G4V868_SCHMA Loading...

Cilia- and flagella-associated protein 126

AlphaFold DB , UniProt , Accession G4V868, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.4Low77.3Confident208 Ų208117.9 Ų117.9100%1.02562%0.616SS**  0-35.50-76.1-69.3-112.300112.9
2E71.3Confident78Confident157 Ų157118.2 Ų118.273%0.73462%0.618SS**Hα-helixtrans-64.6-40.9-178.8-101.3173.3147.600115.9V4 N5 Q6E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 3.14Å; E2-N5 PolarHBondContact O-N 3.1Å; E2-Q6 PolarHBondContact O-N 3.36Å; E2-Q6 VanDerWaalsContact O-N 3.14Å
3L71.6Confident78.7Confident132 Ų132119.8 Ų119.869%0.69162%0.617SS**Hα-helixtrans-63-36.7-177.6-81.6162.7000113.4N5 Q6 I7L3-N5 VanDerWaalsContact C-N 3.34Å; L3-N5 PolarHBondContact O-N 3.42Å; L3-Q6 PolarHBondContact O-N 3.09Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 3.33Å; L3-I7 VanDerWaalsContact O-N 3.09Å
4V73.8Confident79.4Confident89 Ų89119.6 Ų119.654%0.53961%0.612SS.*Hα-helixtrans-67-37.7178.9178.80000110.9E2 I7 N8E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 3.14Å; V4-I7 PolarHBondContact O-N 3.24Å; V4-N8 PolarHBondContact O-N 3.49Å; V4-N8 VanDerWaalsContact O-N 3.1Å; V4-N8 PolarHBondContact O-ND2 3.49Å
5N74.5Confident80Confident113 Ų113122.4 Ų122.460%0.60462%0.618SS**Hα-helixtrans-68.3-37.2176.6-75.8-16000112.1E2 L3 L9E2-N5 PolarHBondContact O-N 3.1Å; L3-N5 VanDerWaalsContact C-N 3.34Å; L3-N5 PolarHBondContact O-N 3.42Å; N5-L9 WeakPolarHBondContact O-CB 3.5Å; N5-L9 PolarHBondContact O-N 3.48Å
6Q76.1Confident80.4Confident114 Ų114117.8 Ų117.853%0.53361%0.605SS.*Hα-helixtrans-66.2-43.1176-69.9-172.32.600112.1E2 L3 N8 L9 I10E2-Q6 PolarHBondContact O-N 3.36Å; E2-Q6 VanDerWaalsContact O-N 3.14Å; L3-Q6 PolarHBondContact O-N 3.09Å; Q6-N8 PolarHBondContact O-N 3.24Å; Q6-L9 PolarHBondContact O-N 3.01Å; Q6-I10 VanDerWaalsContact O-CG1 3.31Å; Q6-I10 WeakPolarHBondContact O-CG1 3.36Å; Q6-I10 PolarHBondContact O-N 3.27Å
7I82Confident80.8Confident110 Ų110115.1 Ų115.156%0.56460%0.595SS**Hα-helixtrans-62.4-43.7177.6-67.2166.9000111L3 V4 L9 I10 S11L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 3.33Å; L3-I7 VanDerWaalsContact O-N 3.09Å; V4-I7 PolarHBondContact O-N 3.24Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.4Å; I7-I10 PolarHBondContact O-N 3.07Å; I7-S11 PolarHBondContact O-N 3.04Å
8N83Confident81.1Confident91 Ų91113.9 Ų113.949%0.48759%0.59SS.*Hα-helixtrans-62.6-40.3176.6-76.8-22.8000112.3V4 Q6 S11 L12V4-N8 PolarHBondContact O-N 3.49Å; V4-N8 VanDerWaalsContact O-N 3.1Å; V4-N8 PolarHBondContact O-ND2 3.49Å; Q6-N8 PolarHBondContact O-N 3.24Å; N8-S11 PolarHBondContact O-N 3.45Å; N8-L12 WeakPolarHBondContact O-CB 3.31Å; N8-L12 PolarHBondContact O-N 3.01Å
9L82.9Confident81.2Confident102 Ų102111.3 Ų111.353%0.53458%0.582SS.*Hα-helixtrans-66.8-39.3178.6-165.772.5000112.1N5 Q6 I7 L12 K13N5-L9 WeakPolarHBondContact O-CB 3.5Å; N5-L9 PolarHBondContact O-N 3.48Å; Q6-L9 PolarHBondContact O-N 3.01Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-K13 WeakPolarHBondContact O-CG 3.48Å; L9-K13 PolarHBondContact O-N 3.44Å
10I86.4Confident81.3Confident106 Ų106110.8 Ų110.854%0.54458%0.579SS.*Hα-helixtrans-63.8-45175.8-68.2165.3000110.3Q6 I7 L12 K13 Q14Q6-I10 VanDerWaalsContact O-CG1 3.31Å; Q6-I10 WeakPolarHBondContact O-CG1 3.36Å; Q6-I10 PolarHBondContact O-N 3.27Å; I7-I10 PolarHBondContact O-N 3.07Å; I10-L12 PolarHBondContact O-N 3.04Å; I10-K13 PolarHBondContact O-N 3.48Å; I10-Q14 WeakPolarHBondContact O-CB 3.39Å; I10-Q14 PolarHBondContact O-N 3.45Å
11S85.9Confident81.5Confident75 Ų75109.9 Ų109.952%0.52458%0.575SS.*Hα-helixtrans-60.7-43.6177.1-173.50000112.3I7 N8 Q14 K15I7-S11 PolarHBondContact O-N 3.04Å; N8-S11 PolarHBondContact O-N 3.45Å; S11-Q14 PolarHBondContact O-N 3.11Å; S11-K15 PolarHBondContact O-N 2.88Å
12L85.6Confident82.6Confident121 Ų121105.6 Ų105.663%0.63455%0.554SS**Hα-helixtrans-62.2-44.1176.3-107.1150000112.4N8 L9 I10 Q14 K15 A16N8-L12 WeakPolarHBondContact O-CB 3.31Å; N8-L12 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 3.04Å; I10-L12 PolarHBondContact O-N 3.04Å; L12-Q14 VanDerWaalsContact C-N 3.34Å; L12-Q14 PolarHBondContact O-N 3.46Å; L12-K15 PolarHBondContact O-N 3.41Å; L12-A16 PolarHBondContact O-N 2.95Å
13K88Confident83.1Confident139 Ų139102.9 Ų102.960%0.60454%0.544SS*.Hα-helixtrans-61-43.4175.6-76.3-176.9177.1-173.90111.5L9 I10 K15 A16 T17L9-K13 WeakPolarHBondContact O-CG 3.48Å; L9-K13 PolarHBondContact O-N 3.44Å; I10-K13 PolarHBondContact O-N 3.48Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 3.21Å; K13-A16 PolarHBondContact O-N 3.01Å; K13-T17 WeakPolarHBondContact O-CG2 3.49Å; K13-T17 PolarHBondContact O-N 3.3Å; K13-T17 PolarHBondContact O-OG1 3.36Å
14Q87.4Confident83.7Confident118 Ų118101 Ų10155%0.55154%0.535SS*.Hα-helixtrans-67-34.7179.1-163.5169.10.300112.4I10 S11 L12 T17 N18I10-Q14 WeakPolarHBondContact O-CB 3.39Å; I10-Q14 PolarHBondContact O-N 3.45Å; S11-Q14 PolarHBondContact O-N 3.11Å; L12-Q14 VanDerWaalsContact C-N 3.34Å; L12-Q14 PolarHBondContact O-N 3.46Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.45Å; Q14-T17 PolarHBondContact O-OG1 2.95Å; Q14-N18 WeakPolarHBondContact O-CB 3.44Å; Q14-N18 PolarHBondContact O-N 3.31Å; Q14-N18 VanDerWaalsContact O-N 3.14Å; Q14-N18 PolarHBondContact O-ND2 3.3Å
15K88.5Confident84.2Confident161 Ų161103.9 Ų103.970%0.754%0.54SS*.Hα-helixtrans-67.8-40.1174.2-162.3171.4-176177.60111.8S11 L12 K13 S19S11-K15 PolarHBondContact O-N 2.88Å; L12-K15 PolarHBondContact O-N 3.41Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 3.21Å; K15-S19 PolarHBondContact O-N 3.26Å; K15-S19 VanDerWaalsContact O-N 3.11Å
16A86.5Confident84.6Confident49 Ų49104.4 Ų104.441%0.40554%0.537SS..Hα-helixtrans-64.9-45.5176.600000112.1L12 K13 N18 S19 L20L12-A16 PolarHBondContact O-N 2.95Å; K13-A16 PolarHBondContact O-N 3.01Å; A16-N18 PolarHBondContact O-N 3.43Å; A16-S19 PolarHBondContact O-N 3.36Å; A16-S19 PolarHBondContact O-OG 2.79Å; A16-L20 PolarHBondContact O-N 3.3Å
17T86.9Confident84.6Confident71 Ų71103.6 Ų103.644%0.43654%0.536SS..Hα-helixtrans-64-40.4178.454.60000112.2K13 Q14 S19 L20 N21K13-T17 WeakPolarHBondContact O-CG2 3.49Å; K13-T17 PolarHBondContact O-N 3.3Å; K13-T17 PolarHBondContact O-OG1 3.36Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.45Å; Q14-T17 PolarHBondContact O-OG1 2.95Å; T17-S19 VanDerWaalsContact C-N 3.31Å; T17-S19 PolarHBondContact O-N 2.95Å; T17-L20 PolarHBondContact O-N 3.49Å; T17-N21 WeakPolarHBondContact O-CB 3.43Å; T17-N21 PolarHBondContact O-N 3.02Å; T17-N21 PolarHBondContact O-ND2 3.01Å
18N87.3Confident84.5Confident95 Ų95101.6 Ų101.651%0.50853%0.532SS..Hα-helixtrans-62.4-37.7174.8-72.4-21.1000112.4Q14 A16 M22Q14-N18 WeakPolarHBondContact O-CB 3.44Å; Q14-N18 PolarHBondContact O-N 3.31Å; Q14-N18 VanDerWaalsContact O-N 3.14Å; Q14-N18 PolarHBondContact O-ND2 3.3Å; A16-N18 PolarHBondContact O-N 3.43Å; N18-M22 PolarHBondContact O-N 3.14Å
19S82Confident84.2Confident64 Ų64104.4 Ų104.445%0.44854%0.539SS..Hα-helixtrans-68.9-40.3177.371.60000112.9K15 A16 T17 M22 L23K15-S19 PolarHBondContact O-N 3.26Å; K15-S19 VanDerWaalsContact O-N 3.11Å; A16-S19 PolarHBondContact O-N 3.36Å; A16-S19 PolarHBondContact O-OG 2.79Å; T17-S19 VanDerWaalsContact C-N 3.31Å; T17-S19 PolarHBondContact O-N 2.95Å; S19-M22 WeakPolarHBondContact O-CB 3.43Å; S19-M22 PolarHBondContact O-N 2.78Å; S19-L23 WeakPolarHBondContact O-CG 3.15Å; S19-L23 PolarHBondContact O-N 3.41Å; S19-L23 VanDerWaalsContact O-N 3.09Å
20L84.5Confident83.4Confident100 Ų100105.5 Ų105.552%0.52455%0.545SS..Hα-helixtrans-62.9-48.3175.2-95.3156.2000111.4A16 T17 M22 L23 D24A16-L20 PolarHBondContact O-N 3.3Å; T17-L20 PolarHBondContact O-N 3.49Å; L20-M22 PolarHBondContact O-N 3.01Å; L20-L23 PolarHBondContact O-N 3.32Å; L20-D24 PolarHBondContact O-N 3.28Å
21N85.2Confident82.4Confident93 Ų93107.1 Ų107.150%0.49756%0.555SS.*Hα-helixtrans-60.2-32.4177.2-74.2-20.4000113T17 K25T17-N21 WeakPolarHBondContact O-CB 3.43Å; T17-N21 PolarHBondContact O-N 3.02Å; T17-N21 PolarHBondContact O-ND2 3.01Å; N21-K25 WeakPolarHBondContact O-CB 3.47Å; N21-K25 WeakPolarHBondContact O-CG 3.49Å; N21-K25 PolarHBondContact O-N 3.47Å
22M85.6Confident81.4Confident117 Ų117107.5 Ų107.558%0.57656%0.558SS**Hα-helixtrans-70.3-38.9174.5-107.2-88.4-74.400112.4N18 S19 L20 K26N18-M22 PolarHBondContact O-N 3.14Å; S19-M22 WeakPolarHBondContact O-CB 3.43Å; S19-M22 PolarHBondContact O-N 2.78Å; L20-M22 PolarHBondContact O-N 3.01Å; M22-K26 PolarHBondContact O-N 3.01Å
23L82Confident80.2Confident101 Ų101108 Ų10853%0.52956%0.557SS.*Hα-helixtrans-70-42.4176.9-72.1171.1000111.5S19 L20 K25 K26 L27S19-L23 WeakPolarHBondContact O-CG 3.15Å; S19-L23 PolarHBondContact O-N 3.41Å; S19-L23 VanDerWaalsContact O-N 3.09Å; L20-L23 PolarHBondContact O-N 3.32Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 3.11Å; L23-K26 WeakPolarHBondContact O-CA 3.48Å; L23-K26 WeakPolarHBondContact O-CB 3.42Å; L23-K26 PolarHBondContact O-N 3.3Å; L23-L27 PolarHBondContact O-N 3.25Å
24D84Confident78.8Confident92 Ų92106.6 Ų106.649%0.49256%0.562SS.*Hα-helixtrans-63-39.2177-76.4-16.5000111.9L20 K26 L27 S28L20-D24 PolarHBondContact O-N 3.28Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.14Å; D24-L27 PolarHBondContact O-N 2.84Å; D24-S28 WeakPolarHBondContact O-CB 3.37Å; D24-S28 PolarHBondContact O-N 2.97Å; D24-S28 PolarHBondContact O-OG 3.18Å
25K84.4Confident77.1Confident150 Ų150108.1 Ų108.165%0.65257%0.572SS**Hα-helixtrans-65-30.5171.9-78.1-179.3-179.2179.80113.4N21 L23 S28 K29N21-K25 WeakPolarHBondContact O-CB 3.47Å; N21-K25 WeakPolarHBondContact O-CG 3.49Å; N21-K25 PolarHBondContact O-N 3.47Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 3.11Å; K25-S28 PolarHBondContact O-OG 3.48Å; K25-S28 VanDerWaalsContact O-OG 3.13Å; K25-K29 PolarHBondContact O-N 2.97Å
26K82.7Confident75.4Confident124 Ų124106.3 Ų106.354%0.53957%0.57SS.*Hα-helixtrans-75.3-41.2174.4-81.9-176.4176.6-177.10111.6M22 L23 D24 K29 L30M22-K26 PolarHBondContact O-N 3.01Å; L23-K26 WeakPolarHBondContact O-CA 3.48Å; L23-K26 WeakPolarHBondContact O-CB 3.42Å; L23-K26 PolarHBondContact O-N 3.3Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.14Å; K26-K29 PolarHBondContact O-N 2.96Å; K26-L30 PolarHBondContact O-N 3.17Å
27L76.3Confident73.8Confident97 Ų97109.9 Ų109.951%0.50859%0.587SS.*Hα-helixtrans-64.4-42.7176.6-90156.4000111.9L23 D24 K29 L30 N31L23-L27 PolarHBondContact O-N 3.25Å; D24-L27 PolarHBondContact O-N 2.84Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.32Å; L27-L30 PolarHBondContact O-N 3.29Å; L27-L30 VanDerWaalsContact O-N 3.16Å; L27-N31 PolarHBondContact O-N 3.05Å
28S78.4Confident71.7Confident68 Ų68115.5 Ų115.548%0.47661%0.605SS.*Hα-helixtrans-64.5-36.5175.866.80000112.2D24 K25 N31 S32D24-S28 WeakPolarHBondContact O-CB 3.37Å; D24-S28 PolarHBondContact O-N 2.97Å; D24-S28 PolarHBondContact O-OG 3.18Å; K25-S28 PolarHBondContact O-OG 3.48Å; K25-S28 VanDerWaalsContact O-OG 3.13Å; S28-N31 PolarHBondContact O-N 3.14Å; S28-S32 WeakPolarHBondContact O-CB 3.47Å; S28-S32 PolarHBondContact O-N 2.76Å; S28-S32 VanDerWaalsContact O-N 3.08Å; S28-S32 PolarHBondContact O-OG 2.93Å
29K77Confident69.8Low149 Ų149114.7 Ų114.765%0.64861%0.612SS**Hα-helixtrans-64.8-34171.8-86.3-176.8176.5-176.80113.8K25 K26 L27 S32 Q33K25-K29 PolarHBondContact O-N 2.97Å; K26-K29 PolarHBondContact O-N 2.96Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.32Å; K29-S32 WeakPolarHBondContact CA-OG 3.49Å; K29-S32 PolarHBondContact O-OG 2.69Å; K29-Q33 WeakPolarHBondContact O-CG 3.45Å
30L66.4Low67.9Low126 Ų126118.6 Ų118.666%0.6662%0.623SS**Hα-helixtrans-73.5-37.7176.8-75.3166.1000112.1K26 L27K26-L30 PolarHBondContact O-N 3.17Å; L27-L30 PolarHBondContact O-N 3.29Å; L27-L30 VanDerWaalsContact O-N 3.16Å
31N65.9Low66.1Low139 Ų139124 Ų12474%0.74364%0.636SS**Hα-helixtrans-80-17.5-179.8-75.3-14000114.2L27 S28L27-N31 PolarHBondContact O-N 3.05Å; S28-N31 PolarHBondContact O-N 3.14Å
32S64.8Low64Low83 Ų83127 Ų12758%0.5865%0.645SS**THydrogen-bonded Turntrans-90.9-3.5176.647.30000113.8S28 K29 P34S28-S32 WeakPolarHBondContact O-CB 3.47Å; S28-S32 PolarHBondContact O-N 2.76Å; S28-S32 VanDerWaalsContact O-N 3.08Å; S28-S32 PolarHBondContact O-OG 2.93Å; K29-S32 WeakPolarHBondContact CA-OG 3.49Å; K29-S32 PolarHBondContact O-OG 2.69Å; S32-P34 WeakPolarHBondContact O-CD 3.37Å
33Q61.1Low61.9Low131 Ų131130.9 Ų130.961%0.61265%0.653SS**SBendtrans-75.3120.7168.7-65-59.6-45.900108.3K29 I35K29-Q33 WeakPolarHBondContact O-CG 3.45Å; Q33-I35 PolarHBondContact O-N 3.04Å
34P57.2Low60.3Low111 Ų111129.9 Ų129.972%0.72165%0.652SS**  trans-59.8119.7171.524.7-31.1000107.7S32 N36S32-P34 WeakPolarHBondContact O-CD 3.37Å; P34-N36 VanDerWaalsContact C-N 3.3Å; P34-N36 PolarHBondContact O-N 3.36Å
35I52.9Low58.5Low150 Ų150132.5 Ų132.577%0.76966%0.663SS**  trans-59.4103.1167.8-59.1169.4000104.9Q33 V37Q33-I35 PolarHBondContact O-N 3.04Å; I35-V37 HydrophobicContact CB-CG2 4.23Å; I35-V37 HydrophobicContact CG2-CG2 3.58Å; I35-V37 PolarHBondContact O-N 3.42Å
36N52.4Low56.8Low122 Ų122133.7 Ų133.765%0.65267%0.668SS**  trans-7282.2174.1-170.1-12.2000107.6P34 K38 A39P34-N36 VanDerWaalsContact C-N 3.3Å; P34-N36 PolarHBondContact O-N 3.36Å; N36-K38 PolarHBondContact O-N 3.18Å; N36-K38 WeakPolarHBondContact OD1-CB 3.44Å; N36-K38 PolarHBondContact OD1-N 3.45Å; N36-K38 VanDerWaalsContact OD1-N 3.14Å; N36-A39 PolarHBondContact O-N 3.01Å
37V52.1Low55.2Low125 Ų125132.2 Ų132.276%0.75867%0.673SS**THydrogen-bonded Turntrans-66.51.3174.7-175.30000111.2I35I35-V37 HydrophobicContact CB-CG2 4.23Å; I35-V37 HydrophobicContact CG2-CG2 3.58Å; I35-V37 PolarHBondContact O-N 3.42Å
38K44.5Very low53.8Low188 Ų188133.6 Ų133.682%0.81768%0.68SS**THydrogen-bonded Turntrans-99.211.6176.9-90.5-177.3175.3179.90115.5N36 E40N36-K38 PolarHBondContact O-N 3.18Å; N36-K38 WeakPolarHBondContact OD1-CB 3.44Å; N36-K38 PolarHBondContact OD1-N 3.45Å; N36-K38 VanDerWaalsContact OD1-N 3.14Å; K38-E40 PolarHBondContact O-N 3.17Å
39A45.4Very low52.5Low78 Ų78137 Ų13765%0.64569%0.693SS**  trans-78.374.9154.200000108.6N36 R41N36-A39 PolarHBondContact O-N 3.01Å; A39-R41 VanDerWaalsContact C-N 3.27Å; A39-R41 PolarHBondContact O-N 3.45Å
40E43.6Very low51.4Low146 Ų146139.2 Ų139.268%0.68270%0.702SS**  trans-52.2101.4160.3-77.6-172.7165.400106.7K38 K42K38-E40 PolarHBondContact O-N 3.17Å; E40-K42 HydrophobicContact CB-CG 4.33Å; E40-K42 PolarHBondContact O-N 3.35Å; E40-K42 WeakPolarHBondContact OE2-CE 3.49Å; E40-K42 IonicContact OE2-NZ 3.92Å
41R45.6Very low50.7Low213 Ų213143 Ų14380%0.80471%0.713SS**  trans-65.378.9156.8-74.8-178.4173.5149.1-2.6105.6A39 W43A39-R41 VanDerWaalsContact C-N 3.27Å; A39-R41 PolarHBondContact O-N 3.45Å; R41-W43 PolarHBondContact O-N 2.9Å
42K41.1Very low50.2Low158 Ų158141.5 Ų141.569%0.68771%0.713SS**  trans-60.285.2153.7-74.1-174.6-179175.80105.3E40 T44E40-K42 HydrophobicContact CB-CG 4.33Å; E40-K42 PolarHBondContact O-N 3.35Å; E40-K42 WeakPolarHBondContact OE2-CE 3.49Å; E40-K42 IonicContact OE2-NZ 3.92Å; K42-T44 HydrophobicContact CB-CG2 4.31Å; K42-T44 PolarHBondContact O-N 3.04Å
43W42Very low50.2Low197 Ų197146.2 Ų146.275%0.74672%0.724SS**  trans-62.777.3157.1-77.892.3000106.1R41 M45R41-W43 PolarHBondContact O-N 2.9Å; W43-M45 PolarHBondContact O-N 2.89Å
44T48.1Very low50.3Low81 Ų81146.1 Ų146.150%0.49773%0.734SS.*  trans-65.4117.7162.856.90000104.7K42 K46K42-T44 HydrophobicContact CB-CG2 4.31Å; K42-T44 PolarHBondContact O-N 3.04Å; T44-K46 PolarHBondContact O-N 2.93Å
45M45.7Very low50.4Low147 Ų147149.4 Ų149.472%0.72474%0.737SS**G310 helixtrans-57.43.2177.3-74.9-16170.100114.1W43 S47W43-M45 PolarHBondContact O-N 2.89Å; M45-S47 VanDerWaalsContact C-N 3.33Å; M45-S47 PolarHBondContact O-N 3.4Å
46K48.8Very low51.2Low175 Ų175145 Ų14576%0.76172%0.72SS**G310 helixtrans-72.2-19.9-176.2-65.3-174.4177-176.40113.5T44T44-K46 PolarHBondContact O-N 2.93Å
47S49.1Very low51.9Low92 Ų92145.4 Ų145.464%0.64372%0.718SS**G310 helixtrans-88.9-11.3178.365.70000114.9M45M45-S47 VanDerWaalsContact C-N 3.33Å; M45-S47 PolarHBondContact O-N 3.4Å
48L48.6Very low52Low126 Ų126149.3 Ų149.366%0.6672%0.719SS**SBendtrans-84.3-9.8175.9-72.2172.5000113.4K50L48-K50 PolarHBondContact O-N 3.46Å
49L50.7Low52.9Low140 Ų140143.8 Ų143.873%0.73370%0.698SS**  trans-77.775.3165.3-74.7115.4000109.5K51L49-K51 PolarHBondContact O-N 2.92Å
50K53.9Low53.8Low195 Ų195147.1 Ų147.185%0.84870%0.698SS**  trans-53.6112.7156.1-97177.4176175.10106.5L48 S52L48-K50 PolarHBondContact O-N 3.46Å; K50-S52 PolarHBondContact O-N 2.95Å
51K50.4Low54.5Low207 Ų207148.7 Ų148.790%0.970%0.699SS**  trans-50109.6168.9-71.6-176.4176.3-179.10107L49 K53L49-K51 PolarHBondContact O-N 2.92Å; K51-K53 PolarHBondContact O-N 3.19Å
52S56.8Low55.2Low106 Ų106141.9 Ų141.974%0.74168%0.684SS**PPolyproline II helixtrans-61.5132.8179.3530000108.4K50K50-S52 PolarHBondContact O-N 2.95Å
53K64.8Low55.7Low183 Ų183143 Ų14380%0.79669%0.694SS**PPolyproline II helixtrans-53.2145.2170.1-68.9-172.1177.4-175.90109.2K51 K55K51-K53 PolarHBondContact O-N 3.19Å; K53-K55 PolarHBondContact O-N 2.92Å; K53-K55 VanDerWaalsContact O-N 3.09Å
54P62.9Low56.6Low128 Ų128139 Ų13983%0.83169%0.686SS**PPolyproline II helixtrans-55.6121.4174.423.1-31.2000108.2S56P54-S56 PolarHBondContact O-N 3.04Å
55K58.6Low57.1Low180 Ų180140.3 Ų140.378%0.78369%0.69SS**PPolyproline II helixtrans-60129.5178.2-79.5179.9176179.60108.6K53 D59K53-K55 PolarHBondContact O-N 2.92Å; K53-K55 VanDerWaalsContact O-N 3.09Å; K55-D59 VanDerWaalsContact CA-OD2 3.29Å; K55-D59 WeakPolarHBondContact CA-OD2 3.39Å; K55-D59 HydrophobicContact CB-CB 3.96Å; K55-D59 WeakPolarHBondContact CB-OD2 3.46Å; K55-D59 HydrophobicContact CD-CB 4.44Å; K55-D59 HydrophobicContact CG-CB 4.28Å
56S69.2Low57.8Low58 Ų58144.5 Ų144.541%0.40670%0.698SS.*PPolyproline II helixtrans-67.2157.4177.575.20000109.9P54 W58 D59P54-S56 PolarHBondContact O-N 3.04Å; S56-W58 PolarHBondContact O-N 3.09Å; S56-W58 VanDerWaalsContact O-N 3.07Å; S56-D59 PolarHBondContact N-OD2 3.31Å; S56-D59 VanDerWaalsContact O-CB 3.31Å; S56-D59 WeakPolarHBondContact O-CB 3.44Å; S56-D59 PolarHBondContact O-N 3.32Å; S56-D59 PolarHBondContact OG-OD2 3.22Å
57E67.5Low58.5Low131 Ų131139 Ų13961%0.61268%0.682SS**G310 helixtrans-55.9-28178.4-176.6137.9-127.400113.2D59 K60E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.19Å; E57-K60 WeakPolarHBondContact O-CB 3.47Å; E57-K60 WeakPolarHBondContact O-CG 3.5Å; E57-K60 PolarHBondContact O-N 3.05Å; E57-K60 IonicContact OE1-NZ 2.86Å; E57-K60 PolarHBondContact OE1-NZ 3.36Å
58W54.1Low59.3Low207 Ų207136.6 Ų136.678%0.78466%0.661SS**G310 helixtrans-73.3-19.3175.9-58103.3000114S56 K60 Y61 S62S56-W58 PolarHBondContact O-N 3.09Å; S56-W58 VanDerWaalsContact O-N 3.07Å; W58-K60 PolarHBondContact O-N 2.93Å; W58-Y61 PolarHBondContact O-N 3.48Å; W58-Y61 VanDerWaalsContact O-N 3.17Å; W58-S62 PolarHBondContact O-N 3.01Å
59D64.2Low60.3Low72 Ų72138.1 Ų138.139%0.38566%0.659SS.*G310 helixtrans-68.8-18.8173.8-71.6-40.8000112.2K55 S56 E57 Y61 S62K55-D59 VanDerWaalsContact CA-OD2 3.29Å; K55-D59 WeakPolarHBondContact CA-OD2 3.39Å; K55-D59 HydrophobicContact CB-CB 3.96Å; K55-D59 WeakPolarHBondContact CB-OD2 3.46Å; K55-D59 HydrophobicContact CD-CB 4.44Å; K55-D59 HydrophobicContact CG-CB 4.28Å; S56-D59 PolarHBondContact N-OD2 3.31Å; S56-D59 VanDerWaalsContact O-CB 3.31Å; S56-D59 WeakPolarHBondContact O-CB 3.44Å; S56-D59 PolarHBondContact O-N 3.32Å; S56-D59 PolarHBondContact OG-OD2 3.22Å; E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.19Å; D59-Y61 PolarHBondContact O-N 3.22Å; D59-S62 PolarHBondContact O-N 2.9Å; D59-S62 PolarHBondContact O-OG 3.12Å
60K63.3Low61.3Low148 Ų148136.1 Ų136.164%0.64364%0.644SS**G310 helixtrans-63-26.5172.6-65.7176.7-173.1167.60112.2E57 W58E57-K60 WeakPolarHBondContact O-CB 3.47Å; E57-K60 WeakPolarHBondContact O-CG 3.5Å; E57-K60 PolarHBondContact O-N 3.05Å; E57-K60 IonicContact OE1-NZ 2.86Å; E57-K60 PolarHBondContact OE1-NZ 3.36Å; W58-K60 PolarHBondContact O-N 2.93Å
61Y58.3Low61.9Low179 Ų179132.7 Ų132.770%0.70263%0.629SS**G310 helixtrans-111.44.1-178.6-55.5-73.2000113.2W58 D59 M63W58-Y61 PolarHBondContact O-N 3.48Å; W58-Y61 VanDerWaalsContact O-N 3.17Å; D59-Y61 PolarHBondContact O-N 3.22Å; Y61-M63 PolarHBondContact O-N 2.87Å
62S60.3Low62.6Low70 Ų70127 Ų12749%0.4962%0.615SS.*SBendtrans-62.1110.3170.266.60000107W58 D59 I64W58-S62 PolarHBondContact O-N 3.01Å; D59-S62 PolarHBondContact O-N 2.9Å; D59-S62 PolarHBondContact O-OG 3.12Å; S62-I64 PolarHBondContact O-N 3.37Å
63M52.8Low63.1Low182 Ų182128.7 Ų128.790%0.89761%0.612SS**  trans-47.6111175.6-75-75.2177.300106.6Y61 D65Y61-M63 PolarHBondContact O-N 2.87Å; M63-D65 PolarHBondContact O-N 3.02Å
64I59.9Low63.2Low113 Ų113125.9 Ų125.958%0.57960%0.603SS**  trans-37.3116.3174.5-72.6154.8000106.2S62 N68S62-I64 PolarHBondContact O-N 3.37Å; I64-N68 HydrophobicContact CG2-CB 3.29Å
65D59.7Low63.1Low108 Ų108125.7 Ų125.758%0.57860%0.599SS**  trans-15.5129.9-179-172.818.4000112.3M63 S67 N68M63-D65 PolarHBondContact O-N 3.02Å; D65-S67 CarbonylContact O-C 3.52Å; D65-S67 PolarHBondContact O-N 3.42Å; D65-S67 PolarHBondContact OD2-OG 3.26Å; D65-N68 PolarHBondContact O-N 2.9Å
66R59.3Low63.5Low234 Ų234122.4 Ų122.488%0.88360%0.599SS**THydrogen-bonded Turntrans-48.2-17.7-174.7-162.3-176.9-157.3138.42.9113.6W69R66-W69 VanDerWaalsContact O-CD1 3.24Å
67S63.5Low63.3Low60 Ų60123.8 Ų123.842%0.4261%0.609SS.*THydrogen-bonded Turntrans-70.8-17.617165.40000116.3D65 F70D65-S67 CarbonylContact O-C 3.52Å; D65-S67 PolarHBondContact O-N 3.42Å; D65-S67 PolarHBondContact OD2-OG 3.26Å; S67-F70 WeakPolarHBondContact O-CD1 3.35Å; S67-F70 WeakPolarHBondContact O-CE1 3.41Å
68N66Low63.3Low41 Ų41120.5 Ų120.522%0.21960%0.599CS.*SBendtrans-124.74.7-165.7-76.2-52.6000113.8I64 D65 F70 K71I64-N68 HydrophobicContact CG2-CB 3.29Å; D65-N68 PolarHBondContact O-N 2.9Å; N68-F70 PolarHBondContact O-N 3.33Å; N68-K71 HydrophobicContact CB-CD 4.45Å; N68-K71 WeakPolarHBondContact O-CB 3.06Å; N68-K71 PolarHBondContact O-N 3.17Å; N68-K71 WeakPolarHBondContact OD1-CD 2.92Å; N68-K71 VanDerWaalsContact OD1-CE 3.23Å; N68-K71 WeakPolarHBondContact OD1-CE 2.71Å; N68-K71 PolarHBondContact OD1-NZ 3.43Å
69W70.4Confident63.6Low159 Ų159113.7 Ų113.760%0.60258%0.583SS**Hα-helixtrans-57.6-29.217677-81.4000113.4R66 K71 S72R66-W69 VanDerWaalsContact O-CD1 3.24Å; W69-K71 VanDerWaalsContact C-N 3.29Å; W69-K71 PolarHBondContact O-N 2.84Å; W69-S72 PolarHBondContact O-OG 3.08Å
70F70.9Confident63.7Low98 Ų98116 Ų11643%0.4360%0.602SS.*Hα-helixtrans-72.5-24.2177.674.2-94.8000112.3S67 N68 Q73 M74S67-F70 WeakPolarHBondContact O-CD1 3.35Å; S67-F70 WeakPolarHBondContact O-CE1 3.41Å; N68-F70 PolarHBondContact O-N 3.33Å; F70-Q73 PolarHBondContact O-N 3.13Å; F70-M74 HydrophobicContact CD2-SD 4.25Å; F70-M74 PolarHBondContact O-N 2.88Å
71K67.2Low63.7Low123 Ų123115.3 Ų115.354%0.53561%0.61SS.*Hα-helixtrans-73.1-32.8179.2-65.8-175.6178.8165.50112.2N68 W69 Q73 M74N68-K71 HydrophobicContact CB-CD 4.45Å; N68-K71 WeakPolarHBondContact O-CB 3.06Å; N68-K71 PolarHBondContact O-N 3.17Å; N68-K71 WeakPolarHBondContact OD1-CD 2.92Å; N68-K71 VanDerWaalsContact OD1-CE 3.23Å; N68-K71 WeakPolarHBondContact OD1-CE 2.71Å; N68-K71 PolarHBondContact OD1-NZ 3.43Å; W69-K71 VanDerWaalsContact C-N 3.29Å; W69-K71 PolarHBondContact O-N 2.84Å; K71-Q73 PolarHBondContact O-N 3.03Å; K71-M74 PolarHBondContact O-N 3.16Å
72S65.5Low63.8Low87 Ų87116.5 Ų116.561%0.60861%0.613SS**Hα-helixtrans-70.8-19.2173.351.90000113W69W69-S72 PolarHBondContact O-OG 3.08Å
73Q66.4Low63.6Low142 Ų142119.8 Ų119.866%0.66462%0.616SS**Hα-helixtrans-86.6-15.6172.1-73.3-151.3-69.900113.9F70 K71 T75F70-Q73 PolarHBondContact O-N 3.13Å; K71-Q73 PolarHBondContact O-N 3.03Å; Q73-T75 PolarHBondContact O-N 3.43Å
74M66.5Low63.9Low123 Ų123118.2 Ų118.261%0.60661%0.611SS**  trans-86.782.3177.7-72-177.277.500110.8F70 K71 S76F70-M74 HydrophobicContact CD2-SD 4.25Å; F70-M74 PolarHBondContact O-N 2.88Å; K71-M74 PolarHBondContact O-N 3.16Å; M74-S76 PolarHBondContact O-N 3.06Å
75T62.3Low64.1Low124 Ų124119.8 Ų119.876%0.76162%0.619SS**  trans-75.6101.7166.650.90000108.8Q73Q73-T75 PolarHBondContact O-N 3.43Å
76S66.8Low64.1Low111 Ų111121.4 Ų121.478%0.77662%0.623SS**  trans64.9104.9175.566.20000116.5M74M74-S76 PolarHBondContact O-N 3.06Å
77S64.7Low63.5Low88 Ų88121.3 Ų121.362%0.61562%0.623SS**PPolyproline II helixtrans-74.5125.1157.7580000108.2
78P66.7Low62.9Low61 Ų61125 Ų12540%0.39664%0.638SS.*PPolyproline II helixtrans-62.1148.1173.227.2-31.7000109.2Y83P78-Y83 HydrophobicContact CG-CE1 3.85Å; P78-Y83 HydrophobicContact CG-CE2 4.31Å; P78-Y83 WeakPolarHBondContact CG-OH 2.73Å
79S61.6Low62.3Low65 Ų65128.6 Ų128.646%0.45566%0.661SS.*PPolyproline II helixtrans-54.6143.2177.455.10000109.7T81 R82S79-T81 PolarHBondContact O-N 3.34Å; S79-R82 PolarHBondContact O-N 2.67Å
80P66.4Low61.5Low120 Ų120125.3 Ų125.378%0.77966%0.658SS**G310 helixtrans-52.6-21-178.3-25.232.7000113.8
81T63.2Low61Low133 Ų133126.5 Ų126.582%0.81667%0.673SS**G310 helixtrans-83.1-5.5179.9-8.80000115.2S79S79-T81 PolarHBondContact O-N 3.34Å
82R59.4Low60.5Low205 Ų205127.4 Ų127.477%0.77468%0.678SS**G310 helixtrans-103.62.2-174.9-153.3177.1-174.2175.82.4114.3S79 D84S79-R82 PolarHBondContact O-N 2.67Å; R82-D84 PolarHBondContact O-N 3.08Å
83Y56.1Low59.9Low139 Ų139127.9 Ų127.955%0.54568%0.679SS.*  trans-79.7107.9172.7-61.7-77.3000109P78 I85P78-Y83 HydrophobicContact CG-CE1 3.85Å; P78-Y83 HydrophobicContact CG-CE2 4.31Å; P78-Y83 WeakPolarHBondContact CG-OH 2.73Å; Y83-I85 PolarHBondContact O-N 2.82Å
84D59.1Low59.6Low148 Ų148128.5 Ų128.579%0.79169%0.686SS**  trans-73.785.3168.9-143.69.3000107R82 Q86R82-D84 PolarHBondContact O-N 3.08Å; D84-Q86 PolarHBondContact O-N 3.24Å
85I65.3Low58.7Low146 Ų146127.3 Ų127.375%0.74969%0.686SS**  trans-72.582.3177.7-53.7168000106.2Y83 R87Y83-I85 PolarHBondContact O-N 2.82Å; I85-R87 PolarHBondContact O-N 3.06Å
86Q58.2Low58.3Low143 Ų143132.3 Ų132.367%0.66869%0.692SS**  trans-54.8118.8164.1-66.9-175.36.300106.3D84 L88D84-Q86 PolarHBondContact O-N 3.24Å; Q86-L88 PolarHBondContact O-N 3Å
87R48.3Very low57.7Low231 Ų231129.8 Ų129.887%0.87268%0.684SS**  trans-63.579.6173.8-73.3-177.9172.8-139.4-0.3108.3I85 V89I85-R87 PolarHBondContact O-N 3.06Å; R87-V89 HydrophobicContact CB-CG2 4.49Å; R87-V89 PolarHBondContact O-N 3.22Å
88L49.7Very low57.2Low139 Ų139134.6 Ų134.673%0.72869%0.694SS**  trans-71.484.1163.1-65.2175.5000105.5Q86 V90Q86-L88 PolarHBondContact O-N 3Å; L88-V90 HydrophobicContact CB-CG2 4.02Å; L88-V90 PolarHBondContact O-N 3.49Å
89V54.8Low56.6Low116 Ų116139.2 Ų139.270%0.70371%0.708SS**  trans-66.580163.3-1780000105.7R87 V91R87-V89 HydrophobicContact CB-CG2 4.49Å; R87-V89 PolarHBondContact O-N 3.22Å; V89-V91 VanDerWaalsContact C-N 3.3Å; V89-V91 HydrophobicContact CG1-CG2 3.89Å; V89-V91 PolarHBondContact O-N 3.07Å
90V53.7Low56.1Low89 Ų89142.5 Ų142.554%0.53972%0.72SS.*  trans-77.892.8170-171.20000105.9L88 H92L88-V90 HydrophobicContact CB-CG2 4.02Å; L88-V90 PolarHBondContact O-N 3.49Å; V90-H92 VanDerWaalsContact C-N 3.3Å; V90-H92 WeakPolarHBondContact CG1-CE1 2.6Å; V90-H92 PolarHBondContact O-N 3.04Å; V90-H92 PolarHBondContact O-ND1 2.9Å
91V60.1Low55.6Low123 Ų123144.1 Ų144.175%0.74573%0.728SS**  trans-64.993.8168.3-177.30000107V89V89-V91 VanDerWaalsContact C-N 3.3Å; V89-V91 HydrophobicContact CG1-CG2 3.89Å; V89-V91 PolarHBondContact O-N 3.07Å
92H55.8Low55.2Low142 Ų142141.2 Ų141.266%0.65773%0.725SS**  trans-80.4125.1169.8-64.384.3000107.9V90 I94V90-H92 VanDerWaalsContact C-N 3.3Å; V90-H92 WeakPolarHBondContact CG1-CE1 2.6Å; V90-H92 PolarHBondContact O-N 3.04Å; V90-H92 PolarHBondContact O-ND1 2.9Å; H92-I94 PolarHBondContact O-N 3.47Å
93P52.6Low55Low97 Ų97141.5 Ų141.563%0.6373%0.726SS**  trans-61.3127.8167.125.9-31.6000108T95P93-T95 VanDerWaalsContact C-N 3.27Å; P93-T95 HydrophobicContact CB-CG2 4.12Å; P93-T95 HydrophobicContact CG-CG2 4.17Å; P93-T95 PolarHBondContact O-N 3.34Å; P93-T95 PolarHBondContact O-OG1 2.62Å
94I59.4Low54.7Low155 Ų155142.8 Ų142.880%0.79574%0.739SS**  trans-65.787.5178.5-56.1169.5000107.6H92H92-I94 PolarHBondContact O-N 3.47Å
95T47.9Very low54.5Low99 Ų99146.9 Ų146.961%0.60774%0.743SS**  trans-95.9-8.8-170.539.60000114.8P93P93-T95 VanDerWaalsContact C-N 3.27Å; P93-T95 HydrophobicContact CB-CG2 4.12Å; P93-T95 HydrophobicContact CG-CG2 4.17Å; P93-T95 PolarHBondContact O-N 3.34Å; P93-T95 PolarHBondContact O-OG1 2.62Å
96Y53.9Low53.9Low228 Ų228147.8 Ų147.889%0.89474%0.744SS**  trans-149.880.8177.1-68.2-84.1000111.8
97G54.4Low53.4Low58 Ų58144.2 Ų144.260%0.59873%0.734SS**  trans-105.5118170.700000111.3K99G97-K99 PolarHBondContact O-N 3.26Å
98F55.5Low53.7Low190 Ų190138 Ų13883%0.83373%0.726SS**SBendtrans-63.6104.4170.4-178-99.4000109.3
99K53.9Low54Low158 Ų158133 Ų13369%0.68770%0.702SS**SBendtrans46.190.6162.4-58.1-176.2177.8-174.60115.4G97G97-K99 PolarHBondContact O-N 3.26Å
100N51Low54.1Low133 Ų133133.1 Ų133.171%0.71169%0.693SS**  trans-177.238146.7-89.6-17.9000113.8G102N100-G102 PolarHBondContact O-N 3.49Å
101T54.5Low54.3Low154 Ų154132.2 Ų132.295%0.94569%0.688SS**THydrogen-bonded Turntrans-70.618.1-175.944.20000115.9
102G54.9Low54.4Low73 Ų73134.8 Ų134.875%0.75370%0.697SS**THydrogen-bonded Turntrans-128.17.118000000115.9N100N100-G102 PolarHBondContact O-N 3.49Å
103R55.1Low54.8Low210 Ų210132 Ų13279%0.79269%0.687SS**  trans-127.315.7-172.7-70.5-172.6-179.5179.51.1116R105R103-R105 VanDerWaalsContact C-N 3.28Å; R103-R105 PolarHBondContact O-N 2.92Å
104M51.1Low55.4Low166 Ų166128.9 Ų128.982%0.81867%0.673SS**  trans-7480.9168.7-90-176.864.100110.5
105R54.7Low55.7Low235 Ų235126.2 Ų126.289%0.88766%0.66SS**  trans-81.5124.9149.4-74.1-170.4-178.3172.20.5106.4R103 C107R103-R105 VanDerWaalsContact C-N 3.28Å; R103-R105 PolarHBondContact O-N 2.92Å; R105-C107 VanDerWaalsContact C-N 3.32Å; R105-C107 PolarHBondContact O-N 3.48Å
106Q51.9Low56.5Low165 Ų165125.3 Ų125.377%0.77165%0.645SS**  trans-51.596.2169.5-68.3-83.24.500108.2S108Q106-S108 PolarHBondContact O-N 3.22Å
107C48.2Very low57.2Low67 Ų67120.7 Ų120.745%0.45364%0.635SS.*  trans-76.489.2162.6-168.70000105R105 T109 F110R105-C107 VanDerWaalsContact C-N 3.32Å; R105-C107 PolarHBondContact O-N 3.48Å; C107-T109 PolarHBondContact O-N 3.07Å; C107-F110 PolarHBondContact O-N 2.98Å
108S54.5Low58.1Low101 Ų101122.5 Ų122.571%0.70663%0.631SS**THydrogen-bonded Turntrans-60.8-6.2179.553.50000113.3Q106 F110Q106-S108 PolarHBondContact O-N 3.22Å; S108-F110 VanDerWaalsContact C-N 3.33Å
109T56.1Low58.7Low35 Ų35119.4 Ų119.422%0.21563%0.63CS.*THydrogen-bonded Turntrans-73.3-23.3-178.6-41.30000113.1C107 K130C107-T109 PolarHBondContact O-N 3.07Å; T109-K130 HydrophobicContact CG2-CB 3.78Å; T109-K130 HydrophobicContact CG2-CD 3.73Å; T109-K130 HydrophobicContact CG2-CG 3.91Å
110F55.9Low59.4Low117 Ų117115.7 Ų115.751%0.51364%0.636SS.*SBendtrans-126.289.8177.2-61.1-78.2000109.8C107 S108C107-F110 PolarHBondContact O-N 2.98Å; S108-F110 VanDerWaalsContact C-N 3.33Å
111T59.6Low60.1Low70 Ų70110.8 Ų110.843%0.42961%0.614SS.*  trans-66.8139.9170.7420000110.3D113T111-D113 WeakPolarHBondContact CB-OD2 3.34Å; T111-D113 PolarHBondContact O-N 3.36Å; T111-D113 PolarHBondContact OG1-OD1 2.83Å; T111-D113 VanDerWaalsContact OG1-OD1 3.09Å; T111-D113 PolarHBondContact OG1-OD2 3.12Å
112N60.7Low60.5Low178 Ų178110.3 Ų110.395%0.95260%0.596SS**THydrogen-bonded Turntrans-74.617.9175.4-69.1-32.3000112.9G114N112-G114 PolarHBondContact O-N 2.7Å
113D65.7Low61Low82 Ų82111.1 Ų111.144%0.43958%0.583SS.*THydrogen-bonded Turntrans-78.9-5.3-174.955.518.5000113.3T111 L115T111-D113 WeakPolarHBondContact CB-OD2 3.34Å; T111-D113 PolarHBondContact O-N 3.36Å; T111-D113 PolarHBondContact OG1-OD1 2.83Å; T111-D113 VanDerWaalsContact OG1-OD1 3.09Å; T111-D113 PolarHBondContact OG1-OD2 3.12Å; D113-L115 HydrophobicContact CB-CD1 4.31Å; D113-L115 HydrophobicContact CB-CG 4.11Å; D113-L115 PolarHBondContact O-N 3.03Å; D113-L115 WeakPolarHBondContact OD1-CB 3.31Å; D113-L115 PolarHBondContact OD1-N 2.68Å; D113-L115 VanDerWaalsContact OD1-N 3.12Å; D113-L115 WeakPolarHBondContact OD2-CD1 2.91Å
114G64.5Low61.4Low32 Ų32105.9 Ų105.933%0.3357%0.574SS.*SBendtrans705.1178.600000113.7N112 W116 L117N112-G114 PolarHBondContact O-N 2.7Å; G114-W116 PolarHBondContact O-N 2.71Å; G114-L117 WeakPolarHBondContact O-CB 3Å; G114-L117 PolarHBondContact O-N 2.7Å
115L65.7Low62.2Low99 Ų99102.3 Ų102.352%0.51856%0.562SS.*G310 helixtrans-63.2-31-179.5-66.2177.4000111.4D113 L117 L118 A121D113-L115 HydrophobicContact CB-CD1 4.31Å; D113-L115 HydrophobicContact CB-CG 4.11Å; D113-L115 PolarHBondContact O-N 3.03Å; D113-L115 WeakPolarHBondContact OD1-CB 3.31Å; D113-L115 PolarHBondContact OD1-N 2.68Å; D113-L115 VanDerWaalsContact OD1-N 3.12Å; D113-L115 WeakPolarHBondContact OD2-CD1 2.91Å; L115-L117 PolarHBondContact O-N 2.98Å; L115-L118 HydrophobicContact CD2-CD1 4.07Å; L115-L118 PolarHBondContact O-N 2.85Å; L115-A121 VanDerWaalsContact O-CB 3.25Å; L115-A121 WeakPolarHBondContact O-CB 3.47Å
116W65.3Low62.7Low80 Ų8095 Ų9530%0.30354%0.538SS..G310 helixtrans-68.1-11.2175.2-62104.6000114.9G114G114-W116 PolarHBondContact O-N 2.71Å
117L69Low63.4Low131 Ų13189.9 Ų89.969%0.68652%0.518SS*.G310 helixtrans-93.2-7.3178.6-59.7176.7000112.8G114 L115 Y122G114-L117 WeakPolarHBondContact O-CB 3Å; G114-L117 PolarHBondContact O-N 2.7Å; L115-L117 PolarHBondContact O-N 2.98Å; L117-Y122 PolarHBondContact O-OH 3.35Å
118L72.8Confident64.4Low96 Ų9691 Ų9150%0.50352%0.519SS..SBendtrans-75.1139.5-177.3-63.2175.5000111.4L115 G120 A121 Y122L115-L118 HydrophobicContact CD2-CD1 4.07Å; L115-L118 PolarHBondContact O-N 2.85Å; L118-G120 PolarHBondContact O-N 2.94Å; L118-A121 HydrophobicContact CB-CB 4.45Å; L118-A121 WeakPolarHBondContact O-CB 3.36Å; L118-A121 PolarHBondContact O-N 3.39Å; L118-Y122 VanDerWaalsContact O-CE2 3.31Å; L118-Y122 WeakPolarHBondContact O-CE2 3.31Å
119P68.3Low65.3Low126 Ų12692 Ų9282%0.81851%0.513SS*.THydrogen-bonded Turntrans-55.7122.8169.7-19.830.7000110
120G68.2Low65.8Low79 Ų7992.9 Ų92.981%0.81451%0.514SS*.THydrogen-bonded Turntrans100.6-10.6-176.600000115.6L118 Y122L118-G120 PolarHBondContact O-N 2.94Å; G120-Y122 VanDerWaalsContact C-N 3.3Å
121A65Low66.4Low31 Ų3191 Ų9126%0.25651%0.509SS..  trans-83.7-4.9173.200000113.7L115 L118 N123L115-A121 VanDerWaalsContact O-CB 3.25Å; L115-A121 WeakPolarHBondContact O-CB 3.47Å; L118-A121 HydrophobicContact CB-CB 4.45Å; L118-A121 WeakPolarHBondContact O-CB 3.36Å; L118-A121 PolarHBondContact O-N 3.39Å; A121-N123 VanDerWaalsContact C-N 3.28Å; A121-N123 PolarHBondContact O-N 3.33Å; A121-N123 VanDerWaalsContact O-N 3.08Å
122Y63.9Low66.8Low143 Ų14393.6 Ų93.656%0.56152%0.52SS*.  trans-84.962.1179.4-53.5-83.9000111.1L117 L118 G120 V124L117-Y122 PolarHBondContact O-OH 3.35Å; L118-Y122 VanDerWaalsContact O-CE2 3.31Å; L118-Y122 WeakPolarHBondContact O-CE2 3.31Å; G120-Y122 VanDerWaalsContact C-N 3.3Å; Y122-V124 PolarHBondContact O-N 2.72Å; Y122-V124 VanDerWaalsContact O-N 3.16Å
123N65.8Low67.4Low91 Ų9192.4 Ų92.449%0.48751%0.509SS..  trans-79.897.2169.4-157.36.7000108.7A121 T125 E126A121-N123 VanDerWaalsContact C-N 3.28Å; A121-N123 PolarHBondContact O-N 3.33Å; A121-N123 VanDerWaalsContact O-N 3.08Å; N123-T125 PolarHBondContact O-N 3.17Å; N123-T125 VanDerWaalsContact O-N 3.15Å; N123-T125 PolarHBondContact OD1-OG1 2.95Å; N123-E126 PolarHBondContact O-N 2.84Å; N123-E126 VanDerWaalsContact O-N 3.13Å
124V62.9Low67.1Low99 Ų9990.4 Ų90.460%0.650%0.501SS*.Hα-helixtrans-57.8-31-172.4-179.20000112Y122 E126 V127 D128Y122-V124 PolarHBondContact O-N 2.72Å; Y122-V124 VanDerWaalsContact O-N 3.16Å; V124-E126 VanDerWaalsContact C-N 3.34Å; V124-E126 PolarHBondContact O-N 3.3Å; V124-V127 PolarHBondContact O-N 3.35Å; V124-D128 PolarHBondContact O-N 2.88Å
125T67.7Low67Low92 Ų9297 Ų9756%0.56452%0.522SS*.Hα-helixtrans-64-37.4179.954.40000112.8N123 V127N123-T125 PolarHBondContact O-N 3.17Å; N123-T125 VanDerWaalsContact O-N 3.15Å; N123-T125 PolarHBondContact OD1-OG1 2.95Å; T125-V127 VanDerWaalsContact C-N 3.34Å
126E66Low66.8Low80 Ų80100.9 Ų100.937%0.37453%0.53SS..Hα-helixtrans-77.2-25.3-178.7-140-170.9153.800111.9N123 V124 K130N123-E126 PolarHBondContact O-N 2.84Å; N123-E126 VanDerWaalsContact O-N 3.13Å; V124-E126 VanDerWaalsContact C-N 3.34Å; V124-E126 PolarHBondContact O-N 3.3Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.49Å; E126-K130 VanDerWaalsContact O-CG 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.29Å; E126-K130 PolarHBondContact O-N 2.86Å; E126-K130 VanDerWaalsContact O-N 3.13Å; E126-K130 VanDerWaalsContact OE1-CE 3.31Å; E126-K130 WeakPolarHBondContact OE1-CE 3.39Å; E126-K130 IonicContact OE1-NZ 2.71Å; E126-K130 PolarHBondContact OE1-NZ 3.09Å
127V65.9Low66.6Low58 Ų58103.2 Ų103.235%0.35255%0.554SS.*Hα-helixtrans-68.3-46.5178.8178.70000110.4V124 T125 K130 L131V124-V127 PolarHBondContact O-N 3.35Å; T125-V127 VanDerWaalsContact C-N 3.34Å; V127-K130 PolarHBondContact O-N 3.47Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.23Å; V127-L131 WeakPolarHBondContact O-CB 3.46Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.4Å
128D69Low66Low91 Ų91102.8 Ų102.849%0.48754%0.544SS..Hα-helixtrans-67.3-41.8-178.7-73.8-25.6000112V124 K130 L131 N132V124-D128 PolarHBondContact O-N 2.88Å; D128-K130 PolarHBondContact O-N 3.07Å; D128-L131 PolarHBondContact O-N 3.42Å; D128-N132 WeakPolarHBondContact O-CB 3.32Å; D128-N132 PolarHBondContact O-N 2.96Å; D128-N132 PolarHBondContact O-ND2 3.5Å
129E72.7Confident65.3Low123 Ų123101.8 Ų101.858%0.57555%0.545SS*.Hα-helixtrans-60-44.8174.9-71.9-177.4172.600111.7N132 Q133E129-N132 PolarHBondContact O-N 2.91Å; E129-Q133 WeakPolarHBondContact O-CG 3.44Å; E129-Q133 PolarHBondContact O-N 3.01Å; E129-Q133 VanDerWaalsContact O-N 3.07Å
130K66.8Low64.8Low52 Ų52103.6 Ų103.623%0.22654%0.54CS..Hα-helixtrans-69.7-36.3178-77.4175.1-178.6172.10112.8T109 E126 V127 D128 N132 Q133 C134T109-K130 HydrophobicContact CG2-CB 3.78Å; T109-K130 HydrophobicContact CG2-CD 3.73Å; T109-K130 HydrophobicContact CG2-CG 3.91Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.49Å; E126-K130 VanDerWaalsContact O-CG 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.29Å; E126-K130 PolarHBondContact O-N 2.86Å; E126-K130 VanDerWaalsContact O-N 3.13Å; E126-K130 VanDerWaalsContact OE1-CE 3.31Å; E126-K130 WeakPolarHBondContact OE1-CE 3.39Å; E126-K130 IonicContact OE1-NZ 2.71Å; E126-K130 PolarHBondContact OE1-NZ 3.09Å; V127-K130 PolarHBondContact O-N 3.47Å; D128-K130 PolarHBondContact O-N 3.07Å; K130-N132 VanDerWaalsContact C-N 3.26Å; K130-N132 PolarHBondContact O-N 2.69Å; K130-Q133 PolarHBondContact O-N 2.88Å; K130-C134 PolarHBondContact O-N 2.79Å; K130-C134 PolarHBondContact O-SG 3.43Å
131L68.1Low64.3Low78 Ų78107.5 Ų107.541%0.40853%0.534SS..Hα-helixtrans-64.4-31.8173.4-77.7175.1000112.2V127 D128V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.23Å; V127-L131 WeakPolarHBondContact O-CB 3.46Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.4Å; D128-L131 PolarHBondContact O-N 3.42Å
132N69.5Low63.9Low124 Ų124113.3 Ų113.366%0.66356%0.561SS**Hα-helixtrans-78.6-29176.4-70.2-33.9000113D128 E129 K130D128-N132 WeakPolarHBondContact O-CB 3.32Å; D128-N132 PolarHBondContact O-N 2.96Å; D128-N132 PolarHBondContact O-ND2 3.5Å; E129-N132 PolarHBondContact O-N 2.91Å; K130-N132 VanDerWaalsContact C-N 3.26Å; K130-N132 PolarHBondContact O-N 2.69Å
133Q72.5Confident63.8Low154 Ų154112.8 Ų112.872%0.7257%0.568SS**Hα-helixtrans-73-27.9173.5-72173.219.900112.9E129 K130 H135E129-Q133 WeakPolarHBondContact O-CG 3.44Å; E129-Q133 PolarHBondContact O-N 3.01Å; E129-Q133 VanDerWaalsContact O-N 3.07Å; K130-Q133 PolarHBondContact O-N 2.88Å; Q133-H135 PolarHBondContact O-N 3.05Å
134C60.1Low63.5Low40 Ų40114.1 Ų114.127%0.2758%0.581SS.*SBendtrans-71.6112.3177.2-68.90000110.7K130 R136K130-C134 PolarHBondContact O-N 2.79Å; K130-C134 PolarHBondContact O-SG 3.43Å; C134-R136 PolarHBondContact O-N 3.14Å
135H61.2Low63.2Low169 Ų169119 Ų11978%0.78259%0.589SS**  trans-58.4104.3169.6-174.2-80.8000109.2Q133 T137Q133-H135 PolarHBondContact O-N 3.05Å; H135-T137 PolarHBondContact O-N 2.8Å
136R62.4Low62.8Low181 Ų181122.3 Ų122.368%0.68360%0.595SS**  trans-59.2100.2179.3-65.3-176.6-175.2176.91.9108.7C134 Y138C134-R136 PolarHBondContact O-N 3.14Å; R136-Y138 PolarHBondContact O-N 3.01Å
137T59.9Low62.4Low130 Ų130122.5 Ų122.580%0.79861%0.605SS**SBendtrans-68.9-1.6176.145.90000112.8H135H135-T137 PolarHBondContact O-N 2.8Å
138Y57Low62.1Low121 Ų121126 Ų12648%0.47562%0.622SS.*  trans-151.8103.8-168.6170-94.8000106.6R136 F140R136-Y138 PolarHBondContact O-N 3.01Å; Y138-F140 AromaticContact CE1-CD2 3.71Å; Y138-F140 HydrophobicContact CE1-CD2 3.71Å; Y138-F140 HydrophobicContact CE1-CE1 4.29Å; Y138-F140 AromaticContact CE1-CE2 3.31Å; Y138-F140 HydrophobicContact CE1-CE2 3.31Å; Y138-F140 HydrophobicContact CE1-CG 4.33Å; Y138-F140 AromaticContact CE1-CZ 3.65Å; Y138-F140 HydrophobicContact CE1-CZ 3.65Å; Y138-F140 AromaticContact CE2-CD1 3.96Å; Y138-F140 HydrophobicContact CE2-CD1 3.96Å; Y138-F140 HydrophobicContact CE2-CD2 4.48Å; Y138-F140 AromaticContact CE2-CE1 3.42Å; Y138-F140 HydrophobicContact CE2-CE1 3.42Å; Y138-F140 VanDerWaalsContact CE2-CE1 3.42Å; Y138-F140 HydrophobicContact CE2-CE2 4.03Å; Y138-F140 HydrophobicContact CE2-CG 4.44Å; Y138-F140 AromaticContact CE2-CZ 3.47Å; Y138-F140 HydrophobicContact CE2-CZ 3.47Å; Y138-F140 VanDerWaalsContact CE2-CZ 3.47Å; Y138-F140 AromaticContact CZ-CD1 3.5Å; Y138-F140 AromaticContact CZ-CD2 3.32Å; Y138-F140 AromaticContact CZ-CE1 3.13Å; Y138-F140 AromaticContact CZ-CE2 2.93Å; Y138-F140 AromaticContact CZ-CG 3.57Å; Y138-F140 AromaticContact CZ-CZ 2.83Å; Y138-F140 VanDerWaalsContact OH-CA 3.31Å; Y138-F140 WeakPolarHBondContact OH-CA 3.23Å; Y138-F140 WeakPolarHBondContact OH-CB 3.34Å; Y138-F140 WeakPolarHBondContact OH-CD1 3.35Å; Y138-F140 WeakPolarHBondContact OH-CD2 3.44Å; Y138-F140 WeakPolarHBondContact OH-CE1 3.22Å; Y138-F140 WeakPolarHBondContact OH-CE2 3.4Å; Y138-F140 WeakPolarHBondContact OH-CG 3.15Å; Y138-F140 WeakPolarHBondContact OH-CZ 3.1Å; Y138-F140 PolarHBondContact OH-N 3.41Å
139S58.6Low61.5Low75 Ų75127.2 Ų127.252%0.52463%0.629SS.*  trans-120.2112.8167.456.30000107K141S139-K141 PolarHBondContact O-N 3.02Å
140F57.4Low60.7Low164 Ų164126 Ų12672%0.71963%0.625SS**  trans-67.292.1155-57.8-60.8000100.4Y138 N142Y138-F140 AromaticContact CE1-CD2 3.71Å; Y138-F140 HydrophobicContact CE1-CD2 3.71Å; Y138-F140 HydrophobicContact CE1-CE1 4.29Å; Y138-F140 AromaticContact CE1-CE2 3.31Å; Y138-F140 HydrophobicContact CE1-CE2 3.31Å; Y138-F140 HydrophobicContact CE1-CG 4.33Å; Y138-F140 AromaticContact CE1-CZ 3.65Å; Y138-F140 HydrophobicContact CE1-CZ 3.65Å; Y138-F140 AromaticContact CE2-CD1 3.96Å; Y138-F140 HydrophobicContact CE2-CD1 3.96Å; Y138-F140 HydrophobicContact CE2-CD2 4.48Å; Y138-F140 AromaticContact CE2-CE1 3.42Å; Y138-F140 HydrophobicContact CE2-CE1 3.42Å; Y138-F140 VanDerWaalsContact CE2-CE1 3.42Å; Y138-F140 HydrophobicContact CE2-CE2 4.03Å; Y138-F140 HydrophobicContact CE2-CG 4.44Å; Y138-F140 AromaticContact CE2-CZ 3.47Å; Y138-F140 HydrophobicContact CE2-CZ 3.47Å; Y138-F140 VanDerWaalsContact CE2-CZ 3.47Å; Y138-F140 AromaticContact CZ-CD1 3.5Å; Y138-F140 AromaticContact CZ-CD2 3.32Å; Y138-F140 AromaticContact CZ-CE1 3.13Å; Y138-F140 AromaticContact CZ-CE2 2.93Å; Y138-F140 AromaticContact CZ-CG 3.57Å; Y138-F140 AromaticContact CZ-CZ 2.83Å; Y138-F140 VanDerWaalsContact OH-CA 3.31Å; Y138-F140 WeakPolarHBondContact OH-CA 3.23Å; Y138-F140 WeakPolarHBondContact OH-CB 3.34Å; Y138-F140 WeakPolarHBondContact OH-CD1 3.35Å; Y138-F140 WeakPolarHBondContact OH-CD2 3.44Å; Y138-F140 WeakPolarHBondContact OH-CE1 3.22Å; Y138-F140 WeakPolarHBondContact OH-CE2 3.4Å; Y138-F140 WeakPolarHBondContact OH-CG 3.15Å; Y138-F140 WeakPolarHBondContact OH-CZ 3.1Å; Y138-F140 PolarHBondContact OH-N 3.41Å; F140-N142 PolarHBondContact O-N 3.41Å
141K57Low60Low161 Ų161130.7 Ų130.770%0.765%0.652SS**  trans-57.4110.1160-69.4-158178.5-172.50103.3S139 L143S139-K141 PolarHBondContact O-N 3.02Å; K141-L143 HydrophobicContact CB-CD1 3.96Å; K141-L143 HydrophobicContact CB-CG 4.35Å; K141-L143 PolarHBondContact O-N 3.21Å
142N56.5Low59.2Low154 Ų154137.8 Ų137.882%0.82468%0.68SS**  trans-62.672160.3-81.9-18.5000105.7F140F140-N142 PolarHBondContact O-N 3.41Å
143L62.1Low58.6Low132 Ų132134.7 Ų134.769%0.69168%0.677SS**  trans-61.4124.5157.1-78.3128.6000103.9K141 R145K141-L143 HydrophobicContact CB-CD1 3.96Å; K141-L143 HydrophobicContact CB-CG 4.35Å; K141-L143 PolarHBondContact O-N 3.21Å; L143-R145 PolarHBondContact O-N 3.07Å
144P59.9Low57.8Low118 Ų118134.1 Ų134.177%0.76668%0.678SS**  trans-53.9115.2170.822.7-30.8000106.2K146P144-K146 PolarHBondContact O-N 2.94Å
145R57.6Low57.6Low202 Ų202136.2 Ų136.276%0.76268%0.684SS**  trans-54.2118.7175.1-76.8178.4-90.7-124.96106.3L143 S147 I150L143-R145 PolarHBondContact O-N 3.07Å; R145-S147 PolarHBondContact O-N 3.28Å; R145-S147 VanDerWaalsContact O-N 3.08Å; R145-I150 HydrophobicContact CB-CD1 3.91Å; R145-I150 HydrophobicContact CG-CD1 3.47Å; R145-I150 VanDerWaalsContact CG-CD1 3.47Å
146K58.4Low57.7Low161 Ų161134.7 Ų134.770%0.768%0.681SS**  trans-53.2122.2167.9-67.9-176.9-177.9-179.90105.5P144 N148 D149P144-K146 PolarHBondContact O-N 2.94Å; K146-N148 PolarHBondContact O-N 2.91Å; K146-D149 PolarHBondContact O-N 2.79Å; K146-D149 VanDerWaalsContact O-N 3.17Å
147S57.6Low57.8Low84 Ų84134.3 Ų134.359%0.58769%0.685SS**THydrogen-bonded Turntrans-56.8-13.1-169.253.80000114.2R145 Q155R145-S147 PolarHBondContact O-N 3.28Å; R145-S147 VanDerWaalsContact O-N 3.08Å; S147-Q155 PolarHBondContact O-NE2 2.98Å
148N60Low58.1Low131 Ų131134.2 Ų134.270%0.70168%0.68SS**THydrogen-bonded Turntrans-104.8-5.5-172.2-65.47.3000114.1K146K146-N148 PolarHBondContact O-N 2.91Å
149D56.9Low58.5Low117 Ų117132.5 Ų132.563%0.62668%0.678SS**SBendtrans-104.77.3-166.3-66.9-12.4000114.7K146K146-D149 PolarHBondContact O-N 2.79Å; K146-D149 VanDerWaalsContact O-N 3.17Å
150I55.4Low59Low99 Ų99134.8 Ų134.851%0.50869%0.693SS.*SBendtrans-131.6111.6-177.1-65.6163.1000109.9R145R145-I150 HydrophobicContact CB-CD1 3.91Å; R145-I150 HydrophobicContact CG-CD1 3.47Å; R145-I150 VanDerWaalsContact CG-CD1 3.47Å
151L52.5Low59.8Low150 Ų150131.1 Ų131.179%0.78568%0.68SS**  trans76.3113177.4-80.6126.6000116.3G153L151-G153 VanDerWaalsContact C-N 3.3Å; L151-G153 PolarHBondContact O-N 3.3Å
152F51.2Low60.6Low227 Ų227125.8 Ų125.8100%0.99667%0.666SS**SBendtrans-47.896.6146.1-79.7-98.3000108.8
153G55.8Low61.6Low58 Ų58125 Ų12560%0.59867%0.669SS**SBendtrans163142.2-177.900000111.7L151 Q155L151-G153 VanDerWaalsContact C-N 3.3Å; L151-G153 PolarHBondContact O-N 3.3Å; G153-Q155 PolarHBondContact O-N 2.87Å
154L56.7Low62.3Low142 Ų142121.7 Ų121.774%0.74367%0.668SS**  trans-50.2128.7176.5-86.1143.6000111D156L154-D156 PolarHBondContact O-N 3.47Å
155Q56.4Low63.3Low84 Ų84121.8 Ų121.839%0.39366%0.658SS.*  trans-61.8135.2172.9-66.9-174.14.500110.1S147 G153 K157 N158S147-Q155 PolarHBondContact O-NE2 2.98Å; G153-Q155 PolarHBondContact O-N 2.87Å; Q155-K157 PolarHBondContact O-N 3.32Å; Q155-N158 PolarHBondContact O-N 3.3Å
156D62.3Low64Low137 Ų137119.7 Ų119.773%0.73365%0.651SS**G310 helixtrans-49.5-24.2174.1-77.4-16000113.4L154 N158 L159L154-D156 PolarHBondContact O-N 3.47Å; D156-N158 PolarHBondContact O-N 3.18Å; D156-L159 WeakPolarHBondContact O-CB 3.33Å; D156-L159 PolarHBondContact O-N 2.88Å
157K65Low64.7Low174 Ų174115.5 Ų115.576%0.75764%0.636SS**G310 helixtrans-64-21.5179.4-62-175.4-179.3-178.40114.1Q155Q155-K157 PolarHBondContact O-N 3.32Å
158N64.9Low65.3Low128 Ų128115.7 Ų115.768%0.68464%0.636SS**G310 helixtrans-99.82.2173.2-64.3-25.7000112.3Q155 D156 C160Q155-N158 PolarHBondContact O-N 3.3Å; D156-N158 PolarHBondContact O-N 3.18Å; N158-C160 PolarHBondContact O-N 2.86Å
159L66.4Low65.8Low84 Ų84116.2 Ų116.244%0.4463%0.628SS.*  trans-98.485.5-176.9-137.293.6000109.6D156 L161D156-L159 WeakPolarHBondContact O-CB 3.33Å; D156-L159 PolarHBondContact O-N 2.88Å; L159-L161 HydrophobicContact CD2-CD1 3.53Å; L159-L161 HydrophobicContact CD2-CG 4Å; L159-L161 HydrophobicContact CG-CD1 4.04Å; L159-L161 HydrophobicContact CG-CG 4.09Å; L159-L161 PolarHBondContact O-N 3.06Å
160C68.4Low66Low124 Ų124112.8 Ų112.884%0.83862%0.621SS**  trans-77.560174.2-66.60000111.6N158N158-C160 PolarHBondContact O-N 2.86Å
161L74.1Confident66.5Low86 Ų86114.1 Ų114.145%0.4563%0.629SS.*PPolyproline II helixtrans-102.5125.5174.2-60.1-177.6000110L159 Q165L159-L161 HydrophobicContact CD2-CD1 3.53Å; L159-L161 HydrophobicContact CD2-CG 4Å; L159-L161 HydrophobicContact CG-CD1 4.04Å; L159-L161 HydrophobicContact CG-CG 4.09Å; L159-L161 PolarHBondContact O-N 3.06Å; L161-Q165 HydrophobicContact CB-CB 4.16Å; L161-Q165 HydrophobicContact CD2-CB 4.18Å
162A75.2Confident66.9Low49 Ų49114.3 Ų114.341%0.40563%0.626SS.*PPolyproline II helixtrans-69.5156.2168.900000110.6G164 Q165A162-G164 PolarHBondContact O-N 2.86Å; A162-G164 VanDerWaalsContact O-N 3.12Å; A162-Q165 HydrophobicContact CB-CG 4.18Å; A162-Q165 VanDerWaalsContact CB-OE1 3.31Å; A162-Q165 WeakPolarHBondContact O-CB 3.16Å; A162-Q165 PolarHBondContact O-N 3.42Å
163P77.8Confident67Low137 Ų137111.5 Ų111.589%0.8961%0.609SS**THydrogen-bonded Turntrans-51.4122.3172.3-24.533.5000110.8
164G76.7Confident67.2Low64 Ų64112.9 Ų112.966%0.6660%0.601SS**THydrogen-bonded Turntrans97.5-6.1-176.600000115.9A162A162-G164 PolarHBondContact O-N 2.86Å; A162-G164 VanDerWaalsContact O-N 3.12Å
165Q79.5Confident67.3Low119 Ų119114.8 Ų114.856%0.55660%0.604SS**  trans-92.5-3.4175.6-66.5-173.5-52.100114.2L161 A162 N167L161-Q165 HydrophobicContact CB-CB 4.16Å; L161-Q165 HydrophobicContact CD2-CB 4.18Å; A162-Q165 HydrophobicContact CB-CG 4.18Å; A162-Q165 VanDerWaalsContact CB-OE1 3.31Å; A162-Q165 WeakPolarHBondContact O-CB 3.16Å; A162-Q165 PolarHBondContact O-N 3.42Å; Q165-N167 PolarHBondContact O-N 3.17Å
166Y73.7Confident67.4Low159 Ų159118.8 Ų118.862%0.62462%0.62SS**  trans-73.2124.7168.763.6-87.4000108.3P168Y166-P168 HydrophobicContact CD2-CB 4.35Å; Y166-P168 HydrophobicContact CE2-CB 4.43Å; Y166-P168 WeakPolarHBondContact O-CD 3.48Å
167N71.5Confident67.2Low73 Ų73116.3 Ų116.339%0.3961%0.61SS.*  trans-86.1104.5167.8-177.67.4000107.6Q165 Y169 I174Q165-N167 PolarHBondContact O-N 3.17Å; N167-Y169 PolarHBondContact ND2-O 2.75Å; N167-Y169 PolarHBondContact O-N 2.75Å; N167-Y169 VanDerWaalsContact O-N 3.17Å; N167-Y169 PolarHBondContact OD1-N 2.77Å; N167-Y169 VanDerWaalsContact OD1-N 3.14Å; N167-Y169 PolarHBondContact OD1-O 2.74Å; N167-I174 WeakPolarHBondContact ND2-CD1 3.31Å
168P70.2Confident66.8Low88 Ų88115.9 Ų115.957%0.57161%0.611SS**SBendtrans-66.8-14.7-179.528.3-34.6000112.4Y166Y166-P168 HydrophobicContact CD2-CB 4.35Å; Y166-P168 HydrophobicContact CE2-CB 4.43Å; Y166-P168 WeakPolarHBondContact O-CD 3.48Å
169Y70.3Confident66.4Low141 Ų141116.4 Ų116.455%0.55361%0.613SS**SBendtrans-110.898.6177.8-51.7-72.7000108.1N167 W173N167-Y169 PolarHBondContact ND2-O 2.75Å; N167-Y169 PolarHBondContact O-N 2.75Å; N167-Y169 VanDerWaalsContact O-N 3.17Å; N167-Y169 PolarHBondContact OD1-N 2.77Å; N167-Y169 VanDerWaalsContact OD1-N 3.14Å; N167-Y169 PolarHBondContact OD1-O 2.74Å; Y169-W173 HydrophobicContact CD1-CD2 4.42Å; Y169-W173 HydrophobicContact CD1-CE3 4.11Å
170G62.8Low66Low45 Ų45117.3 Ų117.346%0.46462%0.623SS.*  trans-46.8151.6-178.900000112.7E172 W173G170-E172 PolarHBondContact O-N 3.02Å; G170-W173 WeakPolarHBondContact O-CB 3.45Å; G170-W173 PolarHBondContact O-N 2.92Å
171D64Low65.3Low127 Ų127116.4 Ų116.468%0.67961%0.614SS**Hα-helixtrans-49.8-24.1-167.8-61.6-26.5000115W173 I174D171-W173 VanDerWaalsContact C-N 3.3Å; D171-W173 PolarHBondContact O-N 3.24Å; D171-I174 PolarHBondContact O-N 3.18Å
172E62.8Low64.4Low154 Ų154122.6 Ų122.672%0.7263%0.633SS**Hα-helixtrans-62.4-29.1172.9-59.1-169.2171.500114.5G170G170-E172 PolarHBondContact O-N 3.02Å
173W53.4Low63.3Low169 Ų169128.6 Ų128.664%0.6465%0.652SS**Hα-helixtrans-74.8-32.2-179.4-93.268.3000113Y169 G170 D171 K175 K176 T177Y169-W173 HydrophobicContact CD1-CD2 4.42Å; Y169-W173 HydrophobicContact CD1-CE3 4.11Å; G170-W173 WeakPolarHBondContact O-CB 3.45Å; G170-W173 PolarHBondContact O-N 2.92Å; D171-W173 VanDerWaalsContact C-N 3.3Å; D171-W173 PolarHBondContact O-N 3.24Å; W173-K175 VanDerWaalsContact C-N 3.33Å; W173-K175 PolarHBondContact O-N 3.06Å; W173-K176 PolarHBondContact O-N 3.17Å; W173-T177 PolarHBondContact O-OG1 3.27Å
174I58.3Low62.1Low86 Ų86124.7 Ų124.744%0.44163%0.628SS.*Hα-helixtrans-71-31-178.1-60.9171.3000111N167 D171 T177N167-I174 WeakPolarHBondContact ND2-CD1 3.31Å; D171-I174 PolarHBondContact O-N 3.18Å; I174-T177 PolarHBondContact O-OG1 3.46Å
175K60Low61.5Low182 Ų182127.2 Ų127.279%0.79163%0.631SS**Hα-helixtrans-75.1-24.3179.5-65.7-176.2-176.8177.50113.5W173W173-K175 VanDerWaalsContact C-N 3.33Å; W173-K175 PolarHBondContact O-N 3.06Å
176K57.9Low60.7Low168 Ų168131 Ų13173%0.7365%0.646SS**Hα-helixtrans-86.3-12.3-177.4-71.5179.8-179.2172.40114.3W173W173-K176 PolarHBondContact O-N 3.17Å
177T57.5Low60.1Low86 Ų86131.3 Ų131.353%0.52865%0.65SS.*SBendtrans-95.8-5.2-172.937.80000115.1W173 I174 L179W173-T177 PolarHBondContact O-OG1 3.27Å; I174-T177 PolarHBondContact O-OG1 3.46Å; T177-L179 PolarHBondContact O-N 2.98Å; T177-L179 VanDerWaalsContact O-N 3.07Å
178Q56.4Low59.8Low165 Ų165130.2 Ų130.277%0.77165%0.649SS**  trans-83.736.6-178.2-62.3-168.14.700114.8
179L56.8Low59.5Low138 Ų138135.3 Ų135.372%0.72366%0.661SS**SBendtrans-84.5129.1167.1-72.3172.9000109.6T177 T181T177-L179 PolarHBondContact O-N 2.98Å; T177-L179 VanDerWaalsContact O-N 3.07Å; L179-T181 PolarHBondContact O-N 2.91Å; L179-T181 PolarHBondContact O-OG1 3.27Å; L179-T181 VanDerWaalsContact O-OG1 3.11Å
180P59.5Low59.2Low103 Ų103138.1 Ų138.167%0.66967%0.673SS**  trans-63.1101.5-176.524.6-32.4000109.9Y182P180-Y182 HydrophobicContact CB-CD2 4.31Å; P180-Y182 HydrophobicContact CB-CE2 3.99Å; P180-Y182 PolarHBondContact O-N 3.19Å
181T53Low59.3Low105 Ų105141.6 Ų141.664%0.64469%0.69SS**  trans-89.486.7-178.8-50.40000108.4L179 H183L179-T181 PolarHBondContact O-N 2.91Å; L179-T181 PolarHBondContact O-OG1 3.27Å; L179-T181 VanDerWaalsContact O-OG1 3.11Å; T181-H183 PolarHBondContact O-N 3.41Å
182Y54.7Low59.4Low216 Ų216144.6 Ų144.685%0.84769%0.692SS**  trans-72.694.6168.6-71.9-86000108.9P180P180-Y182 HydrophobicContact CB-CD2 4.31Å; P180-Y182 HydrophobicContact CB-CE2 3.99Å; P180-Y182 PolarHBondContact O-N 3.19Å
183H51.7Low59.1Low175 Ų175140.7 Ų140.781%0.8168%0.681SS**SBendtrans61.987.6161.6-129.8-81.6000117.5T181T181-H183 PolarHBondContact O-N 3.41Å
184S53.7Low59.5Low55 Ų55138.5 Ų138.539%0.38569%0.686SS.*  trans-152.764157.679.10000112.5F186 K187S184-F186 PolarHBondContact O-N 2.88Å; S184-K187 PolarHBondContact O-N 2.84Å
185V63.6Low59.6Low117 Ų117138.2 Ų138.271%0.70969%0.692SS**THydrogen-bonded Turntrans-60.9-12.4-178.9-158.90000113
186F62.6Low59.5Low198 Ų198134.9 Ų134.987%0.86869%0.691SS**THydrogen-bonded Turntrans-12810.3-178.6-65.5-76.6000115.8S184S184-F186 PolarHBondContact O-N 2.88Å
187K61.9Low59.4Low167 Ų167135 Ų13573%0.72670%0.695SS**  trans-101.3124.2177.4-60.9-163.7177.8-173.80111.1S184S184-K187 PolarHBondContact O-N 2.84Å
188S65.4Low59.4Low50 Ų50138.9 Ų138.935%0.3570%0.704SS.*  trans-59.2137.2166.356.60000109.4Y190 R192S188-Y190 PolarHBondContact O-N 2.94Å; S188-Y190 VanDerWaalsContact O-N 3.14Å; S188-Y190 PolarHBondContact OG-O 3.05Å; S188-R192 PolarHBondContact OG-NE 3.21Å; S188-R192 PolarHBondContact OG-NH2 3.26Å
189K62.7Low59.7Low194 Ų194137.8 Ų137.884%0.84370%0.699SS**SBendtrans-63.6-15177.5-63.9-171.3177.8-174.40114.2
190Y64.9Low60.2Low201 Ų201138.7 Ų138.779%0.78871%0.705SS**SBendtrans-89.6128.9179-66.4-80.4000110.8S188 R192S188-Y190 PolarHBondContact O-N 2.94Å; S188-Y190 VanDerWaalsContact O-N 3.14Å; S188-Y190 PolarHBondContact OG-O 3.05Å; Y190-R192 PolarHBondContact O-N 2.82Å
191S64.7Low60.9Low118 Ų118141.2 Ų141.283%0.82571%0.713SS**  trans-60.3106.9166.6-177.60000108.1S193S191-S193 PolarHBondContact O-N 3.19Å
192R65.2Low61.9Low189 Ų189140 Ų14071%0.71371%0.705SS**  trans-76.480.9169.3-69.4-173-107.2-126.95.1107.2S188 Y190 V194S188-R192 PolarHBondContact OG-NE 3.21Å; S188-R192 PolarHBondContact OG-NH2 3.26Å; Y190-R192 PolarHBondContact O-N 2.82Å; R192-V194 PolarHBondContact O-N 3.2Å
193S58Low63.2Low72 Ų72132.1 Ų132.150%0.50368%0.68SS.*  trans-59.8105.5164.5165.60000107.9S191 S195S191-S193 PolarHBondContact O-N 3.19Å; S193-S195 PolarHBondContact O-N 3.32Å; S193-S195 WeakPolarHBondContact OG-CB 3.3Å; S193-S195 PolarHBondContact OG-N 3.43Å
194V61.5Low64.5Low123 Ų123127.9 Ų127.975%0.74567%0.668SS**G310 helixtrans-74-2.6164.4-96.60000111.7R192 S196R192-V194 PolarHBondContact O-N 3.2Å; V194-S196 VanDerWaalsContact C-N 3.31Å; V194-S196 PolarHBondContact O-N 3.07Å
195S59.1Low65.8Low81 Ų81131.1 Ų131.157%0.56669%0.688SS**G310 helixtrans-72.5-20.4-170.9-163.60000114S193 Q197S193-S195 PolarHBondContact O-N 3.32Å; S193-S195 WeakPolarHBondContact OG-CB 3.3Å; S193-S195 PolarHBondContact OG-N 3.43Å; S195-Q197 PolarHBondContact O-N 3.21Å
196S57.8Low66.5Low111 Ų111129.3 Ų129.378%0.77669%0.693SS**G310 helixtrans-79.4-1.8-175.6-52.40000114.3V194V194-S196 VanDerWaalsContact C-N 3.31Å; V194-S196 PolarHBondContact O-N 3.07Å
197Q57Low67.5Low170 Ų170122.6 Ų122.679%0.79467%0.674SS**G310 helixtrans-108.26.1179.6-66.5-169.7-54.600114.1S195 Q199S195-Q197 PolarHBondContact O-N 3.21Å; Q197-Q199 PolarHBondContact O-N 3.3Å
198K57.7Low68.4Low168 Ų168120.4 Ų120.473%0.7366%0.662SS**  trans-71.383.3167.4-72-171.3178.8-175.20108.6
199Q62.5Low69.1Low143 Ų143125.3 Ų125.367%0.66868%0.684SS**  trans-78.2117.2159.3-71.4-161.9-14.200106.9Q197 N201 V202Q197-Q199 PolarHBondContact O-N 3.3Å; Q199-N201 PolarHBondContact O-N 3.35Å; Q199-V202 HydrophobicContact CB-CB 4.46Å; Q199-V202 HydrophobicContact CB-CG2 3.64Å; Q199-V202 PolarHBondContact O-N 3Å
200D66Low69.7Low156 Ų156122.2 Ų122.283%0.83468%0.676SS**THydrogen-bonded Turntrans-60.4-14.3-171.1-65.5-35.2000114.3
201N74.5Confident69.9Low157 Ų157116.9 Ų116.984%0.8467%0.668SS**THydrogen-bonded Turntrans-113.99.6-174.3-63.7-30.3000114.6Q199Q199-N201 PolarHBondContact O-N 3.35Å
202V75.4Confident70Confident78 Ų78120.2 Ų120.247%0.47367%0.668SS.*PPolyproline II helixtrans-94.9118179-178.80000109.5Q199 Y208Q199-V202 HydrophobicContact CB-CB 4.46Å; Q199-V202 HydrophobicContact CB-CG2 3.64Å; Q199-V202 PolarHBondContact O-N 3Å; V202-Y208 HydrophobicContact CG1-CE1 4.42Å
203P81.8Confident69.9Low51 Ų51119.3 Ų119.333%0.33167%0.67SS.*PPolyproline II helixtrans-57.9142.5176.3-6.512000110.2A207 Y208P203-A207 HydrophobicContact CB-CB 3.88Å; P203-Y208 HydrophobicContact CB-CD1 4.14Å; P203-Y208 HydrophobicContact CB-CE1 4.28Å; P203-Y208 HydrophobicContact CG-CD1 3.83Å; P203-Y208 HydrophobicContact CG-CE1 4.08Å; P203-Y208 WeakPolarHBondContact O-CE1 3.43Å; P203-Y208 PolarHBondContact O-OH 2.84Å
204P78.4Confident70Confident87 Ų87119.6 Ų119.657%0.56568%0.683SS**PPolyproline II helixtrans-59156.4175.424.2-33.5000110.8G206 A207P204-G206 PolarHBondContact O-N 3.47Å; P204-A207 HydrophobicContact CG-CB 3.71Å; P204-A207 PolarHBondContact O-N 3Å
205P80.7Confident69.9Low123 Ų123119.3 Ų119.380%0.79968%0.682SS**THydrogen-bonded Turntrans-47.4119.4171.1-24.332.5000110.7
206G78.7Confident70Confident78 Ų78125 Ų12580%0.80470%0.697SS**THydrogen-bonded Turntrans100.7-14.8-177.500000116.1P204P204-G206 PolarHBondContact O-N 3.47Å
207A83.4Confident70.1Confident57 Ų57122.5 Ų122.547%0.47169%0.689SS.*  trans-96.57.8175.600000113.6P203 P204 N209P203-A207 HydrophobicContact CB-CB 3.88Å; P204-A207 HydrophobicContact CG-CB 3.71Å; P204-A207 PolarHBondContact O-N 3Å; A207-N209 PolarHBondContact O-N 3.39Å
208Y81.3Confident70.3Confident121 Ų121122.8 Ų122.848%0.47569%0.694SS.*  trans-68.2121.3174.1-55.8-72.5000109.6V202 P203 L210V202-Y208 HydrophobicContact CG1-CE1 4.42Å; P203-Y208 HydrophobicContact CB-CD1 4.14Å; P203-Y208 HydrophobicContact CB-CE1 4.28Å; P203-Y208 HydrophobicContact CG-CD1 3.83Å; P203-Y208 HydrophobicContact CG-CE1 4.08Å; P203-Y208 WeakPolarHBondContact O-CE1 3.43Å; P203-Y208 PolarHBondContact O-OH 2.84Å; Y208-L210 PolarHBondContact O-N 3.44Å
209N79.4Confident70.4Confident154 Ų154122.2 Ų122.282%0.82470%0.696SS**  trans-77.593.7169.8-157.8-7.4000108.3A207 S211A207-N209 PolarHBondContact O-N 3.39Å; N209-S211 PolarHBondContact O-N 2.79Å
210L76Confident70.8Confident129 Ų129118 Ų11868%0.67568%0.682SS**  trans-73.376.9178.2-62.7174.3000109.2Y208 F212Y208-L210 PolarHBondContact O-N 3.44Å; L210-F212 HydrophobicContact CB-CE2 4.11Å; L210-F212 WeakPolarHBondContact O-CD2 3.25Å; L210-F212 PolarHBondContact O-N 2.87Å
211S69.7Low70.9Confident89 Ų89116.5 Ų116.562%0.62268%0.681SS**  trans-72.3100.2166.2700000107.8N209 K213N209-S211 PolarHBondContact O-N 2.79Å; S211-K213 PolarHBondContact O-N 3.07Å
212F65.4Low70.6Confident188 Ų188117.7 Ų117.783%0.82568%0.679SS**  trans-67.681.8167.7-67.6-87.3000108.2L210 G214L210-F212 HydrophobicContact CB-CE2 4.11Å; L210-F212 WeakPolarHBondContact O-CD2 3.25Å; L210-F212 PolarHBondContact O-N 2.87Å; F212-G214 PolarHBondContact O-N 2.69Å
213K63.3Low70.2Confident170 Ų170118.3 Ų118.374%0.73968%0.683SS**  trans-60.7123156.7-70.3-172.9178.6-176.90104.6S211 T215S211-K213 PolarHBondContact O-N 3.07Å; K213-T215 PolarHBondContact O-N 3.18Å; K213-T215 PolarHBondContact O-OG1 3.04Å
214G61.2Low69.9Low77 Ų77119.8 Ų119.879%0.79469%0.694SS**  trans-61.462.9-174.600000113.7F212 F216F212-G214 PolarHBondContact O-N 2.69Å; G214-F216 PolarHBondContact O-N 3.37Å
215T58.6Low69.6Low118 Ų118125 Ų12572%0.72471%0.711SS**  trans-68115.6165.652.30000105.2K213 G217K213-T215 PolarHBondContact O-N 3.18Å; K213-T215 PolarHBondContact O-OG1 3.04Å; T215-G217 PolarHBondContact O-N 2.91Å
216F60.6Low69.4Low199 Ų199124.2 Ų124.287%0.87370%0.704SS**  trans-32.6111167.8-65.5-85.7000108.7G214 I218G214-F216 PolarHBondContact O-N 3.37Å; F216-I218 PolarHBondContact O-N 2.86Å; F216-I218 VanDerWaalsContact O-N 3.12Å
217G61.5Low69.2Low59 Ų59125.5 Ų125.561%0.60870%0.698SS**  trans-51.9126.5-179.800000107.2T215 M219T215-G217 PolarHBondContact O-N 2.91Å; G217-M219 PolarHBondContact O-N 3.4Å
218I60.6Low68.8Low176 Ų176133 Ų13390%0.90371%0.714SS**  trans-58.195.4177.3-61.7172000106.4F216 S220F216-I218 PolarHBondContact O-N 2.86Å; F216-I218 VanDerWaalsContact O-N 3.12Å; I218-S220 PolarHBondContact O-N 2.98Å
219M60.3Low68.6Low157 Ų157134.4 Ų134.477%0.77372%0.723SS**  trans-77.1114.8174.6-78.4174.758.700105.9G217G217-M219 PolarHBondContact O-N 3.4Å
220S69.1Low68.3Low54 Ų54136.8 Ų136.838%0.37873%0.726SS.*  trans-62.1142.7170.91090000108.5I218 F222 V223I218-S220 PolarHBondContact O-N 2.98Å; S220-F222 PolarHBondContact O-N 3.12Å; S220-F222 WeakPolarHBondContact OG-CA 3.41Å; S220-F222 WeakPolarHBondContact OG-CB 3.3Å; S220-F222 PolarHBondContact OG-N 3.04Å; S220-V223 VanDerWaalsContact O-CG2 3.32Å; S220-V223 WeakPolarHBondContact O-CG2 3.31Å; S220-V223 PolarHBondContact O-N 2.69Å; S220-V223 PolarHBondContact OG-N 3.09Å
221P68.2Low68.1Low124 Ų124142.3 Ų142.381%0.80574%0.738SS**THydrogen-bonded Turntrans-64.9-6.5172.627.5-33.3000112.2
222F69.7Low68Low182 Ų182143 Ų14380%0.79874%0.743SS**THydrogen-bonded Turntrans-10116.8179-54.1-77.1000113.3S220 S224S220-F222 PolarHBondContact O-N 3.12Å; S220-F222 WeakPolarHBondContact OG-CA 3.41Å; S220-F222 WeakPolarHBondContact OG-CB 3.3Å; S220-F222 PolarHBondContact OG-N 3.04Å; F222-S224 PolarHBondContact O-N 3.06Å
223V67.2Low68.1Low91 Ų91143.8 Ų143.855%0.55275%0.746SS**  trans-66.899.2170.7176.70000108.2S220 Q225S220-V223 VanDerWaalsContact O-CG2 3.32Å; S220-V223 WeakPolarHBondContact O-CG2 3.31Å; S220-V223 PolarHBondContact O-N 2.69Å; S220-V223 PolarHBondContact OG-N 3.09Å; V223-Q225 PolarHBondContact O-N 3.28Å
224S74.1Confident68.5Low82 Ų82139.8 Ų139.857%0.57374%0.739SS**  trans-62.7121.7174.162.70000109.1F222 V226F222-S224 PolarHBondContact O-N 3.06Å; S224-V226 PolarHBondContact O-N 3.18Å; S224-V226 PolarHBondContact OG-O 3.3Å
225Q73Confident69Low196 Ų196145.8 Ų145.892%0.91674%0.744SS**SBendtrans-68.2-8171.2-66.2-157.9-14.700113V223V223-Q225 PolarHBondContact O-N 3.28Å
226V75.8Confident70Confident108 Ų108145 Ų14566%0.65574%0.739SS**SBendtrans-84.5123.7178.1-171.20000109.3S224 R228S224-V226 PolarHBondContact O-N 3.18Å; S224-V226 PolarHBondContact OG-O 3.3Å; V226-R228 PolarHBondContact O-N 3.24Å
227P75.8Confident70.9Confident104 Ų104138.1 Ų138.168%0.67571%0.714SS**  trans-56.4115.5173-21.631.5000109.9F229P227-F229 PolarHBondContact O-N 3.13Å; P227-F229 VanDerWaalsContact O-N 3.07Å
228R74.3Confident71.6Confident214 Ų214136.9 Ų136.981%0.80870%0.701SS**SBendtrans-54.9-30.6-178.9-167.8179.2-160.1-1353.9112.5V226V226-R228 PolarHBondContact O-N 3.24Å
229F77.2Confident72.5Confident151 Ų151135.1 Ų135.166%0.66270%0.701SS**SBendtrans-129.4128.9178.9-58-62.9000109.9P227 R231P227-F229 PolarHBondContact O-N 3.13Å; P227-F229 VanDerWaalsContact O-N 3.07Å; F229-R231 PolarHBondContact O-N 3.29Å
230K73Confident73.2Confident205 Ų205131.4 Ų131.489%0.89170%0.703SS**  trans-64120.9163.6-65.4-175.7179.3-177.90106.5S232K230-S232 PolarHBondContact O-N 3.13Å
231R71.9Confident73.5Confident244 Ų244133.2 Ų133.292%0.92171%0.712SS**  trans-61.9105.8168.4-71.4-170.6-178.1170.51.9107.1F229 K233F229-R231 PolarHBondContact O-N 3.29Å; R231-K233 PolarHBondContact O-N 3.08Å; R231-K233 VanDerWaalsContact O-N 3.17Å
232S67.4Low73.9Confident104 Ų104134.5 Ų134.573%0.72770%0.702SS**  trans-63.8113.2167.745.90000107.5K230 S234K230-S232 PolarHBondContact O-N 3.13Å; S232-S234 PolarHBondContact O-N 3.15Å
233K67.4Low74.1Confident205 Ų205132.8 Ų132.889%0.89170%0.701SS**  trans-68.984.2164.8-71.3-178.4179.8-178.50107.2R231R231-K233 PolarHBondContact O-N 3.08Å; R231-K233 VanDerWaalsContact O-N 3.17Å
234S72.7Confident74.3Confident85 Ų85136.1 Ų136.159%0.59471%0.714SS**  trans-77.8122.2169.159.50000108.3S232 V236S232-S234 PolarHBondContact O-N 3.15Å; S234-V236 PolarHBondContact O-N 3.42Å
235F70.7Confident74.1Confident204 Ų204137.7 Ų137.790%0.89573%0.725SS**SBendtrans-72.7-8.3167.7-94.9-87000112.6P237F235-P237 WeakPolarHBondContact O-CD 3.36Å
236V79.1Confident73.5Confident101 Ų101131.6 Ų131.661%0.61272%0.715SS**SBendtrans-83.2117.3176.9-174.30000108.3S234S234-V236 PolarHBondContact O-N 3.42Å
237P79.7Confident72.5Confident55 Ų55131.1 Ų131.136%0.35772%0.722SS.*PPolyproline II helixtrans-55.2141.317215.6-24.8000110.4F235 T241 Y242F235-P237 WeakPolarHBondContact O-CD 3.36Å; P237-T241 HydrophobicContact CB-CG2 4.21Å; P237-Y242 HydrophobicContact CG-CD1 4.14Å; P237-Y242 HydrophobicContact CG-CE1 3.59Å; P237-Y242 HydrophobicContact CG-CE2 4.33Å
238G77.1Confident71Confident33 Ų33136.1 Ų136.134%0.3475%0.751SS.*PPolyproline II helixtrans-64158.8175.200000110.9G240 T241G238-G240 PolarHBondContact O-N 3.16Å; G238-T241 PolarHBondContact N-OG1 2.82Å; G238-T241 PolarHBondContact O-N 3.05Å; G238-T241 PolarHBondContact O-OG1 2.93Å
239P79.3Confident70.8Confident138 Ų138132.3 Ų132.390%0.89675%0.749SS**THydrogen-bonded Turntrans-54.7120.4169.524.2-32.1000109
240G74Confident70.5Confident79 Ų79131.3 Ų131.381%0.81475%0.753SS**THydrogen-bonded Turntrans101.5-0.8-174.900000116.3G238G238-G240 PolarHBondContact O-N 3.16Å
241T77.1Confident70.3Confident93 Ų93127.2 Ų127.257%0.57175%0.745SS**  trans-100.98.7176-36.30000113.1P237 G238P237-T241 HydrophobicContact CB-CG2 4.21Å; G238-T241 PolarHBondContact N-OG1 2.82Å; G238-T241 PolarHBondContact O-N 3.05Å; G238-T241 PolarHBondContact O-OG1 2.93Å
242Y74.8Confident70.2Confident150 Ų150120.3 Ų120.359%0.58874%0.735SS**  trans-86.4115.5173.4-61.2-86.8000108.9P237 I244P237-Y242 HydrophobicContact CG-CD1 4.14Å; P237-Y242 HydrophobicContact CG-CE1 3.59Å; P237-Y242 HydrophobicContact CG-CE2 4.33Å; Y242-I244 PolarHBondContact O-N 3.28Å
243D75.6Confident70.4Confident146 Ų146121.3 Ų121.378%0.78174%0.736SS**  trans-69.4129.5169.1-67.1-32000109.3S245D243-S245 PolarHBondContact O-N 2.71Å
244I71.1Confident70.6Confident162 Ų162115.7 Ų115.783%0.83173%0.725SS**SBendtrans-79.24.9-176.8-52.7167.2000110.9Y242 G246Y242-I244 PolarHBondContact O-N 3.28Å; I244-G246 PolarHBondContact O-N 3.23Å
245S68.7Low70.5Confident114 Ų114117.9 Ų117.980%0.79774%0.735SS**THydrogen-bonded Turntrans-80.524.8-169.362.20000115.5D243D243-S245 PolarHBondContact O-N 2.71Å
246G60.6Low70.4Confident69 Ų69111.3 Ų111.371%0.71172%0.722SS**THydrogen-bonded Turntrans-1276.7-175.600000116.1I244I244-G246 PolarHBondContact O-N 3.23Å
247A54.6Low69.7Low97 Ų97112.2 Ų112.280%0.80273%0.731SS**  trans-105.481177.200000110.5
248T44Very low68.8Low210 Ų210117.4 Ų117.4100%1.28877%0.765SS**  trans-127.30161.935.30000108.6

Retrieved 248 of 248 residues in 281.4 ms (Link to these results)