A0A087XN30_POEFO Loading...

Kinetochore protein Spc24

Acts as a component of the essential kinetochore-associated NDC80 complex, which is required for chromosome segregation and spindle checkpoint activity. Required for kinetochore integrity and the organization of stable microtubule binding sites in the outer plate of the kinetochore. The NDC80 complex synergistically enhances the affinity of the SKA1 complex for microtubules and may allow the NDC80 complex to track depolymerizing microtubules.

AlphaFold DB , UniProt , Accession A0A087XN30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 203 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
1H47.8Very low58.7Low230 Ų230128.2 Ų128.2100%1.06565%0.653SS**  0-0.10-88.7-62.2000115.1
2T45.9Very low60Low127 Ų127126.1 Ų126.178%0.77965%0.651SS**  trans-94.9-18.6-175.840.50000115.7
3M47.6Very low61.4Low170 Ų170126.1 Ų126.184%0.83765%0.646SS**Hα-helixtrans-85.5-11.1-177.3-65.2-169.694.100115.4
4S55Low62.5Low79 Ų79125.5 Ų125.555%0.55264%0.639SS**Hα-helixtrans-84.7-22.4-179.6171.30000113.9
5L54.9Low63.4Low114 Ų114123.9 Ų123.960%0.59763%0.633SS**Hα-helixtrans-78.9-31.6176.4-93.797000112.6K8 F9L5-K8 PolarHBondContact O-N 3.07Å; L5-F9 PolarHBondContact O-N 3.32Å; L5-F9 VanDerWaalsContact O-N 3.1Å
6S58.9Low64Low77 Ų77117.9 Ų117.954%0.53861%0.612SS.*Hα-helixtrans-64.4-41.5-178-163.50000112.3F9 Q10S6-F9 PolarHBondContact O-N 3.28Å; S6-Q10 PolarHBondContact O-N 3.1Å; S6-Q10 VanDerWaalsContact O-N 3.07Å
7H61Low65Low124 Ų124118.9 Ų118.957%0.57461%0.613SS**Hα-helixtrans-67.5-38.4178.7-161.7-68.3000112.2F9 Q10 D11H7-F9 VanDerWaalsContact C-N 3.32Å; H7-F9 PolarHBondContact O-N 3.27Å; H7-Q10 PolarHBondContact O-N 2.89Å; H7-D11 IonicContact CE1-OD1 2.64Å; H7-D11 IonicContact CE1-OD2 3.46Å; H7-D11 PolarHBondContact CE1-OD2 3.34Å; H7-D11 IonicContact ND1-OD1 3.68Å; H7-D11 IonicContact ND1-OD2 2.93Å; H7-D11 PolarHBondContact ND1-OD2 2.94Å; H7-D11 PolarHBondContact O-N 3.39Å
8K63.2Low65.6Low144 Ų144119.2 Ų119.263%0.62661%0.613SS**Hα-helixtrans-66.6-33175.4-72-170.3175.5-172.60112.8L5 V12L5-K8 PolarHBondContact O-N 3.07Å; K8-V12 WeakPolarHBondContact O-CB 3.12Å; K8-V12 WeakPolarHBondContact O-CG2 3.47Å; K8-V12 PolarHBondContact O-N 3.38Å
9F64.5Low66Low152 Ų152118.6 Ų118.667%0.66761%0.61SS**Hα-helixtrans-70.3-38174.4-106.1-88.6000111.6L5 S6 H7 V12 E13L5-F9 PolarHBondContact O-N 3.32Å; L5-F9 VanDerWaalsContact O-N 3.1Å; S6-F9 PolarHBondContact O-N 3.28Å; H7-F9 VanDerWaalsContact C-N 3.32Å; H7-F9 PolarHBondContact O-N 3.27Å; F9-V12 PolarHBondContact O-N 3.29Å; F9-E13 WeakPolarHBondContact O-CB 3.32Å; F9-E13 PolarHBondContact O-N 2.96Å
10Q73.8Confident66.6Low122 Ų122116.7 Ų116.757%0.5760%0.604SS**Hα-helixtrans-71.7-39.4179.7-161.71513.200112.7S6 H7 V12 E13 E14S6-Q10 PolarHBondContact O-N 3.1Å; S6-Q10 VanDerWaalsContact O-N 3.07Å; H7-Q10 PolarHBondContact O-N 2.89Å; Q10-V12 VanDerWaalsContact C-N 3.27Å; Q10-V12 PolarHBondContact O-N 3.28Å; Q10-E13 PolarHBondContact O-N 2.93Å; Q10-E14 WeakPolarHBondContact O-CB 3.41Å; Q10-E14 PolarHBondContact O-N 3.39Å
11D73.4Confident67Low71 Ų71113.8 Ų113.838%0.3860%0.597SS.*Hα-helixtrans-63.2-33.6171.9-68.8-34.5000112H7 N15H7-D11 IonicContact CE1-OD1 2.64Å; H7-D11 IonicContact CE1-OD2 3.46Å; H7-D11 PolarHBondContact CE1-OD2 3.34Å; H7-D11 IonicContact ND1-OD1 3.68Å; H7-D11 IonicContact ND1-OD2 2.93Å; H7-D11 PolarHBondContact ND1-OD2 2.94Å; H7-D11 PolarHBondContact O-N 3.39Å; D11-N15 VanDerWaalsContact O-CB 3.24Å; D11-N15 WeakPolarHBondContact O-CB 3.48Å; D11-N15 PolarHBondContact O-N 2.82Å
12V74.5Confident68.1Low103 Ų103109.5 Ų109.562%0.62458%0.576SS**Hα-helixtrans-74.3-36.2177.1169.20000111.3K8 F9 Q10 G16K8-V12 WeakPolarHBondContact O-CB 3.12Å; K8-V12 WeakPolarHBondContact O-CG2 3.47Å; K8-V12 PolarHBondContact O-N 3.38Å; F9-V12 PolarHBondContact O-N 3.29Å; Q10-V12 VanDerWaalsContact C-N 3.27Å; Q10-V12 PolarHBondContact O-N 3.28Å; V12-G16 PolarHBondContact O-N 3.46Å
13E77.8Confident69.3Low126 Ų126108 Ų10859%0.58956%0.562SS**Hα-helixtrans-69-44.8175.6-168.5166.4-147.500111.2F9 Q10 G16 E17F9-E13 WeakPolarHBondContact O-CB 3.32Å; F9-E13 PolarHBondContact O-N 2.96Å; Q10-E13 PolarHBondContact O-N 2.93Å; E13-G16 CarbonylContact O-C 3.44Å; E13-G16 WeakPolarHBondContact O-CA 3.47Å; E13-G16 PolarHBondContact O-N 2.96Å; E13-G16 VanDerWaalsContact O-N 3.08Å; E13-E17 PolarHBondContact O-N 2.99Å
14E76.9Confident70.4Confident118 Ų118105.8 Ų105.855%0.55155%0.553SS**Hα-helixtrans-66.4-41.5176.4-170170.3-169.900112Q10 G16 E17 M18Q10-E14 WeakPolarHBondContact O-CB 3.41Å; Q10-E14 PolarHBondContact O-N 3.39Å; E14-G16 VanDerWaalsContact C-N 3.27Å; E14-G16 PolarHBondContact O-N 3.41Å; E14-E17 PolarHBondContact O-N 2.88Å; E14-M18 WeakPolarHBondContact O-CB 3.39Å; E14-M18 PolarHBondContact O-N 2.94Å
15N75.4Confident71.1Confident101 Ų101105.9 Ų105.954%0.5455%0.554SS.*Hα-helixtrans-63.2-34.8169.9-89.49.9000112.1D11 L19D11-N15 VanDerWaalsContact O-CB 3.24Å; D11-N15 WeakPolarHBondContact O-CB 3.48Å; D11-N15 PolarHBondContact O-N 2.82Å; N15-L19 WeakPolarHBondContact O-CB 3.24Å; N15-L19 PolarHBondContact O-N 3.34Å
16G74.1Confident71.6Confident29 Ų29102.8 Ų102.830%0.29954%0.542SS..Hα-helixtrans-65.2-46.2175.500000112.2V12 E13 E14 L19 V20V12-G16 PolarHBondContact O-N 3.46Å; E13-G16 CarbonylContact O-C 3.44Å; E13-G16 WeakPolarHBondContact O-CA 3.47Å; E13-G16 PolarHBondContact O-N 2.96Å; E13-G16 VanDerWaalsContact O-N 3.08Å; E14-G16 VanDerWaalsContact C-N 3.27Å; E14-G16 PolarHBondContact O-N 3.41Å; G16-L19 PolarHBondContact O-N 3.08Å; G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.48Å; G16-V20 PolarHBondContact O-N 3Å
17E80.4Confident72.4Confident135 Ų135103.9 Ų103.963%0.63154%0.539SS*.Hα-helixtrans-64-41.5175.6-73.6-172.816900111.8E13 E14 L19 V20 A21E13-E17 PolarHBondContact O-N 2.99Å; E14-E17 PolarHBondContact O-N 2.88Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.34Å; E17-V20 PolarHBondContact O-N 2.88Å; E17-A21 WeakPolarHBondContact O-CB 3.37Å; E17-A21 PolarHBondContact O-N 3.26Å
18M75.9Confident73.1Confident124 Ų124101 Ų10161%0.61153%0.531SS*.Hα-helixtrans-63.7-39.5176.4-160.5-167.4-59.700111.7E14 F22E14-M18 WeakPolarHBondContact O-CB 3.39Å; E14-M18 PolarHBondContact O-N 2.94Å; M18-F22 WeakPolarHBondContact O-CB 3.39Å; M18-F22 PolarHBondContact O-N 3.48Å
19L73.6Confident73.9Confident107 Ų107100.6 Ų100.656%0.5653%0.531SS*.Hα-helixtrans-64.5-43.4173.6-94155.7000112.1N15 G16 E17 F22 I23N15-L19 WeakPolarHBondContact O-CB 3.24Å; N15-L19 PolarHBondContact O-N 3.34Å; G16-L19 PolarHBondContact O-N 3.08Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.34Å; L19-F22 PolarHBondContact O-N 3.34Å; L19-I23 WeakPolarHBondContact O-CB 3.22Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 3.33Å
20V76.7Confident74.5Confident81 Ų8199.1 Ų99.149%0.49153%0.525SS..Hα-helixtrans-66.7-40.9177.9171.20000111.2G16 E17 F22 I23 N24G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.48Å; G16-V20 PolarHBondContact O-N 3Å; E17-V20 PolarHBondContact O-N 2.88Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-I23 PolarHBondContact O-N 2.94Å; V20-N24 WeakPolarHBondContact CG1-ND2 3.32Å; V20-N24 VanDerWaalsContact O-CB 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.45Å; V20-N24 VanDerWaalsContact O-CG 3.25Å; V20-N24 PolarHBondContact O-N 3.46Å; V20-N24 PolarHBondContact O-ND2 2.93Å
21A75.1Confident74.8Confident56 Ų5699 Ų9946%0.46353%0.528SS..Hα-helixtrans-64-38.917400000112E17 S25E17-A21 WeakPolarHBondContact O-CB 3.37Å; E17-A21 PolarHBondContact O-N 3.26Å; A21-S25 VanDerWaalsContact O-CB 3.28Å; A21-S25 WeakPolarHBondContact O-CB 3.32Å; A21-S25 PolarHBondContact O-N 3.38Å; A21-S25 PolarHBondContact O-OG 3.15Å
22F72.3Confident75.3Confident139 Ų139104.8 Ų104.861%0.6154%0.544SS*.Hα-helixtrans-65.3-42.8174-175.4-99.2000112M18 L19 V20 S25 S26M18-F22 WeakPolarHBondContact O-CB 3.39Å; M18-F22 PolarHBondContact O-N 3.48Å; L19-F22 PolarHBondContact O-N 3.34Å; V20-F22 VanDerWaalsContact C-N 3.34Å; F22-S25 WeakPolarHBondContact CA-OG 3.39Å; F22-S25 PolarHBondContact O-N 2.92Å; F22-S25 PolarHBondContact O-OG 3.41Å; F22-S26 VanDerWaalsContact O-CB 3.31Å; F22-S26 WeakPolarHBondContact O-CB 3.35Å; F22-S26 PolarHBondContact O-N 3.5Å; F22-S26 VanDerWaalsContact O-N 3.07Å; F22-S26 PolarHBondContact O-OG 2.89Å
23I71.4Confident75.9Confident97 Ų97106.3 Ų106.350%0.49754%0.544SS..Hα-helixtrans-64.4-45176.4-69.9164.4000111.1L19 V20 S25 S26L19-I23 WeakPolarHBondContact O-CB 3.22Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 3.33Å; V20-I23 PolarHBondContact O-N 2.94Å; I23-S25 PolarHBondContact O-N 2.86Å; I23-S26 PolarHBondContact O-N 3.27Å
24N69.4Low76.4Confident122 Ų122104.5 Ų104.565%0.65254%0.541SS*.Hα-helixtrans-68.7-31.8179.4-73.3-24.5000112.9V20V20-N24 WeakPolarHBondContact CG1-ND2 3.32Å; V20-N24 VanDerWaalsContact O-CB 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.45Å; V20-N24 VanDerWaalsContact O-CG 3.25Å; V20-N24 PolarHBondContact O-N 3.46Å; V20-N24 PolarHBondContact O-ND2 2.93Å
25S69.8Low76.9Confident82 Ų82106.4 Ų106.457%0.57355%0.548SS*.Hα-helixtrans-78.4-19.2174.8580000113.6A21 F22 I23 Q27A21-S25 VanDerWaalsContact O-CB 3.28Å; A21-S25 WeakPolarHBondContact O-CB 3.32Å; A21-S25 PolarHBondContact O-N 3.38Å; A21-S25 PolarHBondContact O-OG 3.15Å; F22-S25 WeakPolarHBondContact CA-OG 3.39Å; F22-S25 PolarHBondContact O-N 2.92Å; F22-S25 PolarHBondContact O-OG 3.41Å; I23-S25 PolarHBondContact O-N 2.86Å; S25-Q27 VanDerWaalsContact C-N 3.31Å; S25-Q27 PolarHBondContact O-N 3.4Å
26S66.1Low77.7Confident48 Ų48106.2 Ų106.234%0.33655%0.55SS.*THydrogen-bonded Turntrans-79.52.8-175-67.20000115.8F22 I23 P28F22-S26 VanDerWaalsContact O-CB 3.31Å; F22-S26 WeakPolarHBondContact O-CB 3.35Å; F22-S26 PolarHBondContact O-N 3.5Å; F22-S26 VanDerWaalsContact O-N 3.07Å; F22-S26 PolarHBondContact O-OG 2.89Å; I23-S26 PolarHBondContact O-N 3.27Å; S26-P28 VanDerWaalsContact O-N 3.16Å
27Q74.6Confident78.5Confident100 Ų100111.5 Ų111.547%0.46757%0.567SS.*  trans3459.4175.8-62.3-174.36.700115.2S25 E29 K30 L31S25-Q27 VanDerWaalsContact C-N 3.31Å; S25-Q27 PolarHBondContact O-N 3.4Å; Q27-E29 PolarHBondContact O-N 3.3Å; Q27-E29 VanDerWaalsContact O-N 3.16Å; Q27-K30 HydrophobicContact CB-CB 4.5Å; Q27-K30 HydrophobicContact CB-CG 4.48Å; Q27-K30 PolarHBondContact O-N 3.07Å; Q27-K30 VanDerWaalsContact O-N 3.13Å; Q27-L31 PolarHBondContact O-N 3.44Å
28P76.8Confident79Confident63 Ų63113.5 Ų113.541%0.40957%0.569SS.*Hα-helixtrans-61.7-26.7-171.121.1-28.4000114.1S26 L31 R32S26-P28 VanDerWaalsContact O-N 3.16Å; P28-L31 WeakPolarHBondContact O-CB 3.38Å; P28-L31 PolarHBondContact O-N 3.13Å; P28-R32 WeakPolarHBondContact O-CB 3.28Å; P28-R32 PolarHBondContact O-N 3.16Å
29E78.8Confident79.7Confident136 Ų136112.2 Ų112.264%0.63656%0.561SS**Hα-helixtrans-65.1-42176.4-73.962.2-142.300111.9Q27 L31 R32 E33Q27-E29 PolarHBondContact O-N 3.3Å; Q27-E29 VanDerWaalsContact O-N 3.16Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.92Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 2.98Å; E29-R32 VanDerWaalsContact O-N 3.15Å; E29-E33 PolarHBondContact O-N 2.66Å
30K78.6Confident80.7Confident122 Ų122109.7 Ų109.753%0.5356%0.556SS.*Hα-helixtrans-66.4-38.1175-68.4-167.4-172.9167.20111.5Q27 R32 E33 V34Q27-K30 HydrophobicContact CB-CB 4.5Å; Q27-K30 HydrophobicContact CB-CG 4.48Å; Q27-K30 PolarHBondContact O-N 3.07Å; Q27-K30 VanDerWaalsContact O-N 3.13Å; K30-R32 VanDerWaalsContact C-N 3.25Å; K30-R32 PolarHBondContact O-N 2.8Å; K30-E33 PolarHBondContact O-N 3.43Å; K30-V34 WeakPolarHBondContact O-CB 3.48Å; K30-V34 VanDerWaalsContact O-CG2 3.22Å; K30-V34 WeakPolarHBondContact O-CG2 3.37Å; K30-V34 PolarHBondContact O-N 2.9Å
31L80Confident81.6Confident120 Ų120111.6 Ų111.663%0.62856%0.563SS**Hα-helixtrans-60.7-37.1172.7-109154.3000111.7Q27 P28 E29 K35Q27-L31 PolarHBondContact O-N 3.44Å; P28-L31 WeakPolarHBondContact O-CB 3.38Å; P28-L31 PolarHBondContact O-N 3.13Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.92Å; L31-K35 WeakPolarHBondContact O-CB 3.15Å; L31-K35 PolarHBondContact O-N 3.32Å
32R84.3Confident82.5Confident191 Ų191112.8 Ų112.872%0.72156%0.561SS**Hα-helixtrans-71.7-42.4177-164.1177.4172.4-170.9-3.3112.1P28 E29 K30 K35 V36P28-R32 WeakPolarHBondContact O-CB 3.28Å; P28-R32 PolarHBondContact O-N 3.16Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 2.98Å; E29-R32 VanDerWaalsContact O-N 3.15Å; K30-R32 VanDerWaalsContact C-N 3.25Å; K30-R32 PolarHBondContact O-N 2.8Å; R32-K35 WeakPolarHBondContact O-CB 3.41Å; R32-K35 PolarHBondContact O-N 3.44Å; R32-V36 WeakPolarHBondContact O-CG2 3.22Å; R32-V36 PolarHBondContact O-N 3.16Å; R32-V36 VanDerWaalsContact O-N 3.07Å
33E87Confident83.6Confident135 Ų135110 Ų11063%0.63155%0.552SS**Hα-helixtrans-59.6-50.1171.5-91179.916000111.8E29 K30 K35 V36 E37E29-E33 PolarHBondContact O-N 2.66Å; K30-E33 PolarHBondContact O-N 3.43Å; E33-K35 PolarHBondContact O-N 2.88Å; E33-V36 PolarHBondContact O-N 3Å; E33-E37 PolarHBondContact O-N 3.01Å
34V87.2Confident84.7Confident88 Ų88112.5 Ų112.553%0.53356%0.56SS.*Hα-helixtrans-58.2-36.1176.9169.80000111.4K30 R38K30-V34 WeakPolarHBondContact O-CB 3.48Å; K30-V34 VanDerWaalsContact O-CG2 3.22Å; K30-V34 WeakPolarHBondContact O-CG2 3.37Å; K30-V34 PolarHBondContact O-N 2.9Å; V34-R38 WeakPolarHBondContact O-CB 3.4Å; V34-R38 PolarHBondContact O-N 3.22Å
35K87.6Confident86Confident158 Ų158113 Ų11369%0.68756%0.557SS**Hα-helixtrans-66.7-40.1175.1-173.5178.8177.3-177.80112.2L31 R32 E33 Q39L31-K35 WeakPolarHBondContact O-CB 3.15Å; L31-K35 PolarHBondContact O-N 3.32Å; R32-K35 WeakPolarHBondContact O-CB 3.41Å; R32-K35 PolarHBondContact O-N 3.44Å; E33-K35 PolarHBondContact O-N 2.88Å; K35-Q39 WeakPolarHBondContact O-CB 3.46Å; K35-Q39 PolarHBondContact O-N 2.86Å
36V92.2Very high87.2Confident97 Ų97114.8 Ų114.859%0.58856%0.56SS**Hα-helixtrans-68.1-46.6176.7171.80000110.8R32 E33 R38 Q39 A40R32-V36 WeakPolarHBondContact O-CG2 3.22Å; R32-V36 PolarHBondContact O-N 3.16Å; R32-V36 VanDerWaalsContact O-N 3.07Å; E33-V36 PolarHBondContact O-N 3Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 3.3Å; V36-Q39 PolarHBondContact O-N 3.07Å; V36-Q39 VanDerWaalsContact O-N 3.16Å; V36-A40 PolarHBondContact O-N 2.9Å
37E90Very high88.7Confident140 Ų140118.9 Ų118.965%0.65457%0.574SS**Hα-helixtrans-60.9-42.2175.3-73.3-170.7159.600111.8E33 Q39 A40 L41E33-E37 PolarHBondContact O-N 3.01Å; E37-Q39 VanDerWaalsContact C-N 3.32Å; E37-Q39 PolarHBondContact O-N 3.04Å; E37-A40 PolarHBondContact O-N 2.96Å; E37-L41 WeakPolarHBondContact O-CB 3.36Å; E37-L41 PolarHBondContact O-N 2.96Å
38R90.8Very high89.6Confident177 Ų177117.4 Ų117.467%0.66857%0.572SS**Hα-helixtrans-60.3-42.8174.5-176.4-176.6179.6-155.3-0.5111.3V34 V36 L41 I42V34-R38 WeakPolarHBondContact O-CB 3.4Å; V34-R38 PolarHBondContact O-N 3.22Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 3.3Å; R38-L41 PolarHBondContact O-N 3.19Å; R38-I42 HydrophobicContact CG-CD1 4.27Å; R38-I42 VanDerWaalsContact O-CG1 3.28Å; R38-I42 WeakPolarHBondContact O-CG1 3.5Å; R38-I42 PolarHBondContact O-N 3.47Å
39Q92.6Very high90.5Very high97 Ų97120 Ų12045%0.45358%0.577SS.*Hα-helixtrans-65-45.5177.7-17259.551.400111.2K35 V36 E37 L41 I42 D43K35-Q39 WeakPolarHBondContact O-CB 3.46Å; K35-Q39 PolarHBondContact O-N 2.86Å; V36-Q39 PolarHBondContact O-N 3.07Å; V36-Q39 VanDerWaalsContact O-N 3.16Å; E37-Q39 VanDerWaalsContact C-N 3.32Å; E37-Q39 PolarHBondContact O-N 3.04Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.37Å; Q39-I42 WeakPolarHBondContact O-CB 3.28Å; Q39-I42 PolarHBondContact O-N 2.92Å; Q39-I42 VanDerWaalsContact O-N 3.09Å; Q39-D43 PolarHBondContact NE2-OD1 2.71Å; Q39-D43 VanDerWaalsContact O-CG 3.24Å; Q39-D43 PolarHBondContact O-N 2.99Å
40A93.9Very high91.3Very high55 Ų55120.6 Ų120.646%0.45558%0.577SS.*Hα-helixtrans-60-37.1175.400000112.3V36 E37 D43 K44V36-A40 PolarHBondContact O-N 2.9Å; E37-A40 PolarHBondContact O-N 2.96Å; A40-D43 PolarHBondContact O-N 3.33Å; A40-K44 WeakPolarHBondContact O-CB 3.32Å; A40-K44 PolarHBondContact O-N 2.91Å
41L94.8Very high92.1Very high120 Ų120118.1 Ų118.163%0.62857%0.572SS**Hα-helixtrans-65.5-41.2174.4-170.773.2000111.8E37 R38 Q39 H45E37-L41 WeakPolarHBondContact O-CB 3.36Å; E37-L41 PolarHBondContact O-N 2.96Å; R38-L41 PolarHBondContact O-N 3.19Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.37Å; L41-H45 WeakPolarHBondContact O-CB 3.45Å; L41-H45 PolarHBondContact O-N 2.95Å
42I94.1Very high92.8Very high82 Ų82115.9 Ų115.942%0.42156%0.564SS.*Hα-helixtrans-63.2-46.1175.7-69.6169.8000110.5R38 Q39 H45 L46R38-I42 HydrophobicContact CG-CD1 4.27Å; R38-I42 VanDerWaalsContact O-CG1 3.28Å; R38-I42 WeakPolarHBondContact O-CG1 3.5Å; R38-I42 PolarHBondContact O-N 3.47Å; Q39-I42 WeakPolarHBondContact O-CB 3.28Å; Q39-I42 PolarHBondContact O-N 2.92Å; Q39-I42 VanDerWaalsContact O-N 3.09Å; I42-H45 PolarHBondContact O-N 3.09Å; I42-L46 PolarHBondContact O-N 3.06Å
43D95.4Very high93.3Very high81 Ų81112.8 Ų112.843%0.43356%0.555SS.*Hα-helixtrans-63.9-45-179.2-62.2-20.2000110.5Q39 A40 H45 L46 E47Q39-D43 PolarHBondContact NE2-OD1 2.71Å; Q39-D43 VanDerWaalsContact O-CG 3.24Å; Q39-D43 PolarHBondContact O-N 2.99Å; A40-D43 PolarHBondContact O-N 3.33Å; D43-H45 VanDerWaalsContact C-N 3.3Å; D43-H45 PolarHBondContact O-N 3.36Å; D43-L46 WeakPolarHBondContact O-CB 3.34Å; D43-L46 PolarHBondContact O-N 2.85Å; D43-E47 PolarHBondContact O-N 3.44Å
44K95.8Very high93.7Very high149 Ų149111.4 Ų111.465%0.64855%0.549SS*.Hα-helixtrans-60-39.5173.5-172.5178.3-179.5177.90112.1A40 T48A40-K44 WeakPolarHBondContact O-CB 3.32Å; A40-K44 PolarHBondContact O-N 2.91Å; K44-T48 WeakPolarHBondContact O-CB 3.36Å; K44-T48 PolarHBondContact O-N 2.93Å; K44-T48 PolarHBondContact O-OG1 2.98Å
45H95.1Very high94.1Very high131 Ų131111.9 Ų111.961%0.60655%0.547SS*.Hα-helixtrans-67.8-39.2177.3-172.762.6000111.9L41 I42 D43 T48 K49L41-H45 WeakPolarHBondContact O-CB 3.45Å; L41-H45 PolarHBondContact O-N 2.95Å; I42-H45 PolarHBondContact O-N 3.09Å; D43-H45 VanDerWaalsContact C-N 3.3Å; D43-H45 PolarHBondContact O-N 3.36Å; H45-T48 PolarHBondContact O-N 3.33Å; H45-K49 VanDerWaalsContact O-CB 3.31Å; H45-K49 WeakPolarHBondContact O-CB 3.39Å; H45-K49 PolarHBondContact O-N 3.17Å
46L96.3Very high94.4Very high120 Ų120109.1 Ų109.163%0.62854%0.54SS*.Hα-helixtrans-62.7-45.3175.7-171.777.2000111.3I42 D43 K49 K50I42-L46 PolarHBondContact O-N 3.06Å; D43-L46 WeakPolarHBondContact O-CB 3.34Å; D43-L46 PolarHBondContact O-N 2.85Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-K50 PolarHBondContact O-N 3.11Å
47E96.1Very high94.5Very high134 Ų134111.9 Ų111.963%0.62654%0.544SS*.Hα-helixtrans-65.3-45.5177.7-171.6143.2-144.100111.5D43 K49 K50 T51D43-E47 PolarHBondContact O-N 3.44Å; E47-K49 VanDerWaalsContact C-N 3.3Å; E47-K49 PolarHBondContact O-N 2.97Å; E47-K50 WeakPolarHBondContact O-CB 3.44Å; E47-K50 PolarHBondContact O-N 3.38Å; E47-T51 PolarHBondContact O-N 3.32Å; E47-T51 PolarHBondContact O-OG1 3.28Å; E47-T51 VanDerWaalsContact O-OG1 3.11Å
48T94.2Very high94.7Very high70 Ų70110.3 Ų110.343%0.42954%0.537SS..Hα-helixtrans-57-44.6173.7-550000111.1K44 H45 K50 T51 V52K44-T48 WeakPolarHBondContact O-CB 3.36Å; K44-T48 PolarHBondContact O-N 2.93Å; K44-T48 PolarHBondContact O-OG1 2.98Å; H45-T48 PolarHBondContact O-N 3.33Å; T48-K50 VanDerWaalsContact C-N 3.31Å; T48-K50 PolarHBondContact O-N 2.96Å; T48-T51 PolarHBondContact O-N 3.33Å; T48-V52 HydrophobicContact CG2-CG2 4.29Å; T48-V52 WeakPolarHBondContact O-CB 3.34Å; T48-V52 VanDerWaalsContact O-CG2 3.25Å; T48-V52 WeakPolarHBondContact O-CG2 3.41Å; T48-V52 PolarHBondContact O-N 2.88Å
49K95.1Very high94.9Very high117 Ų117104.6 Ų104.651%0.50953%0.527SS..Hα-helixtrans-62.4-37.6177-175.3178.9-177.1175.50112.2H45 L46 E47 K53H45-K49 VanDerWaalsContact O-CB 3.31Å; H45-K49 WeakPolarHBondContact O-CB 3.39Å; H45-K49 PolarHBondContact O-N 3.17Å; L46-K49 PolarHBondContact O-N 3.4Å; E47-K49 VanDerWaalsContact C-N 3.3Å; E47-K49 PolarHBondContact O-N 2.97Å; K49-K53 WeakPolarHBondContact O-CB 3.37Å; K49-K53 WeakPolarHBondContact O-CG 3.46Å; K49-K53 PolarHBondContact O-N 3.05Å; K49-K53 VanDerWaalsContact O-N 3.09Å
50K96.6Very high95Very high148 Ų148104.5 Ų104.564%0.64353%0.53SS*.Hα-helixtrans-65.8-48.3175.9-174.5-175175.6-170.90110.7L46 E47 T48 K53 Q54L46-K50 PolarHBondContact O-N 3.11Å; E47-K50 WeakPolarHBondContact O-CB 3.44Å; E47-K50 PolarHBondContact O-N 3.38Å; T48-K50 VanDerWaalsContact C-N 3.31Å; T48-K50 PolarHBondContact O-N 2.96Å; K50-K53 WeakPolarHBondContact O-CB 3.49Å; K50-K53 PolarHBondContact O-N 3.08Å; K50-Q54 PolarHBondContact O-N 2.9Å
51T95.4Very high95.1Very high70 Ų70108.3 Ų108.343%0.42954%0.54SS..Hα-helixtrans-61.6-46.7178.4-54.80000111.5E47 T48 K53 Q54 I55E47-T51 PolarHBondContact O-N 3.32Å; E47-T51 PolarHBondContact O-OG1 3.28Å; E47-T51 VanDerWaalsContact O-OG1 3.11Å; T48-T51 PolarHBondContact O-N 3.33Å; T51-K53 VanDerWaalsContact C-N 3.32Å; T51-K53 PolarHBondContact O-N 2.89Å; T51-Q54 PolarHBondContact O-N 2.87Å; T51-Q54 VanDerWaalsContact O-N 3.08Å; T51-I55 HydrophobicContact CG2-CD1 3.96Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 3.48Å
52V94.8Very high95.1Very high73 Ų73105.2 Ų105.244%0.44253%0.531SS..Hα-helixtrans-59.9-42.2177170.80000111.3T48 Q54 I55 L56T48-V52 HydrophobicContact CG2-CG2 4.29Å; T48-V52 WeakPolarHBondContact O-CB 3.34Å; T48-V52 VanDerWaalsContact O-CG2 3.25Å; T48-V52 WeakPolarHBondContact O-CG2 3.41Å; T48-V52 PolarHBondContact O-N 2.88Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.96Å; V52-I55 PolarHBondContact O-N 3.42Å; V52-L56 HydrophobicContact CG1-CD1 3.99Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 WeakPolarHBondContact O-CG 3.31Å; V52-L56 PolarHBondContact O-N 3.4Å
53K95.2Very high95.2Very high126 Ų126105.3 Ų105.355%0.54853%0.53SS..Hα-helixtrans-61.7-37.2175.1-83-176.5175.9-169.90112.9K49 K50 T51 K57K49-K53 WeakPolarHBondContact O-CB 3.37Å; K49-K53 WeakPolarHBondContact O-CG 3.46Å; K49-K53 PolarHBondContact O-N 3.05Å; K49-K53 VanDerWaalsContact O-N 3.09Å; K50-K53 WeakPolarHBondContact O-CB 3.49Å; K50-K53 PolarHBondContact O-N 3.08Å; T51-K53 VanDerWaalsContact C-N 3.32Å; T51-K53 PolarHBondContact O-N 2.89Å; K53-K57 WeakPolarHBondContact O-CG 3.43Å; K53-K57 PolarHBondContact O-N 3.31Å
54Q95.1Very high95.2Very high106 Ų106106.9 Ų106.950%0.49554%0.537SS..Hα-helixtrans-69.5-46.8178.8-177.8171.1-12.700111.1K50 T51 V52 L56 K57 E58K50-Q54 PolarHBondContact O-N 2.9Å; T51-Q54 PolarHBondContact O-N 2.87Å; T51-Q54 VanDerWaalsContact O-N 3.08Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.96Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.19Å; Q54-K57 WeakPolarHBondContact O-CB 3.47Å; Q54-K57 PolarHBondContact O-N 3.36Å; Q54-K57 VanDerWaalsContact O-N 3.11Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.39Å; Q54-E58 PolarHBondContact NE2-OE1 3Å; Q54-E58 PolarHBondContact O-N 3.41Å
55I94.9Very high95.3Very high98 Ų98106.5 Ų106.550%0.50354%0.538SS..Hα-helixtrans-58-43.7176.7-66.6167.7000111T51 V52 K57 E58 A59T51-I55 HydrophobicContact CG2-CD1 3.96Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 3.48Å; V52-I55 PolarHBondContact O-N 3.42Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.95Å; I55-E58 PolarHBondContact O-N 2.99Å; I55-A59 WeakPolarHBondContact O-CB 3.34Å; I55-A59 PolarHBondContact O-N 3.11Å
56L94.4Very high95.3Very high100 Ų100107.1 Ų107.152%0.52454%0.541SS..Hα-helixtrans-61.5-42.1177.1-73.9169.4000112.1V52 Q54 A59 D60V52-L56 HydrophobicContact CG1-CD1 3.99Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 WeakPolarHBondContact O-CG 3.31Å; V52-L56 PolarHBondContact O-N 3.4Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.19Å; L56-A59 PolarHBondContact O-N 3.09Å; L56-D60 PolarHBondContact O-N 2.92Å
57K95.2Very high95.4Very high155 Ų155108.3 Ų108.367%0.67454%0.537SS*.Hα-helixtrans-64.2-41.4176.2-76.3179.9176.3-169.10112.8K53 Q54 I55 A59 D60 M61K53-K57 WeakPolarHBondContact O-CG 3.43Å; K53-K57 PolarHBondContact O-N 3.31Å; Q54-K57 WeakPolarHBondContact O-CB 3.47Å; Q54-K57 PolarHBondContact O-N 3.36Å; Q54-K57 VanDerWaalsContact O-N 3.11Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.95Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-D60 PolarHBondContact O-N 3.17Å; K57-M61 WeakPolarHBondContact O-CB 3.37Å; K57-M61 PolarHBondContact O-N 3.47Å
58E94.3Very high95.5Very high108 Ų108104.2 Ų104.251%0.50553%0.526SS..Hα-helixtrans-65.1-40.6177.5-73.4169.5-168.100110.7Q54 I55 M61 A62Q54-E58 WeakPolarHBondContact CG-OE1 3.39Å; Q54-E58 PolarHBondContact NE2-OE1 3Å; Q54-E58 PolarHBondContact O-N 3.41Å; I55-E58 PolarHBondContact O-N 2.99Å; E58-M61 PolarHBondContact O-N 3.46Å; E58-A62 WeakPolarHBondContact O-CB 3.44Å; E58-A62 PolarHBondContact O-N 3.35Å
59A93.9Very high95.6Very high57 Ų57102.3 Ų102.347%0.47152%0.521SS..Hα-helixtrans-63.7-44.2174.900000112.7I55 L56 K57 M61 A62 Q63I55-A59 WeakPolarHBondContact O-CB 3.34Å; I55-A59 PolarHBondContact O-N 3.11Å; L56-A59 PolarHBondContact O-N 3.09Å; K57-A59 VanDerWaalsContact C-N 3.34Å; A59-M61 VanDerWaalsContact C-N 3.3Å; A59-M61 PolarHBondContact O-N 2.97Å; A59-A62 PolarHBondContact O-N 3.49Å; A59-Q63 PolarHBondContact O-N 3.4Å
60D95.5Very high95.8Very high95 Ų95101.8 Ų101.851%0.50852%0.52SS..Hα-helixtrans-61.6-40.8175.4-71.3-21.8000111.2L56 K57 Q63 I64L56-D60 PolarHBondContact O-N 2.92Å; K57-D60 PolarHBondContact O-N 3.17Å; D60-Q63 PolarHBondContact O-N 3.45Å; D60-I64 VanDerWaalsContact O-CG1 3.31Å; D60-I64 WeakPolarHBondContact O-CG1 3.37Å; D60-I64 PolarHBondContact O-N 3.33Å; D60-I64 VanDerWaalsContact O-N 3.09Å
61M94.7Very high95.8Very high135 Ų135103.1 Ų103.167%0.66552%0.521SS*.Hα-helixtrans-66.2-44178.5-171.3161.8-73.200111.9K57 E58 A59 Q63 I64 E65K57-M61 WeakPolarHBondContact O-CB 3.37Å; K57-M61 PolarHBondContact O-N 3.47Å; E58-M61 PolarHBondContact O-N 3.46Å; A59-M61 VanDerWaalsContact C-N 3.3Å; A59-M61 PolarHBondContact O-N 2.97Å; M61-Q63 VanDerWaalsContact C-N 3.3Å; M61-Q63 PolarHBondContact O-N 3.37Å; M61-I64 PolarHBondContact O-N 3.06Å; M61-E65 PolarHBondContact O-N 2.91Å
62A95.5Very high96Very high54 Ų54105.4 Ų105.445%0.44653%0.53SS..Hα-helixtrans-60.1-40175.500000111.9E58 A59 I64 E65 E66E58-A62 WeakPolarHBondContact O-CB 3.44Å; E58-A62 PolarHBondContact O-N 3.35Å; A59-A62 PolarHBondContact O-N 3.49Å; A62-I64 PolarHBondContact O-N 3.39Å; A62-E65 PolarHBondContact O-N 2.92Å; A62-E66 WeakPolarHBondContact O-CB 3.45Å; A62-E66 PolarHBondContact O-N 3.09Å
63Q96.2Very high96.1Very high84 Ų84107.3 Ų107.339%0.39354%0.537SS..Hα-helixtrans-65.2-38.8176-169.5-172.541.900112.3A59 D60 M61 R67A59-Q63 PolarHBondContact O-N 3.4Å; D60-Q63 PolarHBondContact O-N 3.45Å; M61-Q63 VanDerWaalsContact C-N 3.3Å; M61-Q63 PolarHBondContact O-N 3.37Å; Q63-R67 WeakPolarHBondContact O-CB 3.43Å; Q63-R67 VanDerWaalsContact O-CG 3.3Å; Q63-R67 WeakPolarHBondContact O-CG 3.31Å; Q63-R67 PolarHBondContact O-N 3.45Å; Q63-R67 VanDerWaalsContact O-N 3.07Å
64I95.8Very high96.3Very high114 Ų114104.6 Ų104.659%0.58553%0.528SS*.Hα-helixtrans-65.8-43.2176.7-68.7165.1000110.2D60 M61 A62 R67 A68D60-I64 VanDerWaalsContact O-CG1 3.31Å; D60-I64 WeakPolarHBondContact O-CG1 3.37Å; D60-I64 PolarHBondContact O-N 3.33Å; D60-I64 VanDerWaalsContact O-N 3.09Å; M61-I64 PolarHBondContact O-N 3.06Å; A62-I64 PolarHBondContact O-N 3.39Å; I64-R67 PolarHBondContact O-N 3.28Å; I64-A68 WeakPolarHBondContact O-CB 3.45Å; I64-A68 PolarHBondContact O-N 2.81Å
65E96.3Very high96.4Very high142 Ų142105.4 Ų105.466%0.66453%0.534SS*.Hα-helixtrans-62.2-46.1177.1-173.2175.8-178.300111.7M61 A62 R67 A68 G69M61-E65 PolarHBondContact O-N 2.91Å; A62-E65 PolarHBondContact O-N 2.92Å; E65-R67 PolarHBondContact O-N 3.19Å; E65-A68 PolarHBondContact O-N 3.44Å; E65-G69 PolarHBondContact O-N 2.93Å
66E96.8Very high96.6Very high143 Ų143104.3 Ų104.367%0.66853%0.527SS*.Hα-helixtrans-57.9-46.6175.7-176.9-177.3-167.800111.5A62 A68 G69 Q70A62-E66 WeakPolarHBondContact O-CB 3.45Å; A62-E66 PolarHBondContact O-N 3.09Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.18Å; E66-G69 PolarHBondContact O-N 2.9Å; E66-Q70 PolarHBondContact O-N 3.02Å
67R97.4Very high96.7Very high145 Ų145106.1 Ų106.155%0.54753%0.532SS..Hα-helixtrans-63.8-38.3177.2-74.1175.3178-178.43.1112.5Q63 I64 E65 R71Q63-R67 WeakPolarHBondContact O-CB 3.43Å; Q63-R67 VanDerWaalsContact O-CG 3.3Å; Q63-R67 WeakPolarHBondContact O-CG 3.31Å; Q63-R67 PolarHBondContact O-N 3.45Å; Q63-R67 VanDerWaalsContact O-N 3.07Å; I64-R67 PolarHBondContact O-N 3.28Å; E65-R67 PolarHBondContact O-N 3.19Å; R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.25Å; R67-R71 PolarHBondContact O-N 3.35Å
68A97.6Very high96.9Very high48 Ų48104.5 Ų104.540%0.39753%0.527SS..Hα-helixtrans-67.4-4317600000110.9I64 E65 E66 R71 L72I64-A68 WeakPolarHBondContact O-CB 3.45Å; I64-A68 PolarHBondContact O-N 2.81Å; E65-A68 PolarHBondContact O-N 3.44Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.18Å; A68-R71 PolarHBondContact O-N 3.14Å; A68-L72 WeakPolarHBondContact O-CG 3.39Å; A68-L72 PolarHBondContact O-N 3.41Å
69G97.9Very high97.1Very high31 Ų31105 Ų10532%0.3253%0.527SS..Hα-helixtrans-58.8-47.8175.200000112.3E65 E66 R71 L72 L73E65-G69 PolarHBondContact O-N 2.93Å; E66-G69 PolarHBondContact O-N 2.9Å; G69-R71 PolarHBondContact O-N 3.42Å; G69-L72 PolarHBondContact O-N 3.39Å; G69-L73 WeakPolarHBondContact O-CG 3.3Å; G69-L73 PolarHBondContact O-N 3.07Å
70Q97.8Very high97.3Very high105 Ų105107 Ų10749%0.49153%0.527SS..Hα-helixtrans-60.8-45.6177.7-171.859.850.700111.9E66 L72 L73 D74E66-Q70 PolarHBondContact O-N 3.02Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 3.34Å; Q70-L73 PolarHBondContact O-N 2.97Å; Q70-D74 PolarHBondContact NE2-OD1 3.18Å; Q70-D74 PolarHBondContact O-N 3.36Å
71R98Very high97.4Very high176 Ų176107.8 Ų107.866%0.66453%0.528SS*.Hα-helixtrans-60.7-38176.8-72.6176.1-173-169.81.9112.5R67 A68 G69 D74 M75R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.25Å; R67-R71 PolarHBondContact O-N 3.35Å; A68-R71 PolarHBondContact O-N 3.14Å; G69-R71 PolarHBondContact O-N 3.42Å; R71-D74 PolarHBondContact O-N 2.94Å; R71-M75 WeakPolarHBondContact O-CB 3.49Å; R71-M75 VanDerWaalsContact O-CG 3.25Å; R71-M75 WeakPolarHBondContact O-CG 3.45Å; R71-M75 PolarHBondContact O-N 3.17Å
72L98.3Very high97.6Very high119 Ų119108.5 Ų108.562%0.62352%0.523SS*.Hα-helixtrans-65.8-40.9177.1-75.5171.1000111.6A68 G69 Q70 M75 E76A68-L72 WeakPolarHBondContact O-CG 3.39Å; A68-L72 PolarHBondContact O-N 3.41Å; G69-L72 PolarHBondContact O-N 3.39Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 3.34Å; L72-M75 PolarHBondContact O-N 3Å; L72-E76 WeakPolarHBondContact O-CB 3.31Å; L72-E76 PolarHBondContact O-N 2.93Å
73L98.2Very high97.7Very high113 Ų113110.4 Ų110.459%0.59252%0.523SS*.Hα-helixtrans-62.5-47.9174.8-68.5172.8000111.3G69 Q70 M75 E76 E77G69-L73 WeakPolarHBondContact O-CG 3.3Å; G69-L73 PolarHBondContact O-N 3.07Å; Q70-L73 PolarHBondContact O-N 2.97Å; L73-M75 VanDerWaalsContact C-N 3.29Å; L73-M75 PolarHBondContact O-N 3.5Å; L73-E76 PolarHBondContact O-N 3.35Å; L73-E77 PolarHBondContact O-N 2.94Å
74D98.3Very high97.8Very high68 Ų68113.1 Ų113.136%0.36453%0.533SS..Hα-helixtrans-59.6-41.3178.2-58.5-17.7000111.1Q70 R71 Q78Q70-D74 PolarHBondContact NE2-OD1 3.18Å; Q70-D74 PolarHBondContact O-N 3.36Å; R71-D74 PolarHBondContact O-N 2.94Å; D74-Q78 WeakPolarHBondContact O-CG 3.33Å; D74-Q78 PolarHBondContact O-N 3.48Å
75M97.9Very high97.9Very high124 Ų124112.6 Ų112.661%0.61153%0.528SS*.Hα-helixtrans-66.3-40.5176.9-76.9-178.172.500112.6R71 L72 L73 Q78 K79R71-M75 WeakPolarHBondContact O-CB 3.49Å; R71-M75 VanDerWaalsContact O-CG 3.25Å; R71-M75 WeakPolarHBondContact O-CG 3.45Å; R71-M75 PolarHBondContact O-N 3.17Å; L72-M75 PolarHBondContact O-N 3Å; L73-M75 VanDerWaalsContact C-N 3.29Å; L73-M75 PolarHBondContact O-N 3.5Å; M75-Q78 PolarHBondContact O-N 2.89Å; M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 PolarHBondContact O-N 3.28Å
76E97.8Very high98Very high75 Ų75110.8 Ų110.835%0.3552%0.523SS..Hα-helixtrans-67.8-39.3178-176.357.7-150.500111L72 L73 K79 Q80L72-E76 WeakPolarHBondContact O-CB 3.31Å; L72-E76 PolarHBondContact O-N 2.93Å; L73-E76 PolarHBondContact O-N 3.35Å; E76-K79 PolarHBondContact O-N 2.85Å; E76-K79 IonicContact OE1-NZ 3.56Å; E76-K79 IonicContact OE2-NZ 3.43Å; E76-K79 PolarHBondContact OE2-NZ 3.16Å; E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.95Å; E76-Q80 PolarHBondContact OE1-NE2 3.18Å; E76-Q80 VanDerWaalsContact OE1-NE2 3.14Å
77E98.3Very high98.1Very high138 Ų138108.9 Ų108.965%0.64551%0.514SS*.Hα-helixtrans-61.6-47.2174-173.5175.4-165.800111.5L73 K79 Q80 H81L73-E77 PolarHBondContact O-N 2.94Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.94Å; E77-Q80 PolarHBondContact O-N 3.17Å; E77-H81 PolarHBondContact O-N 3.3Å
78Q98.2Very high98.2Very high120 Ų120105.9 Ų105.956%0.56151%0.509SS*.Hα-helixtrans-61.6-37.8175.7-73.9178.28.400112.9D74 M75 R82D74-Q78 WeakPolarHBondContact O-CG 3.33Å; D74-Q78 PolarHBondContact O-N 3.48Å; M75-Q78 PolarHBondContact O-N 2.89Å; Q78-R82 WeakPolarHBondContact O-CG 3.34Å; Q78-R82 PolarHBondContact O-N 3.45Å
79K98.3Very high98.2Very high118 Ų118109 Ų10951%0.51352%0.518SS..Hα-helixtrans-65.5-45.8176.1177.5-167.9161.2-154.60110.6M75 E76 E77 H81 R82 Q83M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 PolarHBondContact O-N 3.28Å; E76-K79 PolarHBondContact O-N 2.85Å; E76-K79 IonicContact OE1-NZ 3.56Å; E76-K79 IonicContact OE2-NZ 3.43Å; E76-K79 PolarHBondContact OE2-NZ 3.16Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.94Å; K79-H81 VanDerWaalsContact C-N 3.32Å; K79-H81 PolarHBondContact O-N 2.99Å; K79-R82 PolarHBondContact O-N 2.88Å; K79-Q83 WeakPolarHBondContact O-CB 3.49Å; K79-Q83 PolarHBondContact O-N 3.11Å
80Q98.3Very high98.2Very high101 Ų101113.1 Ų113.147%0.47253%0.529SS..Hα-helixtrans-63.4-38.8177.7-73.2178.914.800112.1E76 E77 Q83 K84E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.95Å; E76-Q80 PolarHBondContact OE1-NE2 3.18Å; E76-Q80 VanDerWaalsContact OE1-NE2 3.14Å; E77-Q80 PolarHBondContact O-N 3.17Å; Q80-Q83 PolarHBondContact O-N 3.38Å; Q80-K84 WeakPolarHBondContact O-CG 3.37Å; Q80-K84 PolarHBondContact O-N 3.37Å; Q80-K84 VanDerWaalsContact O-N 3.17Å
81H98.2Very high98.2Very high111 Ų111112.3 Ų112.351%0.51453%0.525SS..Hα-helixtrans-62.5-51.6175.4-175.944.8000111.5E77 K79 Q83 K84 E85E77-H81 PolarHBondContact O-N 3.3Å; K79-H81 VanDerWaalsContact C-N 3.32Å; K79-H81 PolarHBondContact O-N 2.99Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 3.05Å; H81-K84 PolarHBondContact O-N 3.06Å; H81-K84 VanDerWaalsContact O-N 3.16Å; H81-E85 IonicContact CE1-OE1 3.75Å; H81-E85 IonicContact NE2-OE1 3.44Å; H81-E85 PolarHBondContact NE2-OE1 3.02Å; H81-E85 PolarHBondContact O-N 3.33Å; H81-E85 VanDerWaalsContact O-N 3.11Å
82R98.1Very high98.2Very high149 Ų149108.6 Ų108.656%0.56252%0.515SS*.Hα-helixtrans-61.4-35177.2-75.4-171.1-72.2-179.8-4.5113.1Q78 K79 K84 E85 L86Q78-R82 WeakPolarHBondContact O-CG 3.34Å; Q78-R82 PolarHBondContact O-N 3.45Å; K79-R82 PolarHBondContact O-N 2.88Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-E85 PolarHBondContact O-N 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.33Å; R82-L86 PolarHBondContact O-N 3.41Å
83Q98.3Very high98.2Very high95 Ų95108.4 Ų108.444%0.44451%0.514SS..Hα-helixtrans-62.1-43.5176.4-177.758.435.100111.3K79 Q80 H81 L86 E87K79-Q83 WeakPolarHBondContact O-CB 3.49Å; K79-Q83 PolarHBondContact O-N 3.11Å; Q80-Q83 PolarHBondContact O-N 3.38Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 3.05Å; Q83-L86 PolarHBondContact O-N 3.46Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.38Å; Q83-E87 PolarHBondContact NE2-OE1 3.24Å; Q83-E87 WeakPolarHBondContact O-CG 3.39Å; Q83-E87 PolarHBondContact O-N 2.91Å
84K98.3Very high98.2Very high140 Ų140108.7 Ų108.761%0.60951%0.513SS*.Hα-helixtrans-64.7-40.1175.5-70.3176.3-177.1175.40112.5Q80 H81 R82 L86 E87 D88Q80-K84 WeakPolarHBondContact O-CG 3.37Å; Q80-K84 PolarHBondContact O-N 3.37Å; Q80-K84 VanDerWaalsContact O-N 3.17Å; H81-K84 PolarHBondContact O-N 3.06Å; H81-K84 VanDerWaalsContact O-N 3.16Å; R82-K84 VanDerWaalsContact C-N 3.35Å; K84-L86 VanDerWaalsContact C-N 3.32Å; K84-E87 PolarHBondContact O-N 2.87Å; K84-D88 PolarHBondContact O-N 3.45Å
85E98.4Very high98.2Very high103 Ų103112.1 Ų112.148%0.48152%0.52SS..Hα-helixtrans-62.5-40.5175.4-67.3179.3146.800111.7H81 R82 D88 L89H81-E85 IonicContact CE1-OE1 3.75Å; H81-E85 IonicContact NE2-OE1 3.44Å; H81-E85 PolarHBondContact NE2-OE1 3.02Å; H81-E85 PolarHBondContact O-N 3.33Å; H81-E85 VanDerWaalsContact O-N 3.11Å; R82-E85 PolarHBondContact O-N 3.28Å; E85-D88 PolarHBondContact O-N 3.32Å; E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 PolarHBondContact O-N 3.49Å
86L98.4Very high98.2Very high105 Ų105110.2 Ų110.255%0.5552%0.518SS..Hα-helixtrans-64.2-43.4175.7-77.6170000111.9R82 Q83 K84 L89 E90R82-L86 WeakPolarHBondContact O-CG 3.33Å; R82-L86 PolarHBondContact O-N 3.41Å; Q83-L86 PolarHBondContact O-N 3.46Å; K84-L86 VanDerWaalsContact C-N 3.32Å; L86-L89 PolarHBondContact O-N 3.02Å; L86-E90 WeakPolarHBondContact O-CB 3.36Å; L86-E90 PolarHBondContact O-N 2.94Å
87E98.4Very high98.2Very high103 Ų103109.6 Ų109.648%0.48152%0.52SS..Hα-helixtrans-61.3-44.3177.2-74.5165.3-166.900111.8Q83 K84 E90 E91Q83-E87 WeakPolarHBondContact CG-OE1 3.38Å; Q83-E87 PolarHBondContact NE2-OE1 3.24Å; Q83-E87 WeakPolarHBondContact O-CG 3.39Å; Q83-E87 PolarHBondContact O-N 2.91Å; K84-E87 PolarHBondContact O-N 2.87Å; E87-E90 PolarHBondContact O-N 3.34Å; E87-E91 PolarHBondContact O-N 2.64Å
88D98.4Very high98.2Very high82 Ų82105.1 Ų105.144%0.43951%0.506SS..Hα-helixtrans-63-43.9175.7-17876.3000111.6K84 E85 E90 E91 Q92K84-D88 PolarHBondContact O-N 3.45Å; E85-D88 PolarHBondContact O-N 3.32Å; D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.46Å; D88-E91 PolarHBondContact O-N 2.95Å; D88-Q92 WeakPolarHBondContact O-CG 3.36Å; D88-Q92 PolarHBondContact O-N 2.98Å; D88-Q92 PolarHBondContact OD2-NE2 3.45Å
89L98.3Very high98.2Very high113 Ų113106.5 Ų106.559%0.59251%0.51SS*.Hα-helixtrans-65.6-37.9179.3-156.575000112E85 L86 Q92 L93E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 PolarHBondContact O-N 3.49Å; L86-L89 PolarHBondContact O-N 3.02Å; L89-Q92 PolarHBondContact O-N 3.37Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 PolarHBondContact O-N 3.3Å
90E98.3Very high98.2Very high118 Ų118103.7 Ų103.755%0.55151%0.506SS*.Hα-helixtrans-65.2-42175.4-171.9171.4-173.800111.2L86 E87 D88 L93 Q94L86-E90 WeakPolarHBondContact O-CB 3.36Å; L86-E90 PolarHBondContact O-N 2.94Å; E87-E90 PolarHBondContact O-N 3.34Å; D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.46Å; E90-L93 PolarHBondContact O-N 2.91Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 2.98Å
91E98.3Very high98.2Very high88 Ų88104.7 Ų104.741%0.41151%0.51SS..Hα-helixtrans-63.5-42.8175.1-167-177.5-175.300111.5E87 D88 L93 Q94 R95E87-E91 PolarHBondContact O-N 2.64Å; D88-E91 PolarHBondContact O-N 2.95Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.5Å; E91-Q94 PolarHBondContact O-N 3.31Å; E91-R95 WeakPolarHBondContact O-CG 3.36Å; E91-R95 PolarHBondContact O-N 2.91Å; E91-R95 IonicContact OE1-CZ 3.76Å; E91-R95 IonicContact OE1-NE 3.35Å; E91-R95 IonicContact OE1-NH2 3.69Å; E91-R95 PolarHBondContact OE1-NH2 3.4Å; E91-R95 IonicContact OE2-NH2 3.4Å; E91-R95 PolarHBondContact OE2-NH2 2.92Å
92Q98.3Very high98.2Very high98 Ų98104 Ų10446%0.45851%0.51SS..Hα-helixtrans-61.3-42.5174.8-70.5-17440.500112D88 L89 R95 C96D88-Q92 WeakPolarHBondContact O-CG 3.36Å; D88-Q92 PolarHBondContact O-N 2.98Å; D88-Q92 PolarHBondContact OD2-NE2 3.45Å; L89-Q92 PolarHBondContact O-N 3.37Å; Q92-R95 PolarHBondContact O-N 2.86Å; Q92-C96 WeakPolarHBondContact O-CB 3.46Å; Q92-C96 PolarHBondContact O-N 3.28Å
93L98.4Very high98.1Very high114 Ų114100.1 Ų100.160%0.59750%0.503SS*.Hα-helixtrans-63.3-44.1177.4-177.265.6000111.5L89 E90 E91 R95 C96 T97L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 PolarHBondContact O-N 3.3Å; E90-L93 PolarHBondContact O-N 2.91Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.5Å; L93-R95 PolarHBondContact O-N 3.47Å; L93-C96 PolarHBondContact O-N 2.91Å; L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.36Å; L93-T97 PolarHBondContact O-OG1 2.73Å
94Q98.2Very high98.1Very high120 Ų12099.4 Ų99.456%0.56150%0.502SS*.Hα-helixtrans-60.3-45.8175.6-74.4-179.67.100111.5E90 E91 C96 T97 A98E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 2.98Å; E91-Q94 PolarHBondContact O-N 3.31Å; Q94-C96 PolarHBondContact O-N 3.41Å; Q94-T97 PolarHBondContact O-N 3.37Å; Q94-A98 WeakPolarHBondContact O-CB 3.34Å; Q94-A98 PolarHBondContact O-N 2.75Å
95R98.1Very high98.1Very high140 Ų14096.2 Ų96.253%0.52850%0.497SS..Hα-helixtrans-61.3-42.6176.4-70.9173.7-174.1171.21.9112E91 Q92 L93 K99E91-R95 WeakPolarHBondContact O-CG 3.36Å; E91-R95 PolarHBondContact O-N 2.91Å; E91-R95 IonicContact OE1-CZ 3.76Å; E91-R95 IonicContact OE1-NE 3.35Å; E91-R95 IonicContact OE1-NH2 3.69Å; E91-R95 PolarHBondContact OE1-NH2 3.4Å; E91-R95 IonicContact OE2-NH2 3.4Å; E91-R95 PolarHBondContact OE2-NH2 2.92Å; Q92-R95 PolarHBondContact O-N 2.86Å; L93-R95 PolarHBondContact O-N 3.47Å; R95-K99 WeakPolarHBondContact O-CG 3.42Å; R95-K99 PolarHBondContact O-N 2.78Å; R95-K99 VanDerWaalsContact O-N 3.07Å
96C97.6Very high98.1Very high83 Ų8396.6 Ų96.656%0.56150%0.499SS*.Hα-helixtrans-64.8-43.5177.7-168.90000111.5Q92 L93 Q94 K99 S100Q92-C96 WeakPolarHBondContact O-CB 3.46Å; Q92-C96 PolarHBondContact O-N 3.28Å; L93-C96 PolarHBondContact O-N 2.91Å; Q94-C96 PolarHBondContact O-N 3.41Å; C96-K99 PolarHBondContact O-N 3.35Å; C96-S100 PolarHBondContact O-N 3.47Å
97T98.1Very high98.1Very high63 Ų6395.5 Ų95.539%0.38749%0.493SS..Hα-helixtrans-62.2-45.8178.4-56.10000111.2L93 Q94 K99 S100 Q101L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.36Å; L93-T97 PolarHBondContact O-OG1 2.73Å; Q94-T97 PolarHBondContact O-N 3.37Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-K99 PolarHBondContact O-N 3.32Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.37Å; T97-Q101 WeakPolarHBondContact O-CG 3.48Å; T97-Q101 PolarHBondContact O-N 2.97Å
98A97.9Very high98.1Very high44 Ų4496.5 Ų96.536%0.36450%0.497SS..Hα-helixtrans-61.3-43176.500000111.9Q94 Q101 I102Q94-A98 WeakPolarHBondContact O-CB 3.34Å; Q94-A98 PolarHBondContact O-N 2.75Å; A98-Q101 PolarHBondContact O-N 3.23Å; A98-I102 VanDerWaalsContact O-CG1 3.31Å; A98-I102 WeakPolarHBondContact O-CG1 3.39Å; A98-I102 PolarHBondContact O-N 3Å; A98-I102 VanDerWaalsContact O-N 3.08Å
99K98Very high98.1Very high148 Ų14899 Ų9964%0.64350%0.504SS*.Hα-helixtrans-61.2-44.3174.6-74.1177.7-179.2-176.70111.9R95 C96 T97 Q101 I102 T103R95-K99 WeakPolarHBondContact O-CG 3.42Å; R95-K99 PolarHBondContact O-N 2.78Å; R95-K99 VanDerWaalsContact O-N 3.07Å; C96-K99 PolarHBondContact O-N 3.35Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-K99 PolarHBondContact O-N 3.32Å; K99-Q101 PolarHBondContact O-N 2.89Å; K99-I102 PolarHBondContact O-N 3.46Å; K99-T103 PolarHBondContact O-N 3.08Å; K99-T103 PolarHBondContact O-OG1 3.09Å; K99-T103 VanDerWaalsContact O-OG1 3.06Å
100S98.1Very high98.1Very high60 Ų6098.4 Ų98.442%0.4250%0.501SS..Hα-helixtrans-58.2-48.3176.8-167.50000111.2C96 T97 I102 T103 D104C96-S100 PolarHBondContact O-N 3.47Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.37Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.07Å; S100-T103 PolarHBondContact O-N 3.27Å; S100-D104 WeakPolarHBondContact O-CB 3.31Å; S100-D104 PolarHBondContact O-N 3.44Å; S100-D104 PolarHBondContact OG-OD2 3.44Å
101Q97.9Very high98.1Very high121 Ų12198.7 Ų98.757%0.56550%0.503SS*.Hα-helixtrans-61.1-38.7-179.8-72.2175.9-13.400112.9T97 A98 K99 S105T97-Q101 WeakPolarHBondContact O-CG 3.48Å; T97-Q101 PolarHBondContact O-N 2.97Å; A98-Q101 PolarHBondContact O-N 3.23Å; K99-Q101 PolarHBondContact O-N 2.89Å; Q101-S105 WeakPolarHBondContact O-CB 3.37Å; Q101-S105 PolarHBondContact O-N 3.06Å; Q101-S105 VanDerWaalsContact O-N 3.09Å; Q101-S105 PolarHBondContact O-OG 3.38Å
102I97.6Very high98.1Very high98 Ų9899.1 Ų99.150%0.50351%0.512SS..Hα-helixtrans-64.4-51.5175.4-67.9165.1000109.8A98 K99 S100 D104 S105 E106A98-I102 VanDerWaalsContact O-CG1 3.31Å; A98-I102 WeakPolarHBondContact O-CG1 3.39Å; A98-I102 PolarHBondContact O-N 3Å; A98-I102 VanDerWaalsContact O-N 3.08Å; K99-I102 PolarHBondContact O-N 3.46Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.07Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.32Å; I102-S105 WeakPolarHBondContact O-CB 3.39Å; I102-S105 PolarHBondContact O-N 2.91Å; I102-S105 VanDerWaalsContact O-N 3.12Å; I102-E106 PolarHBondContact O-N 3.46Å
103T97.8Very high98.1Very high67 Ų6799 Ų9941%0.41151%0.511SS..Hα-helixtrans-60.8-40.7179.5-55.20000112K99 S100 S105 E106 I107K99-T103 PolarHBondContact O-N 3.08Å; K99-T103 PolarHBondContact O-OG1 3.09Å; K99-T103 VanDerWaalsContact O-OG1 3.06Å; S100-T103 PolarHBondContact O-N 3.27Å; T103-S105 VanDerWaalsContact C-N 3.28Å; T103-S105 PolarHBondContact O-N 3.25Å; T103-E106 PolarHBondContact O-N 2.89Å; T103-I107 HydrophobicContact CG2-CD1 4.07Å; T103-I107 HydrophobicContact CG2-CG1 4.5Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.47Å; T103-I107 PolarHBondContact O-N 3.12Å
104D98.3Very high98.1Very high80 Ų8097.6 Ų97.643%0.42850%0.504SS..Hα-helixtrans-62.1-39.2177.1-69.7-29.3000111.2S100 I102 I107 Q108S100-D104 WeakPolarHBondContact O-CB 3.31Å; S100-D104 PolarHBondContact O-N 3.44Å; S100-D104 PolarHBondContact OG-OD2 3.44Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.32Å; D104-I107 PolarHBondContact O-N 3.07Å; D104-Q108 WeakPolarHBondContact O-CG 3.32Å; D104-Q108 PolarHBondContact O-N 2.97Å; D104-Q108 VanDerWaalsContact O-N 3.07Å
105S97.9Very high98.1Very high73 Ų7395.8 Ų95.851%0.5150%0.495SS..Hα-helixtrans-67.3-41.8175.5-55.70000111.8Q101 I102 T103 Q108 F109Q101-S105 WeakPolarHBondContact O-CB 3.37Å; Q101-S105 PolarHBondContact O-N 3.06Å; Q101-S105 VanDerWaalsContact O-N 3.09Å; Q101-S105 PolarHBondContact O-OG 3.38Å; I102-S105 WeakPolarHBondContact O-CB 3.39Å; I102-S105 PolarHBondContact O-N 2.91Å; I102-S105 VanDerWaalsContact O-N 3.12Å; T103-S105 VanDerWaalsContact C-N 3.28Å; T103-S105 PolarHBondContact O-N 3.25Å; S105-Q108 PolarHBondContact O-N 2.92Å; S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 PolarHBondContact O-N 3.38Å
106E98Very high98Very high111 Ų11192 Ų9252%0.51949%0.49SS..Hα-helixtrans-62.1-42.1174.8-73.1178-175.600111.7I102 T103 F109 L110I102-E106 PolarHBondContact O-N 3.46Å; T103-E106 PolarHBondContact O-N 2.89Å; E106-F109 PolarHBondContact O-N 2.81Å; E106-L110 WeakPolarHBondContact O-CB 3.45Å; E106-L110 WeakPolarHBondContact O-CG 3.32Å; E106-L110 PolarHBondContact O-N 3.41Å
107I98.3Very high98.1Very high81 Ų8191.8 Ų91.842%0.41549%0.486SS..Hα-helixtrans-61.5-46.9176.5-72168.8000110.7T103 D104 F109 L110 Q111T103-I107 HydrophobicContact CG2-CD1 4.07Å; T103-I107 HydrophobicContact CG2-CG1 4.5Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.47Å; T103-I107 PolarHBondContact O-N 3.12Å; D104-I107 PolarHBondContact O-N 3.07Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 3.22Å; I107-L110 PolarHBondContact O-N 3.43Å; I107-Q111 HydrophobicContact CG2-CG 4.35Å; I107-Q111 WeakPolarHBondContact O-CB 3.41Å; I107-Q111 VanDerWaalsContact O-CG 3.25Å; I107-Q111 WeakPolarHBondContact O-CG 3.49Å; I107-Q111 PolarHBondContact O-N 3.36Å
108Q98.2Very high98.1Very high125 Ų12594.8 Ų94.858%0.58449%0.49SS*.Hα-helixtrans-62.2-40178.2-73.2178.43.800112.1D104 S105 T112D104-Q108 WeakPolarHBondContact O-CG 3.32Å; D104-Q108 PolarHBondContact O-N 2.97Å; D104-Q108 VanDerWaalsContact O-N 3.07Å; S105-Q108 PolarHBondContact O-N 2.92Å; Q108-T112 PolarHBondContact O-N 2.98Å; Q108-T112 VanDerWaalsContact O-N 3.09Å; Q108-T112 PolarHBondContact O-OG1 3.37Å
109F98.2Very high98Very high133 Ų13395.6 Ų95.658%0.58349%0.488SS*.Hα-helixtrans-60.5-52.9175176-95.3000111.2S105 E106 I107 Q111 T112 E113S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 PolarHBondContact O-N 3.38Å; E106-F109 PolarHBondContact O-N 2.81Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 3.22Å; F109-Q111 VanDerWaalsContact C-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.86Å; F109-T112 WeakPolarHBondContact O-CB 3.25Å; F109-T112 PolarHBondContact O-N 3.1Å; F109-T112 VanDerWaalsContact O-N 3.1Å; F109-E113 WeakPolarHBondContact CE1-OE2 3.42Å; F109-E113 PolarHBondContact O-N 2.9Å
110L98.3Very high98Very high101 Ų10191.9 Ų91.953%0.52948%0.478SS..Hα-helixtrans-63-36.3-179.6-69.9174.3000112.7E106 I107 T112 E113 L114E106-L110 WeakPolarHBondContact O-CB 3.45Å; E106-L110 WeakPolarHBondContact O-CG 3.32Å; E106-L110 PolarHBondContact O-N 3.41Å; I107-L110 PolarHBondContact O-N 3.43Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-E113 PolarHBondContact O-N 3.35Å; L110-L114 WeakPolarHBondContact O-CB 3.22Å; L110-L114 PolarHBondContact O-N 2.95Å
111Q98.3Very high97.9Very high125 Ų12595 Ų9558%0.58449%0.486SS*.Hα-helixtrans-62.5-41.6174.1-77.3174.8-1200111.8I107 F109 L114 E115I107-Q111 HydrophobicContact CG2-CG 4.35Å; I107-Q111 WeakPolarHBondContact O-CB 3.41Å; I107-Q111 VanDerWaalsContact O-CG 3.25Å; I107-Q111 WeakPolarHBondContact O-CG 3.49Å; I107-Q111 PolarHBondContact O-N 3.36Å; F109-Q111 VanDerWaalsContact C-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.86Å; Q111-L114 PolarHBondContact O-N 3.5Å; Q111-E115 PolarHBondContact O-N 3.42Å
112T98.1Very high97.9Very high97 Ų9794.7 Ų94.760%0.59548%0.48SS*.Hα-helixtrans-66.2-44.2177.6-55.40000111Q108 F109 L110 E115 S116Q108-T112 PolarHBondContact O-N 2.98Å; Q108-T112 VanDerWaalsContact O-N 3.09Å; Q108-T112 PolarHBondContact O-OG1 3.37Å; F109-T112 WeakPolarHBondContact O-CB 3.25Å; F109-T112 PolarHBondContact O-N 3.1Å; F109-T112 VanDerWaalsContact O-N 3.1Å; L110-T112 VanDerWaalsContact C-N 3.32Å; T112-E115 PolarHBondContact O-N 3.09Å; T112-S116 PolarHBondContact O-N 2.89Å
113E98.1Very high97.9Very high95 Ų9596.1 Ų96.144%0.44448%0.484SS..Hα-helixtrans-61.9-44.6177-167.7175.4-170.800111.1F109 L110 E115 S116 V117F109-E113 WeakPolarHBondContact CE1-OE2 3.42Å; F109-E113 PolarHBondContact O-N 2.9Å; L110-E113 PolarHBondContact O-N 3.35Å; E113-E115 PolarHBondContact O-N 3.31Å; E113-S116 WeakPolarHBondContact O-CB 3.44Å; E113-S116 PolarHBondContact O-N 3.01Å; E113-S116 VanDerWaalsContact O-N 3.16Å; E113-S116 PolarHBondContact O-OG 3.38Å; E113-V117 WeakPolarHBondContact O-CG2 3.46Å; E113-V117 PolarHBondContact O-N 3.42Å
114L98.2Very high97.8Very high85 Ų8598.3 Ų98.345%0.44549%0.493SS..Hα-helixtrans-62.7-40.1177.9-176.6145.2000112.6L110 Q111 S116 V117 R118L110-L114 WeakPolarHBondContact O-CB 3.22Å; L110-L114 PolarHBondContact O-N 2.95Å; Q111-L114 PolarHBondContact O-N 3.5Å; L114-S116 VanDerWaalsContact C-N 3.35Å; L114-V117 PolarHBondContact O-N 3.01Å; L114-R118 WeakPolarHBondContact O-CG 3.48Å; L114-R118 PolarHBondContact O-N 2.94Å
115E98.1Very high97.7Very high82 Ų82100.1 Ų100.138%0.38350%0.499SS..Hα-helixtrans-67.4-37.6175-165.359.5-150.400111.6Q111 T112 E113 V117 R118 N119 R122Q111-E115 PolarHBondContact O-N 3.42Å; T112-E115 PolarHBondContact O-N 3.09Å; E113-E115 PolarHBondContact O-N 3.31Å; E115-V117 PolarHBondContact O-N 3.02Å; E115-R118 PolarHBondContact O-N 2.64Å; E115-R118 IonicContact OE2-NH1 2.83Å; E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 3.2Å; E115-N119 PolarHBondContact O-ND2 3.29Å; E115-R122 IonicContact OE1-NH2 3.52Å; E115-R122 PolarHBondContact OE1-NH2 3.4Å
116S97.9Very high97.5Very high59 Ų59100.4 Ų100.441%0.41350%0.498SS..Hα-helixtrans-62-43.6174.780.10000111.8T112 E113 L114 N119 T120T112-S116 PolarHBondContact O-N 2.89Å; E113-S116 WeakPolarHBondContact O-CB 3.44Å; E113-S116 PolarHBondContact O-N 3.01Å; E113-S116 VanDerWaalsContact O-N 3.16Å; E113-S116 PolarHBondContact O-OG 3.38Å; L114-S116 VanDerWaalsContact C-N 3.35Å; S116-N119 WeakPolarHBondContact O-CB 3.37Å; S116-N119 PolarHBondContact O-N 3.16Å; S116-T120 WeakPolarHBondContact O-CG2 3.46Å; S116-T120 PolarHBondContact O-N 2.97Å
117V97.9Very high97.3Very high80 Ų8099.6 Ų99.649%0.48550%0.497SS..Hα-helixtrans-63.8-44.8177.7172.30000110.6E113 L114 E115 N119 T120 E121E113-V117 WeakPolarHBondContact O-CG2 3.46Å; E113-V117 PolarHBondContact O-N 3.42Å; L114-V117 PolarHBondContact O-N 3.01Å; E115-V117 PolarHBondContact O-N 3.02Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 3.44Å; V117-T120 WeakPolarHBondContact CA-OG1 3.47Å; V117-T120 PolarHBondContact O-N 2.92Å; V117-T120 VanDerWaalsContact O-N 3.15Å; V117-T120 PolarHBondContact O-OG1 3.48Å; V117-E121 WeakPolarHBondContact O-CB 3.4Å; V117-E121 PolarHBondContact O-N 3.38Å
118R98Very high97Very high125 Ų125101.6 Ų101.647%0.47250%0.504SS..Hα-helixtrans-59.8-36.4175.1-76.3175.5170.3168.6-1.9113.1L114 E115 R122L114-R118 WeakPolarHBondContact O-CG 3.48Å; L114-R118 PolarHBondContact O-N 2.94Å; E115-R118 PolarHBondContact O-N 2.64Å; E115-R118 IonicContact OE2-NH1 2.83Å; R118-R122 PolarHBondContact O-N 2.82Å; R118-R122 VanDerWaalsContact O-N 3.09Å
119N97.8Very high96.5Very high61 Ų61100.1 Ų100.133%0.32650%0.5SS..Hα-helixtrans-65.2-47.4174.7-70-25.4000110.8E115 S116 V117 E121 R122 E123E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 3.2Å; E115-N119 PolarHBondContact O-ND2 3.29Å; S116-N119 WeakPolarHBondContact O-CB 3.37Å; S116-N119 PolarHBondContact O-N 3.16Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 3.44Å; N119-E121 VanDerWaalsContact C-N 3.31Å; N119-E121 PolarHBondContact O-N 2.97Å; N119-R122 PolarHBondContact O-N 2.75Å; N119-R122 PolarHBondContact OD1-NH1 3.48Å; N119-R122 PolarHBondContact OD1-NH2 2.85Å; N119-E123 WeakPolarHBondContact O-CG 3.47Å; N119-E123 PolarHBondContact O-N 3.15Å
120T96.8Very high96Very high70 Ų7099.2 Ų99.243%0.42950%0.498SS..Hα-helixtrans-63.5-35.7177.159.70000112.9S116 V117 E123 L124S116-T120 WeakPolarHBondContact O-CG2 3.46Å; S116-T120 PolarHBondContact O-N 2.97Å; V117-T120 WeakPolarHBondContact CA-OG1 3.47Å; V117-T120 PolarHBondContact O-N 2.92Å; V117-T120 VanDerWaalsContact O-N 3.15Å; V117-T120 PolarHBondContact O-OG1 3.48Å; T120-E123 PolarHBondContact O-N 3.26Å; T120-L124 WeakPolarHBondContact O-CB 3.41Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.45Å; T120-L124 PolarHBondContact O-N 3.09Å
121E97.1Very high95.4Very high125 Ų12598 Ų9858%0.58449%0.494SS*.Hα-helixtrans-63.3-46.2175.6-177.4177.4-152.900111.1V117 N119 E123 L124 E125V117-E121 WeakPolarHBondContact O-CB 3.4Å; V117-E121 PolarHBondContact O-N 3.38Å; N119-E121 VanDerWaalsContact C-N 3.31Å; N119-E121 PolarHBondContact O-N 2.97Å; E121-E123 PolarHBondContact O-N 3.33Å; E121-L124 PolarHBondContact O-N 2.71Å; E121-E125 WeakPolarHBondContact O-CB 3.35Å; E121-E125 PolarHBondContact O-N 3.04Å
122R97.3Very high94.8Very high116 Ų11695.4 Ų95.444%0.43849%0.485SS..Hα-helixtrans-61.7-42.3174.9-81.3-174.1-99.297.9-2.6112.4E115 R118 N119 E125 T126E115-R122 IonicContact OE1-NH2 3.52Å; E115-R122 PolarHBondContact OE1-NH2 3.4Å; R118-R122 PolarHBondContact O-N 2.82Å; R118-R122 VanDerWaalsContact O-N 3.09Å; N119-R122 PolarHBondContact O-N 2.75Å; N119-R122 PolarHBondContact OD1-NH1 3.48Å; N119-R122 PolarHBondContact OD1-NH2 2.85Å; R122-E125 PolarHBondContact O-N 3.41Å; R122-T126 WeakPolarHBondContact O-CG2 3.5Å; R122-T126 PolarHBondContact O-N 3.32Å; R122-T126 PolarHBondContact O-OG1 3.5Å
123E96.9Very high93.9Very high127 Ų12796.8 Ų96.859%0.59348%0.484SS*.Hα-helixtrans-61.8-43.4176-72.7172.1-168.900111.6N119 T120 E121 T126 L127N119-E123 WeakPolarHBondContact O-CG 3.47Å; N119-E123 PolarHBondContact O-N 3.15Å; T120-E123 PolarHBondContact O-N 3.26Å; E121-E123 PolarHBondContact O-N 3.33Å; E123-T126 WeakPolarHBondContact CA-OG1 3.31Å; E123-T126 PolarHBondContact O-N 2.68Å; E123-T126 PolarHBondContact O-OG1 3.02Å; E123-L127 PolarHBondContact O-N 3.37Å
124L96.4Very high92.9Very high114 Ų11496.9 Ų96.960%0.59749%0.488SS*.Hα-helixtrans-64.9-40.4176.4-74173.7000112.4T120 E121 T126 L127 Q128T120-L124 WeakPolarHBondContact O-CB 3.41Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.45Å; T120-L124 PolarHBondContact O-N 3.09Å; E121-L124 PolarHBondContact O-N 2.71Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.33Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-Q128 WeakPolarHBondContact O-CB 3.46Å; L124-Q128 PolarHBondContact O-N 3.01Å
125E95.7Very high91.7Very high118 Ų11896.3 Ų96.355%0.55149%0.488SS*.Hα-helixtrans-61.9-42.3175.8-173.5178.3-16200111.2E121 R122 Q128 N129E121-E125 WeakPolarHBondContact O-CB 3.35Å; E121-E125 PolarHBondContact O-N 3.04Å; R122-E125 PolarHBondContact O-N 3.41Å; E125-Q128 PolarHBondContact O-N 3.02Å; E125-N129 PolarHBondContact O-N 2.85Å; E125-N129 PolarHBondContact O-ND2 3.1Å; E125-N129 VanDerWaalsContact O-ND2 3.12Å
126T94.6Very high90.4Very high79 Ų7996.4 Ų96.449%0.48549%0.494SS..Hα-helixtrans-62.5-45.6175.152.30000112.1R122 E123 L124 Q128 N129 E130R122-T126 WeakPolarHBondContact O-CG2 3.5Å; R122-T126 PolarHBondContact O-N 3.32Å; R122-T126 PolarHBondContact O-OG1 3.5Å; E123-T126 WeakPolarHBondContact CA-OG1 3.31Å; E123-T126 PolarHBondContact O-N 2.68Å; E123-T126 PolarHBondContact O-OG1 3.02Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.33Å; T126-Q128 VanDerWaalsContact C-N 3.31Å; T126-Q128 PolarHBondContact O-N 3.35Å; T126-N129 PolarHBondContact O-N 3.29Å; T126-E130 WeakPolarHBondContact O-CG 3.47Å; T126-E130 PolarHBondContact O-N 3.45Å
127L93Very high89.1Confident94 Ų94100.1 Ų100.149%0.49251%0.505SS..Hα-helixtrans-64.8-37.3179-173.367000111.7E123 L124 E130 V131E123-L127 PolarHBondContact O-N 3.37Å; L124-L127 PolarHBondContact O-N 2.9Å; L127-E130 PolarHBondContact O-N 2.85Å; L127-V131 WeakPolarHBondContact O-CG2 3.36Å; L127-V131 PolarHBondContact O-N 3.16Å
128Q91.1Very high88Confident122 Ų122100 Ų10057%0.5750%0.504SS*.Hα-helixtrans-63.3-45.1176-178.2165.716.800111.3L124 E125 T126 E130 V131 D132L124-Q128 WeakPolarHBondContact O-CB 3.46Å; L124-Q128 PolarHBondContact O-N 3.01Å; E125-Q128 PolarHBondContact O-N 3.02Å; T126-Q128 VanDerWaalsContact C-N 3.31Å; T126-Q128 PolarHBondContact O-N 3.35Å; Q128-E130 VanDerWaalsContact C-N 3.34Å; Q128-E130 PolarHBondContact O-N 3.06Å; Q128-V131 PolarHBondContact O-N 3.26Å; Q128-D132 WeakPolarHBondContact O-CB 3.37Å; Q128-D132 PolarHBondContact O-N 3.42Å
129N89.1Confident86.8Confident94 Ų9498.7 Ų98.750%0.50351%0.506SS..Hα-helixtrans-61.8-40.5176.9-70.6-36.8000112.3E125 T126 D132 E133E125-N129 PolarHBondContact O-N 2.85Å; E125-N129 PolarHBondContact O-ND2 3.1Å; E125-N129 VanDerWaalsContact O-ND2 3.12Å; T126-N129 PolarHBondContact O-N 3.29Å; N129-D132 PolarHBondContact O-N 3.38Å; N129-E133 PolarHBondContact O-N 3.48Å
130E87.8Confident85.8Confident114 Ų11498.9 Ų98.953%0.53351%0.51SS..Hα-helixtrans-61.1-46.2175.2-71.7175.9-174.900111.7T126 L127 Q128 D132 E133 D134T126-E130 WeakPolarHBondContact O-CG 3.47Å; T126-E130 PolarHBondContact O-N 3.45Å; L127-E130 PolarHBondContact O-N 2.85Å; Q128-E130 VanDerWaalsContact C-N 3.34Å; Q128-E130 PolarHBondContact O-N 3.06Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.93Å; E130-E133 PolarHBondContact O-N 3.37Å; E130-D134 PolarHBondContact O-N 3.12Å; E130-D134 VanDerWaalsContact O-N 3.1Å
131V85.9Confident85Confident75 Ų7598.8 Ų98.846%0.45551%0.513SS..Hα-helixtrans-64.7-39.8177.6170.50000111.5L127 Q128 D134 T135L127-V131 WeakPolarHBondContact O-CG2 3.36Å; L127-V131 PolarHBondContact O-N 3.16Å; Q128-V131 PolarHBondContact O-N 3.26Å; V131-D134 PolarHBondContact O-N 2.75Å; V131-T135 WeakPolarHBondContact O-CB 3.22Å; V131-T135 PolarHBondContact O-N 3.03Å; V131-T135 PolarHBondContact O-OG1 2.92Å
132D84.1Confident84.4Confident72 Ų7295.6 Ų95.639%0.38551%0.508SS..Hα-helixtrans-65.5-42.8177.8-77-19.4000110.7Q128 N129 E130 T135 T136Q128-D132 WeakPolarHBondContact O-CB 3.37Å; Q128-D132 PolarHBondContact O-N 3.42Å; N129-D132 PolarHBondContact O-N 3.38Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.93Å; D132-T135 PolarHBondContact O-N 2.87Å; D132-T136 VanDerWaalsContact O-CB 3.26Å; D132-T136 WeakPolarHBondContact O-CB 3.4Å; D132-T136 WeakPolarHBondContact O-CG2 3.41Å; D132-T136 PolarHBondContact O-N 2.83Å; D132-T136 PolarHBondContact O-OG1 3.29Å
133E80.3Confident83.8Confident126 Ų12693.5 Ų93.559%0.58951%0.508SS*.Hα-helixtrans-58.1-50.2174.4-176174.4-17700111.6N129 E130 T135 E137 V138N129-E133 PolarHBondContact O-N 3.48Å; E130-E133 PolarHBondContact O-N 3.37Å; E133-T135 VanDerWaalsContact C-N 3.35Å; E133-T135 PolarHBondContact O-N 3.38Å; E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 3.22Å; E133-V138 PolarHBondContact O-N 3.21Å
134D76.8Confident83.3Confident97 Ų9794.7 Ų94.752%0.51951%0.508SS..Iπ-helixtrans-61.7-42.7179.1-81-15.7000112.1E130 V131 I139E130-D134 PolarHBondContact O-N 3.12Å; E130-D134 VanDerWaalsContact O-N 3.1Å; V131-D134 PolarHBondContact O-N 2.75Å; D134-I139 VanDerWaalsContact O-CG1 3.31Å; D134-I139 WeakPolarHBondContact O-CG1 3.29Å; D134-I139 PolarHBondContact O-N 3.06Å
135T73Confident83Confident73 Ų7392.4 Ų92.445%0.44850%0.498SS..Iπ-helixtrans-82.2-32.9-172.7-52.30000113.1V131 D132 E133 P140V131-T135 WeakPolarHBondContact O-CB 3.22Å; V131-T135 PolarHBondContact O-N 3.03Å; V131-T135 PolarHBondContact O-OG1 2.92Å; D132-T135 PolarHBondContact O-N 2.87Å; E133-T135 VanDerWaalsContact C-N 3.35Å; E133-T135 PolarHBondContact O-N 3.38Å; T135-P140 VanDerWaalsContact O-CD 3.24Å; T135-P140 WeakPolarHBondContact O-CD 3.34Å; T135-P140 WeakPolarHBondContact O-CG 3.43Å
136T70.4Confident82.6Confident84 Ų8489.7 Ų89.752%0.51550%0.496SS..Iπ-helixtrans-98.7-28.1-173.265.50000113.7D132 P140D132-T136 VanDerWaalsContact O-CB 3.26Å; D132-T136 WeakPolarHBondContact O-CB 3.4Å; D132-T136 WeakPolarHBondContact O-CG2 3.41Å; D132-T136 PolarHBondContact O-N 2.83Å; D132-T136 PolarHBondContact O-OG1 3.29Å; T136-P140 WeakPolarHBondContact O-CG 3.24Å
137E72.2Confident82.3Confident136 Ų13691 Ų9164%0.63650%0.497SS*.Iπ-helixtrans-106.7-52-179.3-65-69.4149.900111.5E133 S141E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 3.22Å; E137-S141 WeakPolarHBondContact O-CB 3.47Å; E137-S141 PolarHBondContact O-N 2.64Å
138V73.7Confident82.2Confident78 Ų7888.6 Ų88.647%0.47349%0.486SS..Iπ-helixtrans-77.5-51.3-168.8-176.10000112.5E133 S141 A142E133-V138 PolarHBondContact O-N 3.21Å; V138-S141 PolarHBondContact O-N 2.96Å; V138-A142 WeakPolarHBondContact O-CB 3.39Å; V138-A142 PolarHBondContact O-N 3.5Å
139I73.3Confident82.2Confident97 Ų9789.8 Ų89.850%0.49749%0.486SS..Hα-helixtrans-62.5-49-177.3-66.8172.4000111.8D134 S141 A142 V143D134-I139 VanDerWaalsContact O-CG1 3.31Å; D134-I139 WeakPolarHBondContact O-CG1 3.29Å; D134-I139 PolarHBondContact O-N 3.06Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.77Å; I139-A142 PolarHBondContact O-N 3.38Å; I139-V143 HydrophobicContact CG2-CG2 4.37Å; I139-V143 WeakPolarHBondContact O-CB 3.26Å; I139-V143 VanDerWaalsContact O-CG2 3.28Å; I139-V143 WeakPolarHBondContact O-CG2 3.18Å; I139-V143 PolarHBondContact O-N 2.84Å
140P76.1Confident82.3Confident65 Ų6589 Ų8942%0.42248%0.477SS..Hα-helixtrans-63.4-37.8179.1-24.437.5000112.4T135 T136 V143 Y144T135-P140 VanDerWaalsContact O-CD 3.24Å; T135-P140 WeakPolarHBondContact O-CD 3.34Å; T135-P140 WeakPolarHBondContact O-CG 3.43Å; T136-P140 WeakPolarHBondContact O-CG 3.24Å; P140-V143 PolarHBondContact O-N 3.02Å; P140-Y144 WeakPolarHBondContact O-CB 3.31Å; P140-Y144 PolarHBondContact O-N 2.77Å
141S80.3Confident82.4Confident69 Ų6988.5 Ų88.548%0.48348%0.477SS..Hα-helixtrans-62.9-47.8175.6-179.40000112E137 V138 I139 V143 Y144 V145E137-S141 WeakPolarHBondContact O-CB 3.47Å; E137-S141 PolarHBondContact O-N 2.64Å; V138-S141 PolarHBondContact O-N 2.96Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.77Å; S141-V143 VanDerWaalsContact C-N 3.35Å; S141-V143 PolarHBondContact O-N 2.82Å; S141-Y144 PolarHBondContact O-N 3.34Å; S141-V145 WeakPolarHBondContact O-CG2 3.08Å; S141-V145 PolarHBondContact O-N 3.5Å
142A84.2Confident82.6Confident58 Ų5888.8 Ų88.848%0.47948%0.475SS..Hα-helixtrans-62.7-41.3177.900000112.2V138 I139 V145 A146V138-A142 WeakPolarHBondContact O-CB 3.39Å; V138-A142 PolarHBondContact O-N 3.5Å; I139-A142 PolarHBondContact O-N 3.38Å; A142-V145 PolarHBondContact O-N 3.06Å; A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.41Å
143V85.5Confident82.9Confident72 Ų7286.4 Ų86.444%0.43646%0.463SS..Hα-helixtrans-62.4-45174.4171.50000110.6I139 P140 S141 A146 Q147I139-V143 HydrophobicContact CG2-CG2 4.37Å; I139-V143 WeakPolarHBondContact O-CB 3.26Å; I139-V143 VanDerWaalsContact O-CG2 3.28Å; I139-V143 WeakPolarHBondContact O-CG2 3.18Å; I139-V143 PolarHBondContact O-N 2.84Å; P140-V143 PolarHBondContact O-N 3.02Å; S141-V143 VanDerWaalsContact C-N 3.35Å; S141-V143 PolarHBondContact O-N 2.82Å; V143-A146 PolarHBondContact O-N 3.36Å; V143-Q147 HydrophobicContact CG1-CG 4.39Å; V143-Q147 WeakPolarHBondContact O-CB 2.98Å; V143-Q147 VanDerWaalsContact O-CG 3.23Å; V143-Q147 WeakPolarHBondContact O-CG 3.41Å; V143-Q147 PolarHBondContact O-N 2.59Å
144Y86.5Confident83.4Confident152 Ų15284 Ų8460%0.59645%0.451SS*.Hα-helixtrans-62.2-46.7177.5179.2-101.2000111.8P140 S141 A146 Q147 V148P140-Y144 WeakPolarHBondContact O-CB 3.31Å; P140-Y144 PolarHBondContact O-N 2.77Å; S141-Y144 PolarHBondContact O-N 3.34Å; Y144-A146 PolarHBondContact O-N 2.77Å; Y144-Q147 CarbonylContact O-C 3.58Å; Y144-Q147 WeakPolarHBondContact O-CB 3.45Å; Y144-Q147 PolarHBondContact O-N 2.87Å; Y144-Q147 VanDerWaalsContact O-N 3.15Å; Y144-V148 HydrophobicContact CD1-CG2 4.02Å; Y144-V148 HydrophobicContact CD2-CG2 4.37Å; Y144-V148 HydrophobicContact CE1-CG2 3.56Å; Y144-V148 HydrophobicContact CE2-CG2 3.96Å; Y144-V148 HydrophobicContact CG-CG2 4.41Å; Y144-V148 WeakPolarHBondContact O-CG2 3.13Å; Y144-V148 PolarHBondContact O-N 3.35Å
145V88.8Confident84.2Confident65 Ų6579.8 Ų79.839%0.39443%0.428SS..Hα-helixtrans-59.1-47177.21710000110.8S141 A142 Q147 V148 Y149S141-V145 WeakPolarHBondContact O-CG2 3.08Å; S141-V145 PolarHBondContact O-N 3.5Å; A142-V145 PolarHBondContact O-N 3.06Å; V145-Q147 VanDerWaalsContact C-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.94Å; V145-V148 PolarHBondContact O-N 2.89Å; V145-Y149 HydrophobicContact CG1-CD2 3.72Å; V145-Y149 HydrophobicContact CG1-CE2 3.52Å; V145-Y149 WeakPolarHBondContact O-CD2 3.28Å; V145-Y149 PolarHBondContact O-N 3.41Å
146A87.9Confident85.1Confident62 Ų6281.6 Ų81.651%0.51243%0.43SS..Hα-helixtrans-60.9-40.4175.900000112.1A142 V143 Y144 Y150A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.41Å; V143-A146 PolarHBondContact O-N 3.36Å; Y144-A146 PolarHBondContact O-N 2.77Å; A146-Y150 PolarHBondContact O-N 3.43Å
147Q88.3Confident86.2Confident107 Ų10781.1 Ų81.150%0.542%0.419SS..Hα-helixtrans-64.3-42.9174.9-75.4175.87.400112.1V143 Y144 V145 Y150 L151V143-Q147 HydrophobicContact CG1-CG 4.39Å; V143-Q147 WeakPolarHBondContact O-CB 2.98Å; V143-Q147 VanDerWaalsContact O-CG 3.23Å; V143-Q147 WeakPolarHBondContact O-CG 3.41Å; V143-Q147 PolarHBondContact O-N 2.59Å; Y144-Q147 CarbonylContact O-C 3.58Å; Y144-Q147 WeakPolarHBondContact O-CB 3.45Å; Y144-Q147 PolarHBondContact O-N 2.87Å; Y144-Q147 VanDerWaalsContact O-N 3.15Å; V145-Q147 VanDerWaalsContact C-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.94Å; Q147-Y150 CarbonylContact O-C 3.55Å; Q147-Y150 PolarHBondContact O-N 3.46Å; Q147-L151 WeakPolarHBondContact O-CB 3.23Å; Q147-L151 VanDerWaalsContact O-CG 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.4Å; Q147-L151 PolarHBondContact O-N 3.39Å
148V90.9Very high87.3Confident43 Ų4378.7 Ų78.726%0.26141%0.407SS..Hα-helixtrans-62.4-46.7177.5169.90000110.7Y144 V145 Y150 L151 I152Y144-V148 HydrophobicContact CD1-CG2 4.02Å; Y144-V148 HydrophobicContact CD2-CG2 4.37Å; Y144-V148 HydrophobicContact CE1-CG2 3.56Å; Y144-V148 HydrophobicContact CE2-CG2 3.96Å; Y144-V148 HydrophobicContact CG-CG2 4.41Å; Y144-V148 WeakPolarHBondContact O-CG2 3.13Å; Y144-V148 PolarHBondContact O-N 3.35Å; V145-V148 PolarHBondContact O-N 2.89Å; V148-Y150 VanDerWaalsContact C-N 3.29Å; V148-Y150 PolarHBondContact O-N 2.98Å; V148-L151 PolarHBondContact O-N 2.76Å; V148-L151 VanDerWaalsContact O-N 3.08Å; V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.35Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.48Å; V148-I152 PolarHBondContact O-N 2.97Å
149Y90.4Very high88Confident147 Ų14784.6 Ų84.658%0.57642%0.423SS*.Hα-helixtrans-58.3-42.8174.8-82.5-65.7000111.9V145 T153V145-Y149 HydrophobicContact CG1-CD2 3.72Å; V145-Y149 HydrophobicContact CG1-CE2 3.52Å; V145-Y149 WeakPolarHBondContact O-CD2 3.28Å; V145-Y149 PolarHBondContact O-N 3.41Å; Y149-T153 WeakPolarHBondContact O-CB 3.49Å; Y149-T153 WeakPolarHBondContact O-CG2 3.34Å; Y149-T153 PolarHBondContact O-N 2.89Å; Y149-T153 PolarHBondContact O-OG1 3.21Å
150Y91.1Very high88.8Confident77 Ų7787.3 Ų87.330%0.30244%0.438SS..Hα-helixtrans-65.9-38.4174.2176.3-107.4000112.6A146 Q147 V148 I152 K154 I155 K156A146-Y150 PolarHBondContact O-N 3.43Å; Q147-Y150 CarbonylContact O-C 3.55Å; Q147-Y150 PolarHBondContact O-N 3.46Å; V148-Y150 VanDerWaalsContact C-N 3.29Å; V148-Y150 PolarHBondContact O-N 2.98Å; Y150-I152 VanDerWaalsContact C-N 3.34Å; Y150-I152 PolarHBondContact O-N 3.46Å; Y150-K154 WeakPolarHBondContact O-CA 3.33Å; Y150-K154 PolarHBondContact O-N 3.4Å; Y150-I155 WeakPolarHBondContact CD2-O 3.26Å; Y150-K156 HydrophobicContact CD2-CG 3.92Å; Y150-K156 HydrophobicContact CE2-CD 4.15Å; Y150-K156 HydrophobicContact CE2-CG 3.46Å; Y150-K156 VanDerWaalsContact CE2-CG 3.46Å; Y150-K156 WeakPolarHBondContact OH-CE 3.21Å
151L89.9Confident89.5Confident103 Ų10386.5 Ų86.554%0.53943%0.432SS..Hα-helixtrans-65.7-39.3179.9-78.1173000112.1Q147 V148 K154Q147-L151 WeakPolarHBondContact O-CB 3.23Å; Q147-L151 VanDerWaalsContact O-CG 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.4Å; Q147-L151 PolarHBondContact O-N 3.39Å; V148-L151 PolarHBondContact O-N 2.76Å; V148-L151 VanDerWaalsContact O-N 3.08Å; L151-K154 WeakPolarHBondContact O-CE 3.46Å; L151-K154 PolarHBondContact O-NZ 2.87Å; L151-K154 VanDerWaalsContact O-NZ 3.13Å
152I90.4Very high89.9Confident82 Ų8289 Ų8942%0.42144%0.436SS..Hα-helixtrans-73-54.2178.4-65.1167.1000110.1V148 Y150 W196V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.35Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.48Å; V148-I152 PolarHBondContact O-N 2.97Å; Y150-I152 VanDerWaalsContact C-N 3.34Å; Y150-I152 PolarHBondContact O-N 3.46Å; I152-W196 HydrophobicContact CG2-CH2 4.12Å; I152-W196 HydrophobicContact CG2-CZ3 3.87Å
153T90.9Very high90.1Very high22 Ų2292.9 Ų92.914%0.13546%0.457CS..Hα-helixtrans-86.8-24.6-169.964.80000113.4Y149 I155 H170 V199Y149-T153 WeakPolarHBondContact O-CB 3.49Å; Y149-T153 WeakPolarHBondContact O-CG2 3.34Å; Y149-T153 PolarHBondContact O-N 2.89Å; Y149-T153 PolarHBondContact O-OG1 3.21Å; T153-I155 WeakPolarHBondContact O-CG1 3.46Å; T153-I155 PolarHBondContact O-N 2.85Å; T153-I155 VanDerWaalsContact O-N 3.12Å; T153-I155 PolarHBondContact OG1-N 2.63Å; T153-H170 PolarHBondContact O-CD2 3.34Å; T153-H170 PolarHBondContact O-NE2 2.86Å; T153-V199 HydrophobicContact CG2-CG2 4.47Å
154K91.6Very high90.3Very high75 Ų7592 Ų9233%0.32645%0.449SS..  trans54.520.4-168.4-53.4-62.2-177.5-167.20114.3Y150 L151 Y171Y150-K154 WeakPolarHBondContact O-CA 3.33Å; Y150-K154 PolarHBondContact O-N 3.4Å; L151-K154 WeakPolarHBondContact O-CE 3.46Å; L151-K154 PolarHBondContact O-NZ 2.87Å; L151-K154 VanDerWaalsContact O-NZ 3.13Å; K154-Y171 VanDerWaalsContact CB-O 3.29Å; K154-Y171 WeakPolarHBondContact CB-O 3.36Å; K154-Y171 PolarHBondContact O-N 3.49Å
155I93.2Very high90.6Very high9 Ų986.9 Ų86.95%0.04643%0.432CS..EExtended strand (participates in β ladder)trans-95.2130.8179.3-60.3170000110.2Y150 T153 W157 V169 H170 I179 L195Y150-I155 WeakPolarHBondContact CD2-O 3.26Å; T153-I155 WeakPolarHBondContact O-CG1 3.46Å; T153-I155 PolarHBondContact O-N 2.85Å; T153-I155 VanDerWaalsContact O-N 3.12Å; T153-I155 PolarHBondContact OG1-N 2.63Å; I155-W157 HydrophobicContact CB-CZ2 4.49Å; I155-W157 HydrophobicContact CD1-CZ2 4.3Å; I155-W157 HydrophobicContact CG2-CD2 3.84Å; I155-W157 HydrophobicContact CG2-CE3 4.09Å; I155-W157 HydrophobicContact CG2-CG 4.49Å; I155-W157 HydrophobicContact CG2-CH2 3.91Å; I155-W157 HydrophobicContact CG2-CZ2 3.65Å; I155-W157 HydrophobicContact CG2-CZ3 4.1Å; I155-V169 WeakPolarHBondContact CA-O 3.31Å; I155-H170 HydrophobicContact CG1-CB 4.14Å; I155-I179 HydrophobicContact CD1-CD1 3.74Å; I155-I179 HydrophobicContact CG1-CD1 3.92Å; I155-I179 HydrophobicContact CG2-CD1 3.8Å; I155-L195 HydrophobicContact CD1-CD2 4.24Å
156K92.4Very high90.8Very high110 Ų11086 Ų8648%0.47843%0.425SS..EExtended strand (participates in β ladder)trans-105.8125.1165-62-169.9177.6178.30110Y150 G168 V169 Y171Y150-K156 HydrophobicContact CD2-CG 3.92Å; Y150-K156 HydrophobicContact CE2-CD 4.15Å; Y150-K156 HydrophobicContact CE2-CG 3.46Å; Y150-K156 VanDerWaalsContact CE2-CG 3.46Å; Y150-K156 WeakPolarHBondContact OH-CE 3.21Å; K156-G168 CarbonylContact O-C 3.58Å; K156-G168 WeakPolarHBondContact O-CA 3.28Å; K156-V169 PolarHBondContact N-O 3.02Å; K156-V169 PolarHBondContact O-N 3.18Å; K156-Y171 HydrophobicContact CB-CE2 4.06Å; K156-Y171 HydrophobicContact CD-CD2 4.37Å; K156-Y171 HydrophobicContact CD-CE2 3.85Å; K156-Y171 HydrophobicContact CG-CD2 4.12Å; K156-Y171 HydrophobicContact CG-CE2 3.86Å
157W93.6Very high91Very high75 Ų7586.7 Ų86.728%0.28442%0.416SS..EExtended strand (participates in β ladder)trans-87.4145.7178.4-62.3115000112I155 Y159 L166 I179 L195I155-W157 HydrophobicContact CB-CZ2 4.49Å; I155-W157 HydrophobicContact CD1-CZ2 4.3Å; I155-W157 HydrophobicContact CG2-CD2 3.84Å; I155-W157 HydrophobicContact CG2-CE3 4.09Å; I155-W157 HydrophobicContact CG2-CG 4.49Å; I155-W157 HydrophobicContact CG2-CH2 3.91Å; I155-W157 HydrophobicContact CG2-CZ2 3.65Å; I155-W157 HydrophobicContact CG2-CZ3 4.1Å; W157-Y159 HydrophobicContact CB-CE1 4.09Å; W157-L166 HydrophobicContact CD2-CD1 4.16Å; W157-L166 HydrophobicContact CE3-CD1 3.72Å; W157-L166 HydrophobicContact CE3-CG 4.04Å; W157-L166 HydrophobicContact CH2-CD1 3.91Å; W157-L166 HydrophobicContact CH2-CD2 3.66Å; W157-L166 HydrophobicContact CH2-CG 3.69Å; W157-L166 HydrophobicContact CZ2-CD1 4.31Å; W157-L166 HydrophobicContact CZ2-CD2 4.37Å; W157-L166 HydrophobicContact CZ3-CD1 3.62Å; W157-L166 HydrophobicContact CZ3-CD2 3.96Å; W157-L166 HydrophobicContact CZ3-CG 3.43Å; W157-L166 VanDerWaalsContact CZ3-CG 3.43Å; W157-I179 HydrophobicContact CH2-CD1 4.25Å; W157-I179 HydrophobicContact CH2-CG2 4.18Å; W157-I179 HydrophobicContact CZ3-CB 4.37Å; W157-I179 HydrophobicContact CZ3-CD1 4.4Å; W157-I179 HydrophobicContact CZ3-CG2 3.89Å; W157-L195 HydrophobicContact CH2-CD1 4Å; W157-L195 HydrophobicContact CH2-CD2 3.7Å; W157-L195 HydrophobicContact CZ2-CD1 4.12Å; W157-L195 HydrophobicContact CZ2-CD2 4.33Å
158E93.8Very high91.3Very high84 Ų8481.8 Ų81.839%0.39339%0.394SS..  trans-96.1110171.2-172.2178.4156.500108.6T161 K167E158-T161 HydrophobicContact CB-CG2 4.32Å; E158-T161 HydrophobicContact CG-CG2 4.02Å; E158-T161 PolarHBondContact O-OG1 3.31Å; E158-K167 HydrophobicContact CB-CB 4.41Å; E158-K167 PolarHBondContact N-O 3.37Å; E158-K167 IonicContact OE1-NZ 2.77Å; E158-K167 PolarHBondContact OE1-NZ 3.35Å; E158-K167 WeakPolarHBondContact OE2-CD 3.42Å; E158-K167 WeakPolarHBondContact OE2-CE 3.37Å; E158-K167 IonicContact OE2-NZ 3.37Å; E158-K167 PolarHBondContact OE2-NZ 3.19Å
159Y88.9Confident91.4Very high203 Ų20381.8 Ų81.880%0.79639%0.394SS*.  trans-83.1-15.8-172.6-58.9-74.9000113.9W157 T161W157-Y159 HydrophobicContact CB-CE1 4.09Å; Y159-T161 VanDerWaalsContact C-N 3.32Å; Y159-T161 PolarHBondContact O-N 3.34Å
160D90.9Very high91.6Very high153 Ų15375.6 Ų75.682%0.81837%0.37SS*.SBendtrans-91.563.5178.8-167.422000110.9
161T88.9Confident91.5Very high49 Ų4976.9 Ų76.930%0.30138%0.375SS..SBendtrans-138.9169.6-17856.80000112.3E158 Y159 I165 K167E158-T161 HydrophobicContact CB-CG2 4.32Å; E158-T161 HydrophobicContact CG-CG2 4.02Å; E158-T161 PolarHBondContact O-OG1 3.31Å; Y159-T161 VanDerWaalsContact C-N 3.32Å; Y159-T161 PolarHBondContact O-N 3.34Å; T161-I165 PolarHBondContact OG1-O 3.23Å; T161-K167 HydrophobicContact CG2-CB 3.88Å; T161-K167 HydrophobicContact CG2-CD 3.79Å; T161-K167 HydrophobicContact CG2-CG 4.48Å
162Q90.8Very high91.1Very high122 Ų12273 Ų7357%0.5736%0.361SS*.  trans-65.1145.4178-64.3179.3-2.100110.6N164 I165Q162-N164 PolarHBondContact O-N 2.87Å; Q162-I165 HydrophobicContact CB-CB 4.35Å; Q162-I165 HydrophobicContact CB-CD1 3.95Å; Q162-I165 HydrophobicContact CB-CG1 4.02Å; Q162-I165 HydrophobicContact CG-CD1 4.19Å; Q162-I165 PolarHBondContact O-N 3.07Å
163P86.8Confident90.5Very high139 Ų13975 Ų7590%0.90338%0.379SS*.THydrogen-bonded Turntrans-57.6-25.5-174.8-26.734.5000115.4
164N91.3Very high89.8Confident52 Ų5280.5 Ų80.528%0.27841%0.407SS..THydrogen-bonded Turntrans-94.11.6177.765.1-60.9000113.6Q162 D182 T183Q162-N164 PolarHBondContact O-N 2.87Å; N164-D182 PolarHBondContact ND2-OD1 3.11Å; N164-D182 VanDerWaalsContact ND2-OD1 3.16Å; N164-D182 CarbonylContact O-C 3.56Å; N164-D182 WeakPolarHBondContact O-CA 3.49Å; N164-T183 WeakPolarHBondContact CA-OG1 3.33Å; N164-T183 PolarHBondContact O-N 3.25Å; N164-T183 PolarHBondContact O-OG1 2.81Å; N164-T183 VanDerWaalsContact O-OG1 3.06Å
165I92.3Very high89.4Confident46 Ų4684.1 Ų84.124%0.23643%0.43CS..EExtended strand (participates in β ladder)trans-111.3114.8179.8-60.5-179.7000108.9T161 Q162 K167 N180T161-I165 PolarHBondContact OG1-O 3.23Å; Q162-I165 HydrophobicContact CB-CB 4.35Å; Q162-I165 HydrophobicContact CB-CD1 3.95Å; Q162-I165 HydrophobicContact CB-CG1 4.02Å; Q162-I165 HydrophobicContact CG-CD1 4.19Å; Q162-I165 PolarHBondContact O-N 3.07Å; I165-K167 HydrophobicContact CG2-CB 4.31Å; I165-N180 WeakPolarHBondContact CG2-OD1 3.48Å
166L91.8Very high89.2Confident47 Ų4785.9 Ų85.925%0.24645%0.446CS..EExtended strand (participates in β ladder)trans-91.5104172.5-174.966.7000109.3W157 N180 V181 T183 I191 L195W157-L166 HydrophobicContact CD2-CD1 4.16Å; W157-L166 HydrophobicContact CE3-CD1 3.72Å; W157-L166 HydrophobicContact CE3-CG 4.04Å; W157-L166 HydrophobicContact CH2-CD1 3.91Å; W157-L166 HydrophobicContact CH2-CD2 3.66Å; W157-L166 HydrophobicContact CH2-CG 3.69Å; W157-L166 HydrophobicContact CZ2-CD1 4.31Å; W157-L166 HydrophobicContact CZ2-CD2 4.37Å; W157-L166 HydrophobicContact CZ3-CD1 3.62Å; W157-L166 HydrophobicContact CZ3-CD2 3.96Å; W157-L166 HydrophobicContact CZ3-CG 3.43Å; W157-L166 VanDerWaalsContact CZ3-CG 3.43Å; L166-N180 WeakPolarHBondContact O-CA 3.43Å; L166-V181 HydrophobicContact CB-CB 4.4Å; L166-V181 PolarHBondContact N-O 3.37Å; L166-V181 PolarHBondContact O-N 3.02Å; L166-T183 HydrophobicContact CB-CG2 3.98Å; L166-I191 HydrophobicContact CD2-CG2 4.06Å; L166-L195 HydrophobicContact CD2-CD1 3.89Å
167K93.8Very high89.1Confident76 Ų7683.3 Ų83.333%0.3344%0.439SS..EExtended strand (participates in β ladder)trans-121.5134.9-175.6-166-179.2173.6-149.50111.7E158 T161 I165 I179E158-K167 HydrophobicContact CB-CB 4.41Å; E158-K167 PolarHBondContact N-O 3.37Å; E158-K167 IonicContact OE1-NZ 2.77Å; E158-K167 PolarHBondContact OE1-NZ 3.35Å; E158-K167 WeakPolarHBondContact OE2-CD 3.42Å; E158-K167 WeakPolarHBondContact OE2-CE 3.37Å; E158-K167 IonicContact OE2-NZ 3.37Å; E158-K167 PolarHBondContact OE2-NZ 3.19Å; T161-K167 HydrophobicContact CG2-CB 3.88Å; T161-K167 HydrophobicContact CG2-CD 3.79Å; T161-K167 HydrophobicContact CG2-CG 4.48Å; I165-K167 HydrophobicContact CG2-CB 4.31Å; K167-I179 CarbonylContact C-O 3.54Å; K167-I179 VanDerWaalsContact CA-O 3.29Å; K167-I179 WeakPolarHBondContact CA-O 3.42Å
168G93.8Very high89.1Confident4 Ų484.7 Ų84.74%0.04146%0.458CS..EExtended strand (participates in β ladder)trans-170.2-171.9-179.200000113K156 I179K156-G168 CarbonylContact O-C 3.58Å; K156-G168 WeakPolarHBondContact O-CA 3.28Å; G168-I179 PolarHBondContact N-O 3.25Å; G168-I179 PolarHBondContact O-N 2.91Å
169V93.8Very high89Confident43 Ų4381 Ų8126%0.26144%0.441SS..EExtended strand (participates in β ladder)trans-136.7129.1176.8-176.60000109.3I155 K156 Y171 A176I155-V169 WeakPolarHBondContact CA-O 3.31Å; K156-V169 PolarHBondContact N-O 3.02Å; K156-V169 PolarHBondContact O-N 3.18Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD2 4.32Å; V169-Y171 HydrophobicContact CG1-CE1 4.1Å; V169-Y171 HydrophobicContact CG1-CE2 3.78Å; V169-Y171 WeakPolarHBondContact O-CD2 3.43Å; V169-A176 HydrophobicContact CG1-CB 3.96Å
170H93.2Very high89.2Confident16 Ų1676.9 Ų76.97%0.07443%0.432CS..EExtended strand (participates in β ladder)trans-89.1128.6172.3177.2-117.3000110.9T153 I155 G172 A176 T177 I179 F198T153-H170 PolarHBondContact O-CD2 3.34Å; T153-H170 PolarHBondContact O-NE2 2.86Å; I155-H170 HydrophobicContact CG1-CB 4.14Å; H170-G172 VanDerWaalsContact CE1-CA 3.49Å; H170-G172 WeakPolarHBondContact CE1-CA 3.29Å; H170-G172 PolarHBondContact CE1-N 3.21Å; H170-A176 CarbonylContact O-C 3.56Å; H170-A176 VanDerWaalsContact O-CA 3.29Å; H170-A176 WeakPolarHBondContact O-CA 3.42Å; H170-T177 PolarHBondContact N-O 3.12Å; H170-T177 PolarHBondContact O-N 3.33Å; H170-I179 HydrophobicContact CB-CD1 4.21Å; H170-F198 HydrophobicContact CB-CD1 4.39Å; H170-F198 HydrophobicContact CB-CG 4.49Å; H170-F198 PolarHBondContact CE1-O 3.49Å; H170-F198 AromaticContact ND1-CD1 3.81Å; H170-F198 PolarHBondContact NE2-O 3.38Å
171Y89.4Confident89.2Confident104 Ų10469.9 Ų69.941%0.40840%0.395SS..  trans-112.663-179.7-64.2-85.7000111.4K154 K156 V169 A176K154-Y171 VanDerWaalsContact CB-O 3.29Å; K154-Y171 WeakPolarHBondContact CB-O 3.36Å; K154-Y171 PolarHBondContact O-N 3.49Å; K156-Y171 HydrophobicContact CB-CE2 4.06Å; K156-Y171 HydrophobicContact CD-CD2 4.37Å; K156-Y171 HydrophobicContact CD-CE2 3.85Å; K156-Y171 HydrophobicContact CG-CD2 4.12Å; K156-Y171 HydrophobicContact CG-CE2 3.86Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD2 4.32Å; V169-Y171 HydrophobicContact CG1-CE1 4.1Å; V169-Y171 HydrophobicContact CG1-CE2 3.78Å; V169-Y171 WeakPolarHBondContact O-CD2 3.43Å; Y171-A176 HydrophobicContact CD1-CB 3.97Å; Y171-A176 HydrophobicContact CE1-CB 4.02Å
172G81.7Confident89.3Confident22 Ų2270.3 Ų70.323%0.22740%0.395CS..  trans-71.5-172.8173.900000113.7H170 D174H170-G172 VanDerWaalsContact CE1-CA 3.49Å; H170-G172 WeakPolarHBondContact CE1-CA 3.29Å; H170-G172 PolarHBondContact CE1-N 3.21Å; G172-D174 PolarHBondContact O-N 3.42Å
173P76.9Confident89.2Confident123 Ų12367.3 Ų67.380%0.79939%0.386SS*.SBendtrans-64.6-21.3174.227.2-34.2000113.2
174D76.8Confident89.4Confident138 Ų13864.7 Ų64.774%0.73837%0.371SS*.SBendtrans-92.9-170.5176.8-64-45.7000112.7G172 A176G172-D174 PolarHBondContact O-N 3.42Å; D174-A176 PolarHBondContact O-N 3.02Å
175L84.3Confident89.4Confident152 Ų15267.4 Ų67.480%0.79639%0.389SS*.SBendtrans-58.5136.8177.3-173.167.5000111.5T177L175-T177 PolarHBondContact O-N 3.28Å; L175-T177 PolarHBondContact O-OG1 2.68Å
176A88.9Confident89.2Confident46 Ų4669.8 Ų69.838%0.3840%0.395SS..  trans-54.1124178.100000111.3V169 H170 Y171 D174V169-A176 HydrophobicContact CG1-CB 3.96Å; H170-A176 CarbonylContact O-C 3.56Å; H170-A176 VanDerWaalsContact O-CA 3.29Å; H170-A176 WeakPolarHBondContact O-CA 3.42Å; Y171-A176 HydrophobicContact CD1-CB 3.97Å; Y171-A176 HydrophobicContact CE1-CB 4.02Å; D174-A176 PolarHBondContact O-N 3.02Å
177T90.4Very high89.2Confident56 Ų5670 Ų7034%0.34440%0.4SS..EExtended strand (participates in β ladder)trans-108122.5-172.8-59.90000110.4H170 L175 F198H170-T177 PolarHBondContact N-O 3.12Å; H170-T177 PolarHBondContact O-N 3.33Å; L175-T177 PolarHBondContact O-N 3.28Å; L175-T177 PolarHBondContact O-OG1 2.68Å; T177-F198 HydrophobicContact CG2-CE1 3.86Å; T177-F198 HydrophobicContact CG2-CZ 4.37Å
178P92.3Very high89Confident104 Ų10477 Ų7768%0.67542%0.424SS*.EExtended strand (participates in β ladder)trans-72.8140.7177.930.1-34000111.2
179I92.3Very high88.8Confident6 Ų680 Ų803%0.03145%0.445CS..EExtended strand (participates in β ladder)trans-112.5128.5174.6-59.1172.3000107.5I155 W157 K167 G168 H170 V181 L195 F198I155-I179 HydrophobicContact CD1-CD1 3.74Å; I155-I179 HydrophobicContact CG1-CD1 3.92Å; I155-I179 HydrophobicContact CG2-CD1 3.8Å; W157-I179 HydrophobicContact CH2-CD1 4.25Å; W157-I179 HydrophobicContact CH2-CG2 4.18Å; W157-I179 HydrophobicContact CZ3-CB 4.37Å; W157-I179 HydrophobicContact CZ3-CD1 4.4Å; W157-I179 HydrophobicContact CZ3-CG2 3.89Å; K167-I179 CarbonylContact C-O 3.54Å; K167-I179 VanDerWaalsContact CA-O 3.29Å; K167-I179 WeakPolarHBondContact CA-O 3.42Å; G168-I179 PolarHBondContact N-O 3.25Å; G168-I179 PolarHBondContact O-N 2.91Å; H170-I179 HydrophobicContact CB-CD1 4.21Å; I179-V181 HydrophobicContact CG2-CG2 4.17Å; I179-L195 HydrophobicContact CD1-CD2 4.05Å; I179-L195 HydrophobicContact CG2-CD2 4.13Å; I179-F198 HydrophobicContact CD1-CD2 4.3Å; I179-F198 HydrophobicContact CD1-CE2 4.11Å; I179-F198 HydrophobicContact CG1-CE2 4.07Å; I179-F198 HydrophobicContact CG1-CZ 4.29Å
180N92.6Very high88.7Confident116 Ų11681.8 Ų81.862%0.6245%0.453SS*.EExtended strand (participates in β ladder)trans-149.6106.4172.7-176.25.5000108.7I165 L166I165-N180 WeakPolarHBondContact CG2-OD1 3.48Å; L166-N180 WeakPolarHBondContact O-CA 3.43Å
181V90.8Very high88.7Confident7 Ų781.7 Ų81.74%0.04245%0.453CS..EExtended strand (participates in β ladder)trans-129.9126.4-174.4-179.50000109.4L166 I179 I191L166-V181 HydrophobicContact CB-CB 4.4Å; L166-V181 PolarHBondContact N-O 3.37Å; L166-V181 PolarHBondContact O-N 3.02Å; I179-V181 HydrophobicContact CG2-CG2 4.17Å; V181-I191 HydrophobicContact CG1-CD1 4.16Å; V181-I191 HydrophobicContact CG1-CG1 4.01Å; V181-I191 HydrophobicContact CG1-CG2 4.42Å
182D91.9Very high88.8Confident57 Ų5779.4 Ų79.431%0.30545%0.452SS..EExtended strand (participates in β ladder)trans-81.4117.8168.3-171.5-14.4000109.2N164 S184 V185N164-D182 PolarHBondContact ND2-OD1 3.11Å; N164-D182 VanDerWaalsContact ND2-OD1 3.16Å; N164-D182 CarbonylContact O-C 3.56Å; N164-D182 WeakPolarHBondContact O-CA 3.49Å; D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 VanDerWaalsContact CG-OG 3.24Å; D182-S184 PolarHBondContact O-N 2.76Å; D182-S184 VanDerWaalsContact OD1-CB 3.32Å; D182-S184 WeakPolarHBondContact OD1-CB 3.42Å; D182-S184 PolarHBondContact OD1-N 2.99Å; D182-S184 PolarHBondContact OD1-OG 3.42Å; D182-S184 PolarHBondContact OD2-OG 3.15Å; D182-V185 HydrophobicContact CB-CG2 3.97Å
183T88.9Confident89.3Confident60 Ų6082.9 Ų82.937%0.36847%0.466SS..THydrogen-bonded Turntrans-79.4-11.1-177.865.50000112.6N164 L166 I191N164-T183 WeakPolarHBondContact CA-OG1 3.33Å; N164-T183 PolarHBondContact O-N 3.25Å; N164-T183 PolarHBondContact O-OG1 2.81Å; N164-T183 VanDerWaalsContact O-OG1 3.06Å; L166-T183 HydrophobicContact CB-CG2 3.98Å; T183-I191 HydrophobicContact CG2-CD1 4.14Å
184S90.4Very high89.9Confident84 Ų8479.9 Ų79.959%0.58744%0.441SS*.THydrogen-bonded Turntrans-77.8-23.9177.970.80000113.6D182D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 VanDerWaalsContact CG-OG 3.24Å; D182-S184 PolarHBondContact O-N 2.76Å; D182-S184 VanDerWaalsContact OD1-CB 3.32Å; D182-S184 WeakPolarHBondContact OD1-CB 3.42Å; D182-S184 PolarHBondContact OD1-N 2.99Å; D182-S184 PolarHBondContact OD1-OG 3.42Å; D182-S184 PolarHBondContact OD2-OG 3.15Å
185V90.4Very high90.6Very high108 Ų10874.7 Ų74.766%0.65541%0.413SS*.SBendtrans-105-3.2-173.2-57.80000113.8D182D182-V185 HydrophobicContact CB-CG2 3.97Å
186R88.6Confident90.9Very high96 Ų9674.1 Ų74.136%0.36240%0.401SS..SBendtrans-135.1151.2-175.1-68-177.966.1-168.3-4.3111.6D190 I191R186-D190 PolarHBondContact NH2-O 3.44Å; R186-I191 HydrophobicContact CB-CD1 3.99Å; R186-I191 HydrophobicContact CB-CG1 3.91Å
187S91.4Very high90.9Very high51 Ų5178.5 Ų78.536%0.35742%0.417SS..  trans-75.8154.2178.484.30000111.2S189 D190 I191S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.87Å; S187-S189 PolarHBondContact OG-OG 3.16Å; S187-S189 VanDerWaalsContact OG-OG 3.07Å; S187-D190 WeakPolarHBondContact CB-OD2 3.29Å; S187-D190 PolarHBondContact O-N 2.98Å; S187-D190 PolarHBondContact OG-N 3.12Å; S187-D190 PolarHBondContact OG-OD1 3.44Å; S187-D190 PolarHBondContact OG-OD2 3.24Å; S187-I191 VanDerWaalsContact O-CG1 3.31Å; S187-I191 WeakPolarHBondContact O-CG1 3.31Å; S187-I191 PolarHBondContact O-N 2.85Å
188R89.4Confident90.7Very high223 Ų22378.4 Ų78.484%0.84241%0.412SS*.Hα-helixtrans-61.6-36.6-179.6-69.9-174.1-69.3177.2-1.3112.7I191 S192R188-I191 PolarHBondContact O-N 2.95Å; R188-S192 PolarHBondContact O-N 3.2Å; R188-S192 PolarHBondContact O-OG 2.84Å
189S90.9Very high90.4Very high68 Ų6875 Ų7548%0.47639%0.389SS..Hα-helixtrans-64.4-47.2176.845.70000111.4S187 I191 S192 D193S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.87Å; S187-S189 PolarHBondContact OG-OG 3.16Å; S187-S189 VanDerWaalsContact OG-OG 3.07Å; S189-I191 PolarHBondContact O-N 3.45Å; S189-S192 PolarHBondContact O-N 3.01Å; S189-S192 VanDerWaalsContact O-N 3.11Å; S189-D193 VanDerWaalsContact O-CG 3.28Å; S189-D193 PolarHBondContact O-N 3.32Å
190D91.8Very high89.9Confident81 Ų8178.1 Ų78.143%0.43341%0.412SS..Hα-helixtrans-64.5-30.9-178-53-30.1000112.2R186 S187 Q194R186-D190 PolarHBondContact NH2-O 3.44Å; S187-D190 WeakPolarHBondContact CB-OD2 3.29Å; S187-D190 PolarHBondContact O-N 2.98Å; S187-D190 PolarHBondContact OG-N 3.12Å; S187-D190 PolarHBondContact OG-OD1 3.44Å; S187-D190 PolarHBondContact OG-OD2 3.24Å; D190-Q194 WeakPolarHBondContact O-CB 3.49Å; D190-Q194 PolarHBondContact O-N 3.45Å
191I91.5Very high89.5Confident13 Ų1378.4 Ų78.47%0.06742%0.418CS..Hα-helixtrans-73-46175.3-62.7169.3000109.7L166 V181 T183 R186 S187 R188 S189 Q194 L195L166-I191 HydrophobicContact CD2-CG2 4.06Å; V181-I191 HydrophobicContact CG1-CD1 4.16Å; V181-I191 HydrophobicContact CG1-CG1 4.01Å; V181-I191 HydrophobicContact CG1-CG2 4.42Å; T183-I191 HydrophobicContact CG2-CD1 4.14Å; R186-I191 HydrophobicContact CB-CD1 3.99Å; R186-I191 HydrophobicContact CB-CG1 3.91Å; S187-I191 VanDerWaalsContact O-CG1 3.31Å; S187-I191 WeakPolarHBondContact O-CG1 3.31Å; S187-I191 PolarHBondContact O-N 2.85Å; R188-I191 PolarHBondContact O-N 2.95Å; S189-I191 PolarHBondContact O-N 3.45Å; I191-Q194 PolarHBondContact O-N 3.04Å; I191-L195 HydrophobicContact CG2-CD1 4.06Å; I191-L195 HydrophobicContact CG2-CG 4.46Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.1Å; I191-L195 PolarHBondContact O-N 2.77Å
192S91.6Very high88.9Confident56 Ų5686.3 Ų86.339%0.39246%0.455SS..Hα-helixtrans-61.1-45.4177.7-69.60000112.4R188 S189 Q194 L195 W196R188-S192 PolarHBondContact O-N 3.2Å; R188-S192 PolarHBondContact O-OG 2.84Å; S189-S192 PolarHBondContact O-N 3.01Å; S189-S192 VanDerWaalsContact O-N 3.11Å; S192-Q194 VanDerWaalsContact C-N 3.34Å; S192-Q194 PolarHBondContact O-N 3.13Å; S192-L195 PolarHBondContact O-N 2.94Å; S192-L195 VanDerWaalsContact O-N 3.12Å; S192-W196 PolarHBondContact O-N 3.49Å
193D92.4Very high87.8Confident96 Ų9698.7 Ų98.751%0.51350%0.497SS..Hα-helixtrans-59.5-46.8179-66.9-18.9000110.5S189 L195 W196 D197S189-D193 VanDerWaalsContact O-CG 3.28Å; S189-D193 PolarHBondContact O-N 3.32Å; D193-L195 VanDerWaalsContact C-N 3.3Å; D193-L195 PolarHBondContact O-N 3.08Å; D193-W196 PolarHBondContact O-N 3.16Å; D193-W196 VanDerWaalsContact O-N 3.16Å; D193-D197 PolarHBondContact O-N 3.46Å
194Q90.1Very high87.7Confident59 Ų59100.7 Ų100.728%0.27650%0.504SS..Hα-helixtrans-60.5-37.9175.5-175.9-169.6-6.500112.9D190 I191 S192 W196 D197 F198D190-Q194 WeakPolarHBondContact O-CB 3.49Å; D190-Q194 PolarHBondContact O-N 3.45Å; I191-Q194 PolarHBondContact O-N 3.04Å; S192-Q194 VanDerWaalsContact C-N 3.34Å; S192-Q194 PolarHBondContact O-N 3.13Å; Q194-W196 VanDerWaalsContact C-N 3.33Å; Q194-D197 PolarHBondContact O-N 3.15Å; Q194-F198 WeakPolarHBondContact O-CD2 3.11Å
195L90.9Very high87.6Confident30 Ų30101.5 Ų101.516%0.15750%0.499CS..Hα-helixtrans-70.2-34.1179.1-68.5175000111.8I155 W157 L166 I179 I191 S192 D193 F198I155-L195 HydrophobicContact CD1-CD2 4.24Å; W157-L195 HydrophobicContact CH2-CD1 4Å; W157-L195 HydrophobicContact CH2-CD2 3.7Å; W157-L195 HydrophobicContact CZ2-CD1 4.12Å; W157-L195 HydrophobicContact CZ2-CD2 4.33Å; L166-L195 HydrophobicContact CD2-CD1 3.89Å; I179-L195 HydrophobicContact CD1-CD2 4.05Å; I179-L195 HydrophobicContact CG2-CD2 4.13Å; I191-L195 HydrophobicContact CG2-CD1 4.06Å; I191-L195 HydrophobicContact CG2-CG 4.46Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.1Å; I191-L195 PolarHBondContact O-N 2.77Å; S192-L195 PolarHBondContact O-N 2.94Å; S192-L195 VanDerWaalsContact O-N 3.12Å; D193-L195 VanDerWaalsContact C-N 3.3Å; D193-L195 PolarHBondContact O-N 3.08Å; L195-F198 PolarHBondContact O-N 3.47Å
196W91.2Very high87.4Confident140 Ų140101.2 Ų101.253%0.5349%0.491SS..Hα-helixtrans-72.2-28.3175.1-77.7115.8000113I152 S192 D193 Q194 F198 V199I152-W196 HydrophobicContact CG2-CH2 4.12Å; I152-W196 HydrophobicContact CG2-CZ3 3.87Å; S192-W196 PolarHBondContact O-N 3.49Å; D193-W196 PolarHBondContact O-N 3.16Å; D193-W196 VanDerWaalsContact O-N 3.16Å; Q194-W196 VanDerWaalsContact C-N 3.33Å; W196-F198 PolarHBondContact O-N 3.31Å; W196-F198 VanDerWaalsContact O-N 3.15Å; W196-V199 HydrophobicContact CE3-CB 4.19Å; W196-V199 HydrophobicContact CE3-CG2 3.78Å; W196-V199 HydrophobicContact CZ3-CG2 4.08Å; W196-V199 WeakPolarHBondContact O-CB 3.45Å; W196-V199 PolarHBondContact O-N 2.96Å
197D89.2Confident87.3Confident137 Ų137101.5 Ų101.573%0.73350%0.498SS*.THydrogen-bonded Turntrans-60-22.7173.7-70.8-23.2000113.2D193 Q194 V199D193-D197 PolarHBondContact O-N 3.46Å; Q194-D197 PolarHBondContact O-N 3.15Å; D197-V199 VanDerWaalsContact C-N 3.3Å
198F86.2Confident87.1Confident55 Ų55104.6 Ų104.624%0.24151%0.507CS..THydrogen-bonded Turntrans-73.5-22174.2-72.5-66.1000113.5H170 T177 I179 Q194 L195 W196 S200H170-F198 HydrophobicContact CB-CD1 4.39Å; H170-F198 HydrophobicContact CB-CG 4.49Å; H170-F198 PolarHBondContact CE1-O 3.49Å; H170-F198 AromaticContact ND1-CD1 3.81Å; H170-F198 PolarHBondContact NE2-O 3.38Å; T177-F198 HydrophobicContact CG2-CE1 3.86Å; T177-F198 HydrophobicContact CG2-CZ 4.37Å; I179-F198 HydrophobicContact CD1-CD2 4.3Å; I179-F198 HydrophobicContact CD1-CE2 4.11Å; I179-F198 HydrophobicContact CG1-CE2 4.07Å; I179-F198 HydrophobicContact CG1-CZ 4.29Å; Q194-F198 WeakPolarHBondContact O-CD2 3.11Å; L195-F198 PolarHBondContact O-N 3.47Å; W196-F198 PolarHBondContact O-N 3.31Å; W196-F198 VanDerWaalsContact O-N 3.15Å; F198-S200 PolarHBondContact O-N 3.16Å
199V86.6Confident86.9Confident31 Ų3196.7 Ų96.719%0.18849%0.485CS..SBendtrans-84.5117.4-176.3-174.60000108.9T153 W196 D197 T201T153-V199 HydrophobicContact CG2-CG2 4.47Å; W196-V199 HydrophobicContact CE3-CB 4.19Å; W196-V199 HydrophobicContact CE3-CG2 3.78Å; W196-V199 HydrophobicContact CZ3-CG2 4.08Å; W196-V199 WeakPolarHBondContact O-CB 3.45Å; W196-V199 PolarHBondContact O-N 2.96Å; D197-V199 VanDerWaalsContact C-N 3.3Å; V199-T201 PolarHBondContact O-N 3.38Å
200S81.8Confident86.7Confident73 Ų7398.8 Ų98.851%0.5149%0.485SS..  trans-62.2132.4177.5-1770000111F198 E202F198-S200 PolarHBondContact O-N 3.16Å; S200-E202 PolarHBondContact OG-N 3.28Å
201T83.4Confident86.3Confident121 Ų121100.2 Ų100.274%0.74249%0.489SS*.  trans-97.58.4174.459.40000112.7V199V199-T201 PolarHBondContact O-N 3.38Å
202E78.6Confident85.8Confident174 Ų174107.4 Ų107.481%0.81353%0.525SS*.  trans-78.7132.9175.8-59.6-174162.800110S200S200-E202 PolarHBondContact OG-N 3.28Å
203W67.7Low85.3Confident317 Ų317112.1 Ų112.1100%1.20154%0.537SS*.  trans-115.80-175.5-67.789.9000112.3

Retrieved 203 of 203 residues in 111.5 ms (Link to these results)