A0A087X8T7_POEFO Loading...

H/ACA ribonucleoprotein complex subunit 2

Common component of the spliceosome and rRNA processing machinery. Required for ribosome biogenesis. Part of a complex which catalyzes pseudouridylation of rRNA. This involves the isomerization of uridine such that the ribose is subsequently attached to C5, instead of the normal N1. Pseudouridine ('psi') residues may serve to stabilize the conformation of rRNAs.

AlphaFold DB , UniProt , Accession A0A087X8T7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M36.8Very low29.3Very low239 Ų239171.8 Ų171.8100%1.17787%0.871SS**  0120.80-58.9169.9176.900106.5
2T27.9Very low29Very low131 Ų131163.3 Ų163.380%0.80486%0.859SS**  cis-158.3148.8-5.3-62.30000105.8
3K35.2Very low29.1Very low190 Ų190163.5 Ų163.583%0.82685%0.852SS**  trans-41.5145.8172-62.3161.1168.6171.40113.6
4V31.1Very low29.1Very low139 Ų139163.4 Ų163.484%0.84285%0.846SS**  -160.7106121.2-178.10000108.5
5K29.5Very low29.1Very low204 Ų204158.4 Ų158.489%0.88784%0.838SS**  trans-94.6107.1166.2-173.7175.4179.4-179.90106.6
6K28.7Very low28.9Very low190 Ų190154.6 Ų154.683%0.82684%0.836SS**  trans-81.5116.3179-165.6174.4-178.1174.50108.6
7E26.5Very low29Very low183 Ų183150.8 Ų150.886%0.85583%0.831SS**  trans-61.8136.4174.8-74.317091.400111
8K27.2Very low29.1Very low208 Ų208150.9 Ų150.990%0.90484%0.836SS**  trans-97.5114170.2-94.7-175.3174.7-178.80108.4
9V26.8Very low29.5Very low138 Ų138152.8 Ų152.884%0.83684%0.838SS**  trans-67.4130.4161.7179.50000107.9
10S25.3Very low29.7Very low118 Ų118150.2 Ų150.283%0.82584%0.837SS**  trans-12693.1164.560.20000108.5
11D27.3Very low29.7Very low150 Ų150147.4 Ų147.480%0.80284%0.842SS**  trans-72.2146.9158.9-156-99.7000108.9
12G26.1Very low29.3Very low70 Ų70138.7 Ų138.772%0.72281%0.814SS**  trans170.686.3-176.900000113.4
13E29.8Very low29.8Very low165 Ų165138 Ų13877%0.77181%0.812SS**  trans-4.1150.9138.9-106.2157.676.700117.5
14E29.2Very low30.2Very low163 Ų163138.3 Ų138.376%0.76282%0.816SS**  cis-169171.415-158.1179.611700109.2
15A28.4Very low31.1Very low88 Ų88138.5 Ų138.573%0.72780%0.802SS**  trans85.2103.5150.500000120.3
16A27Very low32.4Very low97 Ų97132 Ų13280%0.80278%0.782SS**  177.7128.8104.100000111.1
17A31Very low33.6Very low91 Ų91126.2 Ų126.275%0.75276%0.755SS**  trans-62.8153.4-170.800000115.8
18V29.6Very low35Very low152 Ų152120.7 Ų120.792%0.92174%0.741SS**  -151.3124.4123.7-160.30000108.9
19E37Very low36.4Very low187 Ų187115.5 Ų115.587%0.87472%0.72SS**  trans-64.7140.2-178.1-58-175.511200114.4
20A33.2Very low38Very low100 Ų100110.3 Ų110.383%0.82669%0.687SS**  trans-158.2114.6145.300000108.5
21G30.8Very low39.6Very low92 Ų92107.7 Ų107.795%0.94867%0.667SS**  trans-57.6136.1-166.500000117.1
22G27.9Very low40.9Very low57 Ų57104.4 Ų104.459%0.58866%0.66SS**SBendtrans175.5149.417000000107.1E24G22-E24 PolarHBondContact O-N 2.77Å
23P38.6Very low42.5Very low116 Ų116106 Ų10675%0.75365%0.649SS**  trans-57.5127.2-168.827.1-33.6000109R25P23-R25 PolarHBondContact O-N 3.1Å
24E44.2Very low44.2Very low197 Ų197100 Ų10092%0.92162%0.622SS**  trans-59.787178.6-74.2-174.296.300109.7G22 S26G22-E24 PolarHBondContact O-N 2.77Å; E24-S26 PolarHBondContact O-N 3.27Å
25R49.3Very low45.9Very low143 Ų14393.6 Ų93.654%0.5459%0.593SS.*  trans-69.4114.8165.1-72.8-177.8-176.3175.4-1106P23 Y27 E29 L30P23-R25 PolarHBondContact O-N 3.1Å; R25-Y27 PolarHBondContact O-N 2.75Å; R25-E29 WeakPolarHBondContact CA-OE2 3.05Å; R25-L30 HydrophobicContact CB-CD2 4.13Å; R25-L30 HydrophobicContact CB-CG 4.12Å
26S55.6Low47.5Very low66 Ų6694.9 Ų94.946%0.46260%0.596SS.*  trans-49.2140.6175.1168.70000108.8E24 A28 E29 L30E24-S26 PolarHBondContact O-N 3.27Å; S26-A28 PolarHBondContact O-N 3.1Å; S26-A28 PolarHBondContact OG-N 3.22Å; S26-E29 PolarHBondContact N-OE2 3.35Å; S26-E29 WeakPolarHBondContact O-CA 3.44Å; S26-E29 WeakPolarHBondContact O-CB 3.26Å; S26-E29 PolarHBondContact O-N 2.8Å; S26-L30 PolarHBondContact O-N 3.32Å; S26-L30 VanDerWaalsContact O-N 3.09Å
27Y55.5Low49.2Very low69 Ų6993.1 Ų93.127%0.27157%0.572SS.*Hα-helixtrans-54.9-25.4177.8-168.1-102000111.8R25 V31 R44 P112R25-Y27 PolarHBondContact O-N 2.75Å; Y27-V31 HydrophobicContact CD1-CG2 4.33Å; Y27-V31 HydrophobicContact CE1-CG2 4.23Å; Y27-V31 WeakPolarHBondContact O-CB 3.2Å; Y27-V31 WeakPolarHBondContact O-CG2 3.4Å; Y27-V31 PolarHBondContact O-N 3.35Å; Y27-R44 HydrophobicContact CD2-CG 4.28Å; Y27-R44 VanDerWaalsContact CD2-NE 3.26Å; Y27-R44 HydrophobicContact CE1-CG 3.99Å; Y27-R44 HydrophobicContact CE2-CG 3.5Å; Y27-R44 VanDerWaalsContact CE2-CG 3.5Å; Y27-R44 WeakPolarHBondContact OH-CG 3.14Å; Y27-P112 HydrophobicContact CE2-CG 4.27Å
28A54.8Low50.6Low67 Ų6789.2 Ų89.255%0.55454%0.541SS*.Hα-helixtrans-67.1-37.7171.400000113.5S26 V31 A32S26-A28 PolarHBondContact O-N 3.1Å; S26-A28 PolarHBondContact OG-N 3.22Å; A28-V31 PolarHBondContact O-N 2.89Å; A28-A32 WeakPolarHBondContact O-CB 3.36Å; A28-A32 PolarHBondContact O-N 3.5Å
29E56.3Low52.3Low99 Ų9988.4 Ų88.446%0.46353%0.527SS..Hα-helixtrans-72.9-38.1175.8-64.9-179.2152.100111.6R25 S26 V31 A32 H33R25-E29 WeakPolarHBondContact CA-OE2 3.05Å; S26-E29 PolarHBondContact N-OE2 3.35Å; S26-E29 WeakPolarHBondContact O-CA 3.44Å; S26-E29 WeakPolarHBondContact O-CB 3.26Å; S26-E29 PolarHBondContact O-N 2.8Å; E29-V31 PolarHBondContact O-N 3.05Å; E29-A32 PolarHBondContact O-N 2.81Å; E29-A32 VanDerWaalsContact O-N 3.15Å; E29-H33 PolarHBondContact O-CD2 3.35Å; E29-H33 PolarHBondContact O-N 3.06Å
30L60.2Low53.8Low29 Ų2980 Ų8015%0.15249%0.489CS..Hα-helixtrans-61.8-34.5172.7-68.5173.8000111.5R25 S26 L34 P112R25-L30 HydrophobicContact CB-CD2 4.13Å; R25-L30 HydrophobicContact CB-CG 4.12Å; S26-L30 PolarHBondContact O-N 3.32Å; S26-L30 VanDerWaalsContact O-N 3.09Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-P112 HydrophobicContact CB-CB 4.27Å
31V58.9Low55.5Low64 Ų6478 Ų7839%0.38846%0.463SS..Hα-helixtrans-73.4-36.9173171.80000111.8Y27 A28 E29 H33 L34Y27-V31 HydrophobicContact CD1-CG2 4.33Å; Y27-V31 HydrophobicContact CE1-CG2 4.23Å; Y27-V31 WeakPolarHBondContact O-CB 3.2Å; Y27-V31 WeakPolarHBondContact O-CG2 3.4Å; Y27-V31 PolarHBondContact O-N 3.35Å; A28-V31 PolarHBondContact O-N 2.89Å; E29-V31 PolarHBondContact O-N 3.05Å; V31-H33 VanDerWaalsContact C-N 3.29Å; V31-H33 PolarHBondContact O-N 2.85Å; V31-L34 HydrophobicContact CB-CD1 4.21Å; V31-L34 HydrophobicContact CG1-CD1 4.18Å; V31-L34 HydrophobicContact CG2-CD1 4.17Å; V31-L34 WeakPolarHBondContact O-CB 3.35Å; V31-L34 WeakPolarHBondContact O-CG 2.85Å; V31-L34 PolarHBondContact O-N 2.75Å; V31-L34 VanDerWaalsContact O-N 3.17Å
32A55.2Low57.4Low81 Ų8173.7 Ų73.767%0.66942%0.419SS*.Hα-helixtrans-68.2-26.5177.900000113.5A28 E29 L34A28-A32 WeakPolarHBondContact O-CB 3.36Å; A28-A32 PolarHBondContact O-N 3.5Å; E29-A32 PolarHBondContact O-N 2.81Å; E29-A32 VanDerWaalsContact O-N 3.15Å; A32-L34 VanDerWaalsContact C-N 3.34Å
33H60.7Low59.7Low104 Ų10474.1 Ų74.148%0.48141%0.413SS..THydrogen-bonded Turntrans-91.48.3174-68.3-59.4000113.8E29 V31E29-H33 PolarHBondContact O-CD2 3.35Å; E29-H33 PolarHBondContact O-N 3.06Å; V31-H33 VanDerWaalsContact C-N 3.29Å; V31-H33 PolarHBondContact O-N 2.85Å
34L65.4Low61.5Low38 Ų3875.6 Ų75.620%0.19940%0.403CS..  trans-73.7134.1173.7-63.1175.2000110.4L30 V31 A32 A38 L41 P112L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; V31-L34 HydrophobicContact CB-CD1 4.21Å; V31-L34 HydrophobicContact CG1-CD1 4.18Å; V31-L34 HydrophobicContact CG2-CD1 4.17Å; V31-L34 WeakPolarHBondContact O-CB 3.35Å; V31-L34 WeakPolarHBondContact O-CG 2.85Å; V31-L34 PolarHBondContact O-N 2.75Å; V31-L34 VanDerWaalsContact O-N 3.17Å; A32-L34 VanDerWaalsContact C-N 3.34Å; L34-A38 HydrophobicContact CB-CB 4.24Å; L34-A38 HydrophobicContact CD2-CB 4.4Å; L34-L41 HydrophobicContact CD1-CD1 3.81Å; L34-L41 HydrophobicContact CD1-CD2 4.01Å; L34-L41 HydrophobicContact CD2-CD1 4.36Å; L34-P112 HydrophobicContact CD2-CB 3.91Å
35N65.1Low63.1Low29 Ų2974 Ų7416%0.15539%0.394CS..  trans-72.1152.9169.4-67.510.9000110.5I37 A38 G86 T88 I91 Y94N35-I37 PolarHBondContact O-N 3.07Å; N35-A38 VanDerWaalsContact O-CB 3.28Å; N35-A38 WeakPolarHBondContact O-CB 3.36Å; N35-A38 PolarHBondContact O-N 3.25Å; N35-G86 PolarHBondContact N-O 3.41Å; N35-G86 VanDerWaalsContact N-O 3.09Å; N35-T88 PolarHBondContact ND2-O 3.2Å; N35-I91 HydrophobicContact CB-CD1 3.98Å; N35-Y94 WeakPolarHBondContact CB-OH 3.29Å; N35-Y94 PolarHBondContact ND2-OH 3.45Å
36S60.7Low64.5Low114 Ų11468.2 Ų68.280%0.79737%0.373SS*.THydrogen-bonded Turntrans-59.1-14.6-179.7-42.80000114.7
37I63.2Low65.7Low60 Ų6065.4 Ų65.431%0.30835%0.354SS..THydrogen-bonded Turntrans-87.8-5.8177.2-62.9178.7000112.1N35 Q39 I91 Y110N35-I37 PolarHBondContact O-N 3.07Å; I37-Q39 PolarHBondContact O-N 2.83Å; I37-I91 HydrophobicContact CB-CD1 4.2Å; I37-I91 HydrophobicContact CD1-CD1 3.29Å; I37-I91 HydrophobicContact CD1-CG1 3.51Å; I37-I91 HydrophobicContact CG1-CD1 3.6Å; I37-I91 HydrophobicContact CG1-CG1 4.26Å; I37-Y110 WeakPolarHBondContact CG2-OH 3.49Å; I37-Y110 WeakPolarHBondContact O-CE2 2.9Å; I37-Y110 PolarHBondContact O-OH 3.48Å
38A60.7Low67.1Low10 Ų1068.8 Ų68.88%0.08337%0.37CS..  trans-74.443179.800000113.6L34 N35 L41 Y110L34-A38 HydrophobicContact CB-CB 4.24Å; L34-A38 HydrophobicContact CD2-CB 4.4Å; N35-A38 VanDerWaalsContact O-CB 3.28Å; N35-A38 WeakPolarHBondContact O-CB 3.36Å; N35-A38 PolarHBondContact O-N 3.25Å; A38-L41 PolarHBondContact O-N 2.93Å; A38-Y110 HydrophobicContact CB-CD1 4.14Å; A38-Y110 HydrophobicContact CB-CG 4.2Å
39Q65.4Low68.5Low135 Ų13568.8 Ų68.863%0.63136%0.357SS*.  trans-110.9121.9168.9-65.8-178.3-25.400107.1I37 Y110I37-Q39 PolarHBondContact O-N 2.83Å; Q39-Y110 VanDerWaalsContact O-CE2 3.27Å; Q39-Y110 WeakPolarHBondContact O-CE2 3.38Å
40P67Low69.7Low11 Ų1164.2 Ų64.27%0.07134%0.336CS..SBendcis-92.6130.3633.4-30.1000114.1Y108 Y110 L152P40-Y108 HydrophobicContact CG-CE2 4.34Å; P40-Y110 WeakPolarHBondContact O-CB 3.5Å; P40-Y110 PolarHBondContact O-N 3.48Å; P40-Y110 VanDerWaalsContact O-N 3.08Å; P40-L152 HydrophobicContact CB-CB 3.57Å; P40-L152 HydrophobicContact CB-CD1 4Å; P40-L152 HydrophobicContact CB-CD2 4.26Å; P40-L152 HydrophobicContact CB-CG 4.14Å; P40-L152 HydrophobicContact CG-CB 3.83Å; P40-L152 HydrophobicContact CG-CD1 4.23Å
41L70.4Confident71Confident57 Ų5764.9 Ų64.930%0.29834%0.337SS..BIsolated β-bridgetrans-77126.7176.2-167.773.2000110.6L34 A38 S43L34-L41 HydrophobicContact CD1-CD1 3.81Å; L34-L41 HydrophobicContact CD1-CD2 4.01Å; L34-L41 HydrophobicContact CD2-CD1 4.36Å; A38-L41 PolarHBondContact O-N 2.93Å; L41-S43 PolarHBondContact O-N 3.08Å
42A70.6Confident72.3Confident1 Ų168.8 Ų68.81%0.00835%0.348CS..PPolyproline II helixtrans-65.2124.9171.500000109.9L46 S47 L50 Y110 I111A42-L46 HydrophobicContact CB-CB 3.96Å; A42-S47 WeakPolarHBondContact CB-OG 3.44Å; A42-S47 PolarHBondContact O-OG 3.09Å; A42-L50 HydrophobicContact CB-CD1 4.2Å; A42-Y110 WeakPolarHBondContact CB-O 3.4Å; A42-Y110 PolarHBondContact N-O 3.38Å; A42-I111 HydrophobicContact CB-CG1 4.49Å
43S76.6Confident73.7Confident67 Ų6765.3 Ų65.347%0.46932%0.319SS..PPolyproline II helixtrans-56153170.7174.90000110.4L41 K45 L46 S47L41-S43 PolarHBondContact O-N 3.08Å; S43-K45 PolarHBondContact O-N 2.99Å; S43-L46 WeakPolarHBondContact O-CA 3.47Å; S43-L46 WeakPolarHBondContact O-CB 3.17Å; S43-L46 PolarHBondContact O-N 3.34Å; S43-S47 PolarHBondContact O-N 3.22Å; S43-S47 PolarHBondContact O-OG 2.95Å
44R74.6Confident74.9Confident146 Ų14660.3 Ų60.355%0.55130%0.296SS*.Hα-helixtrans-47.5-35.5178.1-78-179.4147-173.5-12.8113.3Y27 K48Y27-R44 HydrophobicContact CD2-CG 4.28Å; Y27-R44 VanDerWaalsContact CD2-NE 3.26Å; Y27-R44 HydrophobicContact CE1-CG 3.99Å; Y27-R44 HydrophobicContact CE2-CG 3.5Å; Y27-R44 VanDerWaalsContact CE2-CG 3.5Å; Y27-R44 WeakPolarHBondContact OH-CG 3.14Å; R44-K48 WeakPolarHBondContact O-CG 3.5Å; R44-K48 PolarHBondContact O-N 3.36Å
45K78.4Confident75.9Confident165 Ų16564.9 Ų64.972%0.71731%0.314SS*.Hα-helixtrans-67.5-46.7177.1-65.5-178.1-179.5177.50111.6S43 K48 K49S43-K45 PolarHBondContact O-N 2.99Å; K45-K48 PolarHBondContact O-N 3.08Å; K45-K49 PolarHBondContact O-N 3.32Å
46L78.8Confident76.8Confident20 Ų2069 Ų6911%0.10533%0.331CS..Hα-helixtrans-62.6-46.4177.7-55.8-174.6000111.2A42 S43 K48 K49 L50 E148 L152A42-L46 HydrophobicContact CB-CB 3.96Å; S43-L46 WeakPolarHBondContact O-CA 3.47Å; S43-L46 WeakPolarHBondContact O-CB 3.17Å; S43-L46 PolarHBondContact O-N 3.34Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 2.99Å; L46-K49 WeakPolarHBondContact O-CB 3.2Å; L46-K49 PolarHBondContact O-N 2.77Å; L46-L50 WeakPolarHBondContact O-CB 3.36Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.78Å; L46-E148 HydrophobicContact CD1-CB 4.39Å; L46-E148 HydrophobicContact CD2-CB 3.47Å; L46-E148 VanDerWaalsContact CD2-CB 3.47Å; L46-E148 HydrophobicContact CD2-CG 3.64Å; L46-E148 WeakPolarHBondContact CD2-OE2 3.37Å; L46-L152 HydrophobicContact CD1-CD1 4.21Å
47S81.7Confident78Confident8 Ų863.6 Ų63.66%0.05629%0.293CS..Hα-helixtrans-58.5-41.7179.1-57.90000112.1A42 S43 L50 Y51A42-S47 WeakPolarHBondContact CB-OG 3.44Å; A42-S47 PolarHBondContact O-OG 3.09Å; S43-S47 PolarHBondContact O-N 3.22Å; S43-S47 PolarHBondContact O-OG 2.95Å; S47-L50 PolarHBondContact O-N 3.43Å; S47-Y51 WeakPolarHBondContact O-CD2 3.45Å; S47-Y51 VanDerWaalsContact O-CG 3.24Å; S47-Y51 PolarHBondContact O-N 3.31Å
48K83.8Confident79Confident140 Ų14062 Ų6261%0.60929%0.288SS*.Hα-helixtrans-63.6-40.8175.1-73.8-179.5-177.9-175.60112.5R44 K45 L46 K52R44-K48 WeakPolarHBondContact O-CG 3.5Å; R44-K48 PolarHBondContact O-N 3.36Å; K45-K48 PolarHBondContact O-N 3.08Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 2.99Å; K48-K52 WeakPolarHBondContact O-CG 3.25Å; K48-K52 PolarHBondContact O-N 3.04Å
49K83.8Confident80.1Confident66 Ų6669.8 Ų69.829%0.28732%0.32SS..Hα-helixtrans-64.8-45.7175.1-71.1-175.9176-167.90111.2K45 L46 Y51 K52 C53 E144 E148K45-K49 PolarHBondContact O-N 3.32Å; L46-K49 WeakPolarHBondContact O-CB 3.2Å; L46-K49 PolarHBondContact O-N 2.77Å; K49-Y51 PolarHBondContact O-N 3.5Å; K49-K52 WeakPolarHBondContact O-CB 3.49Å; K49-K52 PolarHBondContact O-N 2.97Å; K49-K52 VanDerWaalsContact O-N 3.15Å; K49-C53 PolarHBondContact O-N 3.35Å; K49-C53 PolarHBondContact O-SG 3.18Å; K49-E144 IonicContact NZ-OE2 2.69Å; K49-E144 PolarHBondContact NZ-OE2 3.02Å; K49-E148 WeakPolarHBondContact CD-OE2 3.19Å; K49-E148 IonicContact NZ-OE1 2.88Å; K49-E148 PolarHBondContact NZ-OE1 3.13Å; K49-E148 IonicContact NZ-OE2 3.92Å; K49-E148 PolarHBondContact NZ-OE2 2.92Å
50L83.5Confident80.7Confident3 Ų365 Ų652%0.01631%0.307CS..Hα-helixtrans-58.8-45.9176.8-72.2171.6000111.6A42 L46 S47 K52 C53 V54 V83 A109 I111 C145A42-L50 HydrophobicContact CB-CD1 4.2Å; L46-L50 WeakPolarHBondContact O-CB 3.36Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.78Å; S47-L50 PolarHBondContact O-N 3.43Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.88Å; L50-C53 WeakPolarHBondContact O-CB 3.46Å; L50-C53 PolarHBondContact O-N 3.38Å; L50-C53 VanDerWaalsContact O-N 3.16Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 VanDerWaalsContact O-CG2 3.25Å; L50-V54 WeakPolarHBondContact O-CG2 3.33Å; L50-V54 PolarHBondContact O-N 3.14Å; L50-V83 HydrophobicContact CD2-CG2 4.2Å; L50-A109 HydrophobicContact CD1-CB 4.13Å; L50-I111 HydrophobicContact CB-CD1 4.09Å; L50-I111 HydrophobicContact CD1-CD1 4.02Å; L50-I111 HydrophobicContact CD1-CG1 4.27Å; L50-C145 HydrophobicContact CD2-CB 3.98Å
51Y86.4Confident81.2Confident43 Ų4373 Ų7317%0.16934%0.341CS..Hα-helixtrans-60.9-38.7176.2-66-45.4000112.9S47 K49 K55 I111 D116 L117 S120S47-Y51 WeakPolarHBondContact O-CD2 3.45Å; S47-Y51 VanDerWaalsContact O-CG 3.24Å; S47-Y51 PolarHBondContact O-N 3.31Å; K49-Y51 PolarHBondContact O-N 3.5Å; Y51-K55 WeakPolarHBondContact O-CB 3.43Å; Y51-K55 PolarHBondContact O-N 3.31Å; Y51-I111 HydrophobicContact CD1-CD1 4.37Å; Y51-I111 HydrophobicContact CE1-CD1 3.9Å; Y51-I111 HydrophobicContact CE1-CG2 3.9Å; Y51-I111 WeakPolarHBondContact OH-CG2 3.15Å; Y51-D116 HydrophobicContact CE1-CB 3.97Å; Y51-D116 HydrophobicContact CE2-CB 4.3Å; Y51-D116 WeakPolarHBondContact OH-CB 3.38Å; Y51-L117 HydrophobicContact CD1-CD1 4.5Å; Y51-L117 HydrophobicContact CE1-CB 4.26Å; Y51-L117 HydrophobicContact CE1-CD1 4.3Å; Y51-S120 WeakPolarHBondContact CD1-OG 3.47Å
52K85.9Confident81.8Confident147 Ų14772 Ų7264%0.63934%0.336SS*.Hα-helixtrans-64.7-42.8174.2-71.4176.2-178.3-178.90111.5K48 K49 L50 K55 K56K48-K52 WeakPolarHBondContact O-CG 3.25Å; K48-K52 PolarHBondContact O-N 3.04Å; K49-K52 WeakPolarHBondContact O-CB 3.49Å; K49-K52 PolarHBondContact O-N 2.97Å; K49-K52 VanDerWaalsContact O-N 3.15Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.88Å; K52-K55 PolarHBondContact O-N 2.82Å; K52-K56 PolarHBondContact O-N 3.3Å
53C84.1Confident82.5Confident7 Ų773 Ų735%0.04734%0.341CS..Hα-helixtrans-62.8-48176.5-66.60000111.5K49 L50 K55 K56 A57 A141K49-C53 PolarHBondContact O-N 3.35Å; K49-C53 PolarHBondContact O-SG 3.18Å; L50-C53 WeakPolarHBondContact O-CB 3.46Å; L50-C53 PolarHBondContact O-N 3.38Å; L50-C53 VanDerWaalsContact O-N 3.16Å; C53-K55 VanDerWaalsContact C-N 3.32Å; C53-K55 PolarHBondContact O-N 3.07Å; C53-K56 PolarHBondContact O-N 2.97Å; C53-A57 WeakPolarHBondContact O-CB 3.13Å; C53-A57 PolarHBondContact O-N 2.93Å; C53-A141 VanDerWaalsContact SG-CB 3.55Å
54V86.4Confident83Confident0 Ų073.1 Ų73.10%033%0.331CS..Hα-helixtrans-57.8-44.2174.3173.50000110.4L50 K56 A57 A58 I63 L117 A121 I130 I132L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 VanDerWaalsContact O-CG2 3.25Å; L50-V54 WeakPolarHBondContact O-CG2 3.33Å; L50-V54 PolarHBondContact O-N 3.14Å; V54-K56 VanDerWaalsContact C-N 3.33Å; V54-K56 PolarHBondContact O-N 3.4Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 2.87Å; V54-I63 HydrophobicContact CB-CD1 4.47Å; V54-I63 HydrophobicContact CG1-CD1 3.87Å; V54-I63 WeakPolarHBondContact O-CD1 3.47Å; V54-L117 HydrophobicContact CG2-CD1 4.4Å; V54-A121 HydrophobicContact CG1-CB 4.1Å; V54-I130 HydrophobicContact CG1-CD1 4.31Å; V54-I132 HydrophobicContact CG2-CD1 3.52Å; V54-I132 HydrophobicContact CG2-CG1 4.15Å
55K86.1Confident83.6Confident133 Ų13373 Ų7358%0.57833%0.33SS*.Hα-helixtrans-63.7-37.3179.4-167.5173.2-174.81740112.8Y51 K52 C53 K59 S120Y51-K55 WeakPolarHBondContact O-CB 3.43Å; Y51-K55 PolarHBondContact O-N 3.31Å; K52-K55 PolarHBondContact O-N 2.82Å; C53-K55 VanDerWaalsContact C-N 3.32Å; C53-K55 PolarHBondContact O-N 3.07Å; K55-K59 WeakPolarHBondContact O-CG 3.27Å; K55-K59 PolarHBondContact O-N 3.19Å; K55-S120 WeakPolarHBondContact CA-O 3.18Å
56K85.4Confident84Confident117 Ų11766 Ų6651%0.50931%0.306SS..Hα-helixtrans-69.2-48.8174.6-72.1-177.8178.8-175.90111.4K52 C53 V54 A58 K59 G60 Y138K52-K56 PolarHBondContact O-N 3.3Å; C53-K56 PolarHBondContact O-N 2.97Å; V54-K56 VanDerWaalsContact C-N 3.33Å; V54-K56 PolarHBondContact O-N 3.4Å; K56-A58 VanDerWaalsContact C-N 3.26Å; K56-A58 PolarHBondContact O-N 3.2Å; K56-K59 WeakPolarHBondContact O-CB 3.33Å; K56-K59 PolarHBondContact O-N 3.3Å; K56-G60 PolarHBondContact O-N 3.37Å; K56-Y138 HydrophobicContact CB-CD1 4.49Å
57A84.8Confident84.3Confident0 Ų066 Ų660%031%0.307CS..Hα-helixtrans-64.1-31.6179.700000112.4C53 V54 G60 K61 N62 I63 I132 Y138C53-A57 WeakPolarHBondContact O-CB 3.13Å; C53-A57 PolarHBondContact O-N 2.93Å; V54-A57 PolarHBondContact O-N 3.15Å; A57-G60 CarbonylContact O-C 3.57Å; A57-G60 PolarHBondContact O-N 3.44Å; A57-K61 PolarHBondContact O-N 2.93Å; A57-K61 VanDerWaalsContact O-N 3.16Å; A57-N62 PolarHBondContact O-N 3.27Å; A57-N62 VanDerWaalsContact O-N 3.09Å; A57-I63 VanDerWaalsContact C-CG1 3.49Å; A57-I63 HydrophobicContact CB-CD1 3.67Å; A57-I63 HydrophobicContact CB-CG1 3.5Å; A57-I63 VanDerWaalsContact CB-CG1 3.5Å; A57-I132 HydrophobicContact CB-CG2 4.04Å; A57-Y138 HydrophobicContact CB-CD1 4.38Å; A57-Y138 HydrophobicContact CB-CD2 4.48Å; A57-Y138 HydrophobicContact CB-CE1 3.75Å; A57-Y138 HydrophobicContact CB-CE2 3.85Å; A57-Y138 VanDerWaalsContact CB-CZ 3.45Å
58A84.7Confident84.5Confident26 Ų2674.5 Ų74.522%0.21534%0.342CS..Hα-helixtrans-65.4-41.4177.700000111.2V54 K56 G60 K61 I63V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 2.87Å; K56-A58 VanDerWaalsContact C-N 3.26Å; K56-A58 PolarHBondContact O-N 3.2Å; A58-G60 VanDerWaalsContact C-N 3.29Å; A58-G60 PolarHBondContact O-N 3.03Å; A58-K61 PolarHBondContact O-N 3.34Å; A58-K61 VanDerWaalsContact O-N 3.13Å; A58-I63 VanDerWaalsContact CA-CD1 3.49Å; A58-I63 HydrophobicContact CB-CD1 3.71Å
59K83.9Confident84.7Confident173 Ų17371.5 Ų71.575%0.75233%0.331SS*.Hα-helixtrans-61.3-39.5173.9-69.2178178-171.70111.6K55 K56 K61K55-K59 WeakPolarHBondContact O-CG 3.27Å; K55-K59 PolarHBondContact O-N 3.19Å; K56-K59 WeakPolarHBondContact O-CB 3.33Å; K56-K59 PolarHBondContact O-N 3.3Å; K59-K61 PolarHBondContact O-N 2.78Å
60G77.5Confident84.8Confident34 Ų3468.3 Ų68.335%0.35132%0.317SS..THydrogen-bonded Turntrans-77.31.6176.200000115.2K56 A57 A58 N62K56-G60 PolarHBondContact O-N 3.37Å; A57-G60 CarbonylContact O-C 3.57Å; A57-G60 PolarHBondContact O-N 3.44Å; A58-G60 VanDerWaalsContact C-N 3.29Å; A58-G60 PolarHBondContact O-N 3.03Å; G60-N62 PolarHBondContact O-N 3.43Å; G60-N62 PolarHBondContact O-ND2 2.88Å
61K77.8Confident85Confident179 Ų17971.4 Ų71.478%0.77833%0.331SS*.THydrogen-bonded Turntrans52.821.4-173.5-63.3179.8179.9175.70114.5A57 A58 K59 I63A57-K61 PolarHBondContact O-N 2.93Å; A57-K61 VanDerWaalsContact O-N 3.16Å; A58-K61 PolarHBondContact O-N 3.34Å; A58-K61 VanDerWaalsContact O-N 3.13Å; K59-K61 PolarHBondContact O-N 2.78Å; K61-I63 PolarHBondContact O-N 3.1Å
62N83.1Confident85.1Confident36 Ų3675.3 Ų75.319%0.19335%0.349CS..  trans-93.526.3-177.3-71.9-36.6000112.4A57 G60 K133 H135 Y138A57-N62 PolarHBondContact O-N 3.27Å; A57-N62 VanDerWaalsContact O-N 3.09Å; G60-N62 PolarHBondContact O-N 3.43Å; G60-N62 PolarHBondContact O-ND2 2.88Å; N62-K133 WeakPolarHBondContact O-CB 3.3Å; N62-K133 PolarHBondContact O-N 3.32Å; N62-H135 PolarHBondContact ND2-CD2 3.36Å; N62-H135 PolarHBondContact ND2-NE2 3Å; N62-Y138 WeakPolarHBondContact CB-OH 3.44Å
63I86.1Confident85.1Confident23 Ų2369.1 Ų69.112%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-116.8139.6-179.4-59.8-170.2000109.7V54 A57 A58 K61 I130V54-I63 HydrophobicContact CB-CD1 4.47Å; V54-I63 HydrophobicContact CG1-CD1 3.87Å; V54-I63 WeakPolarHBondContact O-CD1 3.47Å; A57-I63 VanDerWaalsContact C-CG1 3.49Å; A57-I63 HydrophobicContact CB-CD1 3.67Å; A57-I63 HydrophobicContact CB-CG1 3.5Å; A57-I63 VanDerWaalsContact CB-CG1 3.5Å; A58-I63 VanDerWaalsContact CA-CD1 3.49Å; A58-I63 HydrophobicContact CB-CD1 3.71Å; K61-I63 PolarHBondContact O-N 3.1Å; I63-I130 HydrophobicContact CG2-CG2 3.3Å
64R86.9Confident85.2Confident70 Ų7068.9 Ų68.926%0.26432%0.321SS..EExtended strand (participates in β ladder)trans-108.4135.6167-49.2-59.5-162.1-170.31.6108.9E69 F73 I130 L131R64-E69 HydrophobicContact CB-CB 4.34Å; R64-F73 HydrophobicContact CB-CD2 3.88Å; R64-F73 HydrophobicContact CB-CE2 4.14Å; R64-F73 HydrophobicContact CG-CD2 3.42Å; R64-F73 VanDerWaalsContact CG-CD2 3.42Å; R64-F73 HydrophobicContact CG-CE2 3.59Å; R64-F73 HydrophobicContact CG-CG 4.1Å; R64-F73 HydrophobicContact CG-CZ 4.33Å; R64-I130 WeakPolarHBondContact O-CA 3.46Å; R64-L131 HydrophobicContact CB-CB 4.18Å; R64-L131 HydrophobicContact CG-CD2 4.33Å; R64-L131 PolarHBondContact N-O 3.15Å; R64-L131 PolarHBondContact O-N 3.44Å
65R86.3Confident85.2Confident142 Ų14273.4 Ų73.454%0.53635%0.345SS..EExtended strand (participates in β ladder)trans-123.1135.7-169.756.5-179.3-174.5170.81.6110.7E69 T127R65-E69 VanDerWaalsContact CG-OE2 3.31Å; R65-E69 WeakPolarHBondContact CG-OE2 3.2Å; R65-E69 PolarHBondContact N-OE2 2.93Å; R65-E69 WeakPolarHBondContact O-CB 3.17Å; R65-E69 WeakPolarHBondContact O-CG 3.46Å; R65-T127 HydrophobicContact CB-CG2 4.25Å
66G86.4Confident85.2Confident20 Ų2073.5 Ų73.521%0.20635%0.345CS..SBendtrans83.2155.9177.800000113.8K68 E69 V70 A129G66-K68 PolarHBondContact O-N 3.04Å; G66-E69 PolarHBondContact O-N 3.02Å; G66-V70 VanDerWaalsContact O-CG2 3.29Å; G66-V70 WeakPolarHBondContact O-CG2 3.33Å; G66-V70 PolarHBondContact O-N 2.76Å; G66-A129 PolarHBondContact N-O 3.28Å
67V85.3Confident84.9Confident20 Ų2070.2 Ų70.212%0.12134%0.344CS..Hα-helixtrans-57.5-47.2-170.4-177.50000112.6E69 V70 Q71 V93 H96 L97 C128 A129V67-E69 VanDerWaalsContact C-N 3.33Å; V67-E69 PolarHBondContact O-N 3.21Å; V67-V70 PolarHBondContact O-N 3.49Å; V67-Q71 VanDerWaalsContact O-CB 3.29Å; V67-Q71 WeakPolarHBondContact O-CB 3.49Å; V67-Q71 PolarHBondContact O-N 2.91Å; V67-V93 VanDerWaalsContact CG1-O 3.3Å; V67-V93 WeakPolarHBondContact CG1-O 3.31Å; V67-V93 HydrophobicContact CG2-CG1 3.74Å; V67-H96 WeakPolarHBondContact CG1-NE2 2.98Å; V67-L97 HydrophobicContact CB-CD1 4.45Å; V67-L97 HydrophobicContact CG1-CD1 4.07Å; V67-L97 HydrophobicContact CG1-CD2 4.2Å; V67-L97 HydrophobicContact CG1-CG 4.17Å; V67-L97 HydrophobicContact CG2-CD1 4.2Å; V67-C128 VanDerWaalsContact CG2-SG 3.6Å; V67-A129 HydrophobicContact CG2-CB 4.35Å
68K86.1Confident84.7Confident185 Ų18572.8 Ų72.880%0.80436%0.356SS*.Hα-helixtrans-63.3-38.1-177.8-70.6-172.8176.6-177.60112.9G66 K72G66-K68 PolarHBondContact O-N 3.04Å; K68-K72 WeakPolarHBondContact O-CB 3.2Å; K68-K72 PolarHBondContact O-N 3.43Å
69E87.5Confident84.5Confident77 Ų7780.2 Ų80.236%0.3638%0.379SS..Hα-helixtrans-70.7-51177.3-64.4-156.6100.600109.9R64 R65 G66 V67 Q71 K72 F73R64-E69 HydrophobicContact CB-CB 4.34Å; R65-E69 VanDerWaalsContact CG-OE2 3.31Å; R65-E69 WeakPolarHBondContact CG-OE2 3.2Å; R65-E69 PolarHBondContact N-OE2 2.93Å; R65-E69 WeakPolarHBondContact O-CB 3.17Å; R65-E69 WeakPolarHBondContact O-CG 3.46Å; G66-E69 PolarHBondContact O-N 3.02Å; V67-E69 VanDerWaalsContact C-N 3.33Å; V67-E69 PolarHBondContact O-N 3.21Å; E69-Q71 VanDerWaalsContact C-N 3.3Å; E69-Q71 PolarHBondContact O-N 2.79Å; E69-K72 WeakPolarHBondContact O-CB 3.22Å; E69-K72 PolarHBondContact O-N 3.26Å; E69-F73 HydrophobicContact CB-CD2 4.45Å; E69-F73 HydrophobicContact CB-CE2 4.32Å; E69-F73 WeakPolarHBondContact O-CD2 3.37Å; E69-F73 PolarHBondContact O-N 3.35Å
70V87.1Confident84.5Confident0 Ų072 Ų720%034%0.344CS..Hα-helixtrans-53.7-48.7179.21740000110.6G66 V67 K72 F73 I74 V82 L97 A129 L131G66-V70 VanDerWaalsContact O-CG2 3.29Å; G66-V70 WeakPolarHBondContact O-CG2 3.33Å; G66-V70 PolarHBondContact O-N 2.76Å; V67-V70 PolarHBondContact O-N 3.49Å; V70-K72 VanDerWaalsContact C-N 3.35Å; V70-K72 PolarHBondContact O-N 3.08Å; V70-F73 PolarHBondContact O-N 2.81Å; V70-F73 VanDerWaalsContact O-N 3.15Å; V70-I74 HydrophobicContact CG1-CD1 3.61Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.28Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 2.86Å; V70-V82 HydrophobicContact CG1-CG1 4.44Å; V70-L97 HydrophobicContact CG1-CD2 4.09Å; V70-A129 HydrophobicContact CG2-CB 4.3Å; V70-L131 HydrophobicContact CG1-CB 4.34Å; V70-L131 HydrophobicContact CG2-CB 3.9Å
71Q87.7Confident84.9Confident67 Ų6770.5 Ų70.531%0.31333%0.327SS..Hα-helixtrans-58.9-42.7177.5-170.8176.237.300112.9V67 E69 F73 I74 N75 M100V67-Q71 VanDerWaalsContact O-CB 3.29Å; V67-Q71 WeakPolarHBondContact O-CB 3.49Å; V67-Q71 PolarHBondContact O-N 2.91Å; E69-Q71 VanDerWaalsContact C-N 3.3Å; E69-Q71 PolarHBondContact O-N 2.79Å; Q71-F73 VanDerWaalsContact C-N 3.3Å; Q71-F73 PolarHBondContact O-N 2.91Å; Q71-I74 PolarHBondContact O-N 3.07Å; Q71-N75 WeakPolarHBondContact O-CB 3.25Å; Q71-N75 PolarHBondContact O-N 2.86Å; Q71-M100 HydrophobicContact CG-CE 3.87Å; Q71-M100 HydrophobicContact CG-SD 3.83Å
72K88.6Confident85.3Confident125 Ų12562 Ų6254%0.54329%0.29SS..Hα-helixtrans-62.4-37.8177.9-173.6176.8-176.2175.50111.9K68 E69 V70 K76K68-K72 WeakPolarHBondContact O-CB 3.2Å; K68-K72 PolarHBondContact O-N 3.43Å; E69-K72 WeakPolarHBondContact O-CB 3.22Å; E69-K72 PolarHBondContact O-N 3.26Å; V70-K72 VanDerWaalsContact C-N 3.35Å; V70-K72 PolarHBondContact O-N 3.08Å; K72-K76 VanDerWaalsContact O-CG 3.31Å; K72-K76 WeakPolarHBondContact O-CG 3.48Å; K72-K76 PolarHBondContact O-N 3.35Å; K72-K76 VanDerWaalsContact O-N 3.16Å
73F85.6Confident85.6Confident18 Ų1860.2 Ų60.28%0.07928%0.281CS..Hα-helixtrans-79.3-35.1-179.2-70.5-66.8000112.8R64 E69 V70 Q71 N75 K76 G77 E78 L131R64-F73 HydrophobicContact CB-CD2 3.88Å; R64-F73 HydrophobicContact CB-CE2 4.14Å; R64-F73 HydrophobicContact CG-CD2 3.42Å; R64-F73 VanDerWaalsContact CG-CD2 3.42Å; R64-F73 HydrophobicContact CG-CE2 3.59Å; R64-F73 HydrophobicContact CG-CG 4.1Å; R64-F73 HydrophobicContact CG-CZ 4.33Å; E69-F73 HydrophobicContact CB-CD2 4.45Å; E69-F73 HydrophobicContact CB-CE2 4.32Å; E69-F73 WeakPolarHBondContact O-CD2 3.37Å; E69-F73 PolarHBondContact O-N 3.35Å; V70-F73 PolarHBondContact O-N 2.81Å; V70-F73 VanDerWaalsContact O-N 3.15Å; Q71-F73 VanDerWaalsContact C-N 3.3Å; Q71-F73 PolarHBondContact O-N 2.91Å; F73-N75 VanDerWaalsContact C-N 3.31Å; F73-N75 PolarHBondContact O-N 3.34Å; F73-K76 HydrophobicContact CD1-CD 4.26Å; F73-K76 PolarHBondContact O-N 3.32Å; F73-K76 VanDerWaalsContact O-N 3.17Å; F73-G77 PolarHBondContact O-N 3.36Å; F73-E78 HydrophobicContact CB-CB 4.29Å; F73-E78 HydrophobicContact CD1-CG 4.2Å; F73-E78 WeakPolarHBondContact CD1-OE1 3.42Å; F73-E78 WeakPolarHBondContact CD1-OE2 3.09Å; F73-E78 WeakPolarHBondContact CG-OE2 3.47Å; F73-E78 PolarHBondContact O-N 3.16Å; F73-L131 HydrophobicContact CB-CD2 3.79Å
74I85.6Confident85.6Confident2 Ų259.1 Ų59.11%0.0128%0.275CS..Hα-helixtrans-60.4-43.6169.6-65.6170.5000110.2V70 Q71 K76 G77 L97 M100 R104 L106V70-I74 HydrophobicContact CG1-CD1 3.61Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.28Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 2.86Å; Q71-I74 PolarHBondContact O-N 3.07Å; I74-K76 VanDerWaalsContact C-N 3.28Å; I74-K76 PolarHBondContact O-N 2.91Å; I74-G77 PolarHBondContact O-N 3.21Å; I74-L97 HydrophobicContact CD1-CD2 4.49Å; I74-M100 HydrophobicContact CG2-CB 4.2Å; I74-R104 HydrophobicContact CG2-CG 3.92Å; I74-L106 HydrophobicContact CD1-CD1 4.48Å; I74-L106 HydrophobicContact CG1-CD1 3.87Å; I74-L106 HydrophobicContact CG2-CD1 4.3Å
75N86Confident85.6Confident95 Ų9555.9 Ų55.951%0.50826%0.263SS..Hα-helixtrans-65.8-29.4176.4-79.5-9.7000113.5Q71 F73 G77 M100Q71-N75 WeakPolarHBondContact O-CB 3.25Å; Q71-N75 PolarHBondContact O-N 2.86Å; F73-N75 VanDerWaalsContact C-N 3.31Å; F73-N75 PolarHBondContact O-N 3.34Å; N75-G77 PolarHBondContact O-N 3Å; N75-M100 WeakPolarHBondContact OD1-CE 3.33Å
76K86.1Confident85.3Confident134 Ų13449.1 Ų49.158%0.58324%0.238SC*.THydrogen-bonded Turntrans-76.7-6.9173-75.6178.1173.6-1620113.6K72 F73 I74 E78K72-K76 VanDerWaalsContact O-CG 3.31Å; K72-K76 WeakPolarHBondContact O-CG 3.48Å; K72-K76 PolarHBondContact O-N 3.35Å; K72-K76 VanDerWaalsContact O-N 3.16Å; F73-K76 HydrophobicContact CD1-CD 4.26Å; F73-K76 PolarHBondContact O-N 3.32Å; F73-K76 VanDerWaalsContact O-N 3.17Å; I74-K76 VanDerWaalsContact C-N 3.28Å; I74-K76 PolarHBondContact O-N 2.91Å; K76-E78 VanDerWaalsContact C-N 3.34Å
77G79.4Confident85.2Confident48 Ų4848.8 Ų48.850%0.49523%0.231SC..THydrogen-bonded Turntrans76.219.4-177.200000113.8F73 I74 N75 R79F73-G77 PolarHBondContact O-N 3.36Å; I74-G77 PolarHBondContact O-N 3.21Å; N75-G77 PolarHBondContact O-N 3Å; G77-R79 PolarHBondContact O-N 2.81Å
78E81.1Confident84.9Confident54 Ų5448.3 Ų48.325%0.25223%0.228SC..  trans-69.3129.7170.9-71.9-170.9176.500109.7F73 K76 K133F73-E78 HydrophobicContact CB-CB 4.29Å; F73-E78 HydrophobicContact CD1-CG 4.2Å; F73-E78 WeakPolarHBondContact CD1-OE1 3.42Å; F73-E78 WeakPolarHBondContact CD1-OE2 3.09Å; F73-E78 WeakPolarHBondContact CG-OE2 3.47Å; F73-E78 PolarHBondContact O-N 3.16Å; K76-E78 VanDerWaalsContact C-N 3.34Å; E78-K133 IonicContact OE1-NZ 3.04Å; E78-K133 PolarHBondContact OE1-NZ 3.07Å; E78-K133 WeakPolarHBondContact OE2-CE 3.38Å; E78-K133 IonicContact OE2-NZ 2.83Å; E78-K133 PolarHBondContact OE2-NZ 3.39Å
79R79.6Confident84.4Confident183 Ų18346.7 Ų46.769%0.69122%0.224SC*.  trans-91.1142.9177.9-57.2-17673.91582.6110.2G77 L106 P134G77-R79 PolarHBondContact O-N 2.81Å; R79-L106 HydrophobicContact CB-CD2 4.21Å; R79-L106 HydrophobicContact CG-CD2 4.36Å; R79-P134 WeakPolarHBondContact O-CD 3.34Å
80G84.4Confident84.1Confident1 Ų146.7 Ų46.71%0.0123%0.23CC..  trans-175.6174.9-177.100000111.8I132 Y142G80-I132 WeakPolarHBondContact CA-O 3.01Å; G80-Y142 WeakPolarHBondContact CA-OH 3.41Å
81I85.9Confident83.4Confident1 Ų149.3 Ų49.31%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-93.1129.6168.6-66.1164.4000108.1V83 P107 I132 Y142 C145 L146I81-V83 HydrophobicContact CG2-CG2 4.23Å; I81-P107 HydrophobicContact CG1-CG 3.9Å; I81-I132 PolarHBondContact N-O 3.33Å; I81-I132 VanDerWaalsContact N-O 3.07Å; I81-I132 PolarHBondContact O-N 2.87Å; I81-Y142 HydrophobicContact CB-CE2 3.98Å; I81-Y142 HydrophobicContact CD1-CD1 4.18Å; I81-Y142 HydrophobicContact CD1-CD2 3.55Å; I81-Y142 HydrophobicContact CD1-CE1 4.02Å; I81-Y142 HydrophobicContact CD1-CE2 3.37Å; I81-Y142 HydrophobicContact CD1-CG 3.96Å; I81-Y142 HydrophobicContact CG1-CD2 4.23Å; I81-Y142 HydrophobicContact CG1-CE1 4.27Å; I81-Y142 HydrophobicContact CG1-CE2 3.52Å; I81-Y142 PolarHBondContact N-OH 3.26Å; I81-C145 HydrophobicContact CD1-CB 4.18Å; I81-L146 HydrophobicContact CD1-CB 4.05Å; I81-L146 HydrophobicContact CG1-CD1 4.46Å
82V87.3Confident83Confident0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-98123.3175.4-177.90000109.6V70 L84 P107 Y108 A109 I130 L131V70-V82 HydrophobicContact CG1-CG1 4.44Å; V82-L84 HydrophobicContact CG1-CD2 3.78Å; V82-L84 HydrophobicContact CG1-CG 3.98Å; V82-P107 PolarHBondContact N-O 2.95Å; V82-Y108 CarbonylContact O-C 3.52Å; V82-Y108 WeakPolarHBondContact O-CA 3.45Å; V82-A109 PolarHBondContact O-N 3.15Å; V82-I130 CarbonylContact C-O 3.52Å; V82-I130 WeakPolarHBondContact CA-O 3.34Å; V82-L131 HydrophobicContact CG2-CD1 3.55Å
83V87.8Confident82.6Confident0 Ų048.9 Ų48.90%025%0.252CS..EExtended strand (participates in β ladder)trans-109.8121.6175.9-176.40000108.4L50 I81 A109 I111 L117 A129 I130 I132L50-V83 HydrophobicContact CD2-CG2 4.2Å; I81-V83 HydrophobicContact CG2-CG2 4.23Å; V83-A109 WeakPolarHBondContact CA-O 3.42Å; V83-I111 HydrophobicContact CG1-CD1 3.29Å; V83-I111 HydrophobicContact CG1-CG1 3.79Å; V83-L117 HydrophobicContact CG1-CD1 3.77Å; V83-L117 HydrophobicContact CG1-CD2 4.1Å; V83-A129 CarbonylContact O-C 3.49Å; V83-A129 WeakPolarHBondContact O-CA 3.48Å; V83-I130 PolarHBondContact N-O 2.89Å; V83-I130 PolarHBondContact O-N 3.05Å; V83-I132 HydrophobicContact CG2-CD1 3.98Å
84L87.1Confident82.4Confident0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-113.6146.7-177.2-60.5175000110.1V82 L97 P98 A109 Y110 I111 C128 A129V82-L84 HydrophobicContact CG1-CD2 3.78Å; V82-L84 HydrophobicContact CG1-CG 3.98Å; L84-L97 HydrophobicContact CD2-CB 4.42Å; L84-L97 HydrophobicContact CD2-CD1 3.75Å; L84-P98 HydrophobicContact CD1-CG 4Å; L84-A109 PolarHBondContact N-O 3.42Å; L84-Y110 HydrophobicContact CB-CD1 3.59Å; L84-Y110 HydrophobicContact CB-CE1 3.54Å; L84-Y110 HydrophobicContact CB-CG 4.35Å; L84-Y110 HydrophobicContact CD1-CD1 4.42Å; L84-Y110 HydrophobicContact CD1-CE1 3.64Å; L84-Y110 HydrophobicContact CD1-CE2 4.27Å; L84-Y110 HydrophobicContact CG-CE1 4.23Å; L84-Y110 CarbonylContact O-C 3.59Å; L84-Y110 WeakPolarHBondContact O-CA 3.19Å; L84-I111 PolarHBondContact O-N 3.06Å; L84-C128 CarbonylContact C-O 3.6Å; L84-C128 WeakPolarHBondContact CA-O 3.27Å; L84-A129 HydrophobicContact CD2-CB 3.69Å
85A86.1Confident82.2Confident1 Ų150 Ų501%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-100124.7175.200000111.2T88 I111 K114 L117 C128A85-T88 PolarHBondContact O-OG1 3.32Å; A85-I111 CarbonylContact C-O 3.58Å; A85-I111 WeakPolarHBondContact CA-O 3.15Å; A85-K114 HydrophobicContact CB-CB 3.58Å; A85-L117 HydrophobicContact CB-CD2 4.31Å; A85-C128 PolarHBondContact N-O 2.87Å
86G81.7Confident82.2Confident0 Ų048.2 Ų48.20%025%0.25CS..THydrogen-bonded Turntrans-77.6-16.3-176.600000115.4N35 T88 I111N35-G86 PolarHBondContact N-O 3.41Å; N35-G86 VanDerWaalsContact N-O 3.09Å; G86-T88 VanDerWaalsContact C-N 3.26Å; G86-T88 PolarHBondContact O-N 3.24Å; G86-I111 PolarHBondContact N-O 3.2Å
87D84.1Confident82.1Confident14 Ų1441.9 Ų41.98%0.07522%0.223CC..THydrogen-bonded Turntrans-90.617.4176.474.7-42.4000113Q89 P112 K114D87-Q89 PolarHBondContact O-N 3.06Å; D87-P112 WeakPolarHBondContact CB-O 3.43Å; D87-K114 PolarHBondContact O-NZ 3.35Å; D87-K114 VanDerWaalsContact OD1-CB 3.24Å; D87-K114 WeakPolarHBondContact OD1-CB 3.47Å; D87-K114 WeakPolarHBondContact OD1-CG 3.14Å; D87-K114 PolarHBondContact OD1-N 3.41Å; D87-K114 VanDerWaalsContact OD2-CD 3.28Å; D87-K114 WeakPolarHBondContact OD2-CD 3.09Å; D87-K114 WeakPolarHBondContact OD2-CE 2.95Å; D87-K114 WeakPolarHBondContact OD2-CG 3.43Å; D87-K114 IonicContact OD2-NZ 3.69Å
88T79.4Confident82.3Confident10 Ų1040 Ų406%0.06120%0.202CC..  trans-80.6118.2179-56.30000109.8N35 A85 G86 Y94 C128N35-T88 PolarHBondContact ND2-O 3.2Å; A85-T88 PolarHBondContact O-OG1 3.32Å; G86-T88 VanDerWaalsContact C-N 3.26Å; G86-T88 PolarHBondContact O-N 3.24Å; T88-Y94 VanDerWaalsContact CB-CE1 3.48Å; T88-Y94 HydrophobicContact CG2-CD1 3.77Å; T88-Y94 HydrophobicContact CG2-CE1 3.77Å; T88-Y94 WeakPolarHBondContact O-CE1 3.4Å; T88-C128 HydrophobicContact CG2-CB 3.69Å; T88-C128 WeakPolarHBondContact OG1-CB 3.43Å
89Q74.8Confident82.5Confident150 Ų15041.2 Ų41.270%0.70121%0.213SC*.SBendtrans-110.6135.1166.1-65.9179.8-32.600107.8D87D87-Q89 PolarHBondContact O-N 3.06Å
90P80Confident82.7Confident77 Ų7734.2 Ų34.250%0.519%0.188SC..SBendcis-83.9160.7-2.232.5-32.2000113.4D92 V93P90-D92 VanDerWaalsContact C-N 3.3Å; P90-D92 PolarHBondContact O-N 3.15Å; P90-V93 HydrophobicContact CG-CG2 3.8Å; P90-V93 PolarHBondContact O-N 3.17Å
91I73.4Confident82.7Confident55 Ų5534.2 Ų34.228%0.28219%0.188SC..G310 helixtrans-68.4-29-176.3-161.3162.8000113.2N35 I37 V93 Y94 S95N35-I91 HydrophobicContact CB-CD1 3.98Å; I37-I91 HydrophobicContact CB-CD1 4.2Å; I37-I91 HydrophobicContact CD1-CD1 3.29Å; I37-I91 HydrophobicContact CD1-CG1 3.51Å; I37-I91 HydrophobicContact CG1-CD1 3.6Å; I37-I91 HydrophobicContact CG1-CG1 4.26Å; I91-V93 PolarHBondContact O-N 3.29Å; I91-V93 VanDerWaalsContact O-N 3.13Å; I91-Y94 PolarHBondContact O-N 3.36Å; I91-S95 WeakPolarHBondContact O-CB 3.28Å; I91-S95 PolarHBondContact O-N 3.24Å
92D79.6Confident82.6Confident121 Ų12137.5 Ų37.565%0.64720%0.203SC*.G310 helixtrans-63.4-22.4-177.7-56.4-60.4000113.5P90 Y94 S95P90-D92 VanDerWaalsContact C-N 3.3Å; P90-D92 PolarHBondContact O-N 3.15Å; D92-Y94 VanDerWaalsContact C-N 3.3Å; D92-Y94 PolarHBondContact O-N 3.4Å; D92-S95 PolarHBondContact O-OG 3.19Å
93V80.4Confident82.5Confident62 Ų6243.3 Ų43.338%0.37624%0.235SC..G310 helixtrans-68.5-30.1-177.5168.60000112V67 P90 I91 H96V67-V93 VanDerWaalsContact CG1-O 3.3Å; V67-V93 WeakPolarHBondContact CG1-O 3.31Å; V67-V93 HydrophobicContact CG2-CG1 3.74Å; P90-V93 HydrophobicContact CG-CG2 3.8Å; P90-V93 PolarHBondContact O-N 3.17Å; I91-V93 PolarHBondContact O-N 3.29Å; I91-V93 VanDerWaalsContact O-N 3.13Å; V93-H96 PolarHBondContact O-CE1 2.98Å
94Y81.6Confident82.2Confident1 Ų149.9 Ų49.90%0.00426%0.259CS..THydrogen-bonded Turntrans-130.50.5-175.668.1-82.7000114N35 T88 I91 D92 H96 L97 P98 Y110N35-Y94 WeakPolarHBondContact CB-OH 3.29Å; N35-Y94 PolarHBondContact ND2-OH 3.45Å; T88-Y94 VanDerWaalsContact CB-CE1 3.48Å; T88-Y94 HydrophobicContact CG2-CD1 3.77Å; T88-Y94 HydrophobicContact CG2-CE1 3.77Å; T88-Y94 WeakPolarHBondContact O-CE1 3.4Å; I91-Y94 PolarHBondContact O-N 3.36Å; D92-Y94 VanDerWaalsContact C-N 3.3Å; D92-Y94 PolarHBondContact O-N 3.4Å; Y94-H96 PolarHBondContact O-N 3.16Å; Y94-L97 WeakPolarHBondContact O-CB 3.28Å; Y94-L97 PolarHBondContact O-N 3.37Å; Y94-P98 WeakPolarHBondContact O-CD 3.34Å; Y94-Y110 HydrophobicContact CD2-CE1 4.4Å; Y94-Y110 AromaticContact CE2-CE1 3.99Å; Y94-Y110 HydrophobicContact CE2-CE1 3.99Å
95S81.6Confident81.8Confident43 Ų4355.4 Ų55.430%0.30129%0.289SS..THydrogen-bonded Turntrans-57.2-29.3177.556.50000113.9I91 D92I91-S95 WeakPolarHBondContact O-CB 3.28Å; I91-S95 PolarHBondContact O-N 3.24Å; D92-S95 PolarHBondContact O-OG 3.19Å
96H84Confident81.6Confident58 Ų5855.9 Ų55.927%0.26929%0.291SS..Hα-helixtrans-80.1-18.8176.464.4-86.6000113.6V67 V93 Y94 M100V67-H96 WeakPolarHBondContact CG1-NE2 2.98Å; V93-H96 PolarHBondContact O-CE1 2.98Å; Y94-H96 PolarHBondContact O-N 3.16Å; H96-M100 VanDerWaalsContact O-CG 3.27Å; H96-M100 WeakPolarHBondContact O-CG 3.31Å; H96-M100 PolarHBondContact O-N 3.15Å; H96-M100 VanDerWaalsContact O-N 3.15Å
97L84.8Confident81.8Confident0 Ų057.2 Ų57.20%030%0.3CS..Hα-helixtrans-66.9-47-175.6-71.5179.3000113V67 V70 I74 L84 Y94 V99 M100 C101 A129V67-L97 HydrophobicContact CB-CD1 4.45Å; V67-L97 HydrophobicContact CG1-CD1 4.07Å; V67-L97 HydrophobicContact CG1-CD2 4.2Å; V67-L97 HydrophobicContact CG1-CG 4.17Å; V67-L97 HydrophobicContact CG2-CD1 4.2Å; V70-L97 HydrophobicContact CG1-CD2 4.09Å; I74-L97 HydrophobicContact CD1-CD2 4.49Å; L84-L97 HydrophobicContact CD2-CB 4.42Å; L84-L97 HydrophobicContact CD2-CD1 3.75Å; Y94-L97 WeakPolarHBondContact O-CB 3.28Å; Y94-L97 PolarHBondContact O-N 3.37Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-V99 PolarHBondContact O-N 3.39Å; L97-M100 PolarHBondContact O-N 3.48Å; L97-C101 PolarHBondContact O-N 2.96Å; L97-C101 PolarHBondContact O-SG 2.91Å; L97-A129 HydrophobicContact CD1-CB 3.61Å
98P84.3Confident81.8Confident9 Ų957.2 Ų57.26%0.05830%0.299CS..Hα-helixtrans-58.9-43.7178.2-25.635.4000112.4L84 Y94 M100 C101 E102 Y108 Y110L84-P98 HydrophobicContact CD1-CG 4Å; Y94-P98 WeakPolarHBondContact O-CD 3.34Å; P98-M100 VanDerWaalsContact C-N 3.34Å; P98-M100 PolarHBondContact O-N 3.07Å; P98-C101 CarbonylContact O-C 3.6Å; P98-C101 WeakPolarHBondContact O-CA 3.45Å; P98-C101 WeakPolarHBondContact O-CB 2.86Å; P98-C101 PolarHBondContact O-N 2.97Å; P98-E102 PolarHBondContact O-N 3.46Å; P98-Y108 HydrophobicContact CB-CE2 4.39Å; P98-Y110 WeakPolarHBondContact CG-OH 3Å
99V84.6Confident82.1Confident79 Ų7956.7 Ų56.748%0.47930%0.296SS..Hα-helixtrans-58.4-46.8177-177.30000110.8L97 C101 E102 D103L97-V99 VanDerWaalsContact C-N 3.33Å; L97-V99 PolarHBondContact O-N 3.39Å; V99-C101 VanDerWaalsContact C-N 3.26Å; V99-C101 PolarHBondContact O-N 3.37Å; V99-E102 PolarHBondContact O-N 2.92Å; V99-D103 PolarHBondContact O-N 2.69Å
100M84.4Confident82.6Confident37 Ų3749.6 Ų49.618%0.18226%0.263CS..Hα-helixtrans-66-28.7176.1-66.3-17790.300113.1Q71 I74 N75 H96 L97 P98 R104Q71-M100 HydrophobicContact CG-CE 3.87Å; Q71-M100 HydrophobicContact CG-SD 3.83Å; I74-M100 HydrophobicContact CG2-CB 4.2Å; N75-M100 WeakPolarHBondContact OD1-CE 3.33Å; H96-M100 VanDerWaalsContact O-CG 3.27Å; H96-M100 WeakPolarHBondContact O-CG 3.31Å; H96-M100 PolarHBondContact O-N 3.15Å; H96-M100 VanDerWaalsContact O-N 3.15Å; L97-M100 PolarHBondContact O-N 3.48Å; P98-M100 VanDerWaalsContact C-N 3.34Å; P98-M100 PolarHBondContact O-N 3.07Å; M100-R104 WeakPolarHBondContact O-CG 3.35Å
101C83.8Confident82.8Confident0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-71.4-39.2174.3-64.90000110.8L97 P98 V99 R104 N105 L106 Y108L97-C101 PolarHBondContact O-N 2.96Å; L97-C101 PolarHBondContact O-SG 2.91Å; P98-C101 CarbonylContact O-C 3.6Å; P98-C101 WeakPolarHBondContact O-CA 3.45Å; P98-C101 WeakPolarHBondContact O-CB 2.86Å; P98-C101 PolarHBondContact O-N 2.97Å; V99-C101 VanDerWaalsContact C-N 3.26Å; V99-C101 PolarHBondContact O-N 3.37Å; C101-R104 CarbonylContact O-C 3.5Å; C101-R104 PolarHBondContact O-N 2.83Å; C101-N105 CarbonylContact O-C 3.57Å; C101-N105 WeakPolarHBondContact O-CA 3.32Å; C101-N105 PolarHBondContact O-N 2.78Å; C101-L106 HydrophobicContact CB-CB 4.11Å; C101-L106 PolarHBondContact O-N 2.86Å; C101-Y108 HydrophobicContact CB-CD1 3.87Å
102E83.3Confident83.2Confident70 Ų7043.6 Ų43.633%0.32723%0.227SC..Hα-helixtrans-65.8-46.1177.5-75.4166.1-171.700112P98 V99 R104 N105 Y108P98-E102 PolarHBondContact O-N 3.46Å; V99-E102 PolarHBondContact O-N 2.92Å; E102-R104 PolarHBondContact O-N 2.79Å; E102-R104 VanDerWaalsContact O-N 3.08Å; E102-N105 PolarHBondContact O-N 3.33Å; E102-Y108 HydrophobicContact CG-CE1 4.09Å; E102-Y108 PolarHBondContact OE1-OH 2.89Å
103D85.8Confident83.3Confident123 Ų12338.2 Ų38.266%0.65820%0.199SC*.Hα-helixtrans-56.5-27.4175.5-75-19.9000113.3V99V99-D103 PolarHBondContact O-N 2.69Å
104R81.4Confident83.5Confident138 Ų13838 Ų3852%0.52119%0.193SC..THydrogen-bonded Turntrans-107.44.3-179-62.2-62.4-164.5-156.1-1.3113.1I74 M100 C101 E102 L106I74-R104 HydrophobicContact CG2-CG 3.92Å; M100-R104 WeakPolarHBondContact O-CG 3.35Å; C101-R104 CarbonylContact O-C 3.5Å; C101-R104 PolarHBondContact O-N 2.83Å; E102-R104 PolarHBondContact O-N 2.79Å; E102-R104 VanDerWaalsContact O-N 3.08Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-L106 HydrophobicContact CB-CD1 4.17Å; R104-L106 HydrophobicContact CB-CG 3.94Å; R104-L106 PolarHBondContact O-N 2.86Å
105N79.2Confident83.6Confident116 Ų11641.8 Ų41.862%0.6222%0.216SC*.THydrogen-bonded Turntrans49.642.5-174-62.1100.3000113.8C101 E102C101-N105 CarbonylContact O-C 3.57Å; C101-N105 WeakPolarHBondContact O-CA 3.32Å; C101-N105 PolarHBondContact O-N 2.78Å; E102-N105 PolarHBondContact O-N 3.33Å
106L82.4Confident83.8Confident11 Ų1143.4 Ų43.46%0.05822%0.222CC..  trans-88.5131176.2-62.9177.6000110.9I74 R79 C101 R104 Y108I74-L106 HydrophobicContact CD1-CD1 4.48Å; I74-L106 HydrophobicContact CG1-CD1 3.87Å; I74-L106 HydrophobicContact CG2-CD1 4.3Å; R79-L106 HydrophobicContact CB-CD2 4.21Å; R79-L106 HydrophobicContact CG-CD2 4.36Å; C101-L106 HydrophobicContact CB-CB 4.11Å; C101-L106 PolarHBondContact O-N 2.86Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-L106 HydrophobicContact CB-CD1 4.17Å; R104-L106 HydrophobicContact CB-CG 3.94Å; R104-L106 PolarHBondContact O-N 2.86Å; L106-Y108 PolarHBondContact O-N 2.92Å
107P84.9Confident83.9Confident28 Ų2840.7 Ų40.718%0.18221%0.209CC..  trans-68132.3174.627.8-33000110.4I81 V82 L146 V149I81-P107 HydrophobicContact CG1-CG 3.9Å; V82-P107 PolarHBondContact N-O 2.95Å; P107-L146 HydrophobicContact CG-CD1 4.02Å; P107-L146 HydrophobicContact CG-CG 4.16Å; P107-V149 HydrophobicContact CB-CG1 3.85Å
108Y84.6Confident84Confident13 Ų1340.7 Ų40.75%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-132.3149.6176.968.1-93.2000112.6P40 V82 P98 C101 E102 L106 Y110 V149 P155P40-Y108 HydrophobicContact CG-CE2 4.34Å; V82-Y108 CarbonylContact O-C 3.52Å; V82-Y108 WeakPolarHBondContact O-CA 3.45Å; P98-Y108 HydrophobicContact CB-CE2 4.39Å; C101-Y108 HydrophobicContact CB-CD1 3.87Å; E102-Y108 HydrophobicContact CG-CE1 4.09Å; E102-Y108 PolarHBondContact OE1-OH 2.89Å; L106-Y108 PolarHBondContact O-N 2.92Å; Y108-Y110 HydrophobicContact CD2-CD2 4.34Å; Y108-Y110 AromaticContact CD2-CE2 3.84Å; Y108-Y110 HydrophobicContact CD2-CE2 3.84Å; Y108-Y110 HydrophobicContact CE2-CD2 4.38Å; Y108-Y110 AromaticContact CE2-CE2 3.68Å; Y108-Y110 HydrophobicContact CE2-CE2 3.68Å; Y108-V149 WeakPolarHBondContact O-CG1 3.43Å; Y108-P155 WeakPolarHBondContact OH-CD 3.44Å; Y108-P155 WeakPolarHBondContact OH-CG 3.44Å
109A85.3Confident84.1Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-139.5143177.900000112.3L50 V82 V83 L84 V149L50-A109 HydrophobicContact CD1-CB 4.13Å; V82-A109 PolarHBondContact O-N 3.15Å; V83-A109 WeakPolarHBondContact CA-O 3.42Å; L84-A109 PolarHBondContact N-O 3.42Å; A109-V149 HydrophobicContact CB-CG1 4.2Å; A109-V149 HydrophobicContact CB-CG2 3.74Å
110Y85.3Confident84.1Confident1 Ų141.3 Ų41.30%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-95.2135.8174.4-70.7-87.6000112.3I37 A38 Q39 P40 A42 L84 Y94 P98 Y108I37-Y110 WeakPolarHBondContact CG2-OH 3.49Å; I37-Y110 WeakPolarHBondContact O-CE2 2.9Å; I37-Y110 PolarHBondContact O-OH 3.48Å; A38-Y110 HydrophobicContact CB-CD1 4.14Å; A38-Y110 HydrophobicContact CB-CG 4.2Å; Q39-Y110 VanDerWaalsContact O-CE2 3.27Å; Q39-Y110 WeakPolarHBondContact O-CE2 3.38Å; P40-Y110 WeakPolarHBondContact O-CB 3.5Å; P40-Y110 PolarHBondContact O-N 3.48Å; P40-Y110 VanDerWaalsContact O-N 3.08Å; A42-Y110 WeakPolarHBondContact CB-O 3.4Å; A42-Y110 PolarHBondContact N-O 3.38Å; L84-Y110 HydrophobicContact CB-CD1 3.59Å; L84-Y110 HydrophobicContact CB-CE1 3.54Å; L84-Y110 HydrophobicContact CB-CG 4.35Å; L84-Y110 HydrophobicContact CD1-CD1 4.42Å; L84-Y110 HydrophobicContact CD1-CE1 3.64Å; L84-Y110 HydrophobicContact CD1-CE2 4.27Å; L84-Y110 HydrophobicContact CG-CE1 4.23Å; L84-Y110 CarbonylContact O-C 3.59Å; L84-Y110 WeakPolarHBondContact O-CA 3.19Å; Y94-Y110 HydrophobicContact CD2-CE1 4.4Å; Y94-Y110 AromaticContact CE2-CE1 3.99Å; Y94-Y110 HydrophobicContact CE2-CE1 3.99Å; P98-Y110 WeakPolarHBondContact CG-OH 3Å; Y108-Y110 HydrophobicContact CD2-CD2 4.34Å; Y108-Y110 AromaticContact CD2-CE2 3.84Å; Y108-Y110 HydrophobicContact CD2-CE2 3.84Å; Y108-Y110 HydrophobicContact CE2-CD2 4.38Å; Y108-Y110 AromaticContact CE2-CE2 3.68Å; Y108-Y110 HydrophobicContact CE2-CE2 3.68Å
111I84.4Confident84.1Confident0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-116.1142.1174.2-68.2-174.2000108.1A42 L50 Y51 V83 L84 A85 G86 S113 L117A42-I111 HydrophobicContact CB-CG1 4.49Å; L50-I111 HydrophobicContact CB-CD1 4.09Å; L50-I111 HydrophobicContact CD1-CD1 4.02Å; L50-I111 HydrophobicContact CD1-CG1 4.27Å; Y51-I111 HydrophobicContact CD1-CD1 4.37Å; Y51-I111 HydrophobicContact CE1-CD1 3.9Å; Y51-I111 HydrophobicContact CE1-CG2 3.9Å; Y51-I111 WeakPolarHBondContact OH-CG2 3.15Å; V83-I111 HydrophobicContact CG1-CD1 3.29Å; V83-I111 HydrophobicContact CG1-CG1 3.79Å; L84-I111 PolarHBondContact O-N 3.06Å; A85-I111 CarbonylContact C-O 3.58Å; A85-I111 WeakPolarHBondContact CA-O 3.15Å; G86-I111 PolarHBondContact N-O 3.2Å; I111-S113 VanDerWaalsContact C-N 3.3Å; I111-S113 PolarHBondContact O-N 3.38Å; I111-L117 HydrophobicContact CD1-CD1 4.28Å
112P81.3Confident84Confident6 Ų643.7 Ų43.74%0.03925%0.249CC..SBendtrans-74.5-13.6-174.428.8-37.1000115.4Y27 L30 L34 D87Y27-P112 HydrophobicContact CE2-CG 4.27Å; L30-P112 HydrophobicContact CB-CB 4.27Å; L34-P112 HydrophobicContact CD2-CB 3.91Å; D87-P112 WeakPolarHBondContact CB-O 3.43Å
113S82.4Confident83.8Confident8 Ų841.4 Ų41.46%0.05624%0.242CC..  trans-130.6117-174.3173.90000112.6I111 V115 D116 L117I111-S113 VanDerWaalsContact C-N 3.3Å; I111-S113 PolarHBondContact O-N 3.38Å; S113-V115 VanDerWaalsContact C-N 3.34Å; S113-V115 PolarHBondContact OG-N 3.31Å; S113-D116 WeakPolarHBondContact CB-OD2 3.38Å; S113-D116 PolarHBondContact OG-N 3.22Å; S113-D116 PolarHBondContact OG-OD2 3.09Å; S113-L117 PolarHBondContact O-N 3.32Å
114K83.8Confident83.2Confident56 Ų5646 Ų4624%0.24326%0.256CS..Hα-helixtrans-72.4-23.3171.168.8-162.8169.6-159.30114A85 D87 G118 P126 T127A85-K114 HydrophobicContact CB-CB 3.58Å; D87-K114 PolarHBondContact O-NZ 3.35Å; D87-K114 VanDerWaalsContact OD1-CB 3.24Å; D87-K114 WeakPolarHBondContact OD1-CB 3.47Å; D87-K114 WeakPolarHBondContact OD1-CG 3.14Å; D87-K114 PolarHBondContact OD1-N 3.41Å; D87-K114 VanDerWaalsContact OD2-CD 3.28Å; D87-K114 WeakPolarHBondContact OD2-CD 3.09Å; D87-K114 WeakPolarHBondContact OD2-CE 2.95Å; D87-K114 WeakPolarHBondContact OD2-CG 3.43Å; D87-K114 IonicContact OD2-NZ 3.69Å; K114-G118 PolarHBondContact O-N 3.13Å; K114-P126 HydrophobicContact CB-CB 4.28Å; K114-P126 HydrophobicContact CD-CB 4.18Å; K114-P126 HydrophobicContact CG-CB 3.71Å; K114-T127 PolarHBondContact O-N 3.44Å
115V84.9Confident83.2Confident81 Ų8149.1 Ų49.149%0.49127%0.267SS..Hα-helixtrans-72.2-49.8-178.8-179.60000109.1S113 L117 G118 S119S113-V115 VanDerWaalsContact C-N 3.34Å; S113-V115 PolarHBondContact OG-N 3.31Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 3.16Å; V115-G118 PolarHBondContact O-N 2.79Å; V115-S119 PolarHBondContact O-N 2.98Å; V115-S119 PolarHBondContact O-OG 3.36Å; V115-S119 VanDerWaalsContact O-OG 3.13Å
116D84.9Confident83.4Confident78 Ų7847.4 Ų47.442%0.41726%0.263SS..Hα-helixtrans-65.1-34.9178.2-63.9-52000112.1Y51 S113 S120Y51-D116 HydrophobicContact CE1-CB 3.97Å; Y51-D116 HydrophobicContact CE2-CB 4.3Å; Y51-D116 WeakPolarHBondContact OH-CB 3.38Å; S113-D116 WeakPolarHBondContact CB-OD2 3.38Å; S113-D116 PolarHBondContact OG-N 3.22Å; S113-D116 PolarHBondContact OG-OD2 3.09Å; D116-S120 WeakPolarHBondContact O-CB 3.43Å; D116-S120 PolarHBondContact O-N 3.44Å; D116-S120 PolarHBondContact O-OG 2.81Å
117L85.9Confident83.4Confident0 Ų047.5 Ų47.50%026%0.264CS..Hα-helixtrans-65.3-45.2174.6-172.161.3000111.6Y51 V54 V83 A85 I111 S113 V115 S120 A121 I130Y51-L117 HydrophobicContact CD1-CD1 4.5Å; Y51-L117 HydrophobicContact CE1-CB 4.26Å; Y51-L117 HydrophobicContact CE1-CD1 4.3Å; V54-L117 HydrophobicContact CG2-CD1 4.4Å; V83-L117 HydrophobicContact CG1-CD1 3.77Å; V83-L117 HydrophobicContact CG1-CD2 4.1Å; A85-L117 HydrophobicContact CB-CD2 4.31Å; I111-L117 HydrophobicContact CD1-CD1 4.28Å; S113-L117 PolarHBondContact O-N 3.32Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 3.16Å; L117-S120 PolarHBondContact O-N 3.02Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 3.36Å; L117-I130 HydrophobicContact CD1-CD1 3.73Å; L117-I130 HydrophobicContact CD1-CG1 4.37Å; L117-I130 HydrophobicContact CD2-CD1 4.16Å; L117-I130 HydrophobicContact CD2-CG1 4.1Å; L117-I130 HydrophobicContact CG-CD1 3.57Å; L117-I130 HydrophobicContact CG-CG1 4.08Å
118G86.8Confident83.4Confident1 Ų147.5 Ų47.51%0.0126%0.264CS..Hα-helixtrans-61.5-45.2174.900000112.6K114 V115 S120 A121 G122 S123K114-G118 PolarHBondContact O-N 3.13Å; V115-G118 PolarHBondContact O-N 2.79Å; G118-S120 PolarHBondContact O-N 3.09Å; G118-A121 PolarHBondContact O-N 2.91Å; G118-G122 PolarHBondContact O-N 3.39Å; G118-S123 CarbonylContact C-O 3.3Å; G118-S123 VanDerWaalsContact C-O 3.3Å; G118-S123 PolarHBondContact O-N 3.18Å; G118-S123 VanDerWaalsContact O-O 3.06Å
119S86.8Confident83.5Confident78 Ų7846.9 Ų46.955%0.54526%0.261SS..Hα-helixtrans-60.5-43.3176.2-65.60000112V115 A121 G122V115-S119 PolarHBondContact O-N 2.98Å; V115-S119 PolarHBondContact O-OG 3.36Å; V115-S119 VanDerWaalsContact O-OG 3.13Å; S119-A121 VanDerWaalsContact C-N 3.28Å; S119-A121 PolarHBondContact O-N 3.48Å; S119-G122 PolarHBondContact O-N 3.39Å; S119-G122 VanDerWaalsContact O-N 3.1Å
120S85.1Confident83.6Confident22 Ų2246.9 Ų46.915%0.15426%0.261CS..Hα-helixtrans-65.4-32.1177.2-61.30000112.4Y51 K55 D116 L117 G118 G122Y51-S120 WeakPolarHBondContact CD1-OG 3.47Å; K55-S120 WeakPolarHBondContact CA-O 3.18Å; D116-S120 WeakPolarHBondContact O-CB 3.43Å; D116-S120 PolarHBondContact O-N 3.44Å; D116-S120 PolarHBondContact O-OG 2.81Å; L117-S120 PolarHBondContact O-N 3.02Å; G118-S120 PolarHBondContact O-N 3.09Å; S120-G122 PolarHBondContact O-N 2.62Å
121A83.8Confident83.8Confident17 Ų1746.8 Ų46.814%0.1426%0.261CS..THydrogen-bonded Turntrans-78.80.4175.700000113.9V54 L117 G118 S119 S123 I130V54-A121 HydrophobicContact CG1-CB 4.1Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 3.36Å; G118-A121 PolarHBondContact O-N 2.91Å; S119-A121 VanDerWaalsContact C-N 3.28Å; S119-A121 PolarHBondContact O-N 3.48Å; A121-S123 VanDerWaalsContact C-N 3.35Å; A121-I130 HydrophobicContact CB-CD1 3.56Å
122G81.8Confident83.9Confident70 Ų7046.9 Ų46.972%0.72226%0.262SS*.THydrogen-bonded Turntrans75.620.9-178.700000114.1G118 S119 S120G118-G122 PolarHBondContact O-N 3.39Å; S119-G122 PolarHBondContact O-N 3.39Å; S119-G122 VanDerWaalsContact O-N 3.1Å; S120-G122 PolarHBondContact O-N 2.62Å
123S78.5Confident84.1Confident23 Ų2348.4 Ų48.416%0.16127%0.268CS..  trans-109.7137.9178.5-179.40000111G118 A121 R125G118-S123 CarbonylContact C-O 3.3Å; G118-S123 VanDerWaalsContact C-O 3.3Å; G118-S123 PolarHBondContact O-N 3.18Å; G118-S123 VanDerWaalsContact O-O 3.06Å; A121-S123 VanDerWaalsContact C-N 3.35Å; S123-R125 PolarHBondContact O-N 2.81Å; S123-R125 PolarHBondContact OG-N 3.38Å; S123-R125 VanDerWaalsContact OG-N 3.16Å; S123-R125 PolarHBondContact OG-O 3.46Å
124K74.8Confident84Confident219 Ų21951.1 Ų51.195%0.95229%0.285SS*.SBendtrans-77-11.9171.8-147.9167.5-173.5174.80112.7
125R81.3Confident83.8Confident203 Ų20351.5 Ų51.577%0.76629%0.288SS*.SBendtrans-97137175.3-64.3-166.6-170.1-113.53.8110.6S123 T127S123-R125 PolarHBondContact O-N 2.81Å; S123-R125 PolarHBondContact OG-N 3.38Å; S123-R125 VanDerWaalsContact OG-N 3.16Å; S123-R125 PolarHBondContact OG-O 3.46Å; R125-T127 PolarHBondContact O-OG1 3.13Å
126P82.8Confident83.2Confident81 Ų8152.6 Ų52.653%0.52629%0.294SS..  trans-58.6140.3174.325-33000110K114K114-P126 HydrophobicContact CB-CB 4.28Å; K114-P126 HydrophobicContact CD-CB 4.18Å; K114-P126 HydrophobicContact CG-CB 3.71Å
127T83.2Confident82.7Confident13 Ų1354.3 Ų54.38%0.0830%0.303CS..  trans-122.4128.9-178-56.90000109R65 K114 R125 A129 I130R65-T127 HydrophobicContact CB-CG2 4.25Å; K114-T127 PolarHBondContact O-N 3.44Å; R125-T127 PolarHBondContact O-OG1 3.13Å; T127-A129 VanDerWaalsContact CG2-O 3.3Å; T127-A129 WeakPolarHBondContact CG2-O 3.41Å; T127-I130 HydrophobicContact CG2-CD1 4.16Å; T127-I130 HydrophobicContact CG2-CG1 3.7Å
128C84Confident82.1Confident27 Ų2754.6 Ų54.618%0.18231%0.305CS..SBendtrans-86.3-30.7-176.748.30000113.8V67 L84 A85 T88V67-C128 VanDerWaalsContact CG2-SG 3.6Å; L84-C128 CarbonylContact C-O 3.6Å; L84-C128 WeakPolarHBondContact CA-O 3.27Å; A85-C128 PolarHBondContact N-O 2.87Å; T88-C128 HydrophobicContact CG2-CB 3.69Å; T88-C128 WeakPolarHBondContact OG1-CB 3.43Å
129A86.5Confident81.5Confident0 Ų058.6 Ų58.60%032%0.323CS..EExtended strand (participates in β ladder)trans-140.5135.4-177.400000110.6G66 V67 V70 V83 L84 L97 T127G66-A129 PolarHBondContact N-O 3.28Å; V67-A129 HydrophobicContact CG2-CB 4.35Å; V70-A129 HydrophobicContact CG2-CB 4.3Å; V83-A129 CarbonylContact O-C 3.49Å; V83-A129 WeakPolarHBondContact O-CA 3.48Å; L84-A129 HydrophobicContact CD2-CB 3.69Å; L97-A129 HydrophobicContact CD1-CB 3.61Å; T127-A129 VanDerWaalsContact CG2-O 3.3Å; T127-A129 WeakPolarHBondContact CG2-O 3.41Å
130I88.3Confident81Confident0 Ų061.1 Ų61.10%033%0.331CS..EExtended strand (participates in β ladder)trans-134.1131.5177.8-63.9-166.1000108.8V54 I63 R64 V82 V83 L117 A121 T127 I132V54-I130 HydrophobicContact CG1-CD1 4.31Å; I63-I130 HydrophobicContact CG2-CG2 3.3Å; R64-I130 WeakPolarHBondContact O-CA 3.46Å; V82-I130 CarbonylContact C-O 3.52Å; V82-I130 WeakPolarHBondContact CA-O 3.34Å; V83-I130 PolarHBondContact N-O 2.89Å; V83-I130 PolarHBondContact O-N 3.05Å; L117-I130 HydrophobicContact CD1-CD1 3.73Å; L117-I130 HydrophobicContact CD1-CG1 4.37Å; L117-I130 HydrophobicContact CD2-CD1 4.16Å; L117-I130 HydrophobicContact CD2-CG1 4.1Å; L117-I130 HydrophobicContact CG-CD1 3.57Å; L117-I130 HydrophobicContact CG-CG1 4.08Å; A121-I130 HydrophobicContact CB-CD1 3.56Å; T127-I130 HydrophobicContact CG2-CD1 4.16Å; T127-I130 HydrophobicContact CG2-CG1 3.7Å; I130-I132 HydrophobicContact CG2-CG1 4.24Å
131L88Confident80.6Confident0 Ų061.3 Ų61.30%033%0.333CS..EExtended strand (participates in β ladder)trans-105.4120.5168.6176.878.1000108.4R64 V70 F73 V82R64-L131 HydrophobicContact CB-CB 4.18Å; R64-L131 HydrophobicContact CG-CD2 4.33Å; R64-L131 PolarHBondContact N-O 3.15Å; R64-L131 PolarHBondContact O-N 3.44Å; V70-L131 HydrophobicContact CG1-CB 4.34Å; V70-L131 HydrophobicContact CG2-CB 3.9Å; F73-L131 HydrophobicContact CB-CD2 3.79Å; V82-L131 HydrophobicContact CG2-CD1 3.55Å
132I86.9Confident80.4Confident2 Ų261.1 Ų61.11%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-95121.9174-53173000107.3V54 A57 G80 I81 V83 I130 Y138 Y142V54-I132 HydrophobicContact CG2-CD1 3.52Å; V54-I132 HydrophobicContact CG2-CG1 4.15Å; A57-I132 HydrophobicContact CB-CG2 4.04Å; G80-I132 WeakPolarHBondContact CA-O 3.01Å; I81-I132 PolarHBondContact N-O 3.33Å; I81-I132 VanDerWaalsContact N-O 3.07Å; I81-I132 PolarHBondContact O-N 2.87Å; V83-I132 HydrophobicContact CG2-CD1 3.98Å; I130-I132 HydrophobicContact CG2-CG1 4.24Å; I132-Y138 HydrophobicContact CG2-CE2 3.89Å; I132-Y142 HydrophobicContact CB-CE2 4.45Å; I132-Y142 HydrophobicContact CG2-CD2 4.05Å; I132-Y142 HydrophobicContact CG2-CE2 4.2Å
133K85.3Confident80.3Confident38 Ų3861.2 Ų61.217%0.16531%0.313CS..PPolyproline II helixtrans-80.7147.2173.5-64.3-174174.9-150.60110.2N62 E78 H135 Y138N62-K133 WeakPolarHBondContact O-CB 3.3Å; N62-K133 PolarHBondContact O-N 3.32Å; E78-K133 IonicContact OE1-NZ 3.04Å; E78-K133 PolarHBondContact OE1-NZ 3.07Å; E78-K133 WeakPolarHBondContact OE2-CE 3.38Å; E78-K133 IonicContact OE2-NZ 2.83Å; E78-K133 PolarHBondContact OE2-NZ 3.39Å; K133-H135 PolarHBondContact O-N 2.99Å; K133-Y138 VanDerWaalsContact O-CE2 3.22Å; K133-Y138 WeakPolarHBondContact O-CE2 3.29Å; K133-Y138 PolarHBondContact O-OH 3.22Å
134P80.3Confident80.3Confident64 Ų6465 Ų6542%0.41633%0.328SS..PPolyproline II helixtrans-65.1131.9167.128.3-33.1000109.3R79 Y142R79-P134 WeakPolarHBondContact O-CD 3.34Å; P134-Y142 HydrophobicContact CB-CE1 4.12Å
135H79.1Confident80.5Confident65 Ų6554.8 Ų54.830%0.30128%0.284SS..  trans-145.8149.9173.8-163-95.2000109.4N62 K133 D137 Y138 Q139N62-H135 PolarHBondContact ND2-CD2 3.36Å; N62-H135 PolarHBondContact ND2-NE2 3Å; K133-H135 PolarHBondContact O-N 2.99Å; H135-D137 IonicContact CE1-OD2 2.75Å; H135-D137 PolarHBondContact CE1-OD2 3.38Å; H135-D137 IonicContact ND1-OD1 2.99Å; H135-D137 IonicContact ND1-OD2 3.41Å; H135-D137 PolarHBondContact ND1-OD2 3.04Å; H135-D137 PolarHBondContact O-N 3.36Å; H135-D137 VanDerWaalsContact O-N 3.14Å; H135-Y138 HydrophobicContact CB-CD1 4.31Å; H135-Y138 HydrophobicContact CB-CE1 3.52Å; H135-Y138 HydrophobicContact CB-CE2 4.17Å; H135-Y138 VanDerWaalsContact CB-CZ 3.42Å; H135-Y138 WeakPolarHBondContact CB-OH 3.45Å; H135-Y138 PolarHBondContact O-N 2.91Å; H135-Q139 PolarHBondContact O-N 3.17Å
136T73.9Confident80.2Confident103 Ų10347.6 Ų47.663%0.63226%0.26SS*.G310 helixtrans-58.7-28.1-174.345.70000114Y138T136-Y138 VanDerWaalsContact C-N 3.3Å; T136-Y138 PolarHBondContact O-N 3.25Å
137D73.6Confident79.9Confident114 Ų11448 Ų4861%0.6126%0.259SS*.G310 helixtrans-75.8-15.5-174.4-51.2-34.9000114.5H135H135-D137 IonicContact CE1-OD2 2.75Å; H135-D137 PolarHBondContact CE1-OD2 3.38Å; H135-D137 IonicContact ND1-OD1 2.99Å; H135-D137 IonicContact ND1-OD2 3.41Å; H135-D137 PolarHBondContact ND1-OD2 3.04Å; H135-D137 PolarHBondContact O-N 3.36Å; H135-D137 VanDerWaalsContact O-N 3.14Å
138Y72.7Confident79.5Confident6 Ų650.2 Ų50.22%0.02427%0.268CS..G310 helixtrans-143.125.5-177.752.1-92.8000111.9K56 A57 N62 I132 K133 H135 T136 A141 Y142K56-Y138 HydrophobicContact CB-CD1 4.49Å; A57-Y138 HydrophobicContact CB-CD1 4.38Å; A57-Y138 HydrophobicContact CB-CD2 4.48Å; A57-Y138 HydrophobicContact CB-CE1 3.75Å; A57-Y138 HydrophobicContact CB-CE2 3.85Å; A57-Y138 VanDerWaalsContact CB-CZ 3.45Å; N62-Y138 WeakPolarHBondContact CB-OH 3.44Å; I132-Y138 HydrophobicContact CG2-CE2 3.89Å; K133-Y138 VanDerWaalsContact O-CE2 3.22Å; K133-Y138 WeakPolarHBondContact O-CE2 3.29Å; K133-Y138 PolarHBondContact O-OH 3.22Å; H135-Y138 HydrophobicContact CB-CD1 4.31Å; H135-Y138 HydrophobicContact CB-CE1 3.52Å; H135-Y138 HydrophobicContact CB-CE2 4.17Å; H135-Y138 VanDerWaalsContact CB-CZ 3.42Å; H135-Y138 WeakPolarHBondContact CB-OH 3.45Å; H135-Y138 PolarHBondContact O-N 2.91Å; T136-Y138 VanDerWaalsContact C-N 3.3Å; T136-Y138 PolarHBondContact O-N 3.25Å; Y138-A141 PolarHBondContact O-N 3.09Å; Y138-Y142 VanDerWaalsContact O-CB 3.25Å; Y138-Y142 WeakPolarHBondContact O-CB 3.48Å; Y138-Y142 PolarHBondContact O-N 2.88Å
139Q74.8Confident79Confident85 Ų8549.4 Ų49.440%0.39726%0.262SS..Hα-helixtrans-63.7-44.2-174.3-155.8160.7-5.800111.6H135 A141 Y142 D143H135-Q139 PolarHBondContact O-N 3.17Å; Q139-A141 PolarHBondContact O-N 3.45Å; Q139-Y142 CarbonylContact O-C 3.48Å; Q139-Y142 WeakPolarHBondContact O-CA 3.38Å; Q139-Y142 WeakPolarHBondContact O-CB 3.45Å; Q139-Y142 PolarHBondContact O-N 2.94Å; Q139-Y142 VanDerWaalsContact O-N 3.08Å; Q139-D143 PolarHBondContact O-N 3.11Å
140D77.1Confident78.1Confident132 Ų13252.3 Ų52.371%0.70628%0.282SS*.Hα-helixtrans-59.4-44.6177.9-50.6-84.5000112.6Y142 D143 E144D140-Y142 VanDerWaalsContact C-N 3.3Å; D140-Y142 PolarHBondContact O-N 2.81Å; D140-D143 PolarHBondContact O-N 3Å; D140-E144 PolarHBondContact O-N 3.31Å; D140-E144 VanDerWaalsContact O-N 3.07Å
141A76.8Confident76.8Confident25 Ų2559.7 Ų59.721%0.20732%0.316CS..Hα-helixtrans-72.5-28.5179.500000112.1C53 Y138 Q139 C145C53-A141 VanDerWaalsContact SG-CB 3.55Å; Y138-A141 PolarHBondContact O-N 3.09Å; Q139-A141 PolarHBondContact O-N 3.45Å; A141-C145 WeakPolarHBondContact O-CB 3.42Å; A141-C145 PolarHBondContact O-N 3.21Å; A141-C145 PolarHBondContact O-SG 3.44Å
142Y78.9Confident75.7Confident14 Ų1461.3 Ų61.36%0.05533%0.325CS..Hα-helixtrans-71.4-44.3175.1177.5-84.3000111G80 I81 I132 P134 Y138 Q139 D140 C145 L146G80-Y142 WeakPolarHBondContact CA-OH 3.41Å; I81-Y142 HydrophobicContact CB-CE2 3.98Å; I81-Y142 HydrophobicContact CD1-CD1 4.18Å; I81-Y142 HydrophobicContact CD1-CD2 3.55Å; I81-Y142 HydrophobicContact CD1-CE1 4.02Å; I81-Y142 HydrophobicContact CD1-CE2 3.37Å; I81-Y142 HydrophobicContact CD1-CG 3.96Å; I81-Y142 HydrophobicContact CG1-CD2 4.23Å; I81-Y142 HydrophobicContact CG1-CE1 4.27Å; I81-Y142 HydrophobicContact CG1-CE2 3.52Å; I81-Y142 PolarHBondContact N-OH 3.26Å; I132-Y142 HydrophobicContact CB-CE2 4.45Å; I132-Y142 HydrophobicContact CG2-CD2 4.05Å; I132-Y142 HydrophobicContact CG2-CE2 4.2Å; P134-Y142 HydrophobicContact CB-CE1 4.12Å; Y138-Y142 VanDerWaalsContact O-CB 3.25Å; Y138-Y142 WeakPolarHBondContact O-CB 3.48Å; Y138-Y142 PolarHBondContact O-N 2.88Å; Q139-Y142 CarbonylContact O-C 3.48Å; Q139-Y142 WeakPolarHBondContact O-CA 3.38Å; Q139-Y142 WeakPolarHBondContact O-CB 3.45Å; Q139-Y142 PolarHBondContact O-N 2.94Å; Q139-Y142 VanDerWaalsContact O-N 3.08Å; D140-Y142 VanDerWaalsContact C-N 3.3Å; D140-Y142 PolarHBondContact O-N 2.81Å; Y142-C145 PolarHBondContact O-N 3.38Å; Y142-L146 HydrophobicContact CE1-CD1 3.78Å; Y142-L146 WeakPolarHBondContact O-CB 3.31Å; Y142-L146 PolarHBondContact O-N 3.05Å
143D79Confident74Confident71 Ų7166.1 Ų66.138%0.3836%0.356SS..Hα-helixtrans-66.1-42.3178.4-72.2-41.4000111.1Q139 D140 C145 L146 D147Q139-D143 PolarHBondContact O-N 3.11Å; D140-D143 PolarHBondContact O-N 3Å; D143-C145 VanDerWaalsContact C-N 3.32Å; D143-C145 PolarHBondContact O-N 2.81Å; D143-L146 WeakPolarHBondContact O-CB 3.42Å; D143-L146 PolarHBondContact O-N 3.42Å; D143-D147 PolarHBondContact O-N 3.29Å
144E79.9Confident72.4Confident103 Ų10370.5 Ų70.548%0.48138%0.375SS..Hα-helixtrans-56.9-44.7171-80.3-173.1-152.700112.6K49 D140 L146 E148K49-E144 IonicContact NZ-OE2 2.69Å; K49-E144 PolarHBondContact NZ-OE2 3.02Å; D140-E144 PolarHBondContact O-N 3.31Å; D140-E144 VanDerWaalsContact O-N 3.07Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 3.45Å; E144-E148 WeakPolarHBondContact O-CB 3.17Å; E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.49Å
145C77.3Confident70.9Confident4 Ų470.4 Ų70.43%0.02738%0.375CS..Hα-helixtrans-66.6-35.7177.2-69.50000110.9L50 I81 A141 Y142 D143 V149L50-C145 HydrophobicContact CD2-CB 3.98Å; I81-C145 HydrophobicContact CD1-CB 4.18Å; A141-C145 WeakPolarHBondContact O-CB 3.42Å; A141-C145 PolarHBondContact O-N 3.21Å; A141-C145 PolarHBondContact O-SG 3.44Å; Y142-C145 PolarHBondContact O-N 3.38Å; D143-C145 VanDerWaalsContact C-N 3.32Å; D143-C145 PolarHBondContact O-N 2.81Å; C145-V149 WeakPolarHBondContact O-CB 3.38Å; C145-V149 WeakPolarHBondContact O-CG2 3.3Å; C145-V149 PolarHBondContact O-N 2.97Å
146L76.9Confident69Low52 Ų5278.4 Ų78.427%0.27242%0.419SS..Hα-helixtrans-66.5-44.3178.6-170.2144.2000111I81 P107 Y142 D143 E144 V149 S150I81-L146 HydrophobicContact CD1-CB 4.05Å; I81-L146 HydrophobicContact CG1-CD1 4.46Å; P107-L146 HydrophobicContact CG-CD1 4.02Å; P107-L146 HydrophobicContact CG-CG 4.16Å; Y142-L146 HydrophobicContact CE1-CD1 3.78Å; Y142-L146 WeakPolarHBondContact O-CB 3.31Å; Y142-L146 PolarHBondContact O-N 3.05Å; D143-L146 WeakPolarHBondContact O-CB 3.42Å; D143-L146 PolarHBondContact O-N 3.42Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 3.45Å; L146-V149 PolarHBondContact O-N 3.1Å; L146-S150 VanDerWaalsContact O-CB 3.26Å; L146-S150 WeakPolarHBondContact O-CB 3.24Å; L146-S150 PolarHBondContact O-N 2.72Å; L146-S150 PolarHBondContact O-OG 3.41Å
147D76.4Confident68.7Low91 Ų9177.2 Ų77.249%0.48741%0.408SS..Hα-helixtrans-60.4-49.9175.3-79.8-44.6000110.6D143 V149 S150 H151D143-D147 PolarHBondContact O-N 3.29Å; D147-V149 VanDerWaalsContact C-N 3.3Å; D147-V149 PolarHBondContact O-N 3.31Å; D147-S150 PolarHBondContact O-N 3.18Å; D147-S150 PolarHBondContact O-OG 3.49Å; D147-H151 PolarHBondContact O-N 3.4Å; D147-H151 VanDerWaalsContact O-N 3.1Å; D147-H151 PolarHBondContact O-ND1 3.18Å
148E73.6Confident68.5Low59 Ų5975.3 Ų75.328%0.27640%0.397SS..Hα-helixtrans-63.4-35.6179.2-72173.415700112.6L46 K49 E144L46-E148 HydrophobicContact CD1-CB 4.39Å; L46-E148 HydrophobicContact CD2-CB 3.47Å; L46-E148 VanDerWaalsContact CD2-CB 3.47Å; L46-E148 HydrophobicContact CD2-CG 3.64Å; L46-E148 WeakPolarHBondContact CD2-OE2 3.37Å; K49-E148 WeakPolarHBondContact CD-OE2 3.19Å; K49-E148 IonicContact NZ-OE1 2.88Å; K49-E148 PolarHBondContact NZ-OE1 3.13Å; K49-E148 IonicContact NZ-OE2 3.92Å; K49-E148 PolarHBondContact NZ-OE2 2.92Å; E144-E148 WeakPolarHBondContact O-CB 3.17Å; E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.49Å
149V73.6Confident68.3Low9 Ų979.1 Ų79.16%0.05542%0.418CS..Hα-helixtrans-76.2-31.8177.3172.10000112P107 Y108 A109 C145 L146 D147 H151 L152P107-V149 HydrophobicContact CB-CG1 3.85Å; Y108-V149 WeakPolarHBondContact O-CG1 3.43Å; A109-V149 HydrophobicContact CB-CG1 4.2Å; A109-V149 HydrophobicContact CB-CG2 3.74Å; C145-V149 WeakPolarHBondContact O-CB 3.38Å; C145-V149 WeakPolarHBondContact O-CG2 3.3Å; C145-V149 PolarHBondContact O-N 2.97Å; L146-V149 PolarHBondContact O-N 3.1Å; D147-V149 VanDerWaalsContact C-N 3.3Å; D147-V149 PolarHBondContact O-N 3.31Å; V149-H151 VanDerWaalsContact C-N 3.31Å; V149-L152 WeakPolarHBondContact O-CB 3.39Å; V149-L152 PolarHBondContact O-N 3.19Å
150S67.5Low67.9Low61 Ų6178.8 Ų78.843%0.42742%0.419SS..Hα-helixtrans-71.2-27.3175.673.60000113.1L146 D147 L152L146-S150 VanDerWaalsContact O-CB 3.26Å; L146-S150 WeakPolarHBondContact O-CB 3.24Å; L146-S150 PolarHBondContact O-N 2.72Å; L146-S150 PolarHBondContact O-OG 3.41Å; D147-S150 PolarHBondContact O-N 3.18Å; D147-S150 PolarHBondContact O-OG 3.49Å; S150-L152 VanDerWaalsContact C-N 3.28Å
151H62Low67.3Low155 Ų15575.4 Ų75.472%0.71840%0.401SS*.THydrogen-bonded Turntrans-77-14.8173.6-78.176.4000113.1D147 V149D147-H151 PolarHBondContact O-N 3.4Å; D147-H151 VanDerWaalsContact O-N 3.1Å; D147-H151 PolarHBondContact O-ND1 3.18Å; V149-H151 VanDerWaalsContact C-N 3.31Å
152L63.6Low66.7Low35 Ų3578.8 Ų78.818%0.18341%0.414CS..SBendtrans-73.1132.9172-70.3169.4000109.2P40 L46 V149 S150 K154P40-L152 HydrophobicContact CB-CB 3.57Å; P40-L152 HydrophobicContact CB-CD1 4Å; P40-L152 HydrophobicContact CB-CD2 4.26Å; P40-L152 HydrophobicContact CB-CG 4.14Å; P40-L152 HydrophobicContact CG-CB 3.83Å; P40-L152 HydrophobicContact CG-CD1 4.23Å; L46-L152 HydrophobicContact CD1-CD1 4.21Å; V149-L152 WeakPolarHBondContact O-CB 3.39Å; V149-L152 PolarHBondContact O-N 3.19Å; S150-L152 VanDerWaalsContact C-N 3.28Å; L152-K154 PolarHBondContact O-N 3.16Å; L152-K154 VanDerWaalsContact O-N 3.1Å
153P51.8Low65.8Low102 Ų10283.4 Ų83.466%0.66244%0.44SS*.PPolyproline II helixtrans-63.1120.1-176.725.2-32.3000109.1
154K51.9Low64.8Low131 Ų13184.4 Ų84.457%0.5745%0.445SS*.PPolyproline II helixtrans-59133.9161.5-64.7171.2-175163.60106.8L152 L156L152-K154 PolarHBondContact O-N 3.16Å; L152-K154 VanDerWaalsContact O-N 3.1Å; K154-L156 PolarHBondContact O-N 3.47Å
155P48.9Very low63.5Low62 Ų6282.8 Ų82.840%0.40344%0.441SS..  trans-68.683.4171.428.6-30000108.7Y108Y108-P155 WeakPolarHBondContact OH-CD 3.44Å; Y108-P155 WeakPolarHBondContact OH-CG 3.44Å
156L38.5Very low62.2Low233 Ų23390 Ų90100%1.2248%0.479SS*.  trans66.20173.6-68.9159.6000116.7K154K154-L156 PolarHBondContact O-N 3.47Å

Retrieved 156 of 156 residues in 208.4 ms (Link to these results)

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