A0A060WIA7_ONCMY Loading...

Si:ch73-238c9.1

AlphaFold DB , UniProt , Accession A0A060WIA7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene c5h19orf25, Length 110 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
1M47.1Very low53.1Low235 Ų235159.6 Ų159.6100%1.15886%0.855SS**  0130.30-71.8173179.400107.7
2N39.3Very low54.5Low167 Ų167165.3 Ų165.389%0.89386%0.855SS**  trans-176.797.4146.7-86.8-14.1000107.3
3I49.2Very low55.8Low161 Ų161162.8 Ų162.883%0.82685%0.851SS**  trans-85.9117.8173.1-62158.9000105.8M5I3-M5 HydrophobicContact CG2-CG 4.12Å
4S44.2Very low57.3Low118 Ų118160.4 Ų160.483%0.82585%0.846SS**  trans-113.9101.2167.3176.40000107.9G6S4-G6 PolarHBondContact O-N 3.36Å
5M49.6Very low58.9Low168 Ų168159 Ų15983%0.82884%0.839SS**PPolyproline II helixtrans-67.4121.8176.1-74.7-131-71.400110.2I3 A7I3-M5 HydrophobicContact CG2-CG 4.12Å; M5-A7 PolarHBondContact O-N 3.13Å
6G48Very low60.3Low72 Ų72156.6 Ų156.674%0.74284%0.835SS**PPolyproline II helixtrans-58.8118.2172.900000111.6S4 K8S4-G6 PolarHBondContact O-N 3.36Å; G6-K8 PolarHBondContact O-N 3.27Å
7A58.3Low61.6Low89 Ų89154.1 Ų154.174%0.73683%0.833SS**PPolyproline II helixtrans-67.9120.7178.800000110.7M5 N9M5-A7 PolarHBondContact O-N 3.13Å; A7-N9 PolarHBondContact O-N 3.31Å; A7-N9 PolarHBondContact O-OD1 2.99Å
8K57Low63Low197 Ų197158.3 Ų158.386%0.85784%0.835SS**PPolyproline II helixtrans-70.6123.5179.4-55.9174-173.4179.50110G6 K10G6-K8 PolarHBondContact O-N 3.27Å; K8-K10 PolarHBondContact O-N 2.99Å
9N61.3Low64.4Low152 Ų152155.8 Ų155.881%0.81383%0.829SS**  trans-68.296.9-174.9-36.33.7000109.6A7 K11A7-N9 PolarHBondContact O-N 3.31Å; A7-N9 PolarHBondContact O-OD1 2.99Å; N9-K11 PolarHBondContact O-N 3.49Å; N9-K11 VanDerWaalsContact O-N 3.12Å
10K64.1Low65.7Low195 Ų195155.6 Ų155.685%0.84883%0.828SS**  trans-72.6101.7169.1-67.5179.2-179.1176.90108K8 R12K8-K10 PolarHBondContact O-N 2.99Å; K10-R12 PolarHBondContact O-N 3.4Å
11K66.2Low67Low202 Ų202153.2 Ų153.288%0.87882%0.821SS**  trans-60.3105.8170.5-66.4-168.9-179.2-177.20107.5N9 V13N9-K11 PolarHBondContact O-N 3.49Å; N9-K11 VanDerWaalsContact O-N 3.12Å; K11-V13 PolarHBondContact O-N 3.43Å; K11-V13 VanDerWaalsContact O-N 3.14Å
12R69.1Low69.3Low227 Ų227146.1 Ų146.186%0.85779%0.793SS**  trans-60116.2173.5-68.417466179.3-0.1106.4K10 V14K10-R12 PolarHBondContact O-N 3.4Å; R12-V14 PolarHBondContact O-N 2.88Å
13V71.9Confident72Confident133 Ų133141.3 Ų141.381%0.80677%0.77SS**  trans-66.3102.7171.3177.20000106K11 L15K11-V13 PolarHBondContact O-N 3.43Å; K11-V13 VanDerWaalsContact O-N 3.14Å; V13-L15 PolarHBondContact O-N 3.39Å
14V77.1Confident74.2Confident129 Ų129138.2 Ų138.278%0.78276%0.758SS**PPolyproline II helixtrans-79.3117176.6-178.70000106.4R12R12-V14 PolarHBondContact O-N 2.88Å
15L81.3Confident76.7Confident140 Ų140138.8 Ų138.873%0.73375%0.747SS**PPolyproline II helixtrans-62.9150.1174.8-68.3174.6000109.8V13V13-L15 PolarHBondContact O-N 3.39Å
16P81.3Confident78.9Confident120 Ų120135.4 Ų135.478%0.77973%0.73SS**PPolyproline II helixtrans-53.4145.7171.1-2131.5000110.7
17S81.9Confident81.1Confident114 Ų114135.7 Ų135.780%0.79771%0.713SS**PPolyproline II helixtrans-61144.8172.648.30000110.3
18R87.6Confident82.8Confident230 Ų230135.8 Ų135.887%0.86870%0.701SS**PPolyproline II helixtrans-59.4136.6173.3-169.9-177.1-178.7-167.4-0.4108.9
19P88.5Confident84.7Confident112 Ų112130.4 Ų130.473%0.72768%0.679SS**PPolyproline II helixtrans-58153.1170-21.532.2000111.2
20D91.4Very high86.2Confident150 Ų150128.5 Ų128.580%0.80267%0.669SS**PPolyproline II helixtrans-63.8148.7171.3-66.8-43.5000110.5
21P93.5Very high87.5Confident107 Ų107122.1 Ų122.170%0.69564%0.643SS**PPolyproline II helixtrans-62.2153.1173.128-34.3000110.7
22P94.3Very high88.8Confident86 Ų86119 Ų11956%0.55864%0.636SS**PPolyproline II helixtrans-63151.4179.327.6-35.2000111.5I27P22-I27 HydrophobicContact CB-CG1 4.27Å; P22-I27 HydrophobicContact CG-CD1 4.28Å; P22-I27 HydrophobicContact CG-CG1 4.25Å
23T95.8Very high89.9Confident66 Ų66116.4 Ų116.441%0.40563%0.626SS.*PPolyproline II helixtrans-80.1164.3172.877.80000111.3E25 Q26 I27T23-E25 VanDerWaalsContact CB-OE2 3.32Å; T23-E25 WeakPolarHBondContact CB-OE2 3.38Å; T23-E25 PolarHBondContact O-N 3.25Å; T23-E25 PolarHBondContact OG1-OE2 3Å; T23-Q26 PolarHBondContact O-N 2.95Å; T23-Q26 PolarHBondContact OG1-N 3.45Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 2.9Å; T23-I27 VanDerWaalsContact O-N 3.16Å
24V95.5Very high90.9Very high96 Ų96111.4 Ų111.458%0.58260%0.599SS**Hα-helixtrans-60-39.2178.1176.80000110.8Q26 I27 L28V24-Q26 VanDerWaalsContact C-N 3.34Å; V24-Q26 PolarHBondContact O-N 3.15Å; V24-I27 PolarHBondContact O-N 3.29Å; V24-L28 HydrophobicContact CG1-CD1 4.03Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3.18Å
25E97Very high91.6Very high129 Ų129112.6 Ų112.660%0.60359%0.594SS**Hα-helixtrans-63.6-41-179.5-62.369.2-149.700111.6T23 L28 E29T23-E25 VanDerWaalsContact CB-OE2 3.32Å; T23-E25 WeakPolarHBondContact CB-OE2 3.38Å; T23-E25 PolarHBondContact O-N 3.25Å; T23-E25 PolarHBondContact OG1-OE2 3Å; E25-L28 PolarHBondContact O-N 3.03Å; E25-E29 WeakPolarHBondContact O-CB 3.33Å; E25-E29 PolarHBondContact O-N 3.37Å
26Q95.6Very high91.7Very high97 Ų97111.4 Ų111.445%0.45360%0.597SS.*Hα-helixtrans-66-40.9177.6-68.1174.1-37.700111.3T23 V24 L28 E29 D30T23-Q26 PolarHBondContact O-N 2.95Å; T23-Q26 PolarHBondContact OG1-N 3.45Å; V24-Q26 VanDerWaalsContact C-N 3.34Å; V24-Q26 PolarHBondContact O-N 3.15Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 2.98Å; Q26-E29 PolarHBondContact O-N 2.9Å; Q26-D30 PolarHBondContact O-N 3.46Å; Q26-D30 VanDerWaalsContact O-N 3.08Å
27I93.8Very high92Very high79 Ų79111.4 Ų111.441%0.40559%0.591SS.*Hα-helixtrans-62.3-44.4175.4-65.1166.1000110.5P22 T23 V24 D30 I31P22-I27 HydrophobicContact CB-CG1 4.27Å; P22-I27 HydrophobicContact CG-CD1 4.28Å; P22-I27 HydrophobicContact CG-CG1 4.25Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 2.9Å; T23-I27 VanDerWaalsContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 3.29Å; I27-D30 PolarHBondContact O-N 2.95Å; I27-I31 HydrophobicContact CG2-CD1 3.85Å; I27-I31 VanDerWaalsContact O-CG1 3.3Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 3.43Å
28L94.6Very high92.2Very high90 Ų90108.5 Ų108.547%0.47157%0.566SS.*Hα-helixtrans-67.3-36.5179-70.4174.9000112.3V24 E25 Q26 I31 N32V24-L28 HydrophobicContact CG1-CD1 4.03Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3.18Å; E25-L28 PolarHBondContact O-N 3.03Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 2.98Å; L28-I31 PolarHBondContact O-N 3.03Å; L28-N32 WeakPolarHBondContact O-CB 3.46Å; L28-N32 VanDerWaalsContact O-CG 3.25Å; L28-N32 PolarHBondContact O-N 3.48Å; L28-N32 PolarHBondContact O-ND2 2.89Å
29E96Very high92.1Very high84 Ų84101.6 Ų101.639%0.39355%0.551SS.*Hα-helixtrans-59.5-46.8173.5-176.6179.1174.100111.2E25 Q26 N32 R33E25-E29 WeakPolarHBondContact O-CB 3.33Å; E25-E29 PolarHBondContact O-N 3.37Å; Q26-E29 PolarHBondContact O-N 2.9Å; E29-N32 PolarHBondContact O-N 2.99Å; E29-R33 WeakPolarHBondContact O-CG 3.48Å; E29-R33 PolarHBondContact O-N 3.39Å; E29-R33 VanDerWaalsContact O-N 3.07Å; E29-R33 IonicContact OE1-CZ 3.81Å; E29-R33 IonicContact OE1-NE 2.63Å; E29-R33 IonicContact OE1-NH1 2.9Å; E29-R33 PolarHBondContact OE1-NH1 3.4Å; E29-R33 IonicContact OE1-NH2 2.68Å; E29-R33 PolarHBondContact OE1-NH2 3.34Å
30D93.4Very high91.8Very high112 Ų11299.7 Ų99.760%0.59954%0.537SS*.Hα-helixtrans-63.6-43.6178.4-74.7-10.9000111.7Q26 I27 N32 R33 A34Q26-D30 PolarHBondContact O-N 3.46Å; Q26-D30 VanDerWaalsContact O-N 3.08Å; I27-D30 PolarHBondContact O-N 2.95Å; D30-N32 PolarHBondContact O-N 3.46Å; D30-R33 PolarHBondContact O-N 3.32Å; D30-A34 PolarHBondContact O-N 3.45Å
31I91.4Very high91.5Very high61 Ų6196.7 Ų96.731%0.31352%0.517SS..Hα-helixtrans-61.6-43.8176.4-68.3166.8000111I27 L28 R33 A34 F41I27-I31 HydrophobicContact CG2-CD1 3.85Å; I27-I31 VanDerWaalsContact O-CG1 3.3Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 3.43Å; L28-I31 PolarHBondContact O-N 3.03Å; I31-R33 PolarHBondContact O-N 3.49Å; I31-A34 WeakPolarHBondContact O-CB 3.5Å; I31-A34 PolarHBondContact O-N 3.01Å; I31-F41 HydrophobicContact CG2-CE1 4.03Å; I31-F41 HydrophobicContact CG2-CZ 4.13Å
32N93.1Very high90.7Very high136 Ų13694.4 Ų94.473%0.72750%0.499SS*.Hα-helixtrans-69.3-23.6-179.4-74.4-42.9000113.1L28 E29 D30L28-N32 WeakPolarHBondContact O-CB 3.46Å; L28-N32 VanDerWaalsContact O-CG 3.25Å; L28-N32 PolarHBondContact O-N 3.48Å; L28-N32 PolarHBondContact O-ND2 2.89Å; E29-N32 PolarHBondContact O-N 2.99Å; D30-N32 PolarHBondContact O-N 3.46Å
33R93.8Very high89.4Confident174 Ų17494.8 Ų94.866%0.65750%0.5SS*.Hα-helixtrans-90.5-13176-73.6-177.1174.7157.212.5113.7E29 D30 I31E29-R33 WeakPolarHBondContact O-CG 3.48Å; E29-R33 PolarHBondContact O-N 3.39Å; E29-R33 VanDerWaalsContact O-N 3.07Å; E29-R33 IonicContact OE1-CZ 3.81Å; E29-R33 IonicContact OE1-NE 2.63Å; E29-R33 IonicContact OE1-NH1 2.9Å; E29-R33 PolarHBondContact OE1-NH1 3.4Å; E29-R33 IonicContact OE1-NH2 2.68Å; E29-R33 PolarHBondContact OE1-NH2 3.34Å; D30-R33 PolarHBondContact O-N 3.32Å; I31-R33 PolarHBondContact O-N 3.49Å
34A92.7Very high87.6Confident27 Ų2796.4 Ų96.422%0.22351%0.505CS..SBendtrans-62.9145.3178.900000111.3D30 I31 D38 V40 F41D30-A34 PolarHBondContact O-N 3.45Å; I31-A34 WeakPolarHBondContact O-CB 3.5Å; I31-A34 PolarHBondContact O-N 3.01Å; A34-D38 HydrophobicContact CB-CB 3.99Å; A34-V40 HydrophobicContact CB-CG1 4.01Å; A34-F41 HydrophobicContact CB-CE2 3.63Å; A34-F41 HydrophobicContact CB-CZ 4.01Å
35F91Very high85.8Confident154 Ų15497.5 Ų97.568%0.67550%0.504SS*.  trans-73157.4176.9-67.6-78.4000111N37 D38 F41F35-N37 WeakPolarHBondContact CB-OD1 3.36Å; F35-N37 PolarHBondContact O-N 3.5Å; F35-N37 VanDerWaalsContact O-N 3.15Å; F35-D38 WeakPolarHBondContact O-CB 3.45Å; F35-D38 PolarHBondContact O-N 2.92Å; F35-F41 WeakPolarHBondContact O-CD2 3.19Å; F35-F41 WeakPolarHBondContact O-CE2 3.36Å
36S84.5Confident83.8Confident115 Ų11599 Ų9980%0.80452%0.516SS*.THydrogen-bonded Turntrans-63.6-21.1179.653.10000114.1
37N86.2Confident81.8Confident121 Ų12196.8 Ų96.865%0.64752%0.52SS*.THydrogen-bonded Turntrans-94.47.7174.366.3-23000113.3F35F35-N37 WeakPolarHBondContact CB-OD1 3.36Å; F35-N37 PolarHBondContact O-N 3.5Å; F35-N37 VanDerWaalsContact O-N 3.15Å
38D87.6Confident79.6Confident53 Ų5395.2 Ų95.228%0.28351%0.512SS..  trans-66.6134.9-178.8-167.6-59.2000110.8A34 F35 V40 F41 N42A34-D38 HydrophobicContact CB-CB 3.99Å; F35-D38 WeakPolarHBondContact O-CB 3.45Å; F35-D38 PolarHBondContact O-N 2.92Å; D38-V40 HydrophobicContact CB-CG1 4.03Å; D38-V40 PolarHBondContact O-N 3Å; D38-V40 WeakPolarHBondContact OD1-CB 3.49Å; D38-V40 WeakPolarHBondContact OD1-CG1 3.44Å; D38-V40 PolarHBondContact OD1-N 2.68Å; D38-F41 HydrophobicContact CB-CD2 4.03Å; D38-F41 HydrophobicContact CB-CE2 4.25Å; D38-F41 PolarHBondContact O-N 2.91Å; D38-N42 PolarHBondContact O-ND2 3.41Å
39P83.9Confident77.5Confident85 Ų8599.3 Ų99.355%0.55253%0.529SS*.Hα-helixtrans-51.2-28.6175.1-27.935.1000114.3F41 N42 V43P39-F41 PolarHBondContact O-N 2.91Å; P39-N42 CarbonylContact O-C 3.56Å; P39-N42 PolarHBondContact O-N 3.25Å; P39-V43 HydrophobicContact CB-CG2 4.34Å; P39-V43 WeakPolarHBondContact O-CB 3.48Å; P39-V43 WeakPolarHBondContact O-CG2 3.36Å; P39-V43 PolarHBondContact O-N 2.97Å
40V83.6Confident75.4Confident71 Ų71102.7 Ų102.743%0.4355%0.55SS..Hα-helixtrans-53.8-29.4177.476.40000112.7A34 D38A34-V40 HydrophobicContact CB-CG1 4.01Å; D38-V40 HydrophobicContact CB-CG1 4.03Å; D38-V40 PolarHBondContact O-N 3Å; D38-V40 WeakPolarHBondContact OD1-CB 3.49Å; D38-V40 WeakPolarHBondContact OD1-CG1 3.44Å; D38-V40 PolarHBondContact OD1-N 2.68Å
41F84.7Confident73.2Confident88 Ų88101.8 Ų101.839%0.38655%0.548SS..Hα-helixtrans-92-22.8177.2-56.3-62.5000113.4I31 A34 F35 D38 P39I31-F41 HydrophobicContact CG2-CE1 4.03Å; I31-F41 HydrophobicContact CG2-CZ 4.13Å; A34-F41 HydrophobicContact CB-CE2 3.63Å; A34-F41 HydrophobicContact CB-CZ 4.01Å; F35-F41 WeakPolarHBondContact O-CD2 3.19Å; F35-F41 WeakPolarHBondContact O-CE2 3.36Å; D38-F41 HydrophobicContact CB-CD2 4.03Å; D38-F41 HydrophobicContact CB-CE2 4.25Å; D38-F41 PolarHBondContact O-N 2.91Å; P39-F41 PolarHBondContact O-N 2.91Å
42N76.1Confident71.3Confident58 Ų58106.4 Ų106.431%0.3157%0.566SS.*Hα-helixtrans-102.4-14.2-174.6-59.8-38.6000114D38 P39 L44 E45 D46D38-N42 PolarHBondContact O-ND2 3.41Å; P39-N42 CarbonylContact O-C 3.56Å; P39-N42 PolarHBondContact O-N 3.25Å; N42-L44 PolarHBondContact O-N 3.42Å; N42-L44 VanDerWaalsContact O-N 3.07Å; N42-E45 PolarHBondContact O-N 3.41Å; N42-D46 PolarHBondContact O-N 3.21Å
43V67.6Low69.1Low95 Ų95108.7 Ų108.758%0.57657%0.565SS**THydrogen-bonded Turntrans-56.6-27.4177.1159.40000111.8P39P39-V43 HydrophobicContact CB-CG2 4.34Å; P39-V43 WeakPolarHBondContact O-CB 3.48Å; P39-V43 WeakPolarHBondContact O-CG2 3.36Å; P39-V43 PolarHBondContact O-N 2.97Å
44L57.8Low66.7Low99 Ų99104.8 Ų104.852%0.51858%0.579SS.*THydrogen-bonded Turntrans-86.9-15.9176.1-60.9174.2000113.3N42 N48N42-L44 PolarHBondContact O-N 3.42Å; N42-L44 VanDerWaalsContact O-N 3.07Å; L44-N48 WeakPolarHBondContact CA-ND2 3.29Å; L44-N48 WeakPolarHBondContact CB-ND2 3.45Å; L44-N48 WeakPolarHBondContact CD2-ND2 3.41Å; L44-N48 VanDerWaalsContact O-CA 3.31Å; L44-N48 WeakPolarHBondContact O-CA 2.94Å; L44-N48 WeakPolarHBondContact O-CB 3.45Å; L44-N48 PolarHBondContact O-N 3.04Å; L44-N48 PolarHBondContact O-ND2 2.98Å; L44-N48 VanDerWaalsContact O-ND2 3.14Å
45E58.3Low64.7Low119 Ų119106.4 Ų106.456%0.55659%0.588SS**THydrogen-bonded Turntrans-75.7-36175.9-64.4-155.2152.800111.7N42 G47N42-E45 PolarHBondContact O-N 3.41Å; E45-G47 VanDerWaalsContact C-N 3.32Å
46D54.9Low63Low160 Ų160104.6 Ų104.686%0.85660%0.595SS**THydrogen-bonded Turntrans-76.7-18.6175.4-69.1-33.8000113N42N42-D46 PolarHBondContact O-N 3.21Å
47G53Low61.6Low52 Ų52104.8 Ų104.854%0.53659%0.587SS.*THydrogen-bonded Turntrans-114.1-10-178.500000116.4E45E45-G47 VanDerWaalsContact C-N 3.32Å
48N48.3Very low60.9Low45 Ų45101.9 Ų101.924%0.24157%0.571CS.*  trans-135.553.7-175.7-56.1-82.8000113.7L44 D50 T51L44-N48 WeakPolarHBondContact CA-ND2 3.29Å; L44-N48 WeakPolarHBondContact CB-ND2 3.45Å; L44-N48 WeakPolarHBondContact CD2-ND2 3.41Å; L44-N48 VanDerWaalsContact O-CA 3.31Å; L44-N48 WeakPolarHBondContact O-CA 2.94Å; L44-N48 WeakPolarHBondContact O-CB 3.45Å; L44-N48 PolarHBondContact O-N 3.04Å; L44-N48 PolarHBondContact O-ND2 2.98Å; L44-N48 VanDerWaalsContact O-ND2 3.14Å; N48-D50 PolarHBondContact O-N 3.47Å; N48-T51 WeakPolarHBondContact CB-OG1 3.49Å; N48-T51 VanDerWaalsContact CG-OG1 3.26Å; N48-T51 PolarHBondContact OD1-OG1 3.04Å
49Q49.5Very low60.8Low177 Ų177105 Ų10583%0.82758%0.584SS**THydrogen-bonded Turntrans-64.8-11.6146.4-71.2-75.3-30.800111.6
50D51.3Low61Low154 Ų154104 Ų10482%0.82458%0.583SS**THydrogen-bonded Turntrans-104.4-6.1-173.6-71.2-29.4000116.6N48N48-D50 PolarHBondContact O-N 3.47Å
51T48.7Very low61.3Low93 Ų93105.2 Ų105.257%0.57158%0.584SS**THydrogen-bonded Turntrans-134.6-4.3-173.371.50000117.7N48 R53N48-T51 WeakPolarHBondContact CB-OG1 3.49Å; N48-T51 VanDerWaalsContact CG-OG1 3.26Å; N48-T51 PolarHBondContact OD1-OG1 3.04Å; T51-R53 PolarHBondContact O-N 3.12Å
52K51Low61.6Low158 Ų158104.3 Ų104.369%0.68759%0.586SS**SBendtrans-79.298.1166.6-82.5-176.3-176.4171.70109.7
53R45.8Very low62.5Low185 Ų185107.2 Ų107.270%0.69860%0.596SS**  trans113.179156.3-147.2166.4-165.4-128.52.9114.1T51 S55 N58T51-R53 PolarHBondContact O-N 3.12Å; R53-S55 PolarHBondContact O-N 3.04Å; R53-N58 WeakPolarHBondContact O-CB 3.5Å; R53-N58 PolarHBondContact O-ND2 3.04Å
54G43.7Very low63.8Low92 Ų92109 Ų10995%0.94859%0.593SS**  trans-59.891.6149.300000109.7
55S52Low65.6Low60 Ų60107 Ų10742%0.4258%0.583SS.*  trans-139.4137.3156-177.70000104.7R53 D57 N58R53-S55 PolarHBondContact O-N 3.04Å; S55-D57 PolarHBondContact O-N 3.3Å; S55-N58 WeakPolarHBondContact O-CB 3.41Å; S55-N58 PolarHBondContact O-N 3.44Å
56S54.5Low67.4Low117 Ų117107.6 Ų107.682%0.81859%0.585SS**THydrogen-bonded Turntrans-49.4-18.9176.1176.10000113.6N58S56-N58 VanDerWaalsContact C-N 3.29Å; S56-N58 PolarHBondContact O-N 3Å
57D55.9Low69.5Low119 Ų119103.1 Ų103.164%0.63657%0.566SS**Hα-helixtrans-67.9-20.5174.7-138.723.4000114.2S55S55-D57 PolarHBondContact O-N 3.3Å
58N71.3Confident71.6Confident60 Ų60107.3 Ų107.332%0.32157%0.566SS.*Hα-helixtrans-86.9-24.9-172.6-153.416.6000113.2R53 S55 S56 T62R53-N58 WeakPolarHBondContact O-CB 3.5Å; R53-N58 PolarHBondContact O-ND2 3.04Å; S55-N58 WeakPolarHBondContact O-CB 3.41Å; S55-N58 PolarHBondContact O-N 3.44Å; S56-N58 VanDerWaalsContact C-N 3.29Å; S56-N58 PolarHBondContact O-N 3Å; N58-T62 WeakPolarHBondContact O-CB 3.44Å; N58-T62 WeakPolarHBondContact O-CG2 3.36Å; N58-T62 PolarHBondContact O-N 3.09Å; N58-T62 PolarHBondContact O-OG1 3.41Å
59E84.9Confident74Confident117 Ų117112.3 Ų112.355%0.54758%0.581SS.*Hα-helixtrans-73.6-38.3178.7-166.6-172.4158.200111.9T62 K63E59-T62 VanDerWaalsContact CA-OG1 3.28Å; E59-T62 WeakPolarHBondContact CA-OG1 3.38Å; E59-T62 PolarHBondContact O-OG1 3.5Å; E59-K63 HydrophobicContact CG-CD 4.36Å; E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 2.97Å; E59-K63 WeakPolarHBondContact OE1-CE 3.32Å; E59-K63 IonicContact OE1-NZ 2.69Å; E59-K63 PolarHBondContact OE1-NZ 3.4Å
60A88.6Confident76.3Confident66 Ų66111 Ų11155%0.54557%0.57SS.*Hα-helixtrans-66.9-43.9175.400000111K63 Y64A60-K63 PolarHBondContact O-N 3.4Å; A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.48Å
61E89.8Confident78.5Confident96 Ų96108.2 Ų108.245%0.44956%0.555SS.*Hα-helixtrans-62.1-45.9176.7-171.863.3-148.800111.7K63 Y64 L65E61-K63 PolarHBondContact O-N 3.26Å; E61-Y64 WeakPolarHBondContact O-CB 3.38Å; E61-Y64 PolarHBondContact O-N 3.08Å; E61-L65 HydrophobicContact CG-CD1 4.35Å; E61-L65 WeakPolarHBondContact O-CG 3.16Å; E61-L65 PolarHBondContact O-N 3.19Å
62T89.9Confident80.9Confident68 Ų68109.1 Ų109.142%0.41755%0.552SS.*Hα-helixtrans-62.5-43.9177.746.50000112.3N58 E59 L65 Q66N58-T62 WeakPolarHBondContact O-CB 3.44Å; N58-T62 WeakPolarHBondContact O-CG2 3.36Å; N58-T62 PolarHBondContact O-N 3.09Å; N58-T62 PolarHBondContact O-OG1 3.41Å; E59-T62 VanDerWaalsContact CA-OG1 3.28Å; E59-T62 WeakPolarHBondContact CA-OG1 3.38Å; E59-T62 PolarHBondContact O-OG1 3.5Å; T62-L65 PolarHBondContact O-N 2.95Å; T62-Q66 WeakPolarHBondContact O-CB 3.48Å; T62-Q66 PolarHBondContact O-N 2.94Å
63K94.9Very high83.1Confident119 Ų119106.9 Ų106.952%0.51755%0.546SS..Hα-helixtrans-63.5-40.5174.6-76.4173.4173168.30112.3E59 A60 E61 Q66 S67E59-K63 HydrophobicContact CG-CD 4.36Å; E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 2.97Å; E59-K63 WeakPolarHBondContact OE1-CE 3.32Å; E59-K63 IonicContact OE1-NZ 2.69Å; E59-K63 PolarHBondContact OE1-NZ 3.4Å; A60-K63 PolarHBondContact O-N 3.4Å; E61-K63 PolarHBondContact O-N 3.26Å; K63-Q66 PolarHBondContact O-N 2.93Å; K63-S67 WeakPolarHBondContact O-CB 3.49Å; K63-S67 PolarHBondContact O-N 3.18Å
64Y95.4Very high85.7Confident133 Ų133100.2 Ų100.252%0.52252%0.524SS..Hα-helixtrans-60.9-50.2175.6169.9-104000111.3A60 E61 Q66 S67 R68A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.48Å; E61-Y64 WeakPolarHBondContact O-CB 3.38Å; E61-Y64 PolarHBondContact O-N 3.08Å; Y64-Q66 VanDerWaalsContact C-N 3.31Å; Y64-Q66 PolarHBondContact O-N 3.15Å; Y64-S67 PolarHBondContact O-N 3.33Å; Y64-R68 WeakPolarHBondContact O-CB 3.5Å; Y64-R68 PolarHBondContact O-N 3.45Å
65L96.2Very high88.3Confident58 Ų58101.7 Ų101.730%0.30451%0.506SS..Hα-helixtrans-62.5-38.6178.3-68.4175.2000112.1E61 T62 R68 R69E61-L65 HydrophobicContact CG-CD1 4.35Å; E61-L65 WeakPolarHBondContact O-CG 3.16Å; E61-L65 PolarHBondContact O-N 3.19Å; T62-L65 PolarHBondContact O-N 2.95Å; L65-R68 PolarHBondContact O-N 2.96Å; L65-R69 WeakPolarHBondContact O-CG 3.22Å; L65-R69 PolarHBondContact O-N 2.93Å
66Q96.7Very high90.5Very high131 Ų131107 Ų10761%0.61252%0.517SS*.Hα-helixtrans-64-46.4174.5-176.4-179.8-4.500111.8T62 K63 Y64 R68 R69 Y70T62-Q66 WeakPolarHBondContact O-CB 3.48Å; T62-Q66 PolarHBondContact O-N 2.94Å; K63-Q66 PolarHBondContact O-N 2.93Å; Y64-Q66 VanDerWaalsContact C-N 3.31Å; Y64-Q66 PolarHBondContact O-N 3.15Å; Q66-R68 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 2.91Å; Q66-R69 PolarHBondContact O-N 3.03Å; Q66-Y70 WeakPolarHBondContact O-CB 3.31Å; Q66-Y70 PolarHBondContact O-N 2.94Å
67S97.4Very high92.6Very high65 Ų65106.6 Ų106.646%0.45551%0.505SS..Hα-helixtrans-61.1-43.7177179.90000111.3K63 Y64 Y70 L71K63-S67 WeakPolarHBondContact O-CB 3.49Å; K63-S67 PolarHBondContact O-N 3.18Å; Y64-S67 PolarHBondContact O-N 3.33Å; S67-Y70 WeakPolarHBondContact O-CB 3.42Å; S67-Y70 PolarHBondContact O-N 3.12Å; S67-L71 WeakPolarHBondContact O-CG 3.4Å; S67-L71 PolarHBondContact O-N 3.43Å
68R97.8Very high94.6Very high141 Ų141105.6 Ų105.653%0.53250%0.497SS..Hα-helixtrans-60.6-48177.4-167.3-175.8117.2173.92.7111.9Y64 L65 Q66 Y70 L71 E72Y64-R68 WeakPolarHBondContact O-CB 3.5Å; Y64-R68 PolarHBondContact O-N 3.45Å; L65-R68 PolarHBondContact O-N 2.96Å; Q66-R68 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 2.91Å; R68-Y70 VanDerWaalsContact C-N 3.3Å; R68-Y70 PolarHBondContact O-N 2.98Å; R68-L71 PolarHBondContact O-N 3.42Å; R68-E72 PolarHBondContact O-N 3.49Å
69R98.1Very high95.9Very high149 Ų149108.7 Ų108.756%0.56251%0.509SS*.Hα-helixtrans-60.9-39.3176-75.7-171.9-69.4-101.73112.2L65 Q66 M73L65-R69 WeakPolarHBondContact O-CG 3.22Å; L65-R69 PolarHBondContact O-N 2.93Å; Q66-R69 PolarHBondContact O-N 3.03Å; R69-M73 WeakPolarHBondContact O-CB 3.09Å; R69-M73 PolarHBondContact O-N 3.26Å
70Y98.1Very high96.6Very high150 Ų150106.5 Ų106.559%0.58850%0.504SS*.Hα-helixtrans-63.2-44.7176.4172.6-94.3000111.6Q66 S67 R68 M73 N74Q66-Y70 WeakPolarHBondContact O-CB 3.31Å; Q66-Y70 PolarHBondContact O-N 2.94Å; S67-Y70 WeakPolarHBondContact O-CB 3.42Å; S67-Y70 PolarHBondContact O-N 3.12Å; R68-Y70 VanDerWaalsContact C-N 3.3Å; R68-Y70 PolarHBondContact O-N 2.98Å; Y70-M73 PolarHBondContact O-N 3.23Å; Y70-N74 VanDerWaalsContact O-CB 3.31Å; Y70-N74 WeakPolarHBondContact O-CB 3.4Å; Y70-N74 PolarHBondContact O-N 3.46Å; Y70-N74 PolarHBondContact OH-ND2 2.84Å
71L98.6Very high97Very high95 Ų95110.7 Ų110.750%0.49751%0.505SS..Hα-helixtrans-63.3-46.9178.3-71174.3000111.6S67 R68 M73 N74 E75S67-L71 WeakPolarHBondContact O-CG 3.4Å; S67-L71 PolarHBondContact O-N 3.43Å; R68-L71 PolarHBondContact O-N 3.42Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.35Å; L71-N74 WeakPolarHBondContact O-CB 3.37Å; L71-N74 PolarHBondContact O-N 3.03Å; L71-N74 VanDerWaalsContact O-N 3.08Å; L71-E75 WeakPolarHBondContact O-CG 3.05Å; L71-E75 PolarHBondContact O-N 2.69Å
72E98.3Very high97.4Very high112 Ų112108 Ų10852%0.52350%0.504SS..Hα-helixtrans-58-45.3176.6-177.1-179.1174.700111.6R68 N74 E75 R76R68-E72 PolarHBondContact O-N 3.49Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.04Å; E72-E75 PolarHBondContact O-N 2.72Å; E72-R76 PolarHBondContact O-N 3Å; E72-R76 VanDerWaalsContact O-N 3.12Å
73M98.3Very high97.9Very high111 Ų111110.3 Ų110.355%0.54751%0.509SS..Hα-helixtrans-64.8-38.4175.8-175.462.577.200111.9R69 Y70 L71 R76 L77R69-M73 WeakPolarHBondContact O-CB 3.09Å; R69-M73 PolarHBondContact O-N 3.26Å; Y70-M73 PolarHBondContact O-N 3.23Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.35Å; M73-R76 PolarHBondContact O-N 3.07Å; M73-L77 HydrophobicContact CG-CD1 4.25Å; M73-L77 WeakPolarHBondContact O-CB 3.36Å; M73-L77 VanDerWaalsContact O-CG 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.43Å
74N98.6Very high98Very high46 Ų46109.6 Ų109.625%0.24651%0.511CS..Hα-helixtrans-65.9-44.8179.2-162.8-47.9000111.2Y70 L71 E72 R76 L77 Q78Y70-N74 VanDerWaalsContact O-CB 3.31Å; Y70-N74 WeakPolarHBondContact O-CB 3.4Å; Y70-N74 PolarHBondContact O-N 3.46Å; Y70-N74 PolarHBondContact OH-ND2 2.84Å; L71-N74 WeakPolarHBondContact O-CB 3.37Å; L71-N74 PolarHBondContact O-N 3.03Å; L71-N74 VanDerWaalsContact O-N 3.08Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.04Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 2.92Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 2.85Å; N74-Q78 WeakPolarHBondContact O-CG 3.4Å; N74-Q78 PolarHBondContact O-N 2.88Å; N74-Q78 PolarHBondContact OD1-NE2 3.06Å
75E98.5Very high98.2Very high123 Ų123106.5 Ų106.558%0.57551%0.506SS*.Hα-helixtrans-55.4-49.5174.2-74.4175.5175.300110.7L71 E72 L77 Q78 E79L71-E75 WeakPolarHBondContact O-CG 3.05Å; L71-E75 PolarHBondContact O-N 2.69Å; E72-E75 PolarHBondContact O-N 2.72Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.5Å; E75-Q78 WeakPolarHBondContact O-CB 3.41Å; E75-Q78 PolarHBondContact O-N 3.08Å; E75-E79 WeakPolarHBondContact O-CG 3.39Å; E75-E79 PolarHBondContact O-N 3.47Å
76R98.5Very high98.3Very high170 Ų170109.4 Ų109.464%0.64252%0.518SS*.Hα-helixtrans-60.2-39.8177.3-134.9177.5-176.6-177.40.9113.2E72 M73 N74 Q78 E79 V80E72-R76 PolarHBondContact O-N 3Å; E72-R76 VanDerWaalsContact O-N 3.12Å; M73-R76 PolarHBondContact O-N 3.07Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 2.92Å; R76-Q78 VanDerWaalsContact C-N 3.31Å; R76-E79 PolarHBondContact O-N 2.76Å; R76-V80 WeakPolarHBondContact O-CG2 3.47Å; R76-V80 PolarHBondContact O-N 3.42Å; R76-V80 VanDerWaalsContact O-N 3.09Å
77L98.7Very high98.4Very high110 Ų110108.4 Ų108.458%0.57651%0.513SS*.Hα-helixtrans-65.9-35.2175.2-76.1171.3000112.1M73 N74 E75 R81M73-L77 HydrophobicContact CG-CD1 4.25Å; M73-L77 WeakPolarHBondContact O-CB 3.36Å; M73-L77 VanDerWaalsContact O-CG 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.43Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 2.85Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-R81 VanDerWaalsContact O-CB 3.22Å; L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 3.25Å
78Q98.6Very high98.4Very high98 Ų98111.7 Ų111.746%0.45852%0.516SS..Hα-helixtrans-69.1-40.7176.9-70-176.614.700111.8N74 E75 R76 R81 G82N74-Q78 WeakPolarHBondContact O-CG 3.4Å; N74-Q78 PolarHBondContact O-N 2.88Å; N74-Q78 PolarHBondContact OD1-NE2 3.06Å; E75-Q78 WeakPolarHBondContact O-CB 3.41Å; E75-Q78 PolarHBondContact O-N 3.08Å; R76-Q78 VanDerWaalsContact C-N 3.31Å; Q78-R81 PolarHBondContact O-N 3Å; Q78-G82 PolarHBondContact O-N 2.93Å
79E98.5Very high98.5Very high125 Ų125109.9 Ų109.958%0.58451%0.513SS*.Hα-helixtrans-58.4-55.7174-69.9173.2171.900110.9E75 R76 R81 G82 E83E75-E79 WeakPolarHBondContact O-CG 3.39Å; E75-E79 PolarHBondContact O-N 3.47Å; R76-E79 PolarHBondContact O-N 2.76Å; E79-R81 VanDerWaalsContact C-N 3.26Å; E79-R81 PolarHBondContact O-N 2.87Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 3.12Å; E79-E83 PolarHBondContact O-N 3.14Å
80V98.5Very high98.5Very high70 Ų70107.9 Ų107.942%0.42451%0.51SS..Hα-helixtrans-60.7-37179.9175.70000111.5R76 G82 E83 L84R76-V80 WeakPolarHBondContact O-CG2 3.47Å; R76-V80 PolarHBondContact O-N 3.42Å; R76-V80 VanDerWaalsContact O-N 3.09Å; V80-G82 VanDerWaalsContact C-N 3.32Å; V80-G82 PolarHBondContact O-N 3.01Å; V80-E83 PolarHBondContact O-N 3.4Å; V80-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 WeakPolarHBondContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.08Å
81R98.6Very high98.5Very high154 Ų154106.8 Ų106.858%0.58151%0.514SS*.Hα-helixtrans-63.5-39.2174-175.5179.866.5-159.8-0.5111.7L77 Q78 E79 L84 V85L77-R81 VanDerWaalsContact O-CB 3.22Å; L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 3.25Å; Q78-R81 PolarHBondContact O-N 3Å; E79-R81 VanDerWaalsContact C-N 3.26Å; E79-R81 PolarHBondContact O-N 2.87Å; R81-L84 PolarHBondContact O-N 3.02Å; R81-V85 VanDerWaalsContact O-CG2 3.32Å; R81-V85 WeakPolarHBondContact O-CG2 3.38Å; R81-V85 PolarHBondContact O-N 3.35Å; R81-V85 VanDerWaalsContact O-N 3.08Å
82G98.5Very high98.5Very high40 Ų40109 Ų10941%0.41252%0.516SS..Hα-helixtrans-61.6-48.8174.800000111.8Q78 E79 V80 L84 V85 Q86Q78-G82 PolarHBondContact O-N 2.93Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 3.12Å; V80-G82 VanDerWaalsContact C-N 3.32Å; V80-G82 PolarHBondContact O-N 3.01Å; G82-L84 VanDerWaalsContact C-N 3.34Å; G82-L84 PolarHBondContact O-N 3.49Å; G82-V85 PolarHBondContact O-N 2.9Å; G82-Q86 PolarHBondContact O-N 3.34Å
83E98.6Very high98.5Very high116 Ų116107.7 Ų107.754%0.54252%0.515SS..Hα-helixtrans-57.8-45.1176.2-67178.3175.700111.9E79 V80 V85 Q86 Q87E79-E83 PolarHBondContact O-N 3.14Å; V80-E83 PolarHBondContact O-N 3.4Å; E83-V85 VanDerWaalsContact C-N 3.33Å; E83-V85 PolarHBondContact O-N 3.46Å; E83-Q86 WeakPolarHBondContact O-CB 3.46Å; E83-Q86 PolarHBondContact O-N 3.36Å; E83-Q87 WeakPolarHBondContact O-CG 3.12Å; E83-Q87 PolarHBondContact O-N 2.96Å
84L98.6Very high98.4Very high104 Ų104105.1 Ų105.155%0.54551%0.511SS..Hα-helixtrans-62.2-39.3177.6-78.9170.7000112.6V80 R81 G82 Q86 R88V80-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 WeakPolarHBondContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.08Å; R81-L84 PolarHBondContact O-N 3.02Å; G82-L84 VanDerWaalsContact C-N 3.34Å; G82-L84 PolarHBondContact O-N 3.49Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 PolarHBondContact O-N 3.45Å
85V98.6Very high98.4Very high69 Ų69107.3 Ų107.342%0.41852%0.519SS..Hα-helixtrans-64.4-42.2176.2167.40000110.6R81 G82 E83 R88 E89R81-V85 VanDerWaalsContact O-CG2 3.32Å; R81-V85 WeakPolarHBondContact O-CG2 3.38Å; R81-V85 PolarHBondContact O-N 3.35Å; R81-V85 VanDerWaalsContact O-N 3.08Å; G82-V85 PolarHBondContact O-N 2.9Å; E83-V85 VanDerWaalsContact C-N 3.33Å; E83-V85 PolarHBondContact O-N 3.46Å; V85-R88 PolarHBondContact O-N 3.07Å; V85-E89 PolarHBondContact O-N 3.14Å; V85-E89 VanDerWaalsContact O-N 3.12Å
86Q98.4Very high98.4Very high119 Ų119106.1 Ų106.156%0.55651%0.513SS*.Hα-helixtrans-62.8-50176.7-175.3-176.1-30.700111.4G82 E83 L84 R88 E89 E90G82-Q86 PolarHBondContact O-N 3.34Å; E83-Q86 WeakPolarHBondContact O-CB 3.46Å; E83-Q86 PolarHBondContact O-N 3.36Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.4Å; Q86-E89 WeakPolarHBondContact O-CB 3.39Å; Q86-E89 PolarHBondContact O-N 2.87Å; Q86-E90 PolarHBondContact NE2-OE1 3.01Å; Q86-E90 WeakPolarHBondContact O-CG 3.42Å; Q86-E90 PolarHBondContact O-N 3.49Å
87Q98.4Very high98.3Very high109 Ų109103.7 Ų103.751%0.50951%0.509SS..Hα-helixtrans-58.7-39.6178.4-73.1179-9.700112.2E83 E89 E90 L91E83-Q87 WeakPolarHBondContact O-CG 3.12Å; E83-Q87 PolarHBondContact O-N 2.96Å; Q87-E89 VanDerWaalsContact C-N 3.32Å; Q87-E89 PolarHBondContact O-N 3.22Å; Q87-E90 PolarHBondContact O-N 2.95Å; Q87-L91 WeakPolarHBondContact O-CG 3.34Å; Q87-L91 PolarHBondContact O-N 3.49Å
88R98.4Very high98.3Very high135 Ų135103.8 Ų103.851%0.50951%0.509SS..Hα-helixtrans-61.6-41.3175.5-176.5-162.168-163.9-2111.6L84 V85 Q86 L91 W92L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 PolarHBondContact O-N 3.45Å; V85-R88 PolarHBondContact O-N 3.07Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.4Å; R88-L91 PolarHBondContact O-N 3.23Å; R88-W92 PolarHBondContact O-N 2.81Å
89E98.4Very high98.2Very high103 Ų103104.4 Ų104.448%0.48151%0.512SS..Hα-helixtrans-66.9-44.2178.6-167.260.1-151.900111.4V85 Q86 Q87 L91 W92 V93V85-E89 PolarHBondContact O-N 3.14Å; V85-E89 VanDerWaalsContact O-N 3.12Å; Q86-E89 WeakPolarHBondContact O-CB 3.39Å; Q86-E89 PolarHBondContact O-N 2.87Å; Q87-E89 VanDerWaalsContact C-N 3.32Å; Q87-E89 PolarHBondContact O-N 3.22Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.42Å; E89-W92 WeakPolarHBondContact O-CB 3.45Å; E89-W92 PolarHBondContact O-N 3.4Å; E89-V93 WeakPolarHBondContact O-CG2 3.46Å; E89-V93 PolarHBondContact O-N 2.86Å
90E98.4Very high98.1Very high106 Ų106103.1 Ų103.150%0.49551%0.505SS..Hα-helixtrans-57-42.8174.8-70171.8-171.500111.6Q86 Q87 W92 V93 A94Q86-E90 PolarHBondContact NE2-OE1 3.01Å; Q86-E90 WeakPolarHBondContact O-CG 3.42Å; Q86-E90 PolarHBondContact O-N 3.49Å; Q87-E90 PolarHBondContact O-N 2.95Å; E90-W92 PolarHBondContact O-N 3.41Å; E90-V93 PolarHBondContact O-N 3.39Å; E90-A94 WeakPolarHBondContact O-CB 3.43Å; E90-A94 PolarHBondContact O-N 2.94Å
91L98.4Very high98Very high127 Ų127102.4 Ų102.467%0.66550%0.503SS*.Hα-helixtrans-64.8-36.9174.9-73.9174.5000112.8Q87 R88 E89 A94 K95Q87-L91 WeakPolarHBondContact O-CG 3.34Å; Q87-L91 PolarHBondContact O-N 3.49Å; R88-L91 PolarHBondContact O-N 3.23Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.42Å; L91-A94 PolarHBondContact O-N 3.37Å; L91-K95 VanDerWaalsContact O-CB 3.29Å; L91-K95 WeakPolarHBondContact O-CB 3.4Å; L91-K95 PolarHBondContact O-N 3.37Å
92W98.1Very high97.9Very high142 Ų14298 Ų9854%0.53849%0.493SS..Hα-helixtrans-64.4-45.2175.5-99.2108.5000112R88 E89 E90 K95 E96R88-W92 PolarHBondContact O-N 2.81Å; E89-W92 WeakPolarHBondContact O-CB 3.45Å; E89-W92 PolarHBondContact O-N 3.4Å; E90-W92 PolarHBondContact O-N 3.41Å; W92-K95 HydrophobicContact CE3-CD 4.16Å; W92-K95 HydrophobicContact CZ3-CD 4.12Å; W92-K95 WeakPolarHBondContact O-CB 3.38Å; W92-K95 PolarHBondContact O-N 3.47Å; W92-E96 PolarHBondContact O-N 2.91Å
93V98.2Very high97.8Very high85 Ų8599 Ų9952%0.51550%0.498SS..Hα-helixtrans-62.7-45.9175.6174.70000110.8E89 E90 K95 E96 Q97E89-V93 WeakPolarHBondContact O-CG2 3.46Å; E89-V93 PolarHBondContact O-N 2.86Å; E90-V93 PolarHBondContact O-N 3.39Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.22Å; V93-E96 PolarHBondContact O-N 2.93Å; V93-Q97 PolarHBondContact O-N 2.95Å
94A98Very high97.6Very high56 Ų5698.9 Ų98.946%0.46350%0.497SS..Hα-helixtrans-60.5-40.1177.500000111.9E90 L91 Q97 L98E90-A94 WeakPolarHBondContact O-CB 3.43Å; E90-A94 PolarHBondContact O-N 2.94Å; L91-A94 PolarHBondContact O-N 3.37Å; A94-Q97 PolarHBondContact O-N 3.45Å; A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 PolarHBondContact O-N 2.98Å
95K98Very high97.4Very high93 Ų9398.5 Ų98.540%0.40450%0.499SS..Hα-helixtrans-60.9-49.8174.4176.9-168.6164.7-168.90111.4L91 W92 V93 Q97 L98 E99L91-K95 VanDerWaalsContact O-CB 3.29Å; L91-K95 WeakPolarHBondContact O-CB 3.4Å; L91-K95 PolarHBondContact O-N 3.37Å; W92-K95 HydrophobicContact CE3-CD 4.16Å; W92-K95 HydrophobicContact CZ3-CD 4.12Å; W92-K95 WeakPolarHBondContact O-CB 3.38Å; W92-K95 PolarHBondContact O-N 3.47Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.22Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 3.23Å; K95-L98 WeakPolarHBondContact O-CB 3.43Å; K95-L98 PolarHBondContact O-N 2.96Å; K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 IonicContact NZ-OE1 2.72Å; K95-E99 WeakPolarHBondContact O-CG 3.28Å; K95-E99 PolarHBondContact O-N 3.28Å
96E97.9Very high97.1Very high98 Ų98101.9 Ų101.946%0.45851%0.508SS..Hα-helixtrans-61.2-41.9-179.4-168-168.1161.500111.2W92 V93 L98 E99 K100W92-E96 PolarHBondContact O-N 2.91Å; V93-E96 PolarHBondContact O-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.48Å; E96-E99 PolarHBondContact O-N 2.9Å; E96-K100 WeakPolarHBondContact O-CG 3.35Å; E96-K100 PolarHBondContact O-N 3.33Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 3.02Å
97Q97.5Very high96.6Very high118 Ų11898.4 Ų98.455%0.55150%0.504SS*.Hα-helixtrans-63.8-39.7176.8-173.459.423.700111.9V93 A94 K95 K100 S101V93-Q97 PolarHBondContact O-N 2.95Å; A94-Q97 PolarHBondContact O-N 3.45Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 3.23Å; Q97-K100 PolarHBondContact O-N 2.96Å; Q97-S101 WeakPolarHBondContact O-CB 3.49Å; Q97-S101 PolarHBondContact O-N 3.29Å
98L97.3Very high95.6Very high112 Ų112102.8 Ų102.859%0.58652%0.516SS*.Hα-helixtrans-64.3-44175.1-178.462.9000111.4A94 K95 E96 K100 S101 V102A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 PolarHBondContact O-N 2.98Å; K95-L98 WeakPolarHBondContact O-CB 3.43Å; K95-L98 PolarHBondContact O-N 2.96Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.48Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.46Å; L98-S101 PolarHBondContact O-N 3.16Å; L98-V102 HydrophobicContact CD1-CG2 4.31Å; L98-V102 HydrophobicContact CG-CG2 4.46Å; L98-V102 WeakPolarHBondContact O-CB 3.2Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.32Å; L98-V102 PolarHBondContact O-N 3.35Å
99E97.3Very high94.3Very high111 Ų111100.4 Ų100.452%0.51953%0.525SS..Hα-helixtrans-59.3-43.3177.1-74.8176.8172.700111.7K95 E96 V102 A103K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 IonicContact NZ-OE1 2.72Å; K95-E99 WeakPolarHBondContact O-CG 3.28Å; K95-E99 PolarHBondContact O-N 3.28Å; E96-E99 PolarHBondContact O-N 2.9Å; E99-V102 PolarHBondContact O-N 2.67Å; E99-A103 WeakPolarHBondContact O-CB 3.36Å; E99-A103 PolarHBondContact O-N 3.07Å
100K96.6Very high92.2Very high99 Ų99105.3 Ų105.343%0.4355%0.554SS.*Hα-helixtrans-61.1-48.8173.9-71.2171.5-174.5164.10111.8E96 Q97 L98 V102 A103 E104E96-K100 WeakPolarHBondContact O-CG 3.35Å; E96-K100 PolarHBondContact O-N 3.33Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 3.02Å; Q97-K100 PolarHBondContact O-N 2.96Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.46Å; K100-V102 VanDerWaalsContact C-N 3.32Å; K100-V102 PolarHBondContact O-N 2.94Å; K100-A103 WeakPolarHBondContact O-CB 3.38Å; K100-A103 PolarHBondContact O-N 3.48Å; K100-A103 VanDerWaalsContact O-N 3.15Å; K100-E104 PolarHBondContact O-N 3.44Å
101S96.6Very high91.9Very high55 Ų55105.3 Ų105.339%0.38556%0.557SS.*Hα-helixtrans-59.7-42.4178.7-177.70000112Q97 L98 E104 V105Q97-S101 WeakPolarHBondContact O-CB 3.49Å; Q97-S101 PolarHBondContact O-N 3.29Å; L98-S101 PolarHBondContact O-N 3.16Å; S101-E104 PolarHBondContact O-N 2.92Å; S101-V105 WeakPolarHBondContact O-CG2 3.42Å; S101-V105 PolarHBondContact O-N 3.42Å
102V96.5Very high91.6Very high61 Ų61104.2 Ų104.237%0.3755%0.551SS.*Hα-helixtrans-63.7-41.6175.9169.40000111.4L98 E99 K100 V105 K106L98-V102 HydrophobicContact CD1-CG2 4.31Å; L98-V102 HydrophobicContact CG-CG2 4.46Å; L98-V102 WeakPolarHBondContact O-CB 3.2Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.32Å; L98-V102 PolarHBondContact O-N 3.35Å; E99-V102 PolarHBondContact O-N 2.67Å; K100-V102 VanDerWaalsContact C-N 3.32Å; K100-V102 PolarHBondContact O-N 2.94Å; V102-V105 PolarHBondContact O-N 2.97Å; V102-K106 HydrophobicContact CG1-CD 4.1Å; V102-K106 WeakPolarHBondContact O-CB 3.39Å; V102-K106 WeakPolarHBondContact O-CG 3.32Å; V102-K106 PolarHBondContact O-N 3.04Å
103A95.2Very high91.2Very high62 Ų62102.1 Ų102.151%0.51255%0.552SS.*Hα-helixtrans-63.6-42.417700000112.1E99 K100 K106 G107E99-A103 WeakPolarHBondContact O-CB 3.36Å; E99-A103 PolarHBondContact O-N 3.07Å; K100-A103 WeakPolarHBondContact O-CB 3.38Å; K100-A103 PolarHBondContact O-N 3.48Å; K100-A103 VanDerWaalsContact O-N 3.15Å; A103-K106 PolarHBondContact O-N 2.94Å; A103-G107 PolarHBondContact O-N 2.84Å
104E94.6Very high90.8Very high113 Ų113103.1 Ų103.153%0.52855%0.554SS.*Hα-helixtrans-61.5-46.1175.4-73.2-177.6-168.200112.3K100 S101 K106 G107 R108K100-E104 PolarHBondContact O-N 3.44Å; S101-E104 PolarHBondContact O-N 2.92Å; E104-K106 VanDerWaalsContact C-N 3.34Å; E104-K106 PolarHBondContact O-N 2.85Å; E104-G107 PolarHBondContact O-N 2.78Å; E104-R108 WeakPolarHBondContact O-CG 3.36Å; E104-R108 PolarHBondContact O-N 2.63Å; E104-R108 IonicContact OE2-NH2 3.97Å
105V94.1Very high90.3Very high95 Ų95106 Ų10658%0.57656%0.559SS**Hα-helixtrans-62.8-43.1178.4172.20000110.8S101 V102 R108 A109S101-V105 WeakPolarHBondContact O-CG2 3.42Å; S101-V105 PolarHBondContact O-N 3.42Å; V102-V105 PolarHBondContact O-N 2.97Å; V105-R108 PolarHBondContact O-N 3.26Å; V105-A109 WeakPolarHBondContact O-CB 3.32Å; V105-A109 PolarHBondContact O-N 2.88Å; V105-A109 VanDerWaalsContact O-N 3.13Å
106K92.9Very high89.8Confident140 Ų140106.9 Ų106.961%0.60957%0.57SS**Hα-helixtrans-62.7-41.2175.6-75177.7179.9179.40112.2V102 A103 E104 R108 A109V102-K106 HydrophobicContact CG1-CD 4.1Å; V102-K106 WeakPolarHBondContact O-CB 3.39Å; V102-K106 WeakPolarHBondContact O-CG 3.32Å; V102-K106 PolarHBondContact O-N 3.04Å; A103-K106 PolarHBondContact O-N 2.94Å; E104-K106 VanDerWaalsContact C-N 3.34Å; E104-K106 PolarHBondContact O-N 2.85Å; K106-R108 VanDerWaalsContact C-N 3.34Å; K106-A109 PolarHBondContact O-N 3.48Å
107G87.4Confident89.3Confident47 Ų47107.5 Ų107.549%0.48558%0.578SS.*Hα-helixtrans-67.9-30.7178.300000113.8A103 E104A103-G107 PolarHBondContact O-N 2.84Å; E104-G107 PolarHBondContact O-N 2.78Å
108R77.9Confident88.6Confident201 Ų201106.7 Ų106.776%0.75858%0.58SS**Hα-helixtrans-80.3-18.1174.6-68.5178.1-170.5-169.67.2113.8E104 V105 K106E104-R108 WeakPolarHBondContact O-CG 3.36Å; E104-R108 PolarHBondContact O-N 2.63Å; E104-R108 IonicContact OE2-NH2 3.97Å; V105-R108 PolarHBondContact O-N 3.26Å; K106-R108 VanDerWaalsContact C-N 3.34Å
109A70.9Confident87.9Confident84 Ų84106.3 Ų106.369%0.69458%0.579SS**THydrogen-bonded Turntrans-90.5-1.3-179.600000113.4V105 K106V105-A109 WeakPolarHBondContact O-CB 3.32Å; V105-A109 PolarHBondContact O-N 2.88Å; V105-A109 VanDerWaalsContact O-N 3.13Å; K106-A109 PolarHBondContact O-N 3.48Å
110L54.9Low87.1Confident207 Ų207105.8 Ų105.8100%1.08459%0.585SS**  trans-103.70170.8-69170.6000109.6

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