A0A2K5L711_CERAT Loading...

RISC-loading complex subunit TARBP2

Required for formation of the RNA induced silencing complex (RISC). Component of the RISC loading complex (RLC), also known as the micro-RNA (miRNA) loading complex (miRLC), which is composed of DICER1, AGO2 and TARBP2. Within the RLC/miRLC, DICER1 and TARBP2 are required to process precursor miRNAs (pre-miRNAs) to mature miRNAs and then load them onto AGO2. AGO2 bound to the mature miRNA constitutes the minimal RISC and may subsequently dissociate from DICER1 and TARBP2. May also play a role in the production of short interfering RNAs (siRNAs) from double-stranded RNA (dsRNA) by DICER1. Binds in vitro to the PRM1 3'-UTR. Seems to act as a repressor of translation. For some pre-miRNA substrates, may also alter the choice of cleavage site by DICER1. Negatively regulates IRF7-mediated IFN-beta signaling triggered by viral infection by inhibiting the phosphorylation of IRF7 and promoting its 'Lys'-48-linked ubiquitination and degradation.

AlphaFold DB , UniProt , Accession A0A2K5L711, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TARBP2, Length 366 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
1M37.4Very low36Very low234 Ų234149.9 Ų149.9100%1.15385%0.851SS**  0112.60-60.1-177.679.700104.9
2S37.9Very low36Very low93 Ų93147.3 Ų147.365%0.6584%0.841SS**  cis-158.514014.2-57.90000106
3E40.8Very low36Very low185 Ų185141.7 Ų141.786%0.86484%0.835SS**  48.3110.6116.2-59.9-174.8134.900115.5
4E37.4Very low36.1Very low204 Ų204140.3 Ų140.395%0.95383%0.834SS**  trans-141.3123.6139.1-78.3-161.6137.500109.8
5E36.2Very low36.9Very low194 Ų194135.3 Ų135.391%0.90782%0.823SS**  trans-72.7151.1-174.6-97.5-173.6103.600113.9
6Q37.7Very low37.8Very low193 Ų193133.9 Ų133.990%0.90281%0.809SS**  trans-73.3125.1162.5-70.1169.122.600110.2
7G30.8Very low39.1Very low81 Ų81128.3 Ų128.384%0.83578%0.776SS**  trans-130.786.1166.900000110.7
8S34.8Very low41.1Very low113 Ų113124.4 Ų124.479%0.7976%0.755SS**  trans-10595164.1-170.30000108.4I10S8-I10 PolarHBondContact O-N 2.97Å
9G30.1Very low42.9Very low70 Ų70118.6 Ų118.672%0.72272%0.72SS**  trans-70.6109.8172.400000110.2T11G9-T11 PolarHBondContact O-N 3.07Å
10I35.2Very low44.7Very low143 Ų143118.8 Ų118.873%0.73371%0.712SS**  trans-83.2101164.9-62.1174.6000107.3S8 T12S8-I10 PolarHBondContact O-N 2.97Å; I10-T12 PolarHBondContact O-N 2.8Å; I10-T12 VanDerWaalsContact O-N 3.11Å
11T37.3Very low46.2Very low139 Ų139118.9 Ų118.985%0.85371%0.705SS**  trans-72.389.9166.446.20000109.2G9 G13G9-T11 PolarHBondContact O-N 3.07Å; T11-G13 PolarHBondContact O-N 2.98Å
12T36.6Very low48Very low119 Ų119108.3 Ų108.373%0.7365%0.653SS**  trans-87.397.2163.9-45.20000108.5I10 C14I10-T12 PolarHBondContact O-N 2.8Å; I10-T12 VanDerWaalsContact O-N 3.11Å; T12-C14 PolarHBondContact O-N 3.03Å; T12-C14 VanDerWaalsContact O-N 3.11Å
13G35.5Very low49.7Very low74 Ų74105.6 Ų105.676%0.76363%0.631SS**  trans-55.3113.5170.200000110.2T11 G15T11-G13 PolarHBondContact O-N 2.98Å; G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G15 PolarHBondContact O-N 3.38Å
14C37.9Very low51.2Low122 Ų122100.6 Ų100.682%0.82462%0.622SS**  trans-80.383.2178-161.90000109.1T12 L16T12-C14 PolarHBondContact O-N 3.03Å; T12-C14 VanDerWaalsContact O-N 3.11Å; C14-L16 PolarHBondContact O-N 3.03Å
15G48.1Very low53Low65 Ų6594.3 Ų94.367%0.6760%0.604SS**PPolyproline II helixtrans-66.8122.9162.200000108.6G13G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G15 PolarHBondContact O-N 3.38Å
16L50.9Low54.9Low114 Ų11487.6 Ų87.660%0.59757%0.574SS**PPolyproline II helixtrans-55.5123.6174.1-76.1166.9000108.5C14 S18 R41C14-L16 PolarHBondContact O-N 3.03Å; L16-S18 PolarHBondContact O-N 2.76Å; L16-R41 HydrophobicContact CD2-CB 4.22Å
17P61.1Low56.4Low38 Ų3884.3 Ų84.325%0.24757%0.57CS.*PPolyproline II helixtrans-61.1135.217724.3-31.6000108.7Q21 M22P17-Q21 HydrophobicContact CB-CB 4.46Å; P17-M22 HydrophobicContact CB-CG 4.26Å; P17-M22 HydrophobicContact CG-CG 4.03Å; P17-M22 HydrophobicContact CG-SD 4.26Å
18S74Confident58.6Low58 Ų5883.8 Ų83.841%0.40657%0.565SS.*PPolyproline II helixtrans-55.9143.5175.7176.20000109.4L16 E20 Q21 M22L16-S18 PolarHBondContact O-N 2.76Å; S18-E20 PolarHBondContact O-N 2.91Å; S18-Q21 WeakPolarHBondContact O-CA 3.49Å; S18-Q21 WeakPolarHBondContact O-CB 3.21Å; S18-Q21 PolarHBondContact O-N 3Å; S18-M22 PolarHBondContact O-N 2.88Å; S18-M22 VanDerWaalsContact O-N 3.16Å
19I75.9Confident60.9Low14 Ų1482.1 Ų82.17%0.07254%0.543CS..Hα-helixtrans-53.8-29.7178.7-169.4168.6000111.7M22 L23 Y38 L92 L95 K96I19-M22 PolarHBondContact O-N 3.11Å; I19-L23 HydrophobicContact CG1-CD1 4.17Å; I19-L23 WeakPolarHBondContact O-CD1 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.32Å; I19-L23 PolarHBondContact O-N 2.67Å; I19-Y38 HydrophobicContact CB-CD2 4.21Å; I19-Y38 HydrophobicContact CB-CE2 3.9Å; I19-Y38 HydrophobicContact CD1-CD1 4.3Å; I19-Y38 HydrophobicContact CD1-CD2 4.15Å; I19-Y38 HydrophobicContact CD1-CE1 4.2Å; I19-Y38 HydrophobicContact CD1-CE2 4.07Å; I19-Y38 HydrophobicContact CD1-CG 4.27Å; I19-Y38 HydrophobicContact CG1-CD2 4.06Å; I19-Y38 HydrophobicContact CG1-CE2 4.13Å; I19-L92 HydrophobicContact CD1-CD2 3.94Å; I19-L92 HydrophobicContact CG1-CD2 4.49Å; I19-L95 HydrophobicContact CD1-CB 3.53Å; I19-K96 HydrophobicContact CG2-CB 4.32Å; I19-K96 HydrophobicContact CG2-CG 3.7Å
20E77.8Confident63.7Low122 Ų12281.8 Ų81.857%0.5753%0.527SS*.Hα-helixtrans-66.1-41.6173.4-62-163.714800112.9S18 M22 L23 A24 K96S18-E20 PolarHBondContact O-N 2.91Å; E20-M22 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.42Å; E20-L23 PolarHBondContact O-N 3.37Å; E20-A24 WeakPolarHBondContact O-CB 3.48Å; E20-A24 PolarHBondContact O-N 3.37Å; E20-K96 HydrophobicContact CG-CG 4.49Å
21Q77.3Confident66.4Low121 Ų12176 Ų7657%0.56550%0.499SS*.Hα-helixtrans-65.2-38.6176.9-67.9172.2-17.500111.2P17 S18 L23 A24 A25P17-Q21 HydrophobicContact CB-CB 4.46Å; S18-Q21 WeakPolarHBondContact O-CA 3.49Å; S18-Q21 WeakPolarHBondContact O-CB 3.21Å; S18-Q21 PolarHBondContact O-N 3Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 2.81Å; Q21-A24 PolarHBondContact O-N 2.77Å; Q21-A25 WeakPolarHBondContact O-CB 3.44Å; Q21-A25 PolarHBondContact O-N 3.27Å
22M74.1Confident69Low12 Ų1271.2 Ų71.26%0.05947%0.468CS..Hα-helixtrans-65.8-37.6177.2-70.9-173.86300112.7P17 S18 I19 E20 N26 E37 Y38P17-M22 HydrophobicContact CB-CG 4.26Å; P17-M22 HydrophobicContact CG-CG 4.03Å; P17-M22 HydrophobicContact CG-SD 4.26Å; S18-M22 PolarHBondContact O-N 2.88Å; S18-M22 VanDerWaalsContact O-N 3.16Å; I19-M22 PolarHBondContact O-N 3.11Å; E20-M22 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.42Å; M22-N26 PolarHBondContact O-N 3.48Å; M22-N26 PolarHBondContact O-ND2 3.35Å; M22-E37 HydrophobicContact CE-CB 4.04Å; M22-E37 HydrophobicContact CE-CG 3.72Å; M22-E37 WeakPolarHBondContact CE-OE1 3.47Å; M22-Y38 HydrophobicContact SD-CD2 4.26Å
23L74.3Confident71.5Confident37 Ų3768 Ų6819%0.19445%0.45CS..Hα-helixtrans-73.6-37.3178.1-69166.6000112I19 E20 Q21 L34 L92 K96I19-L23 HydrophobicContact CG1-CD1 4.17Å; I19-L23 WeakPolarHBondContact O-CD1 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.32Å; I19-L23 PolarHBondContact O-N 2.67Å; E20-L23 PolarHBondContact O-N 3.37Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 2.81Å; L23-L34 HydrophobicContact CD2-CB 4.15Å; L23-L34 HydrophobicContact CD2-CD1 3.5Å; L23-L34 HydrophobicContact CD2-CD2 4.18Å; L23-L34 HydrophobicContact CD2-CG 4.13Å; L23-L92 HydrophobicContact CD2-CD1 4.23Å; L23-K96 HydrophobicContact CD1-CD 4.28Å
24A73.4Confident74.2Confident80 Ų8065.1 Ų65.166%0.66142%0.417SS*.Hα-helixtrans-68.9-36.3173.500000112.5E20 Q21 N26E20-A24 WeakPolarHBondContact O-CB 3.48Å; E20-A24 PolarHBondContact O-N 3.37Å; Q21-A24 PolarHBondContact O-N 2.77Å; A24-N26 VanDerWaalsContact C-N 3.29Å; A24-N26 PolarHBondContact O-N 2.74Å
25A74.4Confident76.7Confident71 Ų7159.3 Ų59.359%0.58738%0.378SS*.Hα-helixtrans-72.9-16-17900000114Q21Q21-A25 WeakPolarHBondContact O-CB 3.44Å; Q21-A25 PolarHBondContact O-N 3.27Å
26N75.2Confident78.8Confident53 Ų5360 Ų6028%0.28336%0.364SS..  trans-143.364.3-174.1-63.7-90.6000113.6M22 A24 G28 K29 L34M22-N26 PolarHBondContact O-N 3.48Å; M22-N26 PolarHBondContact O-ND2 3.35Å; A24-N26 VanDerWaalsContact C-N 3.29Å; A24-N26 PolarHBondContact O-N 2.74Å; N26-G28 PolarHBondContact O-N 3.37Å; N26-K29 HydrophobicContact CB-CB 4.43Å; N26-K29 HydrophobicContact CB-CD 3.8Å; N26-K29 HydrophobicContact CB-CG 4.07Å; N26-K29 PolarHBondContact O-N 3.42Å; N26-K29 WeakPolarHBondContact OD1-CE 3.49Å; N26-K29 PolarHBondContact OD1-NZ 2.88Å; N26-L34 HydrophobicContact CB-CD2 4.29Å
27P70.6Confident80.7Confident124 Ų12456.7 Ų56.781%0.80535%0.345SS*.THydrogen-bonded Turntrans-64.9-12.1-177.326.5-34.9000114.4
28G75.7Confident81.9Confident71 Ų7157 Ų5773%0.73234%0.342SS*.THydrogen-bonded Turntrans-93.3-7.3179.400000115.9N26N26-G28 PolarHBondContact O-N 3.37Å
29K83.6Confident82.7Confident78 Ų7854.2 Ų54.234%0.33932%0.322SS..SBendtrans-84.3148.7-179.1-73.1-178.6-179.2169.60110.8N26 L34 E37N26-K29 HydrophobicContact CB-CB 4.43Å; N26-K29 HydrophobicContact CB-CD 3.8Å; N26-K29 HydrophobicContact CB-CG 4.07Å; N26-K29 PolarHBondContact O-N 3.42Å; N26-K29 WeakPolarHBondContact OD1-CE 3.49Å; N26-K29 PolarHBondContact OD1-NZ 2.88Å; K29-L34 HydrophobicContact CB-CD1 4.13Å; K29-L34 HydrophobicContact CB-CD2 4.1Å; K29-L34 HydrophobicContact CB-CG 3.85Å; K29-L34 HydrophobicContact CD-CD2 4.19Å; K29-E37 IonicContact NZ-OE2 2.74Å; K29-E37 PolarHBondContact NZ-OE2 2.84Å
30T89.4Confident83.3Confident62 Ų6257.3 Ų57.338%0.3834%0.342SS..  trans-70.4147.9174.666.80000110.8I32 S33 L34T30-I32 PolarHBondContact O-N 3.29Å; T30-I32 VanDerWaalsContact O-N 3.12Å; T30-S33 WeakPolarHBondContact O-CA 3.43Å; T30-S33 WeakPolarHBondContact O-CB 2.84Å; T30-S33 PolarHBondContact O-N 2.82Å; T30-S33 PolarHBondContact OG1-N 2.92Å; T30-L34 PolarHBondContact O-N 2.88Å
31P90.7Very high83.7Confident21 Ų2157.3 Ų57.314%0.13634%0.337CS..Hα-helixtrans-51.3-34.3173.6-29.137.3000113.3L34 L35 H85 A88 E89 L92P31-L34 PolarHBondContact O-N 3.19Å; P31-L35 VanDerWaalsContact O-CB 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 PolarHBondContact O-N 2.92Å; P31-H85 WeakPolarHBondContact CD-CE1 3.5Å; P31-H85 WeakPolarHBondContact CG-NE2 3.34Å; P31-A88 HydrophobicContact CB-CB 4.11Å; P31-E89 HydrophobicContact CB-CB 4.39Å; P31-L92 HydrophobicContact CB-CD1 3.94Å
32I91.9Very high84.1Confident40 Ų4054 Ų5421%0.20532%0.323CS..Hα-helixtrans-62-48.6175.2-54.1173.4000110.5T30 L34 L35 Q36 Y48 K84 H85 A88T30-I32 PolarHBondContact O-N 3.29Å; T30-I32 VanDerWaalsContact O-N 3.12Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.48Å; I32-L35 PolarHBondContact O-N 3.38Å; I32-Q36 WeakPolarHBondContact O-CB 3.45Å; I32-Q36 PolarHBondContact O-N 3.23Å; I32-Y48 HydrophobicContact CG2-CE2 4.36Å; I32-K84 HydrophobicContact CD1-CB 3.96Å; I32-H85 HydrophobicContact CD1-CB 4.12Å; I32-H85 HydrophobicContact CG1-CB 4.37Å; I32-A88 HydrophobicContact CG1-CB 4.02Å
33S90.9Very high84.7Confident52 Ų5256.6 Ų56.636%0.36435%0.353SS..Hα-helixtrans-65.4-38.2179-177.10000112.3T30 E37T30-S33 WeakPolarHBondContact O-CA 3.43Å; T30-S33 WeakPolarHBondContact O-CB 2.84Å; T30-S33 PolarHBondContact O-N 2.82Å; T30-S33 PolarHBondContact OG1-N 2.92Å; S33-E37 WeakPolarHBondContact O-CB 3.42Å; S33-E37 PolarHBondContact O-N 3.11Å
34L90.3Very high85.3Confident13 Ų1359.1 Ų59.17%0.06836%0.362CS..Hα-helixtrans-68.6-43.8179.1-72.7158.4000111.2L23 N26 K29 T30 P31 I32 Q36 E37 Y38 L92L23-L34 HydrophobicContact CD2-CB 4.15Å; L23-L34 HydrophobicContact CD2-CD1 3.5Å; L23-L34 HydrophobicContact CD2-CD2 4.18Å; L23-L34 HydrophobicContact CD2-CG 4.13Å; N26-L34 HydrophobicContact CB-CD2 4.29Å; K29-L34 HydrophobicContact CB-CD1 4.13Å; K29-L34 HydrophobicContact CB-CD2 4.1Å; K29-L34 HydrophobicContact CB-CG 3.85Å; K29-L34 HydrophobicContact CD-CD2 4.19Å; T30-L34 PolarHBondContact O-N 2.88Å; P31-L34 PolarHBondContact O-N 3.19Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.48Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-E37 PolarHBondContact O-N 3.39Å; L34-Y38 WeakPolarHBondContact O-CB 3.45Å; L34-Y38 PolarHBondContact O-N 3.12Å; L34-L92 HydrophobicContact CB-CD1 4.15Å
35L90.9Very high86.1Confident0 Ų059.1 Ų59.10%035%0.354CS..Hα-helixtrans-65.8-37.6176.2-169.567.9000111.8P31 I32 G39 P46 V66 V68 A88 A91 L92 L95P31-L35 VanDerWaalsContact O-CB 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 PolarHBondContact O-N 2.92Å; I32-L35 PolarHBondContact O-N 3.38Å; L35-G39 PolarHBondContact O-N 2.97Å; L35-P46 HydrophobicContact CD2-CB 4.06Å; L35-P46 HydrophobicContact CG-CB 4.15Å; L35-P46 HydrophobicContact CG-CG 4.34Å; L35-V66 HydrophobicContact CD2-CG1 4.47Å; L35-V66 HydrophobicContact CD2-CG2 3.73Å; L35-V68 HydrophobicContact CD1-CG2 4.08Å; L35-V68 HydrophobicContact CD2-CG2 3.98Å; L35-V68 HydrophobicContact CG-CG2 4.16Å; L35-A88 HydrophobicContact CD2-CB 3.97Å; L35-A91 HydrophobicContact CD1-CB 4.22Å; L35-A91 HydrophobicContact CD2-CB 3.86Å; L35-L92 HydrophobicContact CB-CD1 4.5Å; L35-L92 HydrophobicContact CB-CD2 4.04Å; L35-L92 HydrophobicContact CB-CG 4.16Å; L35-L92 HydrophobicContact CD1-CD2 3.58Å; L35-L92 HydrophobicContact CD1-CG 3.91Å; L35-L92 HydrophobicContact CG-CD2 4.44Å; L35-L95 HydrophobicContact CD1-CD1 3.5Å; L35-L95 VanDerWaalsContact CD1-CD1 3.5Å
36Q92.2Very high87.1Confident79 Ų7956.3 Ų56.337%0.36933%0.33SS..Hα-helixtrans-61.8-49.5173.6-174.366.843.200111.6I32 L34 G39 T40 P46I32-Q36 WeakPolarHBondContact O-CB 3.45Å; I32-Q36 PolarHBondContact O-N 3.23Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; Q36-G39 PolarHBondContact O-N 3.38Å; Q36-T40 WeakPolarHBondContact O-CG2 3.2Å; Q36-T40 PolarHBondContact O-N 3.31Å; Q36-T40 PolarHBondContact O-OG1 2.62Å; Q36-P46 HydrophobicContact CB-CG 4.42Å
37E90.3Very high88Confident45 Ų4557.5 Ų57.521%0.2134%0.339CS..Hα-helixtrans-61.7-45.5179.2-167.3-176.1149.800111.1M22 K29 S33 L34 T40 R41M22-E37 HydrophobicContact CE-CB 4.04Å; M22-E37 HydrophobicContact CE-CG 3.72Å; M22-E37 WeakPolarHBondContact CE-OE1 3.47Å; K29-E37 IonicContact NZ-OE2 2.74Å; K29-E37 PolarHBondContact NZ-OE2 2.84Å; S33-E37 WeakPolarHBondContact O-CB 3.42Å; S33-E37 PolarHBondContact O-N 3.11Å; L34-E37 PolarHBondContact O-N 3.39Å; E37-T40 WeakPolarHBondContact CA-OG1 3.36Å; E37-T40 PolarHBondContact O-N 2.96Å; E37-T40 PolarHBondContact O-OG1 3.05Å; E37-R41 WeakPolarHBondContact O-CG 3.43Å; E37-R41 PolarHBondContact O-N 3.38Å; E37-R41 IonicContact OE1-CZ 3.69Å; E37-R41 IonicContact OE1-NE 2.74Å; E37-R41 IonicContact OE1-NH2 2.88Å; E37-R41 PolarHBondContact OE1-NH2 3.45Å
38Y88Confident89.2Confident43 Ų4353.6 Ų53.617%0.16931%0.308CS..Hα-helixtrans-59.3-51.3175.4179.5-101.2000111.2I19 M22 L34 T40 R41 I42 L95I19-Y38 HydrophobicContact CB-CD2 4.21Å; I19-Y38 HydrophobicContact CB-CE2 3.9Å; I19-Y38 HydrophobicContact CD1-CD1 4.3Å; I19-Y38 HydrophobicContact CD1-CD2 4.15Å; I19-Y38 HydrophobicContact CD1-CE1 4.2Å; I19-Y38 HydrophobicContact CD1-CE2 4.07Å; I19-Y38 HydrophobicContact CD1-CG 4.27Å; I19-Y38 HydrophobicContact CG1-CD2 4.06Å; I19-Y38 HydrophobicContact CG1-CE2 4.13Å; M22-Y38 HydrophobicContact SD-CD2 4.26Å; L34-Y38 WeakPolarHBondContact O-CB 3.45Å; L34-Y38 PolarHBondContact O-N 3.12Å; Y38-T40 VanDerWaalsContact C-N 3.3Å; Y38-T40 PolarHBondContact O-N 3.28Å; Y38-R41 WeakPolarHBondContact O-CB 3.43Å; Y38-R41 PolarHBondContact O-N 2.92Å; Y38-I42 HydrophobicContact CD1-CD1 3.93Å; Y38-I42 HydrophobicContact CD1-CG1 4.32Å; Y38-I42 HydrophobicContact CE1-CD1 3.43Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.43Å; Y38-I42 HydrophobicContact CE1-CG1 4.15Å; Y38-I42 HydrophobicContact CE1-CG2 4.17Å; Y38-I42 HydrophobicContact CE2-CG2 4.01Å; Y38-I42 WeakPolarHBondContact O-CG1 3.34Å; Y38-I42 PolarHBondContact O-N 3.38Å; Y38-L95 HydrophobicContact CD1-CD1 4.02Å; Y38-L95 HydrophobicContact CE1-CB 4.35Å; Y38-L95 HydrophobicContact CE1-CD1 3.83Å; Y38-L95 HydrophobicContact CE1-CD2 4.16Å; Y38-L95 HydrophobicContact CE1-CG 4.34Å
39G89.3Confident90.3Very high0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-57.1-39.8178.900000113.5L35 Q36 R41 I42 G43 K44L35-G39 PolarHBondContact O-N 2.97Å; Q36-G39 PolarHBondContact O-N 3.38Å; G39-R41 VanDerWaalsContact C-N 3.33Å; G39-R41 PolarHBondContact O-N 2.92Å; G39-I42 PolarHBondContact O-N 3.37Å; G39-G43 CarbonylContact O-C 3.59Å; G39-G43 PolarHBondContact O-N 2.87Å; G39-G43 VanDerWaalsContact O-N 3.08Å; G39-K44 CarbonylContact C-O 3.47Å; G39-K44 WeakPolarHBondContact CA-O 3.49Å; G39-K44 CarbonylContact O-C 3.54Å; G39-K44 PolarHBondContact O-N 2.87Å
40T89.1Confident90.9Very high80 Ų8052.9 Ų52.949%0.49129%0.291SS..Hα-helixtrans-66-32.5174.849.90000113.3Q36 E37 Y38 T45Q36-T40 WeakPolarHBondContact O-CG2 3.2Å; Q36-T40 PolarHBondContact O-N 3.31Å; Q36-T40 PolarHBondContact O-OG1 2.62Å; E37-T40 WeakPolarHBondContact CA-OG1 3.36Å; E37-T40 PolarHBondContact O-N 2.96Å; E37-T40 PolarHBondContact O-OG1 3.05Å; Y38-T40 VanDerWaalsContact C-N 3.3Å; Y38-T40 PolarHBondContact O-N 3.28Å; T40-T45 HydrophobicContact CG2-CG2 4.02Å
41R85.8Confident91.2Very high121 Ų12154 Ų5446%0.45729%0.294SS..Hα-helixtrans-75.7-35.1177.7-68.8-176.1-171.7-136.78.6112.8L16 E37 Y38 G39 G43L16-R41 HydrophobicContact CD2-CB 4.22Å; E37-R41 WeakPolarHBondContact O-CG 3.43Å; E37-R41 PolarHBondContact O-N 3.38Å; E37-R41 IonicContact OE1-CZ 3.69Å; E37-R41 IonicContact OE1-NE 2.74Å; E37-R41 IonicContact OE1-NH2 2.88Å; E37-R41 PolarHBondContact OE1-NH2 3.45Å; Y38-R41 WeakPolarHBondContact O-CB 3.43Å; Y38-R41 PolarHBondContact O-N 2.92Å; G39-R41 VanDerWaalsContact C-N 3.33Å; G39-R41 PolarHBondContact O-N 2.92Å; R41-G43 VanDerWaalsContact C-N 3.33Å
42I85.3Confident91.4Very high52 Ų5257.8 Ų57.827%0.26731%0.308SS..THydrogen-bonded Turntrans-88.52.2177.964.1161.8000113.4Y38 G39 K44 V68Y38-I42 HydrophobicContact CD1-CD1 3.93Å; Y38-I42 HydrophobicContact CD1-CG1 4.32Å; Y38-I42 HydrophobicContact CE1-CD1 3.43Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.43Å; Y38-I42 HydrophobicContact CE1-CG1 4.15Å; Y38-I42 HydrophobicContact CE1-CG2 4.17Å; Y38-I42 HydrophobicContact CE2-CG2 4.01Å; Y38-I42 WeakPolarHBondContact O-CG1 3.34Å; Y38-I42 PolarHBondContact O-N 3.38Å; G39-I42 PolarHBondContact O-N 3.37Å; I42-K44 HydrophobicContact CD1-CB 3.76Å; I42-K44 HydrophobicContact CD1-CD 4.17Å; I42-K44 HydrophobicContact CD1-CG 4.36Å; I42-K44 HydrophobicContact CG1-CB 3.95Å; I42-K44 PolarHBondContact O-N 3.38Å; I42-V68 HydrophobicContact CD1-CG1 4.27Å
43G86.8Confident91.5Very high67 Ų6759 Ų5969%0.69132%0.324SS*.THydrogen-bonded Turntrans68.311.6-177.100000114.9G39 R41G39-G43 CarbonylContact O-C 3.59Å; G39-G43 PolarHBondContact O-N 2.87Å; G39-G43 VanDerWaalsContact O-N 3.08Å; R41-G43 VanDerWaalsContact C-N 3.33Å
44K88.3Confident91.6Very high90 Ų9060.2 Ų60.239%0.39132%0.324SS..  trans-118.881.1-179.5-67.6174.8161.7-165.20108.8G39 I42 V68 D70G39-K44 CarbonylContact C-O 3.47Å; G39-K44 WeakPolarHBondContact CA-O 3.49Å; G39-K44 CarbonylContact O-C 3.54Å; G39-K44 PolarHBondContact O-N 2.87Å; I42-K44 HydrophobicContact CD1-CB 3.76Å; I42-K44 HydrophobicContact CD1-CD 4.17Å; I42-K44 HydrophobicContact CD1-CG 4.36Å; I42-K44 HydrophobicContact CG1-CB 3.95Å; I42-K44 PolarHBondContact O-N 3.38Å; K44-V68 HydrophobicContact CB-CG1 4.39Å; K44-D70 IonicContact NZ-OD2 2.78Å; K44-D70 PolarHBondContact NZ-OD2 3.05Å
45T90.6Very high91.6Very high80 Ų8062.3 Ų62.349%0.49135%0.349SS..PPolyproline II helixtrans-67.6136.8-177.548.70000111.6T40 V47T40-T45 HydrophobicContact CG2-CG2 4.02Å; T45-V47 PolarHBondContact O-N 3.44Å
46P93.9Very high91.5Very high11 Ų1168.3 Ų68.37%0.07138%0.377CS..PPolyproline II helixtrans-70.8126.9-178.527.5-34.2000111.9L35 Q36 Y48 V66 T67 V68L35-P46 HydrophobicContact CD2-CB 4.06Å; L35-P46 HydrophobicContact CG-CB 4.15Å; L35-P46 HydrophobicContact CG-CG 4.34Å; Q36-P46 HydrophobicContact CB-CG 4.42Å; P46-Y48 HydrophobicContact CB-CE2 4.05Å; P46-Y48 HydrophobicContact CG-CE2 4.31Å; P46-V66 HydrophobicContact CB-CG2 3.86Å; P46-T67 CarbonylContact C-O 3.02Å; P46-T67 WeakPolarHBondContact CA-O 3.41Å; P46-V68 HydrophobicContact CB-CG2 3.78Å
47V95.4Very high91.1Very high79 Ų7969.8 Ų69.848%0.47940%0.402SS..EExtended strand (participates in β ladder)trans-101.6133.1173.9-178.50000109.4T45 V66 T67T45-V47 PolarHBondContact O-N 3.44Å; V47-V66 CarbonylContact O-C 3.34Å; V47-V66 VanDerWaalsContact O-CA 3.25Å; V47-V66 WeakPolarHBondContact O-CA 3.46Å; V47-T67 PolarHBondContact N-O 3.44Å; V47-T67 PolarHBondContact O-N 3.08Å
48Y96.1Very high90.7Very high42 Ų4272.3 Ų72.317%0.16541%0.414CS..EExtended strand (participates in β ladder)trans-114.3114.8-178.9-70.3-90.3000112I32 P46 R65 V66 K84 A88I32-Y48 HydrophobicContact CG2-CE2 4.36Å; P46-Y48 HydrophobicContact CB-CE2 4.05Å; P46-Y48 HydrophobicContact CG-CE2 4.31Å; Y48-R65 CarbonylContact C-O 3.01Å; Y48-R65 VanDerWaalsContact CA-O 3.31Å; Y48-R65 WeakPolarHBondContact CA-O 3.44Å; Y48-V66 HydrophobicContact CD1-CB 3.84Å; Y48-V66 HydrophobicContact CD1-CG2 3.91Å; Y48-V66 HydrophobicContact CD2-CG2 4.42Å; Y48-V66 HydrophobicContact CE1-CB 3.66Å; Y48-V66 HydrophobicContact CE1-CG2 3.52Å; Y48-V66 HydrophobicContact CE2-CG2 4.08Å; Y48-V66 HydrophobicContact CG-CG2 4.35Å; Y48-K84 HydrophobicContact CD1-CB 4.21Å; Y48-K84 HydrophobicContact CD1-CD 4.32Å; Y48-K84 HydrophobicContact CD1-CG 3.92Å; Y48-K84 HydrophobicContact CE1-CB 4.23Å; Y48-K84 HydrophobicContact CE1-CG 4.44Å; Y48-K84 HydrophobicContact CG-CD 4.42Å; Y48-K84 HydrophobicContact CG-CG 4.47Å; Y48-A88 HydrophobicContact CE1-CB 4.37Å; Y48-A88 WeakPolarHBondContact OH-CB 3.26Å
49D96.8Very high90.6Very high56 Ų5677.2 Ų77.230%0.29944%0.438SS..EExtended strand (participates in β ladder)trans-105.3133.3177.3-58.4-32.4000110.8L51 F64 R65D49-L51 PolarHBondContact O-N 3.29Å; D49-F64 CarbonylContact O-C 3.59Å; D49-F64 VanDerWaalsContact O-CA 3.31Å; D49-F64 WeakPolarHBondContact O-CA 3.11Å; D49-F64 VanDerWaalsContact O-CD1 3.27Å; D49-F64 WeakPolarHBondContact O-CD1 3.38Å; D49-R65 HydrophobicContact CB-CB 4.49Å; D49-R65 PolarHBondContact N-O 3.27Å; D49-R65 PolarHBondContact O-N 2.93Å; D49-R65 IonicContact OD2-CZ 2.82Å; D49-R65 IonicContact OD2-NE 2.8Å; D49-R65 IonicContact OD2-NH2 3.8Å; D49-R65 PolarHBondContact OD2-NH2 3.43Å
50L96.9Very high90.7Very high77 Ų7779.3 Ų79.340%0.40345%0.452SS..EExtended strand (participates in β ladder)trans-80.9108.3168.6176.765.3000108.3K52 A53 F62 F64L50-K52 WeakPolarHBondContact CD1-O 3.44Å; L50-A53 HydrophobicContact CD2-CB 4.4Å; L50-F62 HydrophobicContact CD1-CB 4.49Å; L50-F62 HydrophobicContact CD1-CD1 4.23Å; L50-F64 HydrophobicContact CB-CD1 4.44Å; L50-F64 HydrophobicContact CB-CE1 3.8Å; L50-F64 HydrophobicContact CB-CE2 4.33Å; L50-F64 HydrophobicContact CB-CZ 3.75Å; L50-F64 HydrophobicContact CD1-CD2 3.92Å; L50-F64 HydrophobicContact CD1-CE1 4.43Å; L50-F64 HydrophobicContact CD1-CE2 3.43Å; L50-F64 VanDerWaalsContact CD1-CE2 3.43Å; L50-F64 HydrophobicContact CD1-CZ 3.73Å; L50-F64 HydrophobicContact CG-CE2 4.41Å; L50-F64 HydrophobicContact CG-CZ 4.24Å
51L96.3Very high91Very high85 Ų8577.7 Ų77.745%0.44544%0.44SS..EExtended strand (participates in β ladder)trans-84.1-43.5179-65.6-176.1000112D49 T63 R65 T74D49-L51 PolarHBondContact O-N 3.29Å; L51-T63 HydrophobicContact CB-CG2 4.3Å; L51-T63 HydrophobicContact CD1-CG2 4.37Å; L51-T63 PolarHBondContact N-O 3.18Å; L51-R65 HydrophobicContact CD1-CB 3.76Å; L51-R65 HydrophobicContact CD2-CB 4.3Å; L51-R65 HydrophobicContact CG-CB 3.9Å; L51-T74 HydrophobicContact CD1-CG2 3.91Å
52K94.2Very high91.5Very high102 Ų10273.6 Ų73.644%0.44343%0.426SS..EExtended strand (participates in β ladder)trans-143.3136.1-172.4-151.5173.5-172.9-158.50110.9L50 E54 F62 T63L50-K52 WeakPolarHBondContact CD1-O 3.44Å; K52-E54 HydrophobicContact CD-CG 4.26Å; K52-E54 VanDerWaalsContact CD-OE1 3.22Å; K52-E54 WeakPolarHBondContact CD-OE1 3.44Å; K52-E54 WeakPolarHBondContact CE-OE1 3.42Å; K52-E54 WeakPolarHBondContact CE-OE2 3.4Å; K52-E54 HydrophobicContact CG-CB 4.45Å; K52-E54 HydrophobicContact CG-CG 4.25Å; K52-E54 IonicContact NZ-OE1 3.53Å; K52-E54 PolarHBondContact NZ-OE1 2.88Å; K52-E54 IonicContact NZ-OE2 2.86Å; K52-E54 PolarHBondContact NZ-OE2 3.25Å; K52-F62 CarbonylContact O-C 3.13Å; K52-F62 WeakPolarHBondContact O-CA 3.35Å; K52-T63 PolarHBondContact N-O 3.45Å; K52-T63 PolarHBondContact O-N 3.17Å
53A94.9Very high92.1Very high65 Ų6571.6 Ų71.654%0.53742%0.416SS..EExtended strand (participates in β ladder)trans-133.199.317000000107.2L50 F62L50-A53 HydrophobicContact CD2-CB 4.4Å; A53-F62 HydrophobicContact CB-CD1 3.81Å; A53-F62 HydrophobicContact CB-CE1 3.89Å
54E92.2Very high92.6Very high78 Ų7868.8 Ų68.836%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-135.9-176.8-174.467.8179.4157.800110.6K52 P60 N61K52-E54 HydrophobicContact CD-CG 4.26Å; K52-E54 VanDerWaalsContact CD-OE1 3.22Å; K52-E54 WeakPolarHBondContact CD-OE1 3.44Å; K52-E54 WeakPolarHBondContact CE-OE1 3.42Å; K52-E54 WeakPolarHBondContact CE-OE2 3.4Å; K52-E54 HydrophobicContact CG-CB 4.45Å; K52-E54 HydrophobicContact CG-CG 4.25Å; K52-E54 IonicContact NZ-OE1 3.53Å; K52-E54 PolarHBondContact NZ-OE1 2.88Å; K52-E54 IonicContact NZ-OE2 2.86Å; K52-E54 PolarHBondContact NZ-OE2 3.25Å; E54-P60 CarbonylContact O-C 3.55Å; E54-N61 HydrophobicContact CG-CB 4.31Å; E54-N61 PolarHBondContact N-O 3.24Å; E54-N61 PolarHBondContact O-N 3.21Å; E54-N61 VanDerWaalsContact O-O 3.09Å
55G90.3Very high93Very high56 Ų5668.8 Ų68.858%0.57738%0.383SS*.EExtended strand (participates in β ladder)trans95.3167.6-17800000112.9
56Q88.9Confident93.3Very high127 Ų12765 Ų6559%0.59336%0.359SS*.EExtended strand (participates in β ladder)trans-74.8154.8-177.8-65.5178.3-25.500110H58 Q59 P60Q56-H58 PolarHBondContact O-N 2.92Å; Q56-H58 PolarHBondContact OE1-CE1 2.85Å; Q56-H58 PolarHBondContact OE1-NE2 2.84Å; Q56-Q59 PolarHBondContact N-O 2.97Å; Q56-Q59 CarbonylContact O-C 3.59Å; Q56-Q59 WeakPolarHBondContact O-CA 3.38Å; Q56-Q59 PolarHBondContact O-N 2.87Å; Q56-P60 VanDerWaalsContact O-N 3.13Å
57A83.7Confident93.4Very high109 Ų10966.4 Ų66.490%0.90137%0.368SS*.THydrogen-bonded Turntrans-54.5-29.5-177.100000113.6
58H81.3Confident93.2Very high99 Ų9962.9 Ų62.946%0.45835%0.346SS..THydrogen-bonded Turntrans-88.4-13.7177.463.1-105.3000114.3Q56 Q155Q56-H58 PolarHBondContact O-N 2.92Å; Q56-H58 PolarHBondContact OE1-CE1 2.85Å; Q56-H58 PolarHBondContact OE1-NE2 2.84Å; H58-Q155 VanDerWaalsContact CB-OE1 3.31Å; H58-Q155 PolarHBondContact CD2-NE2 2.83Å; H58-Q155 PolarHBondContact CE1-NE2 3.22Å; H58-Q155 PolarHBondContact ND1-NE2 2.81Å; H58-Q155 PolarHBondContact NE2-NE2 3.04Å
59Q86.3Confident92.8Very high145 Ų14562.4 Ų62.468%0.67835%0.354SS*.EExtended strand (participates in β ladder)trans-143.970.3177.6-169.2177.685.300109.8Q56Q56-Q59 PolarHBondContact N-O 2.97Å; Q56-Q59 CarbonylContact O-C 3.59Å; Q56-Q59 WeakPolarHBondContact O-CA 3.38Å; Q56-Q59 PolarHBondContact O-N 2.87Å
60P92Very high92.3Very high45 Ų4566.6 Ų66.629%0.29238%0.377SS..EExtended strand (participates in β ladder)trans-74.4148.7179.231.6-35.5000110.6E54 Q56 F62 P78E54-P60 CarbonylContact O-C 3.55Å; Q56-P60 VanDerWaalsContact O-N 3.13Å; P60-F62 HydrophobicContact CB-CD2 4.5Å; P60-F62 HydrophobicContact CB-CE2 3.67Å; P60-F62 HydrophobicContact CB-CZ 4.01Å; P60-F62 HydrophobicContact CG-CE2 3.96Å; P60-P78 VanDerWaalsContact O-CA 3.29Å; P60-P78 WeakPolarHBondContact O-CA 3.45Å
61N95.2Very high91.9Very high45 Ų4565.5 Ų65.524%0.24137%0.373CS..EExtended strand (participates in β ladder)trans-124.4127.3172.7-171.717.9000109.9E54E54-N61 HydrophobicContact CG-CB 4.31Å; E54-N61 PolarHBondContact N-O 3.24Å; E54-N61 PolarHBondContact O-N 3.21Å; E54-N61 VanDerWaalsContact O-O 3.09Å
62F97.1Very high91.7Very high35 Ų3564.8 Ų64.815%0.15438%0.376CS..EExtended strand (participates in β ladder)trans-116.9133.5178.7-60.2-86.3000109.6L50 K52 A53 P60 Q76 G77 K80 A83L50-F62 HydrophobicContact CD1-CB 4.49Å; L50-F62 HydrophobicContact CD1-CD1 4.23Å; K52-F62 CarbonylContact O-C 3.13Å; K52-F62 WeakPolarHBondContact O-CA 3.35Å; A53-F62 HydrophobicContact CB-CD1 3.81Å; A53-F62 HydrophobicContact CB-CE1 3.89Å; P60-F62 HydrophobicContact CB-CD2 4.5Å; P60-F62 HydrophobicContact CB-CE2 3.67Å; P60-F62 HydrophobicContact CB-CZ 4.01Å; P60-F62 HydrophobicContact CG-CE2 3.96Å; F62-Q76 CarbonylContact O-C 3.46Å; F62-Q76 VanDerWaalsContact O-CA 3.24Å; F62-Q76 WeakPolarHBondContact O-CA 3.39Å; F62-G77 PolarHBondContact N-O 2.65Å; F62-G77 PolarHBondContact O-N 3.16Å; F62-K80 HydrophobicContact CD1-CG 3.77Å; F62-K80 HydrophobicContact CE1-CG 3.93Å; F62-K80 HydrophobicContact CG-CG 4.07Å; F62-K80 HydrophobicContact CZ-CG 4.36Å; F62-A83 HydrophobicContact CB-CB 3.97Å; F62-A83 WeakPolarHBondContact O-CB 3.39Å
63T96.6Very high91.8Very high10 Ų1060.4 Ų60.46%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-111.6120.4172.5-55.30000109.1L51 K52 Q76L51-T63 HydrophobicContact CB-CG2 4.3Å; L51-T63 HydrophobicContact CD1-CG2 4.37Å; L51-T63 PolarHBondContact N-O 3.18Å; K52-T63 PolarHBondContact N-O 3.45Å; K52-T63 PolarHBondContact O-N 3.17Å; T63-Q76 HydrophobicContact CG2-CG 3.93Å; T63-Q76 WeakPolarHBondContact OG1-CG 3.41Å; T63-Q76 PolarHBondContact OG1-NE2 3.13Å
64F97.8Very high91.8Very high9 Ų961.2 Ų61.24%0.03936%0.356CS..EExtended strand (participates in β ladder)trans-111.1140.8173.1-90.3-92000110.6D49 L50 T74 G75 K80 A83 K84D49-F64 CarbonylContact O-C 3.59Å; D49-F64 VanDerWaalsContact O-CA 3.31Å; D49-F64 WeakPolarHBondContact O-CA 3.11Å; D49-F64 VanDerWaalsContact O-CD1 3.27Å; D49-F64 WeakPolarHBondContact O-CD1 3.38Å; L50-F64 HydrophobicContact CB-CD1 4.44Å; L50-F64 HydrophobicContact CB-CE1 3.8Å; L50-F64 HydrophobicContact CB-CE2 4.33Å; L50-F64 HydrophobicContact CB-CZ 3.75Å; L50-F64 HydrophobicContact CD1-CD2 3.92Å; L50-F64 HydrophobicContact CD1-CE1 4.43Å; L50-F64 HydrophobicContact CD1-CE2 3.43Å; L50-F64 VanDerWaalsContact CD1-CE2 3.43Å; L50-F64 HydrophobicContact CD1-CZ 3.73Å; L50-F64 HydrophobicContact CG-CE2 4.41Å; L50-F64 HydrophobicContact CG-CZ 4.24Å; F64-T74 CarbonylContact O-C 3.52Å; F64-T74 VanDerWaalsContact O-CA 3.28Å; F64-T74 WeakPolarHBondContact O-CA 3.45Å; F64-G75 PolarHBondContact N-O 3.44Å; F64-G75 PolarHBondContact O-N 3.4Å; F64-K80 HydrophobicContact CE2-CB 3.82Å; F64-K80 HydrophobicContact CE2-CG 4.02Å; F64-K80 HydrophobicContact CZ-CB 4.24Å; F64-K80 HydrophobicContact CZ-CG 4.41Å; F64-A83 HydrophobicContact CB-CB 4.36Å; F64-A83 HydrophobicContact CD2-CB 3.71Å; F64-A83 HydrophobicContact CG-CB 4.48Å; F64-K84 HydrophobicContact CB-CG 4.15Å; F64-K84 HydrophobicContact CD1-CD 4.23Å; F64-K84 HydrophobicContact CD1-CG 3.55Å; F64-K84 HydrophobicContact CD2-CG 3.94Å; F64-K84 HydrophobicContact CE1-CD 4.12Å; F64-K84 HydrophobicContact CE1-CG 3.89Å; F64-K84 HydrophobicContact CE2-CG 4.2Å; F64-K84 HydrophobicContact CG-CG 3.58Å; F64-K84 HydrophobicContact CZ-CD 4.4Å; F64-K84 VanDerWaalsContact CZ-CE 3.46Å; F64-K84 HydrophobicContact CZ-CG 4.18Å
65R96.8Very high92Very high90 Ų9057.7 Ų57.734%0.3434%0.34SS..EExtended strand (participates in β ladder)trans-102.2137.4164.6-174.5174.361.5-166.1-0.7109.1Y48 D49 L51 C73 T74Y48-R65 CarbonylContact C-O 3.01Å; Y48-R65 VanDerWaalsContact CA-O 3.31Å; Y48-R65 WeakPolarHBondContact CA-O 3.44Å; D49-R65 HydrophobicContact CB-CB 4.49Å; D49-R65 PolarHBondContact N-O 3.27Å; D49-R65 PolarHBondContact O-N 2.93Å; D49-R65 IonicContact OD2-CZ 2.82Å; D49-R65 IonicContact OD2-NE 2.8Å; D49-R65 IonicContact OD2-NH2 3.8Å; D49-R65 PolarHBondContact OD2-NH2 3.43Å; L51-R65 HydrophobicContact CD1-CB 3.76Å; L51-R65 HydrophobicContact CD2-CB 4.3Å; L51-R65 HydrophobicContact CG-CB 3.9Å; R65-C73 CarbonylContact C-O 3.58Å; R65-C73 WeakPolarHBondContact CA-O 3.3Å; R65-T74 HydrophobicContact CB-CG2 4.1Å; R65-T74 HydrophobicContact CG-CG2 4.15Å
66V96.9Very high92.3Very high0 Ų060.4 Ų60.40%034%0.338CS..EExtended strand (participates in β ladder)trans-112.6134.8167.6670000109L35 P46 V47 Y48 V68 S72 C73 A87 A91L35-V66 HydrophobicContact CD2-CG1 4.47Å; L35-V66 HydrophobicContact CD2-CG2 3.73Å; P46-V66 HydrophobicContact CB-CG2 3.86Å; V47-V66 CarbonylContact O-C 3.34Å; V47-V66 VanDerWaalsContact O-CA 3.25Å; V47-V66 WeakPolarHBondContact O-CA 3.46Å; Y48-V66 HydrophobicContact CD1-CB 3.84Å; Y48-V66 HydrophobicContact CD1-CG2 3.91Å; Y48-V66 HydrophobicContact CD2-CG2 4.42Å; Y48-V66 HydrophobicContact CE1-CB 3.66Å; Y48-V66 HydrophobicContact CE1-CG2 3.52Å; Y48-V66 HydrophobicContact CE2-CG2 4.08Å; Y48-V66 HydrophobicContact CG-CG2 4.35Å; V66-V68 HydrophobicContact CG2-CG2 4.18Å; V66-S72 CarbonylContact O-C 3.54Å; V66-S72 VanDerWaalsContact O-CA 3.27Å; V66-S72 WeakPolarHBondContact O-CA 3.5Å; V66-C73 HydrophobicContact CG1-CB 4.08Å; V66-C73 PolarHBondContact N-O 2.98Å; V66-C73 PolarHBondContact O-N 2.92Å; V66-A87 HydrophobicContact CB-CB 4.22Å; V66-A87 HydrophobicContact CG1-CB 3.94Å; V66-A87 VanDerWaalsContact CG1-O 3.3Å; V66-A87 WeakPolarHBondContact CG1-O 3.43Å; V66-A91 HydrophobicContact CG1-CB 3.63Å
67T95Very high92.6Very high41 Ų4154.9 Ų54.925%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-121.7125.2178.4-530000108.9P46 V47P46-T67 CarbonylContact C-O 3.02Å; P46-T67 WeakPolarHBondContact CA-O 3.41Å; V47-T67 PolarHBondContact N-O 3.44Å; V47-T67 PolarHBondContact O-N 3.08Å
68V92.3Very high93Very high4 Ų454.3 Ų54.32%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-130.196-178.9-172.80000108.7L35 I42 K44 P46 V66 D70 T71 L95L35-V68 HydrophobicContact CD1-CG2 4.08Å; L35-V68 HydrophobicContact CD2-CG2 3.98Å; L35-V68 HydrophobicContact CG-CG2 4.16Å; I42-V68 HydrophobicContact CD1-CG1 4.27Å; K44-V68 HydrophobicContact CB-CG1 4.39Å; P46-V68 HydrophobicContact CB-CG2 3.78Å; V66-V68 HydrophobicContact CG2-CG2 4.18Å; V68-D70 PolarHBondContact O-N 3.35Å; V68-D70 VanDerWaalsContact O-N 3.15Å; V68-T71 PolarHBondContact N-O 3.36Å; V68-T71 PolarHBondContact O-N 2.75Å; V68-L95 HydrophobicContact CB-CD1 4.49Å; V68-L95 HydrophobicContact CG1-CD1 4.18Å
69G88.3Confident93.6Very high33 Ų3352 Ų5234%0.3430%0.297SS..THydrogen-bonded Turntrans60.5-115-168.400000110.7
70D86.6Confident94Very high144 Ų14450.5 Ų50.577%0.7729%0.288SS*.THydrogen-bonded Turntrans-95.5-10.6-174.3-43.3-63.1000112.2K44 V68K44-D70 IonicContact NZ-OD2 2.78Å; K44-D70 PolarHBondContact NZ-OD2 3.05Å; V68-D70 PolarHBondContact O-N 3.35Å; V68-D70 VanDerWaalsContact O-N 3.15Å
71T86.8Confident94.1Very high53 Ų5355.7 Ų55.733%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-94.8126.1179.7-52.40000109.7V68 H94V68-T71 PolarHBondContact N-O 3.36Å; V68-T71 PolarHBondContact O-N 2.75Å; T71-H94 HydrophobicContact CG2-CB 4.16Å
72S93Very high93.9Very high71 Ų7155.3 Ų55.350%0.49731%0.309SS..EExtended strand (participates in β ladder)trans-120.4142.4170.173.10000111.2V66V66-S72 CarbonylContact O-C 3.54Å; V66-S72 VanDerWaalsContact O-CA 3.27Å; V66-S72 WeakPolarHBondContact O-CA 3.5Å
73C95.2Very high93.9Very high10 Ų1053.6 Ų53.67%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-139.4147.7-179.6-58.80000110.1R65 V66 V90 A91 H94R65-C73 CarbonylContact C-O 3.58Å; R65-C73 WeakPolarHBondContact CA-O 3.3Å; V66-C73 HydrophobicContact CG1-CB 4.08Å; V66-C73 PolarHBondContact N-O 2.98Å; V66-C73 PolarHBondContact O-N 2.92Å; C73-V90 HydrophobicContact CB-CB 4.18Å; C73-V90 HydrophobicContact CB-CG1 3.81Å; C73-A91 HydrophobicContact CB-CB 4.21Å; C73-H94 VanDerWaalsContact SG-CD2 3.6Å
74T95.8Very high93.9Very high81 Ų8156.5 Ų56.550%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-110.4149.3177.254.60000111.5L51 F64 R65L51-T74 HydrophobicContact CD1-CG2 3.91Å; F64-T74 CarbonylContact O-C 3.52Å; F64-T74 VanDerWaalsContact O-CA 3.28Å; F64-T74 WeakPolarHBondContact O-CA 3.45Å; R65-T74 HydrophobicContact CB-CG2 4.1Å; R65-T74 HydrophobicContact CG-CG2 4.15Å
75G96.3Very high93.7Very high4 Ų459.5 Ų59.54%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-142.9140.9173.900000111.2F64F64-G75 PolarHBondContact N-O 3.44Å; F64-G75 PolarHBondContact O-N 3.4Å
76Q95.8Very high93.7Very high114 Ų11459.4 Ų59.453%0.53333%0.329SS..EExtended strand (participates in β ladder)trans-112.7156.9-179.9-62.4-172.5-13.300111.2F62 T63F62-Q76 CarbonylContact O-C 3.46Å; F62-Q76 VanDerWaalsContact O-CA 3.24Å; F62-Q76 WeakPolarHBondContact O-CA 3.39Å; T63-Q76 HydrophobicContact CG2-CG 3.93Å; T63-Q76 WeakPolarHBondContact OG1-CG 3.41Å; T63-Q76 PolarHBondContact OG1-NE2 3.13Å
77G95.3Very high93.7Very high10 Ų1059.4 Ų59.410%0.10333%0.329CS..EExtended strand (participates in β ladder)trans177.1169.4172.500000114.7F62 S79F62-G77 PolarHBondContact N-O 2.65Å; F62-G77 PolarHBondContact O-N 3.16Å; G77-S79 PolarHBondContact O-N 3.47Å; G77-S79 VanDerWaalsContact O-N 3.09Å
78P92.9Very high93.6Very high97 Ų9757.4 Ų57.463%0.6332%0.317SS*.SBendtrans-74.2-1.8-173.330.7-37.3000114.1P60P60-P78 VanDerWaalsContact O-CA 3.29Å; P60-P78 WeakPolarHBondContact O-CA 3.45Å
79S94.1Very high93.6Very high50 Ų5059.8 Ų59.835%0.3533%0.328SS..SBendtrans-148154.9174.867.70000109.9G77 K81 A82 A83G77-S79 PolarHBondContact O-N 3.47Å; G77-S79 VanDerWaalsContact O-N 3.09Å; S79-K81 PolarHBondContact O-N 3.32Å; S79-K81 VanDerWaalsContact O-N 3.14Å; S79-A82 PolarHBondContact O-N 2.89Å; S79-A82 WeakPolarHBondContact OG-CB 3.37Å; S79-A82 PolarHBondContact OG-N 3.42Å; S79-A82 VanDerWaalsContact OG-N 3.12Å; S79-A83 WeakPolarHBondContact O-CB 3.3Å; S79-A83 PolarHBondContact O-N 2.87Å
80K94.3Very high93.9Very high114 Ų11460 Ų6050%0.49632%0.322SS..Hα-helixtrans-52.1-37.9174.7-62.2-176179.4179.80112.3F62 F64 K84F62-K80 HydrophobicContact CD1-CG 3.77Å; F62-K80 HydrophobicContact CE1-CG 3.93Å; F62-K80 HydrophobicContact CG-CG 4.07Å; F62-K80 HydrophobicContact CZ-CG 4.36Å; F64-K80 HydrophobicContact CE2-CB 3.82Å; F64-K80 HydrophobicContact CE2-CG 4.02Å; F64-K80 HydrophobicContact CZ-CB 4.24Å; F64-K80 HydrophobicContact CZ-CG 4.41Å; K80-K84 WeakPolarHBondContact O-CB 3.15Å; K80-K84 WeakPolarHBondContact O-CG 3.46Å; K80-K84 PolarHBondContact O-N 2.86Å; K80-K84 VanDerWaalsContact O-N 3.1Å
81K93.6Very high94.2Very high155 Ų15553.2 Ų53.267%0.67429%0.287SS*.Hα-helixtrans-68.8-44.8177.9-173.1-179.5178.9-175.70112.1S79 H85S79-K81 PolarHBondContact O-N 3.32Å; S79-K81 VanDerWaalsContact O-N 3.14Å; K81-H85 VanDerWaalsContact O-CB 3.29Å; K81-H85 WeakPolarHBondContact O-CB 3.31Å; K81-H85 PolarHBondContact O-N 3.06Å
82A92.3Very high94.3Very high36 Ų3651.1 Ų51.130%0.29827%0.274SS..Hα-helixtrans-65.1-43.2178.800000111.7S79 H85 K86S79-A82 PolarHBondContact O-N 2.89Å; S79-A82 WeakPolarHBondContact OG-CB 3.37Å; S79-A82 PolarHBondContact OG-N 3.42Å; S79-A82 VanDerWaalsContact OG-N 3.12Å; A82-H85 WeakPolarHBondContact O-CB 3.38Å; A82-H85 PolarHBondContact O-N 2.92Å; A82-K86 PolarHBondContact O-N 3.42Å
83A96.2Very high94.1Very high0 Ų053.2 Ų53.20%027%0.274CS..Hα-helixtrans-62.1-47.617700000112.4F62 F64 S79 H85 K86 A87F62-A83 HydrophobicContact CB-CB 3.97Å; F62-A83 WeakPolarHBondContact O-CB 3.39Å; F64-A83 HydrophobicContact CB-CB 4.36Å; F64-A83 HydrophobicContact CD2-CB 3.71Å; F64-A83 HydrophobicContact CG-CB 4.48Å; S79-A83 WeakPolarHBondContact O-CB 3.3Å; S79-A83 PolarHBondContact O-N 2.87Å; A83-H85 VanDerWaalsContact C-N 3.32Å; A83-H85 PolarHBondContact O-N 3.33Å; A83-K86 PolarHBondContact O-N 3.39Å; A83-A87 PolarHBondContact O-N 3.47Å
84K95.8Very high93.8Very high70 Ų7058.1 Ų58.130%0.30430%0.295SS..Hα-helixtrans-59.4-41.8173.4-75.8-174.3179.6-167.50112.6I32 Y48 F64 K80 K86 A87 A88I32-K84 HydrophobicContact CD1-CB 3.96Å; Y48-K84 HydrophobicContact CD1-CB 4.21Å; Y48-K84 HydrophobicContact CD1-CD 4.32Å; Y48-K84 HydrophobicContact CD1-CG 3.92Å; Y48-K84 HydrophobicContact CE1-CB 4.23Å; Y48-K84 HydrophobicContact CE1-CG 4.44Å; Y48-K84 HydrophobicContact CG-CD 4.42Å; Y48-K84 HydrophobicContact CG-CG 4.47Å; F64-K84 HydrophobicContact CB-CG 4.15Å; F64-K84 HydrophobicContact CD1-CD 4.23Å; F64-K84 HydrophobicContact CD1-CG 3.55Å; F64-K84 HydrophobicContact CD2-CG 3.94Å; F64-K84 HydrophobicContact CE1-CD 4.12Å; F64-K84 HydrophobicContact CE1-CG 3.89Å; F64-K84 HydrophobicContact CE2-CG 4.2Å; F64-K84 HydrophobicContact CG-CG 3.58Å; F64-K84 HydrophobicContact CZ-CD 4.4Å; F64-K84 VanDerWaalsContact CZ-CE 3.46Å; F64-K84 HydrophobicContact CZ-CG 4.18Å; K80-K84 WeakPolarHBondContact O-CB 3.15Å; K80-K84 WeakPolarHBondContact O-CG 3.46Å; K80-K84 PolarHBondContact O-N 2.86Å; K80-K84 VanDerWaalsContact O-N 3.1Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-A87 PolarHBondContact O-N 2.92Å; K84-A88 WeakPolarHBondContact O-CB 3.27Å; K84-A88 PolarHBondContact O-N 2.79Å
85H95.2Very high93.2Very high72 Ų7255.9 Ų55.933%0.33328%0.28SS..Hα-helixtrans-61-45.2177.7-175115000111P31 I32 K81 A82 A83 A88 E89P31-H85 WeakPolarHBondContact CD-CE1 3.5Å; P31-H85 WeakPolarHBondContact CG-NE2 3.34Å; I32-H85 HydrophobicContact CD1-CB 4.12Å; I32-H85 HydrophobicContact CG1-CB 4.37Å; K81-H85 VanDerWaalsContact O-CB 3.29Å; K81-H85 WeakPolarHBondContact O-CB 3.31Å; K81-H85 PolarHBondContact O-N 3.06Å; A82-H85 WeakPolarHBondContact O-CB 3.38Å; A82-H85 PolarHBondContact O-N 2.92Å; A83-H85 VanDerWaalsContact C-N 3.32Å; A83-H85 PolarHBondContact O-N 3.33Å; H85-A88 PolarHBondContact O-N 2.78Å; H85-E89 PolarHBondContact O-N 2.84Å
86K95.6Very high92.5Very high88 Ų8860.3 Ų60.338%0.38330%0.298SS..Hα-helixtrans-65.3-43.3178.3-168.765.8-174.2171.50112.3A82 A83 K84 A88 E89 V90A82-K86 PolarHBondContact O-N 3.42Å; A83-K86 PolarHBondContact O-N 3.39Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.14Å; K86-E89 WeakPolarHBondContact CD-OE2 3.47Å; K86-E89 IonicContact NZ-OE1 3.73Å; K86-E89 IonicContact NZ-OE2 3.35Å; K86-E89 PolarHBondContact NZ-OE2 3.14Å; K86-E89 WeakPolarHBondContact O-CB 3.48Å; K86-E89 PolarHBondContact O-N 2.89Å; K86-V90 WeakPolarHBondContact O-CG2 3.23Å; K86-V90 PolarHBondContact O-N 3.19Å; K86-V90 VanDerWaalsContact O-N 3.09Å
87A96.6Very high91.2Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-59.7-44.3176.500000111V66 A83 K84 V90 A91V66-A87 HydrophobicContact CB-CB 4.22Å; V66-A87 HydrophobicContact CG1-CB 3.94Å; V66-A87 VanDerWaalsContact CG1-O 3.3Å; V66-A87 WeakPolarHBondContact CG1-O 3.43Å; A83-A87 PolarHBondContact O-N 3.47Å; K84-A87 PolarHBondContact O-N 2.92Å; A87-V90 PolarHBondContact O-N 3.36Å; A87-A91 PolarHBondContact O-N 3.2Å
88A94.5Very high89.4Confident0 Ų060.2 Ų60.20%033%0.328CS..Hα-helixtrans-64.5-39.7177.700000112.9P31 I32 L35 Y48 K84 H85 K86 A91 L92P31-A88 HydrophobicContact CB-CB 4.11Å; I32-A88 HydrophobicContact CG1-CB 4.02Å; L35-A88 HydrophobicContact CD2-CB 3.97Å; Y48-A88 HydrophobicContact CE1-CB 4.37Å; Y48-A88 WeakPolarHBondContact OH-CB 3.26Å; K84-A88 WeakPolarHBondContact O-CB 3.27Å; K84-A88 PolarHBondContact O-N 2.79Å; H85-A88 PolarHBondContact O-N 2.78Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.14Å; A88-A91 PolarHBondContact O-N 3.36Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 2.88Å
89E92.4Very high87Confident54 Ų5460.2 Ų60.225%0.25233%0.33SS..Hα-helixtrans-60.3-44.6175.8-167.2-155155.300111.5P31 H85 K86 L92 K93P31-E89 HydrophobicContact CB-CB 4.39Å; H85-E89 PolarHBondContact O-N 2.84Å; K86-E89 WeakPolarHBondContact CD-OE2 3.47Å; K86-E89 IonicContact NZ-OE1 3.73Å; K86-E89 IonicContact NZ-OE2 3.35Å; K86-E89 PolarHBondContact NZ-OE2 3.14Å; K86-E89 WeakPolarHBondContact O-CB 3.48Å; K86-E89 PolarHBondContact O-N 2.89Å; E89-L92 PolarHBondContact O-N 3.39Å; E89-K93 WeakPolarHBondContact O-CG 3.32Å; E89-K93 PolarHBondContact O-N 3.49Å; E89-K93 VanDerWaalsContact OE1-CE 3.28Å; E89-K93 WeakPolarHBondContact OE1-CE 3.29Å; E89-K93 IonicContact OE1-NZ 3.69Å; E89-K93 PolarHBondContact OE1-NZ 2.63Å
90V93.8Very high84.1Confident36 Ų3666.6 Ų66.622%0.21836%0.357CS..Hα-helixtrans-64.8-46.1177.8176.60000110.5C73 K86 A87 L92 K93 H94C73-V90 HydrophobicContact CB-CB 4.18Å; C73-V90 HydrophobicContact CB-CG1 3.81Å; K86-V90 WeakPolarHBondContact O-CG2 3.23Å; K86-V90 PolarHBondContact O-N 3.19Å; K86-V90 VanDerWaalsContact O-N 3.09Å; A87-V90 PolarHBondContact O-N 3.36Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-L92 PolarHBondContact O-N 2.88Å; V90-K93 WeakPolarHBondContact O-CB 3.41Å; V90-K93 PolarHBondContact O-N 2.73Å; V90-H94 PolarHBondContact O-CD2 2.97Å; V90-H94 VanDerWaalsContact O-CD2 3.25Å; V90-H94 PolarHBondContact O-N 3.16Å; V90-H94 VanDerWaalsContact O-N 3.11Å
91A92.6Very high81.6Confident2 Ų268.4 Ų68.42%0.01737%0.371CS..Hα-helixtrans-58.7-43.217700000112.8L35 V66 C73 A87 A88 K93 H94 L95L35-A91 HydrophobicContact CD1-CB 4.22Å; L35-A91 HydrophobicContact CD2-CB 3.86Å; V66-A91 HydrophobicContact CG1-CB 3.63Å; C73-A91 HydrophobicContact CB-CB 4.21Å; A87-A91 PolarHBondContact O-N 3.2Å; A88-A91 PolarHBondContact O-N 3.36Å; A91-K93 VanDerWaalsContact C-N 3.26Å; A91-K93 PolarHBondContact O-N 3.01Å; A91-H94 PolarHBondContact O-N 3.35Å; A91-L95 WeakPolarHBondContact O-CB 3.45Å; A91-L95 WeakPolarHBondContact O-CD1 3.4Å; A91-L95 VanDerWaalsContact O-CG 3.24Å; A91-L95 WeakPolarHBondContact O-CG 3.18Å; A91-L95 PolarHBondContact O-N 2.74Å
92L89.4Confident79Confident10 Ų1069.6 Ų69.65%0.05238%0.379CS..Hα-helixtrans-61.5-33175.4-73.3172.4000112.7I19 L23 P31 L34 L35 A88 E89 V90 K96I19-L92 HydrophobicContact CD1-CD2 3.94Å; I19-L92 HydrophobicContact CG1-CD2 4.49Å; L23-L92 HydrophobicContact CD2-CD1 4.23Å; P31-L92 HydrophobicContact CB-CD1 3.94Å; L34-L92 HydrophobicContact CB-CD1 4.15Å; L35-L92 HydrophobicContact CB-CD1 4.5Å; L35-L92 HydrophobicContact CB-CD2 4.04Å; L35-L92 HydrophobicContact CB-CG 4.16Å; L35-L92 HydrophobicContact CD1-CD2 3.58Å; L35-L92 HydrophobicContact CD1-CG 3.91Å; L35-L92 HydrophobicContact CG-CD2 4.44Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 2.88Å; E89-L92 PolarHBondContact O-N 3.39Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-L92 PolarHBondContact O-N 2.88Å; L92-K96 VanDerWaalsContact O-CG 3.32Å; L92-K96 WeakPolarHBondContact O-CG 3.46Å; L92-K96 PolarHBondContact O-N 2.71Å; L92-K96 VanDerWaalsContact O-N 3.14Å
93K89Confident77Confident114 Ų11472.3 Ų72.350%0.49639%0.393SS..Hα-helixtrans-68.7-43.4175.3-70174.4-172.9174.10111.8E89 V90 A91 L95 K96 G97E89-K93 WeakPolarHBondContact O-CG 3.32Å; E89-K93 PolarHBondContact O-N 3.49Å; E89-K93 VanDerWaalsContact OE1-CE 3.28Å; E89-K93 WeakPolarHBondContact OE1-CE 3.29Å; E89-K93 IonicContact OE1-NZ 3.69Å; E89-K93 PolarHBondContact OE1-NZ 2.63Å; V90-K93 WeakPolarHBondContact O-CB 3.41Å; V90-K93 PolarHBondContact O-N 2.73Å; A91-K93 VanDerWaalsContact C-N 3.26Å; A91-K93 PolarHBondContact O-N 3.01Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.93Å; K93-K96 WeakPolarHBondContact O-CB 3.36Å; K93-K96 PolarHBondContact O-N 2.73Å; K93-G97 PolarHBondContact O-N 3.14Å
94H88.2Confident74.1Confident114 Ų11476.6 Ų76.653%0.52843%0.429SS..Hα-helixtrans-66.7-35.2176.5-74.1-76.7000112.6T71 C73 V90 A91 K96 G97T71-H94 HydrophobicContact CG2-CB 4.16Å; C73-H94 VanDerWaalsContact SG-CD2 3.6Å; V90-H94 PolarHBondContact O-CD2 2.97Å; V90-H94 VanDerWaalsContact O-CD2 3.25Å; V90-H94 PolarHBondContact O-N 3.16Å; V90-H94 VanDerWaalsContact O-N 3.11Å; A91-H94 PolarHBondContact O-N 3.35Å; H94-K96 VanDerWaalsContact C-N 3.34Å; H94-G97 PolarHBondContact O-N 3.11Å
95L83.3Confident71.4Confident34 Ų3480.7 Ų80.718%0.17845%0.453CS..Hα-helixtrans-72.3-25.4177.2-68.1166000113.2I19 L35 Y38 V68 A91 K93I19-L95 HydrophobicContact CD1-CB 3.53Å; L35-L95 HydrophobicContact CD1-CD1 3.5Å; L35-L95 VanDerWaalsContact CD1-CD1 3.5Å; Y38-L95 HydrophobicContact CD1-CD1 4.02Å; Y38-L95 HydrophobicContact CE1-CB 4.35Å; Y38-L95 HydrophobicContact CE1-CD1 3.83Å; Y38-L95 HydrophobicContact CE1-CD2 4.16Å; Y38-L95 HydrophobicContact CE1-CG 4.34Å; V68-L95 HydrophobicContact CB-CD1 4.49Å; V68-L95 HydrophobicContact CG1-CD1 4.18Å; A91-L95 WeakPolarHBondContact O-CB 3.45Å; A91-L95 WeakPolarHBondContact O-CD1 3.4Å; A91-L95 VanDerWaalsContact O-CG 3.24Å; A91-L95 WeakPolarHBondContact O-CG 3.18Å; A91-L95 PolarHBondContact O-N 2.74Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.93Å
96K81.2Confident68.5Low97 Ų9785.6 Ų85.642%0.42248%0.476SS..Hα-helixtrans-70.4-35.7168-76173.2177.9-161.50113I19 E20 L23 L92 K93 H94 G98I19-K96 HydrophobicContact CG2-CB 4.32Å; I19-K96 HydrophobicContact CG2-CG 3.7Å; E20-K96 HydrophobicContact CG-CG 4.49Å; L23-K96 HydrophobicContact CD1-CD 4.28Å; L92-K96 VanDerWaalsContact O-CG 3.32Å; L92-K96 WeakPolarHBondContact O-CG 3.46Å; L92-K96 PolarHBondContact O-N 2.71Å; L92-K96 VanDerWaalsContact O-N 3.14Å; K93-K96 WeakPolarHBondContact O-CB 3.36Å; K93-K96 PolarHBondContact O-N 2.73Å; H94-K96 VanDerWaalsContact C-N 3.34Å; K96-G98 VanDerWaalsContact C-N 3.34Å; K96-G98 PolarHBondContact O-N 3.45Å
97G69.8Low65.6Low62 Ų6287.8 Ų87.864%0.63949%0.492SS*.SBendtrans-82.5-0-169.700000116K93 H94K93-G97 PolarHBondContact O-N 3.14Å; H94-G97 PolarHBondContact O-N 3.11Å
98G55.8Low62.6Low60 Ų6093.2 Ų93.262%0.61953%0.53SS*.  trans46.978.6172.200000115.4K96K96-G98 VanDerWaalsContact C-N 3.34Å; K96-G98 PolarHBondContact O-N 3.45Å
99S42.8Very low59.8Low97 Ų9797.6 Ų97.668%0.67856%0.561SS**  trans46.894161.5-171.50000117.7
100M33.3Very low56.8Low184 Ų184100.5 Ų100.591%0.90659%0.587SS**  trans-124.1119.3140.8-81-10380.300107.4
101L43.3Very low53.8Low151 Ų151108.3 Ų108.379%0.79162%0.619SS**  trans-64.7140.7175.4-50.5162.2000108
102E38.6Very low51Low180 Ų180112.9 Ų112.984%0.84165%0.65SS**  -166.6171.858.4-117.7-114.6127.300112
103P48.6Very low48.4Very low93 Ų93118 Ų11860%0.60469%0.685SS**  trans-103.7162.9-173.336.5-22.5000115.5
104A35.7Very low45.5Very low90 Ų90120.9 Ų120.974%0.74470%0.704SS**  trans65.6135.4157.100000117.6
105L39.3Very low42.6Very low156 Ų156122.2 Ų122.282%0.81772%0.715SS**  cis-158.9144.3-2.6-74.7147000102.1
106E35.5Very low40.1Very low176 Ų176125 Ų12582%0.82274%0.737SS**  169.7151.384.6-79.9-166.8159.600108.2
107D33.6Very low37.6Very low133 Ų133126.4 Ų126.471%0.71176%0.759SS**  trans32118147.3-154.64.4000121S109D107-S109 PolarHBondContact OD1-N 2.98Å; D107-S109 PolarHBondContact OD1-OG 3.47Å
108S34.3Very low35.5Very low115 Ų115131.4 Ų131.480%0.80477%0.771SS**  trans-14979.4143.935.20000109.1S110S108-S110 PolarHBondContact O-N 2.93Å
109S34.8Very low34.8Very low91 Ų91134 Ų13464%0.63678%0.776SS**  trans-31111.1133.743.50000111.3D107 F111D107-S109 PolarHBondContact OD1-N 2.98Å; D107-S109 PolarHBondContact OD1-OG 3.47Å; S109-F111 PolarHBondContact O-N 3.29Å
110S29.9Very low34.1Very low116 Ų116137.2 Ų137.281%0.81178%0.781SS**  trans-78.595163.2-174.10000107.2S108S108-S110 PolarHBondContact O-N 2.93Å
111F31.3Very low33.9Very low200 Ų200136.5 Ų136.588%0.87778%0.781SS**  trans-134.1126.1155.7-138.5-93.2000109.6S109S109-F111 PolarHBondContact O-N 3.29Å
112S34.2Very low33.1Very low97 Ų97135.3 Ų135.368%0.67877%0.774SS**  trans-63.8160.3-177.7-530000112.5
113P34Very low33.1Very low119 Ų119132.3 Ų132.377%0.77377%0.77SS**  trans-86.7138.2-165.433.6-31.2000112.4
114L28.7Very low32.1Very low173 Ų173134.3 Ų134.391%0.90677%0.774SS**  trans-154.9103.8150.6-101.4128.5000110.6
115D27.1Very low31.7Very low142 Ų142140 Ų14076%0.75978%0.783SS**  trans55.8111.2132.1-144.815.9000122.1
116S30.4Very low31.1Very low92 Ų92138 Ų13864%0.64378%0.777SS**  trans29.5119.3143.860.30000122.8
117S28.4Very low30.7Very low127 Ų127134.1 Ų134.189%0.88878%0.775SS**  166133.6105.446.60000112.8
118L26.8Very low30.4Very low167 Ų167132.7 Ų132.787%0.87478%0.781SS**  trans-81.7178.3174.3-74.4169.7000111.8
119P39.4Very low30Very low114 Ų114132.5 Ų132.574%0.7479%0.787SS**  cis-133-173.1-25.226.6-2.8000114.2
120E29.6Very low29.7Very low165 Ų165133 Ų13377%0.77180%0.797SS**  trans-55.4160-174.3-54.7171.9123.500119.2
121D27.6Very low29.5Very low169 Ų169132.2 Ų132.290%0.90480%0.797SS**  trans-155.8138.3133.2-100.4-37.3000112.5
122I28.1Very low29.5Very low127 Ų127129 Ų12965%0.65180%0.795SS**  trans-92.2148.8-177.4-53.9161.2000107.8I124I122-I124 HydrophobicContact CG2-CG1 4.42Å
123P37.5Very low29.5Very low117 Ų117130.2 Ų130.276%0.7680%0.8SS**  -155.8141.685.635.7-11.4000119.6
124I29Very low29.5Very low135 Ų135130.9 Ų130.969%0.69280%0.801SS**  17.4128.1126.3-54.6168.1000117.8I122I122-I124 HydrophobicContact CG2-CG1 4.42Å
125F27.4Very low29.9Very low209 Ų209128.7 Ų128.792%0.91780%0.797SS**  trans-151.5134.9135.7-133.3-92000112.9
126T25Very low30.2Very low115 Ų115127.2 Ų127.271%0.70680%0.799SS**  trans-100.1144.9175.730.30000111
127A27.9Very low30.2Very low94 Ų94129.1 Ų129.178%0.77781%0.806SS**  trans177.6113.6146.600000108
128A26.1Very low30.2Very low102 Ų102129 Ų12984%0.84380%0.799SS**  72.9110.774.500000114.6
129A27.4Very low30.3Very low111 Ų111128.3 Ų128.392%0.91780%0.796SS**  172.5146.9122.500000112.1
130A27.1Very low29.7Very low102 Ų102128.7 Ų128.784%0.84380%0.796SS**  trans-94.2162.8-166.300000114.5
131A25.7Very low29.7Very low100 Ų100132 Ų13283%0.82680%0.802SS**  166.2135.7120.500000113
132T32Very low29.8Very low133 Ų133128.8 Ų128.882%0.81679%0.792SS**  trans-77.2-179.6162450000110.6
133P34.6Very low30.6Very low121 Ų121128.2 Ų128.279%0.78680%0.797SS**  cis-141.8-177.714.237.3-13.1000117.5
134V32.8Very low30.8Very low133 Ų133128 Ų12881%0.80680%0.795SS**  trans-70.9161.2173.6-73.60000113.7
135P38.8Very low31.5Very low127 Ų127129.7 Ų129.783%0.82580%0.803SS**  -152.5177.471.437.4-13000119
136S33.2Very low31.6Very low112 Ų112129.2 Ų129.278%0.78380%0.803SS**  trans-49.1159.4-177-47.10000119
137V29.7Very low32.5Very low132 Ų132131.4 Ų131.480%0.881%0.81SS**  trans165115.6130.1170.40000112.8
138V28Very low32.6Very low124 Ų124136 Ų13675%0.75282%0.815SS**  trans56118.7133.8-176.70000123.8
139L30.4Very low33Very low152 Ų152136.4 Ų136.480%0.79681%0.809SS**  trans51.7133.9137-96.6132000125.2
140T26.2Very low33.5Very low122 Ų122137.1 Ų137.175%0.74881%0.805SS**  trans96.1129.3142.8-21.40000120
141R28.5Very low33.8Very low236 Ų236139 Ų13989%0.89181%0.805SS**  trans111.4104.9139.5-156.5164.5-178.1-1401.1116.4
142S29.5Very low33.9Very low101 Ų101139.1 Ų139.171%0.70680%0.8SS**  trans-69173.9152.455.50000110.3
143P46.8Very low34.2Very low114 Ų114137.9 Ų137.974%0.7479%0.794SS**  cis-135.4-147.54.844-22.8000110.1
144P41.3Very low34.2Very low113 Ų113140 Ų14073%0.73479%0.794SS**  cis-130.6168.7-14.234.7-14000116.2
145M43Very low34.6Very low171 Ų171139.9 Ų139.984%0.84278%0.784SS**  trans13.4120.7154.6-72.1174.868.400119.5
146E30.6Very low34.7Very low198 Ų198136.6 Ų136.693%0.92576%0.764SS**  trans-134.7144.7138.4-99.9-167.3115.200111.3
147L43.4Very low35.4Very low162 Ų162140.2 Ų140.285%0.84877%0.769SS**  trans-67.9128.4-168.5-67.7145.6000111.6
148Q29.2Very low36.9Very low189 Ų189139.4 Ų139.488%0.88377%0.768SS**  trans-121.6137.5160.5-94.3-172.9-3600111
149P34.8Very low39.8Very low112 Ų112137.3 Ų137.373%0.72775%0.752SS**PPolyproline II helixtrans-73.2168.4-175.634.6-38000111.9V151P149-V151 PolarHBondContact O-N 2.94Å
150P38Very low42.7Very low126 Ų126131.1 Ų131.182%0.81872%0.721SS**PPolyproline II helixtrans-70.9124.7-152.130.2-32.3000111.2S152P150-S152 PolarHBondContact O-N 3.25Å
151V32.9Very low46Very low142 Ų142126.6 Ų126.686%0.86169%0.693SS**PPolyproline II helixtrans-66.5129.1168.5-750000109.7P149P149-V151 PolarHBondContact O-N 2.94Å
152S28Very low49.1Very low101 Ų101116.3 Ų116.371%0.70666%0.661SS**PPolyproline II helixtrans-54134.3-171.1-43.20000114.1P150 Q154P150-S152 PolarHBondContact O-N 3.25Å; S152-Q154 PolarHBondContact O-N 2.77Å
153P37.6Very low52.1Low108 Ų108113.2 Ų113.270%0.70164%0.641SS**  trans-86.784.6177.333.5-30.6000110
154Q36.2Very low54.4Low166 Ų166107.8 Ų107.878%0.77661%0.606SS**  trans-131.921.1178.6-68.6-165.7-28.900114.7S152S152-Q154 PolarHBondContact O-N 2.77Å
155Q40.8Very low56.9Low129 Ų129106.5 Ų106.560%0.60359%0.59SS**SBendtrans-1281.4167.8-71.2178.57.500113.9H58 E157H58-Q155 VanDerWaalsContact CB-OE1 3.31Å; H58-Q155 PolarHBondContact CD2-NE2 2.83Å; H58-Q155 PolarHBondContact CE1-NE2 3.22Å; H58-Q155 PolarHBondContact ND1-NE2 2.81Å; H58-Q155 PolarHBondContact NE2-NE2 3.04Å; Q155-E157 PolarHBondContact O-N 2.92Å
156S39.8Very low59.3Low59 Ų59104.1 Ų104.141%0.41358%0.577SS.*  trans-79.82.3176.530.80000113.5C158S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 3.39Å
157E49.5Very low62.1Low188 Ų18896 Ų9688%0.87954%0.54SS*.THydrogen-bonded Turntrans-782.6-168.5-124.7169.4-159.900116.1Q155Q155-E157 PolarHBondContact O-N 2.92Å
158C60.3Low64.4Low114 Ų11488.3 Ų88.377%0.7750%0.499SS*.THydrogen-bonded Turntrans-147.18.6-176.668.70000118.3S156 P160S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 3.39Å; C158-P160 WeakPolarHBondContact O-CD 3.4Å
159N88.2Confident67.4Low80 Ų8083.4 Ų83.443%0.42848%0.483SS..  trans-97.299.9170.4-177.318.4000110.6V161 G162 A163N159-V161 PolarHBondContact O-N 2.98Å; N159-V161 VanDerWaalsContact O-N 3.11Å; N159-V161 PolarHBondContact OD1-N 3.01Å; N159-G162 PolarHBondContact ND2-N 2.84Å; N159-G162 PolarHBondContact O-N 2.97Å; N159-A163 PolarHBondContact O-N 3.41Å
160P91.6Very high70Confident22 Ų2286 Ų8614%0.14349%0.485CS..Hα-helixtrans-64.4-22.9-176.628.1-36.5000112.6C158 L164 R215 A218 A219 L222C158-P160 WeakPolarHBondContact O-CD 3.4Å; P160-L164 WeakPolarHBondContact O-CB 3.21Å; P160-L164 PolarHBondContact O-N 3.49Å; P160-R215 HydrophobicContact CG-CB 4.45Å; P160-R215 HydrophobicContact CG-CG 3.29Å; P160-R215 WeakPolarHBondContact CG-O 3.36Å; P160-A218 HydrophobicContact CB-CB 4.42Å; P160-A219 HydrophobicContact CB-CB 3.86Å; P160-A219 HydrophobicContact CG-CB 4.15Å; P160-L222 HydrophobicContact CB-CD1 3.82Å; P160-L222 WeakPolarHBondContact O-CD1 3.36Å
161V95.1Very high72.3Confident27 Ų2785.1 Ų85.116%0.16447%0.468CS..Hα-helixtrans-69.6-43.9174-176.20000110.9N159 Q165 Y178 K214 R215 A218N159-V161 PolarHBondContact O-N 2.98Å; N159-V161 VanDerWaalsContact O-N 3.11Å; N159-V161 PolarHBondContact OD1-N 3.01Å; V161-Q165 PolarHBondContact O-N 2.89Å; V161-Q165 VanDerWaalsContact O-N 3.09Å; V161-Y178 HydrophobicContact CG1-CE2 4.35Å; V161-K214 HydrophobicContact CG1-CD 4.46Å; V161-K214 HydrophobicContact CG2-CG 4.17Å; V161-R215 HydrophobicContact CG2-CB 4.46Å; V161-A218 HydrophobicContact CB-CB 4.31Å; V161-A218 HydrophobicContact CG2-CB 3.81Å
162G94.1Very high74.9Confident20 Ų2081.1 Ų81.121%0.20646%0.456CS..Hα-helixtrans-68.7-47.817800000111.4N159 L164 Q165 E166N159-G162 PolarHBondContact ND2-N 2.84Å; N159-G162 PolarHBondContact O-N 2.97Å; G162-L164 VanDerWaalsContact C-N 3.29Å; G162-L164 PolarHBondContact O-N 3.38Å; G162-Q165 PolarHBondContact O-N 3.41Å; G162-E166 WeakPolarHBondContact O-CG 3.32Å; G162-E166 PolarHBondContact O-N 2.86Å
163A93.2Very high77.9Confident36 Ų3678.4 Ų78.430%0.29843%0.43SS..Hα-helixtrans-58.5-40.4176.500000112.2N159 L167 L222N159-A163 PolarHBondContact O-N 3.41Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 PolarHBondContact O-N 3.39Å; A163-L222 HydrophobicContact CB-CD1 3.98Å
164L94.2Very high80.5Confident0 Ų078.7 Ų78.70%042%0.417CS..Hα-helixtrans-63.4-45173.9-177.864.2000111.5P160 G162 L167 V168 P176 V198 A218 M221 L222 V225P160-L164 WeakPolarHBondContact O-CB 3.21Å; P160-L164 PolarHBondContact O-N 3.49Å; G162-L164 VanDerWaalsContact C-N 3.29Å; G162-L164 PolarHBondContact O-N 3.38Å; L164-L167 PolarHBondContact O-N 3.35Å; L164-V168 HydrophobicContact CD1-CG2 4.13Å; L164-V168 HydrophobicContact CG-CG2 4.26Å; L164-V168 WeakPolarHBondContact O-CB 3.44Å; L164-V168 WeakPolarHBondContact O-CG2 3.34Å; L164-V168 PolarHBondContact O-N 3.01Å; L164-P176 HydrophobicContact CD2-CB 4.23Å; L164-V198 HydrophobicContact CD1-CG2 4.46Å; L164-V198 HydrophobicContact CD2-CG2 4.16Å; L164-V198 HydrophobicContact CG-CG2 4.5Å; L164-A218 HydrophobicContact CB-CB 4.48Å; L164-A218 HydrophobicContact CD2-CB 3.99Å; L164-M221 HydrophobicContact CD1-CB 4.15Å; L164-M221 HydrophobicContact CD1-CG 3.63Å; L164-M221 HydrophobicContact CD2-CB 3.81Å; L164-M221 HydrophobicContact CD2-CG 3.72Å; L164-M221 HydrophobicContact CG-CG 4.34Å; L164-L222 HydrophobicContact CB-CD1 4.43Å; L164-L222 HydrophobicContact CB-CD2 3.98Å; L164-L222 HydrophobicContact CB-CG 3.93Å; L164-L222 HydrophobicContact CD1-CD2 3.95Å; L164-L222 HydrophobicContact CD1-CG 4.1Å; L164-V225 HydrophobicContact CD1-CG2 4.35Å
165Q94.5Very high83.1Confident86 Ų8675.9 Ų75.940%0.40241%0.407SS..Hα-helixtrans-64-43.6-179.4-178.6156.1-14.400112.1V161 G162 V168 V169 L175 P176V161-Q165 PolarHBondContact O-N 2.89Å; V161-Q165 VanDerWaalsContact O-N 3.09Å; G162-Q165 PolarHBondContact O-N 3.41Å; Q165-V168 PolarHBondContact O-N 2.63Å; Q165-V169 WeakPolarHBondContact O-CB 3.49Å; Q165-V169 VanDerWaalsContact O-CG2 3.28Å; Q165-V169 WeakPolarHBondContact O-CG2 3.15Å; Q165-V169 PolarHBondContact O-N 2.63Å; Q165-L175 HydrophobicContact CG-CD2 4.14Å; Q165-P176 HydrophobicContact CB-CG 4.42Å
166E93Very high85.7Confident121 Ų12170.4 Ų70.457%0.56538%0.383SS*.Hα-helixtrans-59.8-46174.3-71.9171.7-160.500111.4G162 V168 V169 Q170G162-E166 WeakPolarHBondContact O-CG 3.32Å; G162-E166 PolarHBondContact O-N 2.86Å; E166-V168 PolarHBondContact O-N 3Å; E166-V169 PolarHBondContact O-N 3.43Å; E166-Q170 VanDerWaalsContact O-CB 3.3Å; E166-Q170 WeakPolarHBondContact O-CB 3.34Å; E166-Q170 PolarHBondContact O-N 3.18Å
167L89.9Confident88.3Confident28 Ų2872.6 Ų72.615%0.14739%0.386CS..Hα-helixtrans-61.2-44.4177.8179.364.4000112.4A163 L164 Q170 K171 L222 V225 H226A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 PolarHBondContact O-N 3.39Å; L164-L167 PolarHBondContact O-N 3.35Å; L167-Q170 PolarHBondContact O-N 2.83Å; L167-K171 HydrophobicContact CD1-CG 4.34Å; L167-K171 WeakPolarHBondContact O-CB 3.17Å; L167-K171 VanDerWaalsContact O-CG 3.23Å; L167-K171 WeakPolarHBondContact O-CG 3.2Å; L167-K171 PolarHBondContact O-N 2.93Å; L167-L222 HydrophobicContact CD2-CD2 3.76Å; L167-V225 HydrophobicContact CD2-CG2 3.42Å; L167-V225 VanDerWaalsContact CD2-CG2 3.42Å; L167-H226 WeakPolarHBondContact CD2-NE2 3.48Å
168V92.3Very high90.5Very high0 Ų066 Ų660%035%0.353CS..Hα-helixtrans-61.4-45.4177.6166.60000110.8L164 Q165 E166 K171 G172 W173 R174 V198L164-V168 HydrophobicContact CD1-CG2 4.13Å; L164-V168 HydrophobicContact CG-CG2 4.26Å; L164-V168 WeakPolarHBondContact O-CB 3.44Å; L164-V168 WeakPolarHBondContact O-CG2 3.34Å; L164-V168 PolarHBondContact O-N 3.01Å; Q165-V168 PolarHBondContact O-N 2.63Å; E166-V168 PolarHBondContact O-N 3Å; V168-K171 PolarHBondContact O-N 3.11Å; V168-G172 PolarHBondContact O-N 3.21Å; V168-W173 HydrophobicContact CG1-CB 3.82Å; V168-W173 HydrophobicContact CG2-CE3 4.29Å; V168-W173 PolarHBondContact O-N 2.8Å; V168-R174 WeakPolarHBondContact CG1-O 3.46Å; V168-V198 HydrophobicContact CG2-CG1 3.51Å; V168-V198 HydrophobicContact CG2-CG2 4.14Å
169V91.9Very high92.1Very high87 Ų8763.8 Ų63.853%0.52734%0.337SS..Hα-helixtrans-63-44.6175.8169.60000110.8Q165 E166 K171 G172 L175Q165-V169 WeakPolarHBondContact O-CB 3.49Å; Q165-V169 VanDerWaalsContact O-CG2 3.28Å; Q165-V169 WeakPolarHBondContact O-CG2 3.15Å; Q165-V169 PolarHBondContact O-N 2.63Å; E166-V169 PolarHBondContact O-N 3.43Å; V169-K171 VanDerWaalsContact C-N 3.26Å; V169-K171 PolarHBondContact O-N 3.13Å; V169-G172 PolarHBondContact O-N 2.97Å; V169-L175 HydrophobicContact CG2-CD2 3.84Å
170Q89.6Confident92.5Very high167 Ų16762.6 Ų62.678%0.7833%0.332SS*.Hα-helixtrans-61.6-33.5177.9-174.962.750.300112.5E166 L167 G172E166-Q170 VanDerWaalsContact O-CB 3.3Å; E166-Q170 WeakPolarHBondContact O-CB 3.34Å; E166-Q170 PolarHBondContact O-N 3.18Å; L167-Q170 PolarHBondContact O-N 2.83Å; Q170-G172 VanDerWaalsContact C-N 3.29Å
171K85.6Confident92.3Very high106 Ų10665.5 Ų65.546%0.46135%0.35SS..THydrogen-bonded Turntrans-80.7-5.9175-68.8-82.6-176.4174.70113.3L167 V168 V169 W173L167-K171 HydrophobicContact CD1-CG 4.34Å; L167-K171 WeakPolarHBondContact O-CB 3.17Å; L167-K171 VanDerWaalsContact O-CG 3.23Å; L167-K171 WeakPolarHBondContact O-CG 3.2Å; L167-K171 PolarHBondContact O-N 2.93Å; V168-K171 PolarHBondContact O-N 3.11Å; V169-K171 VanDerWaalsContact C-N 3.26Å; V169-K171 PolarHBondContact O-N 3.13Å; K171-W173 HydrophobicContact CB-CD2 3.57Å; K171-W173 HydrophobicContact CB-CE3 3.92Å; K171-W173 HydrophobicContact CB-CG 3.89Å; K171-W173 HydrophobicContact CB-CH2 4.44Å; K171-W173 HydrophobicContact CB-CZ2 4.13Å; K171-W173 HydrophobicContact CB-CZ3 4.34Å; K171-W173 HydrophobicContact CD-CH2 4.2Å; K171-W173 HydrophobicContact CD-CZ2 4.02Å; K171-W173 HydrophobicContact CG-CD2 4.27Å; K171-W173 HydrophobicContact CG-CE3 4.23Å; K171-W173 HydrophobicContact CG-CH2 4.12Å; K171-W173 HydrophobicContact CG-CZ2 4.15Å; K171-W173 HydrophobicContact CG-CZ3 4.15Å; K171-W173 PolarHBondContact O-N 3.41Å
172G87.9Confident91.9Very high58 Ų5869.4 Ų69.460%0.59837%0.366SS*.THydrogen-bonded Turntrans68.619.9-175.500000113.8V168 V169 Q170V168-G172 PolarHBondContact O-N 3.21Å; V169-G172 PolarHBondContact O-N 2.97Å; Q170-G172 VanDerWaalsContact C-N 3.29Å
173W91.6Very high91.9Very high45 Ų4573.6 Ų73.617%0.1738%0.38CS..PPolyproline II helixtrans-82.7163.4177.8-64.8-19.3000111.3V168 K171 V198 E199 F201 V225V168-W173 HydrophobicContact CG1-CB 3.82Å; V168-W173 HydrophobicContact CG2-CE3 4.29Å; V168-W173 PolarHBondContact O-N 2.8Å; K171-W173 HydrophobicContact CB-CD2 3.57Å; K171-W173 HydrophobicContact CB-CE3 3.92Å; K171-W173 HydrophobicContact CB-CG 3.89Å; K171-W173 HydrophobicContact CB-CH2 4.44Å; K171-W173 HydrophobicContact CB-CZ2 4.13Å; K171-W173 HydrophobicContact CB-CZ3 4.34Å; K171-W173 HydrophobicContact CD-CH2 4.2Å; K171-W173 HydrophobicContact CD-CZ2 4.02Å; K171-W173 HydrophobicContact CG-CD2 4.27Å; K171-W173 HydrophobicContact CG-CE3 4.23Å; K171-W173 HydrophobicContact CG-CH2 4.12Å; K171-W173 HydrophobicContact CG-CZ2 4.15Å; K171-W173 HydrophobicContact CG-CZ3 4.15Å; K171-W173 PolarHBondContact O-N 3.41Å; W173-V198 HydrophobicContact CE3-CG1 3.79Å; W173-V198 HydrophobicContact CZ3-CG1 4.28Å; W173-E199 HydrophobicContact CD2-CB 4.41Å; W173-E199 HydrophobicContact CG-CB 4.44Å; W173-E199 HydrophobicContact CG-CG 4.5Å; W173-F201 HydrophobicContact CH2-CE2 4.37Å; W173-V225 HydrophobicContact CH2-CB 4.3Å; W173-V225 HydrophobicContact CZ3-CB 4.02Å; W173-V225 HydrophobicContact CZ3-CG1 4.02Å
174R90.5Very high91.7Very high113 Ų11374.7 Ų74.743%0.42639%0.386SS..PPolyproline II helixtrans-66.9145.6172.3-66.3-160.4-177.797.1-2.5111.1V168 D266 R269V168-R174 WeakPolarHBondContact CG1-O 3.46Å; R174-D266 IonicContact CZ-OD1 3.65Å; R174-D266 VanDerWaalsContact CZ-OD1 3.26Å; R174-D266 IonicContact NH1-OD1 2.65Å; R174-D266 PolarHBondContact NH1-OD1 3.17Å; R174-D266 IonicContact NH2-OD1 3.04Å; R174-D266 PolarHBondContact NH2-OD1 3.43Å; R174-R269 VanDerWaalsContact NH2-CZ 3.31Å
175L92.6Very high91.5Very high107 Ų10776.6 Ų76.656%0.5641%0.406SS*.PPolyproline II helixtrans-52.7142.7179-66.1178.6000111.8Q165 V169 E177Q165-L175 HydrophobicContact CG-CD2 4.14Å; V169-L175 HydrophobicContact CG2-CD2 3.84Å; L175-E177 PolarHBondContact O-N 2.97Å
176P94.6Very high91.1Very high15 Ų1575.7 Ų75.710%0.09741%0.407CS..PPolyproline II helixtrans-61.3129.6-17924.2-33.1000111.5L164 Q165 Y178 R197 V198L164-P176 HydrophobicContact CD2-CB 4.23Å; Q165-P176 HydrophobicContact CB-CG 4.42Å; P176-Y178 HydrophobicContact CB-CE2 3.91Å; P176-Y178 HydrophobicContact CG-CE2 4.05Å; P176-R197 WeakPolarHBondContact CA-O 3.36Å; P176-V198 HydrophobicContact CB-CG2 3.64Å
177E95.3Very high90.7Very high105 Ų10574 Ų7449%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-93.4140.3173.1-169.7-175.9168.900110L175 C196 R197L175-E177 PolarHBondContact O-N 2.97Å; E177-C196 CarbonylContact O-C 3.57Å; E177-C196 WeakPolarHBondContact O-CA 3.19Å; E177-R197 HydrophobicContact CB-CB 4.35Å; E177-R197 PolarHBondContact N-O 2.94Å; E177-R197 PolarHBondContact O-N 3.47Å
178Y95.4Very high90.3Very high48 Ų4880.7 Ų80.719%0.18844%0.444CS..EExtended strand (participates in β ladder)trans-127.8123.3179-66.1-79.9000111.1V161 P176 M194 T195 C196 K214 A218V161-Y178 HydrophobicContact CG1-CE2 4.35Å; P176-Y178 HydrophobicContact CB-CE2 3.91Å; P176-Y178 HydrophobicContact CG-CE2 4.05Å; Y178-M194 HydrophobicContact CD1-CG 4.13Å; Y178-T195 WeakPolarHBondContact CA-O 3.42Å; Y178-C196 HydrophobicContact CD1-CB 3.84Å; Y178-C196 HydrophobicContact CE1-CB 3.64Å; Y178-C196 WeakPolarHBondContact CE1-SG 3.37Å; Y178-K214 HydrophobicContact CD1-CD 4.32Å; Y178-K214 HydrophobicContact CD1-CG 3.66Å; Y178-K214 HydrophobicContact CD2-CD 4.19Å; Y178-K214 HydrophobicContact CD2-CG 4.37Å; Y178-K214 HydrophobicContact CE1-CD 4.49Å; Y178-K214 HydrophobicContact CE1-CG 3.7Å; Y178-K214 HydrophobicContact CE2-CD 4.36Å; Y178-K214 HydrophobicContact CE2-CG 4.41Å; Y178-K214 HydrophobicContact CG-CD 4.14Å; Y178-K214 HydrophobicContact CG-CG 3.99Å; Y178-A218 HydrophobicContact CE1-CB 4.37Å; Y178-A218 WeakPolarHBondContact OH-CB 3.44Å
179T94.1Very high89.9Confident68 Ų6889.4 Ų89.442%0.41748%0.477SS..EExtended strand (participates in β ladder)trans-129.3130.7-177.7-18.10000110.1T181 T195T179-T181 PolarHBondContact O-N 3.14Å; T179-T195 PolarHBondContact N-O 2.99Å; T179-T195 PolarHBondContact O-N 3.38Å
180V95.1Very high89.8Confident56 Ų5689.9 Ų89.934%0.33947%0.472SS..EExtended strand (participates in β ladder)trans-77.4114.9173.8-178.40000107.5E183 M194 K210V180-E183 HydrophobicContact CG1-CG 3.86Å; V180-M194 HydrophobicContact CG2-CE 3.44Å; V180-M194 VanDerWaalsContact CG2-CE 3.44Å; V180-M194 HydrophobicContact CG2-SD 4.07Å; V180-K210 HydrophobicContact CG2-CD 4.28Å; V180-K210 HydrophobicContact CG2-CG 4.5Å
181T87.8Confident89.9Confident82 Ų8286.6 Ų86.650%0.50346%0.456SS..EExtended strand (participates in β ladder)trans-96.6-27.8-177.442.70000112.9T179 T193 T195T179-T181 PolarHBondContact O-N 3.14Å; T181-T193 PolarHBondContact N-O 3.09Å; T181-T193 PolarHBondContact OG1-O 3.04Å; T181-T195 WeakPolarHBondContact CG2-OG1 3.3Å; T181-T195 PolarHBondContact OG1-OG1 3.31Å
182Q87.4Confident90.3Very high110 Ų11082.5 Ų82.551%0.51444%0.439SS..EExtended strand (participates in β ladder)trans-147.2138.9-179.6-163.4179.80.100111.3F192 T193Q182-F192 WeakPolarHBondContact O-CA 3.36Å; Q182-T193 PolarHBondContact O-N 2.83Å
183E94.2Very high90.5Very high108 Ų10880.9 Ų80.951%0.50542%0.417SS..EExtended strand (participates in β ladder)trans-122.8122.5165.6-53.9-163.2176.800107.8V180 E191 F192 K210V180-E183 HydrophobicContact CG1-CG 3.86Å; E183-E191 WeakPolarHBondContact CA-O 3.31Å; E183-F192 HydrophobicContact CB-CD1 4.33Å; E183-F192 HydrophobicContact CB-CE1 4.41Å; E183-F192 VanDerWaalsContact CD-CE1 3.5Å; E183-F192 HydrophobicContact CG-CD1 3.73Å; E183-F192 HydrophobicContact CG-CE1 3.94Å; E183-F192 WeakPolarHBondContact OE2-CE1 3.47Å; E183-K210 WeakPolarHBondContact OE1-CE 3.3Å; E183-K210 IonicContact OE1-NZ 3.19Å; E183-K210 PolarHBondContact OE1-NZ 3.39Å
184S89.4Confident90.8Very high59 Ų5979.1 Ų79.141%0.41341%0.411SS..EExtended strand (participates in β ladder)trans-137175.4-175.8-170.90000111.1E191S184-E191 PolarHBondContact N-O 3.3Å; S184-E191 PolarHBondContact O-N 2.67Å
185G89.2Confident90.9Very high40 Ų4074.7 Ų74.741%0.41240%0.396SS..SBendtrans84.3161.1174.300000114.8
186P85.6Confident91.1Very high66 Ų6669.6 Ų69.643%0.42937%0.37SS..  trans-68.2158.8-178.829.7-35.1000111.3H188 R189 K190P186-H188 VanDerWaalsContact CB-CE1 3.48Å; P186-H188 WeakPolarHBondContact CB-CE1 3.36Å; P186-H188 PolarHBondContact O-N 3.07Å; P186-R189 HydrophobicContact CG-CB 4.07Å; P186-R189 CarbonylContact O-C 3.5Å; P186-R189 WeakPolarHBondContact O-CA 3.03Å; P186-R189 PolarHBondContact O-N 2.82Å; P186-K190 PolarHBondContact O-N 3.05Å; P186-K190 VanDerWaalsContact O-N 3.13Å
187A85.1Confident91.1Very high85 Ų8574.3 Ų74.370%0.70239%0.385SS*.THydrogen-bonded Turntrans-54.3-31.4-175.600000114.2
188H81.6Confident91Very high170 Ų17069.3 Ų69.379%0.78736%0.362SS*.THydrogen-bonded Turntrans-85.3-4.9178.461.2-93.8000114.2P186P186-H188 VanDerWaalsContact CB-CE1 3.48Å; P186-H188 WeakPolarHBondContact CB-CE1 3.36Å; P186-H188 PolarHBondContact O-N 3.07Å
189R83.8Confident90.7Very high183 Ų18369.5 Ų69.569%0.69137%0.365SS*.SBendtrans-153.262178.7-168.9-179.8172.1146.5-2.6110.2P186P186-R189 HydrophobicContact CG-CB 4.07Å; P186-R189 CarbonylContact O-C 3.5Å; P186-R189 WeakPolarHBondContact O-CA 3.03Å; P186-R189 PolarHBondContact O-N 2.82Å
190K89.5Confident90.3Very high97 Ų9774.4 Ų74.442%0.42238%0.376SS..  trans-67.1145.6177.4-67.7-177175.5-72.60111P186 F192 T208P186-K190 PolarHBondContact O-N 3.05Å; P186-K190 VanDerWaalsContact O-N 3.13Å; K190-F192 HydrophobicContact CB-CD2 4.47Å; K190-F192 HydrophobicContact CB-CE2 3.64Å; K190-F192 HydrophobicContact CB-CZ 4.01Å; K190-F192 HydrophobicContact CD-CE2 4.43Å; K190-F192 HydrophobicContact CD-CZ 4.01Å; K190-T208 VanDerWaalsContact O-CA 3.32Å; K190-T208 WeakPolarHBondContact O-CA 3.49Å
191E92.3Very high90.1Very high98 Ų9872.6 Ų72.646%0.45836%0.363SS..EExtended strand (participates in β ladder)trans-124.4135173.9-176.7163-152.500109.2E183 S184E183-E191 WeakPolarHBondContact CA-O 3.31Å; S184-E191 PolarHBondContact N-O 3.3Å; S184-E191 PolarHBondContact O-N 2.67Å
192F93.9Very high90.3Very high20 Ų2073.6 Ų73.69%0.08836%0.364CS..EExtended strand (participates in β ladder)trans-124.7133.8-178.5-61-92.1000108.7Q182 E183 K190 S206 G207 S209 K210 A213Q182-F192 WeakPolarHBondContact O-CA 3.36Å; E183-F192 HydrophobicContact CB-CD1 4.33Å; E183-F192 HydrophobicContact CB-CE1 4.41Å; E183-F192 VanDerWaalsContact CD-CE1 3.5Å; E183-F192 HydrophobicContact CG-CD1 3.73Å; E183-F192 HydrophobicContact CG-CE1 3.94Å; E183-F192 WeakPolarHBondContact OE2-CE1 3.47Å; K190-F192 HydrophobicContact CB-CD2 4.47Å; K190-F192 HydrophobicContact CB-CE2 3.64Å; K190-F192 HydrophobicContact CB-CZ 4.01Å; K190-F192 HydrophobicContact CD-CE2 4.43Å; K190-F192 HydrophobicContact CD-CZ 4.01Å; F192-S206 CarbonylContact O-C 3.55Å; F192-S206 VanDerWaalsContact O-CA 3.27Å; F192-S206 WeakPolarHBondContact O-CA 3.35Å; F192-G207 PolarHBondContact N-O 3.49Å; F192-G207 PolarHBondContact O-N 3.46Å; F192-S209 VanDerWaalsContact CD2-CA 3.45Å; F192-K210 HydrophobicContact CD1-CD 4.31Å; F192-K210 HydrophobicContact CD1-CG 3.53Å; F192-K210 HydrophobicContact CE1-CD 4.29Å; F192-K210 HydrophobicContact CE1-CG 3.81Å; F192-K210 HydrophobicContact CG-CG 3.96Å; F192-K210 HydrophobicContact CZ-CG 4.43Å; F192-A213 HydrophobicContact CB-CB 4.12Å; F192-A213 VanDerWaalsContact O-CB 3.29Å; F192-A213 WeakPolarHBondContact O-CB 3.14Å
193T92.3Very high90.7Very high24 Ų2470.5 Ų70.515%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-108.6125.6172.6-53.70000108.5T181 Q182 I204T181-T193 PolarHBondContact N-O 3.09Å; T181-T193 PolarHBondContact OG1-O 3.04Å; Q182-T193 PolarHBondContact O-N 2.83Å; T193-I204 HydrophobicContact CG2-CG2 3.22Å
194M97Very high90.6Very high7 Ų769.3 Ų69.33%0.03435%0.346CS..EExtended strand (participates in β ladder)trans-116.4128-179.7-175.369.865.900109.2Y178 V180 I204 G205 A213 K214 A217Y178-M194 HydrophobicContact CD1-CG 4.13Å; V180-M194 HydrophobicContact CG2-CE 3.44Å; V180-M194 VanDerWaalsContact CG2-CE 3.44Å; V180-M194 HydrophobicContact CG2-SD 4.07Å; M194-I204 WeakPolarHBondContact O-CA 3.36Å; M194-G205 PolarHBondContact N-O 2.93Å; M194-G205 PolarHBondContact O-N 3.31Å; M194-A213 HydrophobicContact CB-CB 3.74Å; M194-K214 HydrophobicContact CE-CB 4.31Å; M194-K214 HydrophobicContact CG-CB 4.28Å; M194-A217 HydrophobicContact CB-CB 4.38Å; M194-A217 HydrophobicContact CG-CB 4.37Å
195T93.4Very high90.8Very high21 Ų2166.5 Ų66.513%0.12933%0.327CS..EExtended strand (participates in β ladder)trans-94.9130.6169.8-60.70000109.1Y178 T179 T181 I202 I204Y178-T195 WeakPolarHBondContact CA-O 3.42Å; T179-T195 PolarHBondContact N-O 2.99Å; T179-T195 PolarHBondContact O-N 3.38Å; T181-T195 WeakPolarHBondContact CG2-OG1 3.3Å; T181-T195 PolarHBondContact OG1-OG1 3.31Å; T195-I202 HydrophobicContact CG2-CG2 3.51Å; T195-I204 HydrophobicContact CG2-CG1 4.37Å
196C96.3Very high91Very high0 Ų067.1 Ų67.10%033%0.325CS..EExtended strand (participates in β ladder)trans-108.9128.1172-177.70000108.6E177 Y178 I202 E203 A217 M221E177-C196 CarbonylContact O-C 3.57Å; E177-C196 WeakPolarHBondContact O-CA 3.19Å; Y178-C196 HydrophobicContact CD1-CB 3.84Å; Y178-C196 HydrophobicContact CE1-CB 3.64Å; Y178-C196 WeakPolarHBondContact CE1-SG 3.37Å; C196-I202 WeakPolarHBondContact O-CA 2.96Å; C196-E203 PolarHBondContact N-O 3.39Å; C196-E203 PolarHBondContact O-N 2.97Å; C196-A217 HydrophobicContact CB-CB 3.87Å; C196-M221 HydrophobicContact CB-CE 4.19Å; C196-M221 WeakPolarHBondContact O-CE 3.46Å
197R94.6Very high91.3Very high113 Ų11364.4 Ų64.443%0.42631%0.309SS..EExtended strand (participates in β ladder)trans-117.6125.5176.6-177178.3179.8-175.7-0.9109.7P176 E177 I202P176-R197 WeakPolarHBondContact CA-O 3.36Å; E177-R197 HydrophobicContact CB-CB 4.35Å; E177-R197 PolarHBondContact N-O 2.94Å; E177-R197 PolarHBondContact O-N 3.47Å; R197-I202 HydrophobicContact CG-CG1 4.26Å
198V93.6Very high91.6Very high1 Ų165 Ų651%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-137.2112.9176.7174.80000107.6L164 V168 W173 P176 R200 F201 M221L164-V198 HydrophobicContact CD1-CG2 4.46Å; L164-V198 HydrophobicContact CD2-CG2 4.16Å; L164-V198 HydrophobicContact CG-CG2 4.5Å; V168-V198 HydrophobicContact CG2-CG1 3.51Å; V168-V198 HydrophobicContact CG2-CG2 4.14Å; W173-V198 HydrophobicContact CE3-CG1 3.79Å; W173-V198 HydrophobicContact CZ3-CG1 4.28Å; P176-V198 HydrophobicContact CB-CG2 3.64Å; V198-R200 PolarHBondContact O-N 3.19Å; V198-R200 VanDerWaalsContact O-N 3.13Å; V198-F201 PolarHBondContact N-O 2.97Å; V198-F201 WeakPolarHBondContact O-CA 3.28Å; V198-F201 WeakPolarHBondContact O-CB 3.49Å; V198-F201 PolarHBondContact O-N 3.33Å; V198-M221 HydrophobicContact CB-CE 4.08Å; V198-M221 HydrophobicContact CB-CG 4.22Å; V198-M221 HydrophobicContact CB-SD 4.03Å; V198-M221 HydrophobicContact CG2-CE 4.13Å; V198-M221 HydrophobicContact CG2-CG 3.87Å; V198-M221 HydrophobicContact CG2-SD 4.27Å
199E87.8Confident92.1Very high52 Ų5259.1 Ų59.124%0.24328%0.282CS..THydrogen-bonded Turntrans55.4-118.8179.9-164.552.8-131.900110.6W173 N270W173-E199 HydrophobicContact CD2-CB 4.41Å; W173-E199 HydrophobicContact CG-CB 4.44Å; W173-E199 HydrophobicContact CG-CG 4.5Å; E199-N270 PolarHBondContact OE1-ND2 2.99Å; E199-N270 PolarHBondContact OE2-ND2 3.41Å
200R86Confident92.6Very high171 Ų17155 Ų5565%0.64527%0.269SS*.THydrogen-bonded Turntrans-89.4-5.1174.661.8177.3141.9-141.5-2.6114.5V198V198-R200 PolarHBondContact O-N 3.19Å; V198-R200 VanDerWaalsContact O-N 3.13Å
201F91.9Very high92.8Very high18 Ų1857.8 Ų57.88%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-95.2137-176.3-56-73.3000110.4W173 V198 M221 R224 V225 V228W173-F201 HydrophobicContact CH2-CE2 4.37Å; V198-F201 PolarHBondContact N-O 2.97Å; V198-F201 WeakPolarHBondContact O-CA 3.28Å; V198-F201 WeakPolarHBondContact O-CB 3.49Å; V198-F201 PolarHBondContact O-N 3.33Å; F201-M221 HydrophobicContact CB-CE 4.04Å; F201-M221 HydrophobicContact CB-SD 3.47Å; F201-M221 WeakPolarHBondContact CB-SD 3.43Å; F201-M221 HydrophobicContact CG-SD 4.49Å; F201-M221 WeakPolarHBondContact O-CE 3.31Å; F201-R224 HydrophobicContact CD1-CG 3.82Å; F201-R224 HydrophobicContact CE1-CG 4.42Å; F201-R224 HydrophobicContact CG-CG 4.4Å; F201-V225 HydrophobicContact CB-CG1 4.45Å; F201-V225 HydrophobicContact CD2-CG1 3.68Å; F201-V225 HydrophobicContact CE2-CG1 4.12Å; F201-V225 HydrophobicContact CG-CG1 4.15Å; F201-V228 HydrophobicContact CE1-CB 4.28Å; F201-V228 HydrophobicContact CE1-CG1 4.43Å; F201-V228 HydrophobicContact CE1-CG2 4.15Å; F201-V228 HydrophobicContact CZ-CB 4.21Å; F201-V228 HydrophobicContact CZ-CG1 4.29Å
202I92.4Very high92.7Very high102 Ų10255.7 Ų55.752%0.52327%0.273SS..EExtended strand (participates in β ladder)trans-129.3126.7174.4-58.3176.5000106.7T195 C196 R197T195-I202 HydrophobicContact CG2-CG2 3.51Å; C196-I202 WeakPolarHBondContact O-CA 2.96Å; R197-I202 HydrophobicContact CG-CG1 4.26Å
203E94.8Very high92.8Very high46 Ų4654.8 Ų54.822%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-134146.7177.7-78-63161.700110.8C196 K220 M221 R224C196-E203 PolarHBondContact N-O 3.39Å; C196-E203 PolarHBondContact O-N 2.97Å; E203-K220 HydrophobicContact CB-CB 4.19Å; E203-K220 HydrophobicContact CG-CB 4.31Å; E203-M221 HydrophobicContact CB-CB 4.19Å; E203-M221 HydrophobicContact CB-CE 3.84Å; E203-M221 HydrophobicContact CB-SD 4.39Å; E203-M221 HydrophobicContact CG-CB 4.34Å; E203-M221 HydrophobicContact CG-CE 4.08Å; E203-M221 HydrophobicContact CG-SD 4.07Å; E203-R224 HydrophobicContact CG-CB 4.09Å; E203-R224 HydrophobicContact CG-CG 4.34Å; E203-R224 IonicContact OE1-NE 3.63Å
204I92.6Very high93Very high83 Ų8357.4 Ų57.443%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-120.7124.6-173.2-56.3177.9000110T193 M194 T195 K220T193-I204 HydrophobicContact CG2-CG2 3.22Å; M194-I204 WeakPolarHBondContact O-CA 3.36Å; T195-I204 HydrophobicContact CG2-CG1 4.37Å; I204-K220 VanDerWaalsContact O-CD 3.22Å; I204-K220 WeakPolarHBondContact O-CD 3.34Å; I204-K220 WeakPolarHBondContact O-CE 3.05Å; I204-K220 PolarHBondContact O-NZ 3.01Å
205G93.9Very high92.9Very high0 Ų061.6 Ų61.60%029%0.293CS..EExtended strand (participates in β ladder)trans-117.5132.1175.300000111.9M194M194-G205 PolarHBondContact N-O 2.93Å; M194-G205 PolarHBondContact O-N 3.31Å
206S92.1Very high93Very high53 Ų5363.5 Ų63.537%0.37130%0.303SS..EExtended strand (participates in β ladder)trans-99.3157.5171.857.60000111.5F192 N216F192-S206 CarbonylContact O-C 3.55Å; F192-S206 VanDerWaalsContact O-CA 3.27Å; F192-S206 WeakPolarHBondContact O-CA 3.35Å; S206-N216 PolarHBondContact O-ND2 3.09Å
207G93.3Very high93Very high9 Ų963.5 Ų63.59%0.09330%0.303CS..EExtended strand (participates in β ladder)trans-175.7164.317300000113.3F192 S209F192-G207 PolarHBondContact N-O 3.49Å; F192-G207 PolarHBondContact O-N 3.46Å; G207-S209 PolarHBondContact O-N 3.32Å; G207-S209 VanDerWaalsContact O-N 3.11Å
208T90.6Very high93.1Very high96 Ų9658.1 Ų58.159%0.58928%0.282SS*.SBendtrans-72.2-1.5179.856.50000114.4K190K190-T208 VanDerWaalsContact O-CA 3.32Å; K190-T208 WeakPolarHBondContact O-CA 3.49Å
209S92.9Very high93.1Very high47 Ų4759.8 Ų59.833%0.32930%0.296SS..SBendtrans-149.5155173.965.20000110.2F192 G207 K211 L212 A213F192-S209 VanDerWaalsContact CD2-CA 3.45Å; G207-S209 PolarHBondContact O-N 3.32Å; G207-S209 VanDerWaalsContact O-N 3.11Å; S209-K211 PolarHBondContact O-N 2.94Å; S209-L212 PolarHBondContact O-N 2.89Å; S209-L212 WeakPolarHBondContact OG-CB 3.32Å; S209-L212 PolarHBondContact OG-N 2.97Å; S209-L212 VanDerWaalsContact OG-N 3.14Å; S209-A213 WeakPolarHBondContact O-CB 3.35Å; S209-A213 PolarHBondContact O-N 3.21Å
210K93.3Very high93.4Very high98 Ų9861.9 Ų61.943%0.42631%0.305SS..Hα-helixtrans-54.3-37.1174.4-59.8-175.2-175.9-164.60112.6V180 E183 F192 K214V180-K210 HydrophobicContact CG2-CD 4.28Å; V180-K210 HydrophobicContact CG2-CG 4.5Å; E183-K210 WeakPolarHBondContact OE1-CE 3.3Å; E183-K210 IonicContact OE1-NZ 3.19Å; E183-K210 PolarHBondContact OE1-NZ 3.39Å; F192-K210 HydrophobicContact CD1-CD 4.31Å; F192-K210 HydrophobicContact CD1-CG 3.53Å; F192-K210 HydrophobicContact CE1-CD 4.29Å; F192-K210 HydrophobicContact CE1-CG 3.81Å; F192-K210 HydrophobicContact CG-CG 3.96Å; F192-K210 HydrophobicContact CZ-CG 4.43Å; K210-K214 VanDerWaalsContact O-CB 3.31Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 PolarHBondContact O-N 3.4Å
211K93.8Very high93.9Very high155 Ų15553.8 Ų53.867%0.67427%0.274SS*.Hα-helixtrans-67-42.6177.2-173.5175.8-177.3175.80112.1S209 R215S209-K211 PolarHBondContact O-N 2.94Å; K211-R215 PolarHBondContact O-N 2.95Å
212L91.3Very high93.9Very high54 Ų5454.1 Ų54.128%0.28328%0.277SS..Hα-helixtrans-70.9-43.5178.2-175.960.8000111.5S209 K214 R215 N216S209-L212 PolarHBondContact O-N 2.89Å; S209-L212 WeakPolarHBondContact OG-CB 3.32Å; S209-L212 PolarHBondContact OG-N 2.97Å; S209-L212 VanDerWaalsContact OG-N 3.14Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.98Å; L212-R215 WeakPolarHBondContact O-CB 3.46Å; L212-R215 PolarHBondContact O-N 3.33Å; L212-R215 VanDerWaalsContact O-N 3.15Å; L212-N216 WeakPolarHBondContact O-CB 3.23Å; L212-N216 PolarHBondContact O-N 2.9Å
213A95.6Very high93.8Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-57.1-45.617500000111.3F192 M194 S209 R215 N216 A217F192-A213 HydrophobicContact CB-CB 4.12Å; F192-A213 VanDerWaalsContact O-CB 3.29Å; F192-A213 WeakPolarHBondContact O-CB 3.14Å; M194-A213 HydrophobicContact CB-CB 3.74Å; S209-A213 WeakPolarHBondContact O-CB 3.35Å; S209-A213 PolarHBondContact O-N 3.21Å; A213-R215 PolarHBondContact O-N 2.89Å; A213-N216 PolarHBondContact O-N 3.46Å; A213-A217 WeakPolarHBondContact O-CB 3.18Å; A213-A217 PolarHBondContact O-N 2.98Å
214K95.9Very high93.5Very high79 Ų7958.7 Ų58.734%0.34329%0.294SS..Hα-helixtrans-58.6-47173.3-174.8179.2-65-167.60112.9V161 Y178 M194 K210 L212 N216 A217 A218V161-K214 HydrophobicContact CG1-CD 4.46Å; V161-K214 HydrophobicContact CG2-CG 4.17Å; Y178-K214 HydrophobicContact CD1-CD 4.32Å; Y178-K214 HydrophobicContact CD1-CG 3.66Å; Y178-K214 HydrophobicContact CD2-CD 4.19Å; Y178-K214 HydrophobicContact CD2-CG 4.37Å; Y178-K214 HydrophobicContact CE1-CD 4.49Å; Y178-K214 HydrophobicContact CE1-CG 3.7Å; Y178-K214 HydrophobicContact CE2-CD 4.36Å; Y178-K214 HydrophobicContact CE2-CG 4.41Å; Y178-K214 HydrophobicContact CG-CD 4.14Å; Y178-K214 HydrophobicContact CG-CG 3.99Å; M194-K214 HydrophobicContact CE-CB 4.31Å; M194-K214 HydrophobicContact CG-CB 4.28Å; K210-K214 VanDerWaalsContact O-CB 3.31Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 PolarHBondContact O-N 3.4Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.98Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.01Å; K214-A217 PolarHBondContact O-N 2.93Å; K214-A218 WeakPolarHBondContact O-CB 3.35Å; K214-A218 PolarHBondContact O-N 3.05Å
215R95.9Very high93.2Very high95 Ų9555.1 Ų55.136%0.35828%0.276SS..Hα-helixtrans-59.6-45177.8-173.3-175.3-72.8131-8.7111.5P160 V161 K211 L212 A213 A218 A219P160-R215 HydrophobicContact CG-CB 4.45Å; P160-R215 HydrophobicContact CG-CG 3.29Å; P160-R215 WeakPolarHBondContact CG-O 3.36Å; V161-R215 HydrophobicContact CG2-CB 4.46Å; K211-R215 PolarHBondContact O-N 2.95Å; L212-R215 WeakPolarHBondContact O-CB 3.46Å; L212-R215 PolarHBondContact O-N 3.33Å; L212-R215 VanDerWaalsContact O-N 3.15Å; A213-R215 PolarHBondContact O-N 2.89Å; R215-A218 PolarHBondContact O-N 2.99Å; R215-A219 PolarHBondContact O-N 3.33Å
216N94.4Very high92.6Very high61 Ų6161.2 Ų61.233%0.32630%0.304SS..Hα-helixtrans-67.7-39.7179.8-71.5-10.7000111.9S206 L212 A213 K214 A219 K220S206-N216 PolarHBondContact O-ND2 3.09Å; L212-N216 WeakPolarHBondContact O-CB 3.23Å; L212-N216 PolarHBondContact O-N 2.9Å; A213-N216 PolarHBondContact O-N 3.46Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.01Å; N216-A219 PolarHBondContact O-N 2.81Å; N216-K220 PolarHBondContact O-N 3.2Å; N216-K220 VanDerWaalsContact O-N 3.1Å
217A96.8Very high91.4Very high0 Ų063.4 Ų63.40%032%0.315CS..Hα-helixtrans-62.6-44.2175.300000111M194 C196 A213 K214 A219 K220 M221M194-A217 HydrophobicContact CB-CB 4.38Å; M194-A217 HydrophobicContact CG-CB 4.37Å; C196-A217 HydrophobicContact CB-CB 3.87Å; A213-A217 WeakPolarHBondContact O-CB 3.18Å; A213-A217 PolarHBondContact O-N 2.98Å; K214-A217 PolarHBondContact O-N 2.93Å; A217-A219 PolarHBondContact O-N 3.13Å; A217-K220 PolarHBondContact O-N 2.93Å; A217-M221 WeakPolarHBondContact O-CB 3.44Å; A217-M221 PolarHBondContact O-N 2.78Å
218A96.3Very high89.7Confident0 Ų065.1 Ų65.10%032%0.324CS..Hα-helixtrans-64.4-38.917700000112.8P160 V161 L164 Y178 K214 R215 M221 L222P160-A218 HydrophobicContact CB-CB 4.42Å; V161-A218 HydrophobicContact CB-CB 4.31Å; V161-A218 HydrophobicContact CG2-CB 3.81Å; L164-A218 HydrophobicContact CB-CB 4.48Å; L164-A218 HydrophobicContact CD2-CB 3.99Å; Y178-A218 HydrophobicContact CE1-CB 4.37Å; Y178-A218 WeakPolarHBondContact OH-CB 3.44Å; K214-A218 WeakPolarHBondContact O-CB 3.35Å; K214-A218 PolarHBondContact O-N 3.05Å; R215-A218 PolarHBondContact O-N 2.99Å; A218-M221 PolarHBondContact O-N 2.94Å; A218-L222 WeakPolarHBondContact O-CG 3.4Å; A218-L222 PolarHBondContact O-N 3Å
219A94.3Very high87.8Confident36 Ų3664.9 Ų64.930%0.29832%0.324SS..Hα-helixtrans-63.7-43177.100000112.1P160 R215 N216 A217 L222 L223P160-A219 HydrophobicContact CB-CB 3.86Å; P160-A219 HydrophobicContact CG-CB 4.15Å; R215-A219 PolarHBondContact O-N 3.33Å; N216-A219 PolarHBondContact O-N 2.81Å; A217-A219 PolarHBondContact O-N 3.13Å; A219-L222 PolarHBondContact O-N 2.85Å; A219-L223 PolarHBondContact O-N 2.95Å
220K94.2Very high85.9Confident97 Ų9766.9 Ų66.942%0.42233%0.33SS..Hα-helixtrans-63.8-43.1173.4-71.1-178.5179.7-1740111.9E203 I204 N216 A217 L222 L223 R224E203-K220 HydrophobicContact CB-CB 4.19Å; E203-K220 HydrophobicContact CG-CB 4.31Å; I204-K220 VanDerWaalsContact O-CD 3.22Å; I204-K220 WeakPolarHBondContact O-CD 3.34Å; I204-K220 WeakPolarHBondContact O-CE 3.05Å; I204-K220 PolarHBondContact O-NZ 3.01Å; N216-K220 PolarHBondContact O-N 3.2Å; N216-K220 VanDerWaalsContact O-N 3.1Å; A217-K220 PolarHBondContact O-N 2.93Å; K220-L222 PolarHBondContact O-N 3.33Å; K220-L223 WeakPolarHBondContact O-CB 3.01Å; K220-L223 PolarHBondContact O-N 3.29Å; K220-R224 PolarHBondContact O-N 2.8Å
221M95.3Very high83.4Confident0 Ų069.9 Ų69.90%035%0.351CS..Hα-helixtrans-59.2-45.2176.9-173.862.578.400112L164 C196 V198 F201 E203 A217 A218 L223 R224 V225L164-M221 HydrophobicContact CD1-CB 4.15Å; L164-M221 HydrophobicContact CD1-CG 3.63Å; L164-M221 HydrophobicContact CD2-CB 3.81Å; L164-M221 HydrophobicContact CD2-CG 3.72Å; L164-M221 HydrophobicContact CG-CG 4.34Å; C196-M221 HydrophobicContact CB-CE 4.19Å; C196-M221 WeakPolarHBondContact O-CE 3.46Å; V198-M221 HydrophobicContact CB-CE 4.08Å; V198-M221 HydrophobicContact CB-CG 4.22Å; V198-M221 HydrophobicContact CB-SD 4.03Å; V198-M221 HydrophobicContact CG2-CE 4.13Å; V198-M221 HydrophobicContact CG2-CG 3.87Å; V198-M221 HydrophobicContact CG2-SD 4.27Å; F201-M221 HydrophobicContact CB-CE 4.04Å; F201-M221 HydrophobicContact CB-SD 3.47Å; F201-M221 WeakPolarHBondContact CB-SD 3.43Å; F201-M221 HydrophobicContact CG-SD 4.49Å; F201-M221 WeakPolarHBondContact O-CE 3.31Å; E203-M221 HydrophobicContact CB-CB 4.19Å; E203-M221 HydrophobicContact CB-CE 3.84Å; E203-M221 HydrophobicContact CB-SD 4.39Å; E203-M221 HydrophobicContact CG-CB 4.34Å; E203-M221 HydrophobicContact CG-CE 4.08Å; E203-M221 HydrophobicContact CG-SD 4.07Å; A217-M221 WeakPolarHBondContact O-CB 3.44Å; A217-M221 PolarHBondContact O-N 2.78Å; A218-M221 PolarHBondContact O-N 2.94Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.72Å; M221-R224 WeakPolarHBondContact O-CB 3.47Å; M221-R224 PolarHBondContact O-N 3.35Å; M221-R224 VanDerWaalsContact O-N 3.08Å; M221-V225 HydrophobicContact CG-CG1 4.12Å; M221-V225 WeakPolarHBondContact O-CG1 3.42Å; M221-V225 WeakPolarHBondContact O-CG2 3.22Å; M221-V225 PolarHBondContact O-N 3Å; M221-V225 HydrophobicContact SD-CG1 3.85Å
222L93.4Very high80.8Confident26 Ų2665.8 Ų65.814%0.13635%0.347CS..Hα-helixtrans-53.6-48175.6-82.5170.8000111.9P160 A163 L164 L167 A218 A219 K220 R224 V225 H226P160-L222 HydrophobicContact CB-CD1 3.82Å; P160-L222 WeakPolarHBondContact O-CD1 3.36Å; A163-L222 HydrophobicContact CB-CD1 3.98Å; L164-L222 HydrophobicContact CB-CD1 4.43Å; L164-L222 HydrophobicContact CB-CD2 3.98Å; L164-L222 HydrophobicContact CB-CG 3.93Å; L164-L222 HydrophobicContact CD1-CD2 3.95Å; L164-L222 HydrophobicContact CD1-CG 4.1Å; L167-L222 HydrophobicContact CD2-CD2 3.76Å; A218-L222 WeakPolarHBondContact O-CG 3.4Å; A218-L222 PolarHBondContact O-N 3Å; A219-L222 PolarHBondContact O-N 2.85Å; K220-L222 PolarHBondContact O-N 3.33Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.38Å; L222-V225 WeakPolarHBondContact O-CG2 3.43Å; L222-V225 PolarHBondContact O-N 3.38Å; L222-H226 WeakPolarHBondContact O-CB 3.37Å; L222-H226 PolarHBondContact O-CD2 3.38Å; L222-H226 PolarHBondContact O-N 3.33Å; L222-H226 VanDerWaalsContact O-N 3.07Å
223L90.3Very high79Confident122 Ų12275.3 Ų75.364%0.63938%0.379SS*.Hα-helixtrans-60.4-45.1176.9-64.9169.7000110.9A219 K220 M221 H226 T227A219-L223 PolarHBondContact O-N 2.95Å; K220-L223 WeakPolarHBondContact O-CB 3.01Å; K220-L223 PolarHBondContact O-N 3.29Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.72Å; L223-H226 PolarHBondContact O-N 2.85Å; L223-T227 WeakPolarHBondContact O-CB 3.48Å; L223-T227 WeakPolarHBondContact O-CG2 3.06Å; L223-T227 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-OG1 3.08Å
224R87.6Confident76.3Confident121 Ų12182.3 Ų82.346%0.45742%0.416SS..Hα-helixtrans-63.1-44.6-179-171.160.6162.3158.2-2.4112.8F201 E203 K220 M221 L222 H226 T227 V228F201-R224 HydrophobicContact CD1-CG 3.82Å; F201-R224 HydrophobicContact CE1-CG 4.42Å; F201-R224 HydrophobicContact CG-CG 4.4Å; E203-R224 HydrophobicContact CG-CB 4.09Å; E203-R224 HydrophobicContact CG-CG 4.34Å; E203-R224 IonicContact OE1-NE 3.63Å; K220-R224 PolarHBondContact O-N 2.8Å; M221-R224 WeakPolarHBondContact O-CB 3.47Å; M221-R224 PolarHBondContact O-N 3.35Å; M221-R224 VanDerWaalsContact O-N 3.08Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.38Å; R224-H226 VanDerWaalsContact C-N 3.33Å; R224-T227 PolarHBondContact O-OG1 3.36Å; R224-V228 WeakPolarHBondContact O-CG2 3.5Å; R224-V228 PolarHBondContact O-N 2.84Å
225V86.1Confident74Confident9 Ų982 Ų826%0.05544%0.436CS..Hα-helixtrans-76-20.8-179.2-580000113.3L164 L167 W173 F201 M221 L222L164-V225 HydrophobicContact CD1-CG2 4.35Å; L167-V225 HydrophobicContact CD2-CG2 3.42Å; L167-V225 VanDerWaalsContact CD2-CG2 3.42Å; W173-V225 HydrophobicContact CH2-CB 4.3Å; W173-V225 HydrophobicContact CZ3-CB 4.02Å; W173-V225 HydrophobicContact CZ3-CG1 4.02Å; F201-V225 HydrophobicContact CB-CG1 4.45Å; F201-V225 HydrophobicContact CD2-CG1 3.68Å; F201-V225 HydrophobicContact CE2-CG1 4.12Å; F201-V225 HydrophobicContact CG-CG1 4.15Å; M221-V225 HydrophobicContact CG-CG1 4.12Å; M221-V225 WeakPolarHBondContact O-CG1 3.42Å; M221-V225 WeakPolarHBondContact O-CG2 3.22Å; M221-V225 PolarHBondContact O-N 3Å; M221-V225 HydrophobicContact SD-CG1 3.85Å; L222-V225 WeakPolarHBondContact O-CG2 3.43Å; L222-V225 PolarHBondContact O-N 3.38Å
226H80.7Confident71.4Confident128 Ų12884.3 Ų84.359%0.59346%0.455SS*.Hα-helixtrans-85.5-32.7172.9-84.1-69.7000113.4L167 L222 L223 R224L167-H226 WeakPolarHBondContact CD2-NE2 3.48Å; L222-H226 WeakPolarHBondContact O-CB 3.37Å; L222-H226 PolarHBondContact O-CD2 3.38Å; L222-H226 PolarHBondContact O-N 3.33Å; L222-H226 VanDerWaalsContact O-N 3.07Å; L223-H226 PolarHBondContact O-N 2.85Å; R224-H226 VanDerWaalsContact C-N 3.33Å
227T68.4Low69.2Low98 Ų9889.2 Ų89.260%0.60148%0.476SS*.Hα-helixtrans-82.7-10.3-177.143.40000114.5L223 R224 P229L223-T227 WeakPolarHBondContact O-CB 3.48Å; L223-T227 WeakPolarHBondContact O-CG2 3.06Å; L223-T227 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-OG1 3.08Å; R224-T227 PolarHBondContact O-OG1 3.36Å; T227-P229 WeakPolarHBondContact O-CD 3.38Å
228V57.1Low66.4Low46 Ų4695.9 Ų95.928%0.27952%0.517SS..SBendtrans-105.695.4175.2-176.90000109.2F201 R224 L230F201-V228 HydrophobicContact CE1-CB 4.28Å; F201-V228 HydrophobicContact CE1-CG1 4.43Å; F201-V228 HydrophobicContact CE1-CG2 4.15Å; F201-V228 HydrophobicContact CZ-CB 4.21Å; F201-V228 HydrophobicContact CZ-CG1 4.29Å; R224-V228 WeakPolarHBondContact O-CG2 3.5Å; R224-V228 PolarHBondContact O-N 2.84Å; V228-L230 PolarHBondContact O-N 3.15Å
229P49.5Very low63.8Low91 Ų91104.1 Ų104.159%0.59156%0.555SS**  trans-52.7136.6159.7-20.731000108.8T227 D231T227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-D231 PolarHBondContact O-N 3.17Å
230L53.9Low61.3Low88 Ų88107.9 Ų107.946%0.46158%0.577SS.*THydrogen-bonded Turntrans-65.37-176.5-78.6165.6000114.6V228V228-L230 PolarHBondContact O-N 3.15Å
231D40.8Very low58.5Low161 Ų161110.8 Ų110.886%0.86160%0.597SS**THydrogen-bonded Turntrans-127.727.7-174.1-64.6-49.7000114.6P229P229-D231 PolarHBondContact O-N 3.17Å
232A38.2Very low55.9Low70 Ų70117.5 Ų117.558%0.57963%0.633SS**  trans-120.196.4170.100000110.7D234A232-D234 PolarHBondContact O-N 3.45Å
233R54.4Low53.3Low254 Ų254124.7 Ų124.796%0.95867%0.671SS**  trans-53.7110.7145-99.8178.2149.8179.7-5.5106.4
234D38.3Very low50.9Low146 Ų146126.2 Ų126.278%0.78168%0.675SS**  trans-144.7112.7151.1-150.423.9000108.7A232A232-D234 PolarHBondContact O-N 3.45Å
235G48.6Very low48.1Very low74 Ų74129.7 Ų129.776%0.76369%0.693SS**  trans-77.6117.3165.100000106.5
236N40.6Very low45.7Very low143 Ų143133.1 Ų133.177%0.76572%0.718SS**  trans-148.7141.9153.1-147.710.6000110.8
237E49.5Very low43.6Very low164 Ų164134.4 Ų134.477%0.76673%0.727SS**  trans-82.2152.9-150.9-53.2176.814400113.3
238V36.3Very low42Very low140 Ų140132.9 Ų132.985%0.84873%0.732SS**  trans-147.397139.3-175.20000107.5
239E41.9Very low40.9Very low173 Ų173137.9 Ų137.981%0.80876%0.762SS**  trans-63.9135.2158.8-66.6-76.2108.300109.2
240P42.3Very low40Very low115 Ų115137 Ų13775%0.74777%0.769SS**  trans-107.8127.9152.130.9-19.1000110
241D35.5Very low39.1Very low158 Ų158137.9 Ų137.985%0.84578%0.783SS**  trans-36.7150.6176.1-84.5-70.5000116.8
242D40.4Very low39.4Very low141 Ų141141.6 Ų141.675%0.75479%0.785SS**  trans-47.5135.7174.1-64.7-74.2000115.3
243D38.4Very low39.5Very low177 Ų177146.5 Ų146.595%0.94780%0.8SS**  trans-133.1106.5140.5-93.1-43.5000110.1
244H40.5Very low38.7Very low153 Ų153142.9 Ų142.971%0.70880%0.8SS**  trans-73.3122.5179.9-168.182.4000110.7S246H244-S246 PolarHBondContact CE1-OG 3.3Å; H244-S246 VanDerWaalsContact CE1-OG 3.29Å; H244-S246 PolarHBondContact NE2-OG 3.11Å
245F29.1Very low38.5Very low194 Ų194139.1 Ų139.185%0.85180%0.795SS**  trans-135.198.9158.1-144.1-93.7000110.6I247F245-I247 HydrophobicContact CE1-CD1 4.48Å; F245-I247 HydrophobicContact CE1-CG1 4.48Å
246S36.2Very low38.2Very low81 Ų81142.7 Ų142.757%0.56680%0.796SS**  trans-84.1126.9175.2-70.80000110.6H244H244-S246 PolarHBondContact CE1-OG 3.3Å; H244-S246 VanDerWaalsContact CE1-OG 3.29Å; H244-S246 PolarHBondContact NE2-OG 3.11Å
247I36.4Very low38Very low155 Ų155147.2 Ų147.280%0.79580%0.802SS**  trans-123.7112151.9-71.3178.9000106.9F245F245-I247 HydrophobicContact CE1-CD1 4.48Å; F245-I247 HydrophobicContact CE1-CG1 4.48Å
248G33.7Very low37.4Very low67 Ų67147.2 Ų147.269%0.69181%0.808SS**  trans-90.6144.4177.600000112.4
249V33.4Very low38Very low150 Ų150147.3 Ų147.391%0.90979%0.793SS**  trans-147.1121.7136.8179.40000106.2
250G31.1Very low38.3Very low72 Ų72141.9 Ų141.974%0.74278%0.783SS**  trans-86.4154.8-170.300000115.2
251S35.5Very low38.9Very low107 Ų107142.8 Ų142.875%0.74879%0.789SS**  -169.1109.2125-158.20000111.3
252R47.3Very low40.3Very low240 Ų240136.3 Ų136.391%0.90676%0.76SS**  trans40.783.6142.6-50.1-177.7105.5172.15118.8
253L41Very low42.3Very low173 Ų173129.8 Ų129.891%0.90673%0.725SS**  trans-154.2117.2134.121.283000109.9
254D36.5Very low44.6Very low178 Ų178123 Ų12395%0.95269%0.69SS**  trans-81.6140.3-170.2-145.5-11.6000109.8
255G35.3Very low46.8Very low66 Ų66116.7 Ų116.768%0.6866%0.66SS**  trans12012.4160.700000120.7
256L41.3Very low49.3Very low150 Ų150109.8 Ų109.879%0.78563%0.632SS**  trans-124.560.1177.8-81158.2000113
257R35.7Very low51.7Low237 Ų237108.6 Ų108.689%0.89462%0.624SS**SBendtrans-131.171.6166.4-62.6-174.188.4-164.75.6109.3
258N37.3Very low54Low164 Ų164101.2 Ų101.288%0.87759%0.586SS**  trans172.888.7157.9-90.9-13000108
259R48.4Very low56.5Low142 Ų142100.8 Ų100.854%0.53656%0.563SS.*  trans-134.8124.9158.4-81.1-164.5-175-89.8-9.8108.4H308R259-H308 PolarHBondContact NH2-CD2 3.46Å
260G50Low58.7Low59 Ų5997.1 Ų97.161%0.60854%0.539SS*.  trans-58.9-172.9173.600000112.5G262G260-G262 PolarHBondContact O-N 2.91Å
261P53.1Low61.3Low135 Ų13594.9 Ų94.988%0.87751%0.512SS*.SBendtrans-52.1114.8-174.221.1-31.8000110.2
262G64.9Low63.5Low22 Ų2295.9 Ų95.923%0.22751%0.513CS..  trans-57.8153.8-171.100000113.1G260 T264G260-G262 PolarHBondContact O-N 2.91Å; G262-T264 PolarHBondContact O-N 3.45Å
263C83.3Confident65.3Low3 Ų385.1 Ų85.12%0.0248%0.477CS..EExtended strand (participates in β ladder)trans-70.3103.1178.5-166.90000110.9L268 Q305 F307 T331 Q332C263-L268 WeakPolarHBondContact SG-CD1 3.46Å; C263-Q305 PolarHBondContact SG-O 2.8Å; C263-F307 HydrophobicContact CB-CB 3.63Å; C263-F307 HydrophobicContact CB-CD1 4.14Å; C263-F307 HydrophobicContact CB-CG 4.35Å; C263-T331 CarbonylContact O-C 3.57Å; C263-T331 WeakPolarHBondContact O-CA 3.3Å; C263-Q332 PolarHBondContact O-N 2.85Å
264T87.6Confident67.5Low35 Ų3583.7 Ų83.722%0.21547%0.466CS..EExtended strand (participates in β ladder)trans-89.2161.4178.170.20000111.4G262 D266 S267 L268 Q332G262-T264 PolarHBondContact O-N 3.45Å; T264-D266 PolarHBondContact O-N 3.48Å; T264-D266 PolarHBondContact OG1-N 2.87Å; T264-S267 WeakPolarHBondContact O-CB 3.46Å; T264-S267 PolarHBondContact O-N 3.45Å; T264-S267 VanDerWaalsContact O-N 3.13Å; T264-S267 PolarHBondContact OG1-N 3.36Å; T264-S267 VanDerWaalsContact OG1-N 3.11Å; T264-S267 PolarHBondContact OG1-OG 3.07Å; T264-L268 PolarHBondContact O-N 3.08Å; T264-Q332 HydrophobicContact CG2-CB 4.34Å
265W86.1Confident70Confident21 Ų2179.1 Ų79.18%0.0844%0.437CS..Hα-helixtrans-59.8-26.8171.6-63.5122.5000113.4L268 R269 T331 T335 Y358 L359 M362W265-L268 HydrophobicContact CE3-CD2 4.17Å; W265-L268 HydrophobicContact CZ3-CD2 3.9Å; W265-R269 WeakPolarHBondContact O-CG 3.48Å; W265-R269 PolarHBondContact O-N 3.38Å; W265-R269 VanDerWaalsContact O-N 3.11Å; W265-R269 PolarHBondContact O-NE 3.07Å; W265-R269 VanDerWaalsContact O-NE 3.14Å; W265-T331 HydrophobicContact CH2-CG2 4.28Å; W265-T335 WeakPolarHBondContact CH2-OG1 3.35Å; W265-T335 VanDerWaalsContact CZ2-OG1 3.26Å; W265-T335 WeakPolarHBondContact CZ2-OG1 3.33Å; W265-Y358 AromaticContact CH2-CD1 3.8Å; W265-Y358 HydrophobicContact CH2-CD1 3.8Å; W265-Y358 AromaticContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CZ2-CD1 4.4Å; W265-Y358 AromaticContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ2-CE1 3.45Å; W265-Y358 VanDerWaalsContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ3-CE1 4.27Å; W265-L359 HydrophobicContact CH2-CD2 3.89Å; W265-L359 HydrophobicContact CZ3-CD2 3.69Å; W265-M362 HydrophobicContact CB-CE 4.47Å; W265-M362 HydrophobicContact CD2-CB 3.98Å; W265-M362 HydrophobicContact CD2-CE 3.56Å; W265-M362 HydrophobicContact CD2-CG 4.17Å; W265-M362 HydrophobicContact CE3-CB 3.28Å; W265-M362 HydrophobicContact CE3-CE 4.12Å; W265-M362 HydrophobicContact CE3-CG 3.8Å; W265-M362 HydrophobicContact CG-CE 3.68Å; W265-M362 HydrophobicContact CH2-CB 4.21Å; W265-M362 HydrophobicContact CH2-CG 3.96Å; W265-M362 HydrophobicContact CZ2-CE 4.34Å; W265-M362 HydrophobicContact CZ2-CG 4.29Å; W265-M362 HydrophobicContact CZ3-CB 3.4Å; W265-M362 VanDerWaalsContact CZ3-CB 3.4Å; W265-M362 HydrophobicContact CZ3-CG 3.67Å
266D81Confident72.6Confident49 Ų4976 Ų7626%0.26241%0.405SS..Hα-helixtrans-70-45.7174.3-63.7-42.9000111.3R174 T264 L268 R269 N270R174-D266 IonicContact CZ-OD1 3.65Å; R174-D266 VanDerWaalsContact CZ-OD1 3.26Å; R174-D266 IonicContact NH1-OD1 2.65Å; R174-D266 PolarHBondContact NH1-OD1 3.17Å; R174-D266 IonicContact NH2-OD1 3.04Å; R174-D266 PolarHBondContact NH2-OD1 3.43Å; T264-D266 PolarHBondContact O-N 3.48Å; T264-D266 PolarHBondContact OG1-N 2.87Å; D266-L268 VanDerWaalsContact C-N 3.27Å; D266-L268 PolarHBondContact O-N 3.46Å; D266-R269 PolarHBondContact O-N 3.37Å; D266-R269 IonicContact OD1-CZ 2.77Å; D266-R269 IonicContact OD1-NE 2.84Å; D266-R269 IonicContact OD1-NH2 3.67Å; D266-R269 PolarHBondContact OD1-NH2 3.47Å; D266-N270 PolarHBondContact O-N 3.31Å
267S86.3Confident74.8Confident56 Ų5672.5 Ų72.539%0.39239%0.386SS..Hα-helixtrans-53.8-47.2171.9-51.50000110.5T264 R269 N270 S271T264-S267 WeakPolarHBondContact O-CB 3.46Å; T264-S267 PolarHBondContact O-N 3.45Å; T264-S267 VanDerWaalsContact O-N 3.13Å; T264-S267 PolarHBondContact OG1-N 3.36Å; T264-S267 VanDerWaalsContact OG1-N 3.11Å; T264-S267 PolarHBondContact OG1-OG 3.07Å; S267-R269 PolarHBondContact O-N 2.86Å; S267-N270 PolarHBondContact O-N 2.89Å; S267-S271 WeakPolarHBondContact O-CB 3.48Å; S267-S271 PolarHBondContact O-N 3.49Å
268L85.7Confident77.2Confident0 Ų064.2 Ų64.20%037%0.365CS..Hα-helixtrans-63.8-35.8-179.8-113.877.2000114.4C263 T264 W265 D266 I276 R280 Q305 L359 A363C263-L268 WeakPolarHBondContact SG-CD1 3.46Å; T264-L268 PolarHBondContact O-N 3.08Å; W265-L268 HydrophobicContact CE3-CD2 4.17Å; W265-L268 HydrophobicContact CZ3-CD2 3.9Å; D266-L268 VanDerWaalsContact C-N 3.27Å; D266-L268 PolarHBondContact O-N 3.46Å; L268-I276 HydrophobicContact CD2-CD1 4.35Å; L268-I276 HydrophobicContact CG-CD1 4.23Å; L268-R280 PolarHBondContact O-NH2 2.8Å; L268-Q305 HydrophobicContact CD1-CB 4.17Å; L268-Q305 HydrophobicContact CD1-CG 4.32Å; L268-L359 HydrophobicContact CD2-CB 4.15Å; L268-L359 HydrophobicContact CD2-CD2 3.65Å; L268-L359 HydrophobicContact CD2-CG 4.38Å; L268-A363 HydrophobicContact CB-CB 4.41Å
269R85.9Confident79.6Confident57 Ų5756.9 Ų56.922%0.21533%0.326CS..Hα-helixtrans-76.7-35.8180-79.6180-72.3-124.613112.9R174 W265 D266 S267 R280 M362R174-R269 VanDerWaalsContact NH2-CZ 3.31Å; W265-R269 WeakPolarHBondContact O-CG 3.48Å; W265-R269 PolarHBondContact O-N 3.38Å; W265-R269 VanDerWaalsContact O-N 3.11Å; W265-R269 PolarHBondContact O-NE 3.07Å; W265-R269 VanDerWaalsContact O-NE 3.14Å; D266-R269 PolarHBondContact O-N 3.37Å; D266-R269 IonicContact OD1-CZ 2.77Å; D266-R269 IonicContact OD1-NE 2.84Å; D266-R269 IonicContact OD1-NH2 3.67Å; D266-R269 PolarHBondContact OD1-NH2 3.47Å; S267-R269 PolarHBondContact O-N 2.86Å; R269-R280 PolarHBondContact O-NH1 2.8Å; R269-R280 VanDerWaalsContact O-NH1 3.16Å; R269-R280 PolarHBondContact O-NH2 2.86Å; R269-M362 WeakPolarHBondContact CD-O 3.35Å; R269-M362 WeakPolarHBondContact CG-O 3.37Å
270N80.1Confident81.4Confident74 Ų7453.4 Ų53.440%0.39631%0.313SS..Hα-helixtrans-97-0.8-176.2-61-28.1000112.9E199 D266 S267E199-N270 PolarHBondContact OE1-ND2 2.99Å; E199-N270 PolarHBondContact OE2-ND2 3.41Å; D266-N270 PolarHBondContact O-N 3.31Å; S267-N270 PolarHBondContact O-N 2.89Å
271S84.3Confident82.9Confident24 Ų2455.5 Ų55.517%0.16832%0.318CS..  trans-65.4135.7176-172.70000112.2S267 G273 Q305S267-S271 WeakPolarHBondContact O-CB 3.48Å; S267-S271 PolarHBondContact O-N 3.49Å; S271-G273 PolarHBondContact OG-N 3.37Å; S271-Q305 VanDerWaalsContact OG-CD 3.24Å; S271-Q305 PolarHBondContact OG-NE2 3.15Å; S271-Q305 PolarHBondContact OG-OE1 2.88Å
272V82.6Confident84Confident129 Ų12950.8 Ų50.878%0.78229%0.288SS*.  trans-102.313.4177.2-64.40000112
273G84.6Confident84.4Confident14 Ų1453.9 Ų53.914%0.14431%0.306CS..  trans-63.2142.9178.900000112.7S271 K275 I276 L277 E304S271-G273 PolarHBondContact OG-N 3.37Å; G273-K275 VanDerWaalsContact C-N 3.28Å; G273-K275 PolarHBondContact O-N 2.97Å; G273-I276 WeakPolarHBondContact O-CG2 3.34Å; G273-L277 WeakPolarHBondContact O-CB 3.44Å; G273-L277 WeakPolarHBondContact O-CD1 3.29Å; G273-L277 WeakPolarHBondContact O-CG 3.4Å; G273-L277 PolarHBondContact O-N 3.4Å; G273-E304 VanDerWaalsContact C-OE2 3.29Å; G273-E304 VanDerWaalsContact CA-CD 3.41Å; G273-E304 WeakPolarHBondContact CA-OE1 3.44Å; G273-E304 WeakPolarHBondContact CA-OE2 3.44Å
274E87.6Confident83.4Confident143 Ų14358 Ų5867%0.66833%0.328SS*.Hα-helixtrans-63.1-37.1-178.9-169.7-172.9163.300111.3S278 E304E274-S278 VanDerWaalsContact O-CB 3.23Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.18Å; E274-S278 PolarHBondContact O-OG 2.87Å; E274-E304 PolarHBondContact N-OE2 3.32Å
275K89.8Confident82.2Confident81 Ų8159.5 Ų59.535%0.35235%0.35SS..Hα-helixtrans-72.3-43.8-178.1-53.9-64.6176.8166.80111.5G273 S278 L279 E300 L301 E304G273-K275 VanDerWaalsContact C-N 3.28Å; G273-K275 PolarHBondContact O-N 2.97Å; K275-S278 PolarHBondContact O-N 3.14Å; K275-L279 WeakPolarHBondContact O-CB 3.49Å; K275-L279 PolarHBondContact O-N 3.41Å; K275-E300 HydrophobicContact CD-CB 4.5Å; K275-E300 WeakPolarHBondContact CE-OE2 3.46Å; K275-E300 IonicContact NZ-OE2 2.7Å; K275-E300 PolarHBondContact NZ-OE2 2.95Å; K275-L301 HydrophobicContact CB-CD1 4Å; K275-E304 WeakPolarHBondContact CB-OE1 3.49Å; K275-E304 WeakPolarHBondContact CB-OE2 3.48Å; K275-E304 WeakPolarHBondContact CG-OE2 3.15Å; K275-E304 PolarHBondContact N-OE1 2.95Å; K275-E304 PolarHBondContact N-OE2 3.49Å
276I88.8Confident81.2Confident0 Ų061.5 Ų61.50%037%0.367CS..Hα-helixtrans-66.6-37.5175.4-168.366.8000111.9L268 G273 L279 R280 L301 E304 Q305 A363L268-I276 HydrophobicContact CD2-CD1 4.35Å; L268-I276 HydrophobicContact CG-CD1 4.23Å; G273-I276 WeakPolarHBondContact O-CG2 3.34Å; I276-L279 HydrophobicContact CD1-CD2 4.26Å; I276-L279 PolarHBondContact O-N 3.07Å; I276-R280 VanDerWaalsContact O-CG 3.29Å; I276-R280 WeakPolarHBondContact O-CG 3.49Å; I276-R280 PolarHBondContact O-N 2.88Å; I276-L301 HydrophobicContact CB-CD1 3.87Å; I276-L301 HydrophobicContact CD1-CD1 3.98Å; I276-E304 PolarHBondContact N-OE1 3.36Å; I276-Q305 VanDerWaalsContact CG2-NE2 3.33Å; I276-A363 HydrophobicContact CD1-CB 3.87Å; I276-A363 HydrophobicContact CG1-CB 4.32Å
277L87.9Confident80.5Confident77 Ų7759.8 Ų59.840%0.40336%0.358SS..Hα-helixtrans-66.7-40.9175.3-71172.8000111.7G273 R280 S281G273-L277 WeakPolarHBondContact O-CB 3.44Å; G273-L277 WeakPolarHBondContact O-CD1 3.29Å; G273-L277 WeakPolarHBondContact O-CG 3.4Å; G273-L277 PolarHBondContact O-N 3.4Å; L277-R280 PolarHBondContact O-N 2.86Å; L277-S281 WeakPolarHBondContact O-CB 3.27Å; L277-S281 PolarHBondContact O-N 2.87Å; L277-S281 VanDerWaalsContact O-N 3.08Å; L277-S281 PolarHBondContact O-OG 2.8Å
278S86.6Confident79.4Confident64 Ų6459.8 Ų59.845%0.44837%0.366SS..Hα-helixtrans-62.1-42.8173.4-640000111.4E274 K275 R280 S281 C282E274-S278 VanDerWaalsContact O-CB 3.23Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.18Å; E274-S278 PolarHBondContact O-OG 2.87Å; K275-S278 PolarHBondContact O-N 3.14Å; S278-R280 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact O-N 3.11Å; S278-S281 PolarHBondContact O-N 2.83Å; S278-C282 VanDerWaalsContact O-CB 3.3Å; S278-C282 WeakPolarHBondContact O-CB 3.47Å; S278-C282 PolarHBondContact O-N 2.7Å
279L87.6Confident78.4Confident10 Ų1064.1 Ų64.15%0.05240%0.402CS..Hα-helixtrans-61.6-41.4177-178.266.2000112.1K275 I276 S281 C282 L301 L356 L359 K360K275-L279 WeakPolarHBondContact O-CB 3.49Å; K275-L279 PolarHBondContact O-N 3.41Å; I276-L279 HydrophobicContact CD1-CD2 4.26Å; I276-L279 PolarHBondContact O-N 3.07Å; L279-S281 VanDerWaalsContact C-N 3.35Å; L279-C282 PolarHBondContact O-N 2.95Å; L279-L301 HydrophobicContact CD2-CD2 3.75Å; L279-L356 HydrophobicContact CD1-CB 4.21Å; L279-L356 HydrophobicContact CD1-CD2 4.16Å; L279-L356 HydrophobicContact CD2-CD2 4.25Å; L279-L359 HydrophobicContact CD2-CB 4.14Å; L279-K360 HydrophobicContact CD2-CB 4.31Å; L279-K360 HydrophobicContact CG-CB 4.09Å; L279-K360 HydrophobicContact CG-CG 4.49Å; L279-K360 WeakPolarHBondContact O-CD 3.32Å
280R86.2Confident77.6Confident68 Ų6864.5 Ų64.526%0.25741%0.408SS..Hα-helixtrans-63.4-41.9176.6-70172.7-166.3-169.88.9112.1L268 R269 I276 L277 S278 C282 K360 A363L268-R280 PolarHBondContact O-NH2 2.8Å; R269-R280 PolarHBondContact O-NH1 2.8Å; R269-R280 VanDerWaalsContact O-NH1 3.16Å; R269-R280 PolarHBondContact O-NH2 2.86Å; I276-R280 VanDerWaalsContact O-CG 3.29Å; I276-R280 WeakPolarHBondContact O-CG 3.49Å; I276-R280 PolarHBondContact O-N 2.88Å; L277-R280 PolarHBondContact O-N 2.86Å; S278-R280 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact O-N 3.11Å; R280-C282 VanDerWaalsContact C-N 3.34Å; R280-K360 VanDerWaalsContact O-CE 3.3Å; R280-K360 WeakPolarHBondContact O-CE 3.36Å; R280-A363 PolarHBondContact NE-O 3.43Å
281S81.1Confident77.3Confident103 Ų10362.5 Ų62.572%0.7241%0.406SS*.Hα-helixtrans-77.6-20-177.4-52.60000112.9L277 S278 L279L277-S281 WeakPolarHBondContact O-CB 3.27Å; L277-S281 PolarHBondContact O-N 2.87Å; L277-S281 VanDerWaalsContact O-N 3.08Å; L277-S281 PolarHBondContact O-OG 2.8Å; S278-S281 PolarHBondContact O-N 2.83Å; L279-S281 VanDerWaalsContact C-N 3.35Å
282C77.3Confident76.7Confident36 Ų3666 Ų6624%0.24343%0.427CS..SBendtrans-71.5133.6-177.8-170.20000112.1S278 L279 R280 K360S278-C282 VanDerWaalsContact O-CB 3.3Å; S278-C282 WeakPolarHBondContact O-CB 3.47Å; S278-C282 PolarHBondContact O-N 2.7Å; L279-C282 PolarHBondContact O-N 2.95Å; R280-C282 VanDerWaalsContact C-N 3.34Å; C282-K360 WeakPolarHBondContact O-CE 2.9Å; C282-K360 PolarHBondContact O-NZ 2.84Å
283S71.7Confident76.9Confident88 Ų8861.1 Ų61.162%0.61540%0.401SS*.  trans-70.9139.1177-73.40000111.9G285 S286S283-G285 PolarHBondContact O-N 2.73Å; S283-G285 VanDerWaalsContact O-N 3.11Å; S283-S286 WeakPolarHBondContact O-CB 3.39Å; S283-S286 PolarHBondContact O-N 3.12Å
284L63.2Low77.1Confident90 Ų9060.5 Ų60.547%0.47139%0.394SS..G310 helixtrans-56.5-32.7-175.4-136.773000112.8Q357 K360L284-Q357 HydrophobicContact CD1-CG 4.19Å; L284-K360 HydrophobicContact CD1-CD 3.9Å
285G61.5Low77.3Confident66 Ų6655 Ų5568%0.6837%0.372SS*.G310 helixtrans-71.4-25.3176.100000114.6S283 L287 G288S283-G285 PolarHBondContact O-N 2.73Å; S283-G285 VanDerWaalsContact O-N 3.11Å; G285-L287 VanDerWaalsContact C-N 3.27Å; G285-L287 PolarHBondContact O-N 2.83Å; G285-G288 PolarHBondContact O-N 2.9Å
286S66.4Low77.5Confident63 Ų6358.4 Ų58.444%0.44138%0.382SS..G310 helixtrans-72-23.4177.6-1690000112.4S283 G288S283-S286 WeakPolarHBondContact O-CB 3.39Å; S283-S286 PolarHBondContact O-N 3.12Å; S286-G288 VanDerWaalsContact C-N 3.29Å
287L64.6Low77.6Confident13 Ų1360.5 Ų60.57%0.06840%0.395CS..G310 helixtrans-69.9-26.2174.3-115.178.1000112.8G285 A289 L290 R353 L356G285-L287 VanDerWaalsContact C-N 3.27Å; G285-L287 PolarHBondContact O-N 2.83Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 3.06Å; L287-L290 HydrophobicContact CD1-CD1 4.4Å; L287-L290 PolarHBondContact O-N 2.93Å; L287-R353 HydrophobicContact CB-CG 4.16Å; L287-R353 HydrophobicContact CD2-CG 4.02Å; L287-R353 HydrophobicContact CG-CG 4.4Å; L287-L356 HydrophobicContact CD2-CB 3.65Å; L287-L356 HydrophobicContact CD2-CD1 4.26Å
288G63.1Low77.9Confident55 Ų5556.9 Ų56.957%0.56738%0.376SS*.THydrogen-bonded Turntrans-68.2-29.9178.400000113.4G285 S286G285-G288 PolarHBondContact O-N 2.9Å; S286-G288 VanDerWaalsContact C-N 3.29Å
289A66.1Low78.3Confident92 Ų9256 Ų5676%0.7637%0.37SS*.THydrogen-bonded Turntrans-83.4-12.8-179.600000113.8L287L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 3.06Å
290L68.3Low78.6Confident64 Ų6457.8 Ų57.834%0.33538%0.378SS..  trans-80.8-18.5-172.4-80.8162.2000113.4L287 A293L287-L290 HydrophobicContact CD1-CD1 4.4Å; L287-L290 PolarHBondContact O-N 2.93Å; L290-A293 HydrophobicContact CB-CB 4.3Å; L290-A293 HydrophobicContact CD2-CB 3.93Å; L290-A293 WeakPolarHBondContact O-CA 3.43Å; L290-A293 WeakPolarHBondContact O-CB 3.29Å; L290-A293 PolarHBondContact O-N 3.14Å
291G73.3Confident78.9Confident33 Ų3354.7 Ų54.734%0.3437%0.367SS..THydrogen-bonded Turntrans46.1-123.5175.600000112.9A293 C294G291-A293 PolarHBondContact O-N 2.62Å; G291-C294 WeakPolarHBondContact O-CB 3.34Å; G291-C294 PolarHBondContact O-N 2.93Å; G291-C294 VanDerWaalsContact O-N 3.17Å; G291-C294 PolarHBondContact O-SG 3.1Å
292P73.5Confident79.5Confident96 Ų9650.5 Ų50.562%0.62334%0.337SS*.THydrogen-bonded Turntrans-66.8-16.2179.729.4-34.9000114C294 C295P292-C294 PolarHBondContact O-N 3.23Å; P292-C295 WeakPolarHBondContact O-CB 3.37Å; P292-C295 PolarHBondContact O-N 3Å
293A85.6Confident80.2Confident27 Ų2756.1 Ų56.122%0.22336%0.36CS..Hα-helixtrans-66.1-18.8174.300000112.4L290 G291 C295 R296 V297L290-A293 HydrophobicContact CB-CB 4.3Å; L290-A293 HydrophobicContact CD2-CB 3.93Å; L290-A293 WeakPolarHBondContact O-CA 3.43Å; L290-A293 WeakPolarHBondContact O-CB 3.29Å; L290-A293 PolarHBondContact O-N 3.14Å; G291-A293 PolarHBondContact O-N 2.62Å; A293-C295 VanDerWaalsContact C-N 3.25Å; A293-C295 PolarHBondContact O-N 2.79Å; A293-R296 PolarHBondContact O-N 3.13Å; A293-V297 WeakPolarHBondContact O-CG2 3.49Å; A293-V297 PolarHBondContact O-N 2.83Å
294C89.8Confident81.2Confident1 Ų155 Ų551%0.00735%0.345CS..Hα-helixtrans-59.1-37.3172.8-62.70000112G291 P292 R296 V297 L298 A352 R353 L356G291-C294 WeakPolarHBondContact O-CB 3.34Å; G291-C294 PolarHBondContact O-N 2.93Å; G291-C294 VanDerWaalsContact O-N 3.17Å; G291-C294 PolarHBondContact O-SG 3.1Å; P292-C294 PolarHBondContact O-N 3.23Å; C294-R296 VanDerWaalsContact C-N 3.34Å; C294-R296 PolarHBondContact O-N 3.32Å; C294-V297 PolarHBondContact O-N 3.1Å; C294-L298 WeakPolarHBondContact O-CB 3.43Å; C294-L298 PolarHBondContact O-N 2.72Å; C294-A352 HydrophobicContact CB-CB 4.02Å; C294-R353 HydrophobicContact CB-CB 4.3Å; C294-L356 HydrophobicContact CB-CD1 4.12Å
295C91.6Very high82.4Confident29 Ų2951.5 Ų51.520%0.19633%0.326CS..Hα-helixtrans-61.6-44.5177.2-59.90000111P292 A293 L298 S299P292-C295 WeakPolarHBondContact O-CB 3.37Å; P292-C295 PolarHBondContact O-N 3Å; A293-C295 VanDerWaalsContact C-N 3.25Å; A293-C295 PolarHBondContact O-N 2.79Å; C295-L298 PolarHBondContact O-N 3.31Å; C295-S299 PolarHBondContact O-N 2.82Å; C295-S299 PolarHBondContact O-OG 3.02Å
296R92.5Very high83.7Confident151 Ų15151.6 Ų51.657%0.5732%0.321SS*.Hα-helixtrans-62.5-47.1177.6-178.11746599.1-9.3111.7A293 C294 L298 S299 E300A293-R296 PolarHBondContact O-N 3.13Å; C294-R296 VanDerWaalsContact C-N 3.34Å; C294-R296 PolarHBondContact O-N 3.32Å; R296-L298 VanDerWaalsContact C-N 3.3Å; R296-L298 PolarHBondContact O-N 2.91Å; R296-S299 PolarHBondContact O-N 2.98Å; R296-E300 WeakPolarHBondContact CG-OE1 3.33Å; R296-E300 IonicContact CZ-OE1 2.72Å; R296-E300 IonicContact NH1-OE1 3.65Å; R296-E300 PolarHBondContact NH1-OE1 2.87Å; R296-E300 WeakPolarHBondContact O-CG 3.16Å; R296-E300 PolarHBondContact O-N 2.86Å
297V92.6Very high85Confident45 Ų4548.9 Ų48.927%0.27330%0.301SS..Hα-helixtrans-61.5-40.6177.7175.70000111.2A293 C294 E300 L301 L356A293-V297 WeakPolarHBondContact O-CG2 3.49Å; A293-V297 PolarHBondContact O-N 2.83Å; C294-V297 PolarHBondContact O-N 3.1Å; V297-E300 PolarHBondContact O-N 2.87Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 PolarHBondContact O-N 3.25Å; V297-L356 HydrophobicContact CB-CD1 4.06Å; V297-L356 HydrophobicContact CG1-CD1 3.95Å; V297-L356 HydrophobicContact CG1-CD2 4.04Å
298L94Very high86.4Confident0 Ų052 Ų520%032%0.315CS..Hα-helixtrans-66.7-38.6177.4-17560.2000112.1C294 C295 R296 L301 S302 F307 V309 V327 L329 A352 A355 L356 L359C294-L298 WeakPolarHBondContact O-CB 3.43Å; C294-L298 PolarHBondContact O-N 2.72Å; C295-L298 PolarHBondContact O-N 3.31Å; R296-L298 VanDerWaalsContact C-N 3.3Å; R296-L298 PolarHBondContact O-N 2.91Å; L298-L301 PolarHBondContact O-N 3.41Å; L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.38Å; L298-F307 HydrophobicContact CD1-CE2 4.32Å; L298-F307 HydrophobicContact CD1-CZ 4.36Å; L298-V309 HydrophobicContact CD2-CG1 3.93Å; L298-V309 HydrophobicContact CG-CG1 4.28Å; L298-V309 HydrophobicContact CG-CG2 4.09Å; L298-V327 HydrophobicContact CD2-CG2 4.13Å; L298-L329 HydrophobicContact CD1-CD2 4.21Å; L298-L329 HydrophobicContact CD2-CD2 4.15Å; L298-A352 HydrophobicContact CD2-CB 3.88Å; L298-A355 HydrophobicContact CD1-CB 4.38Å; L298-A355 HydrophobicContact CD2-CB 3.85Å; L298-L356 HydrophobicContact CB-CD1 4.41Å; L298-L356 HydrophobicContact CB-CD2 4.09Å; L298-L356 HydrophobicContact CB-CG 4.13Å; L298-L356 HydrophobicContact CD1-CD2 3.84Å; L298-L356 HydrophobicContact CD1-CG 4.15Å; L298-L359 HydrophobicContact CD1-CD1 3.78Å
299S93.4Very high87.9Confident47 Ų4750.3 Ų50.333%0.32929%0.294SS..Hα-helixtrans-62.5-50.3172.8-66.70000111.8C295 R296 L301 S302 E303C295-S299 PolarHBondContact O-N 2.82Å; C295-S299 PolarHBondContact O-OG 3.02Å; R296-S299 PolarHBondContact O-N 2.98Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 2.85Å; S299-S302 WeakPolarHBondContact O-CB 3.49Å; S299-S302 PolarHBondContact O-N 3.27Å; S299-S302 PolarHBondContact O-OG 3.09Å; S299-E303 PolarHBondContact O-N 3.33Å; S299-E303 VanDerWaalsContact O-N 3.09Å
300E93.9Very high89.3Confident47 Ų4748.2 Ų48.222%0.2227%0.273CS..Hα-helixtrans-56.5-41.3176.7-71.1176-156.700111.5K275 R296 V297 E304K275-E300 HydrophobicContact CD-CB 4.5Å; K275-E300 WeakPolarHBondContact CE-OE2 3.46Å; K275-E300 IonicContact NZ-OE2 2.7Å; K275-E300 PolarHBondContact NZ-OE2 2.95Å; R296-E300 WeakPolarHBondContact CG-OE1 3.33Å; R296-E300 IonicContact CZ-OE1 2.72Å; R296-E300 IonicContact NH1-OE1 3.65Å; R296-E300 PolarHBondContact NH1-OE1 2.87Å; R296-E300 WeakPolarHBondContact O-CG 3.16Å; R296-E300 PolarHBondContact O-N 2.86Å; V297-E300 PolarHBondContact O-N 2.87Å; E300-E304 PolarHBondContact O-N 3.33Å; E300-E304 VanDerWaalsContact O-N 3.14Å
301L93.2Very high90.6Very high3 Ų347.8 Ų47.82%0.01627%0.268CS..Hα-helixtrans-68.1-36177.1-170.769.7000112.6K275 I276 L279 V297 L298 S299 E303 E304 Q305 F307 L356 L359K275-L301 HydrophobicContact CB-CD1 4Å; I276-L301 HydrophobicContact CB-CD1 3.87Å; I276-L301 HydrophobicContact CD1-CD1 3.98Å; L279-L301 HydrophobicContact CD2-CD2 3.75Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 PolarHBondContact O-N 3.25Å; L298-L301 PolarHBondContact O-N 3.41Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 2.85Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E304 PolarHBondContact O-N 2.92Å; L301-Q305 HydrophobicContact CD1-CG 4Å; L301-Q305 HydrophobicContact CG-CG 4.21Å; L301-Q305 WeakPolarHBondContact O-CB 3.22Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 2.78Å; L301-F307 HydrophobicContact CB-CZ 4.49Å; L301-F307 HydrophobicContact CD2-CZ 4.29Å; L301-F307 HydrophobicContact CG-CE1 4.28Å; L301-F307 HydrophobicContact CG-CZ 4.2Å; L301-L356 HydrophobicContact CD2-CD2 3.97Å; L301-L359 HydrophobicContact CD2-CD1 3.51Å
302S93.6Very high91.7Very high15 Ų1551.2 Ų51.211%0.10528%0.278CS..Hα-helixtrans-66.9-36.5179.377.90000112.6L298 S299 A306 F307 V309L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.38Å; S299-S302 WeakPolarHBondContact O-CB 3.49Å; S299-S302 PolarHBondContact O-N 3.27Å; S299-S302 PolarHBondContact O-OG 3.09Å; S302-A306 WeakPolarHBondContact O-CA 3.32Å; S302-A306 PolarHBondContact O-N 2.96Å; S302-F307 VanDerWaalsContact CB-CE2 3.43Å; S302-F307 WeakPolarHBondContact CB-O 3.22Å; S302-F307 PolarHBondContact O-N 2.98Å; S302-V309 VanDerWaalsContact CB-CG2 3.46Å
303E92Very high92.7Very high154 Ų15449 Ų4972%0.7226%0.261SS*.Hα-helixtrans-67.3-45.8173.1-68.5172.1-170.200110.9S299 L301 Q305S299-E303 PolarHBondContact O-N 3.33Å; S299-E303 VanDerWaalsContact O-N 3.09Å; L301-E303 VanDerWaalsContact C-N 3.34Å; E303-Q305 PolarHBondContact O-N 3.43Å
304E92.3Very high93.1Very high65 Ų6550.6 Ų50.630%0.30427%0.265SS..Hα-helixtrans-63.6-41.4179.9-172.4-176.279.200112.6G273 E274 K275 I276 E300 L301G273-E304 VanDerWaalsContact C-OE2 3.29Å; G273-E304 VanDerWaalsContact CA-CD 3.41Å; G273-E304 WeakPolarHBondContact CA-OE1 3.44Å; G273-E304 WeakPolarHBondContact CA-OE2 3.44Å; E274-E304 PolarHBondContact N-OE2 3.32Å; K275-E304 WeakPolarHBondContact CB-OE1 3.49Å; K275-E304 WeakPolarHBondContact CB-OE2 3.48Å; K275-E304 WeakPolarHBondContact CG-OE2 3.15Å; K275-E304 PolarHBondContact N-OE1 2.95Å; K275-E304 PolarHBondContact N-OE2 3.49Å; I276-E304 PolarHBondContact N-OE1 3.36Å; E300-E304 PolarHBondContact O-N 3.33Å; E300-E304 VanDerWaalsContact O-N 3.14Å; L301-E304 PolarHBondContact O-N 2.92Å
305Q89.7Confident93.1Very high16 Ų1660 Ų608%0.07531%0.308CS..THydrogen-bonded Turntrans-98.85.4-174.3-55.2-58.4-41.200113.2C263 L268 S271 I276 L301 E303 F307C263-Q305 PolarHBondContact SG-O 2.8Å; L268-Q305 HydrophobicContact CD1-CB 4.17Å; L268-Q305 HydrophobicContact CD1-CG 4.32Å; S271-Q305 VanDerWaalsContact OG-CD 3.24Å; S271-Q305 PolarHBondContact OG-NE2 3.15Å; S271-Q305 PolarHBondContact OG-OE1 2.88Å; I276-Q305 VanDerWaalsContact CG2-NE2 3.33Å; L301-Q305 HydrophobicContact CD1-CG 4Å; L301-Q305 HydrophobicContact CG-CG 4.21Å; L301-Q305 WeakPolarHBondContact O-CB 3.22Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 2.78Å; E303-Q305 PolarHBondContact O-N 3.43Å; Q305-F307 HydrophobicContact CB-CD1 3.63Å; Q305-F307 HydrophobicContact CB-CE1 3.63Å; Q305-F307 HydrophobicContact CG-CE1 4.19Å; Q305-F307 PolarHBondContact O-N 2.91Å
306A89.3Confident93.2Very high68 Ų6866 Ų6656%0.56233%0.333SS*.THydrogen-bonded Turntrans5446.2179.100000114.7S302S302-A306 WeakPolarHBondContact O-CA 3.32Å; S302-A306 PolarHBondContact O-N 2.96Å
307F92.6Very high93.1Very high5 Ų563.8 Ų63.82%0.02233%0.332CS..  trans-116.2161.616762.4-93.4000111.9C263 L298 L301 S302 Q305 V309 L329 T331 L359C263-F307 HydrophobicContact CB-CB 3.63Å; C263-F307 HydrophobicContact CB-CD1 4.14Å; C263-F307 HydrophobicContact CB-CG 4.35Å; L298-F307 HydrophobicContact CD1-CE2 4.32Å; L298-F307 HydrophobicContact CD1-CZ 4.36Å; L301-F307 HydrophobicContact CB-CZ 4.49Å; L301-F307 HydrophobicContact CD2-CZ 4.29Å; L301-F307 HydrophobicContact CG-CE1 4.28Å; L301-F307 HydrophobicContact CG-CZ 4.2Å; S302-F307 VanDerWaalsContact CB-CE2 3.43Å; S302-F307 WeakPolarHBondContact CB-O 3.22Å; S302-F307 PolarHBondContact O-N 2.98Å; Q305-F307 HydrophobicContact CB-CD1 3.63Å; Q305-F307 HydrophobicContact CB-CE1 3.63Å; Q305-F307 HydrophobicContact CG-CE1 4.19Å; Q305-F307 PolarHBondContact O-N 2.91Å; F307-V309 HydrophobicContact CD2-CG2 4.01Å; F307-V309 HydrophobicContact CE2-CG2 3.68Å; F307-L329 HydrophobicContact CD2-CB 4.26Å; F307-L329 HydrophobicContact CE2-CB 4.47Å; F307-L329 HydrophobicContact CE2-CD1 4.49Å; F307-L329 HydrophobicContact CE2-CD2 4.08Å; F307-T331 HydrophobicContact CG-CG2 4.48Å; F307-L359 HydrophobicContact CE1-CD1 4.44Å; F307-L359 HydrophobicContact CE2-CD1 4.44Å; F307-L359 HydrophobicContact CZ-CD1 3.76Å
308H93.2Very high93Very high80 Ų8062.6 Ų62.637%0.3733%0.326SS..  trans-95.2146.5174.5-169.6-111.3000111.1R259 L329 S330R259-H308 PolarHBondContact NH2-CD2 3.46Å; H308-L329 WeakPolarHBondContact O-CA 3.32Å; H308-S330 PolarHBondContact N-OG 3.43Å; H308-S330 PolarHBondContact O-N 3.4Å
309V95.6Very high92.8Very high19 Ų1971.8 Ų71.812%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-119.4118.7172.6-174.90000107.8L298 S302 F307 Y311 V327 E328 L329L298-V309 HydrophobicContact CD2-CG1 3.93Å; L298-V309 HydrophobicContact CG-CG1 4.28Å; L298-V309 HydrophobicContact CG-CG2 4.09Å; S302-V309 VanDerWaalsContact CB-CG2 3.46Å; F307-V309 HydrophobicContact CD2-CG2 4.01Å; F307-V309 HydrophobicContact CE2-CG2 3.68Å; V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE2 3.53Å; V309-V327 HydrophobicContact CG1-CG2 3.48Å; V309-V327 VanDerWaalsContact CG1-CG2 3.48Å; V309-E328 WeakPolarHBondContact CA-O 3.39Å; V309-L329 HydrophobicContact CB-CD2 4.42Å; V309-L329 HydrophobicContact CG1-CD2 4.08Å; V309-L329 HydrophobicContact CG2-CD2 3.93Å
310S95.8Very high92.7Very high48 Ų4873.8 Ų73.834%0.33639%0.388SS..EExtended strand (participates in β ladder)trans-113.8135174-171.30000109.6V327 E328S310-V327 CarbonylContact O-C 3.55Å; S310-V327 VanDerWaalsContact O-CA 3.32Å; S310-V327 WeakPolarHBondContact O-CA 3.28Å; S310-E328 PolarHBondContact N-O 3.3Å; S310-E328 PolarHBondContact O-N 2.96Å
311Y95.7Very high92.7Very high55 Ų5573.7 Ų73.722%0.21640%0.4CS..EExtended strand (participates in β ladder)trans-109.6132.7174.3-67-89.8000109.6V309 L326 V327 R348 A352V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE2 3.53Å; Y311-L326 CarbonylContact C-O 3.5Å; Y311-L326 WeakPolarHBondContact CA-O 3.34Å; Y311-V327 HydrophobicContact CD1-CB 3.91Å; Y311-V327 HydrophobicContact CD1-CG2 3.91Å; Y311-V327 HydrophobicContact CE1-CB 3.88Å; Y311-V327 HydrophobicContact CE1-CG2 3.65Å; Y311-V327 HydrophobicContact CE2-CG2 4.48Å; Y311-V327 HydrophobicContact CG-CG2 4.44Å; Y311-R348 HydrophobicContact CD1-CB 4.4Å; Y311-R348 HydrophobicContact CD1-CG 4.13Å; Y311-A352 HydrophobicContact CE1-CB 4.26Å
312L96.5Very high92.8Very high105 Ų10575.8 Ų75.855%0.5541%0.411SS..EExtended strand (participates in β ladder)trans-120.8106174.7178.765.3000108.4C325 L326L312-C325 WeakPolarHBondContact O-CA 3.29Å; L312-L326 HydrophobicContact CB-CB 4.36Å; L312-L326 HydrophobicContact CD2-CD1 4.46Å; L312-L326 PolarHBondContact N-O 3.12Å; L312-L326 PolarHBondContact O-N 3.43Å
313D94.1Very high92.8Very high50 Ų5076.1 Ų76.127%0.26741%0.413SS..EExtended strand (participates in β ladder)trans-79.1132.2173.1-61-25.1000109.3C325 R348D313-C325 PolarHBondContact OD1-SG 2.89Å; D313-R348 VanDerWaalsContact CG-NE 3.34Å; D313-R348 WeakPolarHBondContact OD1-CG 3.4Å; D313-R348 IonicContact OD1-CZ 2.63Å; D313-R348 IonicContact OD1-NE 2.81Å; D313-R348 PolarHBondContact OD1-NE 3.4Å; D313-R348 IonicContact OD1-NH2 2.72Å; D313-R348 IonicContact OD2-CZ 3.63Å; D313-R348 IonicContact OD2-NE 3.37Å; D313-R348 PolarHBondContact OD2-NE 3.11Å; D313-R348 IonicContact OD2-NH2 3.94Å; D313-R348 PolarHBondContact OD2-NH2 3.37Å
314I94.3Very high93Very high60 Ų6071 Ų7131%0.30839%0.389SS..EExtended strand (participates in β ladder)trans-93.5119.7176.6-58.6172.7000107E316 Q324 L326I314-E316 HydrophobicContact CG2-CB 4.2Å; I314-E316 PolarHBondContact O-N 3.02Å; I314-Q324 HydrophobicContact CB-CB 4Å; I314-Q324 HydrophobicContact CD1-CB 4.04Å; I314-Q324 HydrophobicContact CG1-CB 4.43Å; I314-Q324 PolarHBondContact N-O 3.48Å; I314-L326 HydrophobicContact CD1-CD1 4.32Å; I314-L326 HydrophobicContact CD1-CG 4.2Å
315E90.3Very high93.2Very high198 Ų19867.9 Ų67.993%0.92537%0.374SS*.SBendtrans-63.7-32.6-178.5-65.4-174.4169.700112.2
316E91.9Very high93.6Very high154 Ų15469.6 Ų69.672%0.7238%0.384SS*.SBendtrans-74.3129.7177.3-65.6-178.3-173.500112.2I314 Q324I314-E316 HydrophobicContact CG2-CB 4.2Å; I314-E316 PolarHBondContact O-N 3.02Å; E316-Q324 PolarHBondContact O-NE2 3.49Å
317L91.7Very high93.9Very high105 Ų10566.4 Ų66.455%0.5536%0.357SS..PPolyproline II helixtrans-69.2144.7171.1-61.8176.3000110.2
318S90.3Very high94.1Very high20 Ų2071 Ų7114%0.1438%0.378CS..PPolyproline II helixtrans-60.5166.7170.458.10000111.6S320 G321 L322S318-S320 PolarHBondContact O-N 3.26Å; S318-S320 PolarHBondContact OG-OG 2.96Å; S318-S320 VanDerWaalsContact OG-OG 3.07Å; S318-G321 WeakPolarHBondContact O-CA 3.14Å; S318-G321 PolarHBondContact O-N 3.09Å; S318-L322 PolarHBondContact N-O 2.95Å; S318-L322 WeakPolarHBondContact OG-CA 3.24Å; S318-L322 VanDerWaalsContact OG-CB 3.32Å; S318-L322 WeakPolarHBondContact OG-CB 3.27Å; S318-L322 PolarHBondContact OG-N 3.44Å; S318-L322 PolarHBondContact OG-O 3.35Å
319L89.7Confident94.2Very high194 Ų19467.1 Ų67.1100%1.01636%0.361SS*.THydrogen-bonded Turntrans-56.9-22.8175.3-61.8176.5000113.5
320S91.8Very high94Very high89 Ų8968.2 Ų68.262%0.62237%0.369SS*.THydrogen-bonded Turntrans-906.6174.350.70000114.2S318S318-S320 PolarHBondContact O-N 3.26Å; S318-S320 PolarHBondContact OG-OG 2.96Å; S318-S320 VanDerWaalsContact OG-OG 3.07Å
321G92.8Very high93.7Very high44 Ų4466.1 Ų66.145%0.45435%0.354SS..SBendtrans7517.8-17900000115S318S318-G321 WeakPolarHBondContact O-CA 3.14Å; S318-G321 PolarHBondContact O-N 3.09Å
322L94.9Very high93.2Very high48 Ų4868.9 Ų68.925%0.25137%0.369SS..  trans-94.9142-180-55.5176000111.4S318 A341 T342S318-L322 PolarHBondContact N-O 2.95Å; S318-L322 WeakPolarHBondContact OG-CA 3.24Å; S318-L322 VanDerWaalsContact OG-CB 3.32Å; S318-L322 WeakPolarHBondContact OG-CB 3.27Å; S318-L322 PolarHBondContact OG-N 3.44Å; S318-L322 PolarHBondContact OG-O 3.35Å; L322-A341 CarbonylContact C-O 3.58Å; L322-A341 WeakPolarHBondContact CA-O 3.31Å; L322-A341 WeakPolarHBondContact CB-O 3.31Å; L322-T342 HydrophobicContact CD2-CG2 3.84Å
323C95.1Very high92.8Very high22 Ų2268.3 Ų68.315%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-62145.3167.2-600000110.4S340 A341 R344 A347C323-S340 CarbonylContact O-C 3.6Å; C323-S340 WeakPolarHBondContact O-CA 3.11Å; C323-A341 WeakPolarHBondContact CA-O 3.44Å; C323-A341 WeakPolarHBondContact CB-O 3.48Å; C323-A341 PolarHBondContact N-O 2.99Å; C323-A341 PolarHBondContact O-N 3.27Å; C323-R344 HydrophobicContact CB-CG 4.36Å; C323-A347 HydrophobicContact CB-CB 4.19Å; C323-A347 WeakPolarHBondContact O-CB 3.44Å
324Q96.3Very high92.5Very high45 Ų4569 Ų6921%0.2139%0.385CS..EExtended strand (participates in β ladder)trans-125.6145.2-175.7-62.4176.3103.600110.8I314 E316 G339I314-Q324 HydrophobicContact CB-CB 4Å; I314-Q324 HydrophobicContact CD1-CB 4.04Å; I314-Q324 HydrophobicContact CG1-CB 4.43Å; I314-Q324 PolarHBondContact N-O 3.48Å; E316-Q324 PolarHBondContact O-NE2 3.49Å; Q324-G339 WeakPolarHBondContact CA-O 3.36Å
325C95.9Very high92.4Very high0 Ų066.5 Ų66.50%037%0.372CS..EExtended strand (participates in β ladder)trans-144.5140.8177.6-1750000110.2L312 D313 H338 G339 A347 R348 A351L312-C325 WeakPolarHBondContact O-CA 3.29Å; D313-C325 PolarHBondContact OD1-SG 2.89Å; C325-H338 CarbonylContact O-C 3.08Å; C325-H338 WeakPolarHBondContact O-CA 3.25Å; C325-G339 PolarHBondContact N-O 3.41Å; C325-G339 PolarHBondContact O-N 2.82Å; C325-A347 HydrophobicContact CB-CB 4.09Å; C325-R348 HydrophobicContact CB-CG 4.21Å; C325-R348 WeakPolarHBondContact SG-CG 3.41Å; C325-A351 HydrophobicContact CB-CB 4.42Å
326L97.1Very high92.7Very high53 Ų5361.2 Ų61.228%0.27735%0.353SS..EExtended strand (participates in β ladder)trans-107.8137.4168.4-64.2174.5000109.3Y311 L312 I314 V336 C337 H338Y311-L326 CarbonylContact C-O 3.5Å; Y311-L326 WeakPolarHBondContact CA-O 3.34Å; L312-L326 HydrophobicContact CB-CB 4.36Å; L312-L326 HydrophobicContact CD2-CD1 4.46Å; L312-L326 PolarHBondContact N-O 3.12Å; L312-L326 PolarHBondContact O-N 3.43Å; I314-L326 HydrophobicContact CD1-CD1 4.32Å; I314-L326 HydrophobicContact CD1-CG 4.2Å; L326-V336 HydrophobicContact CB-CG1 4.35Å; L326-V336 HydrophobicContact CD2-CG1 4.19Å; L326-C337 CarbonylContact C-O 3.56Å; L326-C337 WeakPolarHBondContact CA-O 3.47Å; L326-H338 HydrophobicContact CD2-CB 3.69Å
327V97Very high92.9Very high0 Ų054.7 Ų54.70%032%0.324CS..EExtended strand (participates in β ladder)trans-113.9125.9168.3650000109.3L298 V309 S310 Y311 L329 V336 C337 A351 A355L298-V327 HydrophobicContact CD2-CG2 4.13Å; V309-V327 HydrophobicContact CG1-CG2 3.48Å; V309-V327 VanDerWaalsContact CG1-CG2 3.48Å; S310-V327 CarbonylContact O-C 3.55Å; S310-V327 VanDerWaalsContact O-CA 3.32Å; S310-V327 WeakPolarHBondContact O-CA 3.28Å; Y311-V327 HydrophobicContact CD1-CB 3.91Å; Y311-V327 HydrophobicContact CD1-CG2 3.91Å; Y311-V327 HydrophobicContact CE1-CB 3.88Å; Y311-V327 HydrophobicContact CE1-CG2 3.65Å; Y311-V327 HydrophobicContact CE2-CG2 4.48Å; Y311-V327 HydrophobicContact CG-CG2 4.44Å; V327-L329 HydrophobicContact CG2-CD2 4.07Å; V327-V336 CarbonylContact O-C 3.52Å; V327-V336 VanDerWaalsContact O-CA 3.27Å; V327-V336 WeakPolarHBondContact O-CA 3.46Å; V327-C337 HydrophobicContact CG1-CB 3.65Å; V327-C337 PolarHBondContact N-O 2.73Å; V327-C337 PolarHBondContact O-N 3.03Å; V327-A351 HydrophobicContact CB-CB 4.19Å; V327-A351 HydrophobicContact CG1-CB 3.91Å; V327-A351 WeakPolarHBondContact CG1-O 3.35Å; V327-A355 HydrophobicContact CG1-CB 3.79Å
328E96.2Very high93.2Very high101 Ų10152.7 Ų52.747%0.47231%0.312SS..EExtended strand (participates in β ladder)trans-105.3128.8174.3-177.5-175.4-171.200109.6V309 S310 T335 V336V309-E328 WeakPolarHBondContact CA-O 3.39Å; S310-E328 PolarHBondContact N-O 3.3Å; S310-E328 PolarHBondContact O-N 2.96Å; E328-T335 CarbonylContact C-O 3.59Å; E328-T335 WeakPolarHBondContact CA-O 3.36Å; E328-V336 HydrophobicContact CB-CG2 4.28Å; E328-V336 HydrophobicContact CG-CG2 4.14Å
329L94.8Very high93.3Very high0 Ų051.8 Ų51.80%031%0.305CS..EExtended strand (participates in β ladder)trans-106.9130.4172.1-42.2179.3000108.8L298 F307 H308 V309 V327 T331 T335 A355 L359L298-L329 HydrophobicContact CD1-CD2 4.21Å; L298-L329 HydrophobicContact CD2-CD2 4.15Å; F307-L329 HydrophobicContact CD2-CB 4.26Å; F307-L329 HydrophobicContact CE2-CB 4.47Å; F307-L329 HydrophobicContact CE2-CD1 4.49Å; F307-L329 HydrophobicContact CE2-CD2 4.08Å; H308-L329 WeakPolarHBondContact O-CA 3.32Å; V309-L329 HydrophobicContact CB-CD2 4.42Å; V309-L329 HydrophobicContact CG1-CD2 4.08Å; V309-L329 HydrophobicContact CG2-CD2 3.93Å; V327-L329 HydrophobicContact CG2-CD2 4.07Å; L329-T331 HydrophobicContact CB-CG2 4.05Å; L329-T331 PolarHBondContact O-N 3.37Å; L329-T335 HydrophobicContact CD1-CG2 4.14Å; L329-T335 PolarHBondContact N-O 2.93Å; L329-T335 PolarHBondContact O-N 3Å; L329-T335 VanDerWaalsContact O-N 3.14Å; L329-A355 HydrophobicContact CD1-CB 4.16Å; L329-A355 HydrophobicContact CD2-CB 4.41Å; L329-L359 HydrophobicContact CD1-CD1 3.92Å; L329-L359 HydrophobicContact CD1-CD2 3.69Å; L329-L359 HydrophobicContact CD1-CG 3.92Å
330S91.9Very high93.6Very high41 Ų4144.3 Ų44.329%0.28727%0.27SS..  trans-75.837.2176.880.20000113.3H308H308-S330 PolarHBondContact N-OG 3.43Å; H308-S330 PolarHBondContact O-N 3.4Å
331T90.4Very high93.7Very high5 Ų541 Ų413%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-71.2169.5172.256.40000110.6C263 W265 F307 L329 P333 A334 T335 L359C263-T331 CarbonylContact O-C 3.57Å; C263-T331 WeakPolarHBondContact O-CA 3.3Å; W265-T331 HydrophobicContact CH2-CG2 4.28Å; F307-T331 HydrophobicContact CG-CG2 4.48Å; L329-T331 HydrophobicContact CB-CG2 4.05Å; L329-T331 PolarHBondContact O-N 3.37Å; T331-P333 VanDerWaalsContact C-C 3.44Å; T331-P333 CarbonylContact C-O 3.54Å; T331-P333 CarbonylContact O-C 3.52Å; T331-P333 VanDerWaalsContact O-O 3.08Å; T331-P333 PolarHBondContact OG1-O 3.01Å; T331-A334 WeakPolarHBondContact O-CA 3.25Å; T331-A334 PolarHBondContact O-N 3.38Å; T331-T335 PolarHBondContact OG1-N 3.16Å; T331-T335 PolarHBondContact OG1-OG1 3.24Å; T331-L359 HydrophobicContact CG2-CD2 4.37Å
332Q84.2Confident93.8Very high113 Ų11344.4 Ų44.453%0.52826%0.26SS..EExtended strand (participates in β ladder)trans-119.3113.4172.6-71.2-177.97.700111.7C263 T264C263-Q332 PolarHBondContact O-N 2.85Å; T264-Q332 HydrophobicContact CG2-CB 4.34Å
333P87.5Confident93.7Very high92 Ų9245.1 Ų45.160%0.59727%0.266SS*.SBendcis-61159.8-9.325.8-37.9000114T331T331-P333 VanDerWaalsContact C-C 3.44Å; T331-P333 CarbonylContact C-O 3.54Å; T331-P333 CarbonylContact O-C 3.52Å; T331-P333 VanDerWaalsContact O-O 3.08Å; T331-P333 PolarHBondContact OG1-O 3.01Å
334A88.7Confident93.5Very high66 Ų6651.8 Ų51.855%0.54529%0.288SS..  trans-59.7139.8177.200000110.4T331T331-A334 WeakPolarHBondContact O-CA 3.25Å; T331-A334 PolarHBondContact O-N 3.38Å
335T93.1Very high93.3Very high7 Ų755.4 Ų55.44%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-112.9128.8-178.3-58.10000109.4W265 E328 L329 T331 Y358W265-T335 WeakPolarHBondContact CH2-OG1 3.35Å; W265-T335 VanDerWaalsContact CZ2-OG1 3.26Å; W265-T335 WeakPolarHBondContact CZ2-OG1 3.33Å; E328-T335 CarbonylContact C-O 3.59Å; E328-T335 WeakPolarHBondContact CA-O 3.36Å; L329-T335 HydrophobicContact CD1-CG2 4.14Å; L329-T335 PolarHBondContact N-O 2.93Å; L329-T335 PolarHBondContact O-N 3Å; L329-T335 VanDerWaalsContact O-N 3.14Å; T331-T335 PolarHBondContact OG1-N 3.16Å; T331-T335 PolarHBondContact OG1-OG1 3.24Å; T335-Y358 HydrophobicContact CG2-CD1 3.38Å; T335-Y358 HydrophobicContact CG2-CE1 3.42Å; T335-Y358 VanDerWaalsContact CG2-CE1 3.42Å; T335-Y358 HydrophobicContact CG2-CG 4.27Å; T335-Y358 WeakPolarHBondContact OG1-CE1 3.48Å
336V96.3Very high93.1Very high87 Ų8757.2 Ų57.253%0.52732%0.32SS..EExtended strand (participates in β ladder)trans-120.5131.7172.2-178.10000109.6L326 V327 E328L326-V336 HydrophobicContact CB-CG1 4.35Å; L326-V336 HydrophobicContact CD2-CG1 4.19Å; V327-V336 CarbonylContact O-C 3.52Å; V327-V336 VanDerWaalsContact O-CA 3.27Å; V327-V336 WeakPolarHBondContact O-CA 3.46Å; E328-V336 HydrophobicContact CB-CG2 4.28Å; E328-V336 HydrophobicContact CG-CG2 4.14Å
337C96.3Very high92.9Very high16 Ų1654.7 Ų54.711%0.10831%0.307CS..EExtended strand (participates in β ladder)trans-124.1139.5176-69.90000110.4L326 V327 R354 A355L326-C337 CarbonylContact C-O 3.56Å; L326-C337 WeakPolarHBondContact CA-O 3.47Å; V327-C337 HydrophobicContact CG1-CB 3.65Å; V327-C337 PolarHBondContact N-O 2.73Å; V327-C337 PolarHBondContact O-N 3.03Å; C337-R354 HydrophobicContact CB-CB 4.12Å; C337-A355 HydrophobicContact CB-CB 4.2Å; C337-A355 VanDerWaalsContact SG-CA 3.6Å
338H96.1Very high92.8Very high64 Ų6459.4 Ų59.430%0.29633%0.325SS..EExtended strand (participates in β ladder)trans-103135.9178.5171.9-101.1000111.1C325 L326 R354C325-H338 CarbonylContact O-C 3.08Å; C325-H338 WeakPolarHBondContact O-CA 3.25Å; L326-H338 HydrophobicContact CD2-CB 3.69Å; H338-R354 WeakPolarHBondContact O-CD 3.49Å; H338-R354 PolarHBondContact O-NE 3.49Å; H338-R354 PolarHBondContact O-NH1 2.96Å
339G94.4Very high92.7Very high0 Ų054.8 Ų54.80%030%0.304CS..EExtended strand (participates in β ladder)trans-127144.6171.600000112.2Q324 C325Q324-G339 WeakPolarHBondContact CA-O 3.36Å; C325-G339 PolarHBondContact N-O 3.41Å; C325-G339 PolarHBondContact O-N 2.82Å
340S94.7Very high92.6Very high38 Ų3856.9 Ų56.927%0.26631%0.314SS..EExtended strand (participates in β ladder)trans-136.8131.7179.357.90000111.1C323C323-S340 CarbonylContact O-C 3.6Å; C323-S340 WeakPolarHBondContact O-CA 3.11Å
341A94.3Very high92.8Very high19 Ų1954.9 Ų54.916%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-155.6175.8179.400000112.2L322 C323 T343 A346 A347L322-A341 CarbonylContact C-O 3.58Å; L322-A341 WeakPolarHBondContact CA-O 3.31Å; L322-A341 WeakPolarHBondContact CB-O 3.31Å; C323-A341 WeakPolarHBondContact CA-O 3.44Å; C323-A341 WeakPolarHBondContact CB-O 3.48Å; C323-A341 PolarHBondContact N-O 2.99Å; C323-A341 PolarHBondContact O-N 3.27Å; A341-T343 VanDerWaalsContact C-N 3.27Å; A341-T343 PolarHBondContact O-N 3.18Å; A341-A346 VanDerWaalsContact CB-C 3.46Å; A341-A346 HydrophobicContact CB-CB 3.45Å; A341-A346 VanDerWaalsContact CB-CB 3.45Å; A341-A347 HydrophobicContact CB-CB 4.17Å
342T93.7Very high93Very high115 Ų11554.7 Ų54.771%0.70630%0.298SS*.SBendtrans-70.2-2018050.90000113.9L322L322-T342 HydrophobicContact CD2-CG2 3.84Å
343T93.3Very high93.4Very high64 Ų6451.6 Ų51.639%0.39328%0.282SS..SBendtrans-128.8159.2175.669.60000110.9A341 A346 A347A341-T343 VanDerWaalsContact C-N 3.27Å; A341-T343 PolarHBondContact O-N 3.18Å; T343-A346 PolarHBondContact O-N 2.86Å; T343-A346 WeakPolarHBondContact OG1-CB 3.5Å; T343-A346 PolarHBondContact OG1-N 2.8Å; T343-A347 WeakPolarHBondContact O-CB 3.45Å; T343-A347 PolarHBondContact O-N 3.15Å
344R91.2Very high93.8Very high161 Ų16151.4 Ų51.461%0.60827%0.27SS*.Hα-helixtrans-64.5-41.3-179.9-61.3-170.9-157.2111.2-0.7111.8C323 A346 A347 R348C323-R344 HydrophobicContact CB-CG 4.36Å; R344-A346 VanDerWaalsContact C-N 3.33Å; R344-A346 PolarHBondContact O-N 2.83Å; R344-A347 PolarHBondContact O-N 3.37Å; R344-R348 PolarHBondContact O-N 3.46Å
345E91.8Very high94.1Very high122 Ų12248.3 Ų48.357%0.5724%0.244SC*.Hα-helixtrans-65.3-39.6179.3-61.871.3-15500111G349E345-G349 PolarHBondContact O-N 3.04Å
346A91.7Very high94.1Very high38 Ų3848 Ų4831%0.31424%0.242SC..Hα-helixtrans-69.4-35.6174.400000111.7A341 T343 R344 G349 E350A341-A346 VanDerWaalsContact CB-C 3.46Å; A341-A346 HydrophobicContact CB-CB 3.45Å; A341-A346 VanDerWaalsContact CB-CB 3.45Å; T343-A346 PolarHBondContact O-N 2.86Å; T343-A346 WeakPolarHBondContact OG1-CB 3.5Å; T343-A346 PolarHBondContact OG1-N 2.8Å; R344-A346 VanDerWaalsContact C-N 3.33Å; R344-A346 PolarHBondContact O-N 2.83Å; A346-G349 PolarHBondContact O-N 3.23Å; A346-E350 WeakPolarHBondContact O-CB 3.41Å; A346-E350 PolarHBondContact O-N 2.74Å
347A93.8Very high93.9Very high0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-66-41.5176.900000111.1C323 C325 A341 T343 R344 E350 A351C323-A347 HydrophobicContact CB-CB 4.19Å; C323-A347 WeakPolarHBondContact O-CB 3.44Å; C325-A347 HydrophobicContact CB-CB 4.09Å; A341-A347 HydrophobicContact CB-CB 4.17Å; T343-A347 WeakPolarHBondContact O-CB 3.45Å; T343-A347 PolarHBondContact O-N 3.15Å; R344-A347 PolarHBondContact O-N 3.37Å; A347-E350 PolarHBondContact O-N 3.24Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 2.98Å
348R94.3Very high93.7Very high99 Ų9949.8 Ų49.837%0.37424%0.24SC..Hα-helixtrans-59.9-46.6170-78.9-178.4179-164.71.5112.1Y311 D313 C325 R344 E350 A351 A352Y311-R348 HydrophobicContact CD1-CB 4.4Å; Y311-R348 HydrophobicContact CD1-CG 4.13Å; D313-R348 VanDerWaalsContact CG-NE 3.34Å; D313-R348 WeakPolarHBondContact OD1-CG 3.4Å; D313-R348 IonicContact OD1-CZ 2.63Å; D313-R348 IonicContact OD1-NE 2.81Å; D313-R348 PolarHBondContact OD1-NE 3.4Å; D313-R348 IonicContact OD1-NH2 2.72Å; D313-R348 IonicContact OD2-CZ 3.63Å; D313-R348 IonicContact OD2-NE 3.37Å; D313-R348 PolarHBondContact OD2-NE 3.11Å; D313-R348 IonicContact OD2-NH2 3.94Å; D313-R348 PolarHBondContact OD2-NH2 3.37Å; C325-R348 HydrophobicContact CB-CG 4.21Å; C325-R348 WeakPolarHBondContact SG-CG 3.41Å; R344-R348 PolarHBondContact O-N 3.46Å; R348-E350 VanDerWaalsContact C-N 3.32Å; R348-E350 PolarHBondContact O-N 2.9Å; R348-A351 PolarHBondContact O-N 3.47Å; R348-A352 WeakPolarHBondContact O-CB 3.27Å; R348-A352 PolarHBondContact O-N 2.98Å
349G93.7Very high93.5Very high3 Ų346.7 Ų46.73%0.03123%0.225CC..Hα-helixtrans-58-43.2176.300000112.5E345 A346 A352 R353E345-G349 PolarHBondContact O-N 3.04Å; A346-G349 PolarHBondContact O-N 3.23Å; G349-A352 PolarHBondContact O-N 3.2Å; G349-R353 WeakPolarHBondContact O-CB 3.08Å; G349-R353 PolarHBondContact O-N 2.91Å
350E93.7Very high93.4Very high44 Ų4448.9 Ų48.921%0.20624%0.235CC..Hα-helixtrans-67.5-39.5176.9177.659-164.500112.4A346 A347 R348 R353 R354A346-E350 WeakPolarHBondContact O-CB 3.41Å; A346-E350 PolarHBondContact O-N 2.74Å; A347-E350 PolarHBondContact O-N 3.24Å; R348-E350 VanDerWaalsContact C-N 3.32Å; R348-E350 PolarHBondContact O-N 2.9Å; E350-R353 PolarHBondContact O-N 3.2Å; E350-R353 IonicContact OE1-CZ 3.55Å; E350-R353 IonicContact OE1-NE 3.26Å; E350-R353 IonicContact OE1-NH2 2.67Å; E350-R353 PolarHBondContact OE1-NH2 3.37Å; E350-R353 IonicContact OE2-CZ 3.5Å; E350-R353 IonicContact OE2-NE 3.49Å; E350-R353 PolarHBondContact OE2-NE 3.45Å; E350-R353 IonicContact OE2-NH2 3.37Å; E350-R353 PolarHBondContact OE2-NH2 3.2Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3.25Å; E350-R354 IonicContact OE1-CZ 3.85Å; E350-R354 IonicContact OE1-NE 2.93Å; E350-R354 PolarHBondContact OE1-NE 3.08Å; E350-R354 IonicContact OE1-NH2 2.71Å; E350-R354 PolarHBondContact OE1-NH2 3.47Å
351A95.7Very high93.1Very high0 Ų051.3 Ų51.30%024%0.244CC..Hα-helixtrans-62.4-47.1174.200000110.6C325 V327 A347 R348 R353 R354 A355C325-A351 HydrophobicContact CB-CB 4.42Å; V327-A351 HydrophobicContact CB-CB 4.19Å; V327-A351 HydrophobicContact CG1-CB 3.91Å; V327-A351 WeakPolarHBondContact CG1-O 3.35Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 2.98Å; R348-A351 PolarHBondContact O-N 3.47Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 2.88Å; A351-R354 PolarHBondContact O-N 3.25Å; A351-A355 PolarHBondContact O-N 3.25Å
352A95.3Very high92.9Very high0 Ų052.3 Ų52.30%025%0.246CC..Hα-helixtrans-62-39.7176.300000112.3C294 L298 Y311 R348 G349 A355 L356C294-A352 HydrophobicContact CB-CB 4.02Å; L298-A352 HydrophobicContact CD2-CB 3.88Å; Y311-A352 HydrophobicContact CE1-CB 4.26Å; R348-A352 WeakPolarHBondContact O-CB 3.27Å; R348-A352 PolarHBondContact O-N 2.98Å; G349-A352 PolarHBondContact O-N 3.2Å; A352-A355 WeakPolarHBondContact O-CB 3.44Å; A352-A355 PolarHBondContact O-N 3.23Å; A352-L356 WeakPolarHBondContact O-CG 3.28Å; A352-L356 PolarHBondContact O-N 3.05Å
353R93.1Very high92.5Very high48 Ų4847 Ų4718%0.18121%0.214CC..Hα-helixtrans-61.1-45.6176.1-170.2-164.363.967.6-1111.4L287 C294 G349 E350 A351 A355 L356 Q357L287-R353 HydrophobicContact CB-CG 4.16Å; L287-R353 HydrophobicContact CD2-CG 4.02Å; L287-R353 HydrophobicContact CG-CG 4.4Å; C294-R353 HydrophobicContact CB-CB 4.3Å; G349-R353 WeakPolarHBondContact O-CB 3.08Å; G349-R353 PolarHBondContact O-N 2.91Å; E350-R353 PolarHBondContact O-N 3.2Å; E350-R353 IonicContact OE1-CZ 3.55Å; E350-R353 IonicContact OE1-NE 3.26Å; E350-R353 IonicContact OE1-NH2 2.67Å; E350-R353 PolarHBondContact OE1-NH2 3.37Å; E350-R353 IonicContact OE2-CZ 3.5Å; E350-R353 IonicContact OE2-NE 3.49Å; E350-R353 PolarHBondContact OE2-NE 3.45Å; E350-R353 IonicContact OE2-NH2 3.37Å; E350-R353 PolarHBondContact OE2-NH2 3.2Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 2.88Å; R353-A355 VanDerWaalsContact C-N 3.35Å; R353-L356 PolarHBondContact O-N 3.49Å; R353-Q357 WeakPolarHBondContact O-CB 3.35Å; R353-Q357 PolarHBondContact O-N 3.33Å
354R94.3Very high91.5Very high89 Ų8946.4 Ų46.434%0.33622%0.22SC..Hα-helixtrans-65.3-39.3176.9-72.7168.7179.7-154.7-2.2111.7C337 H338 E350 A351 Q357 Y358C337-R354 HydrophobicContact CB-CB 4.12Å; H338-R354 WeakPolarHBondContact O-CD 3.49Å; H338-R354 PolarHBondContact O-NE 3.49Å; H338-R354 PolarHBondContact O-NH1 2.96Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3.25Å; E350-R354 IonicContact OE1-CZ 3.85Å; E350-R354 IonicContact OE1-NE 2.93Å; E350-R354 PolarHBondContact OE1-NE 3.08Å; E350-R354 IonicContact OE1-NH2 2.71Å; E350-R354 PolarHBondContact OE1-NH2 3.47Å; A351-R354 PolarHBondContact O-N 3.25Å; R354-Q357 PolarHBondContact O-N 2.78Å; R354-Y358 WeakPolarHBondContact O-CB 3.47Å; R354-Y358 PolarHBondContact O-N 3.44Å
355A95.1Very high89.9Confident0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-59.4-51.317200000111.8L298 V327 L329 C337 A351 A352 R353 Q357 Y358 L359L298-A355 HydrophobicContact CD1-CB 4.38Å; L298-A355 HydrophobicContact CD2-CB 3.85Å; V327-A355 HydrophobicContact CG1-CB 3.79Å; L329-A355 HydrophobicContact CD1-CB 4.16Å; L329-A355 HydrophobicContact CD2-CB 4.41Å; C337-A355 HydrophobicContact CB-CB 4.2Å; C337-A355 VanDerWaalsContact SG-CA 3.6Å; A351-A355 PolarHBondContact O-N 3.25Å; A352-A355 WeakPolarHBondContact O-CB 3.44Å; A352-A355 PolarHBondContact O-N 3.23Å; R353-A355 VanDerWaalsContact C-N 3.35Å; A355-Q357 VanDerWaalsContact C-N 3.32Å; A355-Q357 PolarHBondContact O-N 3.14Å; A355-Y358 WeakPolarHBondContact O-CB 3.18Å; A355-Y358 PolarHBondContact O-N 3.33Å; A355-Y358 VanDerWaalsContact O-N 3.12Å; A355-L359 VanDerWaalsContact O-CG 3.31Å; A355-L359 WeakPolarHBondContact O-CG 3.47Å; A355-L359 PolarHBondContact O-N 3.19Å
356L93.2Very high87.7Confident1 Ų149 Ų491%0.00524%0.243CC..Hα-helixtrans-60-40.2177-73.3171000112.6L279 L287 C294 V297 L298 L301 A352 R353 Y358 L359 K360L279-L356 HydrophobicContact CD1-CB 4.21Å; L279-L356 HydrophobicContact CD1-CD2 4.16Å; L279-L356 HydrophobicContact CD2-CD2 4.25Å; L287-L356 HydrophobicContact CD2-CB 3.65Å; L287-L356 HydrophobicContact CD2-CD1 4.26Å; C294-L356 HydrophobicContact CB-CD1 4.12Å; V297-L356 HydrophobicContact CB-CD1 4.06Å; V297-L356 HydrophobicContact CG1-CD1 3.95Å; V297-L356 HydrophobicContact CG1-CD2 4.04Å; L298-L356 HydrophobicContact CB-CD1 4.41Å; L298-L356 HydrophobicContact CB-CD2 4.09Å; L298-L356 HydrophobicContact CB-CG 4.13Å; L298-L356 HydrophobicContact CD1-CD2 3.84Å; L298-L356 HydrophobicContact CD1-CG 4.15Å; L301-L356 HydrophobicContact CD2-CD2 3.97Å; A352-L356 WeakPolarHBondContact O-CG 3.28Å; A352-L356 PolarHBondContact O-N 3.05Å; R353-L356 PolarHBondContact O-N 3.49Å; L356-Y358 VanDerWaalsContact C-N 3.34Å; L356-L359 PolarHBondContact O-N 3.33Å; L356-K360 WeakPolarHBondContact O-CB 3.48Å; L356-K360 PolarHBondContact O-N 3.49Å
357Q92.1Very high87.5Confident54 Ų5449.5 Ų49.525%0.25224%0.239SC..Hα-helixtrans-61.2-43.9174.8178.9173.21.900111.4L284 R353 R354 A355 K360 I361L284-Q357 HydrophobicContact CD1-CG 4.19Å; R353-Q357 WeakPolarHBondContact O-CB 3.35Å; R353-Q357 PolarHBondContact O-N 3.33Å; R354-Q357 PolarHBondContact O-N 2.78Å; A355-Q357 VanDerWaalsContact C-N 3.32Å; A355-Q357 PolarHBondContact O-N 3.14Å; Q357-K360 WeakPolarHBondContact O-CB 3.44Å; Q357-K360 PolarHBondContact O-N 3.04Å; Q357-I361 HydrophobicContact CG-CD1 4.3Å; Q357-I361 WeakPolarHBondContact O-CG1 3.24Å; Q357-I361 PolarHBondContact O-N 2.91Å; Q357-I361 VanDerWaalsContact O-N 3.11Å
358Y92.9Very high87.2Confident86 Ų8652.1 Ų52.134%0.33725%0.252SS..Hα-helixtrans-64.2-47.4176.5-176.6-102.4000111.8W265 T335 R354 A355 L356 K360 I361 M362W265-Y358 AromaticContact CH2-CD1 3.8Å; W265-Y358 HydrophobicContact CH2-CD1 3.8Å; W265-Y358 AromaticContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CZ2-CD1 4.4Å; W265-Y358 AromaticContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ2-CE1 3.45Å; W265-Y358 VanDerWaalsContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ3-CE1 4.27Å; T335-Y358 HydrophobicContact CG2-CD1 3.38Å; T335-Y358 HydrophobicContact CG2-CE1 3.42Å; T335-Y358 VanDerWaalsContact CG2-CE1 3.42Å; T335-Y358 HydrophobicContact CG2-CG 4.27Å; T335-Y358 WeakPolarHBondContact OG1-CE1 3.48Å; R354-Y358 WeakPolarHBondContact O-CB 3.47Å; R354-Y358 PolarHBondContact O-N 3.44Å; A355-Y358 WeakPolarHBondContact O-CB 3.18Å; A355-Y358 PolarHBondContact O-N 3.33Å; A355-Y358 VanDerWaalsContact O-N 3.12Å; L356-Y358 VanDerWaalsContact C-N 3.34Å; Y358-K360 VanDerWaalsContact C-N 3.27Å; Y358-K360 PolarHBondContact O-N 3.48Å; Y358-I361 PolarHBondContact O-N 2.88Å; Y358-I361 VanDerWaalsContact O-N 3.13Å; Y358-M362 HydrophobicContact CD1-CG 4.19Å; Y358-M362 HydrophobicContact CE1-CG 3.88Å; Y358-M362 HydrophobicContact CE2-CG 4.2Å; Y358-M362 HydrophobicContact CE2-SD 4.4Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.11Å
359L92.1Very high86.8Confident0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-58.3-40.1175.7-65.2-179.5000111.8W265 L268 L279 L298 L301 F307 L329 T331 A355 L356 M362 A363W265-L359 HydrophobicContact CH2-CD2 3.89Å; W265-L359 HydrophobicContact CZ3-CD2 3.69Å; L268-L359 HydrophobicContact CD2-CB 4.15Å; L268-L359 HydrophobicContact CD2-CD2 3.65Å; L268-L359 HydrophobicContact CD2-CG 4.38Å; L279-L359 HydrophobicContact CD2-CB 4.14Å; L298-L359 HydrophobicContact CD1-CD1 3.78Å; L301-L359 HydrophobicContact CD2-CD1 3.51Å; F307-L359 HydrophobicContact CE1-CD1 4.44Å; F307-L359 HydrophobicContact CE2-CD1 4.44Å; F307-L359 HydrophobicContact CZ-CD1 3.76Å; L329-L359 HydrophobicContact CD1-CD1 3.92Å; L329-L359 HydrophobicContact CD1-CD2 3.69Å; L329-L359 HydrophobicContact CD1-CG 3.92Å; T331-L359 HydrophobicContact CG2-CD2 4.37Å; A355-L359 VanDerWaalsContact O-CG 3.31Å; A355-L359 WeakPolarHBondContact O-CG 3.47Å; A355-L359 PolarHBondContact O-N 3.19Å; L356-L359 PolarHBondContact O-N 3.33Å; L359-M362 PolarHBondContact O-N 3.29Å; L359-A363 WeakPolarHBondContact O-CB 3.24Å; L359-A363 PolarHBondContact O-N 3.48Å
360K90.9Very high86.4Confident45 Ų4552.2 Ų52.220%0.19626%0.258CS..Hα-helixtrans-60.3-46.3175.2-174.1-174.1175.1-1710112L279 R280 C282 L284 L356 Q357 Y358 A363 G364L279-K360 HydrophobicContact CD2-CB 4.31Å; L279-K360 HydrophobicContact CG-CB 4.09Å; L279-K360 HydrophobicContact CG-CG 4.49Å; L279-K360 WeakPolarHBondContact O-CD 3.32Å; R280-K360 VanDerWaalsContact O-CE 3.3Å; R280-K360 WeakPolarHBondContact O-CE 3.36Å; C282-K360 WeakPolarHBondContact O-CE 2.9Å; C282-K360 PolarHBondContact O-NZ 2.84Å; L284-K360 HydrophobicContact CD1-CD 3.9Å; L356-K360 WeakPolarHBondContact O-CB 3.48Å; L356-K360 PolarHBondContact O-N 3.49Å; Q357-K360 WeakPolarHBondContact O-CB 3.44Å; Q357-K360 PolarHBondContact O-N 3.04Å; Y358-K360 VanDerWaalsContact C-N 3.27Å; Y358-K360 PolarHBondContact O-N 3.48Å; K360-A363 PolarHBondContact O-N 3.16Å; K360-G364 PolarHBondContact O-N 3.36Å
361I89.9Confident85.9Confident89 Ų8952.8 Ų52.846%0.45626%0.261SS..Hα-helixtrans-61.5-47.9178.8-67.8162.9000109.9Q357 Y358 A363 G364 S365Q357-I361 HydrophobicContact CG-CD1 4.3Å; Q357-I361 WeakPolarHBondContact O-CG1 3.24Å; Q357-I361 PolarHBondContact O-N 2.91Å; Q357-I361 VanDerWaalsContact O-N 3.11Å; Y358-I361 PolarHBondContact O-N 2.88Å; Y358-I361 VanDerWaalsContact O-N 3.13Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.44Å; I361-G364 PolarHBondContact O-N 3.05Å; I361-S365 PolarHBondContact O-N 3.38Å; I361-S365 PolarHBondContact O-OG 3.11Å
362M88.6Confident85.3Confident40 Ų4056.3 Ų56.320%0.19728%0.278CS..Hα-helixtrans-68.7-33.3-177.2-64.3-57.4-73.200112.9W265 R269 Y358 L359W265-M362 HydrophobicContact CB-CE 4.47Å; W265-M362 HydrophobicContact CD2-CB 3.98Å; W265-M362 HydrophobicContact CD2-CE 3.56Å; W265-M362 HydrophobicContact CD2-CG 4.17Å; W265-M362 HydrophobicContact CE3-CB 3.28Å; W265-M362 HydrophobicContact CE3-CE 4.12Å; W265-M362 HydrophobicContact CE3-CG 3.8Å; W265-M362 HydrophobicContact CG-CE 3.68Å; W265-M362 HydrophobicContact CH2-CB 4.21Å; W265-M362 HydrophobicContact CH2-CG 3.96Å; W265-M362 HydrophobicContact CZ2-CE 4.34Å; W265-M362 HydrophobicContact CZ2-CG 4.29Å; W265-M362 HydrophobicContact CZ3-CB 3.4Å; W265-M362 VanDerWaalsContact CZ3-CB 3.4Å; W265-M362 HydrophobicContact CZ3-CG 3.67Å; R269-M362 WeakPolarHBondContact CD-O 3.35Å; R269-M362 WeakPolarHBondContact CG-O 3.37Å; Y358-M362 HydrophobicContact CD1-CG 4.19Å; Y358-M362 HydrophobicContact CE1-CG 3.88Å; Y358-M362 HydrophobicContact CE2-CG 4.2Å; Y358-M362 HydrophobicContact CE2-SD 4.4Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.11Å; L359-M362 PolarHBondContact O-N 3.29Å
363A85.1Confident84.6Confident4 Ų460.3 Ų60.33%0.03330%0.298CS..Hα-helixtrans-81.8-21.8177.300000114.1L268 I276 R280 L359 K360 I361L268-A363 HydrophobicContact CB-CB 4.41Å; I276-A363 HydrophobicContact CD1-CB 3.87Å; I276-A363 HydrophobicContact CG1-CB 4.32Å; R280-A363 PolarHBondContact NE-O 3.43Å; L359-A363 WeakPolarHBondContact O-CB 3.24Å; L359-A363 PolarHBondContact O-N 3.48Å; K360-A363 PolarHBondContact O-N 3.16Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.44Å
364G72.3Confident83.9Confident51 Ų5161.2 Ų61.253%0.52631%0.307SS..Hα-helixtrans-100.5-9.7-176.300000115.8K360 I361 K366K360-G364 PolarHBondContact O-N 3.36Å; I361-G364 PolarHBondContact O-N 3.05Å; G364-K366 PolarHBondContact O-N 3.35Å; G364-K366 VanDerWaalsContact O-N 3.16Å
365S58Low83.1Confident72 Ų7258.9 Ų58.950%0.50331%0.305SS..  trans-72.8105.1178.6-59.30000110.3I361I361-S365 PolarHBondContact O-N 3.38Å; I361-S365 PolarHBondContact O-OG 3.11Å
366K46.6Very low82Confident265 Ų26564.3 Ų64.3100%1.15233%0.333SS*.  trans-110.80169.1-170.7168.9-178.5174.10110.1G364G364-K366 PolarHBondContact O-N 3.35Å; G364-K366 VanDerWaalsContact O-N 3.16Å

Retrieved 366 of 366 residues in 128.3 ms (Link to these results)