A0A077YZE1_TRITR Loading...

Pedal peptide protein

AlphaFold DB , UniProt , Accession A0A077YZE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M54.5Low60.9Low217 Ų217134.8 Ų134.8100%1.06966%0.66SS**  056.80-59.7-57.7170.100112.9
2P60.9Low60.9Low113 Ų113134.7 Ų134.773%0.73466%0.657SS**  trans-85.1-19.3-177.232.1-34.3000115.3L4 S5P2-L4 PolarHBondContact O-N 2.82Å; P2-S5 PolarHBondContact O-N 2.91Å
3F61.3Low60.7Low154 Ų154129.2 Ų129.268%0.67565%0.647SS**Hα-helixtrans-66.6-36.4-170.8-163.6-98000114.1
4L60.5Low60.9Low135 Ų135124.6 Ų124.671%0.70763%0.633SS**Hα-helixtrans-71.1-30.1-179.4-70.4167.4000112.9P2 T8P2-L4 PolarHBondContact O-N 2.82Å; L4-T8 PolarHBondContact O-N 2.95Å; L4-T8 PolarHBondContact O-OG1 2.69Å
5S64.3Low61.5Low67 Ų67120.5 Ų120.547%0.46962%0.62SS.*Hα-helixtrans-68.1-37.6178.9-170.10000111.7P2 T8 Q9P2-S5 PolarHBondContact O-N 2.91Å; S5-T8 PolarHBondContact O-N 2.95Å; S5-Q9 PolarHBondContact O-N 2.99Å
6F58.6Low61.9Low154 Ų154116.9 Ų116.968%0.67561%0.614SS**Hα-helixtrans-66.3-40.8-179.8-148.5-93.9000112T8 Q9 Y10F6-T8 PolarHBondContact O-N 2.92Å; F6-Q9 PolarHBondContact O-N 2.81Å; F6-Y10 PolarHBondContact O-N 3.33Å
7H61.2Low62.5Low111 Ų111113.2 Ų113.251%0.51460%0.604SS.*Hα-helixtrans-64-39.2176.9-100.264.5000112.7K11H7-K11 PolarHBondContact O-N 2.83Å
8T61.9Low63.1Low76 Ų76110.8 Ų110.847%0.46660%0.596SS.*Hα-helixtrans-70.2-44.7178.3-50.90000111L4 S5 F6 Y10 K11 H12L4-T8 PolarHBondContact O-N 2.95Å; L4-T8 PolarHBondContact O-OG1 2.69Å; S5-T8 PolarHBondContact O-N 2.95Å; F6-T8 PolarHBondContact O-N 2.92Å; T8-Y10 VanDerWaalsContact C-N 3.33Å; T8-Y10 PolarHBondContact O-N 2.86Å; T8-K11 PolarHBondContact O-N 2.74Å; T8-H12 PolarHBondContact O-CD2 2.96Å; T8-H12 PolarHBondContact O-N 2.65Å; T8-H12 VanDerWaalsContact O-N 3.17Å
9Q60.6Low63.8Low132 Ų132109.5 Ų109.562%0.61759%0.589SS**Hα-helixtrans-59.7-41.7177.3-76.3-165.148.400112.6S5 F6 K11 H12 A13S5-Q9 PolarHBondContact O-N 2.99Å; F6-Q9 PolarHBondContact O-N 2.81Å; Q9-K11 PolarHBondContact O-N 3.33Å; Q9-H12 PolarHBondContact O-N 2.83Å; Q9-A13 PolarHBondContact O-N 3.09Å
10Y62.5Low64.8Low169 Ų169107 Ų10766%0.66358%0.581SS**Hα-helixtrans-63.2-40.4179.6-161.7-91.9000112.5F6 T8 A13 S14F6-Y10 PolarHBondContact O-N 3.33Å; T8-Y10 VanDerWaalsContact C-N 3.33Å; T8-Y10 PolarHBondContact O-N 2.86Å; Y10-A13 PolarHBondContact O-N 2.85Å; Y10-S14 WeakPolarHBondContact O-CB 3.43Å; Y10-S14 PolarHBondContact O-N 2.67Å
11K63.5Low65.6Low155 Ų155106.7 Ų106.767%0.67458%0.578SS**Hα-helixtrans-64.5-40.4176.6-73.1-175.6179.6-174.40112.3H7 T8 Q9 S15H7-K11 PolarHBondContact O-N 2.83Å; T8-K11 PolarHBondContact O-N 2.74Å; Q9-K11 PolarHBondContact O-N 3.33Å; K11-S15 PolarHBondContact O-N 2.98Å
12H60.7Low66.9Low133 Ų133102 Ų10262%0.61656%0.556SS**Hα-helixtrans-68.9-41.4177.3-71.9-67.7000112.4T8 Q9 S15 A16T8-H12 PolarHBondContact O-CD2 2.96Å; T8-H12 PolarHBondContact O-N 2.65Å; T8-H12 VanDerWaalsContact O-N 3.17Å; Q9-H12 PolarHBondContact O-N 2.83Å; H12-S15 PolarHBondContact O-N 2.96Å; H12-A16 PolarHBondContact O-N 2.82Å
13A58.4Low67.7Low64 Ų64102 Ų10253%0.52955%0.55SS..Hα-helixtrans-64.8-43.1178.100000112.3Q9 Y10 S15 A16 A17Q9-A13 PolarHBondContact O-N 3.09Å; Y10-A13 PolarHBondContact O-N 2.85Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.72Å; A13-A16 PolarHBondContact O-N 3.13Å; A13-A17 PolarHBondContact O-N 3.34Å
14S64.6Low68.5Low65 Ų6599.9 Ų99.946%0.45554%0.542SS..Hα-helixtrans-63-38.3177.6-177.70000112.4Y10 C18Y10-S14 WeakPolarHBondContact O-CB 3.43Å; Y10-S14 PolarHBondContact O-N 2.67Å; S14-C18 PolarHBondContact O-N 2.89Å; S14-C18 VanDerWaalsContact O-N 3.14Å; S14-C18 PolarHBondContact O-SG 3.14Å
15S68.7Low69.3Low63 Ų6397 Ų9744%0.44153%0.529SS..Hα-helixtrans-66.5-41.8178178.50000112.1K11 H12 A13 A17 C18 N19K11-S15 PolarHBondContact O-N 2.98Å; H12-S15 PolarHBondContact O-N 2.96Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.72Å; S15-A17 PolarHBondContact O-N 2.81Å; S15-C18 PolarHBondContact O-N 3.11Å; S15-N19 PolarHBondContact O-N 3.32Å; S15-N19 PolarHBondContact O-ND2 2.72Å
16A68.3Low69.8Low63 Ų6399.5 Ų99.552%0.52153%0.534SS..Hα-helixtrans-62.4-41.617800000112.3H12 A13 N19 S20H12-A16 PolarHBondContact O-N 2.82Å; A13-A16 PolarHBondContact O-N 3.13Å; A16-N19 PolarHBondContact O-N 3.16Å; A16-S20 PolarHBondContact O-N 3.09Å
17A72.4Confident70.5Confident54 Ų5498.5 Ų98.545%0.44653%0.531SS..Hα-helixtrans-63-44.8175.500000111.9A13 S15 N19 S20 I21A13-A17 PolarHBondContact O-N 3.34Å; S15-A17 PolarHBondContact O-N 2.81Å; A17-N19 VanDerWaalsContact C-N 3.34Å; A17-N19 PolarHBondContact O-N 3.35Å; A17-S20 PolarHBondContact O-N 2.97Å; A17-I21 WeakPolarHBondContact O-CG1 3.44Å; A17-I21 PolarHBondContact O-N 3.1Å; A17-I21 VanDerWaalsContact O-N 3.16Å
18C72.7Confident70.7Confident69 Ų6998.6 Ų98.647%0.46653%0.534SS..Hα-helixtrans-59.8-42.9176.2-71.60000112.2S14 S15 S20 I21 L22S14-C18 PolarHBondContact O-N 2.89Å; S14-C18 VanDerWaalsContact O-N 3.14Å; S14-C18 PolarHBondContact O-SG 3.14Å; S15-C18 PolarHBondContact O-N 3.11Å; C18-S20 VanDerWaalsContact C-N 3.34Å; C18-S20 PolarHBondContact O-N 3.23Å; C18-I21 PolarHBondContact O-N 3.26Å; C18-L22 WeakPolarHBondContact O-CG 3.21Å; C18-L22 PolarHBondContact O-N 2.81Å; C18-L22 VanDerWaalsContact O-N 3.14Å
19N77.1Confident71.1Confident86 Ų86101.8 Ų101.846%0.4654%0.542SS..Hα-helixtrans-66.1-36.7178.4-69.4-28.5000112.2S15 A16 A17 L22 L23S15-N19 PolarHBondContact O-N 3.32Å; S15-N19 PolarHBondContact O-ND2 2.72Å; A16-N19 PolarHBondContact O-N 3.16Å; A17-N19 VanDerWaalsContact C-N 3.34Å; A17-N19 PolarHBondContact O-N 3.35Å; N19-L22 PolarHBondContact O-N 3.06Å; N19-L23 WeakPolarHBondContact O-CD1 3.06Å; N19-L23 WeakPolarHBondContact O-CG 3.31Å; N19-L23 PolarHBondContact O-N 2.63Å
20S83.8Confident71.2Confident60 Ų6099.4 Ų99.442%0.4254%0.536SS..Hα-helixtrans-62.7-42.7176.1-178.10000112.3A16 A17 C18 L23 Q24A16-S20 PolarHBondContact O-N 3.09Å; A17-S20 PolarHBondContact O-N 2.97Å; C18-S20 VanDerWaalsContact C-N 3.34Å; C18-S20 PolarHBondContact O-N 3.23Å; S20-L23 PolarHBondContact O-N 2.83Å; S20-Q24 WeakPolarHBondContact O-CG 3.41Å; S20-Q24 PolarHBondContact O-N 3.3Å
21I81.4Confident71.2Confident100 Ų10097.5 Ų97.551%0.51354%0.542SS..Hα-helixtrans-65.1-43.8177.6-65.1167.6000110.8A17 C18 L23 Q24 V25A17-I21 WeakPolarHBondContact O-CG1 3.44Å; A17-I21 PolarHBondContact O-N 3.1Å; A17-I21 VanDerWaalsContact O-N 3.16Å; C18-I21 PolarHBondContact O-N 3.26Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.06Å; I21-Q24 PolarHBondContact O-N 2.65Å; I21-V25 WeakPolarHBondContact O-CG2 3.27Å; I21-V25 PolarHBondContact O-N 3.19Å
22L81.2Confident71.1Confident118 Ų11892.2 Ų92.262%0.61852%0.524SS*.Hα-helixtrans-61.7-40177.8-72.7174.8000112.1C18 N19 V25 H26C18-L22 WeakPolarHBondContact O-CG 3.21Å; C18-L22 PolarHBondContact O-N 2.81Å; C18-L22 VanDerWaalsContact O-N 3.14Å; N19-L22 PolarHBondContact O-N 3.06Å; L22-V25 PolarHBondContact O-N 2.81Å; L22-H26 WeakPolarHBondContact O-CB 3.06Å; L22-H26 PolarHBondContact O-N 2.77Å
23L78.7Confident71.3Confident115 Ų11592.4 Ų92.460%0.60253%0.53SS*.Hα-helixtrans-63.8-40.9174.6-78.9158.9000112N19 S20 I21 H26 Q27N19-L23 WeakPolarHBondContact O-CD1 3.06Å; N19-L23 WeakPolarHBondContact O-CG 3.31Å; N19-L23 PolarHBondContact O-N 2.63Å; S20-L23 PolarHBondContact O-N 2.83Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.06Å; L23-H26 PolarHBondContact O-N 3.4Å; L23-Q27 WeakPolarHBondContact O-CG 3.26Å; L23-Q27 PolarHBondContact O-N 3.22Å
24Q77.6Confident71.6Confident108 Ų10899.8 Ų99.851%0.50554%0.544SS..Hα-helixtrans-63.1-44.3175.7-74.6177.6-400112S20 I21 H26 Q27 I28S20-Q24 WeakPolarHBondContact O-CG 3.41Å; S20-Q24 PolarHBondContact O-N 3.3Å; I21-Q24 PolarHBondContact O-N 2.65Å; Q24-H26 VanDerWaalsContact C-N 3.31Å; Q24-H26 PolarHBondContact O-N 3.33Å; Q24-Q27 PolarHBondContact O-N 3.11Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.08Å
25V76.7Confident71.5Confident74 Ų74104.9 Ų104.945%0.44855%0.554SS.*Hα-helixtrans-63.7-39.3177.11740000111.2I21 L22 I28 K29I21-V25 WeakPolarHBondContact O-CG2 3.27Å; I21-V25 PolarHBondContact O-N 3.19Å; L22-V25 PolarHBondContact O-N 2.81Å; V25-I28 PolarHBondContact O-N 3.41Å; V25-K29 PolarHBondContact O-N 2.85Å; V25-K29 VanDerWaalsContact O-N 3.1Å
26H76.1Confident71.1Confident121 Ų121109.8 Ų109.856%0.5657%0.567SS**Hα-helixtrans-64.2-43.3174.8-173.4-83.4000111.7L22 L23 Q24 I28 K29 T30L22-H26 WeakPolarHBondContact O-CB 3.06Å; L22-H26 PolarHBondContact O-N 2.77Å; L23-H26 PolarHBondContact O-N 3.4Å; Q24-H26 VanDerWaalsContact C-N 3.31Å; Q24-H26 PolarHBondContact O-N 3.33Å; H26-I28 PolarHBondContact O-N 3.24Å; H26-K29 PolarHBondContact O-N 3.41Å; H26-T30 PolarHBondContact O-N 2.92Å; H26-T30 VanDerWaalsContact O-N 3.17Å; H26-T30 PolarHBondContact O-OG1 3.17Å
27Q72.4Confident70.8Confident132 Ų132111.4 Ų111.462%0.61757%0.567SS**Hα-helixtrans-57.8-47.7174.7-77.9-174.5-32.900111.3L23 Q24 K29 T30 V31L23-Q27 WeakPolarHBondContact O-CG 3.26Å; L23-Q27 PolarHBondContact O-N 3.22Å; Q24-Q27 PolarHBondContact O-N 3.11Å; Q27-K29 VanDerWaalsContact C-N 3.35Å; Q27-K29 PolarHBondContact O-N 2.89Å; Q27-T30 PolarHBondContact O-N 3.37Å; Q27-T30 PolarHBondContact O-OG1 3.18Å; Q27-V31 WeakPolarHBondContact O-CG2 3.4Å; Q27-V31 PolarHBondContact O-N 3.41Å
28I65.9Low70.3Confident113 Ų113114.7 Ų114.758%0.57958%0.577SS**Hα-helixtrans-57-49178.5-66.2165.1000110.7Q24 V25 H26 T30 V31 S32Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.08Å; V25-I28 PolarHBondContact O-N 3.41Å; H26-I28 PolarHBondContact O-N 3.24Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.42Å; I28-V31 PolarHBondContact O-N 3.04Å; I28-V31 VanDerWaalsContact O-N 3.12Å; I28-S32 PolarHBondContact O-N 2.66Å; I28-S32 PolarHBondContact O-OG 2.89Å
29K69Low69.7Low144 Ų144116 Ų11663%0.62658%0.579SS**Hα-helixtrans-55.7-41.7179.9-84.5-175.9176.4-178.40113V25 H26 Q27 V31 S32V25-K29 PolarHBondContact O-N 2.85Å; V25-K29 VanDerWaalsContact O-N 3.1Å; H26-K29 PolarHBondContact O-N 3.41Å; Q27-K29 VanDerWaalsContact C-N 3.35Å; Q27-K29 PolarHBondContact O-N 2.89Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 3.3Å; K29-S32 PolarHBondContact O-N 2.8Å; K29-S32 PolarHBondContact O-OG 3.32Å
30T63.9Low69Low82 Ų82117.6 Ų117.650%0.50359%0.587SS.*Hα-helixtrans-70.3-27.4-179.155.80000114.1H26 Q27 I28H26-T30 PolarHBondContact O-N 2.92Å; H26-T30 VanDerWaalsContact O-N 3.17Å; H26-T30 PolarHBondContact O-OG1 3.17Å; Q27-T30 PolarHBondContact O-N 3.37Å; Q27-T30 PolarHBondContact O-OG1 3.18Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.42Å
31V62.8Low68Low128 Ų128117 Ų11778%0.77659%0.59SS**Hα-helixtrans-83.9-29.6176.7-168.20000111Q27 I28 K29 D33Q27-V31 WeakPolarHBondContact O-CG2 3.4Å; Q27-V31 PolarHBondContact O-N 3.41Å; I28-V31 PolarHBondContact O-N 3.04Å; I28-V31 VanDerWaalsContact O-N 3.12Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 3.3Å; V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.49Å
32S61Low67.4Low45 Ų45117.5 Ų117.532%0.31559%0.594SS.*  trans-94.835.2-179.163.80000113.2I28 K29 W34I28-S32 PolarHBondContact O-N 2.66Å; I28-S32 PolarHBondContact O-OG 2.89Å; K29-S32 PolarHBondContact O-N 2.8Å; K29-S32 PolarHBondContact O-OG 3.32Å; S32-W34 PolarHBondContact O-N 2.93Å
33D65Low66.7Low137 Ų137116.2 Ų116.273%0.73359%0.585SS**  trans-6682.8162.4-100-5.3000107.1V31 R35V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.49Å; D33-R35 PolarHBondContact O-N 3.29Å
34W63.4Low66.2Low218 Ų218115.5 Ų115.583%0.82658%0.578SS**  trans-65.783171.5-65100.9000107.2S32 F36S32-W34 PolarHBondContact O-N 2.93Å; W34-F36 PolarHBondContact O-N 3.48Å; W34-F36 VanDerWaalsContact O-N 3.17Å
35R64Low65.7Low173 Ų173118.3 Ų118.365%0.65358%0.584SS**  trans-69.7111.6172.2-121.1-171.9145.8177.6-7.8107.3D33 D37 D38D33-R35 PolarHBondContact O-N 3.29Å; R35-D37 IonicContact CZ-OD2 3.11Å; R35-D37 IonicContact NE-OD2 2.72Å; R35-D37 PolarHBondContact NE-OD2 3.22Å; R35-D37 IonicContact NH2-OD2 2.87Å; R35-D37 PolarHBondContact NH2-OD2 3.38Å; R35-D37 PolarHBondContact O-N 3.21Å; R35-D37 VanDerWaalsContact O-N 3.12Å; R35-D38 PolarHBondContact O-N 3.29Å
36F59.4Low65.7Low165 Ų165117 Ų11772%0.72458%0.581SS**THydrogen-bonded Turntrans-60.5-16.9172.9-69.6-73.3000112.5W34 D38 I39W34-F36 PolarHBondContact O-N 3.48Å; W34-F36 VanDerWaalsContact O-N 3.17Å; F36-D38 PolarHBondContact O-N 2.93Å; F36-I39 HydrophobicContact CD1-CD1 3.95Å; F36-I39 PolarHBondContact O-N 3.04Å
37D63.2Low65.5Low97 Ų97117.8 Ų117.852%0.51958%0.579SS.*THydrogen-bonded Turntrans-61.1-21.3178.5-61-29.1000113.2R35R35-D37 IonicContact CZ-OD2 3.11Å; R35-D37 IonicContact NE-OD2 2.72Å; R35-D37 PolarHBondContact NE-OD2 3.22Å; R35-D37 IonicContact NH2-OD2 2.87Å; R35-D37 PolarHBondContact NH2-OD2 3.38Å; R35-D37 PolarHBondContact O-N 3.21Å; R35-D37 VanDerWaalsContact O-N 3.12Å
38D61.2Low65.6Low124 Ų124116.4 Ų116.466%0.66357%0.574SS**Hα-helixtrans-83.6-7.3-179-71-29.2000114.3R35 F36 N42R35-D38 PolarHBondContact O-N 3.29Å; F36-D38 PolarHBondContact O-N 2.93Å; D38-N42 PolarHBondContact O-N 3.46Å
39I60.2Low66.1Low97 Ų97117.1 Ų117.150%0.49758%0.575SS.*Hα-helixtrans-67.5-40.5179.8-64.7176.2000110.4F36 G41 N42 E43F36-I39 HydrophobicContact CD1-CD1 3.95Å; F36-I39 PolarHBondContact O-N 3.04Å; I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.17Å; I39-N42 PolarHBondContact O-N 3.35Å; I39-E43 PolarHBondContact O-N 3.18Å
40D62.1Low66.5Low118 Ų118115.3 Ų115.363%0.63157%0.571SS**Hα-helixtrans-66.7-36.1-176.7-56.9-12.8000111.5E43 E44D40-E43 PolarHBondContact O-N 3.17Å; D40-E44 PolarHBondContact O-N 3.38Å
41G62.8Low67.2Low47 Ų47113.5 Ų113.549%0.48557%0.565SS.*Hα-helixtrans-69.9-32.5-179.800000113.5I39 R45I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.17Å; G41-R45 PolarHBondContact O-N 2.92Å
42N68Low67.9Low111 Ų111111.6 Ų111.659%0.59455%0.55SS**Hα-helixtrans-70.6-38.2176.9-177.947.1000111.7D38 I39 E44 R45 A46D38-N42 PolarHBondContact O-N 3.46Å; I39-N42 PolarHBondContact O-N 3.35Å; N42-E44 PolarHBondContact O-N 2.95Å; N42-R45 PolarHBondContact O-N 3.46Å; N42-A46 WeakPolarHBondContact O-CB 3.38Å; N42-A46 PolarHBondContact O-N 2.92Å
43E66.8Low68.7Low91 Ų91116.1 Ų116.143%0.42557%0.565SS.*Hα-helixtrans-62.3-43.6176.3-72.2-164.5-17900112I39 D40 R45 A46 R47I39-E43 PolarHBondContact O-N 3.18Å; D40-E43 PolarHBondContact O-N 3.17Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.24Å; E43-A46 CarbonylContact O-C 3.58Å; E43-A46 PolarHBondContact O-N 2.87Å; E43-R47 WeakPolarHBondContact O-CB 3.44Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.43Å; E43-R47 PolarHBondContact O-N 3.4Å; E43-R47 IonicContact OE2-CZ 3.33Å; E43-R47 IonicContact OE2-NH1 2.99Å; E43-R47 PolarHBondContact OE2-NH1 3.34Å; E43-R47 IonicContact OE2-NH2 2.87Å; E43-R47 PolarHBondContact OE2-NH2 3.05Å
44E68.4Low68.8Low100 Ų100115.8 Ų115.847%0.46755%0.554SS.*Hα-helixtrans-66.4-37.2179.7-169.756.6-15400111.5D40 N42 R47 M48D40-E44 PolarHBondContact O-N 3.38Å; N42-E44 PolarHBondContact O-N 2.95Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-M48 WeakPolarHBondContact O-CB 3.43Å; E44-M48 WeakPolarHBondContact O-CG 3.44Å; E44-M48 PolarHBondContact O-N 3.44Å
45R68.5Low69.2Low168 Ų168111.3 Ų111.363%0.63454%0.54SS*.Hα-helixtrans-62.2-45.7172.4-143.1-178.4-160.2121.50.6111.2G41 N42 E43 M48 E49G41-R45 PolarHBondContact O-N 2.92Å; N42-R45 PolarHBondContact O-N 3.46Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.24Å; R45-M48 PolarHBondContact O-N 3.21Å; R45-E49 WeakPolarHBondContact O-CG 3.25Å; R45-E49 PolarHBondContact O-N 3.28Å
46A75.1Confident69.4Low45 Ų45106.7 Ų106.737%0.37253%0.532SS..Hα-helixtrans-64-39.1175.900000112.2N42 E43 E49 L50N42-A46 WeakPolarHBondContact O-CB 3.38Å; N42-A46 PolarHBondContact O-N 2.92Å; E43-A46 CarbonylContact O-C 3.58Å; E43-A46 PolarHBondContact O-N 2.87Å; A46-E49 PolarHBondContact O-N 3.43Å; A46-L50 WeakPolarHBondContact O-CB 3.21Å; A46-L50 PolarHBondContact O-N 2.89Å
47R73Confident69.5Low139 Ų139102.6 Ų102.653%0.52552%0.518SS..Hα-helixtrans-63-43.5174-76.8-179.3177.9108.813.8111.1E43 E44 L50 A51E43-R47 WeakPolarHBondContact O-CB 3.44Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.43Å; E43-R47 PolarHBondContact O-N 3.4Å; E43-R47 IonicContact OE2-CZ 3.33Å; E43-R47 IonicContact OE2-NH1 2.99Å; E43-R47 PolarHBondContact OE2-NH1 3.34Å; E43-R47 IonicContact OE2-NH2 2.87Å; E43-R47 PolarHBondContact OE2-NH2 3.05Å; E44-R47 PolarHBondContact O-N 2.85Å; R47-L50 PolarHBondContact O-N 2.81Å; R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 2.99Å
48M73.9Confident69.3Low102 Ų10299.7 Ų99.750%0.50251%0.511SS..Hα-helixtrans-65.5-42.8176.1-78.3-160.2-76.700112.3E44 R45 A51 N52E44-M48 WeakPolarHBondContact O-CB 3.43Å; E44-M48 WeakPolarHBondContact O-CG 3.44Å; E44-M48 PolarHBondContact O-N 3.44Å; R45-M48 PolarHBondContact O-N 3.21Å; M48-A51 PolarHBondContact O-N 2.87Å; M48-N52 WeakPolarHBondContact O-CB 3.39Å; M48-N52 PolarHBondContact O-N 3.23Å; M48-N52 PolarHBondContact O-ND2 2.87Å
49E76.7Confident69.4Low129 Ų12999.1 Ų99.160%0.60350%0.504SS*.Hα-helixtrans-62.1-44175.1-75.3-179.2-175.500111.6R45 A46 N52 F53R45-E49 WeakPolarHBondContact O-CG 3.25Å; R45-E49 PolarHBondContact O-N 3.28Å; A46-E49 PolarHBondContact O-N 3.43Å; E49-N52 PolarHBondContact O-N 3.34Å; E49-F53 PolarHBondContact O-N 2.75Å
50L77.5Confident69.3Low105 Ų105101.6 Ų101.655%0.5551%0.511SS..Hα-helixtrans-63.4-45.4176.6-166144.3000111A46 R47 N52 F53 Y54A46-L50 WeakPolarHBondContact O-CB 3.21Å; A46-L50 PolarHBondContact O-N 2.89Å; R47-L50 PolarHBondContact O-N 2.81Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.49Å; L50-F53 WeakPolarHBondContact O-CB 3.19Å; L50-F53 PolarHBondContact O-N 3.34Å; L50-Y54 HydrophobicContact CD1-CE2 4.45Å; L50-Y54 HydrophobicContact CD2-CD2 3.54Å; L50-Y54 HydrophobicContact CD2-CE2 3.59Å; L50-Y54 HydrophobicContact CG-CD2 3.93Å; L50-Y54 HydrophobicContact CG-CE2 3.74Å; L50-Y54 WeakPolarHBondContact O-CD2 3.43Å; L50-Y54 PolarHBondContact O-N 3.21Å
51A77.9Confident69Low45 Ų45104 Ų10437%0.37252%0.516SS..Hα-helixtrans-59.2-42.1174.800000111.7R47 M48 F53 Y54 K55R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 2.99Å; M48-A51 PolarHBondContact O-N 2.87Å; A51-F53 VanDerWaalsContact C-N 3.33Å; A51-F53 PolarHBondContact O-N 3.46Å; A51-Y54 PolarHBondContact O-N 3.38Å; A51-K55 VanDerWaalsContact O-CG 3.25Å; A51-K55 WeakPolarHBondContact O-CG 3.25Å; A51-K55 PolarHBondContact O-N 2.87Å
52N78.1Confident68.8Low87 Ų87108.1 Ų108.147%0.46552%0.523SS..Hα-helixtrans-64.8-36.2177-70.2-24.8000112.7M48 E49 L50 K55 P56M48-N52 WeakPolarHBondContact O-CB 3.39Å; M48-N52 PolarHBondContact O-N 3.23Å; M48-N52 PolarHBondContact O-ND2 2.87Å; E49-N52 PolarHBondContact O-N 3.34Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.49Å; N52-K55 PolarHBondContact OD1-NZ 3.46Å; N52-P56 VanDerWaalsContact O-CD 3.25Å; N52-P56 WeakPolarHBondContact O-CD 3.36Å
53F76.8Confident68.5Low141 Ų141109.2 Ų109.262%0.61852%0.524SS*.Hα-helixtrans-66.7-39.5175.1-174.3-98000112.8E49 L50 A51 P56E49-F53 PolarHBondContact O-N 2.75Å; L50-F53 WeakPolarHBondContact O-CB 3.19Å; L50-F53 PolarHBondContact O-N 3.34Å; A51-F53 VanDerWaalsContact C-N 3.33Å; A51-F53 PolarHBondContact O-N 3.46Å; F53-P56 WeakPolarHBondContact O-CD 3.32Å; F53-P56 WeakPolarHBondContact O-CG 3.39Å
54Y67.8Low68.1Low129 Ų129111.3 Ų111.351%0.50653%0.532SS..Hα-helixtrans-86.2-20.4-178.8-72.9-75.8000115L50 A51 L57 G58L50-Y54 HydrophobicContact CD1-CE2 4.45Å; L50-Y54 HydrophobicContact CD2-CD2 3.54Å; L50-Y54 HydrophobicContact CD2-CE2 3.59Å; L50-Y54 HydrophobicContact CG-CD2 3.93Å; L50-Y54 HydrophobicContact CG-CE2 3.74Å; L50-Y54 WeakPolarHBondContact O-CD2 3.43Å; L50-Y54 PolarHBondContact O-N 3.21Å; A51-Y54 PolarHBondContact O-N 3.38Å; Y54-L57 HydrophobicContact CD1-CD1 3.6Å; Y54-L57 HydrophobicContact CE1-CD1 4.02Å; Y54-L57 WeakPolarHBondContact O-CB 3.29Å; Y54-L57 PolarHBondContact O-N 3.42Å; Y54-G58 PolarHBondContact O-N 3.39Å
55K72.1Confident67.7Low125 Ų125113.1 Ų113.154%0.54354%0.54SS..Hα-helixtrans-46.1-52.5173.9-86.5171.5-166.2170.90113.4A51 N52 L57 G58A51-K55 VanDerWaalsContact O-CG 3.25Å; A51-K55 WeakPolarHBondContact O-CG 3.25Å; A51-K55 PolarHBondContact O-N 2.87Å; N52-K55 PolarHBondContact OD1-NZ 3.46Å; K55-L57 VanDerWaalsContact C-N 3.31Å; K55-L57 PolarHBondContact O-N 3.17Å; K55-G58 PolarHBondContact O-N 3.34Å
56P67.2Low67.2Low75 Ų75113.9 Ų113.949%0.48754%0.543SS..Hα-helixtrans-66.4-28.8179.623.9-33000114N52 F53 G58 H59N52-P56 VanDerWaalsContact O-CD 3.25Å; N52-P56 WeakPolarHBondContact O-CD 3.36Å; F53-P56 WeakPolarHBondContact O-CD 3.32Å; F53-P56 WeakPolarHBondContact O-CG 3.39Å; P56-G58 VanDerWaalsContact C-N 3.3Å; P56-G58 PolarHBondContact O-N 3.25Å; P56-H59 PolarHBondContact O-N 3.46Å
57L61.8Low66.3Low79 Ų79115.7 Ų115.741%0.41455%0.546SS..Hα-helixtrans-68.2-31.4175.8-72163.9000111.8Y54 K55 H59 K60Y54-L57 HydrophobicContact CD1-CD1 3.6Å; Y54-L57 HydrophobicContact CE1-CD1 4.02Å; Y54-L57 WeakPolarHBondContact O-CB 3.29Å; Y54-L57 PolarHBondContact O-N 3.42Å; K55-L57 VanDerWaalsContact C-N 3.31Å; K55-L57 PolarHBondContact O-N 3.17Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.34Å; L57-K60 PolarHBondContact O-N 3.41Å
58G60.3Low65.6Low36 Ų36112.4 Ų112.437%0.37154%0.541SS..Hα-helixtrans-61-38.6173.200000112.9Y54 K55 P56 K60 K61 Q62Y54-G58 PolarHBondContact O-N 3.39Å; K55-G58 PolarHBondContact O-N 3.34Å; P56-G58 VanDerWaalsContact C-N 3.3Å; P56-G58 PolarHBondContact O-N 3.25Å; G58-K60 VanDerWaalsContact C-N 3.31Å; G58-K60 PolarHBondContact O-N 3.45Å; G58-K61 PolarHBondContact O-N 2.75Å; G58-Q62 PolarHBondContact O-N 3.17Å
59H61.8Low64.8Low112 Ų112112.3 Ų112.352%0.51955%0.55SS.*Hα-helixtrans-65.9-31.8178.3-59.4-50.3000112.7P56 L57 K61 Q62 Q63P56-H59 PolarHBondContact O-N 3.46Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.34Å; H59-K61 PolarHBondContact O-N 3.41Å; H59-Q62 PolarHBondContact O-N 2.77Å; H59-Q63 WeakPolarHBondContact O-CG 3.4Å; H59-Q63 PolarHBondContact O-N 3.12Å
60K57.9Low64Low150 Ų150110.3 Ų110.365%0.65255%0.547SS*.Hα-helixtrans-63.8-38.8174.6-71.9-175.7179.8177.70112.2L57 G58 Q63 F64L57-K60 PolarHBondContact O-N 3.41Å; G58-K60 VanDerWaalsContact C-N 3.31Å; G58-K60 PolarHBondContact O-N 3.45Å; K60-Q63 PolarHBondContact O-N 2.91Å; K60-F64 PolarHBondContact O-N 3.42Å
61K56.9Low62.9Low168 Ų168109.3 Ų109.373%0.7354%0.542SS*.Hα-helixtrans-64.1-43.6174-76.9-170.4175.2-176.90111.6G58 H59 Q63 F64 E65G58-K61 PolarHBondContact O-N 2.75Å; H59-K61 PolarHBondContact O-N 3.41Å; K61-Q63 VanDerWaalsContact C-N 3.3Å; K61-Q63 PolarHBondContact O-N 3.02Å; K61-F64 PolarHBondContact O-N 2.97Å; K61-E65 PolarHBondContact O-N 3.25Å
62Q59.1Low61.7Low134 Ų134118.1 Ų118.163%0.62657%0.566SS**Hα-helixtrans-62.8-37176.6-68-176.9-11.100112.4G58 H59 E65 R66G58-Q62 PolarHBondContact O-N 3.17Å; H59-Q62 PolarHBondContact O-N 2.77Å; Q62-E65 PolarHBondContact O-N 3.38Å; Q62-R66 WeakPolarHBondContact O-CB 3.46Å; Q62-R66 PolarHBondContact O-N 3.12Å
63Q61.5Low60.5Low133 Ų133118 Ų11862%0.62157%0.565SS**Hα-helixtrans-64.4-40.1175.4-74-158.3-10.100112.4H59 K60 K61 R66 I67H59-Q63 WeakPolarHBondContact O-CG 3.4Å; H59-Q63 PolarHBondContact O-N 3.12Å; K60-Q63 PolarHBondContact O-N 2.91Å; K61-Q63 VanDerWaalsContact C-N 3.3Å; K61-Q63 PolarHBondContact O-N 3.02Å; Q63-R66 PolarHBondContact O-N 2.87Å; Q63-I67 VanDerWaalsContact O-CG1 3.27Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.72Å
64F58.9Low59.5Low136 Ų136117.4 Ų117.460%0.59658%0.575SS**Hα-helixtrans-61.7-45.5176-177.4-100.4000111.7K60 K61 R66 I67 V68K60-F64 PolarHBondContact O-N 3.42Å; K61-F64 PolarHBondContact O-N 2.97Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 3.1Å; F64-I67 PolarHBondContact O-N 3.42Å; F64-V68 HydrophobicContact CD1-CG2 4.42Å; F64-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CZ-CG2 4.1Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 2.99Å
65E59.4Low58.9Low137 Ų137114.7 Ų114.764%0.6459%0.586SS**Hα-helixtrans-66.1-34.5177-65.2-154.2167.100112.9K61 Q62 V68 S69K61-E65 PolarHBondContact O-N 3.25Å; Q62-E65 PolarHBondContact O-N 3.38Å; E65-V68 PolarHBondContact O-N 3.22Å; E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 2.91Å; E65-S69 PolarHBondContact O-OG 3.31Å
66R57.1Low58Low185 Ų185115 Ų11570%0.69859%0.593SS**Hα-helixtrans-66.4-40.1173.9-169.4175.3-165.5-149.54.4111.6Q62 Q63 F64 S69 T70Q62-R66 WeakPolarHBondContact O-CB 3.46Å; Q62-R66 PolarHBondContact O-N 3.12Å; Q63-R66 PolarHBondContact O-N 2.87Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 3.1Å; R66-S69 PolarHBondContact O-N 3.48Å; R66-T70 WeakPolarHBondContact CG-OG1 3.44Å; R66-T70 VanDerWaalsContact O-CB 3.26Å; R66-T70 WeakPolarHBondContact O-CB 3.37Å; R66-T70 PolarHBondContact O-N 3.27Å; R66-T70 PolarHBondContact O-OG1 3.46Å
67I57.2Low57.4Low82 Ų82117.2 Ų117.242%0.42160%0.601SS.*Hα-helixtrans-61.9-46.3175.8-70.2164.3000109.7Q63 F64 S69 N71Q63-I67 VanDerWaalsContact O-CG1 3.27Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.72Å; F64-I67 PolarHBondContact O-N 3.42Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.77Å; I67-N71 WeakPolarHBondContact O-CA 3.48Å; I67-N71 WeakPolarHBondContact O-CB 3.42Å; I67-N71 PolarHBondContact O-N 3.28Å
68V57.1Low57.2Low71 Ų71122 Ų12243%0.4362%0.619SS.*Hα-helixtrans-64.3-35.7178.2177.50000112F64 E65F64-V68 HydrophobicContact CD1-CG2 4.42Å; F64-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CZ-CG2 4.1Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 2.99Å; E65-V68 PolarHBondContact O-N 3.22Å
69S57.5Low57Low99 Ų99128.5 Ų128.569%0.69264%0.636SS**Hα-helixtrans-79.3-36.9-180-58.50000113.6E65 R66 I67E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 2.91Å; E65-S69 PolarHBondContact O-OG 3.31Å; R66-S69 PolarHBondContact O-N 3.48Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.77Å
70T59.8Low56.6Low88 Ų88128 Ų12854%0.5464%0.642SS.*Hα-helixtrans-92.1-41-172.9-37.40000111.2R66 R72R66-T70 WeakPolarHBondContact CG-OG1 3.44Å; R66-T70 VanDerWaalsContact O-CB 3.26Å; R66-T70 WeakPolarHBondContact O-CB 3.37Å; R66-T70 PolarHBondContact O-N 3.27Å; R66-T70 PolarHBondContact O-OG1 3.46Å; T70-R72 PolarHBondContact O-N 3.48Å; T70-R72 VanDerWaalsContact O-N 3.11Å
71N55Low56.4Low83 Ų83129 Ų12944%0.44465%0.646SS.*SBendtrans-85.194.9171.6-59.8-9.2000105.6I67 L73I67-N71 WeakPolarHBondContact O-CA 3.48Å; I67-N71 WeakPolarHBondContact O-CB 3.42Å; I67-N71 PolarHBondContact O-N 3.28Å; N71-L73 HydrophobicContact CB-CD2 4.19Å; N71-L73 HydrophobicContact CB-CG 3.9Å; N71-L73 PolarHBondContact O-N 3.17Å
72R51.5Low56.5Low231 Ų231127.5 Ų127.587%0.87265%0.646SS**  trans-53.568.5152.2-61.9173.7-177.8-92.60.5108T70 P74T70-R72 PolarHBondContact O-N 3.48Å; T70-R72 VanDerWaalsContact O-N 3.11Å; R72-P74 WeakPolarHBondContact O-CD 3.48Å
73L53.8Low56.1Low84 Ų84130.5 Ų130.544%0.4465%0.651SS.*  trans-67.4103.9171.9-72.6178.3000104.1N71 G75 L76N71-L73 HydrophobicContact CB-CD2 4.19Å; N71-L73 HydrophobicContact CB-CG 3.9Å; N71-L73 PolarHBondContact O-N 3.17Å; L73-G75 VanDerWaalsContact C-N 3.28Å; L73-G75 PolarHBondContact O-N 3.29Å; L73-L76 HydrophobicContact CB-CB 4.39Å; L73-L76 HydrophobicContact CD1-CD1 4.18Å; L73-L76 PolarHBondContact O-N 3.14Å
74P56.5Low55.8Low129 Ų129129 Ų12984%0.83865%0.647SS**THydrogen-bonded Turntrans-71.494.5-176.829.6-25.4000106.2R72R72-P74 WeakPolarHBondContact O-CD 3.48Å
75G55.4Low55.7Low71 Ų71130.3 Ų130.373%0.73266%0.661SS**THydrogen-bonded Turntrans144-18.2-178.700000115.5L73L73-G75 VanDerWaalsContact C-N 3.28Å; L73-G75 PolarHBondContact O-N 3.29Å
76L53.2Low55.5Low132 Ų132130.1 Ų130.169%0.69166%0.664SS**  trans-112.224.5176.3-89.4164.4000112.5L73 K78L73-L76 HydrophobicContact CB-CB 4.39Å; L73-L76 HydrophobicContact CD1-CD1 4.18Å; L73-L76 PolarHBondContact O-N 3.14Å; L76-K78 PolarHBondContact O-N 3.43Å
77D54.4Low55.3Low122 Ų122123.4 Ų123.465%0.65265%0.648SS**  trans-54.9121.5158.2-75.1-35.8000106.3K79D77-K79 HydrophobicContact CB-CG 4.41Å; D77-K79 PolarHBondContact O-N 3.16Å
78K56.2Low55.1Low180 Ų180127.7 Ų127.778%0.78367%0.666SS**  trans-5880161.5-69.7176.3-178.8177.30105.8L76 T80L76-K78 PolarHBondContact O-N 3.43Å; K78-T80 PolarHBondContact O-N 3.25Å
79K56.8Low55Low171 Ų171129.1 Ų129.174%0.74367%0.67SS**  trans-6489.7165.9-75-179.3172.3179.30103.3D77 F81D77-K79 HydrophobicContact CB-CG 4.41Å; D77-K79 PolarHBondContact O-N 3.16Å; K79-F81 PolarHBondContact O-N 3.14Å
80T54Low55Low103 Ų103129.3 Ų129.363%0.63267%0.672SS**  trans-44.4117.2163.137.90000105.4K78 D82K78-T80 PolarHBondContact O-N 3.25Å; T80-D82 PolarHBondContact O-N 3.48Å
81F54.2Low54.6Low171 Ų171128.6 Ų128.675%0.7568%0.682SS**SBendtrans-67.721.1179.4-74.9-88.6000111.9K79 R83 L84K79-F81 PolarHBondContact O-N 3.14Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.39Å; F81-L84 HydrophobicContact CD1-CD1 3.93Å
82D57.4Low54.4Low135 Ų135130.9 Ų130.972%0.72269%0.694SS**THydrogen-bonded Turntrans-85.23.5-168-64.6-22.8000113T80T80-D82 PolarHBondContact O-N 3.48Å
83R50.6Low54.3Low197 Ų197124.4 Ų124.474%0.74368%0.684SS**THydrogen-bonded Turntrans-134.630.2178.5-65.8-169.2176.2141.4-0.2114.5F81 A87F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.39Å; R83-A87 PolarHBondContact O-N 3.02Å
84L56.4Low54.3Low102 Ų102128.3 Ų128.353%0.53470%0.697SS.*THydrogen-bonded Turntrans-73-16.2167.5-82.4171000112.9F81 D86 A87F81-L84 HydrophobicContact CD1-CD1 3.93Å; L84-D86 VanDerWaalsContact C-N 3.35Å; L84-A87 HydrophobicContact CD2-CB 4.32Å
85D55.8Low54.4Low164 Ų164132.8 Ų132.888%0.87770%0.697SS**THydrogen-bonded Turntrans-71.3-30.3173.8-72.7-17.9000112.4
86D55.1Low54.3Low132 Ų132135.2 Ų135.271%0.70669%0.693SS**THydrogen-bonded Turntrans-95.3-11.7179.2-64.4-34.8000113.3L84 H88L84-D86 VanDerWaalsContact C-N 3.35Å; D86-H88 PolarHBondContact O-N 3.37Å
87A54Low54.3Low44 Ų44137.4 Ų137.436%0.36470%0.698SS.*  trans-72.486.6174.100000107.9R83 L84 L89R83-A87 PolarHBondContact O-N 3.02Å; L84-A87 HydrophobicContact CD2-CB 4.32Å; A87-L89 WeakPolarHBondContact O-CG 3.47Å; A87-L89 PolarHBondContact O-N 3.04Å
88H51.9Low54.3Low173 Ų173138.1 Ų138.180%0.80170%0.702SS**  trans-54.288.3164.9-169.8-110.3000107.9D86 S90D86-H88 PolarHBondContact O-N 3.37Å; H88-S90 PolarHBondContact O-N 3.41Å
89L55.6Low54Low100 Ų100134 Ų13452%0.52470%0.695SS.*  trans-68.674178-67.8171.7000108A87 G91 L92A87-L89 WeakPolarHBondContact O-CG 3.47Å; A87-L89 PolarHBondContact O-N 3.04Å; L89-G91 PolarHBondContact O-N 3.19Å; L89-L92 HydrophobicContact CB-CB 4.08Å; L89-L92 HydrophobicContact CB-CG 4.45Å; L89-L92 HydrophobicContact CD1-CD1 4.05Å; L89-L92 CarbonylContact O-C 3.42Å; L89-L92 PolarHBondContact O-N 2.98Å
90S56.8Low53.9Low104 Ų104132.6 Ų132.673%0.72769%0.693SS**THydrogen-bonded Turntrans-56.1-16.7-178.6-179.40000113.4H88H88-S90 PolarHBondContact O-N 3.41Å
91G51.7Low53.9Low73 Ų73136.2 Ų136.275%0.75370%0.703SS**THydrogen-bonded Turntrans-101.9-19.8175.600000115.2L89 S93L89-G91 PolarHBondContact O-N 3.19Å; G91-S93 VanDerWaalsContact C-N 3.26Å; G91-S93 PolarHBondContact O-N 3.03Å
92L50.9Low53.8Low131 Ų131131.5 Ų131.569%0.68670%0.702SS**  trans-97.567.1170-56.1-170.9000106.4L89 K94L89-L92 HydrophobicContact CB-CB 4.08Å; L89-L92 HydrophobicContact CB-CG 4.45Å; L89-L92 HydrophobicContact CD1-CD1 4.05Å; L89-L92 CarbonylContact O-C 3.42Å; L89-L92 PolarHBondContact O-N 2.98Å; L92-K94 PolarHBondContact O-N 3.41Å
93S49.7Very low53.5Low94 Ų94130 Ų13066%0.65770%0.698SS**  trans-50.8102.9157168.90000104.7G91 R95G91-S93 VanDerWaalsContact C-N 3.26Å; G91-S93 PolarHBondContact O-N 3.03Å; S93-R95 VanDerWaalsContact C-N 3.27Å; S93-R95 PolarHBondContact O-N 3.35Å
94K55Low53.6Low166 Ų166123.7 Ų123.772%0.72269%0.694SS**  trans-44.3108.1163.8-169171.8-171.4170.40101.5L92 D96L92-K94 PolarHBondContact O-N 3.41Å; K94-D96 PolarHBondContact O-N 3.02Å
95R56.8Low53.6Low223 Ų223125 Ų12584%0.84270%0.701SS**  trans-52.6104.9173.6-67.7-177.4-163.8165.23.9101.9S93 F97S93-R95 VanDerWaalsContact C-N 3.27Å; S93-R95 PolarHBondContact O-N 3.35Å; R95-F97 VanDerWaalsContact C-N 3.33Å; R95-F97 PolarHBondContact O-N 3.44Å
96D54.7Low53.4Low122 Ų122120 Ų12065%0.65269%0.688SS**  trans-54.2116.3179.8-71.8-46.7000101.6K94 D98K94-D96 PolarHBondContact O-N 3.02Å; D96-D98 PolarHBondContact O-N 3.45Å
97F52Low53.3Low178 Ų178120.9 Ų120.978%0.78169%0.693SS**  trans-64.487.5174.6-84.6-97.7000102.3R95 S99R95-F97 VanDerWaalsContact C-N 3.33Å; R95-F97 PolarHBondContact O-N 3.44Å; F97-S99 PolarHBondContact O-N 3.32Å
98D55.8Low53.2Low138 Ų138126.8 Ų126.874%0.73871%0.711SS**  trans-45.1118.3175.6-83.7-32.7000104.1D96 M100D96-D98 PolarHBondContact O-N 3.45Å; D98-M100 PolarHBondContact O-N 3.44Å
99S49.2Very low53.2Low92 Ų92126 Ų12664%0.64371%0.707SS**  trans-42.2109.2-170.248.10000109F97 E101F97-S99 PolarHBondContact O-N 3.32Å; S99-E101 PolarHBondContact O-N 3.2Å
100M54.6Low53.2Low142 Ų142130.6 Ų130.670%0.772%0.723SS**THydrogen-bonded Turntrans-72.235.2166.7-68.6-174.5-69.800110.1D98 G102D98-M100 PolarHBondContact O-N 3.44Å; M100-G102 PolarHBondContact O-N 3.36Å
101E53.1Low53.1Low179 Ų179136.1 Ų136.184%0.83673%0.728SS**THydrogen-bonded Turntrans-72.2-11.4176.9-169.3170-172.900111.5S99S99-E101 PolarHBondContact O-N 3.2Å
102G52.7Low53.3Low72 Ų72137.9 Ų137.974%0.74273%0.726SS**SBendtrans-114.9-15.3176.700000115.5M100 G104M100-G102 PolarHBondContact O-N 3.36Å; G102-G104 PolarHBondContact O-N 3.18Å
103V52.3Low53.4Low105 Ų105141.2 Ų141.264%0.63674%0.735SS**  trans-86.573-179.9-165.20000107.8L105V103-L105 PolarHBondContact O-N 3.43Å
104G51.5Low53.6Low64 Ų64143.5 Ų143.566%0.6674%0.74SS**  trans-48.3116.4164.900000107.5G102 G106G102-G104 PolarHBondContact O-N 3.18Å; G104-G106 PolarHBondContact O-N 2.97Å
105L55.6Low53.2Low128 Ų128140.2 Ų140.267%0.6774%0.738SS**  trans-63.581.1167.3-67.5169.8000106.4V103 N107 F108V103-L105 PolarHBondContact O-N 3.43Å; L105-N107 PolarHBondContact O-N 2.98Å; L105-F108 HydrophobicContact CB-CB 3.91Å; L105-F108 HydrophobicContact CD1-CB 4.45Å; L105-F108 HydrophobicContact CD1-CD2 4.26Å; L105-F108 HydrophobicContact CD1-CG 4.49Å; L105-F108 PolarHBondContact O-N 3.4Å
106G52.5Low53Low59 Ų59137.2 Ų137.261%0.60874%0.738SS**THydrogen-bonded Turntrans-60-4.8-171.800000114.1G104G104-G106 PolarHBondContact O-N 2.97Å
107N53.8Low52.9Low151 Ų151140 Ų14081%0.80775%0.747SS**THydrogen-bonded Turntrans-120.9-4.4180-57.587.7000113.4L105 H109L105-N107 PolarHBondContact O-N 2.98Å; N107-H109 PolarHBondContact O-N 3.39Å
108F50.2Low52.6Low168 Ų168143.6 Ų143.674%0.73776%0.755SS**  trans-80.567.7169.7-112.4-91.1000109.6L105 K110L105-F108 HydrophobicContact CB-CB 3.91Å; L105-F108 HydrophobicContact CD1-CB 4.45Å; L105-F108 HydrophobicContact CD1-CD2 4.26Å; L105-F108 HydrophobicContact CD1-CG 4.49Å; L105-F108 PolarHBondContact O-N 3.4Å; F108-K110 PolarHBondContact O-N 3.06Å
109H53.1Low52.2Low157 Ų157139.7 Ų139.773%0.72775%0.748SS**  trans-61.6106.8159.5-71.878.3000106.1N107 R111N107-H109 PolarHBondContact O-N 3.39Å; H109-R111 VanDerWaalsContact C-N 3.34Å; H109-R111 PolarHBondContact O-N 3.25Å
110K55.1Low52.1Low196 Ų196141.2 Ų141.285%0.85275%0.748SS**  trans-52.2103.1169.2-76.7-178.8176.9178.30106.5F108 P112F108-K110 PolarHBondContact O-N 3.06Å; K110-P112 WeakPolarHBondContact O-CD 3.45Å; K110-P112 VanDerWaalsContact O-N 3.15Å
111R54.9Low51.8Low221 Ų221140.3 Ų140.383%0.83475%0.753SS**  trans-58.6122169.5-68.5-176.3177.7-136.20.1105.4H109 F113H109-R111 VanDerWaalsContact C-N 3.34Å; H109-R111 PolarHBondContact O-N 3.25Å; R111-F113 PolarHBondContact O-N 3.46Å; R111-F113 VanDerWaalsContact O-N 3.09Å
112P56.1Low51.4Low109 Ų109135.6 Ų135.671%0.70875%0.752SS**  trans-55.4125.117223.9-30.5000105.8K110 D114K110-P112 WeakPolarHBondContact O-CD 3.45Å; K110-P112 VanDerWaalsContact O-N 3.15Å; P112-D114 PolarHBondContact O-N 3.48Å
113F53.5Low51.5Low202 Ų202135 Ų13589%0.88674%0.737SS**  trans-64.496.2173.2-70.7-88.6000105.6R111 S115R111-F113 PolarHBondContact O-N 3.46Å; R111-F113 VanDerWaalsContact O-N 3.09Å; F113-S115 PolarHBondContact O-N 3.03Å; F113-S115 VanDerWaalsContact O-N 3.1Å
114D53.8Low51.3Low141 Ų141138.4 Ų138.475%0.75474%0.738SS**  trans-51.9123173.3-82.8-26.4000107.3P112 L116P112-D114 PolarHBondContact O-N 3.48Å; D114-L116 PolarHBondContact O-N 3.28Å
115S46.5Very low51.1Low98 Ų98144.1 Ų144.169%0.68575%0.745SS**  trans-47.7101.3-165.9-45.80000111.5F113 E117F113-S115 PolarHBondContact O-N 3.03Å; F113-S115 VanDerWaalsContact O-N 3.1Å; S115-E117 PolarHBondContact O-N 3.37Å
116L52.8Low50.9Low160 Ų160147 Ų14784%0.83875%0.747SS**G310 helixtrans-69.715.9166.2-73.2172.4000112.3D114 R118D114-L116 PolarHBondContact O-N 3.28Å; L116-R118 PolarHBondContact O-N 3.35Å; L116-R118 VanDerWaalsContact O-N 3.14Å
117E51.2Low50.8Low181 Ų181151.1 Ų151.185%0.84675%0.749SS**G310 helixtrans-62.5-19.5-178-172171.1-178.400112.7S115S115-E117 PolarHBondContact O-N 3.37Å
118R46.5Very low50.7Low252 Ų252150 Ų15095%0.95174%0.741SS**G310 helixtrans-96.9-0.2-171.5-123.8172.3-151.9-94.7-1.6117.2L116L116-R118 PolarHBondContact O-N 3.35Å; L116-R118 VanDerWaalsContact O-N 3.14Å
119G47.3Very low50.6Low57 Ų57149.9 Ų149.959%0.58874%0.743SS**THydrogen-bonded Turntrans-126.5-41.7-163.500000118.9
120L47.7Very low50.2Low124 Ų124152.5 Ų152.565%0.64975%0.746SS**  trans-141.3117.6-157.7-67.7173.1000113.5G122L120-G122 PolarHBondContact O-N 3.43Å; L120-G122 VanDerWaalsContact O-N 3.08Å
121P47.4Very low49.7Very low122 Ų122151.5 Ų151.579%0.79274%0.744SS**  trans-67.6107171.18.10.7000110.2S123P121-S123 VanDerWaalsContact C-N 3.34Å; P121-S123 PolarHBondContact O-N 3.38Å
122G45.3Very low49.2Very low80 Ų80148.7 Ų148.783%0.82574%0.74SS**SBendtrans63.5-8.5135.800000122.6L120L120-G122 PolarHBondContact O-N 3.43Å; L120-G122 VanDerWaalsContact O-N 3.08Å
123S53.8Low48.6Very low61 Ų61149.4 Ų149.443%0.42774%0.742SS.*  trans-109.5-24.3-170.8-1550000116.5P121 K125 R126P121-S123 VanDerWaalsContact C-N 3.34Å; P121-S123 PolarHBondContact O-N 3.38Å; S123-K125 PolarHBondContact O-N 3.34Å; S123-R126 PolarHBondContact OG-NH2 3.08Å
124W48.5Very low48.3Very low175 Ų175144.6 Ų144.666%0.66373%0.729SS**G310 helixtrans-77.5-13.2-169-6393.1000115.4R126 F127W124-R126 PolarHBondContact O-N 3.17Å; W124-R126 VanDerWaalsContact O-N 3.09Å; W124-F127 PolarHBondContact O-N 3.24Å; W124-F127 VanDerWaalsContact O-N 3.16Å
125K47.7Very low47.8Very low185 Ų185152 Ų15280%0.80475%0.749SS**G310 helixtrans-64.5-14.3177.8-122.4175.7-174.1-1790113.8S123 I128S123-K125 PolarHBondContact O-N 3.34Å; K125-I128 HydrophobicContact CG-CD1 4.38Å
126R50.9Low47.9Very low189 Ų189154.7 Ų154.771%0.71375%0.752SS**G310 helixtrans-78.1-14.3176.1-76.3-178.2-78.8-124.6-0.7114.3S123 W124S123-R126 PolarHBondContact OG-NH2 3.08Å; W124-R126 PolarHBondContact O-N 3.17Å; W124-R126 VanDerWaalsContact O-N 3.09Å
127F49.9Very low47.6Very low145 Ų145154.4 Ų154.464%0.63675%0.747SS**G310 helixtrans-90.90.1-174.9-93.4-84000115.6W124 H129W124-F127 PolarHBondContact O-N 3.24Å; W124-F127 VanDerWaalsContact O-N 3.16Å; F127-H129 PolarHBondContact O-N 3.28Å; F127-H129 VanDerWaalsContact O-N 3.11Å
128I51.9Low47.4Very low126 Ų126152.9 Ų152.965%0.64674%0.742SS**G310 helixtrans-68.9-7.7-175.6-63.2177.1000113.6K125K125-I128 HydrophobicContact CG-CD1 4.38Å
129H48.8Very low47.4Very low167 Ų167147.1 Ų147.177%0.77373%0.729SS**G310 helixtrans-106.134.6-175.2-59.493.4000115F127 H131F127-H129 PolarHBondContact O-N 3.28Å; F127-H129 VanDerWaalsContact O-N 3.11Å; H129-H131 PolarHBondContact O-N 3.4Å
130R44.6Very low47.5Very low211 Ų211152.7 Ų152.780%0.79674%0.738SS**  trans-85.388.6163.9-158.1-174.4-68.8-123.34109H132R130-H132 PolarHBondContact O-N 3.37Å; R130-H132 VanDerWaalsContact O-N 3.13Å
131H44.5Very low47.4Very low175 Ų175154.6 Ų154.681%0.8174%0.744SS**  trans-61.3107.9175.4-136.1-104000109.2H129 V133H129-H131 PolarHBondContact O-N 3.4Å; H131-V133 PolarHBondContact O-N 3.15Å
132H44.8Very low47.4Very low162 Ų162156.9 Ų156.975%0.7574%0.741SS**  trans-81.4106.5173.4-169-105.3000108.2R130 V134R130-H132 PolarHBondContact O-N 3.37Å; R130-H132 VanDerWaalsContact O-N 3.13Å; H132-V134 WeakPolarHBondContact CE1-CG2 3.45Å; H132-V134 WeakPolarHBondContact ND1-CG2 3.42Å
133V43.8Very low47.6Very low124 Ų124162.8 Ų162.875%0.75273%0.734SS**  trans-71.2122.3171.8177.80000107.8H131H131-V133 PolarHBondContact O-N 3.15Å
134V47.5Very low47.1Very low102 Ų102171.3 Ų171.362%0.61876%0.76SS**  trans-130.3121.2168.7-171.90000107.9H132H132-V134 WeakPolarHBondContact CE1-CG2 3.45Å; H132-V134 WeakPolarHBondContact ND1-CG2 3.42Å
135Y42.3Very low47Very low295 Ų295171 Ų171100%1.15777%0.769SS**  trans-17.90179.8-57.5-85000119.2

Retrieved 135 of 135 residues in 149.7 ms (Link to these results)