G4LUT8_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession G4LUT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 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
1M51.9Low50.1Low250 Ų250166.5 Ų166.5100%1.23284%0.844SS**  0108.60-71.7174.5150.900108.6
2K52Low49.5Very low215 Ų215167 Ų16794%0.93584%0.837SS**PPolyproline II helixtrans-101.8130.4178.1-71.4178.4175.1178.50108.2
3R56.2Low49Very low245 Ų245165.7 Ų165.793%0.92583%0.834SS**PPolyproline II helixtrans-91.4137.6170.4-78.9-172.8-76-169.4-3.3109.5
4P46.3Very low49Very low124 Ų124164.5 Ų164.581%0.80583%0.831SS**PPolyproline II helixtrans-85.2146.7-179.834.4-31.8000111.4
5I51.7Low49.1Very low160 Ų160164.6 Ų164.682%0.82183%0.827SS**PPolyproline II helixtrans-88.7117.2170.9-63.2165.6000106.1
6S54.9Low48.7Very low101 Ų101164.9 Ų164.971%0.70683%0.831SS**PPolyproline II helixtrans-98.1127173.855.70000110.1N8S6-N8 PolarHBondContact O-N 3.26Å
7D44.6Very low48.6Very low159 Ų159163.5 Ų163.585%0.8582%0.824SS**PPolyproline II helixtrans-63.6122.1179.2-65.9-50.1000112.2
8N52.5Low48.4Very low151 Ų151161.4 Ų161.481%0.80782%0.821SS**  trans-94.1113.9169.1-84.3-9.6000110.1S6S6-N8 PolarHBondContact O-N 3.26Å
9H47.4Very low48.1Very low179 Ų179158.8 Ų158.883%0.82981%0.81SS**  trans-45.9126.3169.3-132.9-91.4000112.5
10I46.9Very low48.4Very low136 Ų136156.1 Ų156.170%0.69780%0.801SS**  trans-102.8111.1167.8-59.6-177.6000108.2F12I10-F12 HydrophobicContact CG2-CD2 4.1Å; I10-F12 HydrophobicContact CG2-CE2 4.06Å
11V46.3Very low48.6Very low111 Ų111154.4 Ų154.467%0.67380%0.798SS**  trans-81.8122168176.50000107.5
12F43.4Very low48.7Very low173 Ų173145.8 Ų145.876%0.75977%0.767SS**  trans-93.3100.2174.1-95.9-89.2000109.7I10I10-F12 HydrophobicContact CG2-CD2 4.1Å; I10-F12 HydrophobicContact CG2-CE2 4.06Å
13D43.7Very low48.9Very low150 Ų150138.4 Ų138.480%0.80274%0.741SS**  trans-91110.2160.7-96.4-39.9000109.1H15D13-H15 PolarHBondContact O-N 2.89Å; D13-H15 VanDerWaalsContact O-N 3.14Å
14N48.6Very low49Very low149 Ų149130.9 Ų130.980%0.79772%0.722SS**  trans-79.587.3176.6-94.1-20.2000110.4
15H50.1Low50.1Low166 Ų166130.9 Ų130.977%0.76972%0.715SS**  trans-127.6104.2163.3-97.6-6.1000111D13 I17D13-H15 PolarHBondContact O-N 2.89Å; D13-H15 VanDerWaalsContact O-N 3.14Å; H15-I17 PolarHBondContact O-N 3.25Å
16L43.2Very low51.5Low169 Ų169126.8 Ų126.889%0.88570%0.701SS**  trans31.186.5154.2-79.8119.6000117.3
17I46.2Very low52.7Low141 Ų141131 Ų13172%0.72370%0.701SS**  trans-128.8108153.9-56.3-179.7000108H15 D19H15-I17 PolarHBondContact O-N 3.25Å; I17-D19 VanDerWaalsContact C-N 3.31Å; I17-D19 PolarHBondContact O-N 2.97Å
18V45.9Very low54.5Low126 Ų126127 Ų12776%0.76469%0.686SS**  trans-69.789.5168.2161.10000107.6T20V18-T20 WeakPolarHBondContact CG1-OG1 3.44Å; V18-T20 PolarHBondContact O-N 3.19Å; V18-T20 PolarHBondContact O-OG1 2.91Å
19D43Very low56.3Low113 Ų113122.3 Ų122.360%0.60467%0.665SS**  trans-72.290.9172.4-98.4-20.2000110I17 T21I17-D19 VanDerWaalsContact C-N 3.31Å; I17-D19 PolarHBondContact O-N 2.97Å; D19-T21 PolarHBondContact O-N 3.11Å; D19-T21 VanDerWaalsContact O-N 3.16Å
20T54.1Low58.4Low103 Ų103118.9 Ų118.963%0.63265%0.649SS**THydrogen-bonded Turntrans-720.2-179.7-58.60000113V18V18-T20 WeakPolarHBondContact CG1-OG1 3.44Å; V18-T20 PolarHBondContact O-N 3.19Å; V18-T20 PolarHBondContact O-OG1 2.91Å
21T52.6Low60.6Low121 Ų121115.9 Ų115.974%0.74264%0.64SS**THydrogen-bonded Turntrans-108.6-7.5-170550000115.3D19D19-T21 PolarHBondContact O-N 3.11Å; D19-T21 VanDerWaalsContact O-N 3.16Å
22A52.6Low62.9Low70 Ų70112.8 Ų112.858%0.57963%0.626SS**SBendtrans-106.6-14.6178.900000118.4
23P56.6Low65.4Low60 Ų60110 Ų11039%0.3961%0.614SS.*Hα-helixtrans-85.5-8.8-175.332-32.9000114.6S26P23-S26 PolarHBondContact O-OG 3.2Å; P23-S26 VanDerWaalsContact O-OG 3.14Å
24T59.5Low67.9Low87 Ų87106 Ų10653%0.53459%0.593SS.*Hα-helixtrans-77.7-36.2-175.757.70000112.1S28T24-S28 WeakPolarHBondContact O-CB 3.33Å; T24-S28 PolarHBondContact O-N 2.88Å; T24-S28 PolarHBondContact O-OG 3.38Å
25N68.9Low70.2Confident124 Ų124102.3 Ų102.366%0.66358%0.578SS**Hα-helixtrans-69.3-40.6-178.9-165.75.3000111.5S28 S29N25-S28 PolarHBondContact O-N 3.37Å; N25-S29 WeakPolarHBondContact O-CB 3.36Å; N25-S29 PolarHBondContact O-N 2.96Å
26S80.5Confident72.5Confident74 Ų74103.6 Ų103.652%0.51758%0.576SS.*Hα-helixtrans-64.9-44.7177.962.30000112.2P23 S29 E30P23-S26 PolarHBondContact O-OG 3.2Å; P23-S26 VanDerWaalsContact O-OG 3.14Å; S26-S29 PolarHBondContact O-N 3.22Å; S26-E30 WeakPolarHBondContact O-CB 3.41Å; S26-E30 PolarHBondContact O-N 3Å
27R79.5Confident75.1Confident189 Ų189102.3 Ų102.371%0.71356%0.563SS**Hα-helixtrans-64.3-41.5176.5-72.2-176.9173.6-173.7-0.4112.8E30 S31R27-E30 PolarHBondContact O-N 3.24Å; R27-S31 WeakPolarHBondContact O-CB 3.47Å; R27-S31 PolarHBondContact O-N 3.32Å; R27-S31 PolarHBondContact O-OG 3.39Å
28S83.7Confident77.6Confident76 Ų76102 Ų10253%0.53155%0.553SS.*Hα-helixtrans-67-42.7178-57.50000111.4T24 N25 S31 A32T24-S28 WeakPolarHBondContact O-CB 3.33Å; T24-S28 PolarHBondContact O-N 2.88Å; T24-S28 PolarHBondContact O-OG 3.38Å; N25-S28 PolarHBondContact O-N 3.37Å; S28-S31 PolarHBondContact O-N 3.43Å; S28-A32 WeakPolarHBondContact O-CB 3.31Å; S28-A32 PolarHBondContact O-N 2.99Å
29S89.4Confident80.1Confident52 Ų52103.1 Ų103.136%0.36455%0.547SS..Hα-helixtrans-59.8-46.8174.1-178.50000111.6N25 S26 A32 K33N25-S29 WeakPolarHBondContact O-CB 3.36Å; N25-S29 PolarHBondContact O-N 2.96Å; S26-S29 PolarHBondContact O-N 3.22Å; S29-A32 WeakPolarHBondContact O-CB 3.42Å; S29-A32 PolarHBondContact O-N 2.92Å; S29-K33 WeakPolarHBondContact O-CG 3.39Å; S29-K33 PolarHBondContact O-N 3.02Å
30E91.9Very high82.7Confident106 Ų106100.4 Ų100.450%0.49554%0.541SS..Hα-helixtrans-66.6-40.5179.7-159.255.8-143.300112S26 R27 A32 K33 D34S26-E30 WeakPolarHBondContact O-CB 3.41Å; S26-E30 PolarHBondContact O-N 3Å; R27-E30 PolarHBondContact O-N 3.24Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 3.43Å; E30-K33 PolarHBondContact O-N 3.14Å; E30-K33 IonicContact OE2-NZ 3.03Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; E30-D34 VanDerWaalsContact O-CB 3.28Å; E30-D34 WeakPolarHBondContact O-CB 3.46Å; E30-D34 PolarHBondContact O-N 3.11Å
31S93.3Very high84.8Confident73 Ų73100 Ų10051%0.5153%0.534SS..Hα-helixtrans-60.8-39173.5-570000112.1R27 S28 C35R27-S31 WeakPolarHBondContact O-CB 3.47Å; R27-S31 PolarHBondContact O-N 3.32Å; R27-S31 PolarHBondContact O-OG 3.39Å; S28-S31 PolarHBondContact O-N 3.43Å; S31-C35 WeakPolarHBondContact O-CB 3.48Å; S31-C35 PolarHBondContact O-N 3.21Å
32A94.2Very high87Confident46 Ų46102.9 Ų102.938%0.3853%0.531SS..Hα-helixtrans-68-41.3176.200000112.2S28 S29 E30 C35 R36S28-A32 WeakPolarHBondContact O-CB 3.31Å; S28-A32 PolarHBondContact O-N 2.99Å; S29-A32 WeakPolarHBondContact O-CB 3.42Å; S29-A32 PolarHBondContact O-N 2.92Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 3.43Å; A32-C35 PolarHBondContact O-N 2.94Å; A32-R36 VanDerWaalsContact O-CG 3.32Å; A32-R36 WeakPolarHBondContact O-CG 3.27Å; A32-R36 PolarHBondContact O-N 2.96Å; A32-R36 VanDerWaalsContact O-N 3.07Å
33K96.1Very high89.2Confident115 Ų115104.3 Ų104.350%0.553%0.528SS..Hα-helixtrans-62.5-46.2174.1-70.7177-163.51630111.5S29 E30 C35 R36 K37S29-K33 WeakPolarHBondContact O-CG 3.39Å; S29-K33 PolarHBondContact O-N 3.02Å; E30-K33 PolarHBondContact O-N 3.14Å; E30-K33 IonicContact OE2-NZ 3.03Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; K33-C35 VanDerWaalsContact C-N 3.35Å; K33-C35 PolarHBondContact O-N 3.25Å; K33-R36 WeakPolarHBondContact O-CB 3.46Å; K33-R36 PolarHBondContact O-N 3.15Å; K33-R36 VanDerWaalsContact O-N 3.15Å; K33-K37 WeakPolarHBondContact O-CB 3.49Å; K33-K37 PolarHBondContact O-N 3.17Å
34D96.5Very high91.2Very high66 Ų66107.7 Ų107.735%0.35354%0.539SS..Hα-helixtrans-62.4-40.9178.7173.652.6000111.6E30 R36 K37 R38E30-D34 VanDerWaalsContact O-CB 3.28Å; E30-D34 WeakPolarHBondContact O-CB 3.46Å; E30-D34 PolarHBondContact O-N 3.11Å; D34-R36 PolarHBondContact O-N 3.24Å; D34-K37 PolarHBondContact O-N 3.24Å; D34-R38 VanDerWaalsContact CG-NH1 3.29Å; D34-R38 PolarHBondContact O-N 3.07Å; D34-R38 IonicContact OD1-CZ 3.6Å; D34-R38 IonicContact OD1-NH1 3.41Å; D34-R38 PolarHBondContact OD1-NH1 3.4Å; D34-R38 IonicContact OD2-CZ 3.86Å; D34-R38 IonicContact OD2-NH1 2.78Å; D34-R38 PolarHBondContact OD2-NH1 3.3Å; D34-R38 IonicContact OD2-NH2 3.61Å; D34-R38 PolarHBondContact OD2-NH2 3.16Å
35C97.2Very high93Very high72 Ų72111.4 Ų111.449%0.48654%0.544SS..Hα-helixtrans-57-47.5170.1-1780000112.5S31 A32 K33 R38 K39S31-C35 WeakPolarHBondContact O-CB 3.48Å; S31-C35 PolarHBondContact O-N 3.21Å; A32-C35 PolarHBondContact O-N 2.94Å; K33-C35 VanDerWaalsContact C-N 3.35Å; K33-C35 PolarHBondContact O-N 3.25Å; C35-R38 PolarHBondContact O-N 2.98Å; C35-K39 PolarHBondContact O-N 3.23Å
36R97.6Very high94.4Very high193 Ų193109.6 Ų109.673%0.72853%0.534SS*.Hα-helixtrans-63.3-43.5177.1-68.4171-174.8-148.32.3111.8A32 K33 D34 R38 K39 A40A32-R36 VanDerWaalsContact O-CG 3.32Å; A32-R36 WeakPolarHBondContact O-CG 3.27Å; A32-R36 PolarHBondContact O-N 2.96Å; A32-R36 VanDerWaalsContact O-N 3.07Å; K33-R36 WeakPolarHBondContact O-CB 3.46Å; K33-R36 PolarHBondContact O-N 3.15Å; K33-R36 VanDerWaalsContact O-N 3.15Å; D34-R36 PolarHBondContact O-N 3.24Å; R36-R38 PolarHBondContact O-N 3.32Å; R36-K39 PolarHBondContact O-N 3.31Å; R36-A40 PolarHBondContact O-N 3.22Å
37K97.8Very high95.3Very high141 Ų141109 Ų10961%0.61353%0.533SS*.Hα-helixtrans-60.3-45.4177.6-173.7179179.7-178.90111.2K33 D34 K39 A40 L41K33-K37 WeakPolarHBondContact O-CB 3.49Å; K33-K37 PolarHBondContact O-N 3.17Å; D34-K37 PolarHBondContact O-N 3.24Å; K37-K39 PolarHBondContact O-N 3.49Å; K37-A40 PolarHBondContact O-N 3.32Å; K37-L41 HydrophobicContact CG-CD1 4.31Å; K37-L41 WeakPolarHBondContact O-CG 3.43Å; K37-L41 PolarHBondContact O-N 3.18Å
38R98.1Very high96.2Very high136 Ų136103.7 Ų103.751%0.51352%0.517SS..Hα-helixtrans-59.5-45173.9-80-166.3-71.6-92.1-11.9112.6D34 C35 R36 A40 L41 R42D34-R38 VanDerWaalsContact CG-NH1 3.29Å; D34-R38 PolarHBondContact O-N 3.07Å; D34-R38 IonicContact OD1-CZ 3.6Å; D34-R38 IonicContact OD1-NH1 3.41Å; D34-R38 PolarHBondContact OD1-NH1 3.4Å; D34-R38 IonicContact OD2-CZ 3.86Å; D34-R38 IonicContact OD2-NH1 2.78Å; D34-R38 PolarHBondContact OD2-NH1 3.3Å; D34-R38 IonicContact OD2-NH2 3.61Å; D34-R38 PolarHBondContact OD2-NH2 3.16Å; C35-R38 PolarHBondContact O-N 2.98Å; R36-R38 PolarHBondContact O-N 3.32Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 3.48Å; R38-L41 PolarHBondContact O-N 2.88Å; R38-R42 WeakPolarHBondContact O-CB 3.42Å; R38-R42 PolarHBondContact O-N 3.21Å
39K98.3Very high96.9Very high148 Ų148101.2 Ų101.264%0.64350%0.499SS*.Hα-helixtrans-60.8-44177.2-175.3177178.5-179.60111.2C35 R36 K37 R42 I43C35-K39 PolarHBondContact O-N 3.23Å; R36-K39 PolarHBondContact O-N 3.31Å; K37-K39 PolarHBondContact O-N 3.49Å; K39-R42 PolarHBondContact O-N 2.89Å; K39-I43 HydrophobicContact CG-CD1 4.03Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.5Å; K39-I43 PolarHBondContact O-N 3.06Å
40A98.2Very high97.4Very high56 Ų56102.1 Ų102.146%0.46350%0.503SS..Hα-helixtrans-62.5-48177.200000112.1R36 K37 R38 R42 I43 Q44R36-A40 PolarHBondContact O-N 3.22Å; K37-A40 PolarHBondContact O-N 3.32Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 3.48Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.41Å; A40-I43 PolarHBondContact O-N 2.99Å; A40-Q44 WeakPolarHBondContact O-CB 3.26Å; A40-Q44 PolarHBondContact O-N 2.73Å
41L98.3Very high97.7Very high95 Ų95102.2 Ų102.250%0.49750%0.499SS..Hα-helixtrans-59.7-41.3176.6-74.3171.9000112.2K37 R38 Q44 Y45K37-L41 HydrophobicContact CG-CD1 4.31Å; K37-L41 WeakPolarHBondContact O-CG 3.43Å; K37-L41 PolarHBondContact O-N 3.18Å; R38-L41 PolarHBondContact O-N 2.88Å; L41-Q44 PolarHBondContact O-N 2.93Å; L41-Y45 WeakPolarHBondContact O-CB 3.48Å; L41-Y45 PolarHBondContact O-N 3.47Å
42R98.6Very high97.9Very high181 Ų181102.8 Ų102.868%0.68350%0.495SS*.Hα-helixtrans-62.1-44.8176.4-176.5176.3-178.1-120.70.9111.7R38 K39 A40 Y45 L46R38-R42 WeakPolarHBondContact O-CB 3.42Å; R38-R42 PolarHBondContact O-N 3.21Å; K39-R42 PolarHBondContact O-N 2.89Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.41Å; R42-Y45 PolarHBondContact O-N 3.23Å; R42-L46 HydrophobicContact CG-CD1 4.28Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.37Å
43I98.6Very high98.2Very high100 Ų100108 Ų10851%0.51351%0.505SS..Hα-helixtrans-62.8-45.1177.4-68.8165.3000110.1K39 A40 Y45 L46 A47K39-I43 HydrophobicContact CG-CD1 4.03Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.5Å; K39-I43 PolarHBondContact O-N 3.06Å; A40-I43 PolarHBondContact O-N 2.99Å; I43-Y45 PolarHBondContact O-N 2.88Å; I43-L46 PolarHBondContact O-N 3.47Å; I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 3.4Å
44Q98.5Very high98.3Very high131 Ų131108 Ų10861%0.61251%0.507SS*.Hα-helixtrans-59.7-45.4177.7-175.9-178.5-400112A40 L41 L46 A47 E48A40-Q44 WeakPolarHBondContact O-CB 3.26Å; A40-Q44 PolarHBondContact O-N 2.73Å; L41-Q44 PolarHBondContact O-N 2.93Å; Q44-L46 PolarHBondContact O-N 3.09Å; Q44-A47 PolarHBondContact O-N 2.88Å; Q44-E48 WeakPolarHBondContact O-CB 3.38Å; Q44-E48 PolarHBondContact O-N 3.42Å
45Y98.7Very high98.4Very high165 Ų165108.9 Ų108.965%0.64751%0.511SS*.Hα-helixtrans-61.2-44.3176.9174.7-96.8000112.2L41 R42 I43 E48 S49L41-Y45 WeakPolarHBondContact O-CB 3.48Å; L41-Y45 PolarHBondContact O-N 3.47Å; R42-Y45 PolarHBondContact O-N 3.23Å; I43-Y45 PolarHBondContact O-N 2.88Å; Y45-E48 PolarHBondContact O-N 3.19Å; Y45-S49 VanDerWaalsContact O-CB 3.32Å; Y45-S49 WeakPolarHBondContact O-CB 3.31Å; Y45-S49 PolarHBondContact O-N 2.97Å
46L98.7Very high98.5Very high87 Ų87109.3 Ų109.346%0.45551%0.512SS..Hα-helixtrans-64.1-42.4177.5-70.8172.4000111.5R42 I43 Q44 S49 V50R42-L46 HydrophobicContact CG-CD1 4.28Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.37Å; I43-L46 PolarHBondContact O-N 3.47Å; Q44-L46 PolarHBondContact O-N 3.09Å; L46-S49 WeakPolarHBondContact O-CB 3.48Å; L46-S49 PolarHBondContact O-N 3.18Å; L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 3.45Å
47A98.6Very high98.5Very high60 Ų60104.6 Ų104.650%0.49650%0.504SS..Hα-helixtrans-61-45.5176.300000111.7I43 Q44 S49 V50 R51I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 3.4Å; Q44-A47 PolarHBondContact O-N 2.88Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 3.19Å; A47-V50 PolarHBondContact O-N 2.91Å; A47-R51 WeakPolarHBondContact O-CB 3.39Å; A47-R51 PolarHBondContact O-N 2.92Å
48E98.6Very high98.5Very high79 Ų79101.5 Ų101.537%0.36949%0.494SS..Hα-helixtrans-63.5-40.6176.3-179.456.8-160.700111.8Q44 Y45 V50 R51 L52Q44-E48 WeakPolarHBondContact O-CB 3.38Å; Q44-E48 PolarHBondContact O-N 3.42Å; Y45-E48 PolarHBondContact O-N 3.19Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V50 PolarHBondContact O-N 3.09Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 IonicContact OE1-CZ 2.88Å; E48-R51 IonicContact OE1-NE 3.41Å; E48-R51 PolarHBondContact OE1-NE 2.87Å; E48-R51 IonicContact OE1-NH2 2.57Å; E48-R51 PolarHBondContact OE1-NH2 3.43Å; E48-R51 IonicContact OE2-CZ 3.34Å; E48-R51 IonicContact OE2-NE 3.97Å; E48-R51 PolarHBondContact OE2-NE 3.31Å; E48-R51 IonicContact OE2-NH2 3.04Å; E48-L52 HydrophobicContact CG-CD1 4.21Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.3Å; E48-L52 WeakPolarHBondContact OE1-CG 3.47Å
49S98.5Very high98.5Very high23 Ų23100.8 Ų100.816%0.16149%0.494CS..Hα-helixtrans-62.5-39.4176.6-170.70000112.4Y45 L46 A47 R53Y45-S49 VanDerWaalsContact O-CB 3.32Å; Y45-S49 WeakPolarHBondContact O-CB 3.31Å; Y45-S49 PolarHBondContact O-N 2.97Å; L46-S49 WeakPolarHBondContact O-CB 3.48Å; L46-S49 PolarHBondContact O-N 3.18Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 3.19Å; S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 3.46Å; S49-R53 PolarHBondContact O-NH1 2.92Å; S49-R53 PolarHBondContact OG-NH1 3.02Å; S49-R53 PolarHBondContact OG-NH2 2.79Å
50V98.7Very high98.5Very high72 Ų7299 Ų9944%0.43649%0.489SS..Hα-helixtrans-66.7-49.1174171.60000110.4L46 A47 E48 L52 R53 E54L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 3.45Å; A47-V50 PolarHBondContact O-N 2.91Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V50 PolarHBondContact O-N 3.09Å; V50-L52 VanDerWaalsContact C-N 3.31Å; V50-L52 PolarHBondContact O-N 3.29Å; V50-R53 WeakPolarHBondContact O-CB 3.34Å; V50-R53 PolarHBondContact O-N 3.45Å; V50-R53 VanDerWaalsContact O-N 3.09Å; V50-E54 HydrophobicContact CG1-CG 4.36Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.46Å; V50-E54 WeakPolarHBondContact O-CG 3.42Å; V50-E54 PolarHBondContact O-N 3.25Å
51R98.6Very high98.5Very high108 Ų108102.5 Ų102.541%0.40849%0.494SS..Hα-helixtrans-54.5-45.1178.3-170.5-16674.8804112.4A47 E48 E54 L55A47-R51 WeakPolarHBondContact O-CB 3.39Å; A47-R51 PolarHBondContact O-N 2.92Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 IonicContact OE1-CZ 2.88Å; E48-R51 IonicContact OE1-NE 3.41Å; E48-R51 PolarHBondContact OE1-NE 2.87Å; E48-R51 IonicContact OE1-NH2 2.57Å; E48-R51 PolarHBondContact OE1-NH2 3.43Å; E48-R51 IonicContact OE2-CZ 3.34Å; E48-R51 IonicContact OE2-NE 3.97Å; E48-R51 PolarHBondContact OE2-NE 3.31Å; E48-R51 IonicContact OE2-NH2 3.04Å; R51-E54 PolarHBondContact O-N 2.96Å; R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-L55 PolarHBondContact O-N 3.44Å
52L98.7Very high98.4Very high85 Ų85105.5 Ų105.545%0.44550%0.499SS..Hα-helixtrans-63.7-42.4178.3-73.1172.3000111.9E48 V50 L55 T56E48-L52 HydrophobicContact CG-CD1 4.21Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.3Å; E48-L52 WeakPolarHBondContact OE1-CG 3.47Å; V50-L52 VanDerWaalsContact C-N 3.31Å; V50-L52 PolarHBondContact O-N 3.29Å; L52-L55 PolarHBondContact O-N 3.4Å; L52-T56 PolarHBondContact O-N 3.26Å; L52-T56 PolarHBondContact O-OG1 2.9Å; L52-T56 VanDerWaalsContact O-OG1 3.09Å
53R98.7Very high98.3Very high155 Ų15599.3 Ų99.359%0.58548%0.479SS*.Hα-helixtrans-62.1-44.4175.8-72.4-177.2-170.795.51.7111.7S49 V50 L55 T56 V57S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 3.46Å; S49-R53 PolarHBondContact O-NH1 2.92Å; S49-R53 PolarHBondContact OG-NH1 3.02Å; S49-R53 PolarHBondContact OG-NH2 2.79Å; V50-R53 WeakPolarHBondContact O-CB 3.34Å; V50-R53 PolarHBondContact O-N 3.45Å; V50-R53 VanDerWaalsContact O-N 3.09Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.09Å; R53-T56 WeakPolarHBondContact O-CB 3.45Å; R53-T56 PolarHBondContact O-N 2.96Å; R53-V57 WeakPolarHBondContact O-CG2 3.49Å; R53-V57 PolarHBondContact O-N 3.35Å
54E98.7Very high98.2Very high114 Ų11498.9 Ų98.953%0.53348%0.477SS..Hα-helixtrans-59.4-44.6177-70.1172168.500111.5V50 R51 T56 V57 I58V50-E54 HydrophobicContact CG1-CG 4.36Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.46Å; V50-E54 WeakPolarHBondContact O-CG 3.42Å; V50-E54 PolarHBondContact O-N 3.25Å; R51-E54 PolarHBondContact O-N 2.96Å; E54-T56 PolarHBondContact O-N 3.3Å; E54-V57 PolarHBondContact O-N 3.47Å; E54-I58 VanDerWaalsContact O-CG1 3.29Å; E54-I58 WeakPolarHBondContact O-CG1 3.32Å; E54-I58 PolarHBondContact O-N 3.31Å
55L98.7Very high98.2Very high86 Ų8696 Ų9645%0.4547%0.466SS..Hα-helixtrans-62.1-40.7174.9-73.2-179.6000112.8R51 L52 R53 I58 K59R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-L55 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.4Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.09Å; L55-I58 PolarHBondContact O-N 2.93Å; L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 PolarHBondContact O-N 2.96Å
56T98.6Very high97.9Very high81 Ų8191.4 Ų91.450%0.49745%0.449SS..Hα-helixtrans-61.1-45.9174.3-60.80000111.1L52 R53 E54 I58 K59 M60L52-T56 PolarHBondContact O-N 3.26Å; L52-T56 PolarHBondContact O-OG1 2.9Å; L52-T56 VanDerWaalsContact O-OG1 3.09Å; R53-T56 WeakPolarHBondContact O-CB 3.45Å; R53-T56 PolarHBondContact O-N 2.96Å; E54-T56 PolarHBondContact O-N 3.3Å; T56-I58 PolarHBondContact O-N 3.38Å; T56-K59 PolarHBondContact O-N 3.3Å; T56-M60 HydrophobicContact CG2-CG 4.4Å; T56-M60 HydrophobicContact CG2-SD 4.01Å; T56-M60 VanDerWaalsContact O-CG 3.31Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 3.4Å
57V98.6Very high97.8Very high94 Ų9491.1 Ų91.157%0.5745%0.448SS*.Hα-helixtrans-60.7-45177.3170.60000111.1R53 E54 K59 M60 K61R53-V57 WeakPolarHBondContact O-CG2 3.49Å; R53-V57 PolarHBondContact O-N 3.35Å; E54-V57 PolarHBondContact O-N 3.47Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 2.91Å; V57-M60 PolarHBondContact O-N 2.68Å; V57-K61 WeakPolarHBondContact O-CB 3.42Å; V57-K61 PolarHBondContact O-N 3.34Å
58I98.5Very high97.7Very high76 Ų7692.8 Ų92.839%0.3945%0.448SS..Hα-helixtrans-61.1-43.4176.8-69.3166000110.9E54 L55 T56 K61 R62E54-I58 VanDerWaalsContact O-CG1 3.29Å; E54-I58 WeakPolarHBondContact O-CG1 3.32Å; E54-I58 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 2.93Å; T56-I58 PolarHBondContact O-N 3.38Å; I58-K61 PolarHBondContact O-N 3.29Å; I58-R62 VanDerWaalsContact CG2-CZ 3.49Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 2.94Å; I58-R62 VanDerWaalsContact O-N 3.09Å
59K97.7Very high97.5Very high120 Ų12093 Ų9352%0.52245%0.449SS..Hα-helixtrans-60.8-49.3175.8-177.8-174.9178.9-64.20111.1L55 T56 V57 K61 R62 D63L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 PolarHBondContact O-N 2.96Å; T56-K59 PolarHBondContact O-N 3.3Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 2.91Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 3.4Å; K59-R62 PolarHBondContact O-N 3.39Å; K59-D63 IonicContact NZ-OD2 2.73Å; K59-D63 PolarHBondContact NZ-OD2 2.78Å; K59-D63 PolarHBondContact O-N 3.05Å
60M97.9Very high97.3Very high111 Ų11192.3 Ų92.355%0.54744%0.444SS..Hα-helixtrans-59.4-42179-71.2175.571.300111.6T56 V57 R62 D63 I64T56-M60 HydrophobicContact CG2-CG 4.4Å; T56-M60 HydrophobicContact CG2-SD 4.01Å; T56-M60 VanDerWaalsContact O-CG 3.31Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 3.4Å; V57-M60 PolarHBondContact O-N 2.68Å; M60-R62 PolarHBondContact O-N 3.28Å; M60-D63 PolarHBondContact O-N 3.5Å; M60-I64 WeakPolarHBondContact O-CG1 3.33Å; M60-I64 PolarHBondContact O-N 2.91Å
61K98.2Very high97.1Very high130 Ų13092 Ų9257%0.56544%0.444SS*.Hα-helixtrans-58.1-48.1175.2-178177.3168.755.70111.5V57 I58 K59 D63 I64 D65V57-K61 WeakPolarHBondContact O-CB 3.42Å; V57-K61 PolarHBondContact O-N 3.34Å; I58-K61 PolarHBondContact O-N 3.29Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 3.4Å; K61-D63 VanDerWaalsContact C-N 3.28Å; K61-D63 PolarHBondContact O-N 3.46Å; K61-I64 PolarHBondContact O-N 3.35Å; K61-D65 IonicContact NZ-OD1 2.93Å; K61-D65 PolarHBondContact O-N 2.91Å
62R97Very high97Very high158 Ų15892.6 Ų92.660%0.59645%0.451SS*.Hα-helixtrans-61.2-37.6176.8-68.4175.8-169.4148.61.1112.4I58 K59 M60 D65 K66I58-R62 VanDerWaalsContact CG2-CZ 3.49Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 2.94Å; I58-R62 VanDerWaalsContact O-N 3.09Å; K59-R62 PolarHBondContact O-N 3.39Å; M60-R62 PolarHBondContact O-N 3.28Å; R62-D65 PolarHBondContact O-N 2.94Å; R62-K66 WeakPolarHBondContact O-CG 3.39Å; R62-K66 PolarHBondContact O-N 3.34Å
63D96.1Very high96.8Very high50 Ų5092.5 Ų92.527%0.26745%0.445SS..Hα-helixtrans-69.3-37.9178.3-67.2-23.2000111K59 M60 K61 K66 L67K59-D63 IonicContact NZ-OD2 2.73Å; K59-D63 PolarHBondContact NZ-OD2 2.78Å; K59-D63 PolarHBondContact O-N 3.05Å; M60-D63 PolarHBondContact O-N 3.5Å; K61-D63 VanDerWaalsContact C-N 3.28Å; K61-D63 PolarHBondContact O-N 3.46Å; D63-K66 PolarHBondContact O-N 2.88Å; D63-K66 IonicContact OD1-NZ 2.68Å; D63-K66 PolarHBondContact OD1-NZ 3.44Å; D63-L67 WeakPolarHBondContact O-CG 3.46Å; D63-L67 PolarHBondContact O-N 3.41Å
64I97Very high96.6Very high92 Ų9289 Ų8947%0.47244%0.437SS..Hα-helixtrans-63.7-44.7171.1-68.9166.8000111.1M60 K61 K66 L67 L68M60-I64 WeakPolarHBondContact O-CG1 3.33Å; M60-I64 PolarHBondContact O-N 2.91Å; K61-I64 PolarHBondContact O-N 3.35Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 2.57Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 2.9Å; I64-L68 HydrophobicContact CG2-CD1 3.99Å; I64-L68 HydrophobicContact CG2-CG 4.2Å; I64-L68 WeakPolarHBondContact O-CG 3.41Å; I64-L68 PolarHBondContact O-N 2.91Å
65D96.9Very high96.5Very high71 Ų7190.2 Ų90.238%0.3845%0.448SS..Hα-helixtrans-59.2-39-179.4-65.5-27000111.1K61 R62 L68 E69K61-D65 IonicContact NZ-OD1 2.93Å; K61-D65 PolarHBondContact O-N 2.91Å; R62-D65 PolarHBondContact O-N 2.94Å; D65-L68 PolarHBondContact O-N 3.42Å; D65-E69 PolarHBondContact O-N 3.3Å
66K94.1Very high96.3Very high67 Ų6793.3 Ų93.329%0.29146%0.46SS..Hα-helixtrans-64.6-39.9173.3-64.6166.6-166.8164.10112.9R62 D63 I64 L68 E69 L70R62-K66 WeakPolarHBondContact O-CG 3.39Å; R62-K66 PolarHBondContact O-N 3.34Å; D63-K66 PolarHBondContact O-N 2.88Å; D63-K66 IonicContact OD1-NZ 2.68Å; D63-K66 PolarHBondContact OD1-NZ 3.44Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 2.57Å; K66-L68 VanDerWaalsContact C-N 3.35Å; K66-E69 WeakPolarHBondContact O-CB 3.3Å; K66-E69 PolarHBondContact O-N 3.41Å; K66-L70 PolarHBondContact O-N 2.93Å
67L95.2Very high96.2Very high81 Ų8192.8 Ų92.842%0.42447%0.471SS..Hα-helixtrans-67.5-38.5177.6-70.9171.9000111.1D63 I64 L70 C71 C87 I89D63-L67 WeakPolarHBondContact O-CG 3.46Å; D63-L67 PolarHBondContact O-N 3.41Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 2.9Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 3.48Å; L67-C71 PolarHBondContact O-N 3.04Å; L67-C71 PolarHBondContact O-SG 3.2Å; L67-C87 HydrophobicContact CD2-CB 4.17Å; L67-I89 HydrophobicContact CD2-CD1 4.44Å
68L96.3Very high95.9Very high96 Ų9692.4 Ų92.450%0.50347%0.465SS..Hα-helixtrans-63.6-42.8174-70.3174.4000111.5I64 D65 K66 L70 C71 Q72I64-L68 HydrophobicContact CG2-CD1 3.99Å; I64-L68 HydrophobicContact CG2-CG 4.2Å; I64-L68 WeakPolarHBondContact O-CG 3.41Å; I64-L68 PolarHBondContact O-N 2.91Å; D65-L68 PolarHBondContact O-N 3.42Å; K66-L68 VanDerWaalsContact C-N 3.35Å; L68-L70 VanDerWaalsContact C-N 3.32Å; L68-L70 PolarHBondContact O-N 3.5Å; L68-C71 PolarHBondContact O-N 3.45Å; L68-Q72 WeakPolarHBondContact O-CG 3.44Å; L68-Q72 PolarHBondContact O-N 2.77Å; L68-Q72 VanDerWaalsContact O-N 3.11Å
69E94.7Very high95.6Very high82 Ų8292.5 Ų92.538%0.38347%0.47SS..Hα-helixtrans-57.7-45.6172.1-174.9-177.2-176.800110.7D65 K66 C71 Q72 Y73 L83D65-E69 PolarHBondContact O-N 3.3Å; K66-E69 WeakPolarHBondContact O-CB 3.3Å; K66-E69 PolarHBondContact O-N 3.41Å; E69-C71 PolarHBondContact O-N 3.22Å; E69-Q72 WeakPolarHBondContact O-CB 3.28Å; E69-Q72 PolarHBondContact O-N 2.95Å; E69-Q72 VanDerWaalsContact O-N 3.14Å; E69-Y73 HydrophobicContact CG-CD2 4.26Å; E69-Y73 HydrophobicContact CG-CE2 3.91Å; E69-Y73 VanDerWaalsContact O-CD2 3.27Å; E69-Y73 WeakPolarHBondContact O-CD2 3.38Å; E69-Y73 PolarHBondContact O-N 3.07Å; E69-L83 HydrophobicContact CB-CD2 4.33Å; E69-L83 HydrophobicContact CG-CD2 3.93Å
70L94.4Very high95.2Very high10 Ų1087.9 Ų87.95%0.05245%0.452CS..Hα-helixtrans-61.1-42.6177.3179.265.3000112.5K66 L67 L68 Q72 Y73 I74 P80 L83 L84 I89K66-L70 PolarHBondContact O-N 2.93Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 3.48Å; L68-L70 VanDerWaalsContact C-N 3.32Å; L68-L70 PolarHBondContact O-N 3.5Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.22Å; L70-Y73 PolarHBondContact O-N 2.92Å; L70-I74 HydrophobicContact CD1-CD1 4.26Å; L70-I74 HydrophobicContact CD1-CG1 4.48Å; L70-I74 HydrophobicContact CD2-CD1 4.5Å; L70-I74 HydrophobicContact CG-CD1 3.89Å; L70-I74 WeakPolarHBondContact O-CG1 3.42Å; L70-I74 PolarHBondContact O-N 3.29Å; L70-P80 HydrophobicContact CD1-CG 4.47Å; L70-L83 VanDerWaalsContact CA-CD2 3.47Å; L70-L83 HydrophobicContact CB-CD2 3.75Å; L70-L83 HydrophobicContact CB-CG 4.11Å; L70-L83 HydrophobicContact CD1-CB 4.29Å; L70-L83 HydrophobicContact CD1-CD2 4Å; L70-L83 HydrophobicContact CD1-CG 4.18Å; L70-L84 HydrophobicContact CD1-CD2 3.91Å; L70-L84 HydrophobicContact CD1-CG 4.32Å; L70-L84 HydrophobicContact CD2-CD2 3.64Å; L70-L84 HydrophobicContact CG-CD2 4.41Å; L70-I89 HydrophobicContact CD2-CD1 3.96Å
71C95.1Very high94.9Very high66 Ų6686.9 Ų86.945%0.44645%0.451SS..Hα-helixtrans-59.2-40.3174.8-69.30000112L67 L68 E69 Y73 I74 D75L67-C71 PolarHBondContact O-N 3.04Å; L67-C71 PolarHBondContact O-SG 3.2Å; L68-C71 PolarHBondContact O-N 3.45Å; E69-C71 PolarHBondContact O-N 3.22Å; C71-Y73 VanDerWaalsContact C-N 3.32Å; C71-Y73 PolarHBondContact O-N 3.49Å; C71-I74 PolarHBondContact O-N 3.04Å; C71-D75 WeakPolarHBondContact O-CB 3.35Å; C71-D75 VanDerWaalsContact O-CG 3.23Å; C71-D75 PolarHBondContact O-N 3.46Å
72Q96Very high94.5Very high119 Ų11983.9 Ų83.956%0.55645%0.447SS*.Hα-helixtrans-61.7-38.6177.7-68.9171.71.700112.7L68 E69 L70 Q76L68-Q72 WeakPolarHBondContact O-CG 3.44Å; L68-Q72 PolarHBondContact O-N 2.77Å; L68-Q72 VanDerWaalsContact O-N 3.11Å; E69-Q72 WeakPolarHBondContact O-CB 3.28Å; E69-Q72 PolarHBondContact O-N 2.95Å; E69-Q72 VanDerWaalsContact O-N 3.14Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.22Å; Q72-Q76 VanDerWaalsContact O-CG 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.46Å; Q72-Q76 PolarHBondContact O-N 3.38Å; Q72-Q76 PolarHBondContact O-NE2 2.94Å
73Y95.2Very high94.2Very high83 Ų8376.6 Ų76.633%0.32542%0.42SS..Hα-helixtrans-67.4-44.8174.1-79.2-79.1000111.5E69 L70 C71 D75 Q76 G77 D78 P80 L83E69-Y73 HydrophobicContact CG-CD2 4.26Å; E69-Y73 HydrophobicContact CG-CE2 3.91Å; E69-Y73 VanDerWaalsContact O-CD2 3.27Å; E69-Y73 WeakPolarHBondContact O-CD2 3.38Å; E69-Y73 PolarHBondContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 2.92Å; C71-Y73 VanDerWaalsContact C-N 3.32Å; C71-Y73 PolarHBondContact O-N 3.49Å; Y73-D75 VanDerWaalsContact C-N 3.3Å; Y73-D75 PolarHBondContact O-N 2.95Å; Y73-Q76 CarbonylContact O-C 3.46Å; Y73-Q76 WeakPolarHBondContact O-CA 3.42Å; Y73-Q76 WeakPolarHBondContact O-CB 3.34Å; Y73-Q76 PolarHBondContact O-N 2.88Å; Y73-G77 PolarHBondContact O-N 3.24Å; Y73-D78 CarbonylContact C-O 3.52Å; Y73-D78 HydrophobicContact CD1-CB 4.39Å; Y73-D78 PolarHBondContact O-N 3.15Å; Y73-P80 HydrophobicContact CD1-CG 4.06Å; Y73-P80 HydrophobicContact CD2-CG 3.95Å; Y73-P80 HydrophobicContact CG-CG 3.7Å; Y73-L83 HydrophobicContact CD2-CD2 3.8Å; Y73-L83 HydrophobicContact CE2-CD2 4.14Å
74I94.2Very high94Very high81 Ų8175 Ų7542%0.41541%0.411SS..Hα-helixtrans-60.1-41.9178.9-68.6168.2000111L70 C71 Q76 G77 D78 V79L70-I74 HydrophobicContact CD1-CD1 4.26Å; L70-I74 HydrophobicContact CD1-CG1 4.48Å; L70-I74 HydrophobicContact CD2-CD1 4.5Å; L70-I74 HydrophobicContact CG-CD1 3.89Å; L70-I74 WeakPolarHBondContact O-CG1 3.42Å; L70-I74 PolarHBondContact O-N 3.29Å; C71-I74 PolarHBondContact O-N 3.04Å; I74-Q76 PolarHBondContact O-N 3.48Å; I74-G77 WeakPolarHBondContact O-CA 3.46Å; I74-G77 PolarHBondContact O-N 3.48Å; I74-D78 WeakPolarHBondContact CA-O 3.32Å; I74-D78 PolarHBondContact N-O 2.83Å; I74-V79 HydrophobicContact CG1-CG2 4.36Å
75D96Very high93.8Very high140 Ų14077.3 Ų77.375%0.74942%0.42SS*.Hα-helixtrans-63.3-25.5176.8-70.3-22.6000112.4C71 Y73 G77C71-D75 WeakPolarHBondContact O-CB 3.35Å; C71-D75 VanDerWaalsContact O-CG 3.23Å; C71-D75 PolarHBondContact O-N 3.46Å; Y73-D75 VanDerWaalsContact C-N 3.3Å; Y73-D75 PolarHBondContact O-N 2.95Å; D75-G77 VanDerWaalsContact C-N 3.29Å
76Q95.9Very high93.5Very high151 Ų15180.4 Ų80.471%0.70643%0.43SS*.THydrogen-bonded Turntrans-85.6-0.8173.1-65.4168.725.800112.9Q72 Y73 I74 D78Q72-Q76 VanDerWaalsContact O-CG 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.46Å; Q72-Q76 PolarHBondContact O-N 3.38Å; Q72-Q76 PolarHBondContact O-NE2 2.94Å; Y73-Q76 CarbonylContact O-C 3.46Å; Y73-Q76 WeakPolarHBondContact O-CA 3.42Å; Y73-Q76 WeakPolarHBondContact O-CB 3.34Å; Y73-Q76 PolarHBondContact O-N 2.88Å; I74-Q76 PolarHBondContact O-N 3.48Å; Q76-D78 VanDerWaalsContact C-N 3.34Å
77G94.5Very high93.4Very high70 Ų7079 Ų7972%0.72243%0.428SS*.THydrogen-bonded Turntrans80.411.3-177.200000114.3Y73 I74 D75Y73-G77 PolarHBondContact O-N 3.24Å; I74-G77 WeakPolarHBondContact O-CA 3.46Å; I74-G77 PolarHBondContact O-N 3.48Å; D75-G77 VanDerWaalsContact C-N 3.29Å
78D93.4Very high93.1Very high86 Ų8678.4 Ų78.446%0.4644%0.442SS..  trans-105.8141177.1-168.512.1000110.8Y73 I74 Q76Y73-D78 CarbonylContact C-O 3.52Å; Y73-D78 HydrophobicContact CD1-CB 4.39Å; Y73-D78 PolarHBondContact O-N 3.15Å; I74-D78 WeakPolarHBondContact CA-O 3.32Å; I74-D78 PolarHBondContact N-O 2.83Å; Q76-D78 VanDerWaalsContact C-N 3.34Å
79V91Very high92.7Very high79 Ų7977.2 Ų77.248%0.47944%0.435SS..  trans-127.184.6179.1-173.90000108.6I74 V81 L84I74-V79 HydrophobicContact CG1-CG2 4.36Å; V79-V81 PolarHBondContact O-N 3.42Å; V79-V81 VanDerWaalsContact O-N 3.11Å; V79-L84 HydrophobicContact CG1-CD1 3.7Å; V79-L84 HydrophobicContact CG1-CG 4.4Å
80P90.6Very high92Very high23 Ų2379 Ų7915%0.14946%0.457CS..  trans-69.8110.6-176.924.3-32000111.3L70 Y73 S82 L83 L84L70-P80 HydrophobicContact CD1-CG 4.47Å; Y73-P80 HydrophobicContact CD1-CG 4.06Å; Y73-P80 HydrophobicContact CD2-CG 3.95Å; Y73-P80 HydrophobicContact CG-CG 3.7Å; P80-S82 PolarHBondContact O-N 2.94Å; P80-L83 HydrophobicContact CB-CB 4.18Å; P80-L83 HydrophobicContact CG-CB 3.83Å; P80-L83 HydrophobicContact CG-CD2 4.05Å; P80-L83 WeakPolarHBondContact O-CB 3.5Å; P80-L83 PolarHBondContact O-N 3.03Å; P80-L84 PolarHBondContact O-N 2.79Å
81V91.1Very high90.7Very high89 Ų8986.2 Ų86.254%0.53950%0.501SS..Hα-helixtrans-53.7-40.2178.2-179.50000112V79 L83 L84 E85V79-V81 PolarHBondContact O-N 3.42Å; V79-V81 VanDerWaalsContact O-N 3.11Å; V81-L83 PolarHBondContact O-N 3.14Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.03Å; V81-L84 VanDerWaalsContact O-N 3.16Å; V81-E85 PolarHBondContact O-N 3.45Å
82S90.7Very high90.5Very high67 Ų6787.2 Ų87.247%0.46950%0.504SS..Hα-helixtrans-62.4-28.9178.467.10000113.6P80 K86P80-S82 PolarHBondContact O-N 2.94Å; S82-K86 VanDerWaalsContact O-CG 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.19Å; S82-K86 PolarHBondContact O-N 2.89Å
83L90.1Very high90.2Very high5 Ų585.5 Ų85.53%0.02650%0.501CS..Hα-helixtrans-82.2-33.5177.7-167.558.2000111.3E69 L70 Y73 P80 V81 K86 C87E69-L83 HydrophobicContact CB-CD2 4.33Å; E69-L83 HydrophobicContact CG-CD2 3.93Å; L70-L83 VanDerWaalsContact CA-CD2 3.47Å; L70-L83 HydrophobicContact CB-CD2 3.75Å; L70-L83 HydrophobicContact CB-CG 4.11Å; L70-L83 HydrophobicContact CD1-CB 4.29Å; L70-L83 HydrophobicContact CD1-CD2 4Å; L70-L83 HydrophobicContact CD1-CG 4.18Å; Y73-L83 HydrophobicContact CD2-CD2 3.8Å; Y73-L83 HydrophobicContact CE2-CD2 4.14Å; P80-L83 HydrophobicContact CB-CB 4.18Å; P80-L83 HydrophobicContact CG-CB 3.83Å; P80-L83 HydrophobicContact CG-CD2 4.05Å; P80-L83 WeakPolarHBondContact O-CB 3.5Å; P80-L83 PolarHBondContact O-N 3.03Å; V81-L83 PolarHBondContact O-N 3.14Å; L83-K86 HydrophobicContact CD1-CD 4.16Å; L83-K86 PolarHBondContact O-N 3.45Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-C87 PolarHBondContact O-SG 3Å
84L92.2Very high89.9Confident17 Ų1785.7 Ų85.79%0.08951%0.511CS..Hα-helixtrans-59.6-47.6170.3-66.5175.3000111.1L70 V79 P80 V81 K86 C87 G88 I89 V91L70-L84 HydrophobicContact CD1-CD2 3.91Å; L70-L84 HydrophobicContact CD1-CG 4.32Å; L70-L84 HydrophobicContact CD2-CD2 3.64Å; L70-L84 HydrophobicContact CG-CD2 4.41Å; V79-L84 HydrophobicContact CG1-CD1 3.7Å; V79-L84 HydrophobicContact CG1-CG 4.4Å; P80-L84 PolarHBondContact O-N 2.79Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.03Å; V81-L84 VanDerWaalsContact O-N 3.16Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.93Å; L84-C87 CarbonylContact O-C 3.52Å; L84-C87 WeakPolarHBondContact O-CA 3.46Å; L84-C87 PolarHBondContact O-N 3.16Å; L84-G88 PolarHBondContact O-N 3.5Å; L84-G88 VanDerWaalsContact O-N 3.15Å; L84-I89 CarbonylContact C-O 2.99Å; L84-I89 HydrophobicContact CB-CB 4.27Å; L84-I89 HydrophobicContact CD2-CB 4.21Å; L84-I89 HydrophobicContact CD2-CD1 3.96Å; L84-I89 HydrophobicContact CD2-CG2 4.12Å; L84-I89 PolarHBondContact O-N 3.5Å; L84-V91 HydrophobicContact CB-CG2 4.36Å; L84-V91 HydrophobicContact CD1-CG2 3.43Å; L84-V91 VanDerWaalsContact CD1-CG2 3.43Å; L84-V91 HydrophobicContact CG-CG2 4.48Å
85E91.7Very high89.6Confident141 Ų14185.9 Ų85.966%0.65952%0.516SS*.Hα-helixtrans-58.3-44.3174.9-71.1177.5178.700111.9V81 C87 G88V81-E85 PolarHBondContact O-N 3.45Å; E85-C87 PolarHBondContact O-N 3Å; E85-G88 PolarHBondContact O-N 3.14Å
86K90.7Very high89.2Confident136 Ų13682.6 Ų82.659%0.59150%0.502SS*.Hα-helixtrans-63.1-29.2176.2-75.7170.7-174.7173.30113.5S82 L83 L84 G88S82-K86 VanDerWaalsContact O-CG 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.19Å; S82-K86 PolarHBondContact O-N 2.89Å; L83-K86 HydrophobicContact CD1-CD 4.16Å; L83-K86 PolarHBondContact O-N 3.45Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.93Å; K86-G88 VanDerWaalsContact C-N 3.27Å
87C91.7Very high88.8Confident36 Ų3678 Ų7824%0.24349%0.488CS..THydrogen-bonded Turntrans-82.6-4.2174.5-64.40000112.5L67 L83 L84 E85 I89L67-C87 HydrophobicContact CD2-CB 4.17Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-C87 PolarHBondContact O-SG 3Å; L84-C87 CarbonylContact O-C 3.52Å; L84-C87 WeakPolarHBondContact O-CA 3.46Å; L84-C87 PolarHBondContact O-N 3.16Å; E85-C87 PolarHBondContact O-N 3Å; C87-I89 VanDerWaalsContact C-N 3.25Å; C87-I89 HydrophobicContact CB-CD1 3.79Å; C87-I89 HydrophobicContact CB-CG1 3.95Å
88G89.9Confident88.4Confident70 Ų7078.6 Ų78.672%0.72247%0.471SS*.THydrogen-bonded Turntrans72.419.8-17500000113.2L84 E85 K86L84-G88 PolarHBondContact O-N 3.5Å; L84-G88 VanDerWaalsContact O-N 3.15Å; E85-G88 PolarHBondContact O-N 3.14Å; K86-G88 VanDerWaalsContact C-N 3.27Å
89I88.5Confident88Confident71 Ų7178 Ų7836%0.36447%0.472SS..  trans-90.8105.3176.3-57.2167.8000106.4L67 L70 L84 C87L67-I89 HydrophobicContact CD2-CD1 4.44Å; L70-I89 HydrophobicContact CD2-CD1 3.96Å; L84-I89 CarbonylContact C-O 2.99Å; L84-I89 HydrophobicContact CB-CB 4.27Å; L84-I89 HydrophobicContact CD2-CB 4.21Å; L84-I89 HydrophobicContact CD2-CD1 3.96Å; L84-I89 HydrophobicContact CD2-CG2 4.12Å; L84-I89 PolarHBondContact O-N 3.5Å; C87-I89 VanDerWaalsContact C-N 3.25Å; C87-I89 HydrophobicContact CB-CD1 3.79Å; C87-I89 HydrophobicContact CB-CG1 3.95Å
90S79.7Confident87.7Confident119 Ų11977.9 Ų77.983%0.83247%0.472SS*.  trans-75.3130.3169.1-168.20000108.7
91V66.1Low87.5Confident161 Ų16182.9 Ų82.998%0.97650%0.501SS*.  trans-96.50167.6-170.20000109.3L84L84-V91 HydrophobicContact CB-CG2 4.36Å; L84-V91 HydrophobicContact CD1-CG2 3.43Å; L84-V91 VanDerWaalsContact CD1-CG2 3.43Å; L84-V91 HydrophobicContact CG-CG2 4.48Å

Retrieved 91 of 91 residues in 76.1 ms (Link to these results)