A0A096LXB6_POEFO Loading...

Protein phosphatase 1 regulatory subunit 1A

Inhibitor of protein-phosphatase 1. This protein may be important in hormonal control of glycogen metabolism. Hormones that elevate intracellular cAMP increase I-1 activity in many tissues. I-1 activation may impose cAMP control over proteins that are not directly phosphorylated by PKA. Following a rise in intracellular calcium, I-1 is inactivated by calcineurin (or PP2B). Does not inhibit type-2 phosphatases.

AlphaFold DB , UniProt , Accession A0A096LXB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.7Low73.7Confident233 Ų233160.8 Ų160.8100%1.14882%0.824SS**  098.60-54.8-69.7-172.600106.3T3M1-T3 PolarHBondContact O-N 2.88Å
2E61.8Low74.5Confident196 Ų196157.8 Ų157.892%0.91682%0.818SS**  trans-75.9110.2179.7-169.6166.7113.800108G4E2-G4 VanDerWaalsContact C-N 3.25Å; E2-G4 PolarHBondContact O-N 3.31Å
3T63.5Low75.2Confident139 Ų139155.3 Ų155.385%0.85381%0.814SS**  trans-76.784.5-179.152.80000108.8M1M1-T3 PolarHBondContact O-N 2.88Å
4G61.7Low75.3Confident59 Ų59151.3 Ų151.361%0.60880%0.802SS**  trans-66.1144.6-172.200000115.5E2E2-G4 VanDerWaalsContact C-N 3.25Å; E2-G4 PolarHBondContact O-N 3.31Å
5S76.8Confident75.2Confident105 Ų105152.5 Ų152.573%0.73481%0.807SS**  trans54.8127154.4-155.40000119.5R7S5-R7 PolarHBondContact O-N 3.39Å; S5-R7 VanDerWaalsContact O-N 3.15Å
6P79.6Confident74.8Confident123 Ų123152.2 Ų152.280%0.79981%0.805SS**PPolyproline II helixtrans-56.4119.7174.7-18.529000111.1K8P6-K8 PolarHBondContact O-N 3.15Å
7R82.1Confident74.3Confident236 Ų236152.3 Ų152.389%0.89181%0.807SS**PPolyproline II helixtrans-73.1123.9177.3-72.3-177.6169.8-166.6-3.2109.7S5 I9S5-R7 PolarHBondContact O-N 3.39Å; S5-R7 VanDerWaalsContact O-N 3.15Å; R7-I9 PolarHBondContact O-N 3.36Å
8K82.8Confident73.9Confident197 Ų197151.1 Ų151.186%0.85781%0.806SS**PPolyproline II helixtrans-73118.6170-70.1-178.168.9177.20108.7P6P6-K8 PolarHBondContact O-N 3.15Å
9I82.3Confident73.7Confident131 Ų131152.1 Ų152.167%0.67281%0.805SS**PPolyproline II helixtrans-81.6128.9170.5-56.4171.2000107R7 F11R7-I9 PolarHBondContact O-N 3.36Å; I9-F11 HydrophobicContact CB-CE2 4.22Å; I9-F11 HydrophobicContact CG2-CD2 4.24Å; I9-F11 HydrophobicContact CG2-CE1 4.18Å; I9-F11 HydrophobicContact CG2-CE2 3.79Å; I9-F11 HydrophobicContact CG2-CZ 3.77Å
10Q83.6Confident73.5Confident169 Ų169150.2 Ų150.279%0.7980%0.795SS**  trans-101.4112.6172.8-65.3-175.721.300107.9
11F81.8Confident73.9Confident181 Ų181147.5 Ų147.579%0.79478%0.781SS**PPolyproline II helixtrans-85.1121.1170.2-65.5-81.3000108.1I9I9-F11 HydrophobicContact CB-CE2 4.22Å; I9-F11 HydrophobicContact CG2-CD2 4.24Å; I9-F11 HydrophobicContact CG2-CE1 4.18Å; I9-F11 HydrophobicContact CG2-CE2 3.79Å; I9-F11 HydrophobicContact CG2-CZ 3.77Å
12T83.1Confident75Confident124 Ų124141 Ų14176%0.76176%0.756SS**PPolyproline II helixtrans-99.9128.9168.754.70000107.7P14T12-P14 WeakPolarHBondContact O-CD 3.44Å
13V83.3Confident76Confident126 Ų126138.9 Ų138.976%0.76475%0.746SS**PPolyproline II helixtrans-82.6121174.4173.80000107L15V13-L15 PolarHBondContact O-N 3.29Å
14P77.5Confident76.9Confident99 Ų99133.9 Ų133.964%0.64372%0.719SS**PPolyproline II helixtrans-60.5127.1173-19.331.5000109.2T12 L16T12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-L16 PolarHBondContact O-N 3.49Å
15L73.8Confident77.8Confident169 Ų169132.8 Ų132.889%0.88570%0.704SS**  trans-69.1101.5170.8-62.7175.6000106.8V13V13-L15 PolarHBondContact O-N 3.29Å
16L68.7Low78Confident148 Ų148133.7 Ų133.778%0.77570%0.697SS**  trans-75.5129.7171.7-63.4177.1000108.1P14 T18P14-L16 PolarHBondContact O-N 3.49Å; L16-T18 PolarHBondContact O-N 3.37Å
17D66.8Low78.4Confident154 Ų154132.7 Ų132.782%0.82468%0.682SS**  trans-61.6110.3171.6-75.9-40.2000108.7H19D17-H19 PolarHBondContact O-N 3.3Å; D17-H19 VanDerWaalsContact O-N 3.16Å
18T66.3Low78.3Confident131 Ų131124.4 Ų124.480%0.80465%0.654SS**  trans-72.3-0.6178.650.10000112.8L16 L20L16-T18 PolarHBondContact O-N 3.37Å; T18-L20 PolarHBondContact O-N 3.21Å
19H69.9Low78.3Confident169 Ų169120.5 Ų120.578%0.78263%0.634SS**  trans-86.153.7-175.2-158.8-80000112D17D17-H19 PolarHBondContact O-N 3.3Å; D17-H19 VanDerWaalsContact O-N 3.16Å
20L69.1Low78.4Confident114 Ų114124.8 Ų124.860%0.59764%0.642SS**  trans-69.5139.6157.5-73160.3000107.6T18T18-L20 PolarHBondContact O-N 3.21Å
21D82.8Confident78.6Confident95 Ų95125.7 Ų125.751%0.50864%0.638SS.*  trans-49.3128.6176-178-13.8000110.1E23 A24 A25D21-E23 PolarHBondContact O-N 3.18Å; D21-E23 VanDerWaalsContact O-N 3.11Å; D21-E23 PolarHBondContact OD1-N 3.01Å; D21-E23 VanDerWaalsContact OD1-N 3.08Å; D21-A24 HydrophobicContact CB-CB 4Å; D21-A24 WeakPolarHBondContact O-CA 3.34Å; D21-A24 WeakPolarHBondContact O-CB 3.48Å; D21-A24 PolarHBondContact O-N 3.47Å; D21-A25 PolarHBondContact O-N 3.04Å
22P78.5Confident78.6Confident96 Ų96123.5 Ų123.562%0.62362%0.624SS**Hα-helixtrans-46.7-39177-30.134.4000113.8A25 E26P22-A25 PolarHBondContact O-N 3.02Å; P22-E26 PolarHBondContact O-N 3.16Å
23E82.8Confident78.1Confident152 Ų152124 Ų12471%0.7163%0.63SS**Hα-helixtrans-68.8-41.2178.8-171.6173.617400111.7D21 E26 Q27D21-E23 PolarHBondContact O-N 3.18Å; D21-E23 VanDerWaalsContact O-N 3.11Å; D21-E23 PolarHBondContact OD1-N 3.01Å; D21-E23 VanDerWaalsContact OD1-N 3.08Å; E23-E26 PolarHBondContact O-N 3.39Å; E23-Q27 PolarHBondContact O-N 3.3Å
24A81.6Confident77.5Confident33 Ų33123.3 Ų123.327%0.27363%0.626SS.*Hα-helixtrans-67.1-38.8176.700000112D21 E26 Q27 I28D21-A24 HydrophobicContact CB-CB 4Å; D21-A24 WeakPolarHBondContact O-CA 3.34Å; D21-A24 WeakPolarHBondContact O-CB 3.48Å; D21-A24 PolarHBondContact O-N 3.47Å; A24-E26 VanDerWaalsContact C-N 3.32Å; A24-E26 PolarHBondContact O-N 3.15Å; A24-Q27 PolarHBondContact O-N 2.83Å; A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 3.07Å
25A80.1Confident76.6Confident37 Ų37122.5 Ų122.531%0.30662%0.621SS.*Hα-helixtrans-60.6-42.4176.100000111.3D21 P22 R29D21-A25 PolarHBondContact O-N 3.04Å; P22-A25 PolarHBondContact O-N 3.02Å; A25-R29 VanDerWaalsContact O-CG 3.29Å; A25-R29 WeakPolarHBondContact O-CG 3.45Å; A25-R29 PolarHBondContact O-N 3Å; A25-R29 VanDerWaalsContact O-N 3.1Å
26E82.5Confident76.1Confident123 Ų123117.8 Ų117.858%0.57561%0.606SS**Hα-helixtrans-66.5-39.4173.8-72.2-165.5169.800112.8P22 E23 A24 I28 R29 R30P22-E26 PolarHBondContact O-N 3.16Å; E23-E26 PolarHBondContact O-N 3.39Å; A24-E26 VanDerWaalsContact C-N 3.32Å; A24-E26 PolarHBondContact O-N 3.15Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.81Å; E26-R29 WeakPolarHBondContact O-CB 3.44Å; E26-R29 PolarHBondContact O-N 2.96Å; E26-R29 VanDerWaalsContact O-N 3.17Å; E26-R30 WeakPolarHBondContact O-CB 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 2.82Å
27Q88.1Confident75.6Confident103 Ų103114.1 Ų114.148%0.48159%0.59SS.*Hα-helixtrans-62.6-41.4178-155-176.729.500111.8E23 A24 R30 R31E23-Q27 PolarHBondContact O-N 3.3Å; A24-Q27 PolarHBondContact O-N 2.83Å; Q27-R30 PolarHBondContact O-N 2.74Å; Q27-R31 WeakPolarHBondContact O-CB 3.48Å; Q27-R31 VanDerWaalsContact O-CG 3.28Å; Q27-R31 WeakPolarHBondContact O-CG 3.18Å; Q27-R31 PolarHBondContact O-N 3.15Å
28I79.9Confident75.4Confident62 Ų62114.4 Ų114.432%0.31859%0.59SS.*Hα-helixtrans-61.5-44.6173-68.3168.2000110.6A24 E26 R30 R31 R32A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 3.07Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.81Å; I28-R30 VanDerWaalsContact C-N 3.33Å; I28-R30 PolarHBondContact O-N 3.08Å; I28-R31 PolarHBondContact O-N 3.3Å; I28-R32 VanDerWaalsContact CG2-NE 3.34Å; I28-R32 WeakPolarHBondContact O-CB 3.5Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.48Å; I28-R32 PolarHBondContact O-N 2.98Å; I28-R32 VanDerWaalsContact O-N 3.1Å
29R81.8Confident74.8Confident114 Ų114112.2 Ų112.243%0.4358%0.577SS.*Hα-helixtrans-62.7-37.8177.9-72.4172.166.21655.1112.7A25 E26 T37A25-R29 VanDerWaalsContact O-CG 3.29Å; A25-R29 WeakPolarHBondContact O-CG 3.45Å; A25-R29 PolarHBondContact O-N 3Å; A25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 WeakPolarHBondContact O-CB 3.44Å; E26-R29 PolarHBondContact O-N 2.96Å; E26-R29 VanDerWaalsContact O-N 3.17Å; R29-T37 HydrophobicContact CG-CG2 4.42Å; R29-T37 VanDerWaalsContact NE-CG2 3.28Å; R29-T37 VanDerWaalsContact NH2-CG2 3.26Å
30R84.9Confident74.1Confident222 Ų222107.4 Ų107.484%0.83857%0.566SS**Hα-helixtrans-75.7-33.8-179.9-76.5178.6142.9-141.9-4.3113.3E26 Q27 I28E26-R30 WeakPolarHBondContact O-CB 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 2.82Å; Q27-R30 PolarHBondContact O-N 2.74Å; I28-R30 VanDerWaalsContact C-N 3.33Å; I28-R30 PolarHBondContact O-N 3.08Å
31R87.3Confident73Confident187 Ų187106 Ų10671%0.70657%0.566SS**Hα-helixtrans-79-20.3177.6-70176.8-177-138.18112.9Q27 I28 P33Q27-R31 WeakPolarHBondContact O-CB 3.48Å; Q27-R31 VanDerWaalsContact O-CG 3.28Å; Q27-R31 WeakPolarHBondContact O-CG 3.18Å; Q27-R31 PolarHBondContact O-N 3.15Å; I28-R31 PolarHBondContact O-N 3.3Å; R31-P33 WeakPolarHBondContact O-CD 3.5Å
32R81.9Confident71.5Confident135 Ų135107.4 Ų107.451%0.50958%0.583SS.*SBendtrans-86.8118.5176.3-70.8177.2-177.3178.34.4109.7I28 T34I28-R32 VanDerWaalsContact CG2-NE 3.34Å; I28-R32 WeakPolarHBondContact O-CB 3.5Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.48Å; I28-R32 PolarHBondContact O-N 2.98Å; I28-R32 VanDerWaalsContact O-N 3.1Å; R32-T34 WeakPolarHBondContact CB-O 3.11Å; R32-T34 PolarHBondContact O-N 3.23Å
33P72.9Confident70.1Confident135 Ų135108.2 Ų108.288%0.87758%0.582SS**SBendtrans-63.5-13.6178.723.2-31.3000113.3R31R31-P33 WeakPolarHBondContact O-CD 3.5Å
34T70.4Confident68.7Low111 Ų111110.1 Ų110.168%0.68159%0.591SS**SBendtrans-121.8116.5167.6-42.60000108R32 A36R32-T34 WeakPolarHBondContact CB-O 3.11Å; R32-T34 PolarHBondContact O-N 3.23Å; T34-A36 PolarHBondContact O-N 2.91Å
35P58.2Low66.9Low83 Ų83112.3 Ų112.354%0.53961%0.605SS.*  trans-73.793.1179.928.7-32.5000109.1T37P35-T37 PolarHBondContact O-N 3.24Å
36A62.9Low65.1Low69 Ų69115.3 Ų115.357%0.5762%0.624SS**  trans-75.284.2161.100000107.5T34 L38T34-A36 PolarHBondContact O-N 2.91Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.14Å
37T60.1Low63.7Low71 Ų71115.1 Ų115.144%0.43663%0.633SS.*  trans-7692.3163.853.50000107.7R29 P35 V39R29-T37 HydrophobicContact CG-CG2 4.42Å; R29-T37 VanDerWaalsContact NE-CG2 3.28Å; R29-T37 VanDerWaalsContact NH2-CG2 3.26Å; P35-T37 PolarHBondContact O-N 3.24Å; T37-V39 PolarHBondContact O-N 2.74Å
38L61.2Low62.2Low160 Ų160117.9 Ų117.984%0.83865%0.646SS**  trans-84.965.3151.4-139169.5000106.6A36 A40A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.14Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 HydrophobicContact CD2-CB 4.29Å; L38-A40 PolarHBondContact O-N 3.08Å
39V54.4Low61.3Low86 Ų86118.4 Ų118.452%0.52165%0.649SS.*  trans-78.6100155.9177.60000102.8T37 S41T37-V39 PolarHBondContact O-N 2.74Å; V39-S41 WeakPolarHBondContact CG1-OG 3.23Å; V39-S41 PolarHBondContact O-N 2.95Å
40A55.3Low60.2Low67 Ų67116.2 Ų116.255%0.55465%0.645SS**  trans-65.582.6159.500000105.9L38 S42L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 HydrophobicContact CD2-CB 4.29Å; L38-A40 PolarHBondContact O-N 3.08Å; A40-S42 PolarHBondContact O-N 2.89Å
41S45.9Very low59Low84 Ų84110.1 Ų110.159%0.58763%0.626SS**  trans-62.990162-52.90000105.7V39 D43V39-S41 WeakPolarHBondContact CG1-OG 3.23Å; V39-S41 PolarHBondContact O-N 2.95Å; S41-D43 PolarHBondContact O-N 3.32Å
42S51.1Low57.9Low126 Ų126108.7 Ų108.788%0.88163%0.633SS**  trans-6849.3143.6-54.60000108.7A40A40-S42 PolarHBondContact O-N 2.89Å
43D48.6Very low57.1Low112 Ų112112 Ų11260%0.59965%0.645SS**  trans-114.6106.5171.6-156.68.7000105.1S41 S45S41-D43 PolarHBondContact O-N 3.32Å; D43-S45 PolarHBondContact O-N 2.67Å
44Q53.9Low56.6Low192 Ų192108.8 Ų108.890%0.89762%0.62SS**SBendtrans-60.966.8165-80.7-91.116.900109.1
45S42.8Very low56.9Low79 Ų79107.3 Ų107.355%0.55261%0.613SS**  trans178.390149.552.80000108.4D43D43-S45 PolarHBondContact O-N 2.67Å
46S43.8Very low57.3Low101 Ų101108.8 Ų108.871%0.70662%0.616SS**  -47134127-830000105.6E48S46-E48 PolarHBondContact O-N 3.18Å
47P52.6Low57.6Low119 Ų119113.6 Ų113.677%0.77363%0.627SS**  trans-65.679151.729.8-27000103.9I49P47-I49 PolarHBondContact O-N 3.2Å
48E55.9Low58.2Low161 Ų161114.9 Ų114.975%0.75263%0.63SS**  trans-50.994.5138.6-168.9168.1-150.800101.6S46 D50S46-E48 PolarHBondContact O-N 3.18Å; E48-D50 PolarHBondContact O-N 2.72Å
49I60.8Low58.8Low73 Ų73110 Ų11037%0.37460%0.601SS.*  trans-42.293.3144.639.2-177.7000103.1P47 E51 L54 Y59P47-I49 PolarHBondContact O-N 3.2Å; I49-E51 WeakPolarHBondContact O-CG 3.45Å; I49-E51 PolarHBondContact O-N 3.41Å; I49-L54 HydrophobicContact CG2-CD1 4.31Å; I49-Y59 HydrophobicContact CD1-CD2 4.4Å; I49-Y59 HydrophobicContact CD1-CE2 3.68Å
50D59.1Low59.5Low68 Ų68112 Ų11236%0.36460%0.603SS.*  trans-56.5100.7173.8166.913.9000102.6E48 D52 R53 L54E48-D50 PolarHBondContact O-N 2.72Å; D50-D52 PolarHBondContact O-N 2.82Å; D50-D52 PolarHBondContact OD1-N 2.72Å; D50-R53 HydrophobicContact CB-CB 3.75Å; D50-R53 HydrophobicContact CB-CG 4.34Å; D50-R53 WeakPolarHBondContact O-CB 3.32Å; D50-R53 PolarHBondContact O-N 2.83Å; D50-R53 VanDerWaalsContact OD2-CB 3.23Å; D50-R53 WeakPolarHBondContact OD2-CB 3.35Å; D50-R53 WeakPolarHBondContact OD2-CD 3.18Å; D50-R53 WeakPolarHBondContact OD2-CG 3.29Å; D50-R53 IonicContact OD2-NE 3.8Å; D50-L54 PolarHBondContact O-N 3.48Å
51E60.8Low60.4Low93 Ų93110.8 Ų110.844%0.43559%0.593SS.*THydrogen-bonded Turntrans-57.6-21.2-169.1-67.6-78.1154.500109.2I49 Y59I49-E51 WeakPolarHBondContact O-CG 3.45Å; I49-E51 PolarHBondContact O-N 3.41Å; E51-Y59 WeakPolarHBondContact OE1-CE2 2.92Å; E51-Y59 PolarHBondContact OE1-OH 3.3Å; E51-Y59 WeakPolarHBondContact OE2-CE2 3.1Å; E51-Y59 PolarHBondContact OE2-OH 3.05Å
52D62.4Low61.7Low157 Ų157109.2 Ų109.284%0.8459%0.585SS**THydrogen-bonded Turntrans-94.6-13.8178.3-61.5-34.7000113.9D50D50-D52 PolarHBondContact O-N 2.82Å; D50-D52 PolarHBondContact OD1-N 2.72Å
53R65.6Low62.6Low206 Ų206106.6 Ų106.678%0.77756%0.56SS**THydrogen-bonded Turntrans-83.3-31.8177.5-120.4176.9-173.9-114.3-0.8113.6D50D50-R53 HydrophobicContact CB-CB 3.75Å; D50-R53 HydrophobicContact CB-CG 4.34Å; D50-R53 WeakPolarHBondContact O-CB 3.32Å; D50-R53 PolarHBondContact O-N 2.83Å; D50-R53 VanDerWaalsContact OD2-CB 3.23Å; D50-R53 WeakPolarHBondContact OD2-CB 3.35Å; D50-R53 WeakPolarHBondContact OD2-CD 3.18Å; D50-R53 WeakPolarHBondContact OD2-CG 3.29Å; D50-R53 IonicContact OD2-NE 3.8Å
54L63Low63.6Low66 Ų66106.9 Ų106.935%0.34656%0.562SS.*SBendtrans-95.3128.5-178.5-78.4166.8000109.8I49 D50 N56 L58I49-L54 HydrophobicContact CG2-CD1 4.31Å; D50-L54 PolarHBondContact O-N 3.48Å; L54-N56 PolarHBondContact O-N 2.92Å; L54-L58 HydrophobicContact CD2-CB 4.42Å; L54-L58 HydrophobicContact CD2-CD1 4.39Å
55P77.5Confident64.3Low81 Ų81102.4 Ų102.453%0.52654%0.544SS..  trans-49.1130.2168.7-23.229000110.2Q57 L58 Y59P55-Q57 CarbonylContact O-C 3.6Å; P55-Q57 PolarHBondContact O-N 3.45Å; P55-L58 HydrophobicContact CG-CD1 4.2Å; P55-L58 WeakPolarHBondContact O-CA 3.47Å; P55-L58 WeakPolarHBondContact O-CB 3.31Å; P55-L58 PolarHBondContact O-N 3.4Å; P55-Y59 PolarHBondContact O-N 3Å
56N65.2Low65.4Low114 Ų114100.1 Ų100.161%0.6153%0.528SS*.Hα-helixtrans-47.2-28.6-175.5-166.2-40.4000113.8L54 Y59 K60L54-N56 PolarHBondContact O-N 2.92Å; N56-Y59 WeakPolarHBondContact O-CB 3.49Å; N56-K60 PolarHBondContact O-N 3.11Å
57Q70.3Confident66.3Low169 Ų169100.3 Ų100.379%0.7953%0.527SS*.Hα-helixtrans-67.7-41173.9-62.9-164.350.400113.9P55 Y59 A61P55-Q57 CarbonylContact O-C 3.6Å; P55-Q57 PolarHBondContact O-N 3.45Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-A61 PolarHBondContact O-N 3.48Å
58L71.4Confident66.8Low99 Ų99106.2 Ų106.252%0.51853%0.534SS..Hα-helixtrans-71.9-31177.6-65.2-177.5000111.5L54 P55 A61 A62L54-L58 HydrophobicContact CD2-CB 4.42Å; L54-L58 HydrophobicContact CD2-CD1 4.39Å; P55-L58 HydrophobicContact CG-CD1 4.2Å; P55-L58 WeakPolarHBondContact O-CA 3.47Å; P55-L58 WeakPolarHBondContact O-CB 3.31Å; P55-L58 PolarHBondContact O-N 3.4Å; L58-A61 PolarHBondContact O-N 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.46Å
59Y73.4Confident67.1Low56 Ų56103.8 Ų103.822%0.2252%0.522CS..Hα-helixtrans-59.1-50.9174179.8-107000112.2I49 E51 P55 N56 Q57 A61 A62 L63I49-Y59 HydrophobicContact CD1-CD2 4.4Å; I49-Y59 HydrophobicContact CD1-CE2 3.68Å; E51-Y59 WeakPolarHBondContact OE1-CE2 2.92Å; E51-Y59 PolarHBondContact OE1-OH 3.3Å; E51-Y59 WeakPolarHBondContact OE2-CE2 3.1Å; E51-Y59 PolarHBondContact OE2-OH 3.05Å; P55-Y59 PolarHBondContact O-N 3Å; N56-Y59 WeakPolarHBondContact O-CB 3.49Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-A61 VanDerWaalsContact C-N 3.29Å; Y59-A61 PolarHBondContact O-N 3.19Å; Y59-A62 PolarHBondContact O-N 3Å; Y59-A62 VanDerWaalsContact O-N 3.15Å; Y59-L63 HydrophobicContact CD1-CD1 3.98Å; Y59-L63 HydrophobicContact CE1-CD1 3.42Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.42Å; Y59-L63 HydrophobicContact CE1-CG 4.19Å; Y59-L63 HydrophobicContact CE2-CD1 4.5Å; Y59-L63 HydrophobicContact CE2-CG 4.48Å; Y59-L63 PolarHBondContact O-N 3.37Å
60K70.1Confident67.1Low130 Ų130108.8 Ų108.857%0.56554%0.536SS*.Hα-helixtrans-60.5-40177.2-67.1-176.1-178.2-174.60111.9N56 L64N56-K60 PolarHBondContact O-N 3.11Å; K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.42Å; K60-L64 PolarHBondContact O-N 3.17Å
61A73.1Confident67.2Low41 Ų41116.2 Ų116.234%0.33956%0.559SS.*Hα-helixtrans-65.7-40.617600000112.2Q57 L58 Y59 L64 N65Q57-A61 PolarHBondContact O-N 3.48Å; L58-A61 PolarHBondContact O-N 3.29Å; Y59-A61 VanDerWaalsContact C-N 3.29Å; Y59-A61 PolarHBondContact O-N 3.19Å; A61-L64 PolarHBondContact O-N 2.95Å; A61-N65 WeakPolarHBondContact O-CB 3.47Å; A61-N65 PolarHBondContact O-N 3.1Å; A61-N65 PolarHBondContact O-ND2 3.45Å
62A73.4Confident67.3Low51 Ų51121.6 Ų121.642%0.42158%0.581SS.*Hα-helixtrans-64.1-41.1177.700000112L58 Y59 N65 S66L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.46Å; Y59-A62 PolarHBondContact O-N 3Å; Y59-A62 VanDerWaalsContact O-N 3.15Å; A62-N65 PolarHBondContact O-N 2.89Å; A62-S66 PolarHBondContact O-N 2.8Å; A62-S66 VanDerWaalsContact O-N 3.08Å
63L70.3Confident67.3Low70 Ų70116.8 Ų116.837%0.36657%0.569SS.*Hα-helixtrans-60-50.7175.1-71.3178.6000111.8Y59 N65 S66 Q69Y59-L63 HydrophobicContact CD1-CD1 3.98Å; Y59-L63 HydrophobicContact CE1-CD1 3.42Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.42Å; Y59-L63 HydrophobicContact CE1-CG 4.19Å; Y59-L63 HydrophobicContact CE2-CD1 4.5Å; Y59-L63 HydrophobicContact CE2-CG 4.48Å; Y59-L63 PolarHBondContact O-N 3.37Å; L63-N65 PolarHBondContact O-N 2.99Å; L63-S66 WeakPolarHBondContact O-CB 3.43Å; L63-S66 PolarHBondContact O-N 3.49Å; L63-S66 PolarHBondContact O-OG 3.37Å; L63-Q69 PolarHBondContact O-OE1 3.47Å
64L69.1Low67.4Low119 Ų119116.9 Ų116.962%0.62358%0.578SS**Hα-helixtrans-62.7-28.4179.9-69.4173.4000113.3K60 A61 Q69K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.42Å; K60-L64 PolarHBondContact O-N 3.17Å; A61-L64 PolarHBondContact O-N 2.95Å; L64-Q69 VanDerWaalsContact CA-OE1 3.29Å
65N69.1Low67.4Low98 Ų98123.8 Ų123.852%0.52461%0.605SS.*Hα-helixtrans-89.8-4.3176.5-74.6-71.4000113.5A61 A62 L63 R70A61-N65 WeakPolarHBondContact O-CB 3.47Å; A61-N65 PolarHBondContact O-N 3.1Å; A61-N65 PolarHBondContact O-ND2 3.45Å; A62-N65 PolarHBondContact O-N 2.89Å; L63-N65 PolarHBondContact O-N 2.99Å; N65-R70 VanDerWaalsContact O-CD 3.28Å; N65-R70 WeakPolarHBondContact O-CD 3.28Å
66S67.1Low67.4Low31 Ų31122.8 Ų122.822%0.21761%0.61CS.*  trans-61.3133.5-179.275.90000110.3A62 L63 R68 Q69 R70A62-S66 PolarHBondContact O-N 2.8Å; A62-S66 VanDerWaalsContact O-N 3.08Å; L63-S66 WeakPolarHBondContact O-CB 3.43Å; L63-S66 PolarHBondContact O-N 3.49Å; L63-S66 PolarHBondContact O-OG 3.37Å; S66-R68 PolarHBondContact O-N 3.16Å; S66-Q69 PolarHBondContact O-N 2.99Å; S66-Q69 PolarHBondContact OG-N 3.04Å; S66-R70 WeakPolarHBondContact O-CG 3.26Å; S66-R70 PolarHBondContact O-N 3.22Å; S66-R70 VanDerWaalsContact O-N 3.16Å
67P63Low68.2Low105 Ų105123.7 Ų123.768%0.68262%0.62SS**Hα-helixtrans-52.4-28.4176.2-28.134.9000113.2R70 R71P67-R70 PolarHBondContact O-N 3.47Å; P67-R71 PolarHBondContact O-N 2.9Å
68R61.9Low68.8Low243 Ų243119.3 Ų119.392%0.91761%0.606SS**Hα-helixtrans-65.5-33.5179-137170.4174.4178.5-3.2112.9S66S66-R68 PolarHBondContact O-N 3.16Å
69Q62.7Low69.8Low110 Ų110118.1 Ų118.151%0.51460%0.603SS.*Hα-helixtrans-88.8-26.6173.1-73.4-166.6-39.600113.1L63 L64 S66 R71L63-Q69 PolarHBondContact O-OE1 3.47Å; L64-Q69 VanDerWaalsContact CA-OE1 3.29Å; S66-Q69 PolarHBondContact O-N 2.99Å; S66-Q69 PolarHBondContact OG-N 3.04Å; Q69-R71 VanDerWaalsContact C-N 3.34Å; Q69-R71 PolarHBondContact O-N 3.03Å
70R60.2Low70.8Confident178 Ų178121.6 Ų121.667%0.67262%0.622SS**Hα-helixtrans-78.4-9.4-174.7-67.2-179.567.2-1772.4115N65 S66 P67 K72N65-R70 VanDerWaalsContact O-CD 3.28Å; N65-R70 WeakPolarHBondContact O-CD 3.28Å; S66-R70 WeakPolarHBondContact O-CG 3.26Å; S66-R70 PolarHBondContact O-N 3.22Å; S66-R70 VanDerWaalsContact O-N 3.16Å; P67-R70 PolarHBondContact O-N 3.47Å; R70-K72 PolarHBondContact O-N 3.45Å
71R61.4Low72Confident224 Ų224123.4 Ų123.485%0.84563%0.63SS**  trans-91.966.6176.5-67.6-72175.9-179.7-2.7111.6P67 Q69 G73P67-R71 PolarHBondContact O-N 2.9Å; Q69-R71 VanDerWaalsContact C-N 3.34Å; Q69-R71 PolarHBondContact O-N 3.03Å; R71-G73 VanDerWaalsContact C-N 3.28Å; R71-G73 PolarHBondContact O-N 2.8Å
72K62.6Low73Confident206 Ų206126.7 Ų126.790%0.89664%0.639SS**  trans-93.662.7157.2-70.8-82.1-173.9175.30108.4R70R70-K72 PolarHBondContact O-N 3.45Å
73G63.2Low74Confident56 Ų56127.5 Ų127.558%0.57764%0.636SS**  trans-95.5148172.500000110.3R71 K75R71-G73 VanDerWaalsContact C-N 3.28Å; R71-G73 PolarHBondContact O-N 2.8Å; G73-K75 PolarHBondContact O-N 2.97Å
74Q67.1Low75.2Confident208 Ų208129.6 Ų129.697%0.97264%0.643SS**SBendtrans-51.411.7-170.7-77.6166.3-76.300119
75K63.3Low76.5Confident210 Ų210130.5 Ų130.591%0.91364%0.642SS**  trans-122.462.9175.1-55.2-144.2-177.6-150.80110.2G73G73-K75 PolarHBondContact O-N 2.97Å
76G77.1Confident77.7Confident60 Ų60131.3 Ų131.362%0.61965%0.646SS**SBendtrans-96.5153.4163.500000109.7
77T81.5Confident79Confident134 Ų134134.6 Ų134.682%0.82267%0.665SS**PPolyproline II helixtrans-57130.1164.7490000108.3T79T77-T79 PolarHBondContact O-N 2.96Å
78P84.7Confident80.5Confident76 Ų76136.2 Ų136.249%0.49466%0.663SS.*PPolyproline II helixtrans-58.3140.4-177.625.9-35000110E82 L83P78-E82 HydrophobicContact CB-CB 4.49Å; P78-L83 HydrophobicContact CB-CD2 4.01Å; P78-L83 HydrophobicContact CB-CG 4.08Å; P78-L83 HydrophobicContact CG-CD1 4.43Å; P78-L83 HydrophobicContact CG-CD2 3.69Å; P78-L83 HydrophobicContact CG-CG 4.05Å
79T91.6Very high82Confident75 Ų75128.7 Ų128.746%0.4664%0.639SS.*PPolyproline II helixtrans-70.7155.4174.967.10000110.1T77 K81 E82 L83T77-T79 PolarHBondContact O-N 2.96Å; T79-K81 PolarHBondContact O-N 2.98Å; T79-K81 VanDerWaalsContact O-N 3.12Å; T79-E82 WeakPolarHBondContact CB-OE2 3.32Å; T79-E82 WeakPolarHBondContact CG2-OE2 3.47Å; T79-E82 PolarHBondContact N-OE2 3.06Å; T79-E82 PolarHBondContact O-N 2.88Å; T79-E82 VanDerWaalsContact OG1-CG 3.26Å; T79-E82 WeakPolarHBondContact OG1-CG 3.33Å; T79-E82 PolarHBondContact OG1-N 3.45Å; T79-E82 PolarHBondContact OG1-OE2 3.29Å; T79-L83 PolarHBondContact O-N 3.17Å
80M95.4Very high83.5Confident128 Ų128129.3 Ų129.363%0.63164%0.641SS**Hα-helixtrans-55.7-31.8177.5-76.2-57.6-57.800113.4L83 Q84M80-L83 HydrophobicContact SD-CD1 4.17Å; M80-Q84 WeakPolarHBondContact O-CB 3.46Å; M80-Q84 WeakPolarHBondContact O-CG 3.39Å; M80-Q84 PolarHBondContact O-N 3.45Å; M80-Q84 PolarHBondContact O-NE2 2.86Å
81K94.7Very high85Confident169 Ų169125 Ų12574%0.73563%0.631SS**Hα-helixtrans-71.7-39.1177-68.2-174.2175.9-176.20112.3T79 Q84 F85T79-K81 PolarHBondContact O-N 2.98Å; T79-K81 VanDerWaalsContact O-N 3.12Å; K81-Q84 PolarHBondContact O-N 3.1Å; K81-F85 WeakPolarHBondContact O-CB 3.5Å; K81-F85 PolarHBondContact O-N 3.43Å
82E93.3Very high86.1Confident109 Ų109121.3 Ų121.351%0.50962%0.618SS.*Hα-helixtrans-67.1-39.3175.6-71161.5154.500111.1P78 T79 F85 L86P78-E82 HydrophobicContact CB-CB 4.49Å; T79-E82 WeakPolarHBondContact CB-OE2 3.32Å; T79-E82 WeakPolarHBondContact CG2-OE2 3.47Å; T79-E82 PolarHBondContact N-OE2 3.06Å; T79-E82 PolarHBondContact O-N 2.88Å; T79-E82 VanDerWaalsContact OG1-CG 3.26Å; T79-E82 WeakPolarHBondContact OG1-CG 3.33Å; T79-E82 PolarHBondContact OG1-N 3.45Å; T79-E82 PolarHBondContact OG1-OE2 3.29Å; E82-F85 PolarHBondContact O-N 3.36Å; E82-L86 WeakPolarHBondContact O-CB 3.5Å; E82-L86 PolarHBondContact O-N 2.85Å
83L94.9Very high87.2Confident69 Ų69118.3 Ų118.336%0.36160%0.601SS.*Hα-helixtrans-62.3-46173.2-70.3175.8000111.8P78 T79 M80 F85 L86 V87P78-L83 HydrophobicContact CB-CD2 4.01Å; P78-L83 HydrophobicContact CB-CG 4.08Å; P78-L83 HydrophobicContact CG-CD1 4.43Å; P78-L83 HydrophobicContact CG-CD2 3.69Å; P78-L83 HydrophobicContact CG-CG 4.05Å; T79-L83 PolarHBondContact O-N 3.17Å; M80-L83 HydrophobicContact SD-CD1 4.17Å; L83-F85 VanDerWaalsContact C-N 3.33Å; L83-F85 PolarHBondContact O-N 2.76Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-V87 WeakPolarHBondContact O-CB 3.49Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.2Å; L83-V87 PolarHBondContact O-N 3.3Å
84Q95.8Very high88Confident113 Ų113122 Ų12253%0.52860%0.603SS.*Hα-helixtrans-57.3-47.2175.6-74.516434.800111.3M80 K81 L86 V87 E88M80-Q84 WeakPolarHBondContact O-CB 3.46Å; M80-Q84 WeakPolarHBondContact O-CG 3.39Å; M80-Q84 PolarHBondContact O-N 3.45Å; M80-Q84 PolarHBondContact O-NE2 2.86Å; K81-Q84 PolarHBondContact O-N 3.1Å; Q84-L86 PolarHBondContact O-N 3.46Å; Q84-V87 PolarHBondContact O-N 3.46Å; Q84-E88 WeakPolarHBondContact O-CB 3.45Å; Q84-E88 PolarHBondContact O-N 3.32Å
85F95.1Very high88.5Confident138 Ų138118.9 Ų118.961%0.60559%0.589SS**Hα-helixtrans-61.1-42.8176.9-180-98.1000112.5K81 E82 L83 V87 E88 H89K81-F85 WeakPolarHBondContact O-CB 3.5Å; K81-F85 PolarHBondContact O-N 3.43Å; E82-F85 PolarHBondContact O-N 3.36Å; L83-F85 VanDerWaalsContact C-N 3.33Å; L83-F85 PolarHBondContact O-N 2.76Å; F85-V87 PolarHBondContact O-N 3.07Å; F85-E88 PolarHBondContact O-N 3.35Å; F85-H89 WeakPolarHBondContact O-CB 3.45Å; F85-H89 PolarHBondContact O-N 2.76Å
86L95.3Very high88.9Confident116 Ų116114.7 Ų114.761%0.60757%0.572SS**Hα-helixtrans-65.8-39.6-179.8-158.271.9000111.9E82 L83 Q84 H90E82-L86 WeakPolarHBondContact O-CB 3.5Å; E82-L86 PolarHBondContact O-N 2.85Å; L83-L86 PolarHBondContact O-N 3.35Å; Q84-L86 PolarHBondContact O-N 3.46Å; L86-H90 WeakPolarHBondContact O-CB 3.44Å; L86-H90 PolarHBondContact O-N 2.95Å
87V94.6Very high87.8Confident100 Ų100114.1 Ų114.161%0.60657%0.567SS**Hα-helixtrans-67.7-47.5176170.40000111L83 Q84 F85 H89 H90 L91L83-V87 WeakPolarHBondContact O-CB 3.49Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.2Å; L83-V87 PolarHBondContact O-N 3.3Å; Q84-V87 PolarHBondContact O-N 3.46Å; F85-V87 PolarHBondContact O-N 3.07Å; V87-H89 VanDerWaalsContact C-N 3.35Å; V87-H89 PolarHBondContact O-N 3.22Å; V87-H90 PolarHBondContact O-N 3.07Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 PolarHBondContact O-N 3.16Å
88E94.3Very high86.6Confident138 Ų138113.4 Ų113.465%0.64557%0.574SS**Hα-helixtrans-60.5-45.8178.2-176176.1-175.700111.1Q84 F85 H90 L91 Y92Q84-E88 WeakPolarHBondContact O-CB 3.45Å; Q84-E88 PolarHBondContact O-N 3.32Å; F85-E88 PolarHBondContact O-N 3.35Å; E88-H90 VanDerWaalsContact C-N 3.35Å; E88-H90 PolarHBondContact O-N 2.98Å; E88-L91 PolarHBondContact O-N 2.98Å; E88-Y92 VanDerWaalsContact O-CB 3.29Å; E88-Y92 WeakPolarHBondContact O-CB 3.28Å; E88-Y92 PolarHBondContact O-N 2.7Å
89H93.9Very high85.1Confident86 Ų86113.4 Ų113.440%0.39859%0.588SS.*Hα-helixtrans-60.7-42.3175.8-179.3-90.6000112.2F85 V87 Y92 R93F85-H89 WeakPolarHBondContact O-CB 3.45Å; F85-H89 PolarHBondContact O-N 2.76Å; V87-H89 VanDerWaalsContact C-N 3.35Å; V87-H89 PolarHBondContact O-N 3.22Å; H89-Y92 PolarHBondContact O-N 3.34Å; H89-R93 WeakPolarHBondContact O-CB 3.12Å; H89-R93 VanDerWaalsContact O-CG 3.22Å; H89-R93 WeakPolarHBondContact O-CG 3.37Å; H89-R93 PolarHBondContact O-N 3.08Å
90H93.6Very high83.1Confident122 Ų122116.2 Ų116.257%0.56560%0.6SS**Hα-helixtrans-63.3-45.4176.7-179.178.1000112L86 V87 E88 Y92 R93 Q94L86-H90 WeakPolarHBondContact O-CB 3.44Å; L86-H90 PolarHBondContact O-N 2.95Å; V87-H90 PolarHBondContact O-N 3.07Å; E88-H90 VanDerWaalsContact C-N 3.35Å; E88-H90 PolarHBondContact O-N 2.98Å; H90-Y92 VanDerWaalsContact C-N 3.33Å; H90-Y92 PolarHBondContact O-N 2.99Å; H90-R93 PolarHBondContact O-N 3.34Å; H90-Q94 WeakPolarHBondContact O-CB 3.31Å; H90-Q94 PolarHBondContact O-N 3.28Å
91L91.4Very high81.1Confident88 Ų88119.2 Ų119.246%0.46161%0.612SS.*Hα-helixtrans-66.8-36.4179.1-174.561.2000111.8V87 E88 Q94 Q95V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 PolarHBondContact O-N 3.16Å; E88-L91 PolarHBondContact O-N 2.98Å; L91-Q94 PolarHBondContact O-N 3.01Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 3.15Å; L91-Q95 VanDerWaalsContact O-N 3.08Å; L91-Q95 PolarHBondContact O-NE2 2.76Å
92Y84.7Confident78.8Confident147 Ų147114.7 Ų114.758%0.57660%0.601SS**Hα-helixtrans-67.5-38.6174.9-173-113.8000112.1E88 H89 H90 Q96E88-Y92 VanDerWaalsContact O-CB 3.29Å; E88-Y92 WeakPolarHBondContact O-CB 3.28Å; E88-Y92 PolarHBondContact O-N 2.7Å; H89-Y92 PolarHBondContact O-N 3.34Å; H90-Y92 VanDerWaalsContact C-N 3.33Å; H90-Y92 PolarHBondContact O-N 2.99Å; Y92-Q96 PolarHBondContact O-N 3Å; Y92-Q96 PolarHBondContact O-NE2 3.44Å
93R85.1Confident76.8Confident142 Ų142115 Ų11554%0.53662%0.616SS.*Hα-helixtrans-66.2-39.9172-74.1-100.1-74.4-137.3-0.3112.2H89 H90 Q96H89-R93 WeakPolarHBondContact O-CB 3.12Å; H89-R93 VanDerWaalsContact O-CG 3.22Å; H89-R93 WeakPolarHBondContact O-CG 3.37Å; H89-R93 PolarHBondContact O-N 3.08Å; H90-R93 PolarHBondContact O-N 3.34Å; R93-Q96 PolarHBondContact O-N 3.07Å
94Q81.5Confident74.5Confident133 Ų133116.1 Ų116.162%0.62163%0.629SS**Hα-helixtrans-66.1-36.8179-170.3178.239.900112.2H90 L91H90-Q94 WeakPolarHBondContact O-CB 3.31Å; H90-Q94 PolarHBondContact O-N 3.28Å; L91-Q94 PolarHBondContact O-N 3.01Å
95Q77.3Confident72Confident144 Ų144118.4 Ų118.467%0.67364%0.64SS**Hα-helixtrans-73.6-23178.2-78.816996.600114.2L91 G97L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 3.15Å; L91-Q95 VanDerWaalsContact O-N 3.08Å; L91-Q95 PolarHBondContact O-NE2 2.76Å; Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 3.3Å
96Q70.2Confident69.9Low122 Ų122117.3 Ų117.357%0.5765%0.65SS**THydrogen-bonded Turntrans-81.81.3-178.6-86.2168.988.200114.8Y92 R93Y92-Q96 PolarHBondContact O-N 3Å; Y92-Q96 PolarHBondContact O-NE2 3.44Å; R93-Q96 PolarHBondContact O-N 3.07Å
97G54.8Low67.9Low48 Ų48116.4 Ų116.450%0.49565%0.652SS.*  trans76136.2-179.500000111.7Q95 G99Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 3.3Å; G97-G99 PolarHBondContact O-N 3.35Å; G97-G99 VanDerWaalsContact O-N 3.09Å
98A56Low65.6Low119 Ų119119.2 Ų119.298%0.98366%0.663SS**SBendtrans-52114.417400000110.6
99G53.8Low63.5Low75 Ų75118.6 Ų118.677%0.77367%0.673SS**  trans-178.537.4-177.200000114.2G97G97-G99 PolarHBondContact O-N 3.35Å; G97-G99 VanDerWaalsContact O-N 3.09Å
100D49.5Very low61.5Low135 Ų135121.8 Ų121.872%0.72269%0.693SS**  trans-152.2113.5156.2-167.524.5000109.3C102D100-C102 VanDerWaalsContact C-N 3.26Å; D100-C102 PolarHBondContact O-N 2.89Å
101E52.5Low59.3Low190 Ų190127.1 Ų127.189%0.88871%0.708SS**  trans-6187.3169.6-76.8-142.79400109.8
102C46.7Very low57.4Low74 Ų74128.3 Ų128.350%0.572%0.722SS.*  trans-131.657.5156.6-153.20000109.1D100 S104D100-C102 VanDerWaalsContact C-N 3.26Å; D100-C102 PolarHBondContact O-N 2.89Å; C102-S104 PolarHBondContact O-N 3.49Å
103S51.1Low55.7Low116 Ų116126.3 Ų126.381%0.81173%0.729SS**  trans-60.5101.1136.1-122.20000104.8E105S103-E105 PolarHBondContact O-N 3.35Å
104S48.6Very low54.1Low93 Ų93125.5 Ų125.565%0.6574%0.742SS**  trans-63.892.8167.3-55.30000107.1C102 S106C102-S104 PolarHBondContact O-N 3.49Å; S104-S106 PolarHBondContact O-N 3.41Å; S104-S106 VanDerWaalsContact O-N 3.16Å
105E42.8Very low52.3Low160 Ų160125.8 Ų125.875%0.74875%0.748SS**  trans19.590.5133.442.9-178.8101.400113.3S103 C107S103-E105 PolarHBondContact O-N 3.35Å; E105-C107 PolarHBondContact O-N 2.81Å
106S50Low50.8Low116 Ų116123.2 Ų123.281%0.81175%0.746SS**  trans-56.493153167.30000107.7S104 L108S104-S106 PolarHBondContact O-N 3.41Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S106-L108 PolarHBondContact O-N 2.82Å
107C53.9Low49.4Very low96 Ų96124 Ų12465%0.64976%0.759SS**  trans-57.3126.2170.9-67.10000109.6E105E105-C107 PolarHBondContact O-N 2.81Å
108L46.2Very low49Very low160 Ų160126.8 Ų126.884%0.83877%0.768SS**  trans9581.8165-45.5-172.8000116.3S106 D110S106-L108 PolarHBondContact O-N 2.82Å; L108-D110 PolarHBondContact O-N 3.17Å
109S51.3Low48.6Very low125 Ų125128 Ų12887%0.87476%0.764SS**  trans-53.1117.1141.3-58.90000110.7
110D50.3Low48Very low153 Ų153127.1 Ų127.182%0.81875%0.754SS**  trans-151.989.8142.8-168.162.7000109.7L108L108-D110 PolarHBondContact O-N 3.17Å
111R48Very low48.1Very low233 Ų233129.5 Ų129.588%0.87976%0.761SS**  trans-162.3130.6144.9-124.1178.4172.6-136.7-2.7109.8S113R111-S113 PolarHBondContact O-N 3.26Å
112P51.5Low47.9Very low114 Ų114128.4 Ų128.474%0.7476%0.756SS**  trans-67.4132.2179.928.1-33.2000110
113S48.9Very low48.1Very low105 Ų105131.8 Ų131.873%0.73477%0.768SS**  trans-61.6129.9167.3-175.60000110.4R111R111-S113 PolarHBondContact O-N 3.26Å
114P51.9Low48.1Very low124 Ų124131.5 Ų131.581%0.80576%0.764SS**  trans-90.5106.2155.231.8-24.4000108.5
115D43Very low48.4Very low139 Ų139133.9 Ų133.974%0.74377%0.765SS**  trans-74.6145.7166.3-155-25000110.1
116S45.4Very low48.8Very low91 Ų91132.9 Ų132.964%0.63676%0.764SS**  trans91.791151-53.20000121.9
117V42.1Very low49.4Very low137 Ų137131.8 Ų131.883%0.8375%0.749SS**  63.9148.3116174.40000119.3
118P45.6Very low49.8Very low107 Ų107135 Ų13570%0.69576%0.755SS**  cis-132.1170.116.3241.5000117.9
119T47.1Very low50.8Low145 Ų145130.8 Ų130.889%0.8974%0.743SS**  trans-6.7121.2144.4-49.20000116.4
120G41.7Very low51.9Low56 Ų56128.3 Ų128.358%0.57772%0.723SS**  trans177118.7166.200000110.7
121E52.2Low53.3Low185 Ų185123.5 Ų123.586%0.86470%0.704SS**  trans-39.6124.7172.943.5-94.6104.100116.3
122E48.2Very low54.9Low167 Ų167118.4 Ų118.478%0.7869%0.69SS**  trans-163.6106142-146-162129.800111.3
123L49.8Very low56.6Low145 Ų145115.8 Ų115.876%0.75968%0.678SS**  trans-57.7139.9158.9-172.884.4000108.2H125L123-H125 PolarHBondContact O-N 3.45Å
124P51.1Low58.4Low111 Ų111117.2 Ų117.272%0.72167%0.671SS**  trans-56.5119.2173-17.228.9000108.8D126P124-D126 PolarHBondContact O-N 3.35Å
125H55Low60.2Low143 Ų143116.1 Ų116.166%0.66266%0.655SS**  trans-43.3119170.4-166.467.9000109.2L123 D127L123-H125 PolarHBondContact O-N 3.45Å; H125-D127 IonicContact CD2-OD1 3.59Å; H125-D127 PolarHBondContact O-N 2.93Å
126D52Low62.4Low138 Ų138116.5 Ų116.574%0.73865%0.65SS**  trans-61.390.1167.6-102.6-57.1000106.9P124 E128P124-D126 PolarHBondContact O-N 3.35Å; D126-E128 PolarHBondContact O-N 2.8Å
127D63.3Low64.7Low94 Ų94117 Ų11750%0.50365%0.645SS.*  trans-61.7104.7168.6-71.9-50.7000106.4H125 A129 T130H125-D127 IonicContact CD2-OD1 3.59Å; H125-D127 PolarHBondContact O-N 2.93Å; D127-A129 PolarHBondContact O-N 3.47Å; D127-T130 WeakPolarHBondContact O-CB 3.4Å; D127-T130 PolarHBondContact O-N 3.19Å
128E62.1Low66.9Low164 Ų164116.7 Ų116.777%0.76663%0.629SS**Hα-helixtrans-51.1-27.9-179.8-172.3161.1169.200112.1D126 T130 A131 E132D126-E128 PolarHBondContact O-N 2.8Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 3.11Å; E128-A131 PolarHBondContact O-N 3.18Å; E128-E132 WeakPolarHBondContact O-CB 3.17Å; E128-E132 PolarHBondContact O-N 2.73Å
129A66.8Low68.9Low70 Ų70114.9 Ų114.958%0.57962%0.619SS**Hα-helixtrans-60.4-32.4172.400000114.1D127 A133D127-A129 PolarHBondContact O-N 3.47Å; A129-A133 VanDerWaalsContact O-CB 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 3.41Å; A129-A133 VanDerWaalsContact O-N 3.07Å
130T73.3Confident71Confident74 Ų74113.9 Ų113.945%0.45460%0.604SS.*Hα-helixtrans-77.7-43.9178-56.60000110.5D127 E128 E132 A133 F134D127-T130 WeakPolarHBondContact O-CB 3.4Å; D127-T130 PolarHBondContact O-N 3.19Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 3.11Å; T130-E132 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 2.83Å; T130-A133 PolarHBondContact O-N 3.03Å; T130-F134 HydrophobicContact CG2-CD2 3.87Å; T130-F134 HydrophobicContact CG2-CE2 3.55Å; T130-F134 WeakPolarHBondContact O-CD2 3.26Å; T130-F134 PolarHBondContact O-N 2.99Å; T130-F134 VanDerWaalsContact O-N 3.07Å
131A79.8Confident73.2Confident51 Ų51117.9 Ų117.942%0.42161%0.609SS.*Hα-helixtrans-60.7-44.3174.600000111.4E128 A133 F134 E135E128-A131 PolarHBondContact O-N 3.18Å; A131-A133 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.01Å; A131-F134 PolarHBondContact O-N 2.71Å; A131-E135 WeakPolarHBondContact O-CB 3.36Å; A131-E135 PolarHBondContact O-N 3.45Å
132E81.3Confident74.6Confident126 Ų126113.5 Ų113.559%0.58959%0.589SS**Hα-helixtrans-62.2-39.9174.9-167.7-167.7169.800111.6E128 T130 F134 E135 K136E128-E132 WeakPolarHBondContact O-CB 3.17Å; E128-E132 PolarHBondContact O-N 2.73Å; T130-E132 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 2.83Å; E132-F134 PolarHBondContact O-N 3.12Å; E132-E135 PolarHBondContact O-N 3.36Å; E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 3.32Å
133A88.6Confident76.1Confident59 Ų59111.5 Ų111.549%0.48858%0.579SS.*Hα-helixtrans-63.4-40.7177.400000112.5A129 T130 A131 L137A129-A133 VanDerWaalsContact O-CB 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 3.41Å; A129-A133 VanDerWaalsContact O-N 3.07Å; T130-A133 PolarHBondContact O-N 3.03Å; A131-A133 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.01Å; A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.01Å
134F86.4Confident77.4Confident135 Ų135112 Ų11259%0.59258%0.576SS**Hα-helixtrans-70.3-39175.9-77.2-68.5000112.4T130 A131 E132 L137 R138T130-F134 HydrophobicContact CG2-CD2 3.87Å; T130-F134 HydrophobicContact CG2-CE2 3.55Å; T130-F134 WeakPolarHBondContact O-CD2 3.26Å; T130-F134 PolarHBondContact O-N 2.99Å; T130-F134 VanDerWaalsContact O-N 3.07Å; A131-F134 PolarHBondContact O-N 2.71Å; E132-F134 PolarHBondContact O-N 3.12Å; F134-L137 PolarHBondContact O-N 2.9Å; F134-R138 PolarHBondContact O-N 3.25Å
135E88.6Confident78.8Confident102 Ų102110.4 Ų110.448%0.47757%0.567SS.*Hα-helixtrans-63.9-42.5174.2-174.5130.8-122.500111.6A131 E132 L137 R138 C139A131-E135 WeakPolarHBondContact O-CB 3.36Å; A131-E135 PolarHBondContact O-N 3.45Å; E132-E135 PolarHBondContact O-N 3.36Å; E135-L137 PolarHBondContact O-N 3.46Å; E135-R138 VanDerWaalsContact O-CB 3.31Å; E135-R138 WeakPolarHBondContact O-CB 3.48Å; E135-R138 PolarHBondContact O-N 3.38Å; E135-R138 VanDerWaalsContact O-N 3.16Å; E135-R138 IonicContact OE1-CZ 3.79Å; E135-R138 IonicContact OE1-NH1 2.7Å; E135-R138 PolarHBondContact OE1-NH1 2.97Å; E135-C139 PolarHBondContact O-N 3.4Å; E135-C139 PolarHBondContact O-SG 3.45Å; E135-C139 VanDerWaalsContact O-SG 3.37Å
136K91.1Very high79.5Confident147 Ų147110.9 Ų110.964%0.63956%0.563SS**Hα-helixtrans-64.7-39176.7-170.1167.9-176.6-179.20112.8E132 R138 C139 Q140E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 3.32Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-C139 PolarHBondContact O-N 3.36Å; K136-Q140 WeakPolarHBondContact O-CB 3.35Å; K136-Q140 PolarHBondContact O-N 2.9Å
137L93.2Very high79.7Confident100 Ų100110.6 Ų110.652%0.52456%0.557SS.*Hα-helixtrans-64.7-39.3173.4-176.564.9000111.5A133 F134 E135 Q140 M141A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.01Å; F134-L137 PolarHBondContact O-N 2.9Å; E135-L137 PolarHBondContact O-N 3.46Å; L137-Q140 PolarHBondContact O-N 3.02Å; L137-M141 PolarHBondContact O-N 3.31Å
138R87.6Confident79.8Confident131 Ų131110.1 Ų110.149%0.49456%0.561SS.*Hα-helixtrans-62-49.4175.6-166.2-164.1-47.91273.6111F134 E135 K136 Q140 M141 E142F134-R138 PolarHBondContact O-N 3.25Å; E135-R138 VanDerWaalsContact O-CB 3.31Å; E135-R138 WeakPolarHBondContact O-CB 3.48Å; E135-R138 PolarHBondContact O-N 3.38Å; E135-R138 VanDerWaalsContact O-N 3.16Å; E135-R138 IonicContact OE1-CZ 3.79Å; E135-R138 IonicContact OE1-NH1 2.7Å; E135-R138 PolarHBondContact OE1-NH1 2.97Å; K136-R138 VanDerWaalsContact C-N 3.33Å; R138-Q140 VanDerWaalsContact C-N 3.33Å; R138-Q140 PolarHBondContact O-N 2.94Å; R138-M141 PolarHBondContact O-N 3.24Å; R138-E142 PolarHBondContact O-N 3.43Å
139C88.3Confident79.5Confident70 Ų70108.6 Ų108.647%0.47356%0.558SS.*Hα-helixtrans-60.4-42.4176.5-680000111.7E135 K136 M141 E142 E143E135-C139 PolarHBondContact O-N 3.4Å; E135-C139 PolarHBondContact O-SG 3.45Å; E135-C139 VanDerWaalsContact O-SG 3.37Å; K136-C139 PolarHBondContact O-N 3.36Å; C139-M141 PolarHBondContact O-N 2.95Å; C139-E142 PolarHBondContact O-N 3.5Å; C139-E143 WeakPolarHBondContact O-CB 3.21Å; C139-E143 PolarHBondContact O-N 2.87Å
140Q91.4Very high78.8Confident124 Ų124111.3 Ų111.358%0.57956%0.562SS**Hα-helixtrans-63-40.5178179.6172.781.200112.6K136 L137 R138 E142 E143 F144K136-Q140 WeakPolarHBondContact O-CB 3.35Å; K136-Q140 PolarHBondContact O-N 2.9Å; L137-Q140 PolarHBondContact O-N 3.02Å; R138-Q140 VanDerWaalsContact C-N 3.33Å; R138-Q140 PolarHBondContact O-N 2.94Å; Q140-E142 VanDerWaalsContact C-N 3.34Å; Q140-E143 PolarHBondContact O-N 3.46Å; Q140-F144 WeakPolarHBondContact O-CB 3.48Å; Q140-F144 PolarHBondContact O-N 3.42Å
141M86.6Confident77.7Confident140 Ų140115.2 Ų115.269%0.6958%0.58SS**Hα-helixtrans-68.8-35.9177.9-168.8172.767.300111.7L137 R138 C139 S145L137-M141 PolarHBondContact O-N 3.31Å; R138-M141 PolarHBondContact O-N 3.24Å; C139-M141 PolarHBondContact O-N 2.95Å; M141-S145 WeakPolarHBondContact O-CB 3.29Å; M141-S145 PolarHBondContact O-N 2.94Å; M141-S145 VanDerWaalsContact O-N 3.14Å
142E82.5Confident76.1Confident93 Ų93116.4 Ų116.444%0.43559%0.59SS.*Hα-helixtrans-71-39.4175.2-174.7166-168.100112.2R138 C139 Q140 S145 R146R138-E142 PolarHBondContact O-N 3.43Å; C139-E142 PolarHBondContact O-N 3.5Å; Q140-E142 VanDerWaalsContact C-N 3.34Å; E142-S145 WeakPolarHBondContact O-CB 3.38Å; E142-S145 PolarHBondContact O-N 3.48Å; E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.22Å; E142-R146 PolarHBondContact O-N 2.89Å; E142-R146 IonicContact OE1-CZ 3.42Å; E142-R146 IonicContact OE1-NE 3.23Å; E142-R146 PolarHBondContact OE1-NE 3.48Å; E142-R146 IonicContact OE1-NH2 2.74Å; E142-R146 PolarHBondContact OE1-NH2 3.44Å
143E80.1Confident74.2Confident124 Ų124114.1 Ų114.158%0.57960%0.6SS**Hα-helixtrans-63.2-45.9175.1-170.7175.8-159.900111.1C139 Q140 S145 R146 E147C139-E143 WeakPolarHBondContact O-CB 3.21Å; C139-E143 PolarHBondContact O-N 2.87Å; Q140-E143 PolarHBondContact O-N 3.46Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 3.4Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-R146 VanDerWaalsContact O-N 3.15Å; E143-E147 WeakPolarHBondContact O-CB 3.42Å; E143-E147 PolarHBondContact O-N 2.98Å
144F77.3Confident71.6Confident156 Ų156114.8 Ų114.868%0.68461%0.612SS**Hα-helixtrans-61-35.3174.7-173.9-98.2000112.6Q140 S148Q140-F144 WeakPolarHBondContact O-CB 3.48Å; Q140-F144 PolarHBondContact O-N 3.42Å; F144-S148 PolarHBondContact O-N 3.42Å; F144-S148 PolarHBondContact O-OG 3.29Å; F144-S148 VanDerWaalsContact O-OG 3.08Å
145S78.9Confident69.6Low78 Ų78117.4 Ų117.455%0.54563%0.626SS.*Hα-helixtrans-72.1-34.5176.8-169.90000112.7M141 E142 E143M141-S145 WeakPolarHBondContact O-CB 3.29Å; M141-S145 PolarHBondContact O-N 2.94Å; M141-S145 VanDerWaalsContact O-N 3.14Å; E142-S145 WeakPolarHBondContact O-CB 3.38Å; E142-S145 PolarHBondContact O-N 3.48Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 3.4Å
146R70Confident67.3Low153 Ų153120.3 Ų120.358%0.57765%0.645SS**Hα-helixtrans-76.3-41.8177.6-71.2170.7179.2-105.93.3111.3E142 E143 S148 L149 L150E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.22Å; E142-R146 PolarHBondContact O-N 2.89Å; E142-R146 IonicContact OE1-CZ 3.42Å; E142-R146 IonicContact OE1-NE 3.23Å; E142-R146 PolarHBondContact OE1-NE 3.48Å; E142-R146 IonicContact OE1-NH2 2.74Å; E142-R146 PolarHBondContact OE1-NH2 3.44Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-R146 VanDerWaalsContact O-N 3.15Å; R146-S148 VanDerWaalsContact C-N 3.28Å; R146-S148 PolarHBondContact O-N 3.25Å; R146-L149 PolarHBondContact O-N 2.91Å; R146-L150 WeakPolarHBondContact O-CD1 3.45Å; R146-L150 PolarHBondContact O-N 3.16Å
147E57Low65.1Low132 Ų132121.5 Ų121.562%0.61765%0.652SS**Hα-helixtrans-59.4-38.8174.9-164.493.4-144.800111.3E143 L149 L150 D151E143-E147 WeakPolarHBondContact O-CB 3.42Å; E143-E147 PolarHBondContact O-N 2.98Å; E147-L149 PolarHBondContact O-N 3.08Å; E147-L149 VanDerWaalsContact O-N 3.15Å; E147-L150 PolarHBondContact O-N 3.39Å; E147-D151 PolarHBondContact O-N 3.22Å
148S65.2Low62.3Low83 Ų83122 Ų12258%0.5866%0.663SS**Hα-helixtrans-62.1-19.1174.4-72.40000114.5F144 R146F144-S148 PolarHBondContact O-N 3.42Å; F144-S148 PolarHBondContact O-OG 3.29Å; F144-S148 VanDerWaalsContact O-OG 3.08Å; R146-S148 VanDerWaalsContact C-N 3.28Å; R146-S148 PolarHBondContact O-N 3.25Å
149L55.4Low60.2Low133 Ų133121.3 Ų121.370%0.69668%0.675SS**Hα-helixtrans-99.8-29.4179.3-151.8156.6000111.5R146 E147 D151 A152R146-L149 PolarHBondContact O-N 2.91Å; E147-L149 PolarHBondContact O-N 3.08Å; E147-L149 VanDerWaalsContact O-N 3.15Å; L149-D151 VanDerWaalsContact C-N 3.28Å; L149-D151 PolarHBondContact O-N 2.86Å; L149-A152 PolarHBondContact O-N 3.09Å
150L52.3Low57.8Low126 Ų126125 Ų12566%0.6669%0.69SS**Hα-helixtrans-74.6-10.6179.7-74.6154.7000114.3R146 E147 A152R146-L150 WeakPolarHBondContact O-CD1 3.45Å; R146-L150 PolarHBondContact O-N 3.16Å; E147-L150 PolarHBondContact O-N 3.39Å; L150-A152 PolarHBondContact O-N 2.78Å
151D50.5Low55.2Low156 Ų156124.6 Ų124.683%0.83470%0.701SS**THydrogen-bonded Turntrans-68.3-11.3167.2-17154.5000113E147 L149E147-D151 PolarHBondContact O-N 3.22Å; L149-D151 VanDerWaalsContact C-N 3.28Å; L149-D151 PolarHBondContact O-N 2.86Å
152A44.9Very low53.4Low77 Ų77125.5 Ų125.564%0.63670%0.703SS**SBendtrans-125.495.7168.900000109.7L149 L150L149-A152 PolarHBondContact O-N 3.09Å; L150-A152 PolarHBondContact O-N 2.78Å
153G41.3Very low51.2Low77 Ų77130.6 Ų130.679%0.79473%0.727SS**  trans-49147.5-16900000117.2
154G35.7Very low49.5Very low73 Ų73131.9 Ų131.975%0.75373%0.73SS**  trans163.297.6170.100000113.5L156G154-L156 PolarHBondContact O-N 3.4Å
155E43.3Very low47.7Very low190 Ų190130.5 Ų130.589%0.88873%0.73SS**  trans-31123.7153.7-179.3-174.3142.900113.3
156L41Very low45.6Very low164 Ų164133.5 Ų133.586%0.85974%0.74SS**  trans-166.8116.9145.5-104.8149.3000111.7G154G154-L156 PolarHBondContact O-N 3.4Å
157E44.1Very low43.9Very low172 Ų172131.8 Ų131.880%0.80475%0.75SS**  trans-49.8140.3170.7-117.7-110.2155.600113.5
158C35.6Very low43.2Very low111 Ų111130.8 Ų130.875%0.7576%0.758SS**  trans-106.4140.2167.4-59.80000109.5
159P43.4Very low42.1Very low115 Ų115132 Ų13275%0.74777%0.766SS**  trans-112.2110.4148.231.8-20.3000110.8
160L37.3Very low41.4Very low149 Ų149131.5 Ų131.578%0.7877%0.768SS**  11.9124.7125.2-154.7144.2000117.4
161S37.6Very low40.8Very low115 Ų115130.1 Ų130.180%0.80478%0.776SS**  trans-156.6110.7139.659.90000110.7
162E47.3Very low40.2Very low159 Ų159128.2 Ų128.274%0.74377%0.77SS**  trans-58.6136.9162.2-54.3176118.200109.9
163E37.6Very low39.9Very low199 Ų199131.2 Ų131.293%0.9378%0.78SS**  trans-141.8125.2146.1-159.1-178.1115.300109.5
164K44.7Very low39.7Very low151 Ų151131.9 Ų131.966%0.65778%0.778SS**  trans-88.6160.2-175.8-71170.8162.4156.40110.4
165N38.5Very low39.9Very low128 Ų128135.1 Ų135.168%0.68478%0.778SS**  trans96.2118.9138-66.9-23.2000120.5
166D34.9Very low40.3Very low141 Ų141131.6 Ų131.675%0.75477%0.772SS**  94.5102.6126.6-67.3-37.8000120.9
167C35.1Very low39.9Very low117 Ų117128.5 Ų128.579%0.79176%0.764SS**  81114112.7-148.40000119.9
168S41.1Very low39.6Very low110 Ų110125.4 Ų125.477%0.76976%0.761SS**  trans62.5117.9138.1-166.30000119.2
169S41.5Very low39.9Very low109 Ų109129.8 Ų129.876%0.76277%0.77SS**  -165.1126.8118.2-177.50000110.9
170V41.8Very low39.7Very low122 Ų122134.1 Ų134.174%0.73978%0.778SS**  trans-55.2140.5162.270.20000110.9
171A39.5Very low39.7Very low98 Ų98134.8 Ų134.881%0.8178%0.776SS**  trans-161.4116.1150.100000110.3
172T38.7Very low39.5Very low116 Ų116136 Ų13671%0.71277%0.774SS**  trans-59.5162.8173.547.40000116.1
173V38Very low39Very low139 Ų139132.5 Ų132.584%0.84277%0.772SS**  trans63.1118153.9-126.40000119.1
174A38.1Very low39Very low91 Ų91130 Ų13075%0.75276%0.764SS**  171.7120.7106.900000111.2
175D39.8Very low38.6Very low141 Ų141128.1 Ų128.175%0.75477%0.766SS**  trans-68.9150159.8173.549.3000110.6S177D175-S177 PolarHBondContact OD1-N 2.94Å; D175-S177 PolarHBondContact OD2-N 3.39Å; D175-S177 VanDerWaalsContact OD2-N 3.11Å
176P50Low38.4Very low117 Ų117128.5 Ų128.576%0.7677%0.768SS**  trans-130.1102.2138.633-20000112.9
177S34.2Very low38.8Very low99 Ų99127.7 Ų127.769%0.69277%0.768SS**  16.7131.6123.8-167.40000119.4D175D175-S177 PolarHBondContact OD1-N 2.94Å; D175-S177 PolarHBondContact OD2-N 3.39Å; D175-S177 VanDerWaalsContact OD2-N 3.11Å
178S38.2Very low38.9Very low107 Ų107132 Ų13275%0.74877%0.774SS**  trans-62.5145.7174.1-53.20000115.3
179Q40.9Very low38.9Very low203 Ų203131.7 Ų131.795%0.94978%0.778SS**  trans-104.2112.5153.7-78.3-174.1-64.300110.1
180K39.1Very low38.6Very low206 Ų206130.3 Ų130.390%0.89678%0.78SS**  trans-84.8132.8162.3-79.1177.6172.2176.30108.4
181E37.7Very low38.5Very low162 Ų162129.2 Ų129.276%0.75778%0.784SS**  trans-95.5159.1163.564.8167.8-146.300111.4
182N33.8Very low38.6Very low141 Ų141130.3 Ų130.375%0.75479%0.786SS**  trans9995.3159.6-54.2-24.2000117.2
183A35.6Very low38.8Very low85 Ų85130.2 Ų130.270%0.70279%0.79SS**  trans-100.7139.6167.100000110.5
184L38.1Very low38.9Very low147 Ų147128.5 Ų128.577%0.7779%0.79SS**  trans63.1109.7140.3-77.8116.5000119.8
185T36.9Very low38.9Very low112 Ų112131.3 Ų131.369%0.68779%0.792SS**  87.7136.985.560.60000115.8
186D34.2Very low39.3Very low135 Ų135133.7 Ų133.772%0.72280%0.799SS**  trans92.2107.7148.1-81.1-52.7000122.4
187T43.3Very low39.3Very low124 Ų124133.3 Ų133.376%0.76180%0.796SS**  29.7124.6127.854.50000119.8
188K37.4Very low39.6Very low209 Ų209134.6 Ų134.691%0.90981%0.805SS**  -179.8145117-166.9158.9-178.4174.50112.9
189A40.3Very low39.6Very low103 Ų103132.8 Ų132.885%0.85180%0.804SS**  trans-60.8152.5-177.100000116.4
190G34.4Very low39.9Very low79 Ų79132.8 Ų132.881%0.81480%0.801SS**  trans-161.5118.2165.500000111.1
191A39.4Very low40Very low99 Ų99133.4 Ų133.482%0.81880%0.803SS**  trans-70.5152.7-173.600000114.4
192S41.8Very low40.5Very low121 Ų121130.7 Ų130.785%0.84680%0.798SS**  173.6116.8121.842.90000110.9
193S44.3Very low40.8Very low115 Ų115130.9 Ų130.980%0.80480%0.799SS**  trans-91.7122.2169.1178.10000108
194A38.4Very low41.5Very low102 Ų102135.8 Ų135.884%0.84381%0.805SS**  trans-119.4105171.500000109
195N38Very low41.9Very low150 Ų150134.7 Ų134.780%0.80280%0.804SS**  trans-71.7142.3165.3-84.4-42000110.5
196Q49.4Very low42.4Very low192 Ų192134.8 Ų134.890%0.89781%0.809SS**  trans-169.7158.6134.7-95.6-119.1-1.100112.6
197P50.3Low43.4Very low108 Ų108135.8 Ų135.870%0.70181%0.814SS**  trans-115.9164.4-144.940.3-28.9000114.3
198S39.5Very low43.7Very low126 Ų126139.2 Ų139.288%0.88182%0.821SS**  trans-117.3122.7161.963.40000110.5
199G38.1Very low44.4Very low70 Ų70135.4 Ų135.472%0.72282%0.815SS**  trans-87.8158.1-165.900000117.4
200K46.6Very low45Very low203 Ų203140.4 Ų140.488%0.88382%0.818SS**  trans37.6119131.5-65.7177.8177.8176.80118.9
201K42.7Very low45.9Very low218 Ų218149.4 Ų149.495%0.94884%0.835SS**  -140.1129.9125.7-103.6175.9-175.9175.20110.3
202T47.8Very low46.3Very low106 Ų106152 Ų15265%0.6584%0.836SS**  trans-95.9174.7-177.5520000111.1
203N40.3Very low46.5Very low145 Ų145153.6 Ų153.678%0.77584%0.835SS**  trans99.9134.8157.8-52.6-21.5000113.8
204K50.3Low46.6Very low187 Ų187155.7 Ų155.781%0.81384%0.837SS**  cis-164.5140.74-142.5-178.7177.1-174.90106.9
205V45.4Very low47.1Very low124 Ų124158.9 Ų158.975%0.75284%0.836SS**  trans-70.6135.1160.41630000108.5
206S49Very low47.7Very low114 Ų114159.4 Ų159.480%0.79784%0.839SS**  trans-136.6115.6155-92.30000108.8
207L54.6Low47.5Very low156 Ų156157.3 Ų157.382%0.81784%0.835SS**  trans-69.4140.4161.4-65155.9000108.3
208E49.4Very low47.4Very low196 Ų196160.8 Ų160.892%0.91684%0.844SS**  trans-158.4134.9143.1-117.6-179.511900112.3
209T53.3Low48Very low129 Ų129163.5 Ų163.579%0.79184%0.841SS**  trans-87.3150.4179.8270000111.8
210K52.9Low48.8Very low208 Ų208171.3 Ų171.390%0.90485%0.851SS**  trans151.3143.6150.3-94.1170.7172175.90108.5
211K53Low49Very low269 Ų269168.4 Ų168.4100%1.1785%0.848SS**  cis-160.701.3173.5179.7178.2-177.50105.5

Retrieved 211 of 211 residues in 959.3 ms (Link to these results)