100 Ų100110.1 Ų110.147%0.46761%0.612SS.*Hα-helixtrans-69.6-35.1174.7-70.5163.2125.100111.4P5 T6 Y13P5-E9 HydrophobicContact CB-CB 4.35Å; T6-E9 WeakPolarHBondContact CB-OE2 3.41Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.44Å; T6-E9 PolarHBondContact N-OE2 2.77Å; T6-E9 PolarHBondContact O-N 3.47Å; T6-E9 WeakPolarHBondContact OG1-CG 3.49Å; T6-E9 PolarHBondContact OG1-OE2 2.9Å; E9-Y13 WeakPolarHBondContact O-CB 3.47Å; E9-Y13 PolarHBondContact O-N 2.93Å; E9-Y13 VanDerWaalsContact O-N 3.08Å
10L86.5Confident79.8Confident98 Ų98108.4 Ų108.451%0.51361%0.607SS.*Hα-helixtrans-68.8-43.5173.8-69.5173.3000112.4P5 T6 A7 Y13 A14P5-L10 HydrophobicContact CB-CD2 4.16Å; P5-L10 HydrophobicContact CB-CG 4.15Å; P5-L10 HydrophobicContact CG-CD1 4.41Å; P5-L10 HydrophobicContact CG-CD2 3.79Å; P5-L10 HydrophobicContact CG-CG 4.09Å; T6-L10 PolarHBondContact O-N 3.01Å; A7-L10 PolarHBondContact O-N 3.46Å; L10-Y13 PolarHBondContact O-N 2.95Å; L10-A14 WeakPolarHBondContact O-CB 3.45Å; L10-A14 PolarHBondContact O-N 2.84Å
11D89.3Confident79.3Confident89 Ų89108.3 Ų108.348%0.47661%0.611SS.*Hα-helixtrans-68-43.2177.5-173.455.2000111.8A7 Y13 A14 Q15A7-D11 WeakPolarHBondContact O-CB 3.49Å; A7-D11 PolarHBondContact O-N 2.86Å; D11-Y13 PolarHBondContact O-N 2.91Å; D11-A14 WeakPolarHBondContact O-CB 3.3Å; D11-A14 PolarHBondContact O-N 2.78Å; D11-Q15 WeakPolarHBondContact O-CG 3.34Å; D11-Q15 PolarHBondContact O-N 3.11Å; D11-Q15 PolarHBondContact OD2-NE2 3.18Å
12A87.4Confident80.4Confident58 Ų58106.9 Ų106.948%0.47959%0.59SS.*Hα-helixtrans-59.6-35.7172.900000112.4A8 K16A8-A12 VanDerWaalsContact O-CB 3.25Å; A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 3.01Å; A12-K16 VanDerWaalsContact O-CB 3.23Å; A12-K16 WeakPolarHBondContact O-CB 3.35Å; A12-K16 PolarHBondContact O-N 3.28Å; A12-K16 VanDerWaalsContact O-N 3.08Å
13Y84.3Confident80.9Confident154 Ų154107.8 Ų107.860%0.60460%0.596SS**Hα-helixtrans-68.3-43.8172-175-91.8000111.9E9 L10 D11 K16 T17E9-Y13 WeakPolarHBondContact O-CB 3.47Å; E9-Y13 PolarHBondContact O-N 2.93Å; E9-Y13 VanDerWaalsContact O-N 3.08Å; L10-Y13 PolarHBondContact O-N 2.95Å; D11-Y13 PolarHBondContact O-N 2.91Å; Y13-K16 PolarHBondContact O-N 3.03Å; Y13-T17 PolarHBondContact O-N 3.41Å; Y13-T17 PolarHBondContact O-OG1 2.63Å
14A84.5Confident80.4Confident52 Ų52103.7 Ų103.743%0.4359%0.589SS.*Hα-helixtrans-60.3-48.1176.900000111.9L10 D11 K16 T17 A18L10-A14 WeakPolarHBondContact O-CB 3.45Å; L10-A14 PolarHBondContact O-N 2.84Å; D11-A14 WeakPolarHBondContact O-CB 3.3Å; D11-A14 PolarHBondContact O-N 2.78Å; A14-K16 VanDerWaalsContact C-N 3.34Å; A14-K16 PolarHBondContact O-N 3.11Å; A14-T17 PolarHBondContact O-N 3.46Å; A14-A18 WeakPolarHBondContact O-CB 3.43Å; A14-A18 PolarHBondContact O-N 3.23Å
15Q84.4Confident79.8Confident119 Ų119100.7 Ų100.756%0.55658%0.58SS**Hα-helixtrans-61-40.3175.6-65.9-176.827.600112.2D11 A18D11-Q15 WeakPolarHBondContact O-CG 3.34Å; D11-Q15 PolarHBondContact O-N 3.11Å; D11-Q15 PolarHBondContact OD2-NE2 3.18Å; Q15-A18 PolarHBondContact O-N 2.84Å
16K84.4Confident79.3Confident164 Ų164103.4 Ų103.471%0.71359%0.589SS**Hα-helixtrans-64-38175.5-177.5-179.6179.2-178.30112.5A12 Y13 A14A12-K16 VanDerWaalsContact O-CB 3.23Å; A12-K16 WeakPolarHBondContact O-CB 3.35Å; A12-K16 PolarHBondContact O-N 3.28Å; A12-K16 VanDerWaalsContact O-N 3.08Å; Y13-K16 PolarHBondContact O-N 3.03Å; A14-K16 VanDerWaalsContact C-N 3.34Å; A14-K16 PolarHBondContact O-N 3.11Å
17T82.1Confident78.3Confident39 Ų39105.5 Ų105.524%0.23959%0.592CS.*Hα-helixtrans-85.3-22179.6-60.80000113.2Y13 A14 N19 S20Y13-T17 PolarHBondContact O-N 3.41Å; Y13-T17 PolarHBondContact O-OG1 2.63Å; A14-T17 PolarHBondContact O-N 3.46Å; T17-N19 VanDerWaalsContact C-N 3.26Å; T17-N19 PolarHBondContact O-N 3.38Å; T17-S20 CarbonylContact O-C 3.58Å; T17-S20 VanDerWaalsContact O-C 3.26Å; T17-S20 WeakPolarHBondContact O-CA 3.33Å; T17-S20 PolarHBondContact O-N 3.43Å
18A76.6Confident77.6Confident74 Ų74106.4 Ų106.461%0.61259%0.591SS**Hα-helixtrans-56.6-37.7179.400000113.2A14 Q15 S20A14-A18 WeakPolarHBondContact O-CB 3.43Å; A14-A18 PolarHBondContact O-N 3.23Å; Q15-A18 PolarHBondContact O-N 2.84Å; A18-S20 VanDerWaalsContact C-N 3.29Å
19N73Confident76.5Confident151 Ų151108.3 Ų108.381%0.80760%0.595SS**THydrogen-bonded Turntrans-84.91.2176.1-63-56.9000113.7T17T17-N19 VanDerWaalsContact C-N 3.26Å; T17-N19 PolarHBondContact O-N 3.38Å
20S73.8Confident75.1Confident75 Ų75109.8 Ų109.852%0.52461%0.606SS.*SBendtrans-126.469.7-179.1-168.90000109.8T17 A18 L22T17-S20 CarbonylContact O-C 3.58Å; T17-S20 VanDerWaalsContact O-C 3.26Å; T17-S20 WeakPolarHBondContact O-CA 3.33Å; T17-S20 PolarHBondContact O-N 3.43Å; A18-S20 VanDerWaalsContact C-N 3.29Å; S20-L22 PolarHBondContact O-N 3.4Å
21P69.1Low74Confident107 Ų107110 Ų11070%0.69561%0.607SS**  trans-58.9124.4-176.724-34.1000110.7S23P21-S23 PolarHBondContact O-N 3.34Å
22L70.6Confident73Confident142 Ų142116.4 Ų116.474%0.74363%0.625SS**  trans-64.695.4178.3-64.7175.5000109.3S20 I24S20-L22 PolarHBondContact O-N 3.4Å; L22-I24 PolarHBondContact O-N 3.13Å
23S63.5Low72.1Confident114 Ų114118.8 Ų118.880%0.79763%0.633SS**  trans-75.670.2-178.749.70000111.2P21 K25P21-S23 PolarHBondContact O-N 3.34Å; S23-K25 PolarHBondContact O-N 2.91Å
24I66.2Low71.3Confident136 Ų136117.2 Ų117.270%0.69764%0.641SS**  trans-59.4108.3172.8-54.7180000107.5L22 I26L22-I24 PolarHBondContact O-N 3.13Å; I24-I26 HydrophobicContact CB-CG1 4.38Å; I24-I26 HydrophobicContact CG2-CG1 3.85Å; I24-I26 PolarHBondContact O-N 3.2Å
25K64.3Low70.7Confident136 Ų136123.3 Ų123.359%0.59166%0.661SS**  trans-8068.4-177.5-172164.8178.8170.60110.1S23 F27 T29S23-K25 PolarHBondContact O-N 2.91Å; K25-F27 WeakPolarHBondContact CG-O 3.34Å; K25-F27 PolarHBondContact O-N 2.87Å; K25-T29 PolarHBondContact NZ-OG1 2.72Å
26I75Confident69.8Low129 Ų129125.2 Ų125.266%0.66267%0.67SS**  trans-53.8-27.7-176.5-63.3169.2000111.8I24I24-I26 HydrophobicContact CB-CG1 4.38Å; I24-I26 HydrophobicContact CG2-CG1 3.85Å; I24-I26 PolarHBondContact O-N 3.2Å
27F65.8Low68.8Low121 Ų121126.3 Ų126.353%0.53167%0.674SS.*SBendtrans-128.5150.5174-56.3-81.5000111.8K25 I31K25-F27 WeakPolarHBondContact CG-O 3.34Å; K25-F27 PolarHBondContact O-N 2.87Å; F27-I31 HydrophobicContact CB-CD1 3.67Å; F27-I31 HydrophobicContact CB-CG1 3.45Å; F27-I31 VanDerWaalsContact CB-CG1 3.45Å; F27-I31 HydrophobicContact CD1-CD1 4.18Å; F27-I31 HydrophobicContact CD1-CG1 4.18Å; F27-I31 HydrophobicContact CD2-CD1 3.46Å; F27-I31 VanDerWaalsContact CD2-CD1 3.46Å; F27-I31 HydrophobicContact CD2-CG1 4.2Å; F27-I31 HydrophobicContact CE2-CD1 4.11Å; F27-I31 HydrophobicContact CG-CD1 3.49Å; F27-I31 VanDerWaalsContact CG-CD1 3.49Å; F27-I31 HydrophobicContact CG-CG1 3.7Å
28P72.9Confident67.8Low103 Ų103132.5 Ų132.567%0.66970%0.7SS**  trans-50.3147.8160.4-23.433.9000110.5N30 I31P28-N30 PolarHBondContact O-N 2.8Å; P28-I31 PolarHBondContact O-N 3.19Å
29T63.5Low67.1Low113 Ų113135.9 Ų135.969%0.69371%0.707SS**SBendtrans-63.44.8-174.9120000115.3K25K25-T29 PolarHBondContact NZ-OG1 2.72Å
30N59.3Low66.4Low131 Ų131131.2 Ų131.270%0.70168%0.682SS**  trans-130.674.7172.7-75.3-83.3000109.4P28 R32P28-N30 PolarHBondContact O-N 2.8Å; N30-R32 VanDerWaalsContact C-N 3.3Å; N30-R32 PolarHBondContact O-N 3.11Å
31I63.2Low66.3Low104 Ų104137.5 Ų137.553%0.53370%0.695SS.*  trans-64.598.4159.9-54.6171.1000106.3F27 P28 V33F27-I31 HydrophobicContact CB-CD1 3.67Å; F27-I31 HydrophobicContact CB-CG1 3.45Å; F27-I31 VanDerWaalsContact CB-CG1 3.45Å; F27-I31 HydrophobicContact CD1-CD1 4.18Å; F27-I31 HydrophobicContact CD1-CG1 4.18Å; F27-I31 HydrophobicContact CD2-CD1 3.46Å; F27-I31 VanDerWaalsContact CD2-CD1 3.46Å; F27-I31 HydrophobicContact CD2-CG1 4.2Å; F27-I31 HydrophobicContact CE2-CD1 4.11Å; F27-I31 HydrophobicContact CG-CD1 3.49Å; F27-I31 VanDerWaalsContact CG-CD1 3.49Å; F27-I31 HydrophobicContact CG-CG1 3.7Å; P28-I31 PolarHBondContact O-N 3.19Å; I31-V33 HydrophobicContact CG2-CG2 4.35Å; I31-V33 PolarHBondContact O-N 2.98Å
32R69.6Low66.2Low223 Ų223136.6 Ų136.684%0.84269%0.687SS**  trans-7285.3167.4-85.8176.8-85.1-175.5-6.5107.8N30 P34N30-R32 VanDerWaalsContact C-N 3.3Å; N30-R32 PolarHBondContact O-N 3.11Å; R32-P34 WeakPolarHBondContact O-CD 3.17Å; R32-P34 VanDerWaalsContact O-N 3.16Å
33V68.6Low65.9Low108 Ų108134.2 Ų134.266%0.65568%0.678SS**  trans-48.4120.8165.2177.90000106.7I31 Q35I31-V33 HydrophobicContact CG2-CG2 4.35Å; I31-V33 PolarHBondContact O-N 2.98Å; V33-Q35 PolarHBondContact O-N 3.27Å
34P66.7Low66Low120 Ų120136 Ų13678%0.77968%0.679SS**  trans-62.4103172.9-19.932.7000107.1R32 H36R32-P34 WeakPolarHBondContact O-CD 3.17Å; R32-P34 VanDerWaalsContact O-N 3.16Å; P34-H36 PolarHBondContact O-N 3.03Å; P34-H36 VanDerWaalsContact O-N 3.16Å
35Q73Confident66.1Low181 Ų181132.6 Ų132.685%0.84668%0.678SS**  trans-54128.6174.4-77.9-168.6-1200107.3V33 K37V33-Q35 PolarHBondContact O-N 3.27Å; Q35-K37 PolarHBondContact O-N 3.23Å
36H63.8Low65.8Low158 Ų158134.9 Ų134.973%0.73168%0.684SS**  trans-49.8104.9-175174.2-72.4000108.8P34 H38P34-H36 PolarHBondContact O-N 3.03Å; P34-H36 VanDerWaalsContact O-N 3.16Å; H36-H38 PolarHBondContact O-N 2.82Å; H36-H38 VanDerWaalsContact O-N 3.13Å
37K65.3Low65.2Low187 Ų187132.3 Ų132.381%0.81367%0.671SS**  trans-49.9127.8177.6-74.2-170.7176.9-174.50106.5Q35 L39Q35-K37 PolarHBondContact O-N 3.23Å; K37-L39 PolarHBondContact O-N 2.86Å
38H60Low65.1Low169 Ų169131.2 Ų131.278%0.78268%0.675SS**  trans-54.5108.3171.7-99.4-108.4000107H36 N40H36-H38 PolarHBondContact O-N 2.82Å; H36-H38 VanDerWaalsContact O-N 3.13Å; H38-N40 PolarHBondContact O-N 2.98Å; H38-N40 PolarHBondContact O-OD1 3.27Å
39L61.3Low64.5Low145 Ų145130.4 Ų130.476%0.75967%0.668SS**  trans-79.381.4-179.4-172.177.9000105.8K37 R41K37-L39 PolarHBondContact O-N 2.86Å; L39-R41 PolarHBondContact O-N 2.81Å
40N59.6Low64.2Low53 Ų53127.8 Ų127.828%0.28366%0.663SS.*  trans-52115.2176.9-68.31.8000107.3H38 T42 D47 T49H38-N40 PolarHBondContact O-N 2.98Å; H38-N40 PolarHBondContact O-OD1 3.27Å; N40-T42 VanDerWaalsContact C-N 3.27Å; N40-T42 PolarHBondContact O-N 3.38Å; N40-D47 WeakPolarHBondContact CB-OD1 3.32Å; N40-D47 WeakPolarHBondContact CB-OD2 3.39Å; N40-D47 PolarHBondContact ND2-OD2 2.95Å; N40-T49 HydrophobicContact CB-CG2 3.97Å; N40-T49 PolarHBondContact ND2-OG1 3.11Å; N40-T49 WeakPolarHBondContact OD1-CG2 3.39Å
41R71.7Confident64.3Low208 Ų208129.6 Ų129.679%0.78567%0.668SS**  trans-70.886-172.9-84.7-178166.3152.6-3.7109.1L39 V43 T48L39-R41 PolarHBondContact O-N 2.81Å; R41-V43 PolarHBondContact O-N 3.06Å; R41-T48 WeakPolarHBondContact O-CG2 3.34Å; R41-T48 PolarHBondContact O-OG1 3.16Å
42T66.6Low63.9Low87 Ų87134.4 Ų134.453%0.53468%0.679SS.*EExtended strand (participates in β ladder)trans-72.1113.1178.139.60000110.3N40 Y46 D47N40-T42 VanDerWaalsContact C-N 3.27Å; N40-T42 PolarHBondContact O-N 3.38Å; T42-Y46 VanDerWaalsContact CA-O 3.3Å; T42-Y46 WeakPolarHBondContact CA-O 3.32Å; T42-D47 HydrophobicContact CG2-CB 4.43Å
43V64.6Low63Low92 Ų92135.2 Ų135.256%0.55868%0.684SS**EExtended strand (participates in β ladder)trans-99.6122.2170.5-179.20000107.1R41 G45 Y46R41-V43 PolarHBondContact O-N 3.06Å; V43-G45 PolarHBondContact O-N 2.89Å; V43-G45 VanDerWaalsContact O-N 3.11Å; V43-Y46 PolarHBondContact N-O 2.76Å; V43-Y46 PolarHBondContact O-N 3.48Å
44N66Low61.9Low152 Ų152134.2 Ų134.281%0.81368%0.682SS**THydrogen-bonded Turntrans51.532.2-175-58.2-15.9000113.8Y46N44-Y46 WeakPolarHBondContact O-CD2 3.4Å
45G66.9Low61.2Low65 Ų65134.7 Ų134.767%0.6769%0.685SS**THydrogen-bonded Turntrans86.1-7.3-178.200000115.8V43V43-G45 PolarHBondContact O-N 2.89Å; V43-G45 VanDerWaalsContact O-N 3.11Å
46Y58Low59.8Low183 Ų183135.3 Ų135.372%0.71868%0.681SS**EExtended strand (participates in β ladder)trans-92127.2-179.3-67.2-85.4000112.1T42 V43 N44 T48T42-Y46 VanDerWaalsContact CA-O 3.3Å; T42-Y46 WeakPolarHBondContact CA-O 3.32Å; V43-Y46 PolarHBondContact N-O 2.76Å; V43-Y46 PolarHBondContact O-N 3.48Å; N44-Y46 WeakPolarHBondContact O-CD2 3.4Å; Y46-T48 PolarHBondContact O-N 2.88Å
47D63.2Low58.9Low76 Ų76132.7 Ų132.741%0.40668%0.678SS.*EExtended strand (participates in β ladder)trans-75.4114.2179.4-172.1-27.2000111.4N40 T42 T49N40-D47 WeakPolarHBondContact CB-OD1 3.32Å; N40-D47 WeakPolarHBondContact CB-OD2 3.39Å; N40-D47 PolarHBondContact ND2-OD2 2.95Å; T42-D47 HydrophobicContact CG2-CB 4.43Å; D47-T49 VanDerWaalsContact C-N 3.28Å; D47-T49 PolarHBondContact O-N 3.1Å; D47-T49 WeakPolarHBondContact OD1-CB 3.23Å; D47-T49 PolarHBondContact OD1-N 3.37Å; D47-T49 PolarHBondContact OD1-OG1 2.94Å
48T63.3Low58.1Low98 Ų98131.2 Ų131.260%0.60167%0.674SS**THydrogen-bonded Turntrans-81.51.8-178.367.20000114.3R41 Y46R41-T48 WeakPolarHBondContact O-CG2 3.34Å; R41-T48 PolarHBondContact O-OG1 3.16Å; Y46-T48 PolarHBondContact O-N 2.88Å
49T61.1Low57.7Low85 Ų85130.6 Ų130.652%0.52168%0.675SS.*THydrogen-bonded Turntrans-85.4-17.4-18067.20000113.2N40 D47 Q51N40-T49 HydrophobicContact CB-CG2 3.97Å; N40-T49 PolarHBondContact ND2-OG1 3.11Å; N40-T49 WeakPolarHBondContact OD1-CG2 3.39Å; D47-T49 VanDerWaalsContact C-N 3.28Å; D47-T49 PolarHBondContact O-N 3.1Å; D47-T49 WeakPolarHBondContact OD1-CB 3.23Å; D47-T49 PolarHBondContact OD1-N 3.37Å; D47-T49 PolarHBondContact OD1-OG1 2.94Å; T49-Q51 PolarHBondContact O-N 3.23Å
50G56.7Low57.1Low58 Ų58129.7 Ų129.760%0.59867%0.667SS**  trans-88.394.3178.700000114
51Q60.4Low56.6Low170 Ų170133.2 Ų133.279%0.79469%0.69SS**  trans-64.2152.5147.6-84.7-74.2-8.100109.3T49T49-Q51 PolarHBondContact O-N 3.23Å
52R56Low55.5Low205 Ų205126.5 Ų126.577%0.77469%0.686SS**  trans79.650.3172.3-44.2-59.5-177.974.90.6118.8
53Y51.1Low54.7Low239 Ų239125.1 Ų125.194%0.93769%0.688SS**  trans-137.886.9142.6-117.1-83.5000111.1
54S43.7Very low53.7Low88 Ų88130.1 Ų130.162%0.61570%0.699SS**  trans-119.9130.9171-179.90000108.5Y56S54-Y56 PolarHBondContact O-N 3.13Å; S54-Y56 VanDerWaalsContact O-N 3.11Å
55P53Low52.9Low130 Ų130130.3 Ų130.384%0.84470%0.695SS**SBendtrans-68.8-2.6-177.3-22.934.8000116.1
56Y43.8Very low52Low194 Ų194130.1 Ų130.176%0.76169%0.692SS**SBendtrans-95.4137-178.8-84.6-93.6000112.4S54 H58S54-Y56 PolarHBondContact O-N 3.13Å; S54-Y56 VanDerWaalsContact O-N 3.11Å; Y56-H58 PolarHBondContact O-N 3.06Å; Y56-H58 VanDerWaalsContact O-N 3.11Å
57P45.2Very low51.8Low102 Ų102129.2 Ų129.266%0.66270%0.699SS**  trans-68.7109.6178.628.3-34000110.6L59P57-L59 PolarHBondContact O-N 2.83Å
58H47.8Very low51.4Low157 Ų157132.6 Ų132.673%0.72772%0.716SS**  trans-7868.8-177.4-155.7-72.3000111.8Y56 H60Y56-H58 PolarHBondContact O-N 3.06Å; Y56-H58 VanDerWaalsContact O-N 3.11Å; H58-H60 PolarHBondContact CE1-O 2.94Å; H58-H60 PolarHBondContact ND1-O 2.82Å; H58-H60 PolarHBondContact O-N 3.47Å
59L50.9Low50.8Low156 Ų156132 Ų13282%0.81772%0.721SS**  trans-68.138.1-179.6-80.6170.8000114.4P57P57-L59 PolarHBondContact O-N 2.83Å
60H49.2Very low50Low126 Ų126134.7 Ų134.758%0.58373%0.731SS**  trans-163.7103.6161.6-128-107.6000110.9H58 Y64H58-H60 PolarHBondContact CE1-O 2.94Å; H58-H60 PolarHBondContact ND1-O 2.82Å; H58-H60 PolarHBondContact O-N 3.47Å; H60-Y64 AromaticContact CE1-CD2 3.41Å; H60-Y64 VanDerWaalsContact CE1-CD2 3.41Å; H60-Y64 WeakPolarHBondContact CE1-CD2 3.49Å; H60-Y64 AromaticContact CE1-CE2 3.49Å; H60-Y64 VanDerWaalsContact CE1-CE2 3.49Å; H60-Y64 WeakPolarHBondContact CE1-CE2 3.37Å; H60-Y64 AromaticContact NE2-CD2 3.85Å; H60-Y64 AromaticContact NE2-CE2 3.49Å; H60-Y64 WeakPolarHBondContact NE2-CE2 3.47Å
61T50.1Low49.5Very low127 Ų127138.1 Ų138.178%0.77974%0.74SS**  trans-169.476.7150.6-68.30000106.3
62G47.9Very low48.6Very low67 Ų67139.6 Ų139.669%0.69174%0.744SS**SBendtrans-159.791.4-17600000111.3Y64G62-Y64 PolarHBondContact O-N 2.87Å
63G49.3Very low47.5Very low57 Ų57134.7 Ų134.759%0.58874%0.741SS**  trans57.342.7158.200000117.8Q65G63-Q65 VanDerWaalsContact C-N 3.32Å; G63-Q65 PolarHBondContact O-N 2.85Å; G63-Q65 PolarHBondContact O-NE2 2.87Å
64Y43.6Very low46.7Very low197 Ų197128.4 Ų128.477%0.77373%0.732SS**  trans-7096.2161.3-108.7-88.3000109.1H60 G62 G66H60-Y64 AromaticContact CE1-CD2 3.41Å; H60-Y64 VanDerWaalsContact CE1-CD2 3.41Å; H60-Y64 WeakPolarHBondContact CE1-CD2 3.49Å; H60-Y64 AromaticContact CE1-CE2 3.49Å; H60-Y64 VanDerWaalsContact CE1-CE2 3.49Å; H60-Y64 WeakPolarHBondContact CE1-CE2 3.37Å; H60-Y64 AromaticContact NE2-CD2 3.85Å; H60-Y64 AromaticContact NE2-CE2 3.49Å; H60-Y64 WeakPolarHBondContact NE2-CE2 3.47Å; G62-Y64 PolarHBondContact O-N 2.87Å; Y64-G66 VanDerWaalsContact C-N 3.3Å; Y64-G66 PolarHBondContact O-N 2.89Å
65Q50.7Low46.3Very low157 Ų157129.8 Ų129.873%0.73474%0.742SS**  trans-67.291.7171.2-32.3-60.31.300107.2G63 L67G63-Q65 VanDerWaalsContact C-N 3.32Å; G63-Q65 PolarHBondContact O-N 2.85Å; G63-Q65 PolarHBondContact O-NE2 2.87Å; Q65-L67 PolarHBondContact O-N 3.04Å
66G46.1Very low45.5Very low60 Ų60128.9 Ų128.962%0.61974%0.739SS**  trans-67.496.4179.800000110.4Y64 L68Y64-G66 VanDerWaalsContact C-N 3.3Å; Y64-G66 PolarHBondContact O-N 2.89Å; G66-L68 PolarHBondContact O-N 3.05Å
67L55.5Low45.2Very low164 Ų164125.4 Ų125.486%0.85974%0.743SS**  trans-70.764.4170.9-71.9178.4000110.8Q65 A69Q65-L67 PolarHBondContact O-N 3.04Å; L67-A69 PolarHBondContact O-N 2.75Å
68L54.8Low44.7Very low147 Ų147125.6 Ų125.677%0.7775%0.747SS**  trans-76.357.8168.7-67.5176.3000110.1G66 I70G66-L68 PolarHBondContact O-N 3.05Å; L68-I70 PolarHBondContact O-N 2.87Å
69A50.7Low44Very low85 Ų85122.7 Ų122.770%0.70274%0.744SS**  trans-73.860.7169.200000110.2L67 V71L67-A69 PolarHBondContact O-N 2.75Å; A69-V71 PolarHBondContact O-N 2.98Å
70I44.7Very low43.2Very low143 Ų143121 Ų12173%0.73374%0.74SS**  trans-75.592.6174.1-58.2-179.7000107.4L68 K72L68-I70 PolarHBondContact O-N 2.87Å; I70-K72 PolarHBondContact O-N 3.1Å
71V44.1Very low42.5Very low130 Ų130125 Ų12579%0.78876%0.756SS**  trans-62.5105.3176.1176.50000109.3A69 S73A69-V71 PolarHBondContact O-N 2.98Å; V71-S73 PolarHBondContact O-N 3.29Å
72K41.6Very low41.6Very low201 Ų201122 Ų12287%0.87475%0.751SS**  trans-90.991.5167.2-173-177.5178.567.40109.1I70I70-K72 PolarHBondContact O-N 3.1Å
73S32.8Very low40.8Very low101 Ų101128.1 Ų128.171%0.70676%0.761SS**  trans-132137164.2-166.40000110.1V71V71-S73 PolarHBondContact O-N 3.29Å
74S36.2Very low40.2Very low107 Ų107130.8 Ų130.875%0.74877%0.771SS**  trans-85.7136.2178.7-59.50000110.4
75S34.8Very low40.2Very low118 Ų118131.3 Ų131.383%0.82578%0.777SS**  trans-143.1111160.9-70.30000108.7
76S36Very low39.9Very low111 Ų111127.7 Ų127.778%0.77678%0.782SS**  trans-79.1155.7172.3-58.60000110.4
77S36.5Very low39.9Very low120 Ų120130.7 Ų130.784%0.83979%0.788SS**  trans73.7150157.7850000120.7
78S35.2Very low39.5Very low107 Ų107131.2 Ų131.275%0.74879%0.791SS**  trans79.8149.2154.8-147.90000121.1
79S32.9Very low39.2Very low95 Ų95133.2 Ų133.266%0.66479%0.793SS**  trans50.6108.4166.249.60000118.6
80T34.9Very low39.2Very low122 Ų122136 Ų13675%0.74880%0.796SS**  69.8114.162.9700000116.7
81F33.6Very low39.7Very low208 Ų208134 Ų13491%0.91280%0.796SS**  trans56.991.4153.9-65.2-69.6000121.5
82G32.2Very low40.3Very low66 Ų66135 Ų13568%0.6879%0.792SS**  98.3157.4117.100000120.4
83H31.8Very low41Very low194 Ų194129 Ų12990%0.89879%0.787SS**  trans67.3154.5170.7-59.596.7000116
84S35.9Very low41.8Very low114 Ų114135.9 Ų135.980%0.79780%0.797SS**  cis-148169.72.434.80000113.7
85K44.2Very low42.3Very low208 Ų208141 Ų14190%0.90480%0.8SS**  trans-40.5150.4177.2-57.2165.7-179.6172.10116.9
86G43.4Very low42.6Very low81 Ų81142.1 Ų142.184%0.83580%0.802SS**  trans-151.576.4163.900000112.8
87V46.8Very low43.1Very low122 Ų122144.5 Ų144.574%0.73980%0.799SS**  trans-92.3124.3176.81740000110
88L45.5Very low43.3Very low176 Ų176146.8 Ų146.892%0.92180%0.8SS**  trans-124.3116.5163.6-72173.9000109.6
89K48.7Very low43.2Very low188 Ų188146.6 Ų146.682%0.81780%0.799SS**  trans-86.2156.1166.8-75-179.7174.2179.90109.4
90N51.9Low43.7Very low143 Ų143147.5 Ų147.577%0.76580%0.802SS**  trans-74.2154.1164.853.9-16.6000111.8
91S54.6Low43.9Very low103 Ų103146 Ų14672%0.7280%0.802SS**SBendtrans-77.9-40.5-16827.20000115.2G93S91-G93 VanDerWaalsContact C-N 3.34Å; S91-G93 PolarHBondContact O-N 2.79Å
92E56.2Low44.4Very low151 Ų151144.7 Ų144.771%0.70680%0.799SS**  trans-74.6-10.9-161.3-88.952.2-12900116.7R94E92-R94 VanDerWaalsContact C-N 3.26Å; E92-R94 PolarHBondContact O-N 3.08Å
93G56.8Low44.7Very low75 Ų75148.9 Ų148.977%0.77380%0.804SS**  trans55.918.2158.700000119.3S91S91-G93 VanDerWaalsContact C-N 3.34Å; S91-G93 PolarHBondContact O-N 2.79Å
94R49.8Very low44.9Very low244 Ų244144.3 Ų144.392%0.92180%0.8SS**  trans-119.8151.9-177.8-70.2-168.8-179.1-152.21114.2E92E92-R94 VanDerWaalsContact C-N 3.26Å; E92-R94 PolarHBondContact O-N 3.08Å
95R45.9Very low45Very low216 Ų216145.8 Ų145.882%0.81580%0.804SS**  trans-122.9115.7-167.7165.4-177169.8-98.311.1109.9
96T40.9Very low44.6Very low140 Ų140140.1 Ų140.186%0.85980%0.795SS**  trans-121.6142.8169.8-49.30000109.2
97K46.6Very low44.7Very low162 Ų162141.4 Ų141.470%0.70479%0.789SS**  trans-113.5174.7-177.9-92.5-83-171.7173.70109.6
98L42.2Very low44Very low167 Ų167145.9 Ų145.987%0.87479%0.794SS**  trans75.2139176-40.2178.7000112.7
99S32Very low44Very low104 Ų104143.2 Ų143.273%0.72779%0.787SS**  cis-148.9145.9-4.5-167.80000110.7
100P43.2Very low43.9Very low113 Ų113139.6 Ų139.673%0.73478%0.783SS**  trans-78.9116.5167.7-422.4000110.4
101A39.3Very low43.6Very low90 Ų90138.9 Ų138.974%0.74479%0.786SS**  trans-96.5116.2170.700000110I103A101-I103 PolarHBondContact O-N 2.86Å
102H43.6Very low42.7Very low181 Ų181141.1 Ų141.184%0.83879%0.79SS**  trans-78.1113.7174.9-60.8159.8000110.9
103I38.8Very low41.5Very low155 Ų155139.8 Ų139.880%0.79580%0.798SS**  trans-127.5104147.9-68.889.4000107.1A101A101-I103 PolarHBondContact O-N 2.86Å
104A36.6Very low40.4Very low98 Ų98142 Ų14281%0.8180%0.801SS**  trans-139105.1169.100000107.2
105V38.8Very low39.9Very low145 Ų145136.6 Ų136.688%0.87980%0.796SS**  trans-123.9110.8175178.70000107.5
106A34.5Very low39.4Very low88 Ų88134.4 Ų134.473%0.72780%0.799SS**  trans-137169.1-178.300000107.1
107P45.4Very low39Very low108 Ų108132.4 Ų132.470%0.70180%0.797SS**  trans-97174.1-135.10.719.4000116
108Y32.5Very low38.4Very low217 Ų217131 Ų13185%0.85181%0.808SS**  trans78.2133.9172.7-55.4-80.9000117.3
109P46.5Very low37.9Very low119 Ų119128 Ų12877%0.77380%0.8SS**PPolyproline II helixtrans-83.4140.3164.633.9-31.7000111.1
110P46.4Very low38Very low112 Ų112132.5 Ų132.573%0.72781%0.81SS**PPolyproline II helixtrans-81.6155174.933.4-34.9000112.4
111P45.4Very low37.6Very low129 Ų129130.3 Ų130.384%0.83881%0.807SS**PPolyproline II helixtrans-82.3143.617633.7-34.4000112.3
112N35.8Very low37.5Very low149 Ų149135.1 Ų135.180%0.79781%0.814SS**  trans-131.298.4174.559.5-27.5000112.4
113S31Very low37.2Very low124 Ų124133.4 Ų133.487%0.86781%0.808SS**  trans-68130.9164.7-60.10000110.3
114S33.6Very low37Very low121 Ų121132.2 Ų132.285%0.84681%0.808SS**  trans-151.9125.9160.9-77.80000109.9
115T38.3Very low36.8Very low131 Ų131136.7 Ų136.780%0.80481%0.805SS**  trans-96.1145179.342.70000110.5
116L35.7Very low36.6Very low169 Ų169138.9 Ų138.989%0.88581%0.806SS**  trans141.4134.7140.6-75164.8000114
117A33Very low36.5Very low98 Ų98140.9 Ų140.981%0.8181%0.814SS**  trans43.1108.3149.400000121.4
118S34.7Very low35.8Very low134 Ų134139 Ų13994%0.93781%0.814SS**  -155.6158.4117.5-164.70000110.5
119S31.4Very low36.5Very low102 Ų102134.9 Ų134.971%0.71381%0.814SS**  trans-136.5112.6-160.658.60000116
120H34.1Very low35.8Very low200 Ų200135.3 Ų135.393%0.92682%0.82SS**  trans-158140.1154.6-111.149.1000106
121G33.5Very low35Very low66 Ų66138.9 Ų138.968%0.6882%0.824SS**  cis98119.346.600000107.4
122Q38.8Very low35Very low192 Ų192137.3 Ų137.390%0.89781%0.814SS**  cis-146.817114.1-99.6-84.6-35.100110.8
123M36.5Very low35.3Very low144 Ų144136.3 Ų136.371%0.70982%0.816SS**  trans-92147.4171.6-69.3-175.5-179.800112.1Y125M123-Y125 HydrophobicContact SD-CD2 4.41Å; M123-Y125 HydrophobicContact SD-CE2 4.09Å
124V34.3Very low35.1Very low130 Ų130139.6 Ų139.679%0.78882%0.817SS**  trans-142.7129.3139.2-1790000108.8
125Y33Very low35.1Very low192 Ų192137.5 Ų137.575%0.75382%0.815SS**  trans-111135.4166.7-75.3-94000109.1M123M123-Y125 HydrophobicContact SD-CD2 4.41Å; M123-Y125 HydrophobicContact SD-CE2 4.09Å
126H34.3Very low34.7Very low192 Ų192137.6 Ų137.689%0.88982%0.821SS**  trans-143.8156.7154.1-81.4-62.1000111.2
127S31.9Very low34.4Very low129 Ų129132.6 Ų132.690%0.90281%0.81SS**  trans-138.3147.3-171.3176.40000109.4
128G31.8Very low34.3Very low69 Ų69137.1 Ų137.171%0.71181%0.814SS**  trans146.9143.3170.200000115
129P47.8Very low34.1Very low131 Ų131136.6 Ų136.685%0.85181%0.81SS**  trans-114.3163.5-176.740.9-32.6000114.8
130S30.5Very low34.2Very low127 Ų127138 Ų13889%0.88881%0.814SS**  trans-160.4153.7161.9-169.90000113.5
131K30.8Very low34.8Very low188 Ų188133.7 Ų133.782%0.81780%0.804SS**  trans-175.8153.4179.4177.7-174.6177.1-168.30108.8
132P45.1Very low35.6Very low96 Ų96136 Ų13662%0.62381%0.807SS**  cis-116.8-155.3-28.338.8-21.4000110.5
133P40.5Very low35.3Very low128 Ų128134.4 Ų134.483%0.83180%0.804SS**  -134.4179.4119.538.6-29.8000114.4
134E28.7Very low35.1Very low192 Ų192132.9 Ų132.990%0.89780%0.803SS**  trans-116.4162-171.8-62.7-176.4107.200114.9
135G31.7Very low35.2Very low77 Ų77132.8 Ų132.879%0.79480%0.803SS**  trans86.6159.2157.200000117.2
136S30Very low35.3Very low134 Ų134130.5 Ų130.594%0.93781%0.809SS**  cis-165.9157.6-17.2570000109.6
137G29.9Very low35.4Very low63 Ų63126.1 Ų126.165%0.64981%0.805SS**  trans140.5107.4160.400000119.6
138H32.1Very low35.6Very low194 Ų194123.4 Ų123.490%0.89880%0.798SS**  trans46.5129.6137.7-57.4-80.7000124.3
139S30.6Very low36Very low122 Ų122125.9 Ų125.985%0.85381%0.805SS**  trans93.4129.6141.4-146.10000120.8
140V33.3Very low35.5Very low131 Ų131125.7 Ų125.779%0.79480%0.801SS**  trans-157.8147.2-1771600000103.8
141P45.8Very low36Very low111 Ų111126.1 Ų126.172%0.72179%0.791SS**  cis-134.3-148.421.737.7-13.4000111.9
142P50.7Low36.4Very low115 Ų115122.1 Ų122.175%0.74779%0.785SS**  cis-132.8161.5-18.624.7-1.2000117.6
143N31.5Very low36.4Very low157 Ų157123.9 Ų123.984%0.8479%0.794SS**  trans84.5154.9145.1-141.3-2.6000122.3
144V32Very low36.3Very low113 Ų113123.9 Ų123.969%0.68579%0.791SS**  trans73.989.5167.6-162.90000119.5
145T37.4Very low36.8Very low127 Ų127118.9 Ų118.978%0.77979%0.791SS**  35.3112.3127.3-46.40000121.3
146V35.8Very low37.3Very low145 Ų145118.6 Ų118.688%0.87979%0.788SS**  trans-138.2141.6135.6179.40000108.6
147A35.7Very low37.9Very low99 Ų99124.2 Ų124.282%0.81879%0.789SS**  trans-88.2135.3176.700000111.8
148G34.9Very low38.1Very low72 Ų72124.7 Ų124.774%0.74279%0.794SS**  trans-140.892.8177.900000111.8V150G148-V150 PolarHBondContact O-N 3.23Å
149S40.8Very low38.2Very low122 Ų122123.8 Ų123.885%0.85380%0.795SS**  trans-77.1105.9175-174.60000110.1
150V37.5Very low38.6Very low127 Ų127123.7 Ų123.777%0.7779%0.794SS**  trans-130.3120.3172.9-177.30000108.7G148 P152G148-V150 PolarHBondContact O-N 3.23Å; V150-P152 WeakPolarHBondContact O-CD 3.28Å
151I42.2Very low39Very low135 Ų135124.4 Ų124.469%0.69279%0.793SS**  trans-93.3114.6178.8-56.7171.2000108.8V153I151-V153 HydrophobicContact CG2-CG2 3.83Å; I151-V153 PolarHBondContact O-N 2.81Å
152P39Very low38.8Very low104 Ų104125.2 Ų125.268%0.67580%0.798SS**  trans-77.7100.4165.230.8-31.3000109.6V150 T154V150-P152 WeakPolarHBondContact O-CD 3.28Å; P152-T154 VanDerWaalsContact C-N 3.3Å; P152-T154 PolarHBondContact O-N 3.49Å
153V44.9Very low38.5Very low134 Ų134123.8 Ų123.881%0.81280%0.796SS**  trans-80.381.5169.2-177.40000109.3I151I151-V153 HydrophobicContact CG2-CG2 3.83Å; I151-V153 PolarHBondContact O-N 2.81Å
154T37Very low39.2Very low127 Ų127124.3 Ų124.378%0.77979%0.793SS**  trans-145.5126.1166.615.60000109P152P152-T154 VanDerWaalsContact C-N 3.3Å; P152-T154 PolarHBondContact O-N 3.49Å
155G39.8Very low39.7Very low87 Ų87123.4 Ų123.490%0.89779%0.792SS**  trans-89.1153.4-164.800000115.2
156G42Very low40.6Very low71 Ų71125 Ų12573%0.73280%0.796SS**  trans145.2125.716100000115.2
157R42.3Very low41.8Very low253 Ų253124.6 Ų124.696%0.95579%0.788SS**SBendtrans71121.9168.1-52.3178.5-175.5-90.8-1.4117.4
158G35.7Very low43.7Very low73 Ų73123.2 Ų123.275%0.75377%0.771SS**  trans63.696.3139.400000118.5S160G158-S160 PolarHBondContact O-N 2.92Å; G158-S160 VanDerWaalsContact O-N 3.11Å
159L33.4Very low46Very low174 Ų174123.3 Ų123.391%0.91176%0.76SS**  trans-63.5109.6154.2-74.6170000108.9L161L159-L161 VanDerWaalsContact C-N 3.3Å; L159-L161 PolarHBondContact O-N 3.22Å
160S37.8Very low48.1Very low120 Ų120123.6 Ų123.684%0.83975%0.751SS**  trans-72.784.617358.20000110.2G158G158-S160 PolarHBondContact O-N 2.92Å; G158-S160 VanDerWaalsContact O-N 3.11Å
161L42.7Very low50.3Low146 Ų146125.1 Ų125.176%0.76475%0.749SS**PPolyproline II helixtrans-54.3146.3158.2-69.6168.2000109.2L159 A163L159-L161 VanDerWaalsContact C-N 3.3Å; L159-L161 PolarHBondContact O-N 3.22Å; L161-A163 PolarHBondContact O-N 3.19Å; L161-A163 VanDerWaalsContact O-N 3.1Å
162P41.7Very low52.2Low128 Ų128121.5 Ų121.583%0.83174%0.736SS**PPolyproline II helixtrans-57.1120.4174.724.4-33.3000109.4
163A44.7Very low54.7Low86 Ų86119.8 Ų119.871%0.71172%0.72SS**PPolyproline II helixtrans-73.7150.9-169.700000112.1L161L161-A163 PolarHBondContact O-N 3.19Å; L161-A163 VanDerWaalsContact O-N 3.1Å
164Q45.5Very low56.8Low168 Ų168117.8 Ų117.879%0.78570%0.704SS**  trans62.287.1169.9-53.6-59-32.100115.4N166Q164-N166 PolarHBondContact O-N 3.39Å; Q164-N166 VanDerWaalsContact O-N 3.08Å
165S42.8Very low59.2Low94 Ų94119 Ų11966%0.65770%0.696SS**  trans-55.3110.5143520000108.2L167S165-L167 PolarHBondContact O-N 3.08Å
166N55.5Low61.5Low159 Ų159121 Ų12185%0.8568%0.681SS**  trans-75.769.7-179.5-160.5-71.6000110.4Q164Q164-N166 PolarHBondContact O-N 3.39Å; Q164-N166 VanDerWaalsContact O-N 3.08Å
167L62.6Low63.6Low137 Ų137122.6 Ų122.672%0.71767%0.672SS**SBendtrans-128.1128.4174.3-68.4173.5000106.8S165 S169S165-L167 PolarHBondContact O-N 3.08Å; L167-S169 PolarHBondContact O-N 3.37Å
168P74.5Confident65.5Low70 Ų70115.2 Ų115.246%0.45565%0.652SS.*  trans-59.6132.4176.123.3-31.1000109.6I173P168-I173 HydrophobicContact CB-CG1 3.91Å; P168-I173 HydrophobicContact CG-CD1 4.06Å; P168-I173 HydrophobicContact CG-CG1 3.75Å; P168-I173 WeakPolarHBondContact O-CD1 3.29Å
169S83.1Confident67.8Low74 Ų74115.9 Ų115.952%0.51764%0.635SS.*  trans-53.1146176.5172.60000110.5L167 Q171 S172 I173L167-S169 PolarHBondContact O-N 3.37Å; S169-Q171 PolarHBondContact O-N 2.97Å; S169-Q171 VanDerWaalsContact O-N 3.07Å; S169-S172 CarbonylContact O-C 3.26Å; S169-S172 WeakPolarHBondContact O-CA 3.33Å; S169-S172 VanDerWaalsContact O-CB 3.28Å; S169-S172 WeakPolarHBondContact O-CB 3.45Å; S169-S172 PolarHBondContact O-N 3.27Å; S169-I173 PolarHBondContact O-N 3.43Å
170I85.6Confident69.5Low129 Ų129113.2 Ų113.266%0.66262%0.618SS**Hα-helixtrans-52.1-36.8179-62.2171.8000111.1I173 I174I170-I173 PolarHBondContact O-N 3.27Å; I170-I174 HydrophobicContact CG2-CD1 3.79Å; I170-I174 HydrophobicContact CG2-CG1 4.44Å; I170-I174 WeakPolarHBondContact O-CB 3.34Å; I170-I174 VanDerWaalsContact O-CG1 3.24Å; I170-I174 WeakPolarHBondContact O-CG1 3.21Å; I170-I174 PolarHBondContact O-N 2.88Å
171Q84.4Confident71.1Confident159 Ų159111.1 Ų111.174%0.74360%0.603SS**Hα-helixtrans-66.4-36.9174.7-67.3179.7-12.800113S169 Y175S169-Q171 PolarHBondContact O-N 2.97Å; S169-Q171 VanDerWaalsContact O-N 3.07Å; Q171-Y175 VanDerWaalsContact O-CB 3.29Å; Q171-Y175 WeakPolarHBondContact O-CB 3.24Å; Q171-Y175 PolarHBondContact O-N 3.08Å
172S82.2Confident72.4Confident58 Ų58110.4 Ų110.441%0.40660%0.595SS.*Hα-helixtrans-68.8-42.1175-176.70000111.4S169 Y175 Q176S169-S172 CarbonylContact O-C 3.26Å; S169-S172 WeakPolarHBondContact O-CA 3.33Å; S169-S172 VanDerWaalsContact O-CB 3.28Å; S169-S172 WeakPolarHBondContact O-CB 3.45Å; S169-S172 PolarHBondContact O-N 3.27Å; S172-Y175 PolarHBondContact O-N 2.93Å; S172-Q176 VanDerWaalsContact O-CB 3.26Å; S172-Q176 WeakPolarHBondContact O-CB 3.37Å; S172-Q176 PolarHBondContact O-N 2.94Å
173I90.3Very high73.2Confident68 Ų68106.6 Ų106.635%0.34958%0.575SS.*Hα-helixtrans-60.5-50174.4-61.2172.6000110.3P168 S169 I170 Y175 Q176 I177P168-I173 HydrophobicContact CB-CG1 3.91Å; P168-I173 HydrophobicContact CG-CD1 4.06Å; P168-I173 HydrophobicContact CG-CG1 3.75Å; P168-I173 WeakPolarHBondContact O-CD1 3.29Å; S169-I173 PolarHBondContact O-N 3.43Å; I170-I173 PolarHBondContact O-N 3.27Å; I173-Y175 VanDerWaalsContact C-N 3.35Å; I173-Y175 PolarHBondContact O-N 2.84Å; I173-Q176 PolarHBondContact O-N 3.07Å; I173-I177 HydrophobicContact CG2-CD1 3.71Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CB 3.25Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.26Å; I173-I177 PolarHBondContact O-N 2.95Å
174I90Very high73.8Confident93 Ų93107.5 Ų107.548%0.47756%0.564SS.*Hα-helixtrans-60.4-44.5178.8-70.1167.7000110.8I170 I177 N178I170-I174 HydrophobicContact CG2-CD1 3.79Å; I170-I174 HydrophobicContact CG2-CG1 4.44Å; I170-I174 WeakPolarHBondContact O-CB 3.34Å; I170-I174 VanDerWaalsContact O-CG1 3.24Å; I170-I174 WeakPolarHBondContact O-CG1 3.21Å; I170-I174 PolarHBondContact O-N 2.88Å; I174-I177 PolarHBondContact O-N 3.13Å; I174-N178 PolarHBondContact O-N 3.32Å; I174-N178 PolarHBondContact O-ND2 2.75Å
175Y87.1Confident74.4Confident152 Ų152102.1 Ų102.160%0.59655%0.548SS*.Hα-helixtrans-61.2-47.3176.6-178-105.4000111.7Q171 S172 I173 I177 N178 Q179Q171-Y175 VanDerWaalsContact O-CB 3.29Å; Q171-Y175 WeakPolarHBondContact O-CB 3.24Å; Q171-Y175 PolarHBondContact O-N 3.08Å; S172-Y175 PolarHBondContact O-N 2.93Å; I173-Y175 VanDerWaalsContact C-N 3.35Å; I173-Y175 PolarHBondContact O-N 2.84Å; Y175-I177 PolarHBondContact O-N 2.85Å; Y175-N178 PolarHBondContact O-N 3.43Å; Y175-Q179 HydrophobicContact CD1-CG 4.24Å; Y175-Q179 HydrophobicContact CE1-CG 3.88Å; Y175-Q179 HydrophobicContact CE2-CG 4.2Å; Y175-Q179 WeakPolarHBondContact O-CG 3.39Å; Y175-Q179 PolarHBondContact O-N 2.78Å; Y175-Q179 PolarHBondContact OH-NE2 3.07Å
176Q88.1Confident75Confident128 Ų128103.2 Ų103.260%0.59855%0.546SS*.Hα-helixtrans-63.9-38-179.5-166.3171.417.300112.6S172 I173 H180S172-Q176 VanDerWaalsContact O-CB 3.26Å; S172-Q176 WeakPolarHBondContact O-CB 3.37Å; S172-Q176 PolarHBondContact O-N 2.94Å; I173-Q176 PolarHBondContact O-N 3.07Å; Q176-H180 PolarHBondContact O-N 3.29Å
177I85.2Confident75Confident106 Ų106101.6 Ų101.654%0.54453%0.533SS..Hα-helixtrans-65.6-43.8173.3-69.8170.3000111.3I173 I174 Y175 H180 C181I173-I177 HydrophobicContact CG2-CD1 3.71Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CB 3.25Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.26Å; I173-I177 PolarHBondContact O-N 2.95Å; I174-I177 PolarHBondContact O-N 3.13Å; Y175-I177 PolarHBondContact O-N 2.85Å; I177-H180 PolarHBondContact O-N 2.91Å; I177-C181 WeakPolarHBondContact O-CB 3.38Å; I177-C181 PolarHBondContact O-N 2.95Å
178N83.3Confident74.4Confident97 Ų97102.9 Ų102.952%0.51954%0.536SS..Hα-helixtrans-63.1-43.7177.9-83.3-85.8000111.7I174 Y175 H180 C181 Q182I174-N178 PolarHBondContact O-N 3.32Å; I174-N178 PolarHBondContact O-ND2 2.75Å; Y175-N178 PolarHBondContact O-N 3.43Å; N178-H180 VanDerWaalsContact C-N 3.33Å; N178-H180 PolarHBondContact O-N 3.33Å; N178-C181 PolarHBondContact O-N 3.48Å; N178-Q182 WeakPolarHBondContact O-CB 3.5Å; N178-Q182 PolarHBondContact O-N 3.03Å
179Q82.8Confident73.1Confident88 Ų88105.5 Ų105.541%0.41155%0.55SS.*Hα-helixtrans-61.7-39.4175.6-65.9-65.584.600112Y175 A183Y175-Q179 HydrophobicContact CD1-CG 4.24Å; Y175-Q179 HydrophobicContact CE1-CG 3.88Å; Y175-Q179 HydrophobicContact CE2-CG 4.2Å; Y175-Q179 WeakPolarHBondContact O-CG 3.39Å; Y175-Q179 PolarHBondContact O-N 2.78Å; Y175-Q179 PolarHBondContact OH-NE2 3.07Å; Q179-A183 WeakPolarHBondContact O-CB 3.31Å; Q179-A183 PolarHBondContact O-N 3.08Å; Q179-A183 VanDerWaalsContact O-N 3.08Å
180H69.9Low71.3Confident117 Ų117105.9 Ų105.954%0.54255%0.552SS.*Hα-helixtrans-67.8-45.3176.6-168.274000112.3Q176 I177 N178 Q182 A183 Q184Q176-H180 PolarHBondContact O-N 3.29Å; I177-H180 PolarHBondContact O-N 2.91Å; N178-H180 VanDerWaalsContact C-N 3.33Å; N178-H180 PolarHBondContact O-N 3.33Å; H180-Q182 PolarHBondContact O-N 2.94Å; H180-A183 PolarHBondContact O-N 3.28Å; H180-Q184 PolarHBondContact NE2-NE2 2.96Å; H180-Q184 WeakPolarHBondContact O-CG 3.36Å; H180-Q184 PolarHBondContact O-N 2.91Å
181C71.1Confident69.4Low77 Ų77107.7 Ų107.752%0.5256%0.558SS.*Hα-helixtrans-60.5-44.5177.8-171.20000111.6I177 N178 A183 Q184 A185I177-C181 WeakPolarHBondContact O-CB 3.38Å; I177-C181 PolarHBondContact O-N 2.95Å; N178-C181 PolarHBondContact O-N 3.48Å; C181-A183 PolarHBondContact O-N 2.92Å; C181-Q184 PolarHBondContact O-N 3.43Å; C181-A185 PolarHBondContact O-N 2.8Å
182Q69.9Low67.7Low131 Ų131103.7 Ų103.761%0.61256%0.559SS**Hα-helixtrans-65.3-37177-168.4170.770.800112.2N178 H180 L186N178-Q182 WeakPolarHBondContact O-CB 3.5Å; N178-Q182 PolarHBondContact O-N 3.03Å; H180-Q182 PolarHBondContact O-N 2.94Å; Q182-L186 PolarHBondContact O-N 3.4Å
183A59.7Low65.5Low48 Ų48105.3 Ų105.340%0.39758%0.576SS.*Hα-helixtrans-70.1-30.5175.200000113.8Q179 H180 C181 Q187Q179-A183 WeakPolarHBondContact O-CB 3.31Å; Q179-A183 PolarHBondContact O-N 3.08Å; Q179-A183 VanDerWaalsContact O-N 3.08Å; H180-A183 PolarHBondContact O-N 3.28Å; C181-A183 PolarHBondContact O-N 2.92Å; A183-Q187 WeakPolarHBondContact O-CG 3.34Å; A183-Q187 PolarHBondContact O-N 3.28Å; A183-Q187 PolarHBondContact O-NE2 3.42Å
184Q56.8Low63.2Low105 Ų105107.4 Ų107.449%0.49160%0.597SS.*Hα-helixtrans-74.5-44.7173.9-74.6-178.5-43.200111.9H180 C181 L186 Q187 Q188H180-Q184 PolarHBondContact NE2-NE2 2.96Å; H180-Q184 WeakPolarHBondContact O-CG 3.36Å; H180-Q184 PolarHBondContact O-N 2.91Å; C181-Q184 PolarHBondContact O-N 3.43Å; Q184-L186 VanDerWaalsContact C-N 3.29Å; Q184-L186 PolarHBondContact O-N 3.47Å; Q184-Q187 PolarHBondContact O-N 3.43Å; Q184-Q187 VanDerWaalsContact O-N 3.11Å; Q184-Q188 PolarHBondContact O-N 2.89Å; Q184-Q188 VanDerWaalsContact O-N 3.11Å
185A57.2Low60.8Low55 Ų55109.8 Ų109.846%0.45562%0.616SS.*Hα-helixtrans-57.4-41.717800000112.2C181 Q187 Q188 V189C181-A185 PolarHBondContact O-N 2.8Å; A185-Q187 VanDerWaalsContact C-N 3.35Å; A185-Q187 PolarHBondContact O-N 2.95Å; A185-Q188 PolarHBondContact O-N 2.86Å; A185-V189 PolarHBondContact O-N 3.21Å
186L56.5Low58.7Low117 Ų117106.9 Ų106.961%0.61362%0.624SS**Hα-helixtrans-70.1-30.8179.1-144.8155.3000112.3Q182 Q184Q182-L186 PolarHBondContact O-N 3.4Å; Q184-L186 VanDerWaalsContact C-N 3.29Å; Q184-L186 PolarHBondContact O-N 3.47Å
187Q54.8Low56.3Low124 Ų124106.6 Ų106.658%0.57963%0.633SS**Hα-helixtrans-75.9-26.7175.9-79.5175.880.300114.2A183 Q184 A185 Q191A183-Q187 WeakPolarHBondContact O-CG 3.34Å; A183-Q187 PolarHBondContact O-N 3.28Å; A183-Q187 PolarHBondContact O-NE2 3.42Å; Q184-Q187 PolarHBondContact O-N 3.43Å; Q184-Q187 VanDerWaalsContact O-N 3.11Å; A185-Q187 VanDerWaalsContact C-N 3.35Å; A185-Q187 PolarHBondContact O-N 2.95Å; Q187-Q191 PolarHBondContact O-NE2 3.44Å
188Q50.7Low54Low164 Ų164107.6 Ų107.677%0.76664%0.644SS**Hα-helixtrans-74.3-33.7174.2-81.2-169.6-40.100113Q184 A185 C190Q184-Q188 PolarHBondContact O-N 2.89Å; Q184-Q188 VanDerWaalsContact O-N 3.11Å; A185-Q188 PolarHBondContact O-N 2.86Å; Q188-C190 PolarHBondContact O-N 3.4Å
189V46.8Very low51.6Low125 Ų125110.8 Ų110.876%0.75866%0.661SS**Hα-helixtrans-74.5-24.7-177175.10000113A185A185-V189 PolarHBondContact O-N 3.21Å
190C45.6Very low49.3Very low82 Ų82112 Ų11255%0.55468%0.679SS**SBendtrans-99-3.5-172.7-65.50000115.9Q188 G192Q188-C190 PolarHBondContact O-N 3.4Å; C190-G192 PolarHBondContact O-N 3.39Å
191Q45.6Very low47.4Very low167 Ų167111.3 Ų111.378%0.7869%0.687SS**THydrogen-bonded Turntrans-81.447178.6-74.4175.977.800112.8Q187Q187-Q191 PolarHBondContact O-NE2 3.44Å
192G47.8Very low45.9Very low76 Ų76113.7 Ų113.778%0.78470%0.702SS**THydrogen-bonded Turntrans-130.2-2-177.900000115.4C190C190-G192 PolarHBondContact O-N 3.39Å
193A36.9Very low44.3Very low92 Ų92112.3 Ų112.376%0.7671%0.707SS**SBendtrans-156.1151172.200000111.3
194S41.6Very low43.2Very low112 Ų112120.3 Ų120.378%0.78373%0.733SS**  trans-83.1134.2-176.8570000113.6
195T39.1Very low42.5Very low142 Ų142124.2 Ų124.287%0.87175%0.751SS**  -162.6145.1129.111.50000109.5
196A43.8Very low41.2Very low92 Ų92127.9 Ų127.976%0.7677%0.768SS**  trans-88.6130.1-171.200000112.5T198A196-T198 PolarHBondContact O-N 2.96Å
197P38.3Very low40Very low121 Ų121128.2 Ų128.279%0.78678%0.775SS**  trans-79.3113.6163.430.8-30.2000109.8N199P197-N199 PolarHBondContact O-N 3Å
198T36.2Very low39.1Very low128 Ų128126.5 Ų126.579%0.78578%0.781SS**  trans-67.3120.2171.846.20000110.2A196 S200A196-T198 PolarHBondContact O-N 2.96Å; T198-S200 PolarHBondContact O-N 3.26Å
199N32.2Very low38.2Very low163 Ų163125.5 Ų125.587%0.87279%0.786SS**  trans-77.9103.8-177.2-129-45.9000110.8P197 S201P197-N199 PolarHBondContact O-N 3Å; N199-S201 PolarHBondContact O-N 2.79Å
200S35.2Very low37.7Very low113 Ų113128.9 Ų128.979%0.7980%0.796SS**  trans-74.2100.6179.1-61.90000111.4T198T198-S200 PolarHBondContact O-N 3.26Å
201S29Very low37.1Very low103 Ų103128.7 Ų128.772%0.7281%0.808SS**  trans-116.9126.9174.7-162.30000111.4N199 S203N199-S201 PolarHBondContact O-N 2.79Å; S201-S203 PolarHBondContact O-N 2.65Å
202P40.7Very low36.8Very low128 Ų128128.2 Ų128.283%0.83182%0.816SS**  trans-97.894.3-163.935.8-35000114.4
203S35.5Very low36.1Very low101 Ų101127.7 Ų127.771%0.70681%0.811SS**  trans-152.890172.9540000116.5S201S201-S203 PolarHBondContact O-N 2.65Å
204K38.1Very low36.1Very low217 Ų217129 Ų12994%0.94381%0.814SS**  trans68.4158.2154.8-59.9-178.9179.5178.70117.9
205Q40.3Very low35.6Very low186 Ų186129.2 Ų129.287%0.86982%0.816SS**  trans-93.7156.2-164.5-59.9162.3-29.200112.9
206V30.2Very low35.7Very low133 Ų133127.7 Ų127.781%0.80681%0.811SS**  170.7124.1120.5153.40000112.9
207T32.1Very low35.5Very low124 Ų124129.1 Ų129.176%0.76182%0.815SS**  trans39.8116.5146.8-50.30000124.3
208A35.7Very low35.3Very low87 Ų87126.9 Ų126.972%0.71982%0.815SS**  trans35.8153.813300000122.6
209V32.5Very low35.3Very low144 Ų144125.1 Ų125.187%0.87382%0.821SS**  cis-154-174.745-72.40000114.4
210M34.9Very low35.4Very low196 Ų196120.9 Ų120.997%0.96682%0.816SS**  trans-90.2169.9-173.1-55.4174.2175.300116.1
211G33.8Very low35.3Very low78 Ų78125.9 Ų125.980%0.80482%0.819SS**  trans178.1116.515700000118.7
212V38.2Very low35.5Very low157 Ų157126.9 Ų126.995%0.95282%0.821SS**  trans-67.2171166.6-73.40000113.4
213G33.5Very low35.2Very low65 Ų65127.8 Ų127.867%0.6782%0.824SS**  cis144.8147.6-0.700000113.6
214S36.8Very low35Very low119 Ų119126.5 Ų126.583%0.83283%0.827SS**  trans89.2132.9156.4-51.90000125
215S32.7Very low34.8Very low117 Ų117125.5 Ų125.582%0.81883%0.828SS**  trans63.8159.8136.5-61.20000123.7
216S39.4Very low34.4Very low110 Ų110120 Ų12077%0.76982%0.82SS**  cis-175.7178.4-24.962.70000112.9
217S40.3Very low35.3Very low121 Ų121119.5 Ų119.585%0.84682%0.82SS**  trans75.3154.5165.7-152.60000119.6
218G34.5Very low35.5Very low75 Ų75121.8 Ų121.877%0.77382%0.822SS**  cis128140.3-6.100000114.6
219G35.5Very low35.2Very low90 Ų90121.8 Ų121.893%0.92882%0.822SS**  cis168.3151.2-8.100000114.6
220G34.4Very low35.1Very low74 Ų74121.7 Ų121.776%0.76382%0.817SS**  trans141.6166.9177.500000114.9
221Y33.1Very low35.1Very low219 Ų219120.3 Ų120.386%0.85981%0.81SS**  cis-165.6158.8-3.650.4-111.7000115.6
222V32.3Very low35Very low123 Ų123122.5 Ų122.575%0.74581%0.807SS**  trans36.9124.6155.9-60.70000128.5
223V35.4Very low34.6Very low147 Ų147126 Ų12689%0.89181%0.805SS**  68.3129.7124.9179.10000124
224G30.4Very low34.8Very low75 Ų75128.1 Ų128.177%0.77381%0.805SS**  trans-173151.3159.700000113.6
225M34.2Very low34.5Very low196 Ų196126 Ų12697%0.96680%0.803SS**  trans-105.9161.8-175.2-77.5-77.4-168.700114.2
226G31.7Very low34.7Very low69 Ų69126.3 Ų126.371%0.71180%0.804SS**  trans-83.7-149.517200000114.2
227P49.3Very low34.4Very low124 Ų124124.8 Ų124.881%0.80581%0.806SS**  cis-146.7-162.916.544.7-24.3000117.2
228Q36.7Very low34.1Very low172 Ų172127.1 Ų127.180%0.80481%0.808SS**  trans96.4139.1147-88.1-77.618.800123.6
229A29.5Very low35Very low87 Ų87129.4 Ų129.472%0.71981%0.809SS**  trans64.3154.5155.900000122.7
230N30.4Very low34.8Very low141 Ų141129.9 Ų129.975%0.75480%0.804SS**  cis-172132.5-35.9-17821.2000110
231M35Very low34.8Very low167 Ų167135.7 Ų135.782%0.82381%0.812SS**  trans149.8153.7133.1-80.6-150.2-6900114.3
232V31.8Very low34.5Very low124 Ų124131.5 Ų131.575%0.75281%0.814SS**  trans-133.9149.1-175.7166.90000108.8T234V232-T234 HydrophobicContact CG1-CG2 4.22Å
233Y29.9Very low34.6Very low231 Ų231129.7 Ų129.791%0.90681%0.812SS**  trans-137149.8154.1-151.7-94000110.8
234T37.9Very low34.3Very low110 Ų110131.5 Ų131.568%0.67581%0.811SS**  trans-115.2161.8-168.9430000112.6V232V232-T234 HydrophobicContact CG1-CG2 4.22Å
235G30.2Very low34.4Very low75 Ų75134.3 Ų134.377%0.77381%0.813SS**  trans-154.2133.4171.800000110.6
236S36.2Very low34.4Very low122 Ų122133.3 Ų133.385%0.85381%0.808SS**  trans-149141-166-55.90000112.9
237G33.4Very low34.4Very low78 Ų78139.7 Ų139.780%0.80482%0.816SS**  trans89.9125.5145.800000119.2
238L35.1Very low33.7Very low171 Ų171138.5 Ų138.590%0.89581%0.811SS**  trans-93.3-165.7157.7-56.4171.7000108.1
239P53.4Low33.5Very low122 Ų122134 Ų13479%0.79281%0.811SS**  cis-137-176.5-8.743.2-26.7000114.6
240A30.1Very low33.9Very low100 Ų100136 Ų13683%0.82681%0.813SS**  trans-166.3166.1147.300000111.8
241Q35.3Very low33.8Very low197 Ų197140 Ų14092%0.92182%0.819SS**  trans-136.7145.6-176.9-50.1178111.500110.6
242S26.2Very low34Very low130 Ų130136.1 Ų136.191%0.90981%0.814SS**  trans-161.6163.2163.3-1640000110.9
243A34.2Very low34.1Very low85 Ų85138 Ų13870%0.70282%0.815SS**  trans-145.6167.4-171.900000114.4
244E30.3Very low35.2Very low186 Ų186128.7 Ų128.787%0.86979%0.789SS**  trans83.9162.7162.3-53.9-140.4128.600121
245V31.5Very low35.9Very low134 Ų134130.4 Ų130.481%0.81279%0.791SS**  trans85.378.4169.1-164.10000118.5
246M33.6Very low36.8Very low174 Ų174132.7 Ų132.786%0.85779%0.786SS**  72.7110116.6-162.181155.400121.1
247K33.1Very low36.9Very low204 Ų204135.2 Ų135.289%0.88778%0.778SS**  -150.5142127.8-159.7164.3-176.6176.10112.5
248S34Very low37.7Very low99 Ų99138.9 Ų138.969%0.69278%0.777SS**  trans-82.2153.1178.8-177.40000112.8
249G31.6Very low38.4Very low78 Ų78137.7 Ų137.780%0.80477%0.771SS**  trans-166.970.1178.100000112.3
250V37.9Very low37.7Very low128 Ų128143 Ų14378%0.77678%0.776SS**  trans-84.1128.9175.9175.10000110.4
251Y29.7Very low38.3Very low224 Ų224147.8 Ų147.888%0.87878%0.78SS**  trans-151.7160.7150.4-124.8-85.9000111.5
252A38.3Very low38.2Very low87 Ų87147.4 Ų147.472%0.71978%0.775SS**  trans-62.6163167.900000110.3
253E33.4Very low38.6Very low164 Ų164145.6 Ų145.677%0.76676%0.763SS**  -164.7157.453.6175.9178.7-170.500111M255E253-M255 HydrophobicContact CG-CB 4.13Å; E253-M255 HydrophobicContact CG-CG 3.66Å; E253-M255 VanDerWaalsContact OE1-CG 3.32Å; E253-M255 WeakPolarHBondContact OE1-CG 3.23Å
254G54.3Low38.6Very low35 Ų35147.9 Ų147.936%0.36177%0.771SS.*  trans-137.796.317100000111.7Y257G254-Y257 PolarHBondContact O-OH 3.18Å; G254-Y257 VanDerWaalsContact O-OH 3.13Å
255M52.4Low38.7Very low145 Ų145147.8 Ų147.871%0.71477%0.77SS**  trans-14628.7-169.5-66.5-65.1171.500113.9E253E253-M255 HydrophobicContact CG-CB 4.13Å; E253-M255 HydrophobicContact CG-CG 3.66Å; E253-M255 VanDerWaalsContact OE1-CG 3.32Å; E253-M255 WeakPolarHBondContact OE1-CG 3.23Å
256D48Very low38.8Very low124 Ų124147.8 Ų147.866%0.66377%0.771SS**  trans-109.6-7.3-166.162.9-52.6000116.4I258D256-I258 VanDerWaalsContact C-N 3.32Å; D256-I258 PolarHBondContact O-N 3.02Å
257Y40Very low38.4Very low175 Ų175145 Ų14569%0.68677%0.767SS**THydrogen-bonded Turntrans-79.53.8-172.623.8-81000116.3G254G254-Y257 PolarHBondContact O-OH 3.18Å; G254-Y257 VanDerWaalsContact O-OH 3.13Å
258I49.8Very low38.6Very low155 Ų155142.4 Ų142.480%0.79576%0.761SS**THydrogen-bonded Turntrans-105.76.4-173.3-51.9-62000113.5D256D256-I258 VanDerWaalsContact C-N 3.32Å; D256-I258 PolarHBondContact O-N 3.02Å
259L49.1Very low38.9Very low145 Ų145143.5 Ų143.576%0.75977%0.766SS**SBendtrans-104.8-12.3-173.5-16453.2000116.3
260W39.7Very low38.9Very low235 Ų235143.7 Ų143.789%0.8977%0.768SS**SBendtrans-98.80.9-169.9-84.5107.6000117.4
261H42.9Very low38.6Very low199 Ų199141.6 Ų141.692%0.92177%0.772SS**  trans-106.277.9172-86.8-78.8000112.4
262K31.6Very low38.6Very low189 Ų189134.5 Ų134.582%0.82277%0.767SS**  trans-143.995.7169.4-165.574.3175.8-64.90110.9
263S35.4Very low38.4Very low93 Ų93138 Ų13865%0.6577%0.772SS**  trans-67.5149.917146.90000111.6E265S263-E265 PolarHBondContact O-N 3.42Å
264P34.2Very low38.3Very low132 Ų132138.7 Ų138.786%0.85778%0.778SS**  trans-76.9113.7172.330.8-32.2000110.4
265E33Very low37.2Very low184 Ų184142 Ų14286%0.8680%0.801SS**PPolyproline II helixtrans-101156163.3-74.6-160.5128.400111.5S263S263-E265 PolarHBondContact O-N 3.42Å
266T32.4Very low36.3Very low134 Ų134139.9 Ų139.982%0.82281%0.807SS**PPolyproline II helixtrans-64.7138.1-168.3-49.50000113.1I268T266-I268 PolarHBondContact O-N 3.05Å
267C26.6Very low35.4Very low115 Ų115142.8 Ų142.878%0.77782%0.817SS**PPolyproline II helixtrans-73.1119.4178.6-166.70000112.2
268I36.3Very low35.1Very low150 Ų150140 Ų14077%0.76982%0.818SS**  trans-132.3124.9162.4-61.4-67.7000107T266T266-I268 PolarHBondContact O-N 3.05Å
269P41.6Very low34.1Very low123 Ų123138.8 Ų138.880%0.79982%0.822SS**  trans-91.3144.6-173.634.3-34.2000113.2
270G30.6Very low33.3Very low82 Ų82137.4 Ų137.485%0.84583%0.825SS**  trans148.159.5157.900000121.1
271G32.2Very low32.8Very low83 Ų83132.3 Ų132.386%0.85683%0.825SS**  trans66.1107.1135.300000123.2
272G29.9Very low32.2Very low75 Ų75128.9 Ų128.977%0.77382%0.824SS**  trans80.4159.3144.600000118.2
273I32.3Very low32.1Very low160 Ų160125 Ų12582%0.82182%0.82SS**  cis-149.7144.6-5.4-2.1173.6000110.7
274M32.7Very low31.9Very low180 Ų180125.6 Ų125.689%0.88783%0.825SS**  trans48.3110.7163.8-67.3-168.8-83.400119.8
275A31.6Very low31.8Very low104 Ų104130.3 Ų130.386%0.8683%0.825SS**PPolyproline II helixtrans-91.2156.3162.300000111.8
276A32.9Very low32Very low101 Ų101127.3 Ų127.384%0.83582%0.822SS**PPolyproline II helixtrans-81.8169.1-177.200000114.1
277Q29.6Very low31.7Very low185 Ų185131 Ų13186%0.86482%0.822SS**PPolyproline II helixtrans-63148.5176.9-81.8-78.1-68.600113.4
278V32.6Very low31.8Very low117 Ų117133.8 Ų133.871%0.70982%0.824SS**PPolyproline II helixtrans-76.4154170.8-74.90000112.3
279S28.8Very low31.8Very low128 Ų128134.5 Ų134.590%0.89583%0.828SS**  trans-157112.8150.6-82.40000110.5
280S32.1Very low31.4Very low116 Ų116134.9 Ų134.981%0.81183%0.828SS**  trans-90.7146.4174.9-54.10000110.9
281S29.8Very low31.4Very low129 Ų129134.9 Ų134.990%0.90282%0.82SS**  trans-160139.3160.5-88.60000111.8
282S29.1Very low31.8Very low126 Ų126136.6 Ų136.688%0.88182%0.819SS**  trans-89.9152.9177.1-53.70000111
283S30.1Very low32.1Very low108 Ų108138.1 Ų138.176%0.75583%0.825SS**  trans160.7155.7132.9-169.90000113.4
284S32Very low32.3Very low106 Ų106136.6 Ų136.674%0.74183%0.828SS**  trans53121.7149.452.10000121.9
285R32.5Very low32.3Very low230 Ų230131.9 Ų131.987%0.86883%0.825SS**  trans-61.3152.7152.5-65.2-176.9178.5-140.40.5109.9
286P35.7Very low32.2Very low122 Ų122131.1 Ų131.179%0.79283%0.828SS**  -144.8-167.36340-19000116.6
287Y27Very low32.1Very low211 Ų211130.2 Ų130.283%0.82783%0.828SS**  trans-57.7155.3-170.7-53.6-91.9000116.6
288H28.3Very low32.2Very low174 Ų174124.5 Ų124.581%0.80682%0.819SS**  trans-137.9137.8137.8-135.8-87.1000111.4
289L36.9Very low32.6Very low164 Ų164127.2 Ų127.286%0.85983%0.829SS**  trans-98.6138.2162.6-79.7163.1000107.6
290T32.3Very low32.7Very low132 Ų132128.4 Ų128.481%0.8183%0.825SS**  trans-142135.9165.8-52.40000108.2
291A31.7Very low32.9Very low82 Ų82132.6 Ų132.668%0.67883%0.829SS**  trans-99.5154.5-171.200000113.2
292S40.6Very low33.1Very low118 Ų118133.1 Ų133.183%0.82583%0.826SS**  trans22.4117.3149.259.60000119.8
293A34.8Very low33.2Very low108 Ų108132.9 Ų132.989%0.89383%0.825SS**  trans-136.5139.9146.800000109.4
294S37.9Very low33.5Very low128 Ų128133.2 Ų133.290%0.89583%0.827SS**  trans-98.7139.4179.847.30000111.7
295G30.9Very low33.5Very low80 Ų80133 Ų13383%0.82583%0.826SS**  trans-176103.8173.500000110
296G30.8Very low33.8Very low88 Ų88128.3 Ų128.391%0.90783%0.825SS**  trans-92.6177.3-170.300000114.6
297G31Very low34.2Very low82 Ų82130.3 Ų130.385%0.84583%0.828SS**  trans151.788.3165.600000116.2
298G30.7Very low34.8Very low66 Ų66126.4 Ų126.468%0.6882%0.821SS**  trans65.2106.4144.400000120.4
299L41.1Very low35.1Very low174 Ų174124.9 Ų124.991%0.91183%0.829SS**  -175.4118.4106.6-100.6166.5000110.8
300D31.9Very low35.3Very low153 Ų153123.5 Ų123.582%0.81883%0.827SS**  trans-94112.4-165.9-33.9-85.5000110.9
301K36.2Very low35.7Very low203 Ų203120.5 Ų120.588%0.88382%0.822SS**  trans-119.486171.7-159.2170.4-173.6177.40110.9S303K301-S303 PolarHBondContact O-N 3.26Å
302V33.5Very low35.9Very low141 Ų141125.4 Ų125.486%0.85583%0.833SS**  trans-56.3132.3177.2-690000111.5
303S31.7Very low36.2Very low121 Ų121127.9 Ų127.985%0.84683%0.831SS**  trans-133.9108.6167.1-170.50000107K301K301-S303 PolarHBondContact O-N 3.26Å
304S35.1Very low36.2Very low114 Ų114125.1 Ų125.180%0.79781%0.813SS**  trans-83.4134.9-164.636.30000113
305S32.8Very low36.3Very low103 Ų103126.2 Ų126.272%0.7281%0.809SS**  trans-62.4134.2170.9-58.70000111.2L307S305-L307 VanDerWaalsContact C-N 3.33Å; S305-L307 PolarHBondContact O-N 2.97Å
306P38.9Very low36.4Very low131 Ų131131 Ų13185%0.85181%0.808SS**SBendtrans-7977.3-179.332.3-35.7000111.7
307L44.3Very low36.8Very low163 Ų163132.5 Ų132.585%0.85380%0.804SS**  trans-136.150176-76179.2000113S305S305-L307 VanDerWaalsContact C-N 3.33Å; S305-L307 PolarHBondContact O-N 2.97Å
308N40.5Very low37.4Very low130 Ų130135.2 Ų135.270%0.69580%0.804SS**  trans-153.2108.6156.5-166-4.7000112.4V310N308-V310 PolarHBondContact OD1-N 3.23Å
309C33.7Very low37.7Very low141 Ų141134.9 Ų134.995%0.95380%0.801SS**  trans-137.267.3166.1-74.80000109.3
310V40.6Very low37.8Very low135 Ų135134.4 Ų134.482%0.81879%0.794SS**  trans-87.1127.6171.6175.10000110.2N308N308-V310 PolarHBondContact OD1-N 3.23Å
311G40.3Very low37.8Very low69 Ų69137.8 Ų137.871%0.71180%0.797SS**  trans87.374155.300000117.6
312M37.7Very low38Very low185 Ų185136 Ų13691%0.91179%0.789SS**  trans-131.6105.6149.5-159.869.972.800108.8G314M312-G314 VanDerWaalsContact C-N 3.33Å; M312-G314 PolarHBondContact O-N 3.47Å
313H45.3Very low38.5Very low171 Ų171132.9 Ų132.979%0.79278%0.778SS**  trans-8372.6-169.9-173.5-73.3000111.8
314G35Very low39Very low49 Ų49131.4 Ų131.451%0.50577%0.766SS.*  trans-94.6115.3172.400000111.8M312 F316M312-G314 VanDerWaalsContact C-N 3.33Å; M312-G314 PolarHBondContact O-N 3.47Å; G314-F316 WeakPolarHBondContact O-CD1 3.35Å; G314-F316 PolarHBondContact O-N 3.05Å; G314-F316 VanDerWaalsContact O-N 3.1Å
315N39.6Very low39.5Very low151 Ų151131.7 Ų131.781%0.80777%0.765SS**  trans-71.999.4169.7-73.5-61.6000109.8
316F34Very low40.1Very low182 Ų182137.6 Ų137.680%0.79877%0.772SS**  trans-104121163.553.5-89.4000109.4G314G314-F316 WeakPolarHBondContact O-CD1 3.35Å; G314-F316 PolarHBondContact O-N 3.05Å; G314-F316 VanDerWaalsContact O-N 3.1Å
317S39.8Very low40.2Very low119 Ų119138.7 Ų138.783%0.83277%0.77SS**  trans-58.8138.3176.2-58.50000110.5G319S317-G319 VanDerWaalsContact C-N 3.26Å; S317-G319 PolarHBondContact O-N 3.44Å
318V41.9Very low40.1Very low138 Ų138136.3 Ų136.384%0.83677%0.767SS**  trans-70.586.4172.1-1790000108.7
319G39Very low40Very low60 Ų60136.2 Ų136.262%0.61977%0.771SS**  trans-59.9133.6164.900000109.2S317 Y321S317-G319 VanDerWaalsContact C-N 3.26Å; S317-G319 PolarHBondContact O-N 3.44Å; G319-Y321 PolarHBondContact O-N 3.08Å
320Q43.2Very low40.4Very low164 Ų164137.3 Ų137.377%0.76677%0.767SS**  trans-62.9107.2178.9-70.6-179.6-43.800109.8F322Q320-F322 HydrophobicContact CB-CD2 4.05Å; Q320-F322 HydrophobicContact CB-CE2 4.16Å; Q320-F322 PolarHBondContact O-N 2.93Å
321Y31.3Very low40.3Very low224 Ų224136.8 Ų136.888%0.87876%0.763SS**  trans-74.481.7173.8-162.8-87.2000109.4G319 A323G319-Y321 PolarHBondContact O-N 3.08Å; Y321-A323 PolarHBondContact O-N 3.47Å
322F39.3Very low40.1Very low164 Ų164138.4 Ų138.472%0.71976%0.759SS**PPolyproline II helixtrans-60.2122.4171.8-95.4-96.2000109.5Q320Q320-F322 HydrophobicContact CB-CD2 4.05Å; Q320-F322 HydrophobicContact CB-CE2 4.16Å; Q320-F322 PolarHBondContact O-N 2.93Å
323A45.1Very low40.4Very low76 Ų76135.3 Ų135.363%0.62875%0.753SS**PPolyproline II helixtrans-64.5137.1166.200000109Y321 P325Y321-A323 PolarHBondContact O-N 3.47Å; A323-P325 WeakPolarHBondContact O-CD 3.48Å
324P41.5Very low39.8Very low90 Ų90134.1 Ų134.158%0.58475%0.753SS**PPolyproline II helixtrans-64.6120.4-179.425.2-33.3000110.2W326P324-W326 PolarHBondContact O-N 3.13Å
325P46.9Very low39.9Very low120 Ų120136.6 Ų136.678%0.77976%0.762SS**  trans-77.888.7-178.231.3-33.8000110.3A323 N327A323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 PolarHBondContact O-N 2.82Å
326W43.7Very low39.6Very low228 Ų228137.6 Ų137.686%0.86477%0.767SS**  trans-73.877.7171.9-77.883.4000111.2P324P324-W326 PolarHBondContact O-N 3.13Å
327N42.6Very low39.5Very low153 Ų153134.2 Ų134.282%0.81877%0.765SS**  trans-168.7160.5152.9-104-48.9000111.4P325P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 PolarHBondContact O-N 2.82Å
328S40.9Very low39.1Very low114 Ų114138.7 Ų138.780%0.79777%0.765SS**  trans70.363.2170.5-52.50000117.4
329V38.1Very low38.7Very low128 Ų128137.8 Ų137.878%0.77676%0.756SS**  trans-108.798.2141.3-178.30000107.8V331V329-V331 HydrophobicContact CG1-CG2 3.9Å; V329-V331 PolarHBondContact O-N 3.21Å
330L43.6Very low38.8Very low164 Ų164140.3 Ų140.386%0.85976%0.761SS**  trans-71.5110.8156-72.8171.9000106.1T332L330-T332 VanDerWaalsContact C-N 3.3Å; L330-T332 PolarHBondContact O-N 3.41Å
331V38.6Very low38.5Very low123 Ų123139 Ų13975%0.74576%0.755SS**  trans-74.591.2172.1179.90000107.5V329 P333V329-V331 HydrophobicContact CG1-CG2 3.9Å; V329-V331 PolarHBondContact O-N 3.21Å; V331-P333 WeakPolarHBondContact O-CD 3.36Å
332T35.2Very low38.5Very low103 Ų103136.2 Ų136.263%0.63275%0.75SS**  trans-58.6127.1158.4-47.70000107.4L330 D334L330-T332 VanDerWaalsContact C-N 3.3Å; L330-T332 PolarHBondContact O-N 3.41Å; T332-D334 VanDerWaalsContact C-N 3.32Å; T332-D334 PolarHBondContact O-N 3.3Å; T332-D334 VanDerWaalsContact O-N 3.13Å
333P43Very low38.2Very low120 Ų120136.8 Ų136.878%0.77976%0.76SS**  trans-8282.6169.332.2-31.5000108.6V331V331-P333 WeakPolarHBondContact O-CD 3.36Å
334D33.8Very low37.6Very low147 Ų147141.4 Ų141.479%0.78677%0.773SS**  trans-68.9137.2166.150.9-37.9000110.6T332T332-D334 VanDerWaalsContact C-N 3.32Å; T332-D334 PolarHBondContact O-N 3.3Å; T332-D334 VanDerWaalsContact O-N 3.13Å
335S36.4Very low37.2Very low100 Ų100139.6 Ų139.670%0.69977%0.771SS**  trans-100.397.3-158.858.10000112.4C337S335-C337 VanDerWaalsContact C-N 3.27Å; S335-C337 PolarHBondContact O-N 3.11Å
336D34.5Very low36.4Very low172 Ų172141 Ų14192%0.9278%0.778SS**  trans-70.982.6167.2-89.4-29.3000111Y338D336-Y338 VanDerWaalsContact C-N 3.34Å; D336-Y338 PolarHBondContact O-N 2.76Å
337C31.7Very low35.7Very low111 Ų111134.9 Ų134.975%0.7577%0.769SS**  trans-7084.6173.3-69.70000110.9S335 N339S335-C337 VanDerWaalsContact C-N 3.27Å; S335-C337 PolarHBondContact O-N 3.11Å; C337-N339 PolarHBondContact O-N 3.38Å; C337-N339 VanDerWaalsContact O-N 3.13Å
338Y30.6Very low35.2Very low214 Ų214133.9 Ų133.984%0.83977%0.769SS**  trans-64.8111.7177.5-165.1-93.2000111.5D336 P340D336-Y338 VanDerWaalsContact C-N 3.34Å; D336-Y338 PolarHBondContact O-N 2.76Å; Y338-P340 WeakPolarHBondContact O-CD 3.45Å
339N34Very low34.7Very low119 Ų119132.7 Ų132.764%0.63677%0.774SS**  trans-95.7109.6179.9174.439.4000111.1C337 Q341C337-N339 PolarHBondContact O-N 3.38Å; C337-N339 VanDerWaalsContact O-N 3.13Å; N339-Q341 VanDerWaalsContact C-N 3.28Å; N339-Q341 PolarHBondContact O-N 2.98Å; N339-Q341 VanDerWaalsContact O-N 3.1Å
340P41.1Very low34.2Very low112 Ų112130.2 Ų130.273%0.72778%0.775SS**  trans-88.958-178.337.7-35.9000112.1Y338Y338-P340 WeakPolarHBondContact O-CD 3.45Å
341Q35.6Very low34.2Very low138 Ų138128.4 Ų128.465%0.64577%0.773SS**  trans-140.3129.8169.5-149142.9-42.300107.5N339N339-Q341 VanDerWaalsContact C-N 3.28Å; N339-Q341 PolarHBondContact O-N 2.98Å; N339-Q341 VanDerWaalsContact O-N 3.1Å
342E32Very low34Very low165 Ų165126.8 Ų126.877%0.77177%0.773SS**  cis-148.4151.718.13.5-171.890.600112.6
343L34.1Very low33.7Very low176 Ų176129.1 Ų129.192%0.92179%0.787SS**  trans-150.4118.4153.3-158.372.5000111.5
344L32.7Very low33Very low172 Ų172127 Ų12790%0.90179%0.786SS**  trans-67.6146.9167.4-114.862.5000110.1
345G31.2Very low32.8Very low52 Ų52128.1 Ų128.154%0.53679%0.787SS.*  cis177.3-151.8-0.300000110.5
346T30.2Very low32.7Very low151 Ų151132.4 Ų132.493%0.92679%0.788SS**  trans70.4137.2-172.277.60000114.5
347S30.7Very low32.3Very low99 Ų99130.8 Ų130.869%0.69277%0.774SS**  cis-150.9165.7-6.358.30000112.6
348T31.3Very low32.3Very low132 Ų132133.8 Ų133.881%0.8178%0.78SS**  trans59.195.7153.147.40000121
349G29.5Very low32.1Very low88 Ų88126.7 Ų126.791%0.90777%0.771SS**  97126.3104.900000121.3
350G29.2Very low32Very low77 Ų77131 Ų13179%0.79478%0.78SS**  trans117.6131.5154.800000116.5
351P42Very low31.8Very low126 Ų126131.1 Ų131.182%0.81877%0.774SS**  trans-111.9159.3-176.840.3-33.2000116.3
352A34.2Very low31.4Very low89 Ų89131.4 Ų131.474%0.73678%0.78SS**  trans10.7135.5154.400000122.1
353T30.6Very low31.7Very low151 Ų151128.7 Ų128.793%0.92678%0.779SS**  173.7152.2111.630.70000113.8
354G27.4Very low31.5Very low75 Ų75124.3 Ų124.377%0.77378%0.777SS**  trans115.6147.1136.400000121.1
355H29.1Very low31.7Very low171 Ų171119.6 Ų119.679%0.79277%0.77SS**  trans71.4107.5162.1-121.4-93.3000118.7
356R34.4Very low31.8Very low190 Ų190120.3 Ų120.372%0.71778%0.777SS**  66.6139.761-69.6-169.8177.5-114.5-0.3114.7
357E27.3Very low32.5Very low138 Ų138120.1 Ų120.165%0.64577%0.77SS**  cis-168.3142.4-13.9-111.6178.9106.700106
358M30.6Very low32.6Very low175 Ų175120.8 Ų120.886%0.86277%0.773SS**  87.2132.571.7-165.961.9179.200116
359G27.5Very low32.6Very low64 Ų64119.8 Ų119.866%0.6677%0.77SS**  trans80171.3172.400000116.4
360Y30.3Very low32.5Very low209 Ų209120.6 Ų120.682%0.8276%0.762SS**  cis-163.9120.4-29.2-161.9-102000106.8
361L37.2Very low33.3Very low115 Ų115124.7 Ų124.760%0.60276%0.764SS**  75.5118.568-130.4173.1000115
362D27.9Very low33.4Very low144 Ų144124.1 Ų124.177%0.7776%0.761SS**  trans-145.3174.5154-166.420.7000110.5
363S38.2Very low33.3Very low108 Ų108125.2 Ų125.276%0.75576%0.763SS**  trans-96.3137.7-135.1-54.90000115
364G29.3Very low34.2Very low84 Ų84127.3 Ų127.387%0.86676%0.759SS**SBendtrans-161.526-179.900000116
365G38.7Very low34.7Very low73 Ų73128.5 Ų128.575%0.75376%0.756SS**  trans92119.2-17700000113.5
366G33.3Very low35.4Very low67 Ų67128.2 Ų128.269%0.69176%0.759SS**  trans-69.2140.9177.400000112.4
367L44.8Very low35.5Very low148 Ų148123.5 Ų123.578%0.77575%0.754SS**  74.4141.264.1-72.5159.2000111.7
368C31.2Very low36.5Very low112 Ų112122.9 Ų122.976%0.75776%0.755SS**  cis-138.5145.436.8-63.30000115.8
369C31.3Very low37.2Very low112 Ų112119.7 Ų119.776%0.75775%0.746SS**  trans59.8145.4142.1-59.80000121
370S27.8Very low38.1Very low104 Ų104120.9 Ų120.973%0.72774%0.744SS**  cis-170.4134.1-13.144.50000109.8
371L46.7Very low39Very low163 Ų163115.3 Ų115.385%0.85373%0.732SS**  trans-81.7159169.6-79.278.1000110.9
372P44.7Very low39.4Very low115 Ų115114.9 Ų114.975%0.74773%0.73SS**  -137.5173.8101.739.6-30000115.3
373S32.1Very low40.5Very low111 Ų111111 Ų11178%0.77671%0.714SS**  trans6964.8156.3-57.80000119.7S375S373-S375 PolarHBondContact O-N 3.28Å
374K47.9Very low41.2Very low196 Ų196109.8 Ų109.885%0.85271%0.705SS**  trans11.6100.8139.1-66.1177.7175.11780117.2
375S37.9Very low42.4Very low100 Ų100109.4 Ų109.470%0.69969%0.689SS**  trans-115.6103.5148.4-170.80000109S373 C377S373-S375 PolarHBondContact O-N 3.28Å; S375-C377 VanDerWaalsContact C-N 3.28Å; S375-C377 PolarHBondContact O-N 3.46Å; S375-C377 VanDerWaalsContact O-N 3.1Å; S375-C377 PolarHBondContact OG-SG 3.37Å; S375-C377 VanDerWaalsContact OG-SG 3.42Å
376L45.2Very low43.3Very low164 Ų164110 Ų11086%0.85968%0.675SS**  trans-8570.7178.9-74.6171.3000110.3
377C35.3Very low44.6Very low91 Ų91111.3 Ų111.362%0.61566%0.663SS**  trans-70135.1171.3-65.40000110.7S375 T379S375-C377 VanDerWaalsContact C-N 3.28Å; S375-C377 PolarHBondContact O-N 3.46Å; S375-C377 VanDerWaalsContact O-N 3.1Å; S375-C377 PolarHBondContact OG-SG 3.37Å; S375-C377 VanDerWaalsContact OG-SG 3.42Å; C377-T379 PolarHBondContact O-N 2.94Å
378N48.6Very low45.2Very low125 Ų125108.1 Ų108.167%0.66865%0.653SS**  trans-69.991.3-178.9-78.1-74.9000112.3
379T45.3Very low46.7Very low108 Ų108106.8 Ų106.866%0.66364%0.638SS**  trans-94.5-27.1171.6530000113.1C377 V381 L382C377-T379 PolarHBondContact O-N 2.94Å; T379-V381 PolarHBondContact O-N 2.76Å; T379-L382 PolarHBondContact O-N 3.17Å
380S47.1Very low48.2Very low89 Ų89106 Ų10662%0.62262%0.623SS**Hα-helixtrans-65.2-32.4-176.949.20000114.3L382S380-L382 VanDerWaalsContact C-N 3.29Å; S380-L382 PolarHBondContact O-N 2.99Å
381V48Very low49.5Very low93 Ų93109.6 Ų109.656%0.56462%0.622SS**Hα-helixtrans-73.2-21.2180-174.80000112.3T379T379-V381 PolarHBondContact O-N 2.76Å
382L46Very low50.2Low106 Ų106106.5 Ų106.556%0.55561%0.606SS**Hα-helixtrans-85-29.3179.9-63.7177.5000112.9T379 S380 S385 L386T379-L382 PolarHBondContact O-N 3.17Å; S380-L382 VanDerWaalsContact C-N 3.29Å; S380-L382 PolarHBondContact O-N 2.99Å; L382-S385 PolarHBondContact O-N 3.33Å; L382-L386 WeakPolarHBondContact O-CB 3.34Å; L382-L386 WeakPolarHBondContact O-CG 3.41Å; L382-L386 PolarHBondContact O-N 3.39Å
383S50.4Low51.1Low62 Ų62106 Ų10643%0.43460%0.596SS.*Hα-helixtrans-61.6-49.9179.3162.50000112.2S385 L386 Q387S383-S385 VanDerWaalsContact C-N 3.28Å; S383-S385 PolarHBondContact O-N 2.89Å; S383-L386 PolarHBondContact O-N 3.28Å; S383-Q387 WeakPolarHBondContact O-CB 3.49Å; S383-Q387 PolarHBondContact O-N 3.21Å; S383-Q387 PolarHBondContact O-OE1 3.25Å; S383-Q387 PolarHBondContact OG-OE1 3.11Å
384S53.3Low52.3Low82 Ų82106.6 Ų106.657%0.57359%0.59SS**Hα-helixtrans-62.3-35.4179.154.90000113S388S384-S388 VanDerWaalsContact O-CB 3.3Å; S384-S388 WeakPolarHBondContact O-CB 3.41Å; S384-S388 PolarHBondContact O-N 3.44Å; S384-S388 VanDerWaalsContact O-N 3.11Å
385S54.8Low52.5Low77 Ų77102.9 Ų102.954%0.53858%0.58SS.*Hα-helixtrans-69.2-42.8175.5-166.30000112.1L382 S383 S388 L389L382-S385 PolarHBondContact O-N 3.33Å; S383-S385 VanDerWaalsContact C-N 3.28Å; S383-S385 PolarHBondContact O-N 2.89Å; S385-S388 PolarHBondContact O-N 3.37Å; S385-L389 WeakPolarHBondContact O-CB 3.49Å; S385-L389 PolarHBondContact O-N 2.77Å
386L56.8Low53.3Low86 Ų86103.4 Ų103.445%0.4557%0.574SS.*Hα-helixtrans-71.9-40.8178.3-71.9173.4000112.6L382 S383 S388 L389 E390L382-L386 WeakPolarHBondContact O-CB 3.34Å; L382-L386 WeakPolarHBondContact O-CG 3.41Å; L382-L386 PolarHBondContact O-N 3.39Å; S383-L386 PolarHBondContact O-N 3.28Å; L386-S388 VanDerWaalsContact C-N 3.28Å; L386-S388 PolarHBondContact O-N 2.73Å; L386-L389 HydrophobicContact CD2-CD2 4.21Å; L386-L389 CarbonylContact O-C 3.57Å; L386-L389 WeakPolarHBondContact O-CB 3.21Å; L386-L389 PolarHBondContact O-N 3.46Å; L386-L389 VanDerWaalsContact O-N 3.13Å; L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 WeakPolarHBondContact O-CG 3.3Å; L386-E390 PolarHBondContact O-N 2.97Å
387Q60.5Low54.1Low93 Ų93103.1 Ų103.144%0.43557%0.567SS.*Hα-helixtrans-61.9-35.7171.7-91.164.786.500112S383 E390 Y391S383-Q387 WeakPolarHBondContact O-CB 3.49Å; S383-Q387 PolarHBondContact O-N 3.21Å; S383-Q387 PolarHBondContact O-OE1 3.25Å; S383-Q387 PolarHBondContact OG-OE1 3.11Å; Q387-E390 VanDerWaalsContact NE2-CD 3.32Å; Q387-E390 PolarHBondContact NE2-OE1 3.13Å; Q387-E390 PolarHBondContact NE2-OE2 2.97Å; Q387-Y391 WeakPolarHBondContact O-CB 3.39Å; Q387-Y391 PolarHBondContact O-N 3.33Å
388S59.2Low55Low82 Ų82103.8 Ų103.857%0.57357%0.571SS**Hα-helixtrans-67.6-39.2172.7-1720000112.3S384 S385 L386 Y391 L392S384-S388 VanDerWaalsContact O-CB 3.3Å; S384-S388 WeakPolarHBondContact O-CB 3.41Å; S384-S388 PolarHBondContact O-N 3.44Å; S384-S388 VanDerWaalsContact O-N 3.11Å; S385-S388 PolarHBondContact O-N 3.37Å; L386-S388 VanDerWaalsContact C-N 3.28Å; L386-S388 PolarHBondContact O-N 2.73Å; S388-Y391 PolarHBondContact O-N 3.11Å; S388-L392 WeakPolarHBondContact O-CB 3.49Å; S388-L392 PolarHBondContact O-N 3.46Å
389L61Low55.1Low84 Ų84102.7 Ų102.744%0.4457%0.57SS.*Hα-helixtrans-68.3-40.5175.6-174.566.5000112.1S385 L386 L392 I393S385-L389 WeakPolarHBondContact O-CB 3.49Å; S385-L389 PolarHBondContact O-N 2.77Å; L386-L389 HydrophobicContact CD2-CD2 4.21Å; L386-L389 CarbonylContact O-C 3.57Å; L386-L389 WeakPolarHBondContact O-CB 3.21Å; L386-L389 PolarHBondContact O-N 3.46Å; L386-L389 VanDerWaalsContact O-N 3.13Å; L389-L392 PolarHBondContact O-N 2.86Å; L389-I393 HydrophobicContact CD1-CD1 4.11Å; L389-I393 HydrophobicContact CD1-CG1 4.46Å; L389-I393 HydrophobicContact CD2-CD1 4.47Å; L389-I393 HydrophobicContact CG-CD1 3.83Å; L389-I393 WeakPolarHBondContact O-CB 3.38Å; L389-I393 VanDerWaalsContact O-CG1 3.23Å; L389-I393 WeakPolarHBondContact O-CG1 3.41Å; L389-I393 PolarHBondContact O-N 3.49Å
390E63.8Low55.4Low94 Ų94101.4 Ų101.444%0.43957%0.565SS.*Hα-helixtrans-61.2-45.2173.5-73.8157.5-162.300110.7L386 Q387 I393 N394L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 WeakPolarHBondContact O-CG 3.3Å; L386-E390 PolarHBondContact O-N 2.97Å; Q387-E390 VanDerWaalsContact NE2-CD 3.32Å; Q387-E390 PolarHBondContact NE2-OE1 3.13Å; Q387-E390 PolarHBondContact NE2-OE2 2.97Å; E390-I393 PolarHBondContact O-N 3.5Å; E390-N394 PolarHBondContact O-N 3.1Å; E390-N394 PolarHBondContact O-ND2 3.4Å
391Y54.8Low55.5Low180 Ų180104.7 Ų104.771%0.70657%0.574SS**Hα-helixtrans-62.8-46.4175.6-161.8-93.2000111.4Q387 S388 I393 N394 D395Q387-Y391 WeakPolarHBondContact O-CB 3.39Å; Q387-Y391 PolarHBondContact O-N 3.33Å; S388-Y391 PolarHBondContact O-N 3.11Å; Y391-I393 PolarHBondContact O-N 3.42Å; Y391-N394 PolarHBondContact O-N 2.95Å; Y391-D395 WeakPolarHBondContact O-CB 3.46Å; Y391-D395 PolarHBondContact O-N 3.01Å
392L61.7Low55.5Low98 Ų98108.5 Ų108.551%0.51358%0.583SS.*Hα-helixtrans-60.5-40.8176.9-175.267.9000112.5S388 L389 D395 I396S388-L392 WeakPolarHBondContact O-CB 3.49Å; S388-L392 PolarHBondContact O-N 3.46Å; L389-L392 PolarHBondContact O-N 2.86Å; L392-D395 PolarHBondContact O-N 3.43Å; L392-I396 HydrophobicContact CD1-CD1 4.5Å; L392-I396 HydrophobicContact CG-CD1 4.11Å; L392-I396 WeakPolarHBondContact O-CD1 3.47Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 2.93Å; L392-I396 VanDerWaalsContact O-N 3.13Å
393I63.9Low56Low105 Ų105110.6 Ų110.654%0.53859%0.59SS.*Hα-helixtrans-70.8-34.2178.8-71.8169.9000111.6L389 E390 Y391L389-I393 HydrophobicContact CD1-CD1 4.11Å; L389-I393 HydrophobicContact CD1-CG1 4.46Å; L389-I393 HydrophobicContact CD2-CD1 4.47Å; L389-I393 HydrophobicContact CG-CD1 3.83Å; L389-I393 WeakPolarHBondContact O-CB 3.38Å; L389-I393 VanDerWaalsContact O-CG1 3.23Å; L389-I393 WeakPolarHBondContact O-CG1 3.41Å; L389-I393 PolarHBondContact O-N 3.49Å; E390-I393 PolarHBondContact O-N 3.5Å; Y391-I393 PolarHBondContact O-N 3.42Å
394N56.7Low55.9Low124 Ų124116 Ų11666%0.66361%0.608SS**Hα-helixtrans-72.6-32.6174.2-78.3-78.1000112.7E390 Y391 I396E390-N394 PolarHBondContact O-N 3.1Å; E390-N394 PolarHBondContact O-ND2 3.4Å; Y391-N394 PolarHBondContact O-N 2.95Å; N394-I396 VanDerWaalsContact C-N 3.35Å
395D52.9Low55.7Low118 Ų118119.9 Ų119.963%0.63162%0.619SS**Hα-helixtrans-76.3-21.1176.9-161.648.1000112.7Y391 L392 H397Y391-D395 WeakPolarHBondContact O-CB 3.46Å; Y391-D395 PolarHBondContact O-N 3.01Å; L392-D395 PolarHBondContact O-N 3.43Å; D395-H397 PolarHBondContact O-N 2.92Å
396I54.3Low55.8Low111 Ų111122.5 Ų122.557%0.56963%0.627SS**  trans-76.568.6170-60.8159000110.1L392 N394 P398L392-I396 HydrophobicContact CD1-CD1 4.5Å; L392-I396 HydrophobicContact CG-CD1 4.11Å; L392-I396 WeakPolarHBondContact O-CD1 3.47Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 2.93Å; L392-I396 VanDerWaalsContact O-N 3.13Å; N394-I396 VanDerWaalsContact C-N 3.35Å; I396-P398 WeakPolarHBondContact O-CD 3.37Å
397H62.3Low55.1Low157 Ų157121.7 Ų121.773%0.72764%0.639SS**PPolyproline II helixtrans-62.6120.4154.4-79.1-76000108.6D395 P399D395-H397 PolarHBondContact O-N 2.92Å; H397-P399 WeakPolarHBondContact O-CD 3.47Å; H397-P399 VanDerWaalsContact O-N 3.17Å
398P53.4Low54.8Low106 Ų106128 Ų12869%0.68867%0.665SS**PPolyproline II helixtrans-64.9118.6174.626.2-32.6000108.4I396 C400I396-P398 WeakPolarHBondContact O-CD 3.37Å; P398-C400 PolarHBondContact O-N 2.9Å; P398-C400 VanDerWaalsContact O-N 3.08Å
399P50.1Low54.2Low101 Ų101127.2 Ų127.266%0.65667%0.67SS**PPolyproline II helixtrans-64118.8-174.624.1-33000109.6H397 I401H397-P399 WeakPolarHBondContact O-CD 3.47Å; H397-P399 VanDerWaalsContact O-N 3.17Å; P399-I401 PolarHBondContact O-N 3.19Å
400C52.3Low53.3Low81 Ų81133.3 Ų133.355%0.54769%0.688SS.*  trans-55.3102.6175-66.70000109.1P398 K402 E403P398-C400 PolarHBondContact O-N 2.9Å; P398-C400 VanDerWaalsContact O-N 3.08Å; C400-K402 PolarHBondContact O-N 3.38Å; C400-E403 HydrophobicContact CB-CG 4.19Å; C400-E403 PolarHBondContact O-N 3.31Å
401I49.6Very low52.4Low159 Ų159136.7 Ų136.782%0.81570%0.704SS**THydrogen-bonded Turntrans-63.40.7-169.2-157.2165.3000114.6P399P399-I401 PolarHBondContact O-N 3.19Å
402K47.3Very low52.1Low172 Ų172134 Ų13475%0.74871%0.706SS**THydrogen-bonded Turntrans-91.8-26.5173.9-166.4177.7-179.6-1740113.5C400C400-K402 PolarHBondContact O-N 3.38Å
403E56.5Low51.1Low151 Ų151135 Ų13571%0.70672%0.717SS**THydrogen-bonded Turntrans-93.1-24.6-170.2-61.8-168.9141.700113.5C400 M405C400-E403 HydrophobicContact CB-CG 4.19Å; C400-E403 PolarHBondContact O-N 3.31Å; E403-M405 VanDerWaalsContact C-N 3.34Å
404Q49.6Very low50.1Low174 Ų174135.3 Ų135.381%0.81373%0.728SS**SBendtrans-83.5-7.7177.7-152.7173.510.400113.8
405M47.2Very low49.4Very low164 Ų164135.1 Ų135.181%0.80873%0.731SS**SBendtrans-100.6-16.5176.8-72.3-161.571.600114.5E403E403-M405 VanDerWaalsContact C-N 3.34Å
406L57Low49Very low133 Ų133135.5 Ų135.570%0.69674%0.74SS**SBendtrans-100.9102.9171-83.272.8000107.9
407G42.7Very low48.7Very low69 Ų69140.8 Ų140.871%0.71175%0.753SS**  trans-59.6158.2-178.100000113.4G409G407-G409 PolarHBondContact O-N 3.19Å
408K53.7Low47.6Very low225 Ų225140.6 Ų140.698%0.97876%0.757SS**SBendtrans-50.7112.6-177.1-59.1-170.4180-169.70111.7
409G48.4Very low47.1Very low65 Ų65142.2 Ų142.267%0.6776%0.759SS**  trans162.753.717900000116.3G407G407-G409 PolarHBondContact O-N 3.19Å
410Y40.5Very low46.6Very low212 Ų212143.5 Ų143.583%0.83176%0.76SS**  trans-153.484.7155.1-126.7-75.4000111.5V413Y410-V413 HydrophobicContact CE1-CG2 4Å
411E44.9Very low46.2Very low166 Ų166146.1 Ų146.178%0.77676%0.764SS**  trans-77.3146.2165.1-131-172.8146.100109.9
412T49.2Very low45.9Very low122 Ų122144.9 Ų144.975%0.74875%0.754SS**  trans34.393.5160.559.50000118.7
413V40.9Very low45.9Very low120 Ų120144.9 Ų144.973%0.72776%0.757SS**  trans-124.2131.7140178.90000107.9Y410Y410-V413 HydrophobicContact CE1-CG2 4Å
414S43.4Very low45.2Very low111 Ų111142.3 Ų142.378%0.77676%0.761SS**  trans-75.7149.2-167.545.20000113.6P416S414-P416 WeakPolarHBondContact O-CD 3.39Å
415V40.6Very low45.1Very low121 Ų121143 Ų14373%0.73376%0.764SS**  trans-79.6122.9174.5178.80000110.2R417V415-R417 HydrophobicContact CG1-CG 4.15Å; V415-R417 PolarHBondContact O-N 3.1Å
416P44Very low45.2Very low126 Ų126142.8 Ų142.882%0.81876%0.764SS**  trans-76.9109.3158.9-826.7000108.3S414S414-P416 WeakPolarHBondContact O-CD 3.39Å
417R48.1Very low45Very low222 Ų222147.8 Ų147.884%0.83877%0.774SS**  trans-82.7119.4168.6-82.8-171.5169.6126.6-2.7109.7V415V415-R417 HydrophobicContact CG1-CG 4.15Å; V415-R417 PolarHBondContact O-N 3.1Å
418L40.8Very low45.6Very low153 Ų153151.5 Ų151.580%0.80178%0.777SS**  trans-126.2114.7157.7-140.765000104.7
419L41.5Very low45.7Very low140 Ų140146.1 Ų146.173%0.73377%0.765SS**  50.986.376.1-69.6153.3000108.8
420D39.8Very low45.7Very low128 Ų128149.6 Ų149.668%0.68477%0.773SS**  91.1143.470.6-176.944.1000111.7
421H43.6Very low45.8Very low135 Ų135149.9 Ų149.963%0.62577%0.774SS**  trans68.7113.2170.1-88.156.8000121.7
422Q43.6Very low46.2Very low133 Ų133156.8 Ų156.862%0.62179%0.793SS**  trans80.6127.4134.2-53-64-18.800122.5
423H48.2Very low46Very low173 Ų173158.6 Ų158.680%0.80180%0.795SS**  trans26.2103.7145.7-65.790.7000120.4
424A40.7Very low46.3Very low96 Ų96160.6 Ų160.679%0.79380%0.799SS**  trans-131.3125.7156.700000110.9I426A424-I426 PolarHBondContact O-N 3.13Å
425H48.1Very low46.4Very low189 Ų189163.3 Ų163.388%0.87580%0.8SS**  trans-71.1120.8178.3-80.4-104.3000111.3R427H425-R427 PolarHBondContact O-N 3.49Å
426I50.3Low46.8Very low159 Ų159165.8 Ų165.882%0.81580%0.804SS**  trans-72.3101.1173.3-56.3174.8000109.1A424A424-I426 PolarHBondContact O-N 3.13Å
427R52.6Low46.9Very low238 Ų238168.3 Ų168.390%0.89880%0.803SS**  trans-86.4111.3172.9-136.2176.8-176.4162.21.2109H425H425-R427 PolarHBondContact O-N 3.49Å
428L55.1Low46.9Very low148 Ų148164.7 Ų164.778%0.77580%0.801SS**PPolyproline II helixtrans-67.8137.4177.1-66.4172.7000110.8V430L428-V430 PolarHBondContact O-N 3.47Å
429P56.1Low47.3Very low112 Ų112165.6 Ų165.673%0.72780%0.801SS**PPolyproline II helixtrans-74.6124.2174.829.9-33000110.8
430V48.8Very low47.7Very low138 Ų138167.5 Ų167.584%0.83681%0.806SS**PPolyproline II helixtrans-80.9117.3168.4175.20000108.2L428L428-V430 PolarHBondContact O-N 3.47Å
431Y42.2Very low48.4Very low218 Ų218170.8 Ų170.886%0.85582%0.816SS**PPolyproline II helixtrans-69.2142.5165-101.8-96.9000110.2
432R51.6Low48.8Very low311 Ų311174.1 Ų174.1100%1.17483%0.834SS**  trans-1090167.1-92.3-175169.5156.2-3109.5

Retrieved 432 of 432 residues in 210.3 ms (Link to these results)