A0A077Z3M3_TRITR Loading...

HABP4 PAI-RBP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3M3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 521 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.4Low60.5Low244 Ų244145.5 Ų145.5100%1.20279%0.785SS**  0890-84.4172.8174.600107.2
2E59.2Low60.7Low186 Ų186148.4 Ų148.487%0.86979%0.786SS**  trans-87.3134.5171.2-65.7-174.2167.900108.1E4E2-E4 PolarHBondContact O-N 3.45Å; E2-E4 VanDerWaalsContact O-N 3.11Å
3P63.6Low60.2Low98 Ų98148.1 Ų148.164%0.63677%0.774SS**  trans-75.4100.5175.629.7-31.1000108.7Y5P3-Y5 HydrophobicContact CB-CE2 4.19Å; P3-Y5 HydrophobicContact CG-CE2 4.12Å; P3-Y5 VanDerWaalsContact O-CD2 3.28Å; P3-Y5 WeakPolarHBondContact O-CD2 3.5Å; P3-Y5 PolarHBondContact O-N 3.37Å
4E65Low59.8Low190 Ų190143.5 Ų143.589%0.88877%0.768SS**  trans-75110173.3-160.5170.2-160.300109.3E2 G6E2-E4 PolarHBondContact O-N 3.45Å; E2-E4 VanDerWaalsContact O-N 3.11Å; E4-G6 PolarHBondContact O-N 3.14Å; E4-G6 VanDerWaalsContact O-N 3.13Å
5Y57Low59.6Low211 Ų211139.3 Ų139.383%0.82776%0.761SS**  trans-8186.6177.7-73.3-89.4000110P3 V7P3-Y5 HydrophobicContact CB-CE2 4.19Å; P3-Y5 HydrophobicContact CG-CE2 4.12Å; P3-Y5 VanDerWaalsContact O-CD2 3.28Å; P3-Y5 WeakPolarHBondContact O-CD2 3.5Å; P3-Y5 PolarHBondContact O-N 3.37Å; Y5-V7 PolarHBondContact O-N 3.2Å
6G67.6Low59.2Low59 Ų59135.9 Ų135.961%0.60874%0.742SS**  trans-76.3115.4168.600000111.5E4 N8E4-G6 PolarHBondContact O-N 3.14Å; E4-G6 VanDerWaalsContact O-N 3.13Å; G6-N8 PolarHBondContact O-N 2.94Å
7V60Low58.9Low126 Ų126131.4 Ų131.476%0.76473%0.734SS**  trans-76.4100.6170-179.70000108.4Y5 V9Y5-V7 PolarHBondContact O-N 3.2Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 HydrophobicContact CG1-CG2 3.84Å; V7-V9 PolarHBondContact O-N 3.12Å
8N60.1Low58.8Low155 Ų155130.6 Ų130.683%0.82973%0.728SS**  trans-68.991168.1-69-23.9000109.1G6 S10G6-N8 PolarHBondContact O-N 2.94Å; N8-S10 VanDerWaalsContact C-N 3.28Å; N8-S10 PolarHBondContact O-N 3.47Å
9V58.4Low58.8Low125 Ų125129.7 Ų129.776%0.75872%0.721SS**  trans-76.489.1165.7-172.50000106.8V7 N11V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 HydrophobicContact CG1-CG2 3.84Å; V7-V9 PolarHBondContact O-N 3.12Å; V9-N11 PolarHBondContact O-N 3.29Å; V9-N11 VanDerWaalsContact O-N 3.08Å
10S63.4Low59Low95 Ų95131.2 Ų131.266%0.66473%0.728SS**  trans-60115.7166.351.70000107.9N8 K12N8-S10 VanDerWaalsContact C-N 3.28Å; N8-S10 PolarHBondContact O-N 3.47Å; S10-K12 PolarHBondContact O-N 3.27Å
11N60.8Low59.4Low111 Ų111127.9 Ų127.959%0.59471%0.709SS**  trans-63.5105.1175.3-160.2-2.7000107.2V9 F13 A14V9-N11 PolarHBondContact O-N 3.29Å; V9-N11 VanDerWaalsContact O-N 3.08Å; N11-F13 PolarHBondContact O-N 3.2Å; N11-A14 HydrophobicContact CB-CB 4.34Å; N11-A14 PolarHBondContact O-N 3.47Å
12K62.5Low60.8Low181 Ų181120.5 Ų120.579%0.78767%0.674SS**THydrogen-bonded Turntrans-61-8.2-178-69.2-177179.4178.90113.1S10S10-K12 PolarHBondContact O-N 3.27Å
13F54.1Low62Low144 Ų144116 Ų11663%0.63266%0.661SS**THydrogen-bonded Turntrans-106.2-1.4179.5-56.2-61.8000113.9N11 A15 L16N11-F13 PolarHBondContact O-N 3.2Å; F13-A15 PolarHBondContact O-N 3.27Å; F13-L16 HydrophobicContact CB-CD1 4.08Å; F13-L16 HydrophobicContact CD1-CD1 3.44Å; F13-L16 VanDerWaalsContact CD1-CD1 3.44Å; F13-L16 HydrophobicContact CD1-CG 4.34Å; F13-L16 HydrophobicContact CE1-CD1 4.3Å; F13-L16 HydrophobicContact CG-CD1 4.19Å; F13-L16 WeakPolarHBondContact O-CB 3.43Å; F13-L16 PolarHBondContact O-N 3.22Å
14A55.8Low62.7Low84 Ų84118.7 Ų118.769%0.69466%0.663SS**THydrogen-bonded Turntrans-68.9-8.9171.200000113N11N11-A14 HydrophobicContact CB-CB 4.34Å; N11-A14 PolarHBondContact O-N 3.47Å
15A55.6Low63.5Low81 Ų81113.7 Ų113.767%0.66964%0.642SS**THydrogen-bonded Turntrans-90.30.7170.500000113.6F13F13-A15 PolarHBondContact O-N 3.27Å
16L54.1Low64.5Low85 Ų85108 Ų10845%0.44563%0.625SS.*  trans-948.4176.7-64.1178.2000113F13 D18 D19F13-L16 HydrophobicContact CB-CD1 4.08Å; F13-L16 HydrophobicContact CD1-CD1 3.44Å; F13-L16 VanDerWaalsContact CD1-CD1 3.44Å; F13-L16 HydrophobicContact CD1-CG 4.34Å; F13-L16 HydrophobicContact CE1-CD1 4.3Å; F13-L16 HydrophobicContact CG-CD1 4.19Å; F13-L16 WeakPolarHBondContact O-CB 3.43Å; F13-L16 PolarHBondContact O-N 3.22Å; L16-D18 PolarHBondContact O-N 2.78Å; L16-D19 VanDerWaalsContact CD2-OD2 3.28Å; L16-D19 WeakPolarHBondContact CD2-OD2 3.26Å; L16-D19 WeakPolarHBondContact O-CB 3.39Å; L16-D19 PolarHBondContact O-N 3.29Å
17G54Low65.1Low59 Ų59110.1 Ų110.161%0.60862%0.622SS**THydrogen-bonded Turntrans-70.7-4.8171.700000114.2
18D57.4Low66.4Low117 Ų117106.6 Ų106.663%0.62661%0.607SS**THydrogen-bonded Turntrans-97.42.6175.3-77.6-20.2000112.7L16 D20 L21L16-D18 PolarHBondContact O-N 2.78Å; D18-D20 PolarHBondContact O-N 2.94Å; D18-L21 PolarHBondContact O-N 3.29Å
19D58.4Low67.5Low113 Ų113103.8 Ų103.860%0.60459%0.591SS**THydrogen-bonded Turntrans-76-6.2-179.8-71.6-15.7000113.5L16 L21L16-D19 VanDerWaalsContact CD2-OD2 3.28Å; L16-D19 WeakPolarHBondContact CD2-OD2 3.26Å; L16-D19 WeakPolarHBondContact O-CB 3.39Å; L16-D19 PolarHBondContact O-N 3.29Å; D19-L21 VanDerWaalsContact C-N 3.31Å
20D62.4Low68.6Low159 Ų159105 Ų10585%0.8558%0.583SS**THydrogen-bonded Turntrans-83.9-6.2174.8-68.8-31.9000112.9D18 D22D18-D20 PolarHBondContact O-N 2.94Å; D20-D22 PolarHBondContact O-N 3.43Å
21L68Low69.6Low63 Ų63105 Ų10533%0.3358%0.579SS.*SBendtrans-79.6115.3172.1-74.2163000109.6D18 D19 D25 L26D18-L21 PolarHBondContact O-N 3.29Å; D19-L21 VanDerWaalsContact C-N 3.31Å; L21-D25 HydrophobicContact CD2-CB 4.09Å; L21-L26 HydrophobicContact CB-CD2 4.22Å; L21-L26 HydrophobicContact CB-CG 4.09Å; L21-L26 HydrophobicContact CD1-CD2 4.13Å
22D80.4Confident70.6Confident88 Ų88104.5 Ų104.547%0.47157%0.573SS.*  trans-48.9134.8173.7-166.9-23.7000108.9D20 F24 D25 L26D20-D22 PolarHBondContact O-N 3.43Å; D22-F24 CarbonylContact O-C 3.45Å; D22-F24 PolarHBondContact O-N 3.21Å; D22-D25 WeakPolarHBondContact O-CA 3.2Å; D22-D25 WeakPolarHBondContact O-CB 3.28Å; D22-D25 PolarHBondContact O-N 3.1Å; D22-L26 PolarHBondContact O-N 3.42Å
23P82.5Confident71.6Confident92 Ų92103.5 Ų103.560%0.59757%0.569SS**Hα-helixtrans-47.4-24.7176.214-31.7000114.7L27P23-L27 PolarHBondContact O-N 2.75Å
24F79.5Confident72.7Confident155 Ų15599.4 Ų99.468%0.6855%0.554SS**Hα-helixtrans-70.9-36.2171.3-80.2-80.7000114.5D22 L27 A28D22-F24 CarbonylContact O-C 3.45Å; D22-F24 PolarHBondContact O-N 3.21Å; F24-L27 PolarHBondContact O-N 3.27Å; F24-A28 PolarHBondContact O-N 2.82Å
25D81.7Confident73.7Confident84 Ų8498.2 Ų98.245%0.44954%0.543SS..Hα-helixtrans-71.6-36.7178.2-73.3-22000111.4L21 D22 L27 A28 L29L21-D25 HydrophobicContact CD2-CB 4.09Å; D22-D25 WeakPolarHBondContact O-CA 3.2Å; D22-D25 WeakPolarHBondContact O-CB 3.28Å; D22-D25 PolarHBondContact O-N 3.1Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 3.37Å; D25-A28 PolarHBondContact O-N 3Å; D25-L29 WeakPolarHBondContact O-CG 3.4Å; D25-L29 PolarHBondContact O-N 3.05Å
26L78Confident74.4Confident91 Ų91100.5 Ų100.548%0.47654%0.538SS..Hα-helixtrans-62.2-39.9171.7-70.7173000112L21 D22 Y30L21-L26 HydrophobicContact CB-CD2 4.22Å; L21-L26 HydrophobicContact CB-CG 4.09Å; L21-L26 HydrophobicContact CD1-CD2 4.13Å; D22-L26 PolarHBondContact O-N 3.42Å; L26-Y30 WeakPolarHBondContact O-CB 3.3Å; L26-Y30 PolarHBondContact O-N 3.13Å
27L80.2Confident74.9Confident104 Ų10498.9 Ų98.955%0.54553%0.534SS..Hα-helixtrans-65.9-42.1174.2-94.6159.9000112P23 F24 D25 Y30 V31P23-L27 PolarHBondContact O-N 2.75Å; F24-L27 PolarHBondContact O-N 3.27Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 3.37Å; L27-Y30 PolarHBondContact O-N 3.11Å; L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.75Å
28A86.1Confident75.1Confident52 Ų52101.1 Ų101.143%0.4353%0.532SS..Hα-helixtrans-62-45.9176.500000111.7F24 D25 Y30 V31 E32F24-A28 PolarHBondContact O-N 2.82Å; D25-A28 PolarHBondContact O-N 3Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 2.78Å; A28-V31 PolarHBondContact O-N 2.88Å; A28-E32 PolarHBondContact O-N 3.28Å
29L83.4Confident75.2Confident96 Ų9698.4 Ų98.450%0.50353%0.526SS..Hα-helixtrans-62.1-39.4175.9-72.1172.9000112.2D25 K33D25-L29 WeakPolarHBondContact O-CG 3.4Å; D25-L29 PolarHBondContact O-N 3.05Å; L29-K33 VanDerWaalsContact O-CB 3.25Å; L29-K33 WeakPolarHBondContact O-CB 3.27Å; L29-K33 PolarHBondContact O-N 3.28Å
30Y81.9Confident75.2Confident150 Ų15095.4 Ų95.459%0.58852%0.516SS*.Hα-helixtrans-65.7-43.7176.2-174.4-104000112.2L26 L27 A28 K33 N34L26-Y30 WeakPolarHBondContact O-CB 3.3Å; L26-Y30 PolarHBondContact O-N 3.13Å; L27-Y30 PolarHBondContact O-N 3.11Å; A28-Y30 VanDerWaalsContact C-N 3.33Å; A28-Y30 PolarHBondContact O-N 2.78Å; Y30-K33 PolarHBondContact O-N 3.42Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.49Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.42Å; Y30-N34 WeakPolarHBondContact O-CB 3.01Å; Y30-N34 VanDerWaalsContact O-CG 3.31Å; Y30-N34 PolarHBondContact O-N 3.02Å; Y30-N34 VanDerWaalsContact O-N 3.07Å; Y30-N34 PolarHBondContact O-ND2 2.78Å
31V85.3Confident75Confident95 Ų9592.6 Ų92.658%0.57650%0.502SS*.Hα-helixtrans-63.7-44.3175.81720000110.9L27 A28 N34 A35L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.75Å; A28-V31 PolarHBondContact O-N 2.88Å; V31-N34 PolarHBondContact O-N 2.9Å; V31-A35 WeakPolarHBondContact O-CB 3.49Å; V31-A35 PolarHBondContact O-N 3.37Å
32E82.2Confident74.5Confident101 Ų10197.4 Ų97.447%0.47252%0.52SS..Hα-helixtrans-62.8-43.3176.6-81.9-159.7-174.500113A28 N34 A35 K36A28-E32 PolarHBondContact O-N 3.28Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 2.68Å; E32-A35 PolarHBondContact O-N 3.15Å; E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 3.39Å; E32-K36 IonicContact OE2-NZ 2.73Å; E32-K36 PolarHBondContact OE2-NZ 2.72Å
33K81.6Confident73.5Confident160 Ų160101.5 Ų101.570%0.69653%0.534SS*.Hα-helixtrans-63.8-39.8-179.9-168.4174.2-178.91770111.3L29 Y30 S37L29-K33 VanDerWaalsContact O-CB 3.25Å; L29-K33 WeakPolarHBondContact O-CB 3.27Å; L29-K33 PolarHBondContact O-N 3.28Å; Y30-K33 PolarHBondContact O-N 3.42Å; K33-S37 PolarHBondContact O-N 3.48Å; K33-S37 PolarHBondContact O-OG 3.17Å
34N78.9Confident72.1Confident59 Ų59104.6 Ų104.632%0.31654%0.537SS..Hα-helixtrans-77.6-26.4177.2-67.2-34.1000113.4Y30 V31 E32 S37 N38Y30-N34 WeakPolarHBondContact CD1-ND2 3.49Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.42Å; Y30-N34 WeakPolarHBondContact O-CB 3.01Å; Y30-N34 VanDerWaalsContact O-CG 3.31Å; Y30-N34 PolarHBondContact O-N 3.02Å; Y30-N34 VanDerWaalsContact O-N 3.07Å; Y30-N34 PolarHBondContact O-ND2 2.78Å; V31-N34 PolarHBondContact O-N 2.9Å; E32-N34 VanDerWaalsContact C-N 3.32Å; E32-N34 PolarHBondContact O-N 2.68Å; N34-S37 PolarHBondContact O-OG 3.03Å; N34-S37 VanDerWaalsContact O-OG 3.05Å; N34-N38 PolarHBondContact O-N 3.32Å; N34-N38 PolarHBondContact O-ND2 3.5Å
35A76Confident70.7Confident58 Ų58100.3 Ų100.348%0.47953%0.527SS..Hα-helixtrans-70.8-38.1171.100000111.7V31 E32 A39V31-A35 WeakPolarHBondContact O-CB 3.49Å; V31-A35 PolarHBondContact O-N 3.37Å; E32-A35 PolarHBondContact O-N 3.15Å; A35-A39 PolarHBondContact O-N 3.14Å
36K70Confident69.3Low130 Ų130104.5 Ų104.557%0.56554%0.541SS*.Hα-helixtrans-71.4-36.2179.4-70.8166.9-170.4161.80112.7E32 A39 A40E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 VanDerWaalsContact O-CG 3.26Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 3.39Å; E32-K36 IonicContact OE2-NZ 2.73Å; E32-K36 PolarHBondContact OE2-NZ 2.72Å; K36-A39 PolarHBondContact O-N 2.67Å; K36-A40 PolarHBondContact O-N 2.94Å
37S65Low67.8Low51 Ų51108.7 Ų108.736%0.35756%0.556SS.*Hα-helixtrans-65.1-45.9175.257.60000112K33 N34 A39 A40 D41K33-S37 PolarHBondContact O-N 3.48Å; K33-S37 PolarHBondContact O-OG 3.17Å; N34-S37 PolarHBondContact O-OG 3.03Å; N34-S37 VanDerWaalsContact O-OG 3.05Å; S37-A39 VanDerWaalsContact C-N 3.27Å; S37-A39 PolarHBondContact O-N 2.88Å; S37-A40 PolarHBondContact O-N 2.86Å; S37-A40 VanDerWaalsContact O-N 3.16Å; S37-D41 PolarHBondContact O-N 3.27Å
38N58.8Low66.4Low106 Ų106108.8 Ų108.857%0.56756%0.56SS**Hα-helixtrans-64-28.3178.1-74.7-47.8000113.7N34N34-N38 PolarHBondContact O-N 3.32Å; N34-N38 PolarHBondContact O-ND2 3.5Å
39A59.1Low64.6Low60 Ų60114.2 Ų114.250%0.49658%0.576SS.*Hα-helixtrans-78.1-30.6175.700000113.2A35 K36 S37A35-A39 PolarHBondContact O-N 3.14Å; K36-A39 PolarHBondContact O-N 2.67Å; S37-A39 VanDerWaalsContact C-N 3.27Å; S37-A39 PolarHBondContact O-N 2.88Å
40A58.8Low62.9Low49 Ų49117.8 Ų117.841%0.40559%0.591SS.*Hα-helixtrans-73.8-36.4178.400000112.2K36 S37 K43 K44K36-A40 PolarHBondContact O-N 2.94Å; S37-A40 PolarHBondContact O-N 2.86Å; S37-A40 VanDerWaalsContact O-N 3.16Å; A40-K43 PolarHBondContact O-N 3.02Å; A40-K44 PolarHBondContact O-N 3.1Å
41D57.5Low61.2Low101 Ų101119.8 Ų119.854%0.5460%0.602SS.*Hα-helixtrans-73-32.8-179.8-68-27.6000112.5S37 K43 K44 S45S37-D41 PolarHBondContact O-N 3.27Å; D41-K43 VanDerWaalsContact C-N 3.3Å; D41-K43 PolarHBondContact O-N 3.08Å; D41-K44 PolarHBondContact O-N 3.03Å; D41-S45 PolarHBondContact O-N 3.27Å; D41-S45 PolarHBondContact O-OG 2.83Å
42K58.4Low59.2Low163 Ų163121.3 Ų121.371%0.70961%0.612SS**Hα-helixtrans-68.6-21.2172.7-81.4-178.3177.1175.40114.6S45K42-S45 PolarHBondContact O-OG 3.46Å
43K57.8Low57.2Low175 Ų175121.4 Ų121.476%0.76163%0.63SS**Hα-helixtrans-86.4-21.3174.6-80.3-175.7177.8177.80113A40 D41A40-K43 PolarHBondContact O-N 3.02Å; D41-K43 VanDerWaalsContact C-N 3.3Å; D41-K43 PolarHBondContact O-N 3.08Å
44K53.3Low55.4Low156 Ų156118 Ų11868%0.67863%0.631SS**Hα-helixtrans-85.6-31176.1-72.4-178.2179.4175.60112.8A40 D41A40-K44 PolarHBondContact O-N 3.1Å; D41-K44 PolarHBondContact O-N 3.03Å
45S51.6Low53.5Low65 Ų65122.3 Ų122.346%0.45566%0.66SS.*Hα-helixtrans-72.6-31.117653.20000113.7D41 K42 K47D41-S45 PolarHBondContact O-N 3.27Å; D41-S45 PolarHBondContact O-OG 2.83Å; K42-S45 PolarHBondContact O-OG 3.46Å; S45-K47 VanDerWaalsContact C-N 3.3Å; S45-K47 PolarHBondContact O-N 2.71Å
46K52.3Low52Low173 Ų173124.3 Ų124.375%0.75268%0.676SS**THydrogen-bonded Turntrans-76-6.8179.5-116.7-179.9-177.6-177.40116
47K46Very low50.9Low179 Ų179124 Ų12478%0.77869%0.688SS**THydrogen-bonded Turntrans-104-5.3-179.6-162.5169.3-178.9178.10113.4S45S45-K47 VanDerWaalsContact C-N 3.3Å; S45-K47 PolarHBondContact O-N 2.71Å
48V49.7Very low50.1Low106 Ų106129.8 Ų129.864%0.64272%0.715SS**THydrogen-bonded Turntrans-104.9-18.8-178.8-179.50000112.1
49E50.2Low49.1Very low165 Ų165135.5 Ų135.577%0.77173%0.728SS**THydrogen-bonded Turntrans-87.1-1.4-179.4-75.1-179.9155.800115.6
50E46.4Very low48.3Very low172 Ų172139.6 Ų139.680%0.80474%0.742SS**THydrogen-bonded Turntrans-100.74.5-179.4-154.5178.1170.800114
51K46.6Very low47.6Very low191 Ų191143.5 Ų143.583%0.8376%0.76SS**SBendtrans-125.514-174.6-69.7-167.4175.5-171.90116
52V43.7Very low47Very low128 Ų128144.4 Ų144.478%0.77677%0.77SS**SBendtrans-122.97.4-178.3-170.90000112.8
53A40.4Very low46.3Very low103 Ų103141 Ų14185%0.85177%0.766SS**SBendtrans-96.413.7-175.300000115.5
54A42.2Very low45.7Very low88 Ų88139.9 Ų139.973%0.72777%0.768SS**SBendtrans-133.179.1-178.100000111
55T39.4Very low45.4Very low149 Ų149140.4 Ų140.491%0.91478%0.778SS**  trans165.392.9151.331.40000109.6
56A44.5Very low44.8Very low100 Ų100144.7 Ų144.783%0.82680%0.795SS**  trans-107.5135.1166.400000108.6
57P46.9Very low44.5Very low124 Ų124142.8 Ų142.881%0.80579%0.789SS**  trans-106.9128.2163.932.8-22.8000111.3
58D48.2Very low44.5Very low173 Ų173142 Ų14293%0.92579%0.785SS**  trans-67.1152.8174.9-86.5-36.8000113.3
59R38.9Very low44.5Very low225 Ų225143 Ų14385%0.84980%0.797SS**  trans-87.2152.6-178-69.6174.4169.1163.1-4.4112.6
60N41Very low44.3Very low147 Ų147139.8 Ų139.879%0.78680%0.799SS**  trans78128153.1-61.3-18000118.2
61V45.7Very low45.1Very low130 Ų130137.6 Ų137.679%0.78880%0.799SS**  164.7109.4118.7161.40000110.2
62V43.7Very low45.4Very low121 Ų121134.7 Ų134.773%0.73380%0.8SS**  73.9117.9129.6-1790000121.4
63S43.5Very low45.5Very low90 Ų90131.8 Ų131.863%0.62980%0.796SS**  trans65.8123.3140.969.10000122.5
64L45.3Very low45.8Very low152 Ų152138.2 Ų138.280%0.79680%0.798SS**  42.7111.2124.4-56.6167.2000116.2
65N47Very low46.1Very low167 Ų167140.8 Ų140.889%0.89380%0.795SS**  -171.3137.4110.6-86.6-35.6000113.3
66L39Very low46.8Very low156 Ų156143.2 Ų143.282%0.81780%0.796SS**  trans-61.6142168.7-171.467.9000110.6
67E46.2Very low47Very low133 Ų133147.5 Ų147.562%0.62180%0.796SS**  trans141.3125.6137.2-73.9-157150.200115.1
68K45.3Very low47.1Very low161 Ų161149.1 Ų149.170%0.780%0.803SS**  trans64.2108140.3-65.3165.3-173.3152.90118.2
69S49.8Very low46.9Very low127 Ų127146 Ų14689%0.88880%0.795SS**  151.9126.4100.757.70000111.6
70A47.5Very low47.4Very low98 Ų98147.3 Ų147.381%0.8180%0.8SS**  trans-119.6144.8165.400000108
71P63.3Low47.4Very low126 Ų126144.9 Ų144.982%0.81880%0.8SS**  trans-96.9162.1170.235.7-28.7000112.5
72P52.3Low47.4Very low131 Ų131143.4 Ų143.485%0.85180%0.802SS**  trans-116.6166.5-147.739-27.2000115.1
73G46Very low47.6Very low67 Ų67146.5 Ų146.569%0.69181%0.805SS**  trans121.7113.2138.700000117
74R46.4Very low47.6Very low237 Ų237147.9 Ų147.989%0.89481%0.81SS**  -172.5152.5106.7-99.1173.7179.8-172.50.4110.7
75H47.7Very low47.9Very low142 Ų142147.3 Ų147.366%0.65781%0.813SS**  trans-115.8145.5-151.827.1-94.1000108.8
76E54.3Low47.5Very low200 Ų200149 Ų14994%0.93582%0.815SS**  trans-161.9136.7136.7-111.1165.6-156.900110.8
77K50Low48Very low191 Ų191144.4 Ų144.483%0.8381%0.806SS**  trans-105.6140.9-164-58.2166.41781750108.6
78V48.5Very low48.2Very low157 Ų157146.4 Ų146.495%0.95282%0.821SS**  trans-146.2126.7135.8-167.10000108.3
79S43.6Very low48.4Very low107 Ų107149.6 Ų149.675%0.74883%0.829SS**  trans-115.4144.3-177.156.60000109.4
80R48.5Very low48.4Very low253 Ų253154.4 Ų154.496%0.95583%0.827SS**  trans-157119.2140.2-142.5169.9-180107.4-2.9110.4
81A42.4Very low48.3Very low97 Ų97155.2 Ų155.280%0.80282%0.822SS**  trans-92.1154.5177.300000111.3
82A45.3Very low47.6Very low99 Ų99158.2 Ų158.282%0.81882%0.822SS**  trans158.4147146.200000108.2
83K48.8Very low47.3Very low186 Ų186157 Ų15781%0.80981%0.813SS**  cis-178.2126-13.1-175.7169.6-177.4-177.30103.7
84V43.1Very low47.4Very low118 Ų118160.9 Ų160.972%0.71582%0.823SS**  trans38.4125.8138-164.90000118.6
85T50.5Low47.4Very low141 Ų141154 Ų15487%0.86582%0.817SS**  176.1139.7109.532.10000111.3
86E39.7Very low47.7Very low201 Ų201153.2 Ų153.294%0.93982%0.824SS**  trans-109.9141-176.3-178.7164.1-170.300108.4
87G48Very low47.3Very low61 Ų61147.8 Ų147.863%0.62981%0.814SS**  trans146.310817100000112.4
88D51.8Low47.4Very low175 Ų175145.9 Ų145.994%0.93682%0.818SS**  -169141.2113.2-96.1-24.5000113.4
89R49.9Very low47.2Very low228 Ų228141.5 Ų141.586%0.8681%0.805SS**  trans-100.5149.2-170.9-65.5176.6177.9118.9-2.5110.6
90R48.7Very low47.3Very low227 Ų227144.5 Ų144.586%0.85781%0.811SS**  trans70.4122.5137-82-172.1167.5-145.4-2.8121.7
91V45.3Very low47.1Very low116 Ų116142.7 Ų142.770%0.70380%0.804SS**  75.2115.1123.1-178.80000119.5
92K49.2Very low47.5Very low189 Ų189147.1 Ų147.182%0.82281%0.808SS**  trans-171.3103.7130.7-133.8140.4179.3175.20110.7
93T45.4Very low47.4Very low106 Ų106152.4 Ų152.465%0.6581%0.807SS**  36.9120.7106.966.10000116.4
94T49.1Very low47.3Very low147 Ų147153.1 Ų153.190%0.90281%0.81SS**  170.4132.8119.642.50000110.8
95A46.3Very low47.3Very low94 Ų94154.9 Ų154.978%0.77782%0.816SS**  trans-108.7162.6168.400000109.3
96P53.3Low47.3Very low124 Ų124155.6 Ų155.681%0.80581%0.813SS**  -146.4137.3115.232.7-14.5000112.9
97A46.4Very low47.4Very low86 Ų86155.1 Ų155.171%0.71181%0.811SS**  87.9145.183.100000116
98T50.8Low47.2Very low151 Ų151156.9 Ų156.993%0.92682%0.82SS**  trans87.8127.6174.174.90000116.2
99G44.9Very low46.9Very low65 Ų65153 Ų15367%0.6781%0.812SS**  cis167.8160.1-4.500000109.6
100I45.9Very low46.7Very low170 Ų170150 Ų15087%0.87281%0.813SS**  trans94.190.5173.2-51.3158.7000113.9
101R44.8Very low46.9Very low215 Ų215144.4 Ų144.481%0.81181%0.806SS**  55.9110.570.8-62.3-173.6178.8-174.20.9112.7
102Q50.8Low46.8Very low190 Ų190144.5 Ų144.589%0.88881%0.812SS**  -159.2115.375.7-71.1166.6-1.400108.4
103R43.8Very low46.6Very low210 Ų210139.6 Ų139.679%0.79281%0.806SS**  53.6109.485.2-67.5-168.2-179.4-166.7-1.5116.1
104F45.8Very low46.8Very low201 Ų201143.5 Ų143.588%0.88282%0.815SS**  -166.5106.2118.5-92-71000109.5
105D43.2Very low47Very low156 Ų156145 Ų14583%0.83481%0.811SS**  trans-101147.7157.4-63.2-51.1000107.4
106L50.4Low46.7Very low156 Ų156152.7 Ų152.782%0.81782%0.82SS**  trans168.295.6157.4-88.6146.3000105.8
107E42.5Very low46.7Very low191 Ų191151.8 Ų151.889%0.89382%0.817SS**  75.1137.178.4-154.4146.1-151.400114.2
108A42.6Very low46.9Very low98 Ų98155.5 Ų155.581%0.8182%0.819SS**  trans-66.9155.1-160.400000116.6
109A45.3Very low46.6Very low93 Ų93152.7 Ų152.777%0.76980%0.802SS**  trans167.3112.8134.700000112.8
110D46.6Very low46.4Very low164 Ų164158.6 Ų158.688%0.87781%0.812SS**  trans52.3155.1130.8-74.8-12.5000125.1
111P51.9Low46.5Very low111 Ų111159.4 Ų159.472%0.72180%0.804SS**  trans-110.8158.1-144.839.8-30.6000114.4
112S43.3Very low46.4Very low118 Ų118156.3 Ų156.383%0.82580%0.799SS**  trans176.6136.2141.1470000113.9
113A45.5Very low46.1Very low85 Ų85154.4 Ų154.470%0.70279%0.794SS**  trans65.5105.8139.200000120.1
114K49.9Very low45.9Very low189 Ų189152.1 Ų152.182%0.82280%0.797SS**  164.5120.698.3-89.1170.9-174.3172.30112.7
115Q52.2Low45.6Very low177 Ų177146.2 Ų146.283%0.82779%0.794SS**  trans67.3104.7135.4-57.2-158.9-28.100120.1
116R41.7Very low45.5Very low256 Ų256146.8 Ų146.897%0.96680%0.796SS**  trans-155.692.2130.6-104.4165.8-177-167.70.3110
117S52.5Low45.1Very low105 Ų105148.5 Ų148.573%0.73480%0.798SS**  trans-67.5147.7158.755.80000108.9
118Q50Low45.1Very low164 Ų164143 Ų14377%0.76679%0.785SS**  cis-157.5122.943.4-79.4-167.6-18.400109.5
119T44.4Very low45.1Very low92 Ų92145.8 Ų145.856%0.56479%0.786SS**  77.289.311368.40000117
120E42.1Very low44.8Very low190 Ų190149.1 Ų149.189%0.88879%0.791SS**  -67135.9125.8-63.8-178159.600107.6
121R46.7Very low44.7Very low186 Ų186150 Ų15070%0.70279%0.79SS**  trans-176.3123.9161.5-110.5-175.4-88.9169.2-3.4113.6
122H42.8Very low44.2Very low150 Ų150154 Ų15469%0.69480%0.796SS**  trans84.5106.8153-44.6-54.1000117.1
123L45.7Very low44.3Very low150 Ų150154.4 Ų154.479%0.78579%0.793SS**  51.411471.8-71.1167.2000114.3
124N39.7Very low44.3Very low162 Ų162156.9 Ų156.987%0.86679%0.794SS**  trans40.5114144-66.8-6.9000118.4
125G39.6Very low43.8Very low78 Ų78153.3 Ų153.380%0.80479%0.793SS**  trans-17894.1165.300000112.3
126N40.2Very low43.2Very low167 Ų167150.7 Ų150.789%0.89380%0.795SS**  trans-49.8155.4161.9-78.4-47.4000111.6
127K41.5Very low43.4Very low193 Ų193144 Ų14484%0.83978%0.784SS**  trans112.3116139.7-156117.9-179.1174.80115.5
128A42.7Very low42.5Very low75 Ų75149.3 Ų149.362%0.6280%0.795SS**  trans64.9136.9152.300000114.5
129D43.9Very low42Very low156 Ų156144.9 Ų144.983%0.83479%0.793SS**  -157.9147.860.8-73.9-52.1000112
130N38.6Very low42Very low164 Ų164147.9 Ų147.988%0.87780%0.8SS**  trans-86.9122.8166.3-84.3-56.6000109.3
131E44.6Very low41.8Very low183 Ų183147.1 Ų147.186%0.85580%0.795SS**  trans-138.2102.1153.7-73.6-171150.200106.5
132K41.5Very low41.6Very low194 Ų194141.2 Ų141.284%0.84379%0.792SS**  37.511491.2-79-176.9178.2178.60112.6
133V45.5Very low41.8Very low127 Ų127145.2 Ų145.277%0.7780%0.8SS**  -174.5104.7119.2174.30000108.2
134D44.8Very low41.8Very low136 Ų136142 Ų14273%0.72779%0.79SS**  47.2133.7125.6-49.2-33.4000123.4
135S40.1Very low42Very low115 Ų115145.2 Ų145.280%0.80479%0.79SS**  trans88.6101.7136.9-58.60000119.9
136S38.8Very low42.3Very low122 Ų122145.7 Ų145.785%0.85379%0.787SS**  trans-57153.3151.8-48.50000111.2
137P45.6Very low42.7Very low115 Ų115149.6 Ų149.675%0.74779%0.789SS**  -150.7153.6103.834.9-16.3000115.8
138F34Very low42.8Very low217 Ų217143.7 Ų143.795%0.95278%0.783SS**  trans31.1131.2138.2-92.4-100.6000122.1
139G39.4Very low43Very low71 Ų71150.6 Ų150.673%0.73279%0.793SS**  trans129.1133.9159.900000110.6
140E44.1Very low43.1Very low154 Ų154148.9 Ų148.972%0.7279%0.79SS**  cis-175.7160.211.9-163.4169.5165.500107.3
141F38.8Very low43.4Very low175 Ų175151.3 Ų151.377%0.76879%0.787SS**  trans74.3122.9168.6-51.9-75.9000118.6
142G41.3Very low43.4Very low62 Ų62147.1 Ų147.164%0.63978%0.784SS**  cis173.6155.30.500000112.3
143R47.3Very low43.5Very low233 Ų233150.1 Ų150.188%0.87979%0.79SS**  trans68.5126.4152-47.6178.9-160.7-1170.7116.2
144S46.8Very low43.2Very low82 Ų82147.6 Ų147.657%0.57379%0.789SS**  cis-177.9139.7-1.9220000108.8
145R43.7Very low43.4Very low230 Ų230146.5 Ų146.587%0.86879%0.79SS**  trans70.9108.6139.9-63.7169.4-168129.6-1.2117.2
146A46.2Very low43.6Very low88 Ų88152.8 Ų152.873%0.72780%0.796SS**  104.9131.482.900000108.2
147R46.7Very low44Very low249 Ų249153.4 Ų153.494%0.9479%0.788SS**  cis-158.7153.67.9-75.1144.9-175.5-177.52.9102.4
148G43.8Very low43.8Very low70 Ų70153.9 Ų153.972%0.72278%0.784SS**  cis159.1156.714.600000107.5
149R48.1Very low44.1Very low220 Ų220154.3 Ų154.383%0.8378%0.78SS**  trans99.1101.5166.8-64.5-172.1153.4-163-2.1119.4
150P45.1Very low44.2Very low119 Ų119153.8 Ų153.877%0.77378%0.775SS**  trans-104.7151.515236.1-25.1000112
151R46.2Very low44.4Very low215 Ų215152.7 Ų152.781%0.81178%0.779SS**  trans-150.7103.5158.7-73.7-170.2168.9125.7-4.5106.1
152A43.1Very low44.6Very low95 Ų95150.6 Ų150.679%0.78578%0.775SS**  69.8101.258.600000114.2
153R43.8Very low44.4Very low258 Ų258158.2 Ų158.297%0.97478%0.784SS**  trans163120148.8-93.6178.9-175.7179.41.8105.9
154G40.7Very low43.9Very low73 Ų73150.8 Ų150.875%0.75378%0.78SS**  cis153.515714.600000107
155P47.4Very low43.5Very low114 Ų114151.3 Ų151.374%0.7479%0.789SS**  trans-119.6159.6-140.938.3-26.4000116.1
156R45.5Very low43Very low246 Ų246148.5 Ų148.593%0.92879%0.79SS**  trans-156.9100.1154.9-65.5-168.5178.4150.3-1.2107.7
157I46.1Very low42.4Very low136 Ų136149 Ų14970%0.69779%0.789SS**  72.8123.971.6-61.2173.5000113.9
158N42.9Very low42Very low124 Ų124142.6 Ų142.666%0.66378%0.777SS**  trans88.7129.3167.7-62.8-26.9000117.1
159R39.6Very low41.7Very low226 Ų226148.8 Ų148.885%0.85379%0.787SS**  cis-170.3147.24.6-118.8177.8-140.41571.4108.3
160G41.7Very low41.1Very low61 Ų61145.4 Ų145.463%0.62979%0.786SS**  trans106.679164.900000114
161T48.5Very low40.6Very low130 Ų130144.7 Ų144.780%0.79879%0.789SS**  62.4132.898.361.10000113.3
162L42.2Very low40.1Very low131 Ų131138.6 Ų138.669%0.68679%0.785SS**  cis-176.4138.33.1-111.3155.4000103.9
163R37.5Very low40.2Very low223 Ų223142.6 Ų142.684%0.84279%0.791SS**  trans56.1121.7151.3-66172-176.9-172.6-0.7118.1
164G37.3Very low40.3Very low76 Ų76135.5 Ų135.578%0.78478%0.777SS**  cis72.97634.400000111.3
165A36.6Very low40.1Very low93 Ų93139.2 Ų139.277%0.76978%0.779SS**  trans171.5122.8143.900000110.5
166L34.3Very low40Very low171 Ų171139.1 Ų139.190%0.89578%0.782SS**  trans35.5137.4145.2-97.567.5000121.7
167S33.8Very low39.9Very low100 Ų100134.3 Ų134.370%0.69977%0.774SS**  trans96.6126140-1570000117.9
168T38.7Very low39.7Very low113 Ų113133.4 Ų133.469%0.69377%0.771SS**  trans60.598.1150.749.40000117.9D170T168-D170 PolarHBondContact O-N 3.38Å; T168-D170 VanDerWaalsContact O-N 3.1Å
169H36Very low39.6Very low201 Ų201135 Ų13593%0.93177%0.772SS**  trans-78.677.4158.6-75.3-69.1000109.5
170D35.3Very low39.5Very low149 Ų149135.3 Ų135.380%0.79778%0.775SS**  trans-140.9132.2162.1-88.1-42.2000108.1T168T168-D170 PolarHBondContact O-N 3.38Å; T168-D170 VanDerWaalsContact O-N 3.1Å
171A35.6Very low39.4Very low103 Ų103135.3 Ų135.385%0.85178%0.775SS**  trans65.7106.5168.100000119.4
172A35.8Very low38.8Very low87 Ų87136.6 Ų136.672%0.71978%0.777SS**  trans165.379131.800000111.6
173I44.5Very low39.1Very low179 Ų179135.1 Ų135.192%0.91878%0.778SS**  trans-115.686.8147.2-61.9178.1000104.7
174T46.7Very low39.3Very low109 Ų109132.4 Ų132.467%0.66978%0.779SS**  trans-74.6124.1176.349.70000109.6
175D37.1Very low39.8Very low151 Ų151133.4 Ų133.481%0.80777%0.774SS**  29.9103.8128-58.8-26.8000117.1
176S43.7Very low40.4Very low113 Ų113134.6 Ų134.679%0.7977%0.774SS**  trans-165.996.5149.5-73.80000110.8
177N43.5Very low40.9Very low144 Ų144132.3 Ų132.377%0.7777%0.767SS**  trans60.7111.2150.9-69.7-17.5000119.1
178D43.4Very low41.4Very low118 Ų118137.6 Ų137.663%0.63177%0.771SS**  70.8126.273.1-89.3-1000115
179K39.8Very low41.8Very low158 Ų158139 Ų13969%0.68778%0.775SS**  trans93.497.5141.1-71.4161.4-176.3128.20118.3
180Y37.1Very low42.5Very low231 Ų231135.7 Ų135.791%0.90676%0.764SS**  trans79.3130.7153.4-56.7-78.5000118.8
181G39.4Very low43.1Very low62 Ų62134.5 Ų134.564%0.63976%0.758SS**  trans126.964.8164.300000112.3S183G181-S183 PolarHBondContact O-N 3.37Å
182D37.6Very low44Very low157 Ų157135.1 Ų135.184%0.8475%0.75SS**  14.282.491.9-158.213.7000114
183S48.4Very low44.6Very low99 Ų99138.6 Ų138.669%0.69275%0.754SS**  trans-156.389.415546.60000109.2G181 S185G181-S183 PolarHBondContact O-N 3.37Å; S183-S185 VanDerWaalsContact C-N 3.35Å; S183-S185 PolarHBondContact O-N 2.72Å
184L39.9Very low45Very low167 Ų167136.6 Ų136.687%0.87475%0.745SS**  trans-52.198.7158.9-70162.2000108.5
185S48.3Very low44.8Very low97 Ų97141.2 Ų141.268%0.67875%0.751SS**  trans-87.4122.816651.90000108.1S183 V187S183-S185 VanDerWaalsContact C-N 3.35Å; S183-S185 PolarHBondContact O-N 2.72Å; S185-V187 PolarHBondContact O-N 3.08Å
186P49.2Very low45.3Very low117 Ų117142.8 Ų142.876%0.7675%0.751SS**  trans-70.8110175.327.9-29.5000107.5R188P186-R188 PolarHBondContact O-N 2.93Å; P186-R188 VanDerWaalsContact O-N 3.09Å
187V45.3Very low45.3Very low124 Ų124144.7 Ų144.775%0.75275%0.752SS**  trans-56116169.5176.70000107.5S185 N189S185-V187 PolarHBondContact O-N 3.08Å; V187-N189 PolarHBondContact O-N 2.93Å
188R43.9Very low45.6Very low211 Ų211143.3 Ų143.380%0.79675%0.749SS**  trans-60.9127.8176.9-69.7174.3175159.1-2.4108.9P186 D190P186-R188 PolarHBondContact O-N 2.93Å; P186-R188 VanDerWaalsContact O-N 3.09Å; R188-D190 PolarHBondContact O-N 2.86Å
189N47.7Very low45.8Very low143 Ų143143.8 Ų143.877%0.76576%0.756SS**THydrogen-bonded Turntrans-73.615.6-175.4-72.4-48.5000114.4V187V187-N189 PolarHBondContact O-N 2.93Å
190D50.6Low45.9Very low130 Ų130145.3 Ų145.370%0.69577%0.768SS**THydrogen-bonded Turntrans-100.8-10.8-166.3-64-41.4000115.1R188R188-D190 PolarHBondContact O-N 2.86Å
191D48.8Very low46.1Very low125 Ų125145.8 Ų145.867%0.66877%0.768SS**SBendtrans-100.3-5.4-177.4-66.6-36.7000114.6M193D191-M193 VanDerWaalsContact C-N 3.29Å; D191-M193 PolarHBondContact O-N 3.04Å
192V52.9Low46.4Very low115 Ų115149.9 Ų149.970%0.69778%0.781SS**THydrogen-bonded Turntrans-80.1-8.5-177.7-178.70000112.9
193M49.9Very low46.5Very low161 Ų161145.7 Ų145.779%0.79378%0.775SS**THydrogen-bonded Turntrans-101.9-3.8-176-68.8-61.7176.300115.5D191D191-M193 VanDerWaalsContact C-N 3.29Å; D191-M193 PolarHBondContact O-N 3.04Å
194N51.1Low46.2Very low137 Ų137146.8 Ų146.873%0.73378%0.78SS**SBendtrans-110.15-172.8-105.4-9.8000116.7
195Y43.1Very low46.5Very low205 Ų205149.9 Ų149.980%0.80478%0.78SS**SBendtrans-110.415.9-178.5-82.4-80.4000115.8
196K47.2Very low46.4Very low184 Ų184152.5 Ų152.580%0.879%0.786SS**SBendtrans-112.4-0.3179-79.8177.9178.1169.10116.1
197N44.9Very low46Very low153 Ų153150.4 Ų150.482%0.81879%0.786SS**SBendtrans-117.817.3-170.2-80.3-7.8000116.4
198T48.4Very low46Very low115 Ų115154.8 Ų154.871%0.70679%0.789SS**SBendtrans-129.67.1-171.649.70000117.2
199V47.6Very low46.2Very low128 Ų128152 Ų15278%0.77679%0.785SS**SBendtrans-124.717.5-176.5-1730000114.7
200M43.4Very low46.2Very low191 Ų191156.7 Ų156.794%0.94179%0.792SS**  trans-120.332.1-178.9-67.9-63.7177.900114.8
201R40.8Very low45.7Very low240 Ų240154.6 Ų154.691%0.90680%0.802SS**  trans-121.846.1-176.4-146.1179.7-152-104.63.8114.5
202T44.6Very low45.6Very low148 Ų148152.1 Ų152.191%0.90881%0.805SS**SBendtrans-153.4110.4165.4-340000113.1
203G40.6Very low45.2Very low70 Ų70158.7 Ų158.772%0.72282%0.817SS**  trans119.9101.2145.800000118.3
204P42.4Very low45.1Very low121 Ų121153.7 Ų153.779%0.78681%0.807SS**  trans-92.4123.3165.933.6-24.7000110.1
205R46.4Very low45Very low232 Ų232157.8 Ų157.888%0.87581%0.812SS**  trans-146.1102.7164-73.2-167.9175.1146.2-1.1111.6
206N44.7Very low45.3Very low152 Ų152155.7 Ų155.781%0.81381%0.813SS**  46.999123.8-48.4-20.5000114.3
207G41Very low45.6Very low73 Ų73149.6 Ų149.675%0.75380%0.802SS**  7295.375.500000109.7
208R45.8Very low46Very low217 Ų217147.4 Ų147.482%0.81980%0.797SS**  trans-162.3116.3152.8-101.2178.5-163.4-165.33.4110.6
209Q49.1Very low46.4Very low151 Ų151148.5 Ų148.571%0.70680%0.803SS**  trans77.592.9134.2-60.2160.72.900115.5
210R46.4Very low47.1Very low242 Ų242151.3 Ų151.391%0.91380%0.799SS**  79.7112.898.4-96.4-175.4173.8160.8-1.5112G212R210-G212 PolarHBondContact O-N 3.49Å
211G39.6Very low48.1Very low87 Ų87145.2 Ų145.290%0.89779%0.786SS**  trans-49.8134.7161.700000110.9
212G46.9Very low49.5Very low72 Ų72144.8 Ų144.874%0.74278%0.784SS**  trans-154100.8179.900000108.3R210 G214R210-G212 PolarHBondContact O-N 3.49Å; G212-G214 PolarHBondContact O-N 3.34Å
213R46Very low50.8Low253 Ų253143.1 Ų143.196%0.95577%0.766SS**  trans-51.8132.3170.3-73178.8177.2156.7-1.8110.3
214G46.4Very low52.1Low56 Ų56145.3 Ų145.358%0.57776%0.756SS**  trans72.1107.314500000116.5G212G212-G214 PolarHBondContact O-N 3.34Å
215R48.8Very low53.6Low223 Ų223146.3 Ų146.384%0.84276%0.755SS**  trans-166.9111.8132.7-83.8-33.7-168.6-980.7110.8
216I49.7Very low55.2Low162 Ų162146.9 Ų146.983%0.83176%0.757SS**  trans75.794.9130.1-52161.5000117.3
217G55Low56.6Low55 Ų55146 Ų14657%0.56775%0.748SS**  trans-168.4125.7154.600000108.2V219G217-V219 PolarHBondContact O-N 3.09Å
218P52Low57.9Low108 Ų108146.7 Ų146.770%0.70174%0.741SS**  trans-7595.5-165.130.4-33.7000111.1R220P218-R220 HydrophobicContact CB-CB 4.4Å; P218-R220 HydrophobicContact CB-CG 4.28Å; P218-R220 PolarHBondContact O-N 3.15Å
219V57.9Low58.9Low137 Ų137139.9 Ų139.983%0.8374%0.739SS**  trans-72.866.6161.2-173.60000107.9G217G217-V219 PolarHBondContact O-N 3.09Å
220R61.3Low59.9Low187 Ų187138.6 Ų138.671%0.70673%0.734SS**  trans-117.812.8-176.5-73.8-169.4176.5120.6-2.5114.2P218P218-R220 HydrophobicContact CB-CB 4.4Å; P218-R220 HydrophobicContact CB-CG 4.28Å; P218-R220 PolarHBondContact O-N 3.15Å
221G63.9Low60.6Low64 Ų64135 Ų13566%0.6673%0.728SS**SBendtrans-105.8-19.3-172.800000117.5
222R71.8Confident61.7Low230 Ų230139.1 Ų139.187%0.86872%0.721SS**SBendtrans-112.1-10.1-172.7-65.3179.4-177.8-103.4-0.8114.9F224R222-F224 VanDerWaalsContact C-N 3.3Å
223Q70.6Confident62.3Low114 Ų114139.1 Ų139.153%0.53371%0.71SS.*SBendtrans-79.8-15.2178.565.1-170.8-1600113
224F68.8Low62.9Low116 Ų116137.9 Ų137.951%0.50971%0.705SS.*SBendtrans-105.1-8.2179.8-53.2-67000113.2R222 R226 Q227R222-F224 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 3.41Å; F224-Q227 CarbonylContact O-C 3.6Å; F224-Q227 PolarHBondContact O-N 2.87Å
225D73.4Confident63.5Low141 Ų141139.9 Ų139.975%0.75471%0.706SS**THydrogen-bonded Turntrans-69.1-22.3-174.5-164.937.2000113.3
226R79.9Confident64.2Low244 Ų244139.8 Ų139.892%0.92171%0.706SS**THydrogen-bonded Turntrans-101.7-6170.3-64.7-170.7178.5-160.5-2.2113.7F224F224-R226 PolarHBondContact O-N 3.41Å
227Q74.2Confident65.1Low133 Ų133138.2 Ų138.262%0.62171%0.706SS**SBendtrans-103.3109.6176.6-63-150.4-43.700107.4F224 G229F224-Q227 CarbonylContact O-C 3.6Å; F224-Q227 PolarHBondContact O-N 2.87Å; Q227-G229 PolarHBondContact O-N 2.83Å
228S69.3Low65.5Low88 Ų88139.9 Ų139.962%0.61571%0.705SS**  trans-45.6107.1175.1-177.90000110.1M230S228-M230 PolarHBondContact O-N 2.97Å
229G66.6Low66.1Low74 Ų74141.5 Ų141.576%0.76371%0.708SS**  trans-73.711.9-17500000113.5Q227 E231Q227-G229 PolarHBondContact O-N 2.83Å; G229-E231 PolarHBondContact O-N 2.73Å
230M68.9Low66.3Low124 Ų124143.4 Ų143.461%0.61171%0.705SS**  trans-80.4101.2175-81.4155.6151.200109S228 K232 S233S228-M230 PolarHBondContact O-N 2.97Å; M230-K232 PolarHBondContact O-N 2.78Å; M230-S233 WeakPolarHBondContact O-CB 3.38Å; M230-S233 PolarHBondContact O-N 3.23Å; M230-S233 PolarHBondContact O-OG 2.93Å
231E61.7Low66.3Low166 Ų166145.2 Ų145.278%0.77671%0.712SS**G310 helixtrans-53.8-12.4165.2-68.9179.615800113.1G229 S233G229-E231 PolarHBondContact O-N 2.73Å; E231-S233 VanDerWaalsContact C-N 3.35Å
232K62.1Low66Low174 Ų174150 Ų15076%0.75772%0.722SS**G310 helixtrans-76.2-14.1171.9-60.1100-179.1-175.70114.3M230 R234M230-K232 PolarHBondContact O-N 2.78Å; K232-R234 VanDerWaalsContact C-N 3.26Å; K232-R234 PolarHBondContact O-N 2.85Å
233S59.4Low65.5Low73 Ų73140.9 Ų140.951%0.5170%0.7SS.*G310 helixtrans-79.5-1.3177.965.30000114.4M230 E231 V235M230-S233 WeakPolarHBondContact O-CB 3.38Å; M230-S233 PolarHBondContact O-N 3.23Å; M230-S233 PolarHBondContact O-OG 2.93Å; E231-S233 VanDerWaalsContact C-N 3.35Å; S233-V235 PolarHBondContact O-N 2.77Å
234R59.1Low64.9Low227 Ų227139.6 Ų139.686%0.85771%0.708SS**G310 helixtrans-69.8-16.7172-69.5-176179.3-1302.2112.9K232K232-R234 VanDerWaalsContact C-N 3.26Å; K232-R234 PolarHBondContact O-N 2.85Å
235V59.9Low64.5Low98 Ų98135.7 Ų135.759%0.59470%0.701SS**SBendtrans-83.6117.1163.7-173.20000105.6S233 T238S233-V235 PolarHBondContact O-N 2.77Å; V235-T238 HydrophobicContact CG1-CG2 3.87Å
236R62.9Low64.1Low221 Ų221136 Ų13683%0.83470%0.698SS**  trans-44.2136.4170.3-75.8-163.7170.5172.7-1107.8T238R236-T238 VanDerWaalsContact C-N 3.34Å; R236-T238 PolarHBondContact O-N 2.88Å
237P69.2Low63.4Low129 Ų129133.8 Ų133.884%0.83869%0.691SS**  trans-46.4105.6175.7-23.931.7000107.5D239P237-D239 PolarHBondContact O-N 2.94Å; P237-D239 VanDerWaalsContact O-N 3.15Å
238T62.1Low63.2Low89 Ų89131.7 Ų131.755%0.54668%0.684SS.*  trans-71.6119.3-175.547.80000105.3V235 R236 K240V235-T238 HydrophobicContact CG1-CG2 3.87Å; R236-T238 VanDerWaalsContact C-N 3.34Å; R236-T238 PolarHBondContact O-N 2.88Å; T238-K240 PolarHBondContact O-N 3Å
239D65.7Low63.1Low143 Ų143138.3 Ų138.377%0.76570%0.696SS**  trans-65.674.3178.4-153.38.6000109.3P237P237-D239 PolarHBondContact O-N 2.94Å; P237-D239 VanDerWaalsContact O-N 3.15Å
240K62.2Low63.4Low176 Ų176136.8 Ų136.877%0.76568%0.681SS**  trans-129.752.8-174.3-67.3-169.1-180-171.60110.6T238T238-K240 PolarHBondContact O-N 3Å
241R59.7Low63.4Low225 Ų225132.3 Ų132.385%0.84966%0.66SS**SBendtrans164.8130.7151.9-105.9172.6166.1137.2-3.8107.1G243R241-G243 VanDerWaalsContact O-CA 3.27Å; R241-G243 WeakPolarHBondContact O-CA 3.43Å; R241-G243 PolarHBondContact O-N 3.03Å
242D59.2Low63.7Low166 Ų166128.8 Ų128.889%0.88866%0.659SS**SBendtrans-45.173179.6-53.5-70.2000113.6N248D242-N248 PolarHBondContact O-ND2 2.92Å
243G61.6Low64Low38 Ų38123.5 Ų123.539%0.39265%0.648SS.*  trans-142.5-23-152.800000115R241 N248R241-G243 VanDerWaalsContact O-CA 3.27Å; R241-G243 WeakPolarHBondContact O-CA 3.43Å; R241-G243 PolarHBondContact O-N 3.03Å; G243-N248 WeakPolarHBondContact CA-ND2 3.46Å; G243-N248 PolarHBondContact O-ND2 3.04Å
244A56.5Low64.5Low86 Ų86123.6 Ų123.671%0.71164%0.643SS**  trans-133.356-16900000111.6
245G61.2Low64.9Low35 Ų35120.2 Ų120.236%0.36164%0.637SS.*SBendtrans-112158.7169.400000111Y247 N248G245-Y247 PolarHBondContact O-N 3.34Å; G245-N248 PolarHBondContact O-N 3.41Å
246Q65.5Low65.1Low148 Ų148122 Ų12269%0.69264%0.643SS**THydrogen-bonded Turntrans-53.6-21.9170.1174.3163.76.400112.7T251Q246-T251 HydrophobicContact CG-CG2 3.32Å
247Y63.6Low65.1Low196 Ų196114.5 Ų114.577%0.76962%0.621SS**THydrogen-bonded Turntrans-79.1-11.7174.2-62.3-78.1000115G245G245-Y247 PolarHBondContact O-N 3.34Å
248N69.9Low64.7Low90 Ų90110.9 Ų110.948%0.48161%0.607SS.*SBendtrans-94.5-10.9178.6-95.810.9000114.4D242 G243 G245D242-N248 PolarHBondContact O-ND2 2.92Å; G243-N248 WeakPolarHBondContact CA-ND2 3.46Å; G243-N248 PolarHBondContact O-ND2 3.04Å; G245-N248 PolarHBondContact O-N 3.41Å
249W68.3Low64.6Low226 Ų226114.9 Ų114.986%0.85662%0.619SS**SBendtrans-117.513.8-179.3-69.885.8000112.5
250G72.4Confident64.3Low43 Ų43113.4 Ų113.444%0.44362%0.616SS.*  trans65.9132.7-170.600000110.9
251T69.3Low64Low29 Ų29111.9 Ų111.918%0.17861%0.611CS.*  trans-79.6155.2160.951.70000109.6Q246 A253 D254Q246-T251 HydrophobicContact CG-CG2 3.32Å; T251-A253 PolarHBondContact O-N 3.21Å; T251-D254 PolarHBondContact N-OD2 3.29Å; T251-D254 WeakPolarHBondContact O-CB 3.28Å; T251-D254 PolarHBondContact O-N 3.15Å; T251-D254 PolarHBondContact OG1-N 3.47Å; T251-D254 PolarHBondContact OG1-OD2 2.76Å
252A67.9Low63.5Low92 Ų92109.4 Ų109.476%0.7661%0.609SS**THydrogen-bonded Turntrans-58.4-12.8169.900000112.9
253A67.8Low62.8Low63 Ų63109 Ų10952%0.52161%0.606SS.*THydrogen-bonded Turntrans-82.8-2717100000113.2T251 E255 L256 V257T251-A253 PolarHBondContact O-N 3.21Å; A253-E255 VanDerWaalsContact C-N 3.3Å; A253-E255 PolarHBondContact O-N 3.29Å; A253-L256 PolarHBondContact O-N 3.37Å; A253-V257 PolarHBondContact O-N 3.3Å
254D70.4Confident61.6Low75 Ų75113.6 Ų113.640%0.40163%0.627SS.*Hα-helixtrans-70.5-24.6174.8-75.4-41.6000112.3T251 L256 V257 G258T251-D254 PolarHBondContact N-OD2 3.29Å; T251-D254 WeakPolarHBondContact O-CB 3.28Å; T251-D254 PolarHBondContact O-N 3.15Å; T251-D254 PolarHBondContact OG1-N 3.47Å; T251-D254 PolarHBondContact OG1-OD2 2.76Å; D254-L256 PolarHBondContact O-N 3.43Å; D254-V257 PolarHBondContact O-N 3.4Å; D254-G258 VanDerWaalsContact O-CA 3.32Å; D254-G258 WeakPolarHBondContact O-CA 3.47Å; D254-G258 PolarHBondContact O-N 3.49Å
255E67.2Low60.8Low156 Ų156115.8 Ų115.873%0.72963%0.632SS**Hα-helixtrans-67.6-27.1174.2-71.2-175.5169.200112.1A253A253-E255 VanDerWaalsContact C-N 3.3Å; A253-E255 PolarHBondContact O-N 3.29Å
256L64.1Low60Low137 Ų137121.6 Ų121.672%0.71766%0.655SS**Hα-helixtrans-86.6-29.3178.2-16871.4000112.7A253 D254A253-L256 PolarHBondContact O-N 3.37Å; D254-L256 PolarHBondContact O-N 3.43Å
257V62.4Low58.9Low63 Ų63123.2 Ų123.238%0.38266%0.662SS.*Hα-helixtrans-90.1-32.9179.51780000111.3A253 D254 E259 T260 E261A253-V257 PolarHBondContact O-N 3.3Å; D254-V257 PolarHBondContact O-N 3.4Å; V257-E259 VanDerWaalsContact C-N 3.29Å; V257-E259 PolarHBondContact O-N 2.84Å; V257-T260 PolarHBondContact O-N 3.2Å; V257-T260 PolarHBondContact O-OG1 3.34Å; V257-E261 HydrophobicContact CG1-CG 4.26Å; V257-E261 PolarHBondContact O-N 3Å
258G61.3Low57.8Low52 Ų52120.1 Ų120.154%0.53666%0.664SS.*THydrogen-bonded Turntrans-69.1-19.3179.700000114.8D254 T260D254-G258 VanDerWaalsContact O-CA 3.32Å; D254-G258 WeakPolarHBondContact O-CA 3.47Å; D254-G258 PolarHBondContact O-N 3.49Å; G258-T260 VanDerWaalsContact C-N 3.33Å
259E59.9Low56.4Low173 Ų173122 Ų12281%0.80868%0.678SS**THydrogen-bonded Turntrans-78.6-16.2169.1-76.9-172.9163.600113V257V257-E259 VanDerWaalsContact C-N 3.29Å; V257-E259 PolarHBondContact O-N 2.84Å
260T59.6Low55.3Low113 Ų113119.2 Ų119.269%0.69368%0.68SS**THydrogen-bonded Turntrans-105.5-8.8-179.451.30000114.6V257 G258V257-T260 PolarHBondContact O-N 3.2Å; V257-T260 PolarHBondContact O-OG1 3.34Å; G258-T260 VanDerWaalsContact C-N 3.33Å
261E56.1Low54Low143 Ų143122 Ų12267%0.66869%0.688SS**  trans-113.368.6179.2-65-172.8176.200110.5V257 L263V257-E261 HydrophobicContact CG1-CG 4.26Å; V257-E261 PolarHBondContact O-N 3Å; E261-L263 PolarHBondContact O-N 2.89Å
262E50.4Low52.8Low174 Ų174126.9 Ų126.981%0.81371%0.714SS**  trans-62.8102156.6-94.2-173.9152.600108.7
263L43.5Very low51.6Low157 Ų157131.3 Ų131.382%0.82272%0.719SS**  trans50.973.6142.9-64.8158.7000116.2E261E261-L263 PolarHBondContact O-N 2.89Å
264T36.8Very low50.6Low134 Ų134133 Ų13382%0.82273%0.732SS**  trans-129.865.5159.651.20000110.9
265T39.1Very low49.4Very low132 Ų132134.8 Ų134.881%0.8175%0.748SS**  trans-121.156.7166.938.90000110.8
266D44.9Very low48.3Very low158 Ų158134.2 Ų134.285%0.84575%0.75SS**  trans-132.383.2160.4-81.2-31.5000107.2
267Q42.1Very low47.4Very low182 Ų182135.5 Ų135.585%0.8575%0.75SS**  trans-175.8107140.2-102.4179.310.500111.7
268T40.3Very low46.6Very low131 Ų131138.7 Ų138.780%0.80477%0.765SS**  trans-29.1125.1152.851.40000114.2
269V40.8Very low45.7Very low129 Ų129141.4 Ų141.478%0.78278%0.775SS**  trans-127.474.6158.3-168.50000107.1
270D45.9Very low44.7Very low167 Ų167139.9 Ų139.989%0.89377%0.773SS**  trans-99.993.4160.7-90.8-31.5000108.2
271T43.7Very low43.8Very low101 Ų101141.2 Ų141.262%0.6278%0.775SS**  trans-20.4138.1150.2-49.40000116.2
272D44.7Very low42.8Very low133 Ų133141 Ų14171%0.71178%0.778SS**  trans96.197.6156.8-56.7-24.1000121.2
273E43.4Very low42.2Very low185 Ų185141.2 Ų141.286%0.86478%0.784SS**  52104.1125.3-61.8-175.6164.500119.9
274A45.3Very low42Very low97 Ų97139.2 Ų139.280%0.80278%0.779SS**  165.7143.5104.900000112
275P46.9Very low42.1Very low113 Ų113140.7 Ų140.773%0.73478%0.776SS**  trans-96.9157.3-162.438.2-32.7000112.1
276N42.8Very low42.1Very low145 Ų145139.2 Ų139.278%0.77577%0.771SS**  trans-172.3122.7139.4-95.9-42.8000113.3
277K45Very low41.8Very low164 Ų164139.7 Ų139.771%0.71377%0.768SS**  81.8110.6130-76.4-175.3172.1178.40121
278D45.5Very low41.6Very low130 Ų130139 Ų13970%0.69577%0.765SS**  80.4100.7122.9-51.4-17.4000116.5
279S42.1Very low41.5Very low108 Ų108138.1 Ų138.176%0.75576%0.76SS**  171.2131.894.448.20000113.3
280N40.1Very low41.4Very low141 Ų141137.7 Ų137.775%0.75476%0.758SS**  trans65.1103139.5-86.6-29.9000119.7
281L39.6Very low40.8Very low142 Ų142137.8 Ų137.874%0.74376%0.758SS**  166.2115.486.1-94.9146.7000112.1
282N36.1Very low40.5Very low137 Ų137136.5 Ų136.573%0.73377%0.765SS**  trans49.499.4141.9-69.3-13.5000120.5
283L37.4Very low40.1Very low180 Ų180135.2 Ų135.294%0.94277%0.773SS**  trans-139.795.7142.2-153.278.1000109.2
284T38.7Very low40.2Very low115 Ų115131.6 Ų131.671%0.70677%0.765SS**  trans-89.8113.6162.647.20000106.4
285E38.8Very low40Very low165 Ų165136.9 Ų136.977%0.77177%0.77SS**  101.8149.677.8-169.7168.4-147.400109.2
286S39.9Very low39.9Very low100 Ų100139 Ų13970%0.69977%0.77SS**  trans85.693.6-176.165.10000114.4
287E37.8Very low39.8Very low169 Ų169142.2 Ų142.279%0.7977%0.771SS**  64130.677.6-63.8179.7162.500109.4
288E38Very low40.2Very low167 Ų167141 Ų14178%0.7878%0.778SS**  cis179.4170.141-151.9174.8170.600106.2
289T39Very low40.8Very low112 Ų112142.3 Ų142.369%0.68778%0.78SS**  trans102.9103157.873.60000119.7
290T38.8Very low41.6Very low121 Ų121145.7 Ų145.774%0.74278%0.783SS**  trans86.293.4130.560.70000119.8
291D34.3Very low42.7Very low168 Ų168142.9 Ų142.990%0.89877%0.768SS**  33.8119.8117.7-60.1-35.9000119.6
292G35.8Very low44.2Very low74 Ų74140.2 Ų140.276%0.76376%0.758SS**  trans138.390.4150.600000115.4
293A37.5Very low45.7Very low107 Ų107140.2 Ų140.288%0.88476%0.757SS**  trans-58.4138.3165.300000111
294P44.5Very low47.2Very low108 Ų108137.3 Ų137.370%0.70174%0.743SS**  -143.2153.9107.635.1-19.2000114.3E296P294-E296 PolarHBondContact O-N 3.15Å
295K40.9Very low48.7Very low209 Ų209136.4 Ų136.491%0.90973%0.73SS**  trans-60.9110.9171-60.7162.1180172.80110
296E44.7Very low50Low157 Ų157136 Ų13673%0.73472%0.722SS**  trans-175102.8170.5-106.6172.7-145.200105.4P294P294-E296 PolarHBondContact O-N 3.15Å
297R40.6Very low51.3Low212 Ų212138 Ų13880%0.872%0.718SS**  -170124.370.7-79151.5-175-130.3-2.5107E299R297-E299 VanDerWaalsContact C-N 3.32Å; R297-E299 PolarHBondContact O-N 2.78Å
298V53.1Low52.7Low140 Ų140133.8 Ų133.885%0.84871%0.712SS**  trans-66.9100.6159.5177.50000104.9E300V298-E300 PolarHBondContact O-N 3Å
299E59.1Low54.1Low157 Ų157133 Ų13373%0.73471%0.706SS**  trans-64.9101.1173.5-72.4179.7167.100108R297 L301R297-E299 VanDerWaalsContact C-N 3.32Å; R297-E299 PolarHBondContact O-N 2.78Å; E299-L301 PolarHBondContact O-N 3.02Å
300E59.8Low55.3Low178 Ų178132.6 Ų132.683%0.83270%0.697SS**  trans-6284167.6-65.1177.3178.200109V298 T302V298-E300 PolarHBondContact O-N 3Å; E300-T302 PolarHBondContact O-N 2.81Å; E300-T302 VanDerWaalsContact O-N 3.15Å
301L63.3Low56.4Low83 Ų83130.3 Ų130.344%0.43569%0.69SS.*  trans-69.1111167.1-68.4172.2000107.7E299 E305E299-L301 PolarHBondContact O-N 3.02Å; L301-E305 HydrophobicContact CD2-CB 4.42Å; L301-E305 WeakPolarHBondContact CD2-OE2 3.39Å
302T70Confident57.7Low86 Ų86128.1 Ų128.153%0.52869%0.685SS.*  trans-63.8151.1176.855.80000110.6E300 D304 E305 W306E300-T302 PolarHBondContact O-N 2.81Å; E300-T302 VanDerWaalsContact O-N 3.15Å; T302-D304 PolarHBondContact O-N 3.03Å; T302-E305 PolarHBondContact O-N 3.19Å; T302-W306 PolarHBondContact O-N 3.19Å
303L67.3Low59.1Low136 Ų136135.7 Ų135.771%0.71269%0.69SS**Hα-helixtrans-51.7-24.6-173.7-73.8171.7000114.4K307L303-K307 WeakPolarHBondContact O-CG 3.05Å; L303-K307 PolarHBondContact O-N 3.49Å; L303-K307 VanDerWaalsContact O-N 3.15Å
304D68.2Low60.5Low120 Ų120136.4 Ų136.464%0.64268%0.684SS**Hα-helixtrans-76.3-29.5179.7-67-21.3000112.4T302 A308T302-D304 PolarHBondContact O-N 3.03Å; D304-A308 WeakPolarHBondContact O-CB 3.36Å; D304-A308 PolarHBondContact O-N 3.46Å; D304-A308 VanDerWaalsContact O-N 3.09Å
305E71.2Confident61.6Low95 Ų95140 Ų14044%0.44469%0.688SS.*Hα-helixtrans-78.9-32.1174.8-64.4178.3158.200111.9L301 T302 A308 K309L301-E305 HydrophobicContact CD2-CB 4.42Å; L301-E305 WeakPolarHBondContact CD2-OE2 3.39Å; T302-E305 PolarHBondContact O-N 3.19Å; E305-A308 PolarHBondContact O-N 3.05Å; E305-K309 PolarHBondContact O-N 3.46Å; E305-K309 VanDerWaalsContact O-N 3.08Å
306W65.2Low63.2Low157 Ų157134.5 Ų134.560%0.59567%0.674SS**Hα-helixtrans-68.6-38.7172.6-165.187.8000111.5T302 A308 K309 Q310T302-W306 PolarHBondContact O-N 3.19Å; W306-A308 VanDerWaalsContact C-N 3.33Å; W306-A308 PolarHBondContact O-N 3.22Å; W306-K309 PolarHBondContact O-N 3.23Å; W306-Q310 HydrophobicContact CD2-CG 4.39Å; W306-Q310 HydrophobicContact CE3-CG 4.02Å; W306-Q310 HydrophobicContact CH2-CG 4.14Å; W306-Q310 HydrophobicContact CZ2-CG 4.47Å; W306-Q310 HydrophobicContact CZ3-CG 3.9Å; W306-Q310 WeakPolarHBondContact O-CG 3.4Å; W306-Q310 PolarHBondContact O-N 3.16Å; W306-Q310 VanDerWaalsContact O-N 3.1Å
307K69Low64.5Low141 Ų141135.3 Ų135.361%0.61368%0.678SS**Hα-helixtrans-67.5-30.3172.3-75.4175.6-177170.30113.1L303L303-K307 WeakPolarHBondContact O-CG 3.05Å; L303-K307 PolarHBondContact O-N 3.49Å; L303-K307 VanDerWaalsContact O-N 3.15Å
308A66.7Low66Low82 Ų82132.6 Ų132.668%0.67867%0.672SS**Hα-helixtrans-73.3-28.1173.400000113.1D304 E305 W306D304-A308 WeakPolarHBondContact O-CB 3.36Å; D304-A308 PolarHBondContact O-N 3.46Å; D304-A308 VanDerWaalsContact O-N 3.09Å; E305-A308 PolarHBondContact O-N 3.05Å; W306-A308 VanDerWaalsContact C-N 3.33Å; W306-A308 PolarHBondContact O-N 3.22Å
309K66.9Low66.8Low149 Ų149133.9 Ų133.965%0.64867%0.674SS**Hα-helixtrans-80-23.6173.8-76.1179.9179174.30113.5E305 W306 A311E305-K309 PolarHBondContact O-N 3.46Å; E305-K309 VanDerWaalsContact O-N 3.08Å; W306-K309 PolarHBondContact O-N 3.23Å; K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.27Å
310Q63.8Low67.6Low105 Ų105131.8 Ų131.849%0.49167%0.672SS.*SBendtrans-75.688.8167.9-66.1-60.8-27.700109.2W306W306-Q310 HydrophobicContact CD2-CG 4.39Å; W306-Q310 HydrophobicContact CE3-CG 4.02Å; W306-Q310 HydrophobicContact CH2-CG 4.14Å; W306-Q310 HydrophobicContact CZ2-CG 4.47Å; W306-Q310 HydrophobicContact CZ3-CG 3.9Å; W306-Q310 WeakPolarHBondContact O-CG 3.4Å; W306-Q310 PolarHBondContact O-N 3.16Å; W306-Q310 VanDerWaalsContact O-N 3.1Å
311A61.9Low68.2Low73 Ų73132.1 Ų132.160%0.60367%0.666SS**  trans-48.2136.2170.100000109.4K309 R313K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.27Å; A311-R313 PolarHBondContact O-N 3.27Å
312P63Low68.8Low121 Ų121135.3 Ų135.379%0.78668%0.676SS**  trans-57.9111.7-177.424.3-32.9000107.8T314P312-T314 PolarHBondContact O-N 2.83Å
313R64.5Low68.7Low234 Ų234137.7 Ų137.788%0.88369%0.693SS**  trans-45111.6-176.8-66.5173.979149.22.6107.6A311 K315A311-R313 PolarHBondContact O-N 3.27Å; R313-K315 PolarHBondContact O-N 3.33Å; R313-K315 VanDerWaalsContact O-N 3.14Å
314T65.8Low68.6Low122 Ų122134.4 Ų134.475%0.74869%0.692SS**  trans-58.1122.8177.1460000106.2P312P312-T314 PolarHBondContact O-N 2.83Å
315K68.9Low68.4Low182 Ų182134.7 Ų134.779%0.79169%0.69SS**  trans-52.1134.5179.6-65.4169.6-176171.70107.2R313 Q317R313-K315 PolarHBondContact O-N 3.33Å; R313-K315 VanDerWaalsContact O-N 3.14Å; K315-Q317 PolarHBondContact O-N 3.3Å
316P74.1Confident67.9Low94 Ų94131.7 Ų131.761%0.6169%0.685SS**  trans-53.1113-177.820.5-31.8000109.2F318P316-F318 VanDerWaalsContact C-N 3.31Å; P316-F318 HydrophobicContact CB-CD2 4.41Å; P316-F318 HydrophobicContact CB-CE2 3.84Å; P316-F318 HydrophobicContact CB-CZ 3.97Å; P316-F318 HydrophobicContact CG-CE2 3.71Å; P316-F318 HydrophobicContact CG-CZ 4.04Å; P316-F318 VanDerWaalsContact O-CD2 3.3Å; P316-F318 WeakPolarHBondContact O-CD2 3.25Å; P316-F318 PolarHBondContact O-N 3.49Å
317Q71.1Confident67.6Low175 Ų175130.2 Ų130.282%0.81869%0.688SS**  trans-78.187.8177.7-116145.1-56.200106.9K315 N319K315-Q317 PolarHBondContact O-N 3.3Å; Q317-N319 PolarHBondContact O-N 2.95Å
318F72Confident67Low155 Ų155127.6 Ų127.668%0.6868%0.684SS**  trans-67.8126.1168.9-61.2-79.4000108.1P316 T320P316-F318 VanDerWaalsContact C-N 3.31Å; P316-F318 HydrophobicContact CB-CD2 4.41Å; P316-F318 HydrophobicContact CB-CE2 3.84Å; P316-F318 HydrophobicContact CB-CZ 3.97Å; P316-F318 HydrophobicContact CG-CE2 3.71Å; P316-F318 HydrophobicContact CG-CZ 4.04Å; P316-F318 VanDerWaalsContact O-CD2 3.3Å; P316-F318 WeakPolarHBondContact O-CD2 3.25Å; P316-F318 PolarHBondContact O-N 3.49Å; F318-T320 HydrophobicContact CB-CG2 4.07Å; F318-T320 PolarHBondContact O-N 2.83Å
319N71.1Confident66.6Low167 Ų167129.5 Ų129.589%0.89368%0.683SS**  trans-69.267.1165.7-74.1-19.6000109.3Q317 R321Q317-N319 PolarHBondContact O-N 2.95Å; N319-R321 PolarHBondContact O-N 3.35Å
320T75.2Confident66.5Low112 Ų112125.8 Ų125.869%0.68768%0.68SS**PPolyproline II helixtrans-76.1116.5166.8480000107.5F318 K322F318-T320 HydrophobicContact CB-CG2 4.07Å; F318-T320 PolarHBondContact O-N 2.83Å; T320-K322 PolarHBondContact O-N 3.22Å
321R73.6Confident66.5Low185 Ų185125.1 Ų125.170%0.69868%0.683SS**PPolyproline II helixtrans-52.6134.1173.6-64.5176.975.2114.21.2108.4N319 E325N319-R321 PolarHBondContact O-N 3.35Å; R321-E325 PolarHBondContact NE-O 3.31Å; R321-E325 PolarHBondContact NH2-O 3.25Å
322K75.7Confident66.7Low150 Ų150128.7 Ų128.765%0.65268%0.681SS**PPolyproline II helixtrans-60.1139.3173.8-64.6-64.5-177.3-176.90108.4T320 G324 E325T320-K322 PolarHBondContact O-N 3.22Å; K322-G324 PolarHBondContact O-N 3.03Å; K322-E325 HydrophobicContact CB-CB 4.35Å; K322-E325 PolarHBondContact O-N 3.24Å
323P66.5Low66.9Low137 Ų137128.3 Ų128.389%0.8968%0.677SS**THydrogen-bonded Turntrans-56.3117.9174.322.8-31.1000108.7
324G66.3Low67.4Low67 Ų67122.9 Ų122.969%0.69167%0.67SS**THydrogen-bonded Turntrans106.7-9.4-176.300000116.1K322 G326K322-G324 PolarHBondContact O-N 3.03Å; G324-G326 PolarHBondContact O-N 3.03Å
325E63.1Low67.8Low125 Ų125123.1 Ų123.158%0.58467%0.666SS**SBendtrans-97.476.4178.2-163.4173.3-16500109.3R321 K322R321-E325 PolarHBondContact NE-O 3.31Å; R321-E325 PolarHBondContact NH2-O 3.25Å; K322-E325 HydrophobicContact CB-CB 4.35Å; K322-E325 PolarHBondContact O-N 3.24Å
326G60.6Low68.2Low33 Ų33120.4 Ų120.434%0.3466%0.664SS.*SBendtrans168.6-22.1-176.200000114.7G324 T328G324-G326 PolarHBondContact O-N 3.03Å; G326-T328 VanDerWaalsContact C-N 3.28Å; G326-T328 PolarHBondContact O-N 3.39Å
327D59.2Low68.3Low125 Ų125121.3 Ų121.367%0.66867%0.67SS**  trans-93.958.7172-63.5-27.3000109.9N329D327-N329 PolarHBondContact O-N 3.43Å
328T56.4Low68.5Low87 Ų87118.5 Ų118.553%0.53466%0.66SS.*  trans-79.8113.2162.355.40000107.1G326 A330 T331G326-T328 VanDerWaalsContact C-N 3.28Å; G326-T328 PolarHBondContact O-N 3.39Å; T328-A330 PolarHBondContact O-N 3.32Å; T328-T331 PolarHBondContact O-N 3.33Å; T328-T331 VanDerWaalsContact O-N 3.1Å; T328-T331 PolarHBondContact O-OG1 3.01Å
329N57.9Low68.5Low122 Ų122117.1 Ų117.165%0.65266%0.656SS**G310 helixtrans-49.7-7.4169.8-66.8-42.6000114.2D327 T331 W332 T333D327-N329 PolarHBondContact O-N 3.43Å; N329-T331 VanDerWaalsContact C-N 3.35Å; N329-W332 PolarHBondContact O-N 2.93Å; N329-T333 WeakPolarHBondContact O-CG2 3.33Å
330A65.5Low68.6Low71 Ų71119.6 Ų119.659%0.58765%0.653SS**G310 helixtrans-67.2-23.8172.900000114.7T328 W332 T333T328-A330 PolarHBondContact O-N 3.32Å; A330-W332 VanDerWaalsContact C-N 3.32Å; A330-T333 PolarHBondContact O-OG1 3.07Å
331T64.6Low68.2Low90 Ų90120.6 Ų120.655%0.55265%0.654SS**G310 helixtrans-80.1-14.5175.951.10000113T328 N329T328-T331 PolarHBondContact O-N 3.33Å; T328-T331 VanDerWaalsContact O-N 3.1Å; T328-T331 PolarHBondContact O-OG1 3.01Å; N329-T331 VanDerWaalsContact C-N 3.35Å
332W66Low67.4Low149 Ų149117.4 Ų117.456%0.56465%0.647SS**SBendtrans-108.52.7-176.8-56.4-21.5000113.9N329 A330 T334 L335N329-W332 PolarHBondContact O-N 2.93Å; A330-W332 VanDerWaalsContact C-N 3.32Å; W332-T334 PolarHBondContact O-N 3.42Å; W332-L335 HydrophobicContact CB-CD1 4.37Å; W332-L335 PolarHBondContact O-N 3.47Å
333T67.4Low66.6Low113 Ų113113.2 Ų113.269%0.69363%0.631SS**THydrogen-bonded Turntrans-70-14.7178.751.70000114N329 A330N329-T333 WeakPolarHBondContact O-CG2 3.33Å; A330-T333 PolarHBondContact O-OG1 3.07Å
334T73.9Confident66Low120 Ų120109.3 Ų109.374%0.73662%0.616SS**THydrogen-bonded Turntrans-88.40.6175.952.90000113.7W332 V336W332-T334 PolarHBondContact O-N 3.42Å; T334-V336 PolarHBondContact O-N 2.88Å
335L74.2Confident65.6Low127 Ų127114.7 Ų114.767%0.66562%0.62SS**  trans-88.3108.8176.7-63.7176.5000110.2W332 P337W332-L335 HydrophobicContact CB-CD1 4.37Å; W332-L335 PolarHBondContact O-N 3.47Å; L335-P337 WeakPolarHBondContact O-CD 3.44Å
336V78.2Confident65.2Low125 Ų125113.5 Ų113.576%0.75862%0.618SS**PPolyproline II helixtrans-71.9122.1169.2177.50000108T334 L338T334-V336 PolarHBondContact O-N 2.88Å; V336-L338 PolarHBondContact O-N 3.44Å; V336-L338 VanDerWaalsContact O-N 3.12Å
337P75.8Confident65Low113 Ų113119.2 Ų119.273%0.73464%0.636SS**PPolyproline II helixtrans-64.5116.1176.324.9-31.4000109.4L335 Q339L335-P337 WeakPolarHBondContact O-CD 3.44Å; P337-Q339 PolarHBondContact O-N 3.32Å
338L74.4Confident64.7Low116 Ų116117.9 Ų117.961%0.60764%0.636SS**PPolyproline II helixtrans-64.4118.1170.9-122.880.6000108.3V336 R340 I343V336-L338 PolarHBondContact O-N 3.44Å; V336-L338 VanDerWaalsContact O-N 3.12Å; L338-R340 PolarHBondContact O-N 2.81Å; L338-I343 HydrophobicContact CB-CD1 4.39Å; L338-I343 HydrophobicContact CD2-CD1 4.16Å; L338-I343 HydrophobicContact CD2-CG1 3.81Å
339Q72.2Confident64.7Low126 Ų126120.4 Ų120.459%0.58965%0.647SS**PPolyproline II helixtrans-62.9123.9173.1-67.5177.3-17.600108.2P337 D341 Q342P337-Q339 PolarHBondContact O-N 3.32Å; Q339-D341 PolarHBondContact O-N 2.73Å; Q339-Q342 PolarHBondContact O-N 2.99Å
340R73Confident64.5Low218 Ų218123.9 Ų123.982%0.82366%0.659SS**Hα-helixtrans-52.5-24.2-178-70.8-177.4-176.4130.40.6113L338 Q342 I343L338-R340 PolarHBondContact O-N 2.81Å; R340-Q342 VanDerWaalsContact C-N 3.27Å; R340-Q342 PolarHBondContact O-N 2.86Å; R340-I343 PolarHBondContact O-N 2.97Å
341D66.8Low64Low133 Ų133127.5 Ų127.571%0.71167%0.668SS**Hα-helixtrans-76.4-12.5-177.9-47-14.1000113.3Q339Q339-D341 PolarHBondContact O-N 2.73Å
342Q58.8Low63.6Low118 Ų118132.1 Ų132.155%0.55168%0.684SS**Hα-helixtrans-95.5-17.8173.1-61.2-173.422.900112.7Q339 R340 K345 N346Q339-Q342 PolarHBondContact O-N 2.99Å; R340-Q342 VanDerWaalsContact C-N 3.27Å; R340-Q342 PolarHBondContact O-N 2.86Å; Q342-K345 PolarHBondContact O-N 3.42Å; Q342-N346 PolarHBondContact O-OD1 2.93Å
343I57.7Low62.7Low62 Ų62133.5 Ų133.532%0.31869%0.694SS.*Hα-helixtrans-75-30.5175.7-59172.5000110.6L338 R340 K345 N346 E347L338-I343 HydrophobicContact CB-CD1 4.39Å; L338-I343 HydrophobicContact CD2-CD1 4.16Å; L338-I343 HydrophobicContact CD2-CG1 3.81Å; R340-I343 PolarHBondContact O-N 2.97Å; I343-K345 PolarHBondContact O-N 3.3Å; I343-N346 VanDerWaalsContact C-OD1 3.28Å; I343-N346 VanDerWaalsContact CA-OD1 3.26Å; I343-N346 WeakPolarHBondContact CA-OD1 3.37Å; I343-N346 PolarHBondContact O-OD1 3.34Å; I343-E347 WeakPolarHBondContact O-CG 3.26Å
344G54.8Low62Low56 Ų56135.7 Ų135.758%0.57770%0.701SS**Hα-helixtrans-74-3.5174.900000115.3
345K57.4Low61.4Low179 Ų179136.1 Ų136.178%0.77870%0.699SS**Hα-helixtrans-113.8-17.5-176-91.7172.4-179.11640114.6Q342 I343Q342-K345 PolarHBondContact O-N 3.42Å; I343-K345 PolarHBondContact O-N 3.3Å
346N54.8Low60.6Low101 Ų101136.5 Ų136.554%0.5470%0.698SS.*Hα-helixtrans-97.3-10.2175.257.3-10.1000113.3Q342 I343 S348Q342-N346 PolarHBondContact O-OD1 2.93Å; I343-N346 VanDerWaalsContact C-OD1 3.28Å; I343-N346 VanDerWaalsContact CA-OD1 3.26Å; I343-N346 WeakPolarHBondContact CA-OD1 3.37Å; I343-N346 PolarHBondContact O-OD1 3.34Å; N346-S348 PolarHBondContact O-N 2.76Å
347E55.2Low59.8Low152 Ų152136.4 Ų136.471%0.7170%0.699SS**THydrogen-bonded Turntrans-73.6-0.4170.9-7117517700113.8I343I343-E347 WeakPolarHBondContact O-CG 3.26Å
348S53.9Low59.2Low97 Ų97137.5 Ų137.568%0.67870%0.695SS**THydrogen-bonded Turntrans-106.710.5-176-171.50000114.4N346N346-S348 PolarHBondContact O-N 2.76Å
349N56.2Low58.4Low141 Ų141137.4 Ų137.475%0.75470%0.701SS**SBendtrans-13326.6-173.9-162.546.5000114.7
350E52.7Low57.5Low195 Ų195142.1 Ų142.191%0.91171%0.713SS**  trans-117.260.8163-87.6-178.8168.700108.9
351D56.1Low56.7Low147 Ų147138.3 Ų138.379%0.78671%0.705SS**  trans-72.1136.9153.4-73.6-47.3000107.5
352E55.9Low56.5Low187 Ų187143.1 Ų143.187%0.87471%0.713SS**  trans101.541161.1-147.8155.9-156.200119.5
353F47.4Very low56.8Low177 Ų177145 Ų14578%0.77672%0.719SS**  trans-138.283149.5-136.3-99.8000111.4D355F353-D355 HydrophobicContact CD1-CB 4.17Å; F353-D355 WeakPolarHBondContact CE1-OD2 3.47Å; F353-D355 PolarHBondContact O-N 2.94Å
354D53.3Low57.4Low159 Ų159150.8 Ų150.885%0.8574%0.742SS**  trans-71.961.2174.6-120.9-14000110.7E356D354-E356 VanDerWaalsContact C-N 3.29Å; D354-E356 PolarHBondContact O-N 2.88Å
355D59.8Low58.2Low129 Ų129156.1 Ų156.169%0.6975%0.752SS**  trans-88.276.2163.6-94.3-18000107.9F353 P357F353-D355 HydrophobicContact CD1-CB 4.17Å; F353-D355 WeakPolarHBondContact CE1-OD2 3.47Å; F353-D355 PolarHBondContact O-N 2.94Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å; D355-P357 VanDerWaalsContact O-N 3.14Å
356E57.3Low59Low136 Ų136152.9 Ų152.964%0.63675%0.747SS**  trans-45.3122.4168.4-78.8-177.9153.100109.1D354 Q358D354-E356 VanDerWaalsContact C-N 3.29Å; D354-E356 PolarHBondContact O-N 2.88Å; E356-Q358 PolarHBondContact O-N 2.9Å
357P62Low60.1Low122 Ų122153.8 Ų153.879%0.79275%0.751SS**  trans-69.985.316829.2-32.3000106.9D355 P359D355-P357 WeakPolarHBondContact O-CD 3.49Å; D355-P357 VanDerWaalsContact O-N 3.14Å; P357-P359 WeakPolarHBondContact O-CD 3.32Å
358Q62.3Low60.9Low137 Ų137153.5 Ų153.564%0.6475%0.754SS**  trans-44.4113.1169.3-80.2-77.7-39.400106.7E356 R360E356-Q358 PolarHBondContact O-N 2.9Å; Q358-R360 PolarHBondContact O-N 3.31Å
359P58.5Low61.9Low114 Ų114154 Ų15474%0.7475%0.748SS**  trans-65.692.4177.2-14.627.7000105.6P357 H361P357-P359 WeakPolarHBondContact O-CD 3.32Å; P359-H361 PolarHBondContact O-N 2.96Å
360R53.6Low62.8Low224 Ų224150.7 Ų150.785%0.84575%0.747SS**  trans-61.495.4168.2-73-178.2-178.9-100.70104Q358 R362Q358-R360 PolarHBondContact O-N 3.31Å; R360-R362 PolarHBondContact O-N 3.28Å
361H56.7Low63.7Low139 Ų139149 Ų14964%0.64474%0.737SS**  trans-39.3107.7166.938.6-119.2000106.1P359 K363P359-H361 PolarHBondContact O-N 2.96Å; H361-K363 PolarHBondContact O-N 3.46Å
362R61.4Low64.6Low234 Ų234146.8 Ų146.888%0.88373%0.733SS**  trans-6886.1163.6-73.5-178.5165.8-171.5-3.8103.8R360 K364R360-R362 PolarHBondContact O-N 3.28Å; R362-K364 PolarHBondContact O-N 2.94Å
363K65.6Low65.3Low157 Ų157146.8 Ų146.868%0.68373%0.73SS**  trans-57.394.8159.4-71.4179.9-177174.70103H361 E365H361-K363 PolarHBondContact O-N 3.46Å; K363-E365 PolarHBondContact O-N 3.36Å
364K69.6Low66.1Low184 Ų184147.7 Ų147.780%0.873%0.729SS**  trans-60.398.8166.3-65.9178.2-177.2178.10102.9R362 V366R362-K364 PolarHBondContact O-N 2.94Å; K364-V366 HydrophobicContact CB-CG2 4.29Å; K364-V366 PolarHBondContact O-N 2.92Å
365E72.4Confident66.1Low167 Ų167146.5 Ų146.578%0.7872%0.722SS**  trans-65.586.8167.5-69-176.6177.500105.3K363 I367K363-E365 PolarHBondContact O-N 3.36Å; E365-I367 HydrophobicContact CB-CG1 4.44Å; E365-I367 PolarHBondContact O-N 3.01Å
366V74.2Confident65.9Low112 Ų112145.2 Ų145.268%0.67972%0.715SS**  trans-71.891.9166.5-178.50000104.4K364 D368K364-V366 HydrophobicContact CB-CG2 4.29Å; K364-V366 PolarHBondContact O-N 2.92Å; V366-D368 PolarHBondContact O-N 3.39Å
367I77.1Confident65.7Low120 Ų120141.6 Ų141.662%0.61571%0.714SS**  trans-78.7107.6169.5-56.2173.7000105.6E365 I369E365-I367 HydrophobicContact CB-CG1 4.44Å; E365-I367 PolarHBondContact O-N 3.01Å; I367-I369 HydrophobicContact CB-CG1 4.36Å; I367-I369 HydrophobicContact CG2-CG1 3.75Å; I367-I369 PolarHBondContact O-N 2.98Å
368D72.4Confident65.3Low145 Ų145140.7 Ų140.778%0.77571%0.707SS**  trans-68.582.6169.2-70.9-20.4000108.5V366 G370V366-D368 PolarHBondContact O-N 3.39Å; D368-G370 VanDerWaalsContact C-N 3.32Å; D368-G370 PolarHBondContact O-N 2.72Å
369I76.2Confident64.7Low109 Ų109143.9 Ų143.956%0.55971%0.713SS**  trans-70.894.9172-57.3175.5000107I367 F371I367-I369 HydrophobicContact CB-CG1 4.36Å; I367-I369 HydrophobicContact CG2-CG1 3.75Å; I367-I369 PolarHBondContact O-N 2.98Å; I369-F371 HydrophobicContact CB-CE2 4.08Å; I369-F371 HydrophobicContact CB-CZ 4.34Å; I369-F371 HydrophobicContact CG2-CD1 4.32Å; I369-F371 HydrophobicContact CG2-CD2 4.12Å; I369-F371 HydrophobicContact CG2-CE1 3.94Å; I369-F371 HydrophobicContact CG2-CE2 3.73Å; I369-F371 HydrophobicContact CG2-CG 4.4Å; I369-F371 HydrophobicContact CG2-CZ 3.63Å; I369-F371 WeakPolarHBondContact O-CD2 3.35Å; I369-F371 PolarHBondContact O-N 2.92Å
370G74Confident64.5Low70 Ų70143.7 Ų143.772%0.72271%0.714SS**  trans-68.193.2170.400000110.3D368 S372D368-G370 VanDerWaalsContact C-N 3.32Å; D368-G370 PolarHBondContact O-N 2.72Å; G370-S372 PolarHBondContact O-N 3.44Å
371F72.2Confident64.6Low160 Ų160141.1 Ų141.170%0.70271%0.712SS**  trans-69.895.8166.5-64.3-79.9000108.8I369 F373I369-F371 HydrophobicContact CB-CE2 4.08Å; I369-F371 HydrophobicContact CB-CZ 4.34Å; I369-F371 HydrophobicContact CG2-CD1 4.32Å; I369-F371 HydrophobicContact CG2-CD2 4.12Å; I369-F371 HydrophobicContact CG2-CE1 3.94Å; I369-F371 HydrophobicContact CG2-CE2 3.73Å; I369-F371 HydrophobicContact CG2-CG 4.4Å; I369-F371 HydrophobicContact CG2-CZ 3.63Å; I369-F371 WeakPolarHBondContact O-CD2 3.35Å; I369-F371 PolarHBondContact O-N 2.92Å; F371-F373 HydrophobicContact CB-CE2 4.49Å
372S73.6Confident64.3Low101 Ų101145 Ų14571%0.70672%0.721SS**  trans-90.8102.7162.766.90000107.9G370 R374G370-S372 PolarHBondContact O-N 3.44Å; S372-R374 PolarHBondContact O-N 3.34Å
373F71.7Confident63.7Low186 Ų186144.4 Ų144.482%0.81672%0.718SS**  trans-62.2107.3160.8-64.4-78.5000106.4F371 D375F371-F373 HydrophobicContact CB-CE2 4.49Å; F373-D375 PolarHBondContact O-N 3.1Å
374R63.1Low62.7Low197 Ų197147.4 Ų147.474%0.74373%0.732SS**  trans-66.497.9155.9-74.1-174.7-179.9177.42.8103.9S372 D376S372-R374 PolarHBondContact O-N 3.34Å; R374-D376 PolarHBondContact O-N 3.08Å
375D55Low61.4Low133 Ų133142 Ų14271%0.71173%0.729SS**  trans-6481.2168.4-160.43.6000106.7F373 G377F373-D375 PolarHBondContact O-N 3.1Å; D375-G377 PolarHBondContact O-N 3.38Å
376D55Low60Low103 Ų103145.4 Ų145.455%0.55174%0.735SS**G310 helixtrans-68.83.7177.7-70.9-32.1000110.7R374 T378 R379R374-D376 PolarHBondContact O-N 3.08Å; D376-T378 PolarHBondContact O-N 3.07Å; D376-T378 VanDerWaalsContact O-N 3.08Å; D376-R379 PolarHBondContact O-N 3.42Å
377G53.2Low58.3Low59 Ų59144 Ų14461%0.60874%0.742SS**G310 helixtrans-66.21.2175.900000116.3D375D375-G377 PolarHBondContact O-N 3.38Å
378T53.1Low56.8Low104 Ų104145.7 Ų145.764%0.63876%0.758SS**G310 helixtrans-116.92.5175.660.90000114.8D376D376-T378 PolarHBondContact O-N 3.07Å; D376-T378 VanDerWaalsContact O-N 3.08Å
379R50.6Low55.5Low204 Ų204142 Ų14277%0.7775%0.754SS**SBendtrans-92.1-6.7-178.6-90.3176.3-170.6170.95.1116D376D376-R379 PolarHBondContact O-N 3.42Å
380S54.8Low54Low109 Ų109149.3 Ų149.376%0.76278%0.775SS**SBendtrans-96.6-7.8177.678.20000115.2
381Q55.4Low52.4Low171 Ų171149.6 Ų149.680%0.79978%0.777SS**SBendtrans-125.39.5-171.2-69.7-160.9-7100117.4
382R49Very low51Low220 Ų220146.1 Ų146.183%0.8377%0.773SS**SBendtrans-13426.8-177.6-63.6-153.8-156-1189.7118.5
383R49.6Very low49.5Very low222 Ų222151.6 Ų151.684%0.83878%0.779SS**  trans-144.870.8165.8-82.9-162.6-108.9-162.8-4.5114.2G385R383-G385 PolarHBondContact O-N 3.31Å
384F44.5Very low48.2Very low219 Ų219155.2 Ų155.296%0.96179%0.788SS**SBendtrans-58.9118.3138-75.8-86.5000107.9
385G42.8Very low47.2Very low72 Ų72149 Ų14974%0.74279%0.785SS**SBendtrans88.571.315800000118.9R383R383-G385 PolarHBondContact O-N 3.31Å
386R42.4Very low46.7Very low238 Ų238148.9 Ų148.990%0.89879%0.789SS**SBendtrans172.1114.4137-105.9-177.9179.6-1571110.7
387G38.4Very low46.2Very low82 Ų82148.9 Ų148.985%0.84579%0.794SS**  trans105.243.1156.600000116.8
388V45.6Very low45.9Very low156 Ų156156.9 Ų156.995%0.94581%0.806SS**  trans-76.2127.7156.9175.40000108.2
389G44.6Very low45.3Very low66 Ų66157.6 Ų157.668%0.6882%0.815SS**  trans85.452.4150.400000118.2G391G389-G391 PolarHBondContact O-N 2.92Å
390R44.5Very low45.2Very low264 Ų264159.7 Ų159.7100%0.99682%0.823SS**SBendtrans-81.597.6148-82.4-168.1175.9126.8-1.1107.9
391G40.8Very low44.5Very low75 Ų75158.6 Ų158.677%0.77383%0.829SS**SBendtrans125.564.9167.800000114.4G389G389-G391 PolarHBondContact O-N 2.92Å
392S44.1Very low44Very low87 Ų87153.4 Ų153.461%0.60882%0.821SS**SBendtrans-169.5136.1146.1-159.10000107.6
393Y41.3Very low43.9Very low217 Ų217152.8 Ų152.885%0.85182%0.819SS**  trans74.860.6-177.7-41.1-73.7000117.8
394R44.5Very low43.6Very low262 Ų262154.7 Ų154.799%0.98983%0.826SS**  trans-124.259.7142.2-75.8-164.1-172.2-148.42.1109.4
395G41.6Very low43.4Very low66 Ų66146.9 Ų146.968%0.6881%0.807SS**  trans-119.268168.900000109.3
396V45.5Very low43.7Very low131 Ų131153 Ų15379%0.79481%0.809SS**  trans-138.399.2159.9-174.50000107.5
397P43.1Very low43.6Very low103 Ų103154 Ų15467%0.66981%0.813SS**  trans-91.1110.9155.632.1-20.4000106.7
398R47.5Very low43.7Very low227 Ų227153.4 Ų153.486%0.85781%0.807SS**  trans162.4114.1153-87.9149.3-167.8154.80.4110.9
399S41.3Very low43.5Very low118 Ų118151.8 Ų151.883%0.82580%0.802SS**  trans53.488.1131-50.40000118.5
400R47.7Very low43.4Very low249 Ų249151.9 Ų151.994%0.9480%0.797SS**  trans-140.366.6139.7-139.9175-163.8165.44.3110G402R400-G402 PolarHBondContact O-N 3.32Å
401G40.1Very low43.2Very low86 Ų86147.7 Ų147.789%0.88779%0.793SS**  trans-62.3112.4150.900000107.2
402G45.4Very low43.2Very low61 Ų61147.7 Ų147.763%0.62979%0.793SS**  trans-157.9108.4-178.600000110.3R400R400-G402 PolarHBondContact O-N 3.32Å
403R45.8Very low43.1Very low208 Ų208149.9 Ų149.979%0.78581%0.808SS**  trans79.759.9160.2-53.9-78.8-117.8-105.8-6117
404R44.6Very low43.2Very low262 Ų262142.5 Ų142.599%0.98980%0.798SS**  trans-119.787139.1-72.8-173.1-171.61772.7107.5
405G39.8Very low43.2Very low55 Ų55137.6 Ų137.657%0.56780%0.797SS**  trans-179.280.1-17500000109.9
406Y48.8Very low43.3Very low199 Ų199137.3 Ų137.378%0.7879%0.794SS**  trans-144.177.7152.4-83.8-75.8000106.9
407R41Very low43.2Very low259 Ų259143.4 Ų143.498%0.97780%0.803SS**  trans-99.4113.5153.2-137.3-165.6-151.7-162.17.8103.8
408G39.1Very low43.1Very low70 Ų70142.1 Ų142.172%0.72281%0.808SS**  trans108.7100.1171.800000114.6
409S42.2Very low42.7Very low122 Ų122141.1 Ų141.185%0.85381%0.811SS**  trans154.1127149.8-171.40000105.2
410A43.5Very low42.8Very low68 Ų68138.7 Ų138.756%0.56280%0.804SS**  cis-170.7153.9-7.400000103.4
411L38.9Very low42.5Very low177 Ų177131.8 Ų131.893%0.92779%0.794SS**  trans61.3110.5152.1-60.1143000118.2
412G41.5Very low42.8Very low74 Ų74137.8 Ų137.876%0.76379%0.791SS**  trans135.3101.5141.700000116.7
413S41.6Very low42.8Very low133 Ų133140 Ų14093%0.9380%0.797SS**  trans59.6115.3135.3-150.40000118.3
414G43.6Very low42.7Very low62 Ų62134.9 Ų134.964%0.63979%0.793SS**  cis172.3175.210.200000110.9
415V44.9Very low42.7Very low160 Ų160126.9 Ų126.997%0.9778%0.777SS**  trans69.7121158.2-157.40000116.3
416G44.1Very low43.1Very low60 Ų60132.2 Ų132.262%0.61979%0.793SS**  cis-168.7129.91.600000107.4
417R42.7Very low42.8Very low259 Ų259126.7 Ų126.798%0.97780%0.797SS**  69.2120.8101-67.8-165.8-172.7-162.33.9117.1
418G41.7Very low43Very low75 Ų75118.1 Ų118.177%0.77379%0.788SS**  trans116.786.8152.300000113.8
419F38.7Very low43.1Very low207 Ų207124.1 Ų124.191%0.90880%0.795SS**  51.6115.471-155-89.7000114.9
420G42.7Very low43.1Very low67 Ų67121.7 Ų121.769%0.69178%0.783SS**  trans-178.766.2176.300000112.6
421S40.9Very low43.1Very low103 Ų103125.3 Ų125.372%0.7280%0.798SS**  trans-82.6118.9169.9156.50000110.4
422Y47.2Very low43.2Very low212 Ų212121.1 Ų121.183%0.83180%0.797SS**  trans-121.8109152.356.3-86.3000105.3
423S45.5Very low43.2Very low107 Ų107121.4 Ų121.475%0.74880%0.8SS**  67.7116.980.2-167.20000113.5
424S44.4Very low43.2Very low102 Ų102118.2 Ų118.271%0.71379%0.788SS**  trans106.5106.1147.4-136.50000117.8
425S44.4Very low43.3Very low93 Ų93123.6 Ų123.665%0.6580%0.803SS**  trans53.2105.913450.40000119.2
426D47Very low43.3Very low168 Ų168119.3 Ų119.390%0.89879%0.79SS**  -170.1131.3103.2-103.1-26.8000114
427G42.9Very low43.3Very low83 Ų83125.9 Ų125.986%0.85680%0.802SS**  trans42.5106.2146.800000121.9
428G46.3Very low43.4Very low78 Ų78125.5 Ų125.580%0.80480%0.801SS**  trans-174.660.416200000114.4
429F39.9Very low43.6Very low196 Ų196129.9 Ų129.986%0.8681%0.806SS**  trans-65.1124.617274.6-82.6000109.4
430A43.2Very low43.9Very low72 Ų72123.1 Ų123.160%0.59580%0.795SS**  93.7131.97200000113.5
431T41.9Very low44.1Very low143 Ų143125.9 Ų125.988%0.87780%0.799SS**  trans85.887.2157.168.80000118.9
432G41.6Very low44.3Very low89 Ų89128.3 Ų128.392%0.91880%0.803SS**  trans-105.894.2147.300000108.6
433G42.2Very low44.3Very low80 Ų80123.1 Ų123.183%0.82579%0.79SS**  trans-98.9165.316800000111
434G42.1Very low44.3Very low66 Ų66126.1 Ų126.168%0.6879%0.789SS**  trans131.2141.6163.700000113.6
435D44.6Very low44.3Very low176 Ų176125.7 Ų125.794%0.94179%0.786SS**  trans81.5108.8177.2-45.7-23.5000114
436G45.7Very low44.5Very low69 Ų69127.3 Ų127.371%0.71180%0.798SS**  cis147.4100.218.600000107
437F44.3Very low44.3Very low199 Ų199123.2 Ų123.287%0.87380%0.795SS**  trans-25.8139.4171.4-60.1-95.1000116.9
438R44.6Very low44.5Very low251 Ų251123.3 Ų123.395%0.94780%0.796SS**  -173.7106117.6-98164-169.3-152.93111.6
439N44.6Very low44.2Very low166 Ų166128.6 Ų128.689%0.88880%0.799SS**  trans-76.9152.9164.8-77.5-42000110.9
440G45.7Very low44.7Very low65 Ų65124.6 Ų124.667%0.6780%0.796SS**  trans175.871.8165.200000109.3
441T46.1Very low44.7Very low126 Ų126128 Ų12877%0.77380%0.804SS**  56.914293.854.70000116.4
442L45.8Very low44.9Very low153 Ų153129.4 Ų129.480%0.80180%0.804SS**  trans86.5133.4172-91.367.2000116.1
443D47.2Very low45.2Very low103 Ų103131 Ų13155%0.55180%0.796SS**  cis178.7154.3-13.6-125.9-11000107
444K46.1Very low45.4Very low171 Ų171131.1 Ų131.174%0.74380%0.797SS**  trans63.8139.1143.7-67.3162.2-176.1146.40118.5
445S43.8Very low45.7Very low93 Ų93133 Ų13365%0.6580%0.8SS**  cis152.3152.2-7.248.90000104.8
446S49Very low45.7Very low127 Ų127128.9 Ų128.989%0.88879%0.79SS**  trans72.1135.2171.776.80000115.2
447G42.9Very low45.7Very low81 Ų81130.4 Ų130.484%0.83580%0.797SS**  cis151.8145.213.200000106.2
448G45.9Very low45.8Very low85 Ų85125.3 Ų125.388%0.87679%0.791SS**  trans142.683.2169.300000115.4
449E41.4Very low45.8Very low189 Ų189117.6 Ų117.688%0.88378%0.781SS**  trans-65.1147.7154.3-81.8158.9128.800111.3
450S49.4Very low45.9Very low112 Ų112115.5 Ų115.578%0.78378%0.775SS**  -173.4123.9125.358.80000110.9
451D44.7Very low46.3Very low145 Ų145119.7 Ų119.778%0.77577%0.774SS**  trans-61.6141.6167.4-58.5-61.3000112.4
452I45.8Very low46.6Very low171 Ų171120.2 Ų120.288%0.87777%0.768SS**  trans-134.7113.8148.2-64.1-175.9000109.1
453V48.3Very low46.6Very low122 Ų122119.8 Ų119.874%0.73977%0.767SS**  trans-76.6132.2176.1174.90000109.5
454G45.1Very low46.3Very low83 Ų83126.4 Ų126.486%0.85678%0.784SS**  trans-130.685.4169.700000109.8
455S48Very low46.2Very low105 Ų105127.3 Ų127.373%0.73479%0.793SS**  trans-77145178.750.80000113.7
456A45.9Very low46.2Very low90 Ų90125.9 Ų125.974%0.74479%0.793SS**  trans152.2105.6135.200000109
457A44.3Very low45.9Very low102 Ų102129 Ų12984%0.84379%0.793SS**  71.512887.500000111.4
458A47Very low46.2Very low92 Ų92133.7 Ų133.776%0.7679%0.794SS**  cis-157.5135.72800000107.4
459A45.4Very low46Very low89 Ų89134.4 Ų134.474%0.73679%0.785SS**  54133.69200000113.8
460T46.5Very low46.1Very low122 Ų122132.1 Ų132.175%0.74878%0.778SS**  cis179.1167.7-429.50000104.8
461K53.1Low45.6Very low153 Ų153135.6 Ų135.667%0.66578%0.779SS**  trans103.1111.2156.1-63.5-168.2152.3-137.50116.5
462E52.4Low45.6Very low136 Ų136136.5 Ų136.564%0.63678%0.784SS**  74.711896.8-66.6158.6-166.900107.9
463D46.7Very low45.8Very low145 Ų145132.8 Ų132.878%0.77578%0.779SS**  cis-161.8146.729.3-84.4-42.5000111.5
464R40.1Very low45.7Very low241 Ų241130.2 Ų130.291%0.90978%0.778SS**  trans-72.4124.1149.5-81.9177.2172122.2-1.3107
465M45.4Very low45.9Very low191 Ų191131.6 Ų131.694%0.94177%0.774SS**  trans-172.4150.2146.7-78.8-139.7-148.700109.7
466G44.1Very low45.6Very low62 Ų62134.4 Ų134.464%0.63978%0.781SS**  trans112.973.7154.400000116.5
467Q41.7Very low45.8Very low193 Ų193135.6 Ų135.690%0.90278%0.778SS**  trans-70121.8144.8-74.9-170.3-30.800107.8
468E49.7Very low46Very low180 Ų180136.9 Ų136.984%0.84178%0.776SS**  trans-156.2123.2154.59.4-138.7136.100112.3
469S40.7Very low46Very low99 Ų99141.9 Ų141.969%0.69278%0.781SS**  trans-53.8153.8160.145.40000112.8
470L44.6Very low45.9Very low142 Ų142141.1 Ų141.174%0.74378%0.782SS**  161.1122.4116.4-98.6115.8000110.5
471F39.1Very low45.7Very low184 Ų184147.4 Ų147.481%0.80779%0.792SS**  trans51.2118.3139.5-74.2-101.3000121.6
472D44.4Very low45.5Very low164 Ų164149.8 Ų149.888%0.87780%0.802SS**  -179.6149.8127.3-103.2-15.7000106.5
473A49.2Very low45.1Very low93 Ų93148.7 Ų148.777%0.76981%0.81SS**  cis-175.5152.6-12.200000103.4
474G47Very low45.2Very low69 Ų69153.2 Ų153.271%0.71182%0.816SS**  trans134.396.2155.100000118.3
475S48.9Very low45.4Very low112 Ų112148.2 Ų148.278%0.78381%0.812SS**  trans66.892.6140.765.20000120.2
476N42.5Very low45.6Very low163 Ų163143.6 Ų143.687%0.87280%0.804SS**  trans-79123.7146.5-81.2-31.8000109.5
477V49.7Very low45.6Very low115 Ų115144.5 Ų144.570%0.69781%0.814SS**  trans-97.4107.1167.4175.40000108.5F479V477-F479 HydrophobicContact CG1-CD2 3.9Å; V477-F479 HydrophobicContact CG1-CE2 3.71Å
478T48.1Very low45.6Very low130 Ų130139.2 Ų139.280%0.79881%0.811SS**  trans-88.3112.6172.336.50000109.7
479F47Very low45.3Very low196 Ų196134.6 Ų134.686%0.8681%0.812SS**  trans-86.8113.3166.4-89.4-80.4000110.3V477V477-F479 HydrophobicContact CG1-CD2 3.9Å; V477-F479 HydrophobicContact CG1-CE2 3.71Å
480G44Very low45.4Very low74 Ų74134.1 Ų134.176%0.76382%0.822SS**  trans-68.9132.6-177.800000113.7
481R41.9Very low45.5Very low253 Ų253130.5 Ų130.596%0.95582%0.82SS**  trans-78.7112.6160.5-72.9-175.5176.5-160.9-0.5108.9
482K49.2Very low45.5Very low203 Ų203125.2 Ų125.288%0.88382%0.817SS**  trans-90.1106.7162.9-80.5177.8176.8172.40108.8
483S42.4Very low45.6Very low114 Ų114127 Ų12780%0.79782%0.817SS**  trans-62.5128158.652.50000109.7
484R49.6Very low45.5Very low239 Ų239126.1 Ų126.190%0.90282%0.817SS**  trans-135110.3156.3-157.1178.1-75.3169.7-4.8109.3
485V44.1Very low45.2Very low136 Ų136135.2 Ų135.282%0.82483%0.83SS**  trans-59.5136.5162.8170.10000109
486A49.2Very low45.3Very low94 Ų94134.6 Ų134.678%0.77783%0.826SS**  trans149.4121.3131.600000111.8
487G44.6Very low45.3Very low81 Ų81134 Ų13484%0.83582%0.822SS**  trans92.2108.6131.500000117.7
488G42.4Very low45.3Very low83 Ų83135.5 Ų135.586%0.85683%0.827SS**  107.3104.6126.200000116.9
489G42Very low45Very low82 Ų82136.1 Ų136.185%0.84583%0.83SS**  99.6104120.200000117.5
490G43Very low45Very low89 Ų89131.7 Ų131.792%0.91882%0.824SS**  95.6130125.100000117.1
491G46.6Very low45.2Very low67 Ų67132.5 Ų132.569%0.69182%0.818SS**  trans130.471.6157.300000114
492G40Very low45.4Very low72 Ų72131.8 Ų131.874%0.74282%0.817SS**  trans-72.3137.4167.800000111.7
493F46.6Very low45.5Very low201 Ų201133 Ų13388%0.88282%0.816SS**  trans-143.3104.2157.4-65.6-80.7000103.8
494G47.8Very low46.3Very low75 Ų75132.5 Ų132.577%0.77381%0.808SS**  83.364.761.600000108.2S496G494-S496 PolarHBondContact O-N 3.27Å
495R39.4Very low46.7Very low261 Ų261126.3 Ų126.399%0.98580%0.799SS**  trans-78105.1165.6-82.6-177.4170.7-173.5-3.7106.6
496S52.3Low47.2Very low98 Ų98129.8 Ų129.869%0.68580%0.798SS**  trans-118127.716347.80000108G494G494-S496 PolarHBondContact O-N 3.27Å
497D41.5Very low47.3Very low150 Ų150131.5 Ų131.580%0.80280%0.795SS**  trans-54.3129.6173.4-52.4-66.8000110.7
498D49.1Very low47.6Very low147 Ų147135.7 Ų135.779%0.78680%0.797SS**  trans-135.381.8162.5-83-37.6000109.2S500D498-S500 PolarHBondContact O-N 3.4Å
499T41.8Very low48.1Very low143 Ų143138.4 Ų138.488%0.87779%0.792SS**  trans-62.510114850.90000107.6
500S47.3Very low48.6Very low104 Ų104142.6 Ų142.673%0.72779%0.789SS**  trans-127.4119.8167930000111.4D498D498-S500 PolarHBondContact O-N 3.4Å
501S47.8Very low49.4Very low91 Ų91146.9 Ų146.964%0.63679%0.786SS**  trans-48.3133.8173.149.40000113R503S501-R503 VanDerWaalsContact C-N 3.34Å; S501-R503 PolarHBondContact O-N 3.07Å
502Y47Very low49.8Very low238 Ų238149.1 Ų149.193%0.93379%0.791SS**  trans-58.297.3153.4-86-93000109.1
503R50.8Low50.4Low227 Ų227155.6 Ų155.686%0.85780%0.799SS**  trans-111.8107.9160.2-89-172.3175.9-172.9-0.5107.5S501S501-R503 VanDerWaalsContact C-N 3.34Å; S501-R503 PolarHBondContact O-N 3.07Å
504V60.5Low51.5Low105 Ų105151.7 Ų151.764%0.63679%0.793SS**  trans-79.5120.4165177.70000107.1Y506V504-Y506 HydrophobicContact CG1-CD2 3.89Å; V504-Y506 HydrophobicContact CG1-CE2 3.82Å; V504-Y506 PolarHBondContact O-N 3.09Å
505P57.9Low51.9Low109 Ų109157 Ų15771%0.70880%0.798SS**  trans-84108.4167.931.5-26.3000108.5N507P505-N507 PolarHBondContact O-N 3.4Å
506Y52.9Low52.9Low208 Ų208152.4 Ų152.482%0.81679%0.792SS**  trans-84.2103158.3-83.7-82.5000107.4V504V504-Y506 HydrophobicContact CG1-CD2 3.89Å; V504-Y506 HydrophobicContact CG1-CE2 3.82Å; V504-Y506 PolarHBondContact O-N 3.09Å
507N51.4Low53.6Low130 Ų130153.3 Ų153.370%0.69580%0.796SS**  trans-110.8103.9158.8-67.5-15.2000106.2P505P505-N507 PolarHBondContact O-N 3.4Å
508L52.4Low54.3Low169 Ų169153 Ų15389%0.88580%0.799SS**  trans-129.595.1153.1-105.7104.7000105.8
509D51.8Low54.9Low140 Ų140151.6 Ų151.675%0.74980%0.801SS**  trans-61.9132.1167.6-59.2-48.4000109
510E52.6Low55.8Low170 Ų170156.3 Ų156.379%0.79480%0.803SS**  trans20.3120.6134.8-53.2-177.8176.500116.8
511E59.1Low56.3Low180 Ų180163.9 Ų163.984%0.84183%0.826SS**  158.8124.7123.1-83172.1-172.900113.3
512S55.3Low56.7Low113 Ų113167.6 Ų167.679%0.7984%0.836SS**  trans77.894.6152.174.70000120.2
513F53.1Low57.2Low208 Ų208163.8 Ų163.891%0.91283%0.831SS**PPolyproline II helixtrans-77.4136.7150.2-79-93.1000110.2
514P69.2Low57.5Low119 Ų119160.3 Ų160.377%0.77383%0.829SS**PPolyproline II helixtrans-101.8119.9151.731.2-25.3000110.6
515E57.1Low57.4Low188 Ų188163.6 Ų163.688%0.87984%0.841SS**PPolyproline II helixtrans-61138.1169.4-61.8176.4160.400111
516L60.2Low57.3Low164 Ų164167 Ų16786%0.85985%0.849SS**  trans-130.4143160.2-77.3179.5000110.9
517P67.2Low57.6Low117 Ų117164.3 Ų164.376%0.7685%0.851SS**PPolyproline II helixtrans-84.7143.3-155.732.6-36.4000114.2S519P517-S519 PolarHBondContact O-N 3.01Å
518T56.4Low58.1Low142 Ų142166.7 Ų166.787%0.87186%0.862SS**PPolyproline II helixtrans-67.2119.1165.253.30000110.4
519S62Low58.5Low118 Ų118166.5 Ų166.583%0.82586%0.861SS**PPolyproline II helixtrans-97.7122.616263.70000109.4P517P517-S519 PolarHBondContact O-N 3.01Å
520R59.7Low59.1Low242 Ų242168.8 Ų168.891%0.91387%0.87SS**PPolyproline II helixtrans-76.5133.5164.8-78.2173.1167.4164.9-4.4108.1
521H57Low59.7Low264 Ų264168.6 Ų168.6100%1.22288%0.877SS**  trans-121.70145.7-110.4-48000108.8

Retrieved 521 of 521 residues in 145.1 ms (Link to these results)