A0A5K4FBJ4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FBJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 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
1M38.2Very low49.8Very low246 Ų246171.6 Ų171.6100%1.21287%0.873SS**  0119.70-80.4-173.816400110.4
2K50Low49.7Very low200 Ų200169.6 Ų169.687%0.8787%0.866SS**  trans141.186.8156.4-95.1179.2172167.80109.8
3V47.2Very low49.5Very low144 Ų144170.5 Ų170.587%0.87386%0.864SS**  trans-81.4124.2166.1-162.20000106.4
4K57.2Low49.9Very low194 Ų194169.2 Ų169.284%0.84385%0.854SS**  trans-118.998.8165.4-84.1-164.4174.8-174.60108.3K6K4-K6 PolarHBondContact O-N 3.41Å
5S51.6Low50.1Low115 Ų115169.9 Ų169.980%0.80485%0.852SS**  trans-66.9120.4165.742.20000109.2
6K58.1Low50.7Low206 Ų206167.3 Ų167.390%0.89684%0.842SS**  trans-97.2111163.4-101.9-175.4175.1-177.40108.1K4 K8K4-K6 PolarHBondContact O-N 3.41Å; K6-K8 PolarHBondContact O-N 2.76Å
7K53.8Low51.5Low208 Ų208167.4 Ų167.490%0.90484%0.839SS**PPolyproline II helixtrans-56.3116.6173.9-166.3174.7-176.7178.40109.3
8K51.9Low52.9Low203 Ų203166.7 Ų166.788%0.88383%0.833SS**PPolyproline II helixtrans-75.2120.5167.3-77.1-175.9175.2-176.20108K6K6-K8 PolarHBondContact O-N 2.76Å
9S47.1Very low54.1Low105 Ų105166.3 Ų166.373%0.73483%0.83SS**PPolyproline II helixtrans-70.7123.8162.9400000108.3E11S9-E11 PolarHBondContact O-N 2.74Å
10A44.6Very low55.6Low94 Ų94167.5 Ų167.578%0.77783%0.83SS**  trans-77.3104.8167.900000107.6
11E48.1Very low56.9Low173 Ų173163.9 Ų163.981%0.80882%0.817SS**  trans-91.7117.3159.5-76.8178.6170.300106.1S9 E13S9-E11 PolarHBondContact O-N 2.74Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.18Å
12N48.6Very low59.2Low147 Ų147161.6 Ų161.679%0.78680%0.795SS**  trans-62.793.4170.7-78.7-18.3000108.1E14N12-E14 PolarHBondContact O-N 3.39Å
13E47.5Very low60.7Low181 Ų181156.5 Ų156.585%0.84678%0.777SS**  trans-70.385.7154.7-72178166.800106.1E11 E15E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.18Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 2.69Å
14E54.5Low62.5Low153 Ų153153 Ų15372%0.71577%0.77SS**  trans-58.1106.3159.1-76.5-179.417100105.9N12 N16N12-E14 PolarHBondContact O-N 3.39Å; E14-N16 PolarHBondContact O-N 3.26Å
15E52.5Low63.8Low179 Ų179149.5 Ų149.584%0.83676%0.761SS**  trans-57.181.8168-68.7177.9164.300107.7E13 E17E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 2.69Å; E15-E17 VanDerWaalsContact C-N 3.27Å; E15-E17 PolarHBondContact O-N 3.39Å
16N59.8Low65.5Low129 Ų129145.7 Ų145.769%0.6973%0.732SS**  trans-63.898.7164.4-77.7-52.2000105.2E14 E18E14-N16 PolarHBondContact O-N 3.26Å; N16-E18 VanDerWaalsContact C-N 3.26Å; N16-E18 PolarHBondContact O-N 3.12Å
17E65.5Low66.9Low168 Ų168139.6 Ų139.679%0.78571%0.714SS**  trans-58.193.1171.1-69.5-178.7172.200108.2E15 M19E15-E17 VanDerWaalsContact C-N 3.27Å; E15-E17 PolarHBondContact O-N 3.39Å; E17-M19 PolarHBondContact O-N 2.95Å
18E75.4Confident68.4Low156 Ų156133.6 Ų133.673%0.72969%0.691SS**  trans-66.597.4178.5-71.1-174.717200109.1N16 F20N16-E18 VanDerWaalsContact C-N 3.26Å; N16-E18 PolarHBondContact O-N 3.12Å; E18-F20 PolarHBondContact O-N 3.28Å
19M77.2Confident70.1Confident159 Ų159130.1 Ų130.178%0.78368%0.682SS**  trans-81.2114.2175.5-73.8-80.6-77.100110.3E17 V21E17-M19 PolarHBondContact O-N 2.95Å; M19-V21 PolarHBondContact O-N 3.11Å
20F82.9Confident72.1Confident189 Ų189130.6 Ų130.683%0.82968%0.675SS**  trans-81.7111.5175.3-64.7-82.1000111.1E18E18-F20 PolarHBondContact O-N 3.28Å
21V83.3Confident74.1Confident93 Ų93128 Ų12856%0.56465%0.648SS**  trans-107.7138175.7-174.30000110.2M19 L23 V26M19-V21 PolarHBondContact O-N 3.11Å; V21-L23 PolarHBondContact O-N 2.98Å; V21-V26 HydrophobicContact CB-CG2 4.47Å; V21-V26 HydrophobicContact CG1-CG2 3.72Å
22R86Confident76Confident197 Ų197123.1 Ų123.174%0.74362%0.623SS**  trans-68.2129.4171.6-64.8179.4173.2-163.3-1109G24 D25R22-G24 PolarHBondContact O-N 3.4Å; R22-D25 WeakPolarHBondContact CB-OD2 3.27Å; R22-D25 PolarHBondContact O-N 3.34Å
23L83Confident77.8Confident93 Ų93123 Ų12349%0.48761%0.612SS.*THydrogen-bonded Turntrans-56.9-26.2-178.7-72.6178000114.2V21 D25 L31 M54V21-L23 PolarHBondContact O-N 2.98Å; L23-D25 VanDerWaalsContact C-N 3.32Å; L23-L31 HydrophobicContact CD2-CD2 4.38Å; L23-M54 HydrophobicContact CB-CE 3.69Å; L23-M54 HydrophobicContact CB-SD 3.61Å; L23-M54 HydrophobicContact CD1-CE 4.31Å; L23-M54 HydrophobicContact CD2-CE 3.99Å; L23-M54 HydrophobicContact CG-CE 4.22Å
24G83.3Confident79.6Confident71 Ų71120.1 Ų120.173%0.73260%0.603SS**THydrogen-bonded Turntrans-72.7-20.1176.900000114.9R22R22-G24 PolarHBondContact O-N 3.4Å
25D85.5Confident81.2Confident120 Ų120113.8 Ų113.864%0.64257%0.573SS**THydrogen-bonded Turntrans-91.7-12-177.3-59.2-26.1000112R22 L23R22-D25 WeakPolarHBondContact CB-OD2 3.27Å; R22-D25 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact C-N 3.32Å
26V86.2Confident82.8Confident35 Ų35108.2 Ų108.221%0.21255%0.554CS.*SBendtrans-82.9127.8179.2-173.90000109.8V21 L28 I30 L31V21-V26 HydrophobicContact CB-CG2 4.47Å; V21-V26 HydrophobicContact CG1-CG2 3.72Å; V26-L28 PolarHBondContact O-N 3.1Å; V26-I30 HydrophobicContact CG1-CB 4.07Å; V26-I30 HydrophobicContact CG1-CG2 4.1Å; V26-L31 HydrophobicContact CB-CD1 4Å; V26-L31 HydrophobicContact CB-CD2 4.14Å; V26-L31 HydrophobicContact CB-CG 4.03Å; V26-L31 HydrophobicContact CG1-CD1 4.2Å; V26-L31 HydrophobicContact CG1-CD2 3.94Å; V26-L31 HydrophobicContact CG1-CG 3.72Å; V26-L31 WeakPolarHBondContact O-CD1 3.32Å
27P89Confident84.1Confident78 Ų78108.8 Ų108.851%0.50655%0.554SS.*  trans-51.4135173.5-28.234000112.6D29 I30 L31P27-D29 PolarHBondContact O-N 3.09Å; P27-D29 VanDerWaalsContact O-N 3.11Å; P27-I30 HydrophobicContact CB-CD1 4.28Å; P27-I30 HydrophobicContact CB-CG1 4.32Å; P27-I30 HydrophobicContact CG-CD1 4.1Å; P27-I30 PolarHBondContact O-N 2.93Å; P27-I30 VanDerWaalsContact O-N 3.12Å; P27-L31 PolarHBondContact O-N 3.23Å
28L85.3Confident85.3Confident82 Ų82103.9 Ų103.943%0.42953%0.532SS..Hα-helixtrans-57.3-30.7-177-75.8174.7000113.2V26 L31 R32V26-L28 PolarHBondContact O-N 3.1Å; L28-L31 HydrophobicContact CD2-CD1 4.37Å; L28-L31 PolarHBondContact O-N 2.87Å; L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 WeakPolarHBondContact O-CD 3.14Å; L28-R32 WeakPolarHBondContact O-CG 3.4Å; L28-R32 PolarHBondContact O-N 2.78Å
29D86.9Confident85.8Confident130 Ų130100.1 Ų100.170%0.69552%0.522SS*.Hα-helixtrans-68.9-37.4-178.7-62.8-29.6000112P27 R32 Y33P27-D29 PolarHBondContact O-N 3.09Å; P27-D29 VanDerWaalsContact O-N 3.11Å; D29-R32 CarbonylContact O-C 3.54Å; D29-R32 PolarHBondContact O-N 2.91Å; D29-Y33 PolarHBondContact O-N 3.49Å
30I88.1Confident86.3Confident115 Ų11594.8 Ų94.859%0.5951%0.508SS*.Hα-helixtrans-64-47.9174-61.2178.6000109.5V26 P27 R32 Y33V26-I30 HydrophobicContact CG1-CB 4.07Å; V26-I30 HydrophobicContact CG1-CG2 4.1Å; P27-I30 HydrophobicContact CB-CD1 4.28Å; P27-I30 HydrophobicContact CB-CG1 4.32Å; P27-I30 HydrophobicContact CG-CD1 4.1Å; P27-I30 PolarHBondContact O-N 2.93Å; P27-I30 VanDerWaalsContact O-N 3.12Å; I30-R32 PolarHBondContact O-N 3.29Å; I30-Y33 WeakPolarHBondContact O-CB 3.5Å; I30-Y33 PolarHBondContact O-N 3.19Å
31L86.6Confident86.5Confident40 Ų4090.6 Ų90.621%0.20950%0.498CS..Hα-helixtrans-63.4-26.3179.5-65.1162.2000112.8L23 V26 P27 L28 L50 M54L23-L31 HydrophobicContact CD2-CD2 4.38Å; V26-L31 HydrophobicContact CB-CD1 4Å; V26-L31 HydrophobicContact CB-CD2 4.14Å; V26-L31 HydrophobicContact CB-CG 4.03Å; V26-L31 HydrophobicContact CG1-CD1 4.2Å; V26-L31 HydrophobicContact CG1-CD2 3.94Å; V26-L31 HydrophobicContact CG1-CG 3.72Å; V26-L31 WeakPolarHBondContact O-CD1 3.32Å; P27-L31 PolarHBondContact O-N 3.23Å; L28-L31 HydrophobicContact CD2-CD1 4.37Å; L28-L31 PolarHBondContact O-N 2.87Å; L31-L50 HydrophobicContact CB-CD2 3.97Å; L31-M54 HydrophobicContact CD1-CE 3.3Å; L31-M54 HydrophobicContact CD1-SD 4.36Å; L31-M54 HydrophobicContact CD2-CE 3.7Å; L31-M54 HydrophobicContact CG-CE 4.04Å
32R89Confident86.8Confident70 Ų7091.5 Ų91.526%0.26450%0.496SS..Hα-helixtrans-98.5-3.5-179.1-69.6171.3-177.8-176.25.1113.7L28 D29 I30 N34 I35 S36 L50L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 WeakPolarHBondContact O-CD 3.14Å; L28-R32 WeakPolarHBondContact O-CG 3.4Å; L28-R32 PolarHBondContact O-N 2.78Å; D29-R32 CarbonylContact O-C 3.54Å; D29-R32 PolarHBondContact O-N 2.91Å; I30-R32 PolarHBondContact O-N 3.29Å; R32-N34 VanDerWaalsContact C-N 3.34Å; R32-N34 PolarHBondContact O-N 3.03Å; R32-I35 HydrophobicContact CG-CD1 4.46Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.36Å; R32-I35 WeakPolarHBondContact O-CB 3.42Å; R32-I35 PolarHBondContact O-N 2.93Å; R32-S36 PolarHBondContact O-N 3.39Å; R32-L50 HydrophobicContact CG-CD2 4.02Å
33Y87.1Confident87Confident146 Ų14687.2 Ų87.257%0.57348%0.479SS*.Hα-helixtrans-52.6-52.5-173.1-179.2-104.5000111.5D29 I30 I35 S36D29-Y33 PolarHBondContact O-N 3.49Å; I30-Y33 WeakPolarHBondContact O-CB 3.5Å; I30-Y33 PolarHBondContact O-N 3.19Å; Y33-I35 VanDerWaalsContact C-N 3.33Å; Y33-I35 PolarHBondContact O-N 3.2Å; Y33-S36 PolarHBondContact O-N 2.97Å; Y33-S36 PolarHBondContact O-OG 3.05Å
34N84.1Confident87.3Confident120 Ų12089.8 Ų89.864%0.64249%0.487SS*.Hα-helixtrans-69.1-29.4177.7-65.4-20.2000113.2R32 S36 M37R32-N34 VanDerWaalsContact C-N 3.34Å; R32-N34 PolarHBondContact O-N 3.03Å; N34-S36 VanDerWaalsContact C-N 3.3Å; N34-S36 PolarHBondContact O-N 3.39Å; N34-M37 PolarHBondContact O-N 3Å
35I88.9Confident87.6Confident20 Ų2092.4 Ų92.410%0.10348%0.48CS..Hα-helixtrans-67.7-36.1177.8-61.9175.2000110R32 Y33 M37 Q38 R43 T46 R47 L50R32-I35 HydrophobicContact CG-CD1 4.46Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.36Å; R32-I35 WeakPolarHBondContact O-CB 3.42Å; R32-I35 PolarHBondContact O-N 2.93Å; Y33-I35 VanDerWaalsContact C-N 3.33Å; Y33-I35 PolarHBondContact O-N 3.2Å; I35-M37 PolarHBondContact O-N 3.34Å; I35-Q38 WeakPolarHBondContact O-CB 3.39Å; I35-Q38 PolarHBondContact O-N 3.39Å; I35-Q38 VanDerWaalsContact O-N 3.09Å; I35-R43 HydrophobicContact CG2-CG 3.87Å; I35-R43 WeakPolarHBondContact O-CG 3.42Å; I35-T46 WeakPolarHBondContact CG2-OG1 3.41Å; I35-R47 HydrophobicContact CG2-CB 4.26Å; I35-L50 HydrophobicContact CD1-CB 4.12Å; I35-L50 HydrophobicContact CD1-CD2 3.57Å; I35-L50 HydrophobicContact CD1-CG 4.46Å
36S85Confident87.9Confident61 Ų6188.4 Ų88.443%0.42746%0.46SS..Hα-helixtrans-64.2-20.9-179.378.10000113.6R32 Y33 N34 R43R32-S36 PolarHBondContact O-N 3.39Å; Y33-S36 PolarHBondContact O-N 2.97Å; Y33-S36 PolarHBondContact O-OG 3.05Å; N34-S36 VanDerWaalsContact C-N 3.3Å; N34-S36 PolarHBondContact O-N 3.39Å; S36-R43 PolarHBondContact O-NH1 2.9Å; S36-R43 PolarHBondContact O-NH2 2.77Å
37M88Confident88.1Confident142 Ų14292.6 Ų92.670%0.747%0.472SS*.THydrogen-bonded Turntrans-81.8-17.3176.1-62.2-60.8-149.700113.7N34 I35N34-M37 PolarHBondContact O-N 3Å; I35-M37 PolarHBondContact O-N 3.34Å
38Q89.6Confident88.1Confident65 Ų6594.5 Ų94.530%0.30447%0.472SS..SBendtrans-78.5157.7-176.2-65.4177.4-2300112.7I35 R43 T46I35-Q38 WeakPolarHBondContact O-CB 3.39Å; I35-Q38 PolarHBondContact O-N 3.39Å; I35-Q38 VanDerWaalsContact O-N 3.09Å; Q38-R43 HydrophobicContact CB-CB 4.14Å; Q38-R43 PolarHBondContact O-NE 3.27Å; Q38-R43 PolarHBondContact O-NH2 2.9Å; Q38-T46 VanDerWaalsContact OE1-CB 3.32Å; Q38-T46 PolarHBondContact OE1-OG1 3.46Å
39S87.6Confident88.4Confident76 Ų7693.3 Ų93.353%0.53147%0.471SS..  trans-82160.5179800000112.7V41 E42 R43S39-V41 PolarHBondContact O-N 3.43Å; S39-V41 VanDerWaalsContact O-N 3.1Å; S39-E42 PolarHBondContact O-N 3.08Å; S39-R43 VanDerWaalsContact O-CB 3.32Å; S39-R43 WeakPolarHBondContact O-CB 3.5Å; S39-R43 PolarHBondContact O-N 3.21Å
40G86.4Confident88.6Confident47 Ų4788.3 Ų88.349%0.48544%0.444SS..Hα-helixtrans-50.9-38.8-154.900000119.4K44G40-K44 WeakPolarHBondContact O-CD 3.38Å; G40-K44 VanDerWaalsContact O-CG 3.27Å; G40-K44 WeakPolarHBondContact O-CG 3.41Å; G40-K44 PolarHBondContact O-N 3.02Å
41V87.9Confident88.7Confident101 Ų10185.5 Ų85.561%0.61243%0.43SS*.Hα-helixtrans-78.6-50.9179.6-179.60000110.4S39 R43 K44 E45S39-V41 PolarHBondContact O-N 3.43Å; S39-V41 VanDerWaalsContact O-N 3.1Å; V41-R43 VanDerWaalsContact C-N 3.29Å; V41-R43 PolarHBondContact O-N 2.66Å; V41-K44 WeakPolarHBondContact O-CB 3.2Å; V41-K44 PolarHBondContact O-N 2.84Å; V41-E45 PolarHBondContact O-N 3.12Å
42E88.6Confident88.8Confident112 Ų11287 Ų8752%0.52344%0.438SS..Hα-helixtrans-56.5-45.2177.1-63.2174164.700110.8S39 K44 E45 T46S39-E42 PolarHBondContact O-N 3.08Å; E42-K44 VanDerWaalsContact C-N 3.27Å; E42-K44 PolarHBondContact O-N 2.71Å; E42-E45 PolarHBondContact O-N 3.48Å; E42-E45 VanDerWaalsContact O-N 3.12Å; E42-T46 WeakPolarHBondContact O-CG2 3.27Å; E42-T46 PolarHBondContact O-N 3.24Å; E42-T46 PolarHBondContact O-OG1 3.48Å
43R91Very high88.8Confident107 Ų10791.5 Ų91.540%0.40446%0.459SS..Hα-helixtrans-55.2-40.7175.1-175.1-175.6-58.2-162.43.4112.5I35 S36 Q38 S39 V41 T46 R47I35-R43 HydrophobicContact CG2-CG 3.87Å; I35-R43 WeakPolarHBondContact O-CG 3.42Å; S36-R43 PolarHBondContact O-NH1 2.9Å; S36-R43 PolarHBondContact O-NH2 2.77Å; Q38-R43 HydrophobicContact CB-CB 4.14Å; Q38-R43 PolarHBondContact O-NE 3.27Å; Q38-R43 PolarHBondContact O-NH2 2.9Å; S39-R43 VanDerWaalsContact O-CB 3.32Å; S39-R43 WeakPolarHBondContact O-CB 3.5Å; S39-R43 PolarHBondContact O-N 3.21Å; V41-R43 VanDerWaalsContact C-N 3.29Å; V41-R43 PolarHBondContact O-N 2.66Å; R43-T46 PolarHBondContact O-OG1 3.05Å; R43-R47 WeakPolarHBondContact O-CB 3.28Å; R43-R47 PolarHBondContact O-N 3.1Å; R43-R47 VanDerWaalsContact O-N 3.08Å
44K89.1Confident88.9Confident147 Ų14787.1 Ų87.164%0.63945%0.445SS*.Hα-helixtrans-69.9-40.9179.2-75.5171.7-175.9178.50110.9G40 V41 E42 K48G40-K44 WeakPolarHBondContact O-CD 3.38Å; G40-K44 VanDerWaalsContact O-CG 3.27Å; G40-K44 WeakPolarHBondContact O-CG 3.41Å; G40-K44 PolarHBondContact O-N 3.02Å; V41-K44 WeakPolarHBondContact O-CB 3.2Å; V41-K44 PolarHBondContact O-N 2.84Å; E42-K44 VanDerWaalsContact C-N 3.27Å; E42-K44 PolarHBondContact O-N 2.71Å; K44-K48 VanDerWaalsContact O-CB 3.28Å; K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 3.04Å
45E89.9Confident89.1Confident126 Ų12684.6 Ų84.659%0.58945%0.446SS*.Hα-helixtrans-70-43.8-179.8-68.6-177.817400112.4V41 E42 K48 S49V41-E45 PolarHBondContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 3.48Å; E42-E45 VanDerWaalsContact O-N 3.12Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-S49 PolarHBondContact O-N 3.47Å; E45-S49 PolarHBondContact O-OG 2.97Å
46T91.3Very high89.1Confident37 Ų3785.8 Ų85.823%0.22746%0.459CS..Hα-helixtrans-66.8-39.6175.956.20000112I35 Q38 E42 R43 K48 S49 L50I35-T46 WeakPolarHBondContact CG2-OG1 3.41Å; Q38-T46 VanDerWaalsContact OE1-CB 3.32Å; Q38-T46 PolarHBondContact OE1-OG1 3.46Å; E42-T46 WeakPolarHBondContact O-CG2 3.27Å; E42-T46 PolarHBondContact O-N 3.24Å; E42-T46 PolarHBondContact O-OG1 3.48Å; R43-T46 PolarHBondContact O-OG1 3.05Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 2.87Å; T46-S49 WeakPolarHBondContact CA-OG 3.5Å; T46-S49 PolarHBondContact O-N 2.93Å; T46-S49 PolarHBondContact O-OG 3.07Å; T46-L50 WeakPolarHBondContact O-CB 3.44Å; T46-L50 PolarHBondContact O-N 3.09Å
47R91Very high89.4Confident123 Ų12392.4 Ų92.446%0.46448%0.48SS..Hα-helixtrans-61.9-42.2172-170.1175.372.2171.44.3111.6I35 R43 L51I35-R47 HydrophobicContact CG2-CB 4.26Å; R43-R47 WeakPolarHBondContact O-CB 3.28Å; R43-R47 PolarHBondContact O-N 3.1Å; R43-R47 VanDerWaalsContact O-N 3.08Å; R47-L51 HydrophobicContact CG-CD1 4.29Å; R47-L51 VanDerWaalsContact O-CG 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.38Å; R47-L51 PolarHBondContact O-N 3.42Å
48K89.4Confident89.4Confident118 Ų11894 Ų9451%0.51348%0.484SS..Hα-helixtrans-63.4-44.1177.6-177.2-177.4177.4-173.30111.2K44 E45 T46 L51 L52K44-K48 VanDerWaalsContact O-CB 3.28Å; K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 3.04Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 2.96Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 2.87Å; K48-L51 PolarHBondContact O-N 3.48Å; K48-L52 HydrophobicContact CG-CD1 4.39Å; K48-L52 WeakPolarHBondContact O-CG 3.34Å; K48-L52 PolarHBondContact O-N 3.36Å; K48-L52 VanDerWaalsContact O-N 3.1Å
49S90.2Very high89.1Confident56 Ų5694.6 Ų94.639%0.39249%0.493SS..Hα-helixtrans-67.6-40.4179.470.60000112.2E45 T46 L52 K53E45-S49 PolarHBondContact O-N 3.47Å; E45-S49 PolarHBondContact O-OG 2.97Å; T46-S49 WeakPolarHBondContact CA-OG 3.5Å; T46-S49 PolarHBondContact O-N 2.93Å; T46-S49 PolarHBondContact O-OG 3.07Å; S49-L52 PolarHBondContact O-N 2.85Å; S49-K53 WeakPolarHBondContact O-CG 3.28Å; S49-K53 PolarHBondContact O-N 2.94Å
50L91.2Very high88.9Confident26 Ų26100.2 Ų100.214%0.13651%0.508CS..Hα-helixtrans-58.6-50.4173.5177.164.5000111.3L31 R32 I35 T46 L52 K53 M54L31-L50 HydrophobicContact CB-CD2 3.97Å; R32-L50 HydrophobicContact CG-CD2 4.02Å; I35-L50 HydrophobicContact CD1-CB 4.12Å; I35-L50 HydrophobicContact CD1-CD2 3.57Å; I35-L50 HydrophobicContact CD1-CG 4.46Å; T46-L50 WeakPolarHBondContact O-CB 3.44Å; T46-L50 PolarHBondContact O-N 3.09Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.35Å; L50-K53 WeakPolarHBondContact O-CB 3.44Å; L50-K53 PolarHBondContact O-N 3.4Å; L50-K53 VanDerWaalsContact O-N 3.09Å; L50-M54 HydrophobicContact CD1-CE 3.75Å; L50-M54 HydrophobicContact CD1-CG 4.48Å; L50-M54 VanDerWaalsContact O-CG 3.28Å; L50-M54 WeakPolarHBondContact O-CG 3.44Å; L50-M54 PolarHBondContact O-N 3.33Å
51L89.9Confident88.6Confident56 Ų56104.7 Ų104.729%0.29352%0.52SS..Hα-helixtrans-60.5-38.6179.7-72.4173.4000112.2R47 K48 M54 G55 A56R47-L51 HydrophobicContact CG-CD1 4.29Å; R47-L51 VanDerWaalsContact O-CG 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.38Å; R47-L51 PolarHBondContact O-N 3.42Å; K48-L51 PolarHBondContact O-N 3.48Å; L51-M54 CarbonylContact O-C 3.6Å; L51-M54 WeakPolarHBondContact O-CB 3.49Å; L51-M54 PolarHBondContact O-N 3.09Å; L51-M54 VanDerWaalsContact O-N 3.17Å; L51-G55 PolarHBondContact O-N 3.21Å; L51-A56 HydrophobicContact CB-CB 3.91Å; L51-A56 WeakPolarHBondContact O-CB 3.06Å; L51-A56 PolarHBondContact O-N 3.22Å
52L90.5Very high88.1Confident71 Ų71104.6 Ų104.637%0.37252%0.522SS..Hα-helixtrans-63.8-39.5175-72.2170.1000112.2K48 S49 L50 M54 G55 K58K48-L52 HydrophobicContact CG-CD1 4.39Å; K48-L52 WeakPolarHBondContact O-CG 3.34Å; K48-L52 PolarHBondContact O-N 3.36Å; K48-L52 VanDerWaalsContact O-N 3.1Å; S49-L52 PolarHBondContact O-N 2.85Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.35Å; L52-M54 PolarHBondContact O-N 3.33Å; L52-G55 PolarHBondContact O-N 2.94Å; L52-G55 VanDerWaalsContact O-N 3.15Å; L52-K58 HydrophobicContact CD2-CG 4.15Å
53K88.9Confident87.8Confident165 Ų165109.1 Ų109.172%0.71754%0.536SS*.Hα-helixtrans-63.5-31.9173.1-70178.3-179.9-1780112.2S49 L50 G55S49-K53 WeakPolarHBondContact O-CG 3.28Å; S49-K53 PolarHBondContact O-N 2.94Å; L50-K53 WeakPolarHBondContact O-CB 3.44Å; L50-K53 PolarHBondContact O-N 3.4Å; L50-K53 VanDerWaalsContact O-N 3.09Å; K53-G55 PolarHBondContact O-N 3.38Å
54M87.9Confident87.3Confident54 Ų54108.7 Ų108.727%0.26654%0.541SS..THydrogen-bonded Turntrans-77.64175.8-62.8-70.2172.900114L23 L31 L50 L51 L52L23-M54 HydrophobicContact CB-CE 3.69Å; L23-M54 HydrophobicContact CB-SD 3.61Å; L23-M54 HydrophobicContact CD1-CE 4.31Å; L23-M54 HydrophobicContact CD2-CE 3.99Å; L23-M54 HydrophobicContact CG-CE 4.22Å; L31-M54 HydrophobicContact CD1-CE 3.3Å; L31-M54 HydrophobicContact CD1-SD 4.36Å; L31-M54 HydrophobicContact CD2-CE 3.7Å; L31-M54 HydrophobicContact CG-CE 4.04Å; L50-M54 HydrophobicContact CD1-CE 3.75Å; L50-M54 HydrophobicContact CD1-CG 4.48Å; L50-M54 VanDerWaalsContact O-CG 3.28Å; L50-M54 WeakPolarHBondContact O-CG 3.44Å; L50-M54 PolarHBondContact O-N 3.33Å; L51-M54 CarbonylContact O-C 3.6Å; L51-M54 WeakPolarHBondContact O-CB 3.49Å; L51-M54 PolarHBondContact O-N 3.09Å; L51-M54 VanDerWaalsContact O-N 3.17Å; L52-M54 PolarHBondContact O-N 3.33Å
55G88.8Confident87.3Confident66 Ų66104 Ų10468%0.6852%0.522SS*.THydrogen-bonded Turntrans84.915.1179.600000114.6L51 L52 K53L51-G55 PolarHBondContact O-N 3.21Å; L52-G55 PolarHBondContact O-N 2.94Å; L52-G55 VanDerWaalsContact O-N 3.15Å; K53-G55 PolarHBondContact O-N 3.38Å
56A89.3Confident87.3Confident45 Ų45105.8 Ų105.837%0.37253%0.525SS..PPolyproline II helixtrans-60.7147.4171.100000111.2L51 K58L51-A56 HydrophobicContact CB-CB 3.91Å; L51-A56 WeakPolarHBondContact O-CB 3.06Å; L51-A56 PolarHBondContact O-N 3.22Å; A56-K58 PolarHBondContact O-N 3.17Å
57K90.1Very high87.4Confident200 Ų200111.7 Ų111.787%0.8755%0.547SS*.PPolyproline II helixtrans-60.6136.1178.4-68.9-179.9179.8173.50110.5
58K88Confident87.4Confident177 Ų177110.8 Ų110.877%0.7755%0.548SS*.PPolyproline II helixtrans-58.4142.3172.6-67-179.5-178.6177.60109.8L52 A56 K60L52-K58 HydrophobicContact CD2-CG 4.15Å; A56-K58 PolarHBondContact O-N 3.17Å; K58-K60 PolarHBondContact O-N 3.15Å
59P84.9Confident87.6Confident76 Ų76107.3 Ų107.349%0.49454%0.535SS..PPolyproline II helixtrans-59.6126.3176.225.6-33.4000109.2N61P59-N61 PolarHBondContact O-N 3.31Å
60K83.2Confident87.8Confident195 Ų195108.2 Ų108.285%0.84853%0.534SS*.SBendtrans-64.5-41.9-174.1-72.7-174177-1770112.2K58K58-K60 PolarHBondContact O-N 3.15Å
61N78.4Confident87.9Confident140 Ų140112.1 Ų112.175%0.74955%0.552SS**SBendtrans-148.4130.6175.4-70.2-47.4000108.2P59P59-N61 PolarHBondContact O-N 3.31Å
62P79.4Confident88.1Confident99 Ų99114 Ų11464%0.64356%0.562SS**  trans-59.7148.5167.727.7-32.5000109.1I64P62-I64 PolarHBondContact O-N 3.41Å
63Y80.2Confident88.2Confident208 Ų208116.8 Ų116.882%0.81657%0.571SS**  trans-58.6132.8167.3172.2-96.6000108.5N65Y63-N65 HydrophobicContact CE1-CB 4.2Å
64I82.2Confident88.5Confident98 Ų98113.2 Ų113.250%0.50356%0.563SS.*  trans-122.5121.5175.2-53.9171.6000107.2P62 Y66 L69P62-I64 PolarHBondContact O-N 3.41Å; I64-Y66 PolarHBondContact O-N 3.35Å; I64-L69 HydrophobicContact CD1-CD1 4.36Å; I64-L69 HydrophobicContact CG2-CB 3.74Å; I64-L69 HydrophobicContact CG2-CD1 3.86Å; I64-L69 HydrophobicContact CG2-CG 4.41Å
65N89.1Confident88.7Confident48 Ų48116.5 Ų116.526%0.25758%0.576SS.*  trans-64.7117.9170.1178.8-9.3000108.6Y63 K67 E68 L69Y63-N65 HydrophobicContact CE1-CB 4.2Å; N65-K67 PolarHBondContact O-N 2.92Å; N65-K67 PolarHBondContact OD1-N 3.09Å; N65-K67 VanDerWaalsContact OD1-N 3.09Å; N65-E68 HydrophobicContact CB-CB 4.09Å; N65-E68 HydrophobicContact CB-CG 4.01Å; N65-E68 PolarHBondContact ND2-OE1 3.41Å; N65-E68 PolarHBondContact O-N 3.02Å; N65-E68 VanDerWaalsContact O-N 3.09Å; N65-L69 PolarHBondContact O-N 3.01Å
66Y89.8Confident88.9Confident164 Ų164115.9 Ų115.964%0.64357%0.565SS**Hα-helixtrans-57.9-36.1-175.9-176.5-101.6000112.5I64 L69 M70I64-Y66 PolarHBondContact O-N 3.35Å; Y66-L69 HydrophobicContact CD2-CD2 4.44Å; Y66-L69 HydrophobicContact CE2-CD2 4.46Å; Y66-L69 PolarHBondContact O-N 3.35Å; Y66-M70 HydrophobicContact CD1-CG 4.21Å; Y66-M70 HydrophobicContact CE1-CG 3.76Å; Y66-M70 HydrophobicContact CE2-CG 4.25Å; Y66-M70 HydrophobicContact CE2-SD 4.33Å; Y66-M70 WeakPolarHBondContact O-CG 3.35Å; Y66-M70 PolarHBondContact O-N 3.23Å
67K92.1Very high89.1Confident160 Ų160120.2 Ų120.270%0.69658%0.575SS**Hα-helixtrans-63.1-45.6177.4-66.3-175.6178.5-178.80111.1N65 M70 Q71N65-K67 PolarHBondContact O-N 2.92Å; N65-K67 PolarHBondContact OD1-N 3.09Å; N65-K67 VanDerWaalsContact OD1-N 3.09Å; K67-M70 PolarHBondContact O-N 3.44Å; K67-Q71 WeakPolarHBondContact O-CG 3.47Å; K67-Q71 PolarHBondContact O-N 2.86Å
68E92.8Very high89.1Confident104 Ų104113.4 Ų113.449%0.48656%0.556SS.*Hα-helixtrans-66.1-39.5176.9-69.5166.2-151.300111.7N65 M70 Q71 N72N65-E68 HydrophobicContact CB-CB 4.09Å; N65-E68 HydrophobicContact CB-CG 4.01Å; N65-E68 PolarHBondContact ND2-OE1 3.41Å; N65-E68 PolarHBondContact O-N 3.02Å; N65-E68 VanDerWaalsContact O-N 3.09Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.01Å; E68-Q71 PolarHBondContact O-N 3.48Å; E68-N72 WeakPolarHBondContact O-CB 3.39Å; E68-N72 VanDerWaalsContact O-CG 3.25Å; E68-N72 PolarHBondContact O-N 2.67Å; E68-N72 PolarHBondContact O-ND2 3.49Å
69L91.9Very high89.2Confident46 Ų46111.3 Ų111.324%0.24155%0.549CS..Hα-helixtrans-58.8-43.9175.1177.3140.1000111.8I64 N65 Y66 N72 K73I64-L69 HydrophobicContact CD1-CD1 4.36Å; I64-L69 HydrophobicContact CG2-CB 3.74Å; I64-L69 HydrophobicContact CG2-CD1 3.86Å; I64-L69 HydrophobicContact CG2-CG 4.41Å; N65-L69 PolarHBondContact O-N 3.01Å; Y66-L69 HydrophobicContact CD2-CD2 4.44Å; Y66-L69 HydrophobicContact CE2-CD2 4.46Å; Y66-L69 PolarHBondContact O-N 3.35Å; L69-N72 PolarHBondContact O-N 3.3Å; L69-K73 HydrophobicContact CD2-CD 3.99Å; L69-K73 WeakPolarHBondContact O-CG 3.37Å; L69-K73 PolarHBondContact O-N 2.96Å
70M95.2Very high89.3Confident75 Ų75110.5 Ų110.537%0.36955%0.549SS..Hα-helixtrans-68.5-42.1178.4-69.3-56.3-65.200111.6Y66 K67 E68 N72 K73 T74Y66-M70 HydrophobicContact CD1-CG 4.21Å; Y66-M70 HydrophobicContact CE1-CG 3.76Å; Y66-M70 HydrophobicContact CE2-CG 4.25Å; Y66-M70 HydrophobicContact CE2-SD 4.33Å; Y66-M70 WeakPolarHBondContact O-CG 3.35Å; Y66-M70 PolarHBondContact O-N 3.23Å; K67-M70 PolarHBondContact O-N 3.44Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.01Å; M70-N72 VanDerWaalsContact C-N 3.34Å; M70-N72 PolarHBondContact O-N 3.23Å; M70-K73 PolarHBondContact O-N 3.29Å; M70-K73 HydrophobicContact SD-CD 4.27Å; M70-T74 WeakPolarHBondContact O-CG2 3.34Å; M70-T74 PolarHBondContact O-N 2.95Å; M70-T74 PolarHBondContact O-OG1 3.35Å
71Q94Very high89.4Confident108 Ų108106.5 Ų106.551%0.50553%0.533SS..Hα-helixtrans-59.3-44.6174.2-73.3176.6-2.200111.9K67 E68 K73 T74 K75K67-Q71 WeakPolarHBondContact O-CG 3.47Å; K67-Q71 PolarHBondContact O-N 2.86Å; E68-Q71 PolarHBondContact O-N 3.48Å; Q71-K73 PolarHBondContact O-N 3.45Å; Q71-T74 WeakPolarHBondContact CA-OG1 3.39Å; Q71-T74 PolarHBondContact O-N 3.49Å; Q71-T74 PolarHBondContact O-OG1 3.06Å; Q71-K75 WeakPolarHBondContact O-CG 3.4Å; Q71-K75 PolarHBondContact O-N 3.46Å
72N93.2Very high89.5Confident96 Ų96102.3 Ų102.351%0.51352%0.518SS..Hα-helixtrans-66.1-38.8178.2-70.2-14.9000112E68 L69 M70 T74 K75 A76E68-N72 WeakPolarHBondContact O-CB 3.39Å; E68-N72 VanDerWaalsContact O-CG 3.25Å; E68-N72 PolarHBondContact O-N 2.67Å; E68-N72 PolarHBondContact O-ND2 3.49Å; L69-N72 PolarHBondContact O-N 3.3Å; M70-N72 VanDerWaalsContact C-N 3.34Å; M70-N72 PolarHBondContact O-N 3.23Å; N72-T74 VanDerWaalsContact C-N 3.33Å; N72-T74 PolarHBondContact O-N 3.28Å; N72-K75 PolarHBondContact O-N 3.39Å; N72-A76 WeakPolarHBondContact O-CB 3.42Å; N72-A76 PolarHBondContact O-N 3.08Å
73K93.6Very high89.3Confident129 Ų129102.9 Ų102.956%0.56151%0.51SS*.Hα-helixtrans-60.8-41.8172.5-78.4-178.5175.6-176.20112.1L69 M70 Q71 K77L69-K73 HydrophobicContact CD2-CD 3.99Å; L69-K73 WeakPolarHBondContact O-CG 3.37Å; L69-K73 PolarHBondContact O-N 2.96Å; M70-K73 PolarHBondContact O-N 3.29Å; M70-K73 HydrophobicContact SD-CD 4.27Å; Q71-K73 PolarHBondContact O-N 3.45Å; K73-K77 WeakPolarHBondContact O-CB 3.36Å; K73-K77 PolarHBondContact O-N 3.47Å; K73-K77 VanDerWaalsContact O-N 3.08Å
74T93.6Very high89Confident90 Ų9095.6 Ų95.655%0.55249%0.494SS*.Hα-helixtrans-66.1-4217752.90000112.3M70 Q71 N72 K77 A78M70-T74 WeakPolarHBondContact O-CG2 3.34Å; M70-T74 PolarHBondContact O-N 2.95Å; M70-T74 PolarHBondContact O-OG1 3.35Å; Q71-T74 WeakPolarHBondContact CA-OG1 3.39Å; Q71-T74 PolarHBondContact O-N 3.49Å; Q71-T74 PolarHBondContact O-OG1 3.06Å; N72-T74 VanDerWaalsContact C-N 3.33Å; N72-T74 PolarHBondContact O-N 3.28Å; T74-K77 PolarHBondContact O-N 2.98Å; T74-A78 PolarHBondContact O-N 2.89Å
75K93.6Very high88.3Confident122 Ų12297.8 Ų97.853%0.5350%0.5SS..Hα-helixtrans-63.1-48.2176-72177.5179.3-179.90111.9Q71 N72 K77 A78 E79Q71-K75 WeakPolarHBondContact O-CG 3.4Å; Q71-K75 PolarHBondContact O-N 3.46Å; N72-K75 PolarHBondContact O-N 3.39Å; K75-K77 VanDerWaalsContact C-N 3.27Å; K75-K77 PolarHBondContact O-N 2.9Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-A78 VanDerWaalsContact O-N 3.13Å; K75-E79 WeakPolarHBondContact O-CG 3.47Å; K75-E79 PolarHBondContact O-N 3.13Å
76A92.9Very high87.1Confident54 Ų54100.2 Ų100.245%0.44651%0.513SS..Hα-helixtrans-60.9-35.7178.500000112.6N72 A80N72-A76 WeakPolarHBondContact O-CB 3.42Å; N72-A76 PolarHBondContact O-N 3.08Å; A76-A80 VanDerWaalsContact O-CB 3.32Å; A76-A80 WeakPolarHBondContact O-CB 3.41Å; A76-A80 PolarHBondContact O-N 2.93Å
77K92.7Very high85.8Confident136 Ų136100 Ų10059%0.59151%0.511SS*.Hα-helixtrans-66.9-45.5174.6-167.6-176.2-178.6-158.20111.5K73 T74 K75 A80 E81K73-K77 WeakPolarHBondContact O-CB 3.36Å; K73-K77 PolarHBondContact O-N 3.47Å; K73-K77 VanDerWaalsContact O-N 3.08Å; T74-K77 PolarHBondContact O-N 2.98Å; K75-K77 VanDerWaalsContact C-N 3.27Å; K75-K77 PolarHBondContact O-N 2.9Å; K77-A80 PolarHBondContact O-N 3.29Å; K77-E81 WeakPolarHBondContact CE-OE1 3.43Å; K77-E81 IonicContact NZ-OE1 3.76Å; K77-E81 WeakPolarHBondContact O-CB 3.49Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 3.36Å
78A89.8Confident84.4Confident57 Ų5795.5 Ų95.547%0.47150%0.5SS..Hα-helixtrans-62.8-41.2176.900000112.2T74 K75 E81 A82T74-A78 PolarHBondContact O-N 2.89Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-A78 VanDerWaalsContact O-N 3.13Å; A78-E81 PolarHBondContact O-N 2.99Å; A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.87Å
79E90.3Very high82.8Confident133 Ų13393.1 Ų93.162%0.62150%0.498SS*.Hα-helixtrans-63.4-42.3174.9-72.9169-162.600112K75 A82 F83K75-E79 WeakPolarHBondContact O-CG 3.47Å; K75-E79 PolarHBondContact O-N 3.13Å; E79-A82 PolarHBondContact O-N 3.46Å; E79-F83 VanDerWaalsContact O-CB 3.29Å; E79-F83 WeakPolarHBondContact O-CB 3.46Å; E79-F83 PolarHBondContact O-N 2.9Å
80A87.4Confident81.2Confident59 Ų5995.7 Ų95.749%0.48852%0.52SS..Hα-helixtrans-65.9-37.9175.800000112.6A76 K77 A84A76-A80 VanDerWaalsContact O-CB 3.32Å; A76-A80 WeakPolarHBondContact O-CB 3.41Å; A76-A80 PolarHBondContact O-N 2.93Å; K77-A80 PolarHBondContact O-N 3.29Å; A80-A84 WeakPolarHBondContact O-CB 3.16Å; A80-A84 PolarHBondContact O-N 3.37Å
81E85.4Confident79.5Confident111 Ų111100.6 Ų100.652%0.51954%0.539SS..Hα-helixtrans-67.7-43.5175.2-74.8173-170.500111.6K77 A78 F83 A84 F85K77-E81 WeakPolarHBondContact CE-OE1 3.43Å; K77-E81 IonicContact NZ-OE1 3.76Å; K77-E81 WeakPolarHBondContact O-CB 3.49Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 3.36Å; A78-E81 PolarHBondContact O-N 2.99Å; E81-F83 PolarHBondContact O-N 3.22Å; E81-A84 PolarHBondContact O-N 2.88Å; E81-F85 WeakPolarHBondContact O-CB 3.34Å; E81-F85 PolarHBondContact O-N 3.44Å
82A81.4Confident77.7Confident52 Ų52100.3 Ų100.343%0.4354%0.544SS..Hα-helixtrans-60.7-44.4173.300000111.4A78 E79 A84 F85 D86A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.87Å; E79-A82 PolarHBondContact O-N 3.46Å; A82-A84 VanDerWaalsContact C-N 3.35Å; A82-A84 PolarHBondContact O-N 2.88Å; A82-F85 WeakPolarHBondContact O-CB 3.38Å; A82-F85 PolarHBondContact O-N 3.28Å; A82-D86 PolarHBondContact O-N 3.49Å
83F75.1Confident76.1Confident110 Ų110101.2 Ų101.248%0.48255%0.549SS..Hα-helixtrans-65.6-35.8176.8-177.2-109.4000113.1E79 E81 R87E79-F83 VanDerWaalsContact O-CB 3.29Å; E79-F83 WeakPolarHBondContact O-CB 3.46Å; E79-F83 PolarHBondContact O-N 2.9Å; E81-F83 PolarHBondContact O-N 3.22Å; F83-R87 HydrophobicContact CE1-CG 4.39Å; F83-R87 VanDerWaalsContact CE1-NH2 3.3Å; F83-R87 HydrophobicContact CZ-CG 4.39Å; F83-R87 VanDerWaalsContact CZ-NE 3.29Å; F83-R87 WeakPolarHBondContact O-CB 3.29Å; F83-R87 PolarHBondContact O-N 2.89Å
84A72.5Confident74.4Confident56 Ų56105.1 Ų105.146%0.46357%0.566SS.*Hα-helixtrans-68.1-39.1173.500000111.6A80 E81 A82 R87 S88A80-A84 WeakPolarHBondContact O-CB 3.16Å; A80-A84 PolarHBondContact O-N 3.37Å; E81-A84 PolarHBondContact O-N 2.88Å; A82-A84 VanDerWaalsContact C-N 3.35Å; A82-A84 PolarHBondContact O-N 2.88Å; A84-R87 PolarHBondContact O-N 2.72Å; A84-S88 WeakPolarHBondContact O-CB 3.34Å; A84-S88 PolarHBondContact O-N 2.86Å; A84-S88 PolarHBondContact O-OG 3.41Å
85F67.5Low72.7Confident143 Ų143109.1 Ų109.163%0.62758%0.576SS**Hα-helixtrans-61.4-50.3173.6-178.1-97.7000111E81 A82 R87 S88 A89E81-F85 WeakPolarHBondContact O-CB 3.34Å; E81-F85 PolarHBondContact O-N 3.44Å; A82-F85 WeakPolarHBondContact O-CB 3.38Å; A82-F85 PolarHBondContact O-N 3.28Å; F85-R87 PolarHBondContact O-N 3.48Å; F85-S88 PolarHBondContact O-N 2.87Å; F85-S88 PolarHBondContact O-OG 2.82Å; F85-A89 WeakPolarHBondContact O-CB 3.38Å; F85-A89 PolarHBondContact O-N 3.49Å
86D64.5Low70.9Confident100 Ų100109 Ų10954%0.53558%0.581SS.*Hα-helixtrans-61.7-41.4177.7-73.8-19.7000112.3A82 S88 A89 S90A82-D86 PolarHBondContact O-N 3.49Å; D86-S88 PolarHBondContact O-N 3.37Å; D86-A89 PolarHBondContact O-N 3.06Å; D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.14Å; D86-S90 PolarHBondContact O-OG 2.94Å; D86-S90 VanDerWaalsContact O-OG 3.14Å
87R63.5Low69.4Low159 Ų159110 Ų11060%0.658%0.582SS**Hα-helixtrans-60.7-44.9171.8-87.8-171.1179.1170.52.1111.5F83 A84 F85 S90 F91F83-R87 HydrophobicContact CE1-CG 4.39Å; F83-R87 VanDerWaalsContact CE1-NH2 3.3Å; F83-R87 HydrophobicContact CZ-CG 4.39Å; F83-R87 VanDerWaalsContact CZ-NE 3.29Å; F83-R87 WeakPolarHBondContact O-CB 3.29Å; F83-R87 PolarHBondContact O-N 2.89Å; A84-R87 PolarHBondContact O-N 2.72Å; F85-R87 PolarHBondContact O-N 3.48Å; R87-S90 WeakPolarHBondContact CA-OG 3.45Å; R87-S90 PolarHBondContact O-N 3.41Å; R87-S90 PolarHBondContact O-OG 2.85Å; R87-F91 VanDerWaalsContact O-CB 3.24Å; R87-F91 WeakPolarHBondContact O-CB 3.46Å; R87-F91 PolarHBondContact O-N 3.32Å
88S61Low67.7Low66 Ų66110.5 Ų110.546%0.46259%0.591SS.*Hα-helixtrans-66.7-37.4-179.874.20000112.3A84 F85 D86 F91 V92A84-S88 WeakPolarHBondContact O-CB 3.34Å; A84-S88 PolarHBondContact O-N 2.86Å; A84-S88 PolarHBondContact O-OG 3.41Å; F85-S88 PolarHBondContact O-N 2.87Å; F85-S88 PolarHBondContact O-OG 2.82Å; D86-S88 PolarHBondContact O-N 3.37Å; S88-F91 CarbonylContact O-C 3.6Å; S88-F91 PolarHBondContact O-N 3.23Å; S88-V92 WeakPolarHBondContact O-CG2 3.24Å; S88-V92 PolarHBondContact O-N 3.23Å
89A60Low66.2Low54 Ų54116.8 Ų116.845%0.44661%0.607SS.*Hα-helixtrans-66.5-42.6174.900000111.3F85 D86 F91 V92F85-A89 WeakPolarHBondContact O-CB 3.38Å; F85-A89 PolarHBondContact O-N 3.49Å; D86-A89 PolarHBondContact O-N 3.06Å; A89-F91 VanDerWaalsContact C-N 3.27Å; A89-F91 PolarHBondContact O-N 3.42Å; A89-V92 PolarHBondContact O-N 2.87Å
90S59Low64.6Low100 Ų100115.7 Ų115.770%0.69960%0.602SS**Hα-helixtrans-70.1-22.9173.870.10000113.3D86 R87 V92D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.14Å; D86-S90 PolarHBondContact O-OG 2.94Å; D86-S90 VanDerWaalsContact O-OG 3.14Å; R87-S90 WeakPolarHBondContact CA-OG 3.45Å; R87-S90 PolarHBondContact O-N 3.41Å; R87-S90 PolarHBondContact O-OG 2.85Å; S90-V92 VanDerWaalsContact C-N 3.35Å
91F58.9Low63.1Low178 Ų178115.6 Ų115.678%0.78160%0.601SS**THydrogen-bonded Turntrans-86.5-2177-154.3-95.8000113.4R87 S88 A89 N93R87-F91 VanDerWaalsContact O-CB 3.24Å; R87-F91 WeakPolarHBondContact O-CB 3.46Å; R87-F91 PolarHBondContact O-N 3.32Å; S88-F91 CarbonylContact O-C 3.6Å; S88-F91 PolarHBondContact O-N 3.23Å; A89-F91 VanDerWaalsContact C-N 3.27Å; A89-F91 PolarHBondContact O-N 3.42Å; F91-N93 PolarHBondContact O-N 2.72Å
92V56.4Low61.7Low101 Ų101118.1 Ų118.161%0.61261%0.611SS**SBendtrans-65.889.2169.2-1770000109.1S88 A89 S90S88-V92 WeakPolarHBondContact O-CG2 3.24Å; S88-V92 PolarHBondContact O-N 3.23Å; A89-V92 PolarHBondContact O-N 2.87Å; S90-V92 VanDerWaalsContact C-N 3.35Å
93N58.4Low60.6Low115 Ų115120 Ų12062%0.61562%0.617SS**  trans47.882151.2-62.6-56.6000115.4F91 K95F91-N93 PolarHBondContact O-N 2.72Å; N93-K95 HydrophobicContact CB-CG 3.87Å; N93-K95 PolarHBondContact O-N 2.75Å
94K58.6Low59.7Low212 Ų212122.5 Ų122.592%0.92263%0.627SS**  trans-59.781.8131.6-70.5-171.5-178.5-179.70106.5L96K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 2.78Å
95K57.2Low58.9Low174 Ų174130 Ų13076%0.75764%0.644SS**  trans-57.697.9170-78-163.8179.5175.70105.6N93N93-K95 HydrophobicContact CB-CG 3.87Å; N93-K95 PolarHBondContact O-N 2.75Å
96L56.4Low58.4Low120 Ų120131.1 Ų131.163%0.62865%0.648SS**  trans-52.3124.5154.8-86.4158.6000105.1K94 L98 Q100K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 2.78Å; L96-L98 PolarHBondContact O-N 2.8Å; L96-Q100 VanDerWaalsContact CD2-OE1 3.31Å
97P60.9Low58.1Low73 Ų73131.2 Ų131.247%0.47465%0.649SS.*  trans-52.8131.9-179.617.5-27.7000107.9K99 Q100P97-K99 PolarHBondContact O-N 3.18Å; P97-Q100 HydrophobicContact CG-CG 4.22Å; P97-Q100 PolarHBondContact O-N 2.8Å
98L57.1Low57.8Low147 Ų147133.3 Ų133.377%0.7766%0.657SS**Hα-helixtrans-50.3-22.1-174.6-75.8163.4000113L96 Q100 A101L96-L98 PolarHBondContact O-N 2.8Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.47Å; L98-A101 PolarHBondContact O-N 3.46Å
99K58Low57.6Low189 Ų189137.7 Ų137.782%0.82267%0.67SS**Hα-helixtrans-62.2-30.6173.2-67-172.3176.2-177.90114P97P97-K99 PolarHBondContact O-N 3.18Å
100Q57.9Low57.5Low110 Ų110143.5 Ų143.551%0.51469%0.685SS.*Hα-helixtrans-89.9-20.5179.2-65.6-1783.100113.6L96 P97 L98 T103L96-Q100 VanDerWaalsContact CD2-OE1 3.31Å; P97-Q100 HydrophobicContact CG-CG 4.22Å; P97-Q100 PolarHBondContact O-N 2.8Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.47Å; Q100-T103 PolarHBondContact O-OG1 3.09Å; Q100-T103 VanDerWaalsContact O-OG1 3.09Å
101A55.1Low57.4Low57 Ų57145.1 Ų145.147%0.47169%0.686SS.*Hα-helixtrans-75.4-28.4179.800000112.9L98L98-A101 PolarHBondContact O-N 3.46Å
102K56.7Low57.4Low165 Ų165145.9 Ų145.972%0.71768%0.684SS**Hα-helixtrans-78.7-20.1-177.6-66.8-168.8179.1-175.10113.9
103T57.8Low57.6Low90 Ų90146.5 Ų146.555%0.55269%0.69SS**Hα-helixtrans-80.8-31.1-178.648.70000113.1Q100 R105Q100-T103 PolarHBondContact O-OG1 3.09Å; Q100-T103 VanDerWaalsContact O-OG1 3.09Å; T103-R105 PolarHBondContact O-N 3.27Å
104K56.1Low57.6Low163 Ų163152.7 Ų152.771%0.70970%0.704SS**Hα-helixtrans-73.9-21.9179.8-66.3-150.7177.2-171.80114.7
105R56.3Low57.7Low215 Ų215152 Ų15281%0.81170%0.702SS**Hα-helixtrans-76.2-31.2178.4-83.4-172.7166.2-169.6-2.6113.5T103T103-R105 PolarHBondContact O-N 3.27Å
106K57Low57.4Low165 Ų165146.9 Ų146.972%0.71770%0.698SS**Hα-helixtrans-72-29179.1-95.2-175.3174.4-177.50113.6
107N57.7Low57.3Low102 Ų102148.2 Ų148.255%0.54571%0.711SS.*Hα-helixtrans-83-30.1-178.8-70-3000113.1Q109 K110N107-Q109 VanDerWaalsContact C-N 3.28Å; N107-Q109 PolarHBondContact O-N 3.15Å; N107-K110 PolarHBondContact O-N 3.44Å; N107-K110 VanDerWaalsContact O-N 3.15Å
108R56.9Low57.2Low204 Ų204149.7 Ų149.777%0.7772%0.723SS**THydrogen-bonded Turntrans-70.2-17.4179.7-78.6-174.7167.9-175.6-3115.2
109Q58.4Low57.3Low158 Ų158152.2 Ų152.274%0.73873%0.728SS**THydrogen-bonded Turntrans-83-20.3173.1-86.3-174.6-23.100113N107N107-Q109 VanDerWaalsContact C-N 3.28Å; N107-Q109 PolarHBondContact O-N 3.15Å
110K57.2Low57.2Low176 Ų176148.8 Ų148.877%0.76573%0.727SS**THydrogen-bonded Turntrans-80.7-28.6177.8-72.1-174174.5-174.40112.7N107N107-K110 PolarHBondContact O-N 3.44Å; N107-K110 VanDerWaalsContact O-N 3.15Å
111D56.6Low57.4Low134 Ų134154.6 Ų154.672%0.71774%0.744SS**SBendtrans-9211.4-179.2-61.8-30.5000114.1P113D111-P113 WeakPolarHBondContact O-CD 3.13Å
112R58.4Low57.5Low193 Ų193161.4 Ų161.473%0.72876%0.763SS**  trans-73.1114.2171.7-84.8-174.5172.5-176.7-3108.3R114R112-R114 PolarHBondContact O-N 2.86Å
113P60.4Low57.7Low114 Ų114162.4 Ų162.474%0.7477%0.77SS**  trans-58.712116925.1-31.2000106.6D111 K115D111-P113 WeakPolarHBondContact O-CD 3.13Å; P113-K115 VanDerWaalsContact C-N 3.34Å; P113-K115 PolarHBondContact O-N 3.05Å
114R59.8Low57.4Low245 Ų245173 Ų17393%0.92580%0.8SS**  trans-54.8106.1166.8-71.2179.7176.7172.8-1.5104.9R112 G116R112-R114 PolarHBondContact O-N 2.86Å; R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 2.8Å
115K60Low57.4Low199 Ų199173.6 Ų173.687%0.86581%0.805SS**  trans-54.2104.4172.9-84.1-170.4173.8-174.20106P113 V117P113-K115 VanDerWaalsContact C-N 3.34Å; P113-K115 PolarHBondContact O-N 3.05Å; K115-V117 PolarHBondContact O-N 3.35Å
116G51.5Low57.5Low66 Ų66171.4 Ų171.468%0.6880%0.804SS**  trans-60106.2177.300000107.7R114 S118R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 2.8Å; G116-S118 PolarHBondContact O-N 3.33Å
117V53.3Low57.5Low148 Ų148171.7 Ų171.790%0.89781%0.809SS**  trans-72.387.1167.8-176.70000105.8K115K115-V117 PolarHBondContact O-N 3.35Å
118S59.5Low57.5Low103 Ų103175.8 Ų175.872%0.7283%0.825SS**  trans-13188.717565.20000111.3G116G116-S118 PolarHBondContact O-N 3.33Å
119K59.2Low57.5Low201 Ų201174.1 Ų174.187%0.87483%0.828SS**  trans48.1104.3145-59.8-175.9-179.5179.40117.4R121K119-R121 PolarHBondContact O-N 3.19Å
120S55.6Low57.5Low116 Ų116175.1 Ų175.181%0.81183%0.834SS**PPolyproline II helixtrans-52.6116155.554.70000110.2K122S120-K122 PolarHBondContact O-N 2.99Å
121R61.6Low57.5Low233 Ų233175.1 Ų175.188%0.87984%0.839SS**PPolyproline II helixtrans-68.3116.8165.5-116.1177.1177.8169.5-1.6107.6K119 H123K119-R121 PolarHBondContact O-N 3.19Å; R121-H123 PolarHBondContact O-N 3Å
122K56.7Low57.6Low200 Ų200178.2 Ų178.287%0.8785%0.849SS**PPolyproline II helixtrans-62.3119.5167.1-71.2178.3175.6179.40108S120S120-K122 PolarHBondContact O-N 2.99Å
123H61.4Low57.5Low186 Ų186177 Ų17786%0.86186%0.859SS**PPolyproline II helixtrans-97.1121.7153.6-94.3-76.1000106.8R121R121-H123 PolarHBondContact O-N 3Å
124R51.2Low57.3Low313 Ų313182.7 Ų182.7100%1.18187%0.869SS**  trans-125.50168.2-152.8-175-163.1-172.13.5106.1

Retrieved 124 of 124 residues in 213.2 ms (Link to these results)