A0A087Y708_POEFO Loading...

E3 ubiquitin-protein ligase RNF144B

E3 ubiquitin-protein ligase which accepts ubiquitin from E2 ubiquitin-conjugating enzymes UBE2L3 and UBE2L6 in the form of a thioester and then directly transfers the ubiquitin to targeted substrates such as LCMT2, thereby promoting their degradation. Induces apoptosis via a p53/TP53-dependent but caspase-independent mechanism. Plays a crucial role in maintaining the genomic stability by controlling the degradation of multiple proteins involved in mitotic progression and DNA damage. Regulates epithelial homeostasis by mediating degradation of CDKN1A and isoform 2 of TP63. Plays a regulatory role in innate immunity by negatively regulating IRF3 activation and IFN-beta production. Mechanistically, inhibits TBK1 phosphorylation and 'Lys-63'-linked polyubiquitination independently of its E3 ligase activity. Alternatively, promotes 'Lys-27' and 'Lys-33'-linked ubiquitination of IFIH1/MDA5, promoting selective autophagic degradation of IFIH1/MDA5 to inhibit antiviral response.

AlphaFold DB , UniProt , Accession A0A087Y708, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1M35.7Very low33.8Very low247 Ų247154.4 Ų154.4100%1.21784%0.84SS**  0124.50-86169.9171.100108.3
2A32.4Very low33.8Very low93 Ų93154.4 Ų154.477%0.76984%0.839SS**  trans41.4121.4160.300000119.1
3S30.9Very low33.9Very low109 Ų109160.5 Ų160.576%0.76284%0.842SS**  cis118.5126.349.7-78.20000106.2
4R35.7Very low34.3Very low248 Ų248160 Ų16094%0.93684%0.841SS**  169.8107125.9-94.7171.1177-158.3-1.3111.5
5S36.3Very low34.6Very low109 Ų109156.9 Ų156.976%0.76283%0.834SS**  trans-73.2161.6154.4-42.30000110.6
6P41Very low34.6Very low130 Ų130153.3 Ų153.384%0.84483%0.825SS**  trans-109.9131.4145.213.75.6000110.8
7S34Very low34.8Very low105 Ų105151.1 Ų151.173%0.73482%0.821SS**  trans-93.9149.3170.7-55.70000110.6
8I33.6Very low35Very low160 Ų160150.4 Ų150.482%0.82182%0.822SS**  trans156.8140.4141.451.9-161.7000108
9H29.2Very low35Very low168 Ų168151.4 Ų151.478%0.77882%0.823SS**  cis-157.7157.911.8-142.4-92.2000108.9
10L35.1Very low35.3Very low135 Ų135148.7 Ų148.771%0.70782%0.821SS**  trans-52.9141.8175-81.672.3000114
11E28Very low35.5Very low194 Ų194146.2 Ų146.291%0.90782%0.82SS**  -142110128.2-79.4-16391.500109.4R13E11-R13 PolarHBondContact O-N 3.38Å
12D33.4Very low36Very low155 Ų155139.1 Ų139.183%0.82980%0.801SS**  trans-63.9116.7164.5-97-58.9000108.8
13R35Very low36.7Very low233 Ų233140.7 Ų140.788%0.87981%0.805SS**  trans-139.390.9168.1-152.9171.7146.9-173.7-7.5109.7E11 P15E11-R13 PolarHBondContact O-N 3.38Å; R13-P15 VanDerWaalsContact O-CD 3.32Å; R13-P15 WeakPolarHBondContact O-CD 3.32Å
14D39.8Very low37.7Very low154 Ų154139.5 Ų139.582%0.82480%0.801SS**  trans-54.1125.5169.1-153.1-24.3000110.7
15P38.3Very low38.3Very low114 Ų114132.4 Ų132.474%0.7479%0.788SS**  trans-110.211315821-1.1000109.4R13R13-P15 VanDerWaalsContact O-CD 3.32Å; R13-P15 WeakPolarHBondContact O-CD 3.32Å
16S34.7Very low39.4Very low98 Ų98130.3 Ų130.369%0.68577%0.773SS**  trans-14.4146.2160-104.60000117.2V18S16-V18 PolarHBondContact O-N 2.91Å
17P38.2Very low40.5Very low117 Ų117130 Ų13076%0.7677%0.774SS**  trans-66.4109.2177.329.2-30.9000109M19P17-M19 VanDerWaalsContact C-N 3.32Å; P17-M19 PolarHBondContact O-N 2.96Å
18V38.5Very low42.7Very low139 Ų139130.1 Ų130.184%0.84276%0.763SS**  trans-63.4101.5166.4-169.70000105.8S16 A20S16-V18 PolarHBondContact O-N 2.91Å; V18-A20 PolarHBondContact O-N 2.89Å
19M35.9Very low45.4Very low169 Ų169125.2 Ų125.283%0.83374%0.738SS**  trans-53.6110.4170.3-75.1178.16000107.2P17 A21P17-M19 VanDerWaalsContact C-N 3.32Å; P17-M19 PolarHBondContact O-N 2.96Å; M19-A21 PolarHBondContact O-N 2.98Å
20A40Very low48.5Very low96 Ų96118.5 Ų118.579%0.79371%0.709SS**  trans-55.5105.8165.900000106.9V18 A22V18-A20 PolarHBondContact O-N 2.89Å; A20-A22 VanDerWaalsContact C-N 3.27Å; A20-A22 PolarHBondContact O-N 3.01Å
21A40.9Very low51.3Low97 Ų97117.1 Ų117.180%0.80270%0.698SS**  trans-6298166.900000106.3M19 C23M19-A21 PolarHBondContact O-N 2.98Å; A21-C23 VanDerWaalsContact C-N 3.26Å; A21-C23 PolarHBondContact O-N 2.9Å
22A44.7Very low54.6Low98 Ų98107.9 Ų107.981%0.8166%0.655SS**  trans-60.898.9162.300000106.1A20 A24A20-A22 VanDerWaalsContact C-N 3.27Å; A20-A22 PolarHBondContact O-N 3.01Å; A22-A24 PolarHBondContact O-N 2.87Å
23C47.1Very low57.4Low126 Ų126106.1 Ų106.185%0.85164%0.64SS**  trans-56.1111.1166.7-121.80000106.1A21A21-C23 VanDerWaalsContact C-N 3.26Å; A21-C23 PolarHBondContact O-N 2.9Å
24A51.5Low60.3Low84 Ų8498.4 Ų98.469%0.69462%0.615SS**PPolyproline II helixtrans-57.6133.4168.400000107.3A22 S26A22-A24 PolarHBondContact O-N 2.87Å; A24-S26 PolarHBondContact O-N 2.77Å; A24-S26 VanDerWaalsContact O-N 3.14Å
25P49.9Very low63Low99 Ų9993.3 Ų93.364%0.64359%0.591SS**PPolyproline II helixtrans-57.3125.3178.921.5-30000108.3D29P25-D29 WeakPolarHBondContact CA-OD2 3.49Å
26S58.9Low65.7Low65 Ų6593.7 Ų93.746%0.45559%0.586SS.*PPolyproline II helixtrans-62.2149.1170.6840000107.2A24 Q28 D29A24-S26 PolarHBondContact O-N 2.77Å; A24-S26 VanDerWaalsContact O-N 3.14Å; S26-Q28 PolarHBondContact O-N 2.8Å; S26-D29 PolarHBondContact N-OD2 3.14Å; S26-D29 PolarHBondContact O-N 3.41Å; S26-D29 PolarHBondContact OG-OD1 3.45Å
27S62.8Low68.6Low125 Ų12591.5 Ų91.587%0.87457%0.571SS**THydrogen-bonded Turntrans-68.418.7-177.150.90000114.3
28Q81.8Confident71.4Confident107 Ų10790.6 Ų90.650%0.556%0.559SS.*THydrogen-bonded Turntrans-138.221.7-173.3-63.2-178.7-10.100112.9S26 L41S26-Q28 PolarHBondContact O-N 2.8Å; Q28-L41 HydrophobicContact CB-CB 4.39Å; Q28-L41 WeakPolarHBondContact O-CB 3.43Å; Q28-L41 PolarHBondContact O-N 2.93Å
29D90.3Very high74.1Confident56 Ų5686.5 Ų86.530%0.29953%0.531SS..EExtended strand (participates in β ladder)trans-84.8136.6176.6-60.1-18.3000111.3P25 S26 L38 Q39P25-D29 WeakPolarHBondContact CA-OD2 3.49Å; S26-D29 PolarHBondContact N-OD2 3.14Å; S26-D29 PolarHBondContact O-N 3.41Å; S26-D29 PolarHBondContact OG-OD1 3.45Å; D29-L38 HydrophobicContact CB-CB 4.31Å; D29-L38 HydrophobicContact CB-CD2 4.38Å; D29-Q39 CarbonylContact C-O 3.59Å; D29-Q39 WeakPolarHBondContact CA-O 3.39Å
30V93.9Very high76.9Confident28 Ų2881.2 Ų81.217%0.1751%0.509CS..EExtended strand (participates in β ladder)trans-116.2138.9178-179.40000109.7C32 Q39 L41 I44 M53V30-C32 PolarHBondContact O-N 2.91Å; V30-Q39 PolarHBondContact N-O 2.86Å; V30-Q39 PolarHBondContact O-N 2.82Å; V30-L41 HydrophobicContact CG2-CD1 3.77Å; V30-I44 HydrophobicContact CB-CD1 3.9Å; V30-I44 HydrophobicContact CB-CG1 3.8Å; V30-I44 HydrophobicContact CG1-CD1 4.12Å; V30-I44 HydrophobicContact CG1-CG1 4.27Å; V30-I44 HydrophobicContact CG2-CG1 4.19Å; V30-M53 HydrophobicContact CG1-CB 4.45Å; V30-M53 HydrophobicContact CG1-CE 4.11Å; V30-M53 HydrophobicContact CG1-SD 4.24Å
31F94.8Very high79.4Confident106 Ų10680.7 Ų80.747%0.46549%0.493SS..EExtended strand (participates in β ladder)trans-81.8118.2179.3-174.3-99000111.9L36 L38F31-L36 VanDerWaalsContact CE2-C 3.43Å; F31-L36 WeakPolarHBondContact CE2-O 3.36Å; F31-L36 HydrophobicContact CZ-CB 4.19Å; F31-L36 HydrophobicContact CZ-CD2 4.34Å; F31-L38 HydrophobicContact CB-CD2 4.03Å; F31-L38 HydrophobicContact CD2-CD2 4.3Å
32C96.1Very high81.9Confident0 Ų083 Ų830%049%0.487CS..EExtended strand (participates in β ladder)trans-86.2124.2174.9177.80000110.9V30 L34 C35 L36 S37 Q39 C55V30-C32 PolarHBondContact O-N 2.91Å; C32-L34 VanDerWaalsContact C-N 3.31Å; C32-L34 PolarHBondContact O-N 3.3Å; C32-C35 VanDerWaalsContact CB-SG 3.57Å; C32-C35 VanDerWaalsContact SG-SG 3.63Å; C32-L36 WeakPolarHBondContact O-CA 3.4Å; C32-L36 PolarHBondContact O-N 3.15Å; C32-S37 PolarHBondContact N-O 3.06Å; C32-S37 PolarHBondContact O-N 3.1Å; C32-Q39 HydrophobicContact CB-CG 4.12Å; C32-C55 HydrophobicContact CB-CB 4.25Å; C32-C55 PolarHBondContact SG-N 3.33Å; C32-C55 VanDerWaalsContact SG-SG 3.64Å
33K92.9Very high84.3Confident118 Ų11879.9 Ų79.951%0.51346%0.461SS..THydrogen-bonded Turntrans-75.8-12.2-178.9-60.4-177.1-173.9179.90114.8L36 F54 D79K33-L36 WeakPolarHBondContact O-CD2 3.12Å; K33-F54 HydrophobicContact CB-CE1 4.31Å; K33-D79 IonicContact NZ-OD2 2.72Å; K33-D79 PolarHBondContact NZ-OD2 3.36Å
34L95.3Very high86.6Confident70 Ų7075 Ų7537%0.36643%0.426SS..THydrogen-bonded Turntrans-88-48.2179.7-71.6173.8000112.3C32 F54 C58 P78C32-L34 VanDerWaalsContact C-N 3.31Å; C32-L34 PolarHBondContact O-N 3.3Å; L34-F54 HydrophobicContact CB-CD1 4.49Å; L34-F54 HydrophobicContact CD1-CB 4.3Å; L34-F54 HydrophobicContact CD1-CD1 3.67Å; L34-F54 HydrophobicContact CD1-CE1 4.21Å; L34-F54 HydrophobicContact CD1-CG 4.09Å; L34-F54 HydrophobicContact CG-CD1 3.64Å; L34-F54 HydrophobicContact CG-CE1 3.97Å; L34-C58 HydrophobicContact CB-CB 3.69Å; L34-C58 HydrophobicContact CD1-CB 3.74Å; L34-C58 HydrophobicContact CG-CB 4.37Å; L34-P78 HydrophobicContact CD1-CB 4.07Å; L34-P78 HydrophobicContact CD1-CG 4.14Å; L34-P78 HydrophobicContact CD2-CB 3.87Å; L34-P78 HydrophobicContact CG-CB 4.35Å
35C96.6Very high88.6Confident47 Ų4773.3 Ų73.332%0.31841%0.405SS..THydrogen-bonded Turntrans-93.2-1.2174.760.90000114C32 S37 C58C32-C35 VanDerWaalsContact CB-SG 3.57Å; C32-C35 VanDerWaalsContact SG-SG 3.63Å; C35-S37 PolarHBondContact O-N 3.2Å; C35-S37 PolarHBondContact O-OG 2.82Å; C35-C58 WeakPolarHBondContact CB-SG 2.92Å
36L95.4Very high90.7Very high122 Ų12273.4 Ų73.464%0.63940%0.397SS*.THydrogen-bonded Turntrans55.133.9179-52.5177.5000113.5F31 C32 K33F31-L36 VanDerWaalsContact CE2-C 3.43Å; F31-L36 WeakPolarHBondContact CE2-O 3.36Å; F31-L36 HydrophobicContact CZ-CB 4.19Å; F31-L36 HydrophobicContact CZ-CD2 4.34Å; C32-L36 WeakPolarHBondContact O-CA 3.4Å; C32-L36 PolarHBondContact O-N 3.15Å; K33-L36 WeakPolarHBondContact O-CD2 3.12Å
37S95.6Very high92.3Very high52 Ų5270.5 Ų70.536%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-130150.7-174.1-60.50000111.3C32 C35C32-S37 PolarHBondContact N-O 3.06Å; C32-S37 PolarHBondContact O-N 3.1Å; C35-S37 PolarHBondContact O-N 3.2Å; C35-S37 PolarHBondContact O-OG 2.82Å
38L96.1Very high93.6Very high98 Ų9870.1 Ų70.151%0.51336%0.361SS..EExtended strand (participates in β ladder)trans-71.1134.9167.7-71.7171.8000109.3D29 F31D29-L38 HydrophobicContact CB-CB 4.31Å; D29-L38 HydrophobicContact CB-CD2 4.38Å; F31-L38 HydrophobicContact CB-CD2 4.03Å; F31-L38 HydrophobicContact CD2-CD2 4.3Å
39Q96.3Very high93.9Very high54 Ų5467.2 Ų67.225%0.25236%0.36SS..EExtended strand (participates in β ladder)trans-133.7144.6-176.4-62-71.7-73.800108.6D29 V30 C32 I44 C55D29-Q39 CarbonylContact C-O 3.59Å; D29-Q39 WeakPolarHBondContact CA-O 3.39Å; V30-Q39 PolarHBondContact N-O 2.86Å; V30-Q39 PolarHBondContact O-N 2.82Å; C32-Q39 HydrophobicContact CB-CG 4.12Å; Q39-I44 HydrophobicContact CB-CD1 3.89Å; Q39-C55 HydrophobicContact CB-CB 4.09Å; Q39-C55 HydrophobicContact CG-CB 3.74Å
40P94.8Very high94Very high57 Ų5765.1 Ų65.137%0.3735%0.349SS..EExtended strand (participates in β ladder)trans-64.7146.717828.3-33.9000110.1E42 A43P40-E42 PolarHBondContact O-N 3.02Å; P40-E42 VanDerWaalsContact O-N 3.15Å; P40-A43 HydrophobicContact CG-CB 3.84Å; P40-A43 PolarHBondContact O-N 2.77Å
41L92.2Very high93.9Very high85 Ų8569.7 Ų69.745%0.44537%0.367SS..G310 helixtrans-54.5-34.6-176.3-173.463.5000113Q28 V30 A43 I44Q28-L41 HydrophobicContact CB-CB 4.39Å; Q28-L41 WeakPolarHBondContact O-CB 3.43Å; Q28-L41 PolarHBondContact O-N 2.93Å; V30-L41 HydrophobicContact CG2-CD1 3.77Å; L41-A43 PolarHBondContact O-N 3.07Å; L41-I44 WeakPolarHBondContact O-CB 3.36Å; L41-I44 PolarHBondContact O-N 3.5Å; L41-I44 VanDerWaalsContact O-N 3.1Å
42E93.2Very high93.8Very high147 Ų14765.4 Ų65.469%0.68735%0.35SS*.G310 helixtrans-67-23178.8-58.976.1-165.700112.9P40P40-E42 PolarHBondContact O-N 3.02Å; P40-E42 VanDerWaalsContact O-N 3.15Å
43A94.1Very high93.7Very high31 Ų3169.1 Ų69.126%0.25637%0.369SS..G310 helixtrans-959.5176.700000112.5P40 L41 C55 T56P40-A43 HydrophobicContact CG-CB 3.84Å; P40-A43 PolarHBondContact O-N 2.77Å; L41-A43 PolarHBondContact O-N 3.07Å; A43-C55 CarbonylContact O-C 3.46Å; A43-C55 WeakPolarHBondContact O-CA 3.49Å; A43-C55 WeakPolarHBondContact O-CB 3.32Å; A43-T56 PolarHBondContact O-N 3.34Å; A43-T56 PolarHBondContact O-OG1 3.47Å; A43-T56 VanDerWaalsContact O-OG1 3.06Å
44I95.6Very high93.9Very high23 Ų2363.6 Ų63.612%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-98.9136.2177.3-61.5-65.3000110.4V30 Q39 L41 M53 C55V30-I44 HydrophobicContact CB-CD1 3.9Å; V30-I44 HydrophobicContact CB-CG1 3.8Å; V30-I44 HydrophobicContact CG1-CD1 4.12Å; V30-I44 HydrophobicContact CG1-CG1 4.27Å; V30-I44 HydrophobicContact CG2-CG1 4.19Å; Q39-I44 HydrophobicContact CB-CD1 3.89Å; L41-I44 WeakPolarHBondContact O-CB 3.36Å; L41-I44 PolarHBondContact O-N 3.5Å; L41-I44 VanDerWaalsContact O-N 3.1Å; I44-M53 HydrophobicContact CG2-CB 3.74Å; I44-M53 HydrophobicContact CG2-CG 4.03Å; I44-M53 HydrophobicContact CG2-SD 4.23Å; I44-C55 HydrophobicContact CD1-CB 4.25Å
45N94.8Very high94Very high49 Ų4960.4 Ų60.426%0.26233%0.328SS..EExtended strand (participates in β ladder)trans-106.3129.4163.9-85.1-96000109.4M53 F54 T56 L59N45-M53 WeakPolarHBondContact O-CA 3.29Å; N45-F54 PolarHBondContact N-O 2.73Å; N45-F54 PolarHBondContact O-N 2.79Å; N45-T56 WeakPolarHBondContact ND2-CA 3.44Å; N45-T56 VanDerWaalsContact ND2-CB 3.32Å; N45-T56 WeakPolarHBondContact ND2-CB 3.23Å; N45-T56 WeakPolarHBondContact ND2-CG2 3.18Å; N45-T56 PolarHBondContact ND2-OG1 2.85Å; N45-L59 HydrophobicContact CB-CD2 3.78Å
46E93.3Very high94Very high101 Ų10160 Ų6047%0.47232%0.324SS..EExtended strand (participates in β ladder)trans-98.8122.4170.6-176.4-171.912200108.8K51 M53E46-K51 HydrophobicContact CG-CD 4.26Å; E46-K51 WeakPolarHBondContact OE1-CD 3.39Å; E46-K51 WeakPolarHBondContact OE1-CE 3.48Å; E46-K51 IonicContact OE1-NZ 3.51Å; E46-K51 PolarHBondContact OE1-NZ 3.26Å; E46-M53 HydrophobicContact CB-CG 4.11Å; E46-M53 HydrophobicContact CG-CG 4.14Å
47L93.1Very high94.1Very high4 Ų456.9 Ų56.92%0.02132%0.316CS..  trans-70.1130.8175-65.7179.2000110.5G49 K51 C52 F54 L59 C77 L88 E92L47-G49 PolarHBondContact O-N 3.37Å; L47-K51 WeakPolarHBondContact O-CA 3.29Å; L47-K51 PolarHBondContact O-N 3.05Å; L47-C52 PolarHBondContact N-O 3.2Å; L47-F54 HydrophobicContact CD1-CD2 4.4Å; L47-F54 HydrophobicContact CD1-CE2 3.99Å; L47-L59 HydrophobicContact CD2-CD1 4.47Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; L47-C77 HydrophobicContact CD1-CB 4.24Å; L47-L88 HydrophobicContact CD1-CD1 4.16Å; L47-L88 HydrophobicContact CD2-CD1 4.48Å; L47-L88 HydrophobicContact CD2-CD2 4.22Å; L47-L88 HydrophobicContact CD2-CG 4.03Å; L47-E92 VanDerWaalsContact CA-OE1 3.23Å; L47-E92 WeakPolarHBondContact CA-OE1 3.22Å
48E90.5Very high94.2Very high117 Ų11755.2 Ų55.255%0.54730%0.304SS..THydrogen-bonded Turntrans-63.5-44.9-175.3-70.8-174.2-14900112K51 L89 E92E48-K51 WeakPolarHBondContact O-CE 3.49Å; E48-L89 HydrophobicContact CB-CD1 4.02Å; E48-E92 PolarHBondContact N-OE1 2.72Å
49G86.8Confident94.2Very high46 Ų4650.6 Ų50.647%0.47428%0.279SS..THydrogen-bonded Turntrans-72.3-32.4-172.800000114.5L47L47-G49 PolarHBondContact O-N 3.37Å
50C92.1Very high94.3Very high13 Ų1351.5 Ų51.59%0.08828%0.284CS..THydrogen-bonded Turntrans-128-4.9-173.266.80000115.5C52 C77 C82 I84C50-C52 PolarHBondContact O-N 3.15Å; C50-C52 VanDerWaalsContact O-N 3.08Å; C50-C52 VanDerWaalsContact SG-SG 3.68Å; C50-C77 VanDerWaalsContact SG-SG 3.67Å; C50-C82 WeakPolarHBondContact CB-SG 3.36Å; C50-I84 HydrophobicContact CB-CB 4.1Å
51K92.2Very high94.5Very high123 Ų12355 Ų5554%0.53530%0.295SS..  trans62.413.5178.1-50.7-65.6174.1-172.10114.5E46 L47 E48E46-K51 HydrophobicContact CG-CD 4.26Å; E46-K51 WeakPolarHBondContact OE1-CD 3.39Å; E46-K51 WeakPolarHBondContact OE1-CE 3.48Å; E46-K51 IonicContact OE1-NZ 3.51Å; E46-K51 PolarHBondContact OE1-NZ 3.26Å; L47-K51 WeakPolarHBondContact O-CA 3.29Å; L47-K51 PolarHBondContact O-N 3.05Å; E48-K51 WeakPolarHBondContact O-CE 3.49Å
52C93.6Very high94.7Very high17 Ų1754.1 Ų54.112%0.11529%0.287CS..  trans-70.2136.7171.2-65.80000109.6L47 C50 F54 C77 C82L47-C52 PolarHBondContact N-O 3.2Å; C50-C52 PolarHBondContact O-N 3.15Å; C50-C52 VanDerWaalsContact O-N 3.08Å; C50-C52 VanDerWaalsContact SG-SG 3.68Å; C52-F54 HydrophobicContact CB-CE2 3.6Å; C52-F54 HydrophobicContact CB-CZ 4.03Å; C52-C77 VanDerWaalsContact SG-SG 3.65Å; C52-C82 VanDerWaalsContact SG-SG 3.7Å
53M94.3Very high94.9Very high78 Ų7847.1 Ų47.138%0.38425%0.254SS..EExtended strand (participates in β ladder)trans-109.5132.8-177.2-69.2-177.3-7100110.9V30 I44 N45 E46V30-M53 HydrophobicContact CG1-CB 4.45Å; V30-M53 HydrophobicContact CG1-CE 4.11Å; V30-M53 HydrophobicContact CG1-SD 4.24Å; I44-M53 HydrophobicContact CG2-CB 3.74Å; I44-M53 HydrophobicContact CG2-CG 4.03Å; I44-M53 HydrophobicContact CG2-SD 4.23Å; N45-M53 WeakPolarHBondContact O-CA 3.29Å; E46-M53 HydrophobicContact CB-CG 4.11Å; E46-M53 HydrophobicContact CG-CG 4.14Å
54F96.3Very high95Very high2 Ų249.1 Ų49.11%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-141.1153.8175.3-54.4-83.8000109.2K33 L34 N45 L47 C52 L59 P78 D79K33-F54 HydrophobicContact CB-CE1 4.31Å; L34-F54 HydrophobicContact CB-CD1 4.49Å; L34-F54 HydrophobicContact CD1-CB 4.3Å; L34-F54 HydrophobicContact CD1-CD1 3.67Å; L34-F54 HydrophobicContact CD1-CE1 4.21Å; L34-F54 HydrophobicContact CD1-CG 4.09Å; L34-F54 HydrophobicContact CG-CD1 3.64Å; L34-F54 HydrophobicContact CG-CE1 3.97Å; N45-F54 PolarHBondContact N-O 2.73Å; N45-F54 PolarHBondContact O-N 2.79Å; L47-F54 HydrophobicContact CD1-CD2 4.4Å; L47-F54 HydrophobicContact CD1-CE2 3.99Å; C52-F54 HydrophobicContact CB-CE2 3.6Å; C52-F54 HydrophobicContact CB-CZ 4.03Å; F54-L59 HydrophobicContact CB-CB 4.4Å; F54-L59 HydrophobicContact CD2-CD1 4.13Å; F54-P78 HydrophobicContact CD2-CG 4.5Å; F54-P78 HydrophobicContact CE1-CB 4.17Å; F54-P78 HydrophobicContact CE1-CG 4.45Å; F54-P78 HydrophobicContact CE2-CG 4.08Å; F54-P78 HydrophobicContact CZ-CB 3.97Å; F54-P78 HydrophobicContact CZ-CG 4.02Å; F54-D79 HydrophobicContact CZ-CB 3.9Å
55C97.5Very high95.1Very high3 Ų352.4 Ų52.42%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-68.3146.717269.70000111.5C32 Q39 A43 I44 A57 C58 L59C32-C55 HydrophobicContact CB-CB 4.25Å; C32-C55 PolarHBondContact SG-N 3.33Å; C32-C55 VanDerWaalsContact SG-SG 3.64Å; Q39-C55 HydrophobicContact CB-CB 4.09Å; Q39-C55 HydrophobicContact CG-CB 3.74Å; A43-C55 CarbonylContact O-C 3.46Å; A43-C55 WeakPolarHBondContact O-CA 3.49Å; A43-C55 WeakPolarHBondContact O-CB 3.32Å; I44-C55 HydrophobicContact CD1-CB 4.25Å; C55-A57 VanDerWaalsContact C-N 3.27Å; C55-A57 PolarHBondContact O-N 2.94Å; C55-C58 PolarHBondContact O-N 3.12Å; C55-C58 VanDerWaalsContact O-N 3.15Å; C55-C58 PolarHBondContact SG-SG 3.17Å; C55-L59 PolarHBondContact O-N 3.44Å
56T96.8Very high95Very high39 Ų3951.1 Ų51.124%0.23927%0.271CS..Hα-helixtrans-51-48.2-177.1-46.50000111.1A43 N45 C58 L59 Q60A43-T56 PolarHBondContact O-N 3.34Å; A43-T56 PolarHBondContact O-OG1 3.47Å; A43-T56 VanDerWaalsContact O-OG1 3.06Å; N45-T56 WeakPolarHBondContact ND2-CA 3.44Å; N45-T56 VanDerWaalsContact ND2-CB 3.32Å; N45-T56 WeakPolarHBondContact ND2-CB 3.23Å; N45-T56 WeakPolarHBondContact ND2-CG2 3.18Å; N45-T56 PolarHBondContact ND2-OG1 2.85Å; T56-C58 PolarHBondContact O-N 3.43Å; T56-L59 PolarHBondContact O-N 3.39Å; T56-Q60 HydrophobicContact CG2-CG 4.18Å; T56-Q60 WeakPolarHBondContact O-CB 3.37Å; T56-Q60 VanDerWaalsContact O-CG 3.23Å; T56-Q60 WeakPolarHBondContact O-CG 3.41Å; T56-Q60 PolarHBondContact O-N 2.85Å
57A97.3Very high95.1Very high55 Ų5546.3 Ų46.346%0.45525%0.249SC..Hα-helixtrans-59-45-177.700000112.8C55 Q61C55-A57 VanDerWaalsContact C-N 3.27Å; C55-A57 PolarHBondContact O-N 2.94Å; A57-Q61 WeakPolarHBondContact O-CG 3.23Å; A57-Q61 PolarHBondContact O-N 3.02Å; A57-Q61 VanDerWaalsContact O-N 3.12Å
58C97.9Very high95.1Very high17 Ų1752.4 Ų52.412%0.11528%0.279CS..Hα-helixtrans-67.2-41.3177.7-74.30000112.1L34 C35 C55 T56 Q61 Y62L34-C58 HydrophobicContact CB-CB 3.69Å; L34-C58 HydrophobicContact CD1-CB 3.74Å; L34-C58 HydrophobicContact CG-CB 4.37Å; C35-C58 WeakPolarHBondContact CB-SG 2.92Å; C55-C58 PolarHBondContact O-N 3.12Å; C55-C58 VanDerWaalsContact O-N 3.15Å; C55-C58 PolarHBondContact SG-SG 3.17Å; T56-C58 PolarHBondContact O-N 3.43Å; C58-Q61 PolarHBondContact O-N 3.27Å; C58-Y62 WeakPolarHBondContact O-CB 3.23Å; C58-Y62 PolarHBondContact O-N 3.09Å
59L96.8Very high95.1Very high1 Ų154 Ų541%0.00529%0.286CS..Hα-helixtrans-68.7-39-178.4-163.463000111.1N45 L47 F54 C55 T56 Y62 V63 P78 L96N45-L59 HydrophobicContact CB-CD2 3.78Å; L47-L59 HydrophobicContact CD2-CD1 4.47Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; F54-L59 HydrophobicContact CB-CB 4.4Å; F54-L59 HydrophobicContact CD2-CD1 4.13Å; C55-L59 PolarHBondContact O-N 3.44Å; T56-L59 PolarHBondContact O-N 3.39Å; L59-Y62 HydrophobicContact CD1-CD1 4.45Å; L59-Y62 PolarHBondContact O-N 3.1Å; L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 3.35Å; L59-P78 HydrophobicContact CD1-CG 3.95Å; L59-L96 HydrophobicContact CB-CD2 4.22Å; L59-L96 HydrophobicContact CD2-CD1 3.63Å; L59-L96 HydrophobicContact CD2-CD2 3.98Å; L59-L96 HydrophobicContact CD2-CG 4.47Å; L59-L96 HydrophobicContact CG-CD1 3.68Å; L59-L96 HydrophobicContact CG-CD2 4.12Å
60Q97.9Very high95Very high73 Ų7353.1 Ų53.134%0.34128%0.277SS..Hα-helixtrans-58.7-52172.1-70.9-177.2-36.100111.4T56 Y62 V63 Q64 L96T56-Q60 HydrophobicContact CG2-CG 4.18Å; T56-Q60 WeakPolarHBondContact O-CB 3.37Å; T56-Q60 VanDerWaalsContact O-CG 3.23Å; T56-Q60 WeakPolarHBondContact O-CG 3.41Å; T56-Q60 PolarHBondContact O-N 2.85Å; Q60-Y62 VanDerWaalsContact C-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.15Å; Q60-V63 PolarHBondContact O-N 3.29Å; Q60-Q64 WeakPolarHBondContact O-CB 3.35Å; Q60-Q64 WeakPolarHBondContact O-CG 3.38Å; Q60-Q64 PolarHBondContact O-N 3.48Å; Q60-L96 HydrophobicContact CG-CB 4.37Å; Q60-L96 HydrophobicContact CG-CD2 3.95Å; Q60-L96 VanDerWaalsContact CG-O 3.29Å; Q60-L96 WeakPolarHBondContact CG-O 3.26Å
61Q97.6Very high94.8Very high132 Ų13254.2 Ų54.262%0.61729%0.291SS*.Hα-helixtrans-58-43.9178.1-73.6176-8.900112.2A57 C58 Q64 L65A57-Q61 WeakPolarHBondContact O-CG 3.23Å; A57-Q61 PolarHBondContact O-N 3.02Å; A57-Q61 VanDerWaalsContact O-N 3.12Å; C58-Q61 PolarHBondContact O-N 3.27Å; Q61-Q64 PolarHBondContact O-N 3.22Å; Q61-L65 WeakPolarHBondContact O-CB 3.17Å; Q61-L65 PolarHBondContact O-N 3.1Å
62Y97.2Very high94.7Very high66 Ų6648.5 Ų48.526%0.25927%0.267SS..Hα-helixtrans-59.3-50.4176.9172.4-99.1000112C58 L59 Q60 L65 A66 I75 T76 P78C58-Y62 WeakPolarHBondContact O-CB 3.23Å; C58-Y62 PolarHBondContact O-N 3.09Å; L59-Y62 HydrophobicContact CD1-CD1 4.45Å; L59-Y62 PolarHBondContact O-N 3.1Å; Q60-Y62 VanDerWaalsContact C-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.15Å; Y62-L65 PolarHBondContact O-N 2.96Å; Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.4Å; Y62-A66 PolarHBondContact O-N 3.25Å; Y62-I75 HydrophobicContact CD1-CG2 4.4Å; Y62-I75 HydrophobicContact CE1-CG2 3.6Å; Y62-T76 WeakPolarHBondContact CE1-O 3.34Å; Y62-T76 PolarHBondContact OH-O 2.88Å; Y62-P78 HydrophobicContact CD1-CG 3.71Å; Y62-P78 HydrophobicContact CD2-CB 4.38Å; Y62-P78 HydrophobicContact CD2-CG 4.29Å; Y62-P78 HydrophobicContact CE1-CG 3.74Å; Y62-P78 HydrophobicContact CE2-CB 4.3Å; Y62-P78 HydrophobicContact CE2-CG 4.32Å; Y62-P78 HydrophobicContact CG-CG 4Å
63V97.3Very high94.5Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-67.2-40.7-178.5178.40000110.9L59 Q60 L65 A66 V67 I75 L88 I93 L96 V97L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 3.35Å; Q60-V63 PolarHBondContact O-N 3.29Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 3.02Å; V63-A66 PolarHBondContact O-N 3.38Å; V63-V67 HydrophobicContact CG1-CG2 4.27Å; V63-V67 VanDerWaalsContact O-CG2 3.3Å; V63-V67 WeakPolarHBondContact O-CG2 3.31Å; V63-V67 PolarHBondContact O-N 2.97Å; V63-I75 HydrophobicContact CG1-CD1 3.93Å; V63-I75 HydrophobicContact CG2-CG2 4.47Å; V63-L88 HydrophobicContact CG2-CD2 3.77Å; V63-I93 HydrophobicContact CG1-CB 4.43Å; V63-I93 HydrophobicContact CG1-CG1 4.35Å; V63-I93 HydrophobicContact CG1-CG2 3.9Å; V63-L96 HydrophobicContact CB-CB 4.41Å; V63-L96 HydrophobicContact CG2-CB 4.4Å; V63-L96 HydrophobicContact CG2-CD1 3.8Å; V63-V97 HydrophobicContact CB-CG1 3.99Å; V63-V97 HydrophobicContact CG1-CG1 3.51Å
64Q97.2Very high94.4Very high73 Ų7349.1 Ų49.134%0.34128%0.278SS..Hα-helixtrans-56.9-48.8175.6-71.4175.9-1.900111.5Q60 Q61 V67 M68 V97Q60-Q64 WeakPolarHBondContact O-CB 3.35Å; Q60-Q64 WeakPolarHBondContact O-CG 3.38Å; Q60-Q64 PolarHBondContact O-N 3.48Å; Q61-Q64 PolarHBondContact O-N 3.22Å; Q64-V67 PolarHBondContact O-N 2.99Å; Q64-M68 VanDerWaalsContact O-CG 3.29Å; Q64-M68 WeakPolarHBondContact O-CG 3.44Å; Q64-M68 PolarHBondContact O-N 2.96Å; Q64-V97 HydrophobicContact CG-CB 4.48Å; Q64-V97 HydrophobicContact CG-CG1 3.76Å
65L95.7Very high94.3Very high91 Ų9149.3 Ų49.348%0.47628%0.279SS..Hα-helixtrans-62.9-45177.3-172.866.6000111.3Q61 Y62 V63 V67 M68 E69Q61-L65 WeakPolarHBondContact O-CB 3.17Å; Q61-L65 PolarHBondContact O-N 3.1Å; Y62-L65 PolarHBondContact O-N 2.96Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 3.02Å; L65-V67 VanDerWaalsContact C-N 3.3Å; L65-V67 PolarHBondContact O-N 3.38Å; L65-M68 PolarHBondContact O-N 2.93Å; L65-M68 VanDerWaalsContact O-N 3.16Å; L65-E69 HydrophobicContact CD1-CG 3.93Å; L65-E69 WeakPolarHBondContact CD1-OE1 3.29Å; L65-E69 HydrophobicContact CG-CG 4.46Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 PolarHBondContact O-N 2.89Å
66A94.5Very high94.1Very high22 Ų2251.8 Ų51.818%0.18230%0.295CS..Hα-helixtrans-63.3-34179.200000112.8Y62 V63 G70 I75Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.4Å; Y62-A66 PolarHBondContact O-N 3.25Å; V63-A66 PolarHBondContact O-N 3.38Å; A66-G70 WeakPolarHBondContact O-CA 3.41Å; A66-G70 PolarHBondContact O-N 3.01Å; A66-I75 HydrophobicContact CB-CD1 3.92Å; A66-I75 HydrophobicContact CB-CG1 3.93Å; A66-I75 HydrophobicContact CB-CG2 3.91Å
67V95.6Very high94Very high0 Ų050.3 Ų50.30%029%0.286CS..Hα-helixtrans-67.7-45.5172.5169.40000110.9V63 Q64 L65 I75 Q101 L104 Y105V63-V67 HydrophobicContact CG1-CG2 4.27Å; V63-V67 VanDerWaalsContact O-CG2 3.3Å; V63-V67 WeakPolarHBondContact O-CG2 3.31Å; V63-V67 PolarHBondContact O-N 2.97Å; Q64-V67 PolarHBondContact O-N 2.99Å; L65-V67 VanDerWaalsContact C-N 3.3Å; L65-V67 PolarHBondContact O-N 3.38Å; V67-I75 HydrophobicContact CG2-CD1 3.75Å; V67-Q101 HydrophobicContact CG1-CB 4.3Å; V67-Q101 WeakPolarHBondContact CG1-O 3.4Å; V67-L104 HydrophobicContact CG1-CD2 4.19Å; V67-L104 HydrophobicContact CG1-CG 4.36Å; V67-Y105 HydrophobicContact CG2-CD2 4.03Å; V67-Y105 HydrophobicContact CG2-CG 4.14Å
68M92.5Very high93.8Very high133 Ų13348.8 Ų48.866%0.65527%0.271SS*.Hα-helixtrans-69.6-40.8-176.1-70.3177.868.200112.8Q64 L65Q64-M68 VanDerWaalsContact O-CG 3.29Å; Q64-M68 WeakPolarHBondContact O-CG 3.44Å; Q64-M68 PolarHBondContact O-N 2.96Å; L65-M68 PolarHBondContact O-N 2.93Å; L65-M68 VanDerWaalsContact O-N 3.16Å
69E89.5Confident93.5Very high150 Ų15049.3 Ų49.370%0.70127%0.273SS*.Hα-helixtrans-103-21.1-173.2-61.2-173.9163.900113.4L65 G71L65-E69 HydrophobicContact CD1-CG 3.93Å; L65-E69 WeakPolarHBondContact CD1-OE1 3.29Å; L65-E69 HydrophobicContact CG-CG 4.46Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 PolarHBondContact O-N 2.89Å; E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.35Å
70G86.1Confident93Very high27 Ų2758.5 Ų58.528%0.27832%0.318SS..SBendtrans-76.5-11.8-170.400000115.3A66 G72 A73 R112A66-G70 WeakPolarHBondContact O-CA 3.41Å; A66-G70 PolarHBondContact O-N 3.01Å; G70-G72 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.43Å; G70-A73 VanDerWaalsContact O-CB 3.26Å; G70-A73 WeakPolarHBondContact O-CB 3.36Å; G70-A73 PolarHBondContact O-N 3.4Å; G70-R112 PolarHBondContact O-NH1 3.05Å
71G87.3Confident92.5Very high37 Ų3758.8 Ų58.838%0.38133%0.333SS..THydrogen-bonded Turntrans54.443.4178.500000112.7E69 A73 R112E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.35Å; G71-A73 VanDerWaalsContact C-N 3.3Å; G71-A73 PolarHBondContact O-N 3.04Å; G71-R112 PolarHBondContact O-NH1 3.35Å
72G90.7Very high92.1Very high3 Ų352.8 Ų52.83%0.03131%0.306CS..THydrogen-bonded Turntrans7413.3179.800000115.2G70 R112G70-G72 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.43Å; G72-R112 VanDerWaalsContact O-CD 3.23Å; G72-R112 WeakPolarHBondContact O-CD 3.14Å
73A89.6Confident91.3Very high24 Ų2455.3 Ų55.320%0.19833%0.33CS..PPolyproline II helixtrans-61.1151.1171.300000110.7G70 G71 I75 Y105 R112G70-A73 VanDerWaalsContact O-CB 3.26Å; G70-A73 WeakPolarHBondContact O-CB 3.36Å; G70-A73 PolarHBondContact O-N 3.4Å; G71-A73 VanDerWaalsContact C-N 3.3Å; G71-A73 PolarHBondContact O-N 3.04Å; A73-I75 PolarHBondContact O-N 3.5Å; A73-Y105 WeakPolarHBondContact O-CE2 3.46Å; A73-Y105 PolarHBondContact O-OH 2.79Å; A73-Y105 VanDerWaalsContact O-OH 3.05Å; A73-R112 VanDerWaalsContact CA-CZ 3.45Å; A73-R112 VanDerWaalsContact N-NH1 3.18Å
74P91Very high90.6Very high83 Ų8360.4 Ų60.454%0.53936%0.356SS..PPolyproline II helixtrans-55.2124.4165.8-22.833.8000109.8A87P74-A87 HydrophobicContact CB-CB 3.98Å
75I93.9Very high89.3Confident6 Ų661 Ų613%0.03137%0.365CS..PPolyproline II helixtrans-78.8124.3174.3-56.6179.5000106.3Y62 V63 A66 V67 A73 A87 L88 I93 Y105Y62-I75 HydrophobicContact CD1-CG2 4.4Å; Y62-I75 HydrophobicContact CE1-CG2 3.6Å; V63-I75 HydrophobicContact CG1-CD1 3.93Å; V63-I75 HydrophobicContact CG2-CG2 4.47Å; A66-I75 HydrophobicContact CB-CD1 3.92Å; A66-I75 HydrophobicContact CB-CG1 3.93Å; A66-I75 HydrophobicContact CB-CG2 3.91Å; V67-I75 HydrophobicContact CG2-CD1 3.75Å; A73-I75 PolarHBondContact O-N 3.5Å; I75-A87 CarbonylContact O-C 3.6Å; I75-A87 VanDerWaalsContact O-CA 3.28Å; I75-A87 WeakPolarHBondContact O-CA 3.32Å; I75-L88 HydrophobicContact CG2-CD1 4.47Å; I75-L88 HydrophobicContact CG2-CD2 4.11Å; I75-L88 PolarHBondContact O-N 3.48Å; I75-I93 HydrophobicContact CB-CD1 4.37Å; I75-I93 HydrophobicContact CD1-CD1 3.98Å; I75-I93 HydrophobicContact CD1-CG1 4.29Å; I75-I93 HydrophobicContact CG1-CD1 4.38Å; I75-Y105 HydrophobicContact CD1-CD2 4.24Å; I75-Y105 HydrophobicContact CD1-CE2 3.93Å; I75-Y105 HydrophobicContact CG1-CE2 3.9Å
76T93.2Very high88.2Confident56 Ų5657.6 Ų57.634%0.34435%0.352SS..BIsolated β-bridgetrans-106.6166.4-17557.10000111.7Y62 G86 L88Y62-T76 WeakPolarHBondContact CE1-O 3.34Å; Y62-T76 PolarHBondContact OH-O 2.88Å; T76-G86 WeakPolarHBondContact CA-O 3.37Å; T76-L88 WeakPolarHBondContact O-CD1 3.48Å
77C94.9Very high87.9Confident7 Ų759.2 Ų59.25%0.04737%0.365CS..  trans-49.7133.1171.3-176.60000111.3L47 C50 C52 D79 C82 G86L47-C77 HydrophobicContact CD1-CB 4.24Å; C50-C77 VanDerWaalsContact SG-SG 3.67Å; C52-C77 VanDerWaalsContact SG-SG 3.65Å; C77-D79 PolarHBondContact O-N 3.26Å; C77-D79 PolarHBondContact SG-N 2.85Å; C77-C82 HydrophobicContact CB-CB 4.2Å; C77-G86 PolarHBondContact N-O 2.93Å; C77-G86 VanDerWaalsContact N-O 3.08Å
78P93.9Very high87.8Confident23 Ų2359.7 Ų59.715%0.14937%0.368CS..SBendtrans-66.8-20176.9-18.528.3000114.5L34 F54 L59 Y62 M80L34-P78 HydrophobicContact CD1-CB 4.07Å; L34-P78 HydrophobicContact CD1-CG 4.14Å; L34-P78 HydrophobicContact CD2-CB 3.87Å; L34-P78 HydrophobicContact CG-CB 4.35Å; F54-P78 HydrophobicContact CD2-CG 4.5Å; F54-P78 HydrophobicContact CE1-CB 4.17Å; F54-P78 HydrophobicContact CE1-CG 4.45Å; F54-P78 HydrophobicContact CE2-CG 4.08Å; F54-P78 HydrophobicContact CZ-CB 3.97Å; F54-P78 HydrophobicContact CZ-CG 4.02Å; L59-P78 HydrophobicContact CD1-CG 3.95Å; Y62-P78 HydrophobicContact CD1-CG 3.71Å; Y62-P78 HydrophobicContact CD2-CB 4.38Å; Y62-P78 HydrophobicContact CD2-CG 4.29Å; Y62-P78 HydrophobicContact CE1-CG 3.74Å; Y62-P78 HydrophobicContact CE2-CB 4.3Å; Y62-P78 HydrophobicContact CE2-CG 4.32Å; Y62-P78 HydrophobicContact CG-CG 4Å; P78-M80 PolarHBondContact O-N 3.24Å
79D92.1Very high87.9Confident28 Ų2856.9 Ų56.915%0.1536%0.355CS..  trans-78.7112.5180-170.8-10.4000110.6K33 F54 C77 A81 C82K33-D79 IonicContact NZ-OD2 2.72Å; K33-D79 PolarHBondContact NZ-OD2 3.36Å; F54-D79 HydrophobicContact CZ-CB 3.9Å; C77-D79 PolarHBondContact O-N 3.26Å; C77-D79 PolarHBondContact SG-N 2.85Å; D79-A81 PolarHBondContact O-N 2.96Å; D79-A81 WeakPolarHBondContact OD1-CB 3.31Å; D79-A81 PolarHBondContact OD1-N 2.91Å; D79-C82 HydrophobicContact CB-CB 4.18Å; D79-C82 WeakPolarHBondContact O-CB 3.48Å; D79-C82 PolarHBondContact O-N 3.2Å
80M85.8Confident88.1Confident194 Ų19453.2 Ų53.296%0.95634%0.34SS*.THydrogen-bonded Turntrans-64.7-22.2177.2-65.8-175.366.600113.5P78 C82P78-M80 PolarHBondContact O-N 3.24Å; M80-C82 VanDerWaalsContact C-N 3.33Å
81A87.1Confident88.5Confident80 Ų8055.3 Ų55.366%0.66135%0.35SS*.THydrogen-bonded Turntrans-94.29.5175.400000112.4D79D79-A81 PolarHBondContact O-N 2.96Å; D79-A81 WeakPolarHBondContact OD1-CB 3.31Å; D79-A81 PolarHBondContact OD1-N 2.91Å
82C89.9Confident88.9Confident6 Ų654.3 Ų54.34%0.04134%0.336CS..  trans-59.1125.3175.7-174.60000110C50 C52 C77 D79 M80 I84 T85C50-C82 WeakPolarHBondContact CB-SG 3.36Å; C52-C82 VanDerWaalsContact SG-SG 3.7Å; C77-C82 HydrophobicContact CB-CB 4.2Å; D79-C82 HydrophobicContact CB-CB 4.18Å; D79-C82 WeakPolarHBondContact O-CB 3.48Å; D79-C82 PolarHBondContact O-N 3.2Å; M80-C82 VanDerWaalsContact C-N 3.33Å; C82-I84 VanDerWaalsContact C-N 3.3Å; C82-I84 PolarHBondContact O-N 3.31Å; C82-T85 PolarHBondContact O-OG1 2.97Å; C82-T85 PolarHBondContact SG-N 3.32Å; C82-T85 VanDerWaalsContact SG-N 3.42Å
83P79.6Confident89.2Confident118 Ų11854.2 Ų54.277%0.76633%0.334SS*.SBendtrans-73.3-23.8-17727.3-33.9000113.2
84I82Confident89.5Confident108 Ų10855.3 Ų55.355%0.55434%0.344SS*.SBendtrans-98.1-24.6-176.5-64.1166.6000110.8C50 C82 G86C50-I84 HydrophobicContact CB-CB 4.1Å; C82-I84 VanDerWaalsContact C-N 3.3Å; C82-I84 PolarHBondContact O-N 3.31Å; I84-G86 PolarHBondContact O-N 3.22Å
85T70.1Confident89.7Confident85 Ų8555.3 Ų55.352%0.52135%0.346SS..  trans3945.3-177.9-38.40000112.2C82C82-T85 PolarHBondContact O-OG1 2.97Å; C82-T85 PolarHBondContact SG-N 3.32Å; C82-T85 VanDerWaalsContact SG-N 3.42Å
86G73.1Confident89.9Confident20 Ų2055.2 Ų55.221%0.20635%0.345CS..PPolyproline II helixtrans-74.1149.6-174.300000112T76 C77 I84T76-G86 WeakPolarHBondContact CA-O 3.37Å; C77-G86 PolarHBondContact N-O 2.93Å; C77-G86 VanDerWaalsContact N-O 3.08Å; I84-G86 PolarHBondContact O-N 3.22Å
87A88.6Confident90.1Very high55 Ų5553.2 Ų53.246%0.45533%0.333SS..BIsolated β-bridgetrans-68.7139.3162.800000109.2P74 I75P74-A87 HydrophobicContact CB-CB 3.98Å; I75-A87 CarbonylContact O-C 3.6Å; I75-A87 VanDerWaalsContact O-CA 3.28Å; I75-A87 WeakPolarHBondContact O-CA 3.32Å
88L93.8Very high90.2Very high11 Ų1154.6 Ų54.66%0.05835%0.345CS..PPolyproline II helixtrans-61.8143.1170-84.264.3000109.1L47 V63 I75 T76 E92 I93L47-L88 HydrophobicContact CD1-CD1 4.16Å; L47-L88 HydrophobicContact CD2-CD1 4.48Å; L47-L88 HydrophobicContact CD2-CD2 4.22Å; L47-L88 HydrophobicContact CD2-CG 4.03Å; V63-L88 HydrophobicContact CG2-CD2 3.77Å; I75-L88 HydrophobicContact CG2-CD1 4.47Å; I75-L88 HydrophobicContact CG2-CD2 4.11Å; I75-L88 PolarHBondContact O-N 3.48Å; T76-L88 WeakPolarHBondContact O-CD1 3.48Å; L88-E92 WeakPolarHBondContact CA-OE2 3.32Å; L88-I93 HydrophobicContact CB-CD1 4.29Å; L88-I93 HydrophobicContact CB-CG1 4.03Å
89L93.5Very high90.3Very high74 Ų7458.2 Ų58.239%0.38737%0.368SS..PPolyproline II helixtrans-70.5151.7175.1-58.3174.4000110.3E48 S91 E92 I93E48-L89 HydrophobicContact CB-CD1 4.02Å; L89-S91 PolarHBondContact O-N 2.87Å; L89-E92 HydrophobicContact CB-CB 4.4Å; L89-E92 HydrophobicContact CB-CG 4.05Å; L89-E92 PolarHBondContact N-OE2 3.46Å; L89-E92 PolarHBondContact O-N 2.77Å; L89-E92 VanDerWaalsContact O-N 3.1Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.08Å
90D94.3Very high90.6Very high72 Ų7264.1 Ų64.139%0.38539%0.389SS..Hα-helixtrans-61.6-29176.5-69.5-25.4000111.4A94 K109D90-A94 VanDerWaalsContact O-CB 3.29Å; D90-A94 WeakPolarHBondContact O-CB 3.19Å; D90-A94 PolarHBondContact O-N 2.85Å; D90-K109 IonicContact OD1-NZ 2.85Å; D90-K109 PolarHBondContact OD1-NZ 2.79Å; D90-K109 IonicContact OD2-NZ 3.98Å; D90-K109 PolarHBondContact OD2-NZ 3.39Å
91S94.8Very high91.1Very high71 Ų7155.2 Ų55.250%0.49735%0.345SS..Hα-helixtrans-67.7-42.6172.950.50000113L89 A94 S95L89-S91 PolarHBondContact O-N 2.87Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-S95 PolarHBondContact O-N 3.44Å; S91-S95 VanDerWaalsContact O-N 3.1Å
92E95.1Very high91.6Very high16 Ų1652.4 Ų52.48%0.07532%0.32CS..Hα-helixtrans-64.5-42.9175.6-67.2175124.600110.5L47 E48 L88 L89 A94 S95 L96L47-E92 VanDerWaalsContact CA-OE1 3.23Å; L47-E92 WeakPolarHBondContact CA-OE1 3.22Å; E48-E92 PolarHBondContact N-OE1 2.72Å; L88-E92 WeakPolarHBondContact CA-OE2 3.32Å; L89-E92 HydrophobicContact CB-CB 4.4Å; L89-E92 HydrophobicContact CB-CG 4.05Å; L89-E92 PolarHBondContact N-OE2 3.46Å; L89-E92 PolarHBondContact O-N 2.77Å; L89-E92 VanDerWaalsContact O-N 3.1Å; E92-A94 VanDerWaalsContact C-N 3.34Å; E92-A94 PolarHBondContact O-N 2.93Å; E92-S95 PolarHBondContact O-N 3.47Å; E92-S95 PolarHBondContact O-OG 3.45Å; E92-L96 VanDerWaalsContact O-CD1 3.23Å; E92-L96 WeakPolarHBondContact O-CD1 3.41Å; E92-L96 WeakPolarHBondContact O-CG 3.46Å; E92-L96 PolarHBondContact O-N 3.16Å
93I96.4Very high91.9Very high1 Ų158.5 Ų58.51%0.00535%0.348CS..Hα-helixtrans-61.4-47175.9-64.5167.7000109.5V63 I75 L88 L89 S95 L96 V97 Y105V63-I93 HydrophobicContact CG1-CB 4.43Å; V63-I93 HydrophobicContact CG1-CG1 4.35Å; V63-I93 HydrophobicContact CG1-CG2 3.9Å; I75-I93 HydrophobicContact CB-CD1 4.37Å; I75-I93 HydrophobicContact CD1-CD1 3.98Å; I75-I93 HydrophobicContact CD1-CG1 4.29Å; I75-I93 HydrophobicContact CG1-CD1 4.38Å; L88-I93 HydrophobicContact CB-CD1 4.29Å; L88-I93 HydrophobicContact CB-CG1 4.03Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.08Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.93Å; I93-L96 PolarHBondContact O-N 3.36Å; I93-V97 HydrophobicContact CG2-CG2 4.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 2.82Å; I93-Y105 HydrophobicContact CD1-CD1 4.07Å; I93-Y105 HydrophobicContact CD1-CE1 3.46Å; I93-Y105 VanDerWaalsContact CD1-CE1 3.46Å; I93-Y105 HydrophobicContact CG2-CD1 4.23Å
94A96.9Very high92.7Very high47 Ų4755.1 Ų55.139%0.38832%0.323SS..Hα-helixtrans-63.2-28.7-178.300000114.4D90 S91 E92 V102D90-A94 VanDerWaalsContact O-CB 3.29Å; D90-A94 WeakPolarHBondContact O-CB 3.19Å; D90-A94 PolarHBondContact O-N 2.85Å; S91-A94 PolarHBondContact O-N 3.19Å; E92-A94 VanDerWaalsContact C-N 3.34Å; E92-A94 PolarHBondContact O-N 2.93Å; A94-V102 HydrophobicContact CB-CG1 4.34Å; A94-V102 HydrophobicContact CB-CG2 4.08Å
95S95.9Very high93.4Very high83 Ų8350.3 Ų50.358%0.5830%0.298SS*.Hα-helixtrans-80.2-18.2175.567.30000113.5S91 E92 I93S91-S95 PolarHBondContact O-N 3.44Å; S91-S95 VanDerWaalsContact O-N 3.1Å; E92-S95 PolarHBondContact O-N 3.47Å; E92-S95 PolarHBondContact O-OG 3.45Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.93Å
96L96.7Very high94.6Very high5 Ų551 Ų513%0.02630%0.296CS..Hα-helixtrans-100.3-14.7-174.2-67.7167.7000114L59 Q60 V63 E92 I93L59-L96 HydrophobicContact CB-CD2 4.22Å; L59-L96 HydrophobicContact CD2-CD1 3.63Å; L59-L96 HydrophobicContact CD2-CD2 3.98Å; L59-L96 HydrophobicContact CD2-CG 4.47Å; L59-L96 HydrophobicContact CG-CD1 3.68Å; L59-L96 HydrophobicContact CG-CD2 4.12Å; Q60-L96 HydrophobicContact CG-CB 4.37Å; Q60-L96 HydrophobicContact CG-CD2 3.95Å; Q60-L96 VanDerWaalsContact CG-O 3.29Å; Q60-L96 WeakPolarHBondContact CG-O 3.26Å; V63-L96 HydrophobicContact CB-CB 4.41Å; V63-L96 HydrophobicContact CG2-CB 4.4Å; V63-L96 HydrophobicContact CG2-CD1 3.8Å; E92-L96 VanDerWaalsContact O-CD1 3.23Å; E92-L96 WeakPolarHBondContact O-CD1 3.41Å; E92-L96 WeakPolarHBondContact O-CG 3.46Å; E92-L96 PolarHBondContact O-N 3.16Å; I93-L96 PolarHBondContact O-N 3.36Å
97V97.1Very high95.7Very high14 Ų1457 Ų579%0.08531%0.312CS..SBendtrans-131.4164.4-178.6-56.40000112.5V63 Q64 I93 Q101 V102V63-V97 HydrophobicContact CB-CG1 3.99Å; V63-V97 HydrophobicContact CG1-CG1 3.51Å; Q64-V97 HydrophobicContact CG-CB 4.48Å; Q64-V97 HydrophobicContact CG-CG1 3.76Å; I93-V97 HydrophobicContact CG2-CG2 4.24Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 2.82Å; V97-Q101 HydrophobicContact CB-CB 3.88Å; V97-Q101 HydrophobicContact CG2-CB 3.69Å; V97-V102 HydrophobicContact CG2-CG2 3.65Å
98A97.4Very high95.9Very high36 Ų3656 Ų5630%0.29830%0.299SS..  trans-68.2154176.800000111.4Y100 Q101 V102A98-Y100 VanDerWaalsContact C-N 3.28Å; A98-Y100 HydrophobicContact CB-CD1 3.58Å; A98-Y100 HydrophobicContact CB-CE1 3.44Å; A98-Y100 VanDerWaalsContact CB-CE1 3.44Å; A98-Y100 PolarHBondContact O-N 3.35Å; A98-Y100 VanDerWaalsContact O-N 3.15Å; A98-Q101 WeakPolarHBondContact O-CA 3.3Å; A98-Q101 WeakPolarHBondContact O-CB 3.43Å; A98-Q101 PolarHBondContact O-N 2.87Å; A98-V102 PolarHBondContact O-N 3.3Å
99P97.3Very high95.9Very high98 Ų9859.5 Ų59.564%0.63631%0.313SS*.Hα-helixtrans-52.9-40.5-176.8-2935.3000114.4Q101 V102 E103P99-Q101 PolarHBondContact O-N 2.88Å; P99-V102 WeakPolarHBondContact O-CB 3.31Å; P99-V102 PolarHBondContact O-N 2.87Å; P99-V102 VanDerWaalsContact O-N 3.09Å; P99-E103 PolarHBondContact O-N 3.32Å
100Y96.6Very high96Very high152 Ų15261.6 Ų61.660%0.59632%0.32SS*.Hα-helixtrans-63.3-30178.180-90.5000113.1A98 L104A98-Y100 VanDerWaalsContact C-N 3.28Å; A98-Y100 HydrophobicContact CB-CD1 3.58Å; A98-Y100 HydrophobicContact CB-CE1 3.44Å; A98-Y100 VanDerWaalsContact CB-CE1 3.44Å; A98-Y100 PolarHBondContact O-N 3.35Å; A98-Y100 VanDerWaalsContact O-N 3.15Å; Y100-L104 WeakPolarHBondContact O-CB 3.46Å; Y100-L104 PolarHBondContact O-N 2.68Å
101Q96.8Very high95.8Very high7 Ų761.7 Ų61.73%0.03332%0.318CS..Hα-helixtrans-75.4-33.5176.2-61.5-178-80.800110.8V67 V97 A98 P99 L104 Y105V67-Q101 HydrophobicContact CG1-CB 4.3Å; V67-Q101 WeakPolarHBondContact CG1-O 3.4Å; V97-Q101 HydrophobicContact CB-CB 3.88Å; V97-Q101 HydrophobicContact CG2-CB 3.69Å; A98-Q101 WeakPolarHBondContact O-CA 3.3Å; A98-Q101 WeakPolarHBondContact O-CB 3.43Å; A98-Q101 PolarHBondContact O-N 2.87Å; P99-Q101 PolarHBondContact O-N 2.88Å; Q101-L104 PolarHBondContact O-N 3.36Å; Q101-Y105 VanDerWaalsContact O-CB 3.31Å; Q101-Y105 WeakPolarHBondContact O-CB 3.44Å; Q101-Y105 PolarHBondContact O-N 2.86Å
102V97.3Very high95.6Very high21 Ų2159.9 Ų59.913%0.12730%0.3CS..Hα-helixtrans-63.1-48.8172.4-175.10000110.2A94 V97 A98 P99 L104 Y105 Q106A94-V102 HydrophobicContact CB-CG1 4.34Å; A94-V102 HydrophobicContact CB-CG2 4.08Å; V97-V102 HydrophobicContact CG2-CG2 3.65Å; A98-V102 PolarHBondContact O-N 3.3Å; P99-V102 WeakPolarHBondContact O-CB 3.31Å; P99-V102 PolarHBondContact O-N 2.87Å; P99-V102 VanDerWaalsContact O-N 3.09Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 2.85Å; V102-Y105 PolarHBondContact O-N 2.84Å; V102-Q106 HydrophobicContact CG1-CG 4.41Å; V102-Q106 WeakPolarHBondContact O-CB 3.25Å; V102-Q106 VanDerWaalsContact O-CG 3.32Å; V102-Q106 WeakPolarHBondContact O-CG 3.15Å; V102-Q106 PolarHBondContact O-N 3.38Å
103E97Very high95.3Very high135 Ų13560.8 Ų60.863%0.63131%0.314SS*.Hα-helixtrans-59.5-44.8176.7-70.2175.3-169.800111.6P99 Y105 Q106 R107P99-E103 PolarHBondContact O-N 3.32Å; E103-Y105 PolarHBondContact O-N 3.04Å; E103-Q106 PolarHBondContact O-N 2.87Å; E103-R107 WeakPolarHBondContact O-CB 3.14Å; E103-R107 PolarHBondContact O-N 3.37Å
104L96.3Very high95Very high46 Ų4661 Ų6124%0.24132%0.315CS..Hα-helixtrans-58.4-48.2174.3176.561.9000111.4V67 Y100 Q101 V102 R107 L108V67-L104 HydrophobicContact CG1-CD2 4.19Å; V67-L104 HydrophobicContact CG1-CG 4.36Å; Y100-L104 WeakPolarHBondContact O-CB 3.46Å; Y100-L104 PolarHBondContact O-N 2.68Å; Q101-L104 PolarHBondContact O-N 3.36Å; V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 2.85Å; L104-R107 PolarHBondContact O-N 3.39Å; L104-L108 HydrophobicContact CD1-CD1 3.87Å; L104-L108 HydrophobicContact CD1-CG 4.03Å; L104-L108 HydrophobicContact CG-CD1 3.9Å; L104-L108 HydrophobicContact CG-CG 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.17Å
105Y96.8Very high94.4Very high7 Ų763.7 Ų63.73%0.02732%0.318CS..Hα-helixtrans-60.7-46.6179.4-179.6-114.9000111.7V67 A73 I75 I93 Q101 V102 E103 R107 L108 K109V67-Y105 HydrophobicContact CG2-CD2 4.03Å; V67-Y105 HydrophobicContact CG2-CG 4.14Å; A73-Y105 WeakPolarHBondContact O-CE2 3.46Å; A73-Y105 PolarHBondContact O-OH 2.79Å; A73-Y105 VanDerWaalsContact O-OH 3.05Å; I75-Y105 HydrophobicContact CD1-CD2 4.24Å; I75-Y105 HydrophobicContact CD1-CE2 3.93Å; I75-Y105 HydrophobicContact CG1-CE2 3.9Å; I93-Y105 HydrophobicContact CD1-CD1 4.07Å; I93-Y105 HydrophobicContact CD1-CE1 3.46Å; I93-Y105 VanDerWaalsContact CD1-CE1 3.46Å; I93-Y105 HydrophobicContact CG2-CD1 4.23Å; Q101-Y105 VanDerWaalsContact O-CB 3.31Å; Q101-Y105 WeakPolarHBondContact O-CB 3.44Å; Q101-Y105 PolarHBondContact O-N 2.86Å; V102-Y105 PolarHBondContact O-N 2.84Å; E103-Y105 PolarHBondContact O-N 3.04Å; Y105-R107 PolarHBondContact O-N 2.74Å; Y105-L108 PolarHBondContact O-N 2.88Å; Y105-K109 HydrophobicContact CE1-CD 4.03Å; Y105-K109 WeakPolarHBondContact O-CB 3.17Å; Y105-K109 PolarHBondContact O-N 3.43Å
106Q96.1Very high93.8Very high101 Ų10162.8 Ų62.847%0.47231%0.306SS..Hα-helixtrans-61.5-44.4178.3-72.9176.3-3.600111.8V102 E103 K109 F110V102-Q106 HydrophobicContact CG1-CG 4.41Å; V102-Q106 WeakPolarHBondContact O-CB 3.25Å; V102-Q106 VanDerWaalsContact O-CG 3.32Å; V102-Q106 WeakPolarHBondContact O-CG 3.15Å; V102-Q106 PolarHBondContact O-N 3.38Å; E103-Q106 PolarHBondContact O-N 2.87Å; Q106-K109 PolarHBondContact O-N 3.49Å; Q106-F110 WeakPolarHBondContact O-CB 3.23Å; Q106-F110 PolarHBondContact O-N 2.92Å
107R94.6Very high93.3Very high144 Ų14464.7 Ų64.754%0.54332%0.317SS..Hα-helixtrans-59.7-50.8174.9-177.5-179.566.2-169.90.2111.3E103 L104 Y105 K109 F110 E111E103-R107 WeakPolarHBondContact O-CB 3.14Å; E103-R107 PolarHBondContact O-N 3.37Å; L104-R107 PolarHBondContact O-N 3.39Å; Y105-R107 PolarHBondContact O-N 2.74Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.76Å; R107-F110 WeakPolarHBondContact O-CB 3.4Å; R107-F110 PolarHBondContact O-N 3.05Å; R107-E111 WeakPolarHBondContact CG-OE1 3.23Å; R107-E111 IonicContact NE-OE1 3.37Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 3.33Å
108L93.9Very high92.5Very high34 Ų3468.8 Ų68.818%0.17834%0.344CS..Hα-helixtrans-63.3-39.4179.4-68.2172.7000112.1L104 Y105 F110 E111 R112L104-L108 HydrophobicContact CD1-CD1 3.87Å; L104-L108 HydrophobicContact CD1-CG 4.03Å; L104-L108 HydrophobicContact CG-CD1 3.9Å; L104-L108 HydrophobicContact CG-CG 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.17Å; Y105-L108 PolarHBondContact O-N 2.88Å; L108-F110 VanDerWaalsContact C-N 3.35Å; L108-E111 PolarHBondContact O-N 3.42Å; L108-R112 VanDerWaalsContact O-CB 3.22Å; L108-R112 WeakPolarHBondContact O-CB 3.44Å; L108-R112 PolarHBondContact O-N 3.06Å
109K94.1Very high92Very high85 Ų8569.3 Ų69.337%0.3735%0.345SS..Hα-helixtrans-61.4-43.2175.6-178.4-179.1179.4-179.10110.6D90 Y105 Q106 R107 G113D90-K109 IonicContact OD1-NZ 2.85Å; D90-K109 PolarHBondContact OD1-NZ 2.79Å; D90-K109 IonicContact OD2-NZ 3.98Å; D90-K109 PolarHBondContact OD2-NZ 3.39Å; Y105-K109 HydrophobicContact CE1-CD 4.03Å; Y105-K109 WeakPolarHBondContact O-CB 3.17Å; Y105-K109 PolarHBondContact O-N 3.43Å; Q106-K109 PolarHBondContact O-N 3.49Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-K109 PolarHBondContact O-N 2.76Å; K109-G113 PolarHBondContact O-N 3.32Å
110F93.8Very high91.7Very high118 Ų11869.1 Ų69.152%0.51834%0.335SS..Hα-helixtrans-64.3-50.8174.5179.2-100.6000111.9Q106 R107 L108 R112 G113 V114 W122 V131Q106-F110 WeakPolarHBondContact O-CB 3.23Å; Q106-F110 PolarHBondContact O-N 2.92Å; R107-F110 WeakPolarHBondContact O-CB 3.4Å; R107-F110 PolarHBondContact O-N 3.05Å; L108-F110 VanDerWaalsContact C-N 3.35Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.19Å; F110-G113 CarbonylContact O-C 3.48Å; F110-G113 WeakPolarHBondContact O-CA 3.37Å; F110-G113 PolarHBondContact O-N 3.08Å; F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CE1-CG2 3.87Å; F110-V114 HydrophobicContact CE2-CG2 4.33Å; F110-V114 HydrophobicContact CZ-CG2 3.92Å; F110-V114 WeakPolarHBondContact O-CG2 3.39Å; F110-V114 PolarHBondContact O-N 3Å; F110-W122 AromaticContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CZ2 4.19Å; F110-W122 AromaticContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CZ2 4Å; F110-W122 HydrophobicContact CE1-CZ3 4.38Å; F110-V131 HydrophobicContact CE1-CG2 3.8Å; F110-V131 HydrophobicContact CZ-CG2 3.71Å
111E91Very high91.3Very high75 Ų7562.2 Ų62.235%0.3531%0.309SS..Hα-helixtrans-57.1-43.6178.5-73.6172.7-169.100112.4R107 L108 V114 K115 W122R107-E111 WeakPolarHBondContact CG-OE1 3.23Å; R107-E111 IonicContact NE-OE1 3.37Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 3.33Å; L108-E111 PolarHBondContact O-N 3.42Å; E111-V114 PolarHBondContact O-N 3.42Å; E111-K115 WeakPolarHBondContact O-CB 3.35Å; E111-K115 PolarHBondContact O-N 2.98Å; E111-W122 HydrophobicContact CB-CZ2 4.37Å; E111-W122 HydrophobicContact CG-CH2 4.4Å; E111-W122 HydrophobicContact CG-CZ2 3.88Å
112R89.6Confident91.1Very high32 Ų3265.2 Ų65.212%0.12132%0.32CS..Hα-helixtrans-61.4-46172.6-172.7-170.4-164108.6-12.2111.2G70 G71 G72 A73 L108 F110 V114 K115 L116 S213G70-R112 PolarHBondContact O-NH1 3.05Å; G71-R112 PolarHBondContact O-NH1 3.35Å; G72-R112 VanDerWaalsContact O-CD 3.23Å; G72-R112 WeakPolarHBondContact O-CD 3.14Å; A73-R112 VanDerWaalsContact CA-CZ 3.45Å; A73-R112 VanDerWaalsContact N-NH1 3.18Å; L108-R112 VanDerWaalsContact O-CB 3.22Å; L108-R112 WeakPolarHBondContact O-CB 3.44Å; L108-R112 PolarHBondContact O-N 3.06Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.19Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.02Å; R112-K115 PolarHBondContact O-N 3.26Å; R112-K115 VanDerWaalsContact O-N 3.1Å; R112-L116 HydrophobicContact CG-CD1 3.8Å; R112-L116 HydrophobicContact CG-CG 4.13Å; R112-L116 WeakPolarHBondContact O-CB 3.05Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.26Å; R112-L116 PolarHBondContact O-N 3.35Å; R112-S213 PolarHBondContact NH1-OG 3.03Å; R112-S213 VanDerWaalsContact NH2-CA 3.31Å; R112-S213 PolarHBondContact NH2-O 3.27Å; R112-S213 PolarHBondContact NH2-OG 3.45Å; R112-S213 VanDerWaalsContact NH2-OG 3.16Å
113G89.9Confident90.9Very high36 Ų3664.7 Ų64.737%0.37132%0.317SS..Hα-helixtrans-55.6-45.1176.900000112.4K109 F110 L116 D117K109-G113 PolarHBondContact O-N 3.32Å; F110-G113 CarbonylContact O-C 3.48Å; F110-G113 WeakPolarHBondContact O-CA 3.37Å; F110-G113 PolarHBondContact O-N 3.08Å; G113-L116 PolarHBondContact O-N 3.48Å; G113-D117 VanDerWaalsContact O-CB 3.24Å; G113-D117 WeakPolarHBondContact O-CB 3.45Å; G113-D117 PolarHBondContact O-N 3.2Å; G113-D117 VanDerWaalsContact O-N 3.11Å
114V89.9Confident90.6Very high5 Ų560.9 Ų60.93%0.0330%0.304CS..Hα-helixtrans-64-41.7174.9178.40000111.3F110 E111 R112 L116 K120 W122 V131F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CE1-CG2 3.87Å; F110-V114 HydrophobicContact CE2-CG2 4.33Å; F110-V114 HydrophobicContact CZ-CG2 3.92Å; F110-V114 WeakPolarHBondContact O-CG2 3.39Å; F110-V114 PolarHBondContact O-N 3Å; E111-V114 PolarHBondContact O-N 3.42Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.02Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 PolarHBondContact O-N 2.84Å; V114-K120 HydrophobicContact CG1-CB 4.06Å; V114-W122 HydrophobicContact CB-CZ2 4.13Å; V114-W122 HydrophobicContact CG1-CD2 4.21Å; V114-W122 HydrophobicContact CG1-CG 4.2Å; V114-W122 HydrophobicContact CG1-CZ2 4.3Å; V114-W122 VanDerWaalsContact CG1-NE1 3.33Å; V114-W122 HydrophobicContact CG2-CZ2 3.98Å; V114-V131 HydrophobicContact CG1-CG1 3.91Å; V114-V131 HydrophobicContact CG1-CG2 4.21Å; V114-V131 HydrophobicContact CG2-CG1 3.98Å; V114-V131 HydrophobicContact CG2-CG2 3.69Å
115K84.1Confident90.4Very high103 Ų10361.3 Ų61.345%0.44831%0.309SS..Hα-helixtrans-66.9-34.2-179.3-163.6-176.2-157.7-166.40113.3E111 R112 C196E111-K115 WeakPolarHBondContact O-CB 3.35Å; E111-K115 PolarHBondContact O-N 2.98Å; R112-K115 PolarHBondContact O-N 3.26Å; R112-K115 VanDerWaalsContact O-N 3.1Å; K115-C196 WeakPolarHBondContact CD-O 3.28Å; K115-C196 WeakPolarHBondContact CE-O 3.42Å; K115-C196 PolarHBondContact NZ-O 3.34Å
116L83.9Confident90Very high64 Ų6468.1 Ų68.134%0.33534%0.344SS..Hα-helixtrans-87.6-18.5-177.3-64.3-176000113.3R112 G113 V114 P118 C196 C214R112-L116 HydrophobicContact CG-CD1 3.8Å; R112-L116 HydrophobicContact CG-CG 4.13Å; R112-L116 WeakPolarHBondContact O-CB 3.05Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.26Å; R112-L116 PolarHBondContact O-N 3.35Å; G113-L116 PolarHBondContact O-N 3.48Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 PolarHBondContact O-N 2.84Å; L116-P118 VanDerWaalsContact O-CD 3.3Å; L116-P118 WeakPolarHBondContact O-CD 3.45Å; L116-C196 HydrophobicContact CD2-CB 3.51Å; L116-C214 HydrophobicContact CD1-CB 4.46Å; L116-C214 HydrophobicContact CD2-CB 3.36Å
117D85.3Confident89.7Confident45 Ų4571.7 Ų71.724%0.24136%0.361CS..  trans-87.6109.9179.9-172.4-18.6000110.4G113 S119 K120G113-D117 VanDerWaalsContact O-CB 3.24Å; G113-D117 WeakPolarHBondContact O-CB 3.45Å; G113-D117 PolarHBondContact O-N 3.2Å; G113-D117 VanDerWaalsContact O-N 3.11Å; D117-S119 VanDerWaalsContact CG-OG 3.31Å; D117-S119 PolarHBondContact O-N 2.84Å; D117-S119 VanDerWaalsContact O-N 3.08Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 3.05Å; D117-S119 PolarHBondContact OD1-OG 2.98Å; D117-S119 PolarHBondContact OD2-OG 3.4Å; D117-K120 HydrophobicContact CB-CB 4.2Å; D117-K120 HydrophobicContact CB-CD 4.06Å; D117-K120 HydrophobicContact CB-CG 4.14Å; D117-K120 PolarHBondContact O-N 2.9Å; D117-K120 WeakPolarHBondContact OD2-CD 3.31Å; D117-K120 VanDerWaalsContact OD2-CE 3.23Å; D117-K120 WeakPolarHBondContact OD2-CE 3.31Å; D117-K120 IonicContact OD2-NZ 2.68Å; D117-K120 PolarHBondContact OD2-NZ 3.34Å
118P81.9Confident89.7Confident100 Ų10066.3 Ų66.365%0.64935%0.345SS*.THydrogen-bonded Turntrans-63.9-16.7-179.4-19.733.6000113.5L116 K120L116-P118 VanDerWaalsContact O-CD 3.3Å; L116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-K120 VanDerWaalsContact C-N 3.3Å
119S86.8Confident89.5Confident48 Ų4871.5 Ų71.534%0.33637%0.369SS..THydrogen-bonded Turntrans-88.35.9177.475.70000113.3D117 S133 V134D117-S119 VanDerWaalsContact CG-OG 3.31Å; D117-S119 PolarHBondContact O-N 2.84Å; D117-S119 VanDerWaalsContact O-N 3.08Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 3.05Å; D117-S119 PolarHBondContact OD1-OG 2.98Å; D117-S119 PolarHBondContact OD2-OG 3.4Å; S119-S133 CarbonylContact O-C 3.43Å; S119-S133 WeakPolarHBondContact O-CA 3.42Å; S119-V134 WeakPolarHBondContact CA-O 3.22Å; S119-V134 PolarHBondContact O-N 2.9Å
120K89.4Confident89.4Confident94 Ų9468.2 Ų68.241%0.40936%0.358SS..EExtended strand (participates in β ladder)trans-129.3144.8-179.3-64.2-177.8179.2128.30111.9V114 D117 P118 V131 C132V114-K120 HydrophobicContact CG1-CB 4.06Å; D117-K120 HydrophobicContact CB-CB 4.2Å; D117-K120 HydrophobicContact CB-CD 4.06Å; D117-K120 HydrophobicContact CB-CG 4.14Å; D117-K120 PolarHBondContact O-N 2.9Å; D117-K120 WeakPolarHBondContact OD2-CD 3.31Å; D117-K120 VanDerWaalsContact OD2-CE 3.23Å; D117-K120 WeakPolarHBondContact OD2-CE 3.31Å; D117-K120 IonicContact OD2-NZ 2.68Å; D117-K120 PolarHBondContact OD2-NZ 3.34Å; P118-K120 VanDerWaalsContact C-N 3.3Å; K120-V131 HydrophobicContact CB-CG1 3.99Å; K120-V131 HydrophobicContact CD-CG1 4.13Å; K120-V131 HydrophobicContact CG-CG1 4.22Å; K120-C132 WeakPolarHBondContact CA-O 3.46Å
121A89.1Confident89.5Confident7 Ų764.7 Ų64.76%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-144.3146172.900000111.2C132 V134 F154A121-C132 PolarHBondContact N-O 3.49Å; A121-C132 PolarHBondContact O-N 2.92Å; A121-V134 HydrophobicContact CB-CG2 3.52Å; A121-F154 HydrophobicContact CB-CE2 4.17Å; A121-F154 HydrophobicContact CB-CZ 4.35Å
122W91.6Very high89.6Confident69 Ų6961.2 Ų61.226%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-73.8140169.6-68.4101.3000110.7F110 E111 V114 Q129 V131F110-W122 AromaticContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CH2 3.95Å; F110-W122 HydrophobicContact CD1-CZ2 4.19Å; F110-W122 AromaticContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CH2 3.54Å; F110-W122 HydrophobicContact CE1-CZ2 4Å; F110-W122 HydrophobicContact CE1-CZ3 4.38Å; E111-W122 HydrophobicContact CB-CZ2 4.37Å; E111-W122 HydrophobicContact CG-CH2 4.4Å; E111-W122 HydrophobicContact CG-CZ2 3.88Å; V114-W122 HydrophobicContact CB-CZ2 4.13Å; V114-W122 HydrophobicContact CG1-CD2 4.21Å; V114-W122 HydrophobicContact CG1-CG 4.2Å; V114-W122 HydrophobicContact CG1-CZ2 4.3Å; V114-W122 VanDerWaalsContact CG1-NE1 3.33Å; V114-W122 HydrophobicContact CG2-CZ2 3.98Å; W122-Q129 WeakPolarHBondContact CZ3-O 3.39Å; W122-V131 HydrophobicContact CD2-CG2 4.2Å; W122-V131 HydrophobicContact CE3-CG2 3.8Å; W122-V131 HydrophobicContact CH2-CG2 3.89Å; W122-V131 HydrophobicContact CZ2-CG2 4.22Å; W122-V131 HydrophobicContact CZ3-CG2 3.66Å
123C93Very high89.7Confident10 Ų1064.2 Ų64.27%0.06836%0.356CS..  trans-57.8131.9168.3-175.70000109.8V125 C128 A130 C147 C150C123-V125 PolarHBondContact O-N 2.99Å; C123-C128 HydrophobicContact CB-CB 4.16Å; C123-A130 HydrophobicContact CB-CB 4.42Å; C123-A130 WeakPolarHBondContact CB-O 3.48Å; C123-A130 PolarHBondContact N-O 3.43Å; C123-C147 VanDerWaalsContact SG-SG 3.66Å; C123-C150 PolarHBondContact SG-SG 2.89Å
124P91.5Very high89.6Confident56 Ų5663.2 Ų63.236%0.36434%0.342SS..SBendtrans-72.2-11.9179.329.1-35.6000113.5L126 F154 R159P124-L126 PolarHBondContact O-N 3.23Å; P124-F154 HydrophobicContact CG-CB 3.8Å; P124-F154 HydrophobicContact CG-CD1 4.03Å; P124-F154 HydrophobicContact CG-CD2 4.24Å; P124-F154 HydrophobicContact CG-CG 3.77Å; P124-R159 WeakPolarHBondContact CB-O 3.44Å
125V92.5Very high89Confident55 Ų5571 Ų7133%0.33338%0.378SS..SBendtrans-76.6114.6175-1790000109C123 E127 C128 T152C123-V125 PolarHBondContact O-N 2.99Å; V125-E127 VanDerWaalsContact C-N 3.31Å; V125-E127 PolarHBondContact O-N 3.25Å; V125-C128 HydrophobicContact CB-CB 3.9Å; V125-C128 HydrophobicContact CG1-CB 4.13Å; V125-C128 WeakPolarHBondContact O-CB 3.44Å; V125-C128 PolarHBondContact O-N 2.87Å; V125-T152 HydrophobicContact CG2-CG2 4.05Å
126L87.2Confident87.9Confident149 Ų14970.4 Ų70.478%0.7839%0.392SS*.THydrogen-bonded Turntrans-54.2-42.2-172.8-66.2174.5000113.6P124 C128 Q129P124-L126 PolarHBondContact O-N 3.23Å; L126-C128 VanDerWaalsContact C-N 3.28Å; L126-C128 PolarHBondContact O-N 2.96Å; L126-Q129 WeakPolarHBondContact O-CG 3.14Å
127E91.6Very high86.8Confident177 Ų17769.7 Ų69.783%0.82739%0.393SS*.THydrogen-bonded Turntrans-76.3-12.7-179.2-59-54.5131.100113.8V125V125-E127 VanDerWaalsContact C-N 3.31Å; V125-E127 PolarHBondContact O-N 3.25Å
128C93.9Very high85.3Confident30 Ų3074.4 Ų74.420%0.20342%0.423CS..THydrogen-bonded Turntrans-84.2-47.4-174.3-177.60000112.2C123 V125 L126 A130 C150C123-C128 HydrophobicContact CB-CB 4.16Å; V125-C128 HydrophobicContact CB-CB 3.9Å; V125-C128 HydrophobicContact CG1-CB 4.13Å; V125-C128 WeakPolarHBondContact O-CB 3.44Å; V125-C128 PolarHBondContact O-N 2.87Å; L126-C128 VanDerWaalsContact C-N 3.28Å; L126-C128 PolarHBondContact O-N 2.96Å; C128-A130 PolarHBondContact O-N 3.4Å; C128-A130 VanDerWaalsContact SG-CB 3.55Å; C128-C150 HydrophobicContact CB-CB 4.3Å; C128-C150 VanDerWaalsContact SG-SG 3.62Å
129Q89.2Confident84.2Confident143 Ų14375.6 Ų75.667%0.66842%0.42SS*.  trans5020-177.3-53.6-175.318.900114.8W122 L126W122-Q129 WeakPolarHBondContact CZ3-O 3.39Å; L126-Q129 WeakPolarHBondContact O-CG 3.14Å
130A93.1Very high83Confident17 Ų1776.8 Ų76.814%0.1444%0.44CS..PPolyproline II helixtrans-77.3142.5178.400000111.2C123 C128 A149C123-A130 HydrophobicContact CB-CB 4.42Å; C123-A130 WeakPolarHBondContact CB-O 3.48Å; C123-A130 PolarHBondContact N-O 3.43Å; C128-A130 PolarHBondContact O-N 3.4Å; C128-A130 VanDerWaalsContact SG-CB 3.55Å; A130-A149 HydrophobicContact CB-CB 3.77Å
131V94.6Very high82.2Confident43 Ų4380 Ų8026%0.26145%0.45SS..EExtended strand (participates in β ladder)trans-89.3123169.5-178.60000108.9F110 V114 K120 W122F110-V131 HydrophobicContact CE1-CG2 3.8Å; F110-V131 HydrophobicContact CZ-CG2 3.71Å; V114-V131 HydrophobicContact CG1-CG1 3.91Å; V114-V131 HydrophobicContact CG1-CG2 4.21Å; V114-V131 HydrophobicContact CG2-CG1 3.98Å; V114-V131 HydrophobicContact CG2-CG2 3.69Å; K120-V131 HydrophobicContact CB-CG1 3.99Å; K120-V131 HydrophobicContact CD-CG1 4.13Å; K120-V131 HydrophobicContact CG-CG1 4.22Å; W122-V131 HydrophobicContact CD2-CG2 4.2Å; W122-V131 HydrophobicContact CE3-CG2 3.8Å; W122-V131 HydrophobicContact CH2-CG2 3.89Å; W122-V131 HydrophobicContact CZ2-CG2 4.22Å; W122-V131 HydrophobicContact CZ3-CG2 3.66Å
132C93.3Very high81.8Confident2 Ų282 Ų821%0.01446%0.462CS..EExtended strand (participates in β ladder)trans-103.7143.7-178.2-51.70000109.8K120 A121 V145 F154K120-C132 WeakPolarHBondContact CA-O 3.46Å; A121-C132 PolarHBondContact N-O 3.49Å; A121-C132 PolarHBondContact O-N 2.92Å; C132-V145 HydrophobicContact CB-CG1 3.61Å; C132-F154 HydrophobicContact CB-CE1 4.31Å; C132-F154 HydrophobicContact CB-CZ 4.01Å
133S91.6Very high81.6Confident96 Ų9680.1 Ų80.167%0.67146%0.462SS*.EExtended strand (participates in β ladder)trans-78.5128.5171.6-170.80000109.8S119S119-S133 CarbonylContact O-C 3.43Å; S119-S133 WeakPolarHBondContact O-CA 3.42Å
134V87.3Confident81.5Confident15 Ų1582.2 Ų82.29%0.09148%0.479CS..PPolyproline II helixtrans-103.9123.4173.5-176.50000107.9S119 A121 V145S119-V134 WeakPolarHBondContact CA-O 3.22Å; S119-V134 PolarHBondContact O-N 2.9Å; A121-V134 HydrophobicContact CB-CG2 3.52Å; V134-V145 HydrophobicContact CG1-CG2 4.42Å; V134-V145 HydrophobicContact CG2-CG2 4.13Å
135Q77.5Confident81.5Confident169 Ų16979.8 Ų79.879%0.7946%0.464SS*.PPolyproline II helixtrans-77.5125.7169.3-67.1-173-8.300108.7S137Q135-S137 PolarHBondContact O-N 3.16Å; Q135-S137 VanDerWaalsContact O-N 3.07Å
136A62.5Low81.6Confident89 Ų8980.5 Ų80.574%0.73648%0.475SS*.  trans-64.5110.7172.800000108.5T138A136-T138 PolarHBondContact O-N 2.89Å
137S59.2Low82Confident50 Ų5073.5 Ų73.535%0.3544%0.438SS..  trans-63.5127.4170.2179.70000108.4Q135 E139 G140 R141Q135-S137 PolarHBondContact O-N 3.16Å; Q135-S137 VanDerWaalsContact O-N 3.07Å; S137-E139 PolarHBondContact O-N 2.66Å; S137-G140 PolarHBondContact O-N 2.89Å; S137-G140 VanDerWaalsContact O-N 3.13Å; S137-R141 WeakPolarHBondContact CB-O 3.33Å; S137-R141 PolarHBondContact OG-N 2.98Å; S137-R141 PolarHBondContact OG-O 3.35Å
138T55.1Low82.1Confident144 Ų14469.6 Ų69.688%0.88343%0.428SS*.THydrogen-bonded Turntrans-59.2-14.3-179.744.40000113.4A136A136-T138 PolarHBondContact O-N 2.89Å
139E57.6Low82.2Confident124 Ų12471.2 Ų71.258%0.57944%0.444SS*.THydrogen-bonded Turntrans-120.811.6-177.1-60.2-173.7177.100113.4S137 R141S137-E139 PolarHBondContact O-N 2.66Å; E139-R141 HydrophobicContact CB-CG 4.12Å; E139-R141 PolarHBondContact O-N 3.38Å; E139-R141 IonicContact OE2-CZ 2.75Å; E139-R141 IonicContact OE2-NE 2.79Å; E139-R141 PolarHBondContact OE2-NE 3.39Å; E139-R141 IonicContact OE2-NH2 3.9Å; E139-R141 PolarHBondContact OE2-NH2 3.34Å
140G61.7Low82.5Confident74 Ų7466.6 Ų66.676%0.76343%0.427SS*.  trans67.114.3-177.900000114.3S137S137-G140 PolarHBondContact O-N 2.89Å; S137-G140 VanDerWaalsContact O-N 3.13Å
141R73.1Confident82.6Confident161 Ų16172.9 Ų72.961%0.60845%0.453SS*.  trans-75.5142.3177.3-60.6-174.1-164-159.94.7110.8S137 E139S137-R141 WeakPolarHBondContact CB-O 3.33Å; S137-R141 PolarHBondContact OG-N 2.98Å; S137-R141 PolarHBondContact OG-O 3.35Å; E139-R141 HydrophobicContact CB-CG 4.12Å; E139-R141 PolarHBondContact O-N 3.38Å; E139-R141 IonicContact OE2-CZ 2.75Å; E139-R141 IonicContact OE2-NE 2.79Å; E139-R141 PolarHBondContact OE2-NE 3.39Å; E139-R141 IonicContact OE2-NH2 3.9Å; E139-R141 PolarHBondContact OE2-NH2 3.34Å
142P80.9Confident82.5Confident49 Ų4973.4 Ų73.432%0.31846%0.456SS..  trans-59.7143.5172.624.5-31.8000110.7C155 W162P142-C155 VanDerWaalsContact CB-SG 3.54Å; P142-W162 HydrophobicContact CB-CZ3 4.27Å; P142-W162 WeakPolarHBondContact O-CH2 3.45Å
143A86.8Confident82.6Confident30 Ų3076.3 Ų76.325%0.24847%0.474CS..  trans-131.3153-177.200000110.9S156A143-S156 PolarHBondContact N-OG 2.93Å; A143-S156 WeakPolarHBondContact O-CB 3.47Å; A143-S156 PolarHBondContact O-N 3.47Å; A143-S156 PolarHBondContact O-OG 3.4Å
144A90.4Very high82.6Confident53 Ų5371.8 Ų71.844%0.43844%0.442SS..EExtended strand (participates in β ladder)trans-71.3132.617300000110.5V153 W162A144-V153 HydrophobicContact CB-CG1 3.94Å; A144-W162 HydrophobicContact CB-CB 4.49Å; A144-W162 HydrophobicContact CB-CD2 3.61Å; A144-W162 HydrophobicContact CB-CE3 4.21Å; A144-W162 HydrophobicContact CB-CG 3.71Å; A144-W162 HydrophobicContact CB-CZ2 4.22Å
145V92.4Very high82.8Confident6 Ų671 Ų714%0.03644%0.438CS..EExtended strand (participates in β ladder)trans-121.8118.9176.1-176.60000108.1C132 V134 V153 F154C132-V145 HydrophobicContact CB-CG1 3.61Å; V134-V145 HydrophobicContact CG1-CG2 4.42Å; V134-V145 HydrophobicContact CG2-CG2 4.13Å; V145-V153 CarbonylContact O-C 3.56Å; V145-V153 VanDerWaalsContact O-CA 3.31Å; V145-V153 WeakPolarHBondContact O-CA 3.34Å; V145-F154 HydrophobicContact CB-CD1 4.34Å; V145-F154 HydrophobicContact CB-CD2 4.35Å; V145-F154 HydrophobicContact CB-CE1 4Å; V145-F154 HydrophobicContact CB-CE2 4.02Å; V145-F154 HydrophobicContact CB-CZ 3.84Å; V145-F154 HydrophobicContact CG1-CE1 3.78Å; V145-F154 HydrophobicContact CG1-CE2 4.15Å; V145-F154 HydrophobicContact CG1-CZ 3.54Å; V145-F154 PolarHBondContact N-O 3Å; V145-F154 VanDerWaalsContact O-CD1 3.3Å; V145-F154 WeakPolarHBondContact O-CD1 3.34Å; V145-F154 PolarHBondContact O-N 3.44Å
146A94.4Very high83.2Confident69 Ų6964.5 Ų64.557%0.5741%0.411SS*.EExtended strand (participates in β ladder)trans-92.5125.4175.300000110.1V153A146-V153 HydrophobicContact CB-CG2 4.28Å
147C94.9Very high84.2Confident2 Ų264.2 Ų64.21%0.01440%0.403CS..  trans-72.3127.3175.5-1780000110.9C123 A149 H151 T152C123-C147 VanDerWaalsContact SG-SG 3.66Å; C147-A149 PolarHBondContact O-N 3.19Å; C147-H151 WeakPolarHBondContact O-CA 3.47Å; C147-H151 PolarHBondContact O-N 3.49Å; C147-T152 WeakPolarHBondContact CB-O 3.34Å; C147-T152 PolarHBondContact N-O 2.73Å
148P94.8Very high85.4Confident95 Ų9563.7 Ų63.762%0.61740%0.399SS*.THydrogen-bonded Turntrans-71.7-16.3-179.429.1-35.7000113.9
149A95.8Very high87Confident64 Ų6462.4 Ų62.453%0.52938%0.378SS..THydrogen-bonded Turntrans-96.5-53.5-176.900000112.6A130 C147A130-A149 HydrophobicContact CB-CB 3.77Å; C147-A149 PolarHBondContact O-N 3.19Å
150C95.6Very high88.4Confident46 Ų4657.5 Ų57.531%0.31136%0.361SS..THydrogen-bonded Turntrans-1040.3-177.6700000114.3C123 C128 T152C123-C150 PolarHBondContact SG-SG 2.89Å; C128-C150 HydrophobicContact CB-CB 4.3Å; C128-C150 VanDerWaalsContact SG-SG 3.62Å; C150-T152 PolarHBondContact O-N 2.85Å; C150-T152 PolarHBondContact SG-OG1 3.3Å
151H94.3Very high89.8Confident150 Ų15058.7 Ų58.769%0.69436%0.355SS*.  trans59.97.8-179.8-53.488.3000115.6C147 V153C147-H151 WeakPolarHBondContact O-CA 3.47Å; C147-H151 PolarHBondContact O-N 3.49Å; H151-V153 PolarHBondContact O-N 3.3Å
152T94.3Very high90.7Very high53 Ų5354.9 Ų54.933%0.32534%0.341SS..  trans-64.4133.3173.1-59.60000110.2V125 C147 C150V125-T152 HydrophobicContact CG2-CG2 4.05Å; C147-T152 WeakPolarHBondContact CB-O 3.34Å; C147-T152 PolarHBondContact N-O 2.73Å; C150-T152 PolarHBondContact O-N 2.85Å; C150-T152 PolarHBondContact SG-OG1 3.3Å
153V93.9Very high91Very high63 Ų6358.3 Ų58.338%0.38236%0.356SS..EExtended strand (participates in β ladder)trans-103.5125.1176.9-1690000109.7A144 V145 A146 H151 W162A144-V153 HydrophobicContact CB-CG1 3.94Å; V145-V153 CarbonylContact O-C 3.56Å; V145-V153 VanDerWaalsContact O-CA 3.31Å; V145-V153 WeakPolarHBondContact O-CA 3.34Å; A146-V153 HydrophobicContact CB-CG2 4.28Å; H151-V153 PolarHBondContact O-N 3.3Å; V153-W162 HydrophobicContact CB-CB 4.45Å; V153-W162 HydrophobicContact CG1-CB 3.81Å; V153-W162 HydrophobicContact CG1-CG 4.3Å; V153-W162 PolarHBondContact O-N 2.82Å; V153-W162 VanDerWaalsContact O-N 3.16Å
154F92.8Very high90.9Very high1 Ų166.4 Ų66.40%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-137.3165.3-175.265.6-84.1000111.8A121 P124 C132 V145 G160A121-F154 HydrophobicContact CB-CE2 4.17Å; A121-F154 HydrophobicContact CB-CZ 4.35Å; P124-F154 HydrophobicContact CG-CB 3.8Å; P124-F154 HydrophobicContact CG-CD1 4.03Å; P124-F154 HydrophobicContact CG-CD2 4.24Å; P124-F154 HydrophobicContact CG-CG 3.77Å; C132-F154 HydrophobicContact CB-CE1 4.31Å; C132-F154 HydrophobicContact CB-CZ 4.01Å; V145-F154 HydrophobicContact CB-CD1 4.34Å; V145-F154 HydrophobicContact CB-CD2 4.35Å; V145-F154 HydrophobicContact CB-CE1 4Å; V145-F154 HydrophobicContact CB-CE2 4.02Å; V145-F154 HydrophobicContact CB-CZ 3.84Å; V145-F154 HydrophobicContact CG1-CE1 3.78Å; V145-F154 HydrophobicContact CG1-CE2 4.15Å; V145-F154 HydrophobicContact CG1-CZ 3.54Å; V145-F154 PolarHBondContact N-O 3Å; V145-F154 VanDerWaalsContact O-CD1 3.3Å; V145-F154 WeakPolarHBondContact O-CD1 3.34Å; V145-F154 PolarHBondContact O-N 3.44Å; F154-G160 CarbonylContact C-O 3.6Å; F154-G160 VanDerWaalsContact CA-O 3.27Å; F154-G160 WeakPolarHBondContact CA-O 3.44Å; F154-G160 WeakPolarHBondContact CB-O 3.23Å
155C90.6Very high90.5Very high0 Ų067.5 Ų67.50%041%0.405CS..EExtended strand (participates in β ladder)trans-78.9131.6179.21780000111.8P142 S157 C158 R159 G160 W162 H166 C168P142-C155 VanDerWaalsContact CB-SG 3.54Å; C155-S157 PolarHBondContact O-N 3.3Å; C155-S157 VanDerWaalsContact O-N 3.16Å; C155-S157 PolarHBondContact SG-N 2.9Å; C155-S157 VanDerWaalsContact SG-N 3.4Å; C155-C158 WeakPolarHBondContact CB-SG 2.85Å; C155-C158 VanDerWaalsContact SG-SG 3.66Å; C155-R159 VanDerWaalsContact O-CA 3.23Å; C155-R159 WeakPolarHBondContact O-CA 3.28Å; C155-R159 PolarHBondContact O-N 3.48Å; C155-G160 PolarHBondContact N-O 3.37Å; C155-W162 HydrophobicContact CB-CE3 3.89Å; C155-W162 HydrophobicContact CB-CZ3 4.24Å; C155-H166 WeakPolarHBondContact CB-NE2 3.34Å; C155-H166 PolarHBondContact SG-NE2 2.98Å; C155-C168 PolarHBondContact SG-SG 3.21Å
156S86.9Confident90.1Very high31 Ų3169.1 Ų69.122%0.21741%0.412CS..THydrogen-bonded Turntrans-60.1-22.9176.461.70000114.4A143A143-S156 PolarHBondContact N-OG 2.93Å; A143-S156 WeakPolarHBondContact O-CB 3.47Å; A143-S156 PolarHBondContact O-N 3.47Å; A143-S156 PolarHBondContact O-OG 3.4Å
157S83.2Confident89.6Confident83 Ų8371.3 Ų71.358%0.5842%0.418SS*.THydrogen-bonded Turntrans-100.6-62.5-175.7-179.70000112.5C155C155-S157 PolarHBondContact O-N 3.3Å; C155-S157 VanDerWaalsContact O-N 3.16Å; C155-S157 PolarHBondContact SG-N 2.9Å; C155-S157 VanDerWaalsContact SG-N 3.4Å
158C84.9Confident89.1Confident39 Ų3972.4 Ų72.426%0.26443%0.426SS..THydrogen-bonded Turntrans-85-9.9-176.172.90000113.8C155 G160 C168C155-C158 WeakPolarHBondContact CB-SG 2.85Å; C155-C158 VanDerWaalsContact SG-SG 3.66Å; C158-G160 PolarHBondContact O-N 3.1Å; C158-G160 VanDerWaalsContact O-N 3.08Å; C158-G160 PolarHBondContact SG-N 3.4Å; C158-G160 VanDerWaalsContact SG-N 3.41Å; C158-C168 HydrophobicContact CB-CB 4.32Å
159R87.1Confident88.3Confident118 Ų11872.4 Ų72.445%0.44543%0.426SS..  trans61.47.9-175.6-51.3179.3-179-164.3-2.3115.2P124 C155P124-R159 WeakPolarHBondContact CB-O 3.44Å; C155-R159 VanDerWaalsContact O-CA 3.23Å; C155-R159 WeakPolarHBondContact O-CA 3.28Å; C155-R159 PolarHBondContact O-N 3.48Å
160G87.6Confident86.5Confident21 Ų2178 Ų7822%0.21644%0.441CS..SBendtrans-79.3170.6173.600000113.2F154 C155 C158F154-G160 CarbonylContact C-O 3.6Å; F154-G160 VanDerWaalsContact CA-O 3.27Å; F154-G160 WeakPolarHBondContact CA-O 3.44Å; F154-G160 WeakPolarHBondContact CB-O 3.23Å; C155-G160 PolarHBondContact N-O 3.37Å; C158-G160 PolarHBondContact O-N 3.1Å; C158-G160 VanDerWaalsContact O-N 3.08Å; C158-G160 PolarHBondContact SG-N 3.4Å; C158-G160 VanDerWaalsContact SG-N 3.41Å
161P90.6Very high84.5Confident98 Ų9879.5 Ų79.564%0.63646%0.464SS*.BIsolated β-bridgetrans-57.1136.4177.1-22.833.4000112.3H166P161-H166 PolarHBondContact O-CE1 2.72Å; P161-H166 PolarHBondContact O-ND1 3.11Å
162W91.8Very high81.7Confident82 Ų8279.8 Ų79.831%0.31147%0.465SS..PPolyproline II helixtrans-84.9127.9175.3-170.4-90000110.7P142 A144 V153 C155 H166P142-W162 HydrophobicContact CB-CZ3 4.27Å; P142-W162 WeakPolarHBondContact O-CH2 3.45Å; A144-W162 HydrophobicContact CB-CB 4.49Å; A144-W162 HydrophobicContact CB-CD2 3.61Å; A144-W162 HydrophobicContact CB-CE3 4.21Å; A144-W162 HydrophobicContact CB-CG 3.71Å; A144-W162 HydrophobicContact CB-CZ2 4.22Å; V153-W162 HydrophobicContact CB-CB 4.45Å; V153-W162 HydrophobicContact CG1-CB 3.81Å; V153-W162 HydrophobicContact CG1-CG 4.3Å; V153-W162 PolarHBondContact O-N 2.82Å; V153-W162 VanDerWaalsContact O-N 3.16Å; C155-W162 HydrophobicContact CB-CE3 3.89Å; C155-W162 HydrophobicContact CB-CZ3 4.24Å; W162-H166 HydrophobicContact CD2-CB 4.21Å; W162-H166 HydrophobicContact CE3-CB 4.2Å; W162-H166 AromaticContact CE3-CD2 3.91Å; W162-H166 HydrophobicContact CH2-CB 4.47Å; W162-H166 HydrophobicContact CZ2-CB 4.46Å; W162-H166 HydrophobicContact CZ3-CB 4.34Å; W162-H166 AromaticContact CZ3-CD2 3.79Å
163L88.3Confident79.2Confident120 Ų12080.3 Ų80.363%0.62847%0.47SS*.  trans-132165.8-178.1-62.4172.8000110.3G165 H166L163-G165 PolarHBondContact O-N 3.44Å; L163-H166 VanDerWaalsContact O-CB 3.28Å; L163-H166 WeakPolarHBondContact O-CB 3.1Å; L163-H166 PolarHBondContact O-N 3.07Å; L163-H166 VanDerWaalsContact O-N 3.13Å
164E84.9Confident76.6Confident200 Ų20084.3 Ų84.394%0.93549%0.486SS*.THydrogen-bonded Turntrans-61131.7173.3-70.7-174.3177.700110.9H166E164-H166 VanDerWaalsContact C-N 3.27Å; E164-H166 PolarHBondContact O-N 3.42Å
165G81.1Confident73.9Confident76 Ų7690.7 Ų90.778%0.78452%0.518SS*.THydrogen-bonded Turntrans68.620.7-175.600000114.7L163 T167L163-G165 PolarHBondContact O-N 3.44Å; G165-T167 PolarHBondContact O-N 2.94Å; G165-T167 PolarHBondContact O-OG1 3.25Å
166H83.8Confident71.2Confident40 Ų4094.4 Ų94.419%0.18554%0.537CS..  trans-49.3122.8-177.6-176.788.8000112.4C155 P161 W162 L163 E164C155-H166 WeakPolarHBondContact CB-NE2 3.34Å; C155-H166 PolarHBondContact SG-NE2 2.98Å; P161-H166 PolarHBondContact O-CE1 2.72Å; P161-H166 PolarHBondContact O-ND1 3.11Å; W162-H166 HydrophobicContact CD2-CB 4.21Å; W162-H166 HydrophobicContact CE3-CB 4.2Å; W162-H166 AromaticContact CE3-CD2 3.91Å; W162-H166 HydrophobicContact CH2-CB 4.47Å; W162-H166 HydrophobicContact CZ2-CB 4.46Å; W162-H166 HydrophobicContact CZ3-CB 4.34Å; W162-H166 AromaticContact CZ3-CD2 3.79Å; L163-H166 VanDerWaalsContact O-CB 3.28Å; L163-H166 WeakPolarHBondContact O-CB 3.1Å; L163-H166 PolarHBondContact O-N 3.07Å; L163-H166 VanDerWaalsContact O-N 3.13Å; E164-H166 VanDerWaalsContact C-N 3.27Å; E164-H166 PolarHBondContact O-N 3.42Å
167T84.5Confident68.7Low115 Ų11598.4 Ų98.471%0.70656%0.562SS**  trans-117.6125.3170.6-57.10000107.2G165G165-T167 PolarHBondContact O-N 2.94Å; G165-T167 PolarHBondContact O-OG1 3.25Å
168C84.4Confident66.5Low26 Ų26103 Ų10318%0.17658%0.58CS.*PPolyproline II helixtrans-62.1131176.3-730000108.9C155 C158 E170C155-C168 PolarHBondContact SG-SG 3.21Å; C158-C168 HydrophobicContact CB-CB 4.32Å; C168-E170 PolarHBondContact O-N 3.39Å
169P77.6Confident64.4Low95 Ų95106 Ų10662%0.61759%0.589SS**PPolyproline II helixtrans-57.2129.4167.422.9-29.8000108.4G171P169-G171 PolarHBondContact O-N 2.97Å; P169-G171 VanDerWaalsContact O-N 3.14Å
170E58.6Low61.7Low182 Ų182104.7 Ų104.785%0.8560%0.599SS**SBendtrans-47.2121.8179-11786.7-167.500110.1C168 Q172C168-E170 PolarHBondContact O-N 3.39Å; E170-Q172 PolarHBondContact O-N 3.17Å
171G53Low59.3Low76 Ų76110.3 Ų110.378%0.78463%0.631SS**  trans-1687.6-174.200000117.7P169P169-G171 PolarHBondContact O-N 2.97Å; P169-G171 VanDerWaalsContact O-N 3.14Å
172Q36.8Very low56.8Low156 Ų156108.9 Ų108.973%0.72964%0.635SS**  trans-101.5106.4146.2-80.9-174.3-26.800107.3E170 M174E170-Q172 PolarHBondContact O-N 3.17Å; Q172-M174 PolarHBondContact O-N 2.84Å
173P41Very low54.1Low64 Ų64108 Ų10842%0.41664%0.641SS.*  trans-52.7127.7164.1-14.525.3000107.8M175P173-M175 PolarHBondContact O-N 3.27Å; P173-M175 VanDerWaalsContact O-N 3.12Å
174M39.8Very low51.9Low147 Ų147108 Ų10872%0.72465%0.651SS**SBendtrans-48.7122.7172.7-108-177.4158.700109.1Q172Q172-M174 PolarHBondContact O-N 2.84Å
175M36.3Very low50.1Low136 Ų136102.3 Ų102.367%0.6763%0.627SS**  trans84.285.2177.4-44.4-62.210100115.3P173 Y199P173-M175 PolarHBondContact O-N 3.27Å; P173-M175 VanDerWaalsContact O-N 3.12Å; M175-Y199 PolarHBondContact O-OH 3.37Å
176L32.6Very low48.8Very low77 Ų77103.3 Ų103.340%0.40362%0.619SS.*  trans-119.5133.5152.3-91.5164.8000108.4L178 Q179L176-L178 PolarHBondContact O-N 3.45Å; L176-Q179 HydrophobicContact CD1-CB 4.3Å; L176-Q179 HydrophobicContact CD2-CG 4.3Å
177P34.2Very low47.6Very low115 Ų115109.2 Ų109.275%0.74765%0.647SS**SBendtrans-61.2116.3153.1-621.7000106.7Q179P177-Q179 PolarHBondContact O-N 2.99Å
178L38Very low46.8Very low181 Ų181106.4 Ų106.495%0.94863%0.626SS**SBendtrans29.882.8160.8-13178.8000115.4L176L176-L178 PolarHBondContact O-N 3.45Å
179Q40.6Very low46.6Very low100 Ų100108 Ų10847%0.46764%0.637SS.*  trans-122.2118.9165.3-75.1178.16.300110.1L176 P177L176-Q179 HydrophobicContact CD1-CB 4.3Å; L176-Q179 HydrophobicContact CD2-CG 4.3Å; P177-Q179 PolarHBondContact O-N 2.99Å
180S31Very low47.1Very low92 Ų92107.7 Ų107.764%0.64363%0.63SS**  trans-63.7142.7174.845.90000111.7G182S180-G182 PolarHBondContact O-N 2.85Å; S180-G182 VanDerWaalsContact O-N 3.07Å
181P36.3Very low48.5Very low138 Ų138101.4 Ų101.490%0.89660%0.599SS**THydrogen-bonded Turntrans-73.3102.9176.630-29.8000108.9
182G37.9Very low50.1Low69 Ų69100.2 Ų100.271%0.71157%0.574SS**THydrogen-bonded Turntrans159.1-8.8173.200000118.4S180 S184S180-G182 PolarHBondContact O-N 2.85Å; S180-G182 VanDerWaalsContact O-N 3.07Å; G182-S184 PolarHBondContact O-N 3.3Å
183S34.8Very low52.5Low62 Ų6293 Ų9343%0.43454%0.54SS..  trans-81.186.6178.650.60000111D185S183-D185 PolarHBondContact O-N 3.49Å
184S43.1Very low54.5Low120 Ų12092.8 Ų92.884%0.83954%0.539SS*.  trans-68.855.2153.1-52.50000108.9G182 P186G182-S184 PolarHBondContact O-N 3.3Å; S184-P186 WeakPolarHBondContact O-CD 3.3Å
185D47.9Very low56.5Low81 Ų8190 Ų9043%0.43353%0.525SS..  trans-87.3111.7-177.8-157.6-21.3000108.7S183 E187S183-D185 PolarHBondContact O-N 3.49Å; D185-E187 PolarHBondContact O-N 2.94Å; D185-E187 VanDerWaalsContact O-N 3.08Å; D185-E187 PolarHBondContact OD1-N 3.42Å
186P53.6Low58.5Low97 Ų9783.7 Ų83.763%0.6349%0.494SS*.THydrogen-bonded Turntrans-65.3-4.2178.227.3-34.5000113.8S184S184-P186 WeakPolarHBondContact O-CD 3.3Å
187E56.8Low60.7Low164 Ų16481.4 Ų81.477%0.76649%0.489SS*.THydrogen-bonded Turntrans-107.85-174.8-68.6-168.9129.800115.8D185 S189D185-E187 PolarHBondContact O-N 2.94Å; D185-E187 VanDerWaalsContact O-N 3.08Å; D185-E187 PolarHBondContact OD1-N 3.42Å; E187-S189 PolarHBondContact O-N 3.29Å
188E68.4Low63Low57 Ų5777.8 Ų77.827%0.26647%0.465SS..  trans-60.2112.6169.4-76.9-180168.600109.5I190 K191 W220E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.46Å; E188-K191 IonicContact OE2-NZ 2.79Å; E188-K191 PolarHBondContact OE2-NZ 2.64Å; E188-W220 VanDerWaalsContact O-CZ2 3.25Å; E188-W220 WeakPolarHBondContact O-CZ2 3.16Å
189S80.5Confident65.3Low58 Ų5875.4 Ų75.441%0.40644%0.444SS..  trans-77.4-13.8-178.257.70000112.6E187 E201 R202 W220E187-S189 PolarHBondContact O-N 3.29Å; S189-E201 CarbonylContact O-C 3.54Å; S189-E201 WeakPolarHBondContact O-CA 3.44Å; S189-R202 PolarHBondContact O-N 2.95Å; S189-W220 WeakPolarHBondContact O-CH2 3.45Å
190I87.3Confident67.6Low90 Ų9071.7 Ų71.746%0.46243%0.427SS..EExtended strand (participates in β ladder)trans-125.2127-175.3-57.2175.1000110.2E188 Y199 I200 E201E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.46Å; I190-Y199 HydrophobicContact CG2-CD1 3.92Å; I190-Y199 HydrophobicContact CG2-CG 4.42Å; I190-I200 WeakPolarHBondContact CA-O 3.39Å; I190-E201 HydrophobicContact CG1-CB 4.19Å; I190-E201 HydrophobicContact CG1-CG 4.1Å
191K88.3Confident70.3Confident49 Ų4973.6 Ų73.621%0.21343%0.426CS..EExtended strand (participates in β ladder)trans-139.3158.1174.2-65.1-173.4-177.7-66.60111.2E188 I200 W220E188-K191 IonicContact OE2-NZ 2.79Å; E188-K191 PolarHBondContact OE2-NZ 2.64Å; K191-I200 PolarHBondContact N-O 3.21Å; K191-I200 PolarHBondContact O-N 2.83Å; K191-W220 HydrophobicContact CB-CE3 4.29Å; K191-W220 HydrophobicContact CB-CH2 3.65Å; K191-W220 HydrophobicContact CB-CZ2 4.17Å; K191-W220 HydrophobicContact CB-CZ3 3.7Å; K191-W220 HydrophobicContact CD-CD2 4.04Å; K191-W220 HydrophobicContact CD-CE3 4.28Å; K191-W220 HydrophobicContact CD-CH2 4.19Å; K191-W220 HydrophobicContact CD-CZ2 3.88Å; K191-W220 HydrophobicContact CD-CZ3 4.37Å; K191-W220 HydrophobicContact CG-CH2 3.7Å; K191-W220 HydrophobicContact CG-CZ2 3.69Å; K191-W220 HydrophobicContact CG-CZ3 4.12Å
192Q86.6Confident72.6Confident52 Ų5268.7 Ų68.724%0.24339%0.39CS..EExtended strand (participates in β ladder)trans-83143.6175.5-70.5-179.5-23.200111.6V198 Y199Q192-V198 CarbonylContact C-O 3.59Å; Q192-V198 WeakPolarHBondContact CA-O 3.26Å; Q192-Y199 HydrophobicContact CG-CD1 3.64Å; Q192-Y199 HydrophobicContact CG-CE1 3.55Å; Q192-Y199 HydrophobicContact CG-CE2 4.48Å; Q192-Y199 HydrophobicContact CG-CG 4.19Å; Q192-Y199 PolarHBondContact NE2-OH 2.74Å
193C87.1Confident74.4Confident3 Ų372 Ų722%0.0239%0.391CS..  trans-62.1128.1168.3178.50000110.1M195 C196 G197 V198 I200 C211 C214C193-M195 PolarHBondContact O-N 2.83Å; C193-C196 PolarHBondContact O-N 3.34Å; C193-C196 VanDerWaalsContact SG-SG 3.63Å; C193-G197 VanDerWaalsContact O-CA 3.26Å; C193-G197 WeakPolarHBondContact O-CA 3.32Å; C193-G197 PolarHBondContact O-N 2.96Å; C193-V198 HydrophobicContact CB-CG2 3.96Å; C193-V198 PolarHBondContact N-O 3.06Å; C193-I200 HydrophobicContact CB-CD1 3.74Å; C193-C211 HydrophobicContact CB-CB 4.33Å; C193-C214 PolarHBondContact SG-SG 2.93Å
194P84.5Confident76.3Confident60 Ų6077.2 Ų77.239%0.3941%0.409SS..THydrogen-bonded Turntrans-66.7-22.8-177.526-34.5000113.6F218 L223P194-F218 HydrophobicContact CG-CB 3.88Å; P194-F218 HydrophobicContact CG-CD1 4.29Å; P194-F218 HydrophobicContact CG-CD2 4.03Å; P194-F218 HydrophobicContact CG-CG 3.81Å; P194-L223 HydrophobicContact CB-CB 4.3Å; P194-L223 HydrophobicContact CG-CB 4.42Å; P194-L223 WeakPolarHBondContact CG-O 3.39Å
195M81.4Confident78.1Confident88 Ų8873.3 Ų73.343%0.43339%0.388SS..THydrogen-bonded Turntrans-89.2-37.2178.6-74.9-61.1-6500114C193 H216C193-M195 PolarHBondContact O-N 2.83Å; M195-H216 HydrophobicContact CB-CB 3.9Å; M195-H216 HydrophobicContact CG-CB 3.77Å; M195-H216 WeakPolarHBondContact CG-CD2 3.05Å; M195-H216 WeakPolarHBondContact CG-CE1 3.44Å; M195-H216 VanDerWaalsContact CG-ND1 3.31Å; M195-H216 WeakPolarHBondContact CG-ND1 2.99Å; M195-H216 WeakPolarHBondContact CG-NE2 3.47Å
196C77.8Confident80Confident5 Ų571.6 Ų71.63%0.03438%0.381CS..THydrogen-bonded Turntrans-128.13.8-171.873.50000114.5K115 L116 C193 V198 C214K115-C196 WeakPolarHBondContact CD-O 3.28Å; K115-C196 WeakPolarHBondContact CE-O 3.42Å; K115-C196 PolarHBondContact NZ-O 3.34Å; L116-C196 HydrophobicContact CD2-CB 3.51Å; C193-C196 PolarHBondContact O-N 3.34Å; C193-C196 VanDerWaalsContact SG-SG 3.63Å; C196-V198 PolarHBondContact O-N 3.12Å; C196-V198 VanDerWaalsContact SG-CG2 3.55Å; C196-C214 HydrophobicContact CB-CB 3.84Å; C196-C214 PolarHBondContact SG-SG 3.44Å
197G78Confident81.6Confident28 Ų2867 Ų6729%0.28935%0.351SS..  trans63.56.7173.400000116.1C193C193-G197 VanDerWaalsContact O-CA 3.26Å; C193-G197 WeakPolarHBondContact O-CA 3.32Å; C193-G197 PolarHBondContact O-N 2.96Å
198V83.1Confident83.2Confident40 Ų4061.5 Ų61.524%0.24233%0.326CS..  trans-69.8139174.5-58.20000109.5Q192 C193 C196 I200 C211Q192-V198 CarbonylContact C-O 3.59Å; Q192-V198 WeakPolarHBondContact CA-O 3.26Å; C193-V198 HydrophobicContact CB-CG2 3.96Å; C193-V198 PolarHBondContact N-O 3.06Å; C196-V198 PolarHBondContact O-N 3.12Å; C196-V198 VanDerWaalsContact SG-CG2 3.55Å; V198-I200 HydrophobicContact CG2-CD1 4.43Å; V198-I200 HydrophobicContact CG2-CG1 4.17Å; V198-C211 VanDerWaalsContact CG2-SG 3.55Å
199Y86.6Confident84.2Confident130 Ų13060 Ų6051%0.5132%0.319SS..EExtended strand (participates in β ladder)trans-68.1134.1172.9-66.4-84.3000109.9M175 I190 Q192M175-Y199 PolarHBondContact O-OH 3.37Å; I190-Y199 HydrophobicContact CG2-CD1 3.92Å; I190-Y199 HydrophobicContact CG2-CG 4.42Å; Q192-Y199 HydrophobicContact CG-CD1 3.64Å; Q192-Y199 HydrophobicContact CG-CE1 3.55Å; Q192-Y199 HydrophobicContact CG-CE2 4.48Å; Q192-Y199 HydrophobicContact CG-CG 4.19Å; Q192-Y199 PolarHBondContact NE2-OH 2.74Å
200I88.4Confident84.7Confident22 Ų2262 Ų6211%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-126.7123.9179.9-64.2171.7000106.5I190 K191 C193 V198 M209 C211 F218 W220I190-I200 WeakPolarHBondContact CA-O 3.39Å; K191-I200 PolarHBondContact N-O 3.21Å; K191-I200 PolarHBondContact O-N 2.83Å; C193-I200 HydrophobicContact CB-CD1 3.74Å; V198-I200 HydrophobicContact CG2-CD1 4.43Å; V198-I200 HydrophobicContact CG2-CG1 4.17Å; I200-M209 HydrophobicContact CG2-CE 3.74Å; I200-C211 HydrophobicContact CD1-CB 3.99Å; I200-F218 HydrophobicContact CD1-CE1 3.73Å; I200-F218 HydrophobicContact CD1-CZ 3.68Å; I200-W220 HydrophobicContact CG2-CZ3 4.31Å; I200-W220 WeakPolarHBondContact O-CH2 3.29Å
201E87.9Confident84.7Confident132 Ų13257.8 Ų57.862%0.61730%0.303SS*.EExtended strand (participates in β ladder)trans-88135.1169-171.1-178.1175.400110.1S189 I190S189-E201 CarbonylContact O-C 3.54Å; S189-E201 WeakPolarHBondContact O-CA 3.44Å; I190-E201 HydrophobicContact CG1-CB 4.19Å; I190-E201 HydrophobicContact CG1-CG 4.1Å
202R85.6Confident84.6Confident36 Ų3664.2 Ų64.214%0.13633%0.331CS..  trans-95.3109.6172-177.4177.5177.1-161-2.2109.4S189 Q204 G205 M209 W220 Y221S189-R202 PolarHBondContact O-N 2.95Å; R202-Q204 PolarHBondContact O-N 3.33Å; R202-Q204 VanDerWaalsContact O-N 3.15Å; R202-G205 PolarHBondContact NH2-O 2.74Å; R202-M209 HydrophobicContact CG-SD 4.39Å; R202-W220 HydrophobicContact CB-CD2 4.12Å; R202-W220 HydrophobicContact CB-CE3 4.25Å; R202-W220 HydrophobicContact CB-CH2 3.6Å; R202-W220 HydrophobicContact CB-CZ2 3.48Å; R202-W220 VanDerWaalsContact CB-CZ2 3.48Å; R202-W220 HydrophobicContact CB-CZ3 4Å; R202-W220 HydrophobicContact CG-CD2 4.49Å; R202-Y221 VanDerWaalsContact NH1-CZ 3.32Å; R202-Y221 PolarHBondContact NH1-OH 2.91Å; R202-Y221 PolarHBondContact NH2-OH 3.48Å
203N73.8Confident84.4Confident138 Ų13863.3 Ų63.374%0.73833%0.33SS*.  trans-83.429.1178.563.1-23.8000114.2
204Q75.3Confident84.1Confident171 Ų17164.5 Ų64.580%0.79934%0.339SS*.SBendtrans77.4170.9-173.6-47.2170.325.300115.3R202R202-Q204 PolarHBondContact O-N 3.33Å; R202-Q204 VanDerWaalsContact O-N 3.15Å
205G82Confident84.3Confident39 Ų3968.1 Ų68.140%0.40235%0.348SS..SBendtrans88-129.3178.300000114.3R202R202-G205 PolarHBondContact NH2-O 2.74Å
206C86.1Confident84.6Confident44 Ų4464.3 Ų64.330%0.29733%0.329SS..  trans-58.8134.6-171.2-168.40000112.3Q208 L244C206-Q208 PolarHBondContact SG-N 2.94Å; C206-Q208 VanDerWaalsContact SG-N 3.4Å; C206-L244 CarbonylContact C-O 3.52Å; C206-L244 VanDerWaalsContact CA-O 3.22Å; C206-L244 WeakPolarHBondContact CA-O 3.34Å
207A89.1Confident85.2Confident0 Ų065.2 Ų65.20%034%0.335CS..SBendtrans-88.1-8.7175.400000113.8M209 W220 Y221 Y235 K243 L244A207-M209 PolarHBondContact O-N 3Å; A207-W220 HydrophobicContact CB-CB 4.42Å; A207-W220 WeakPolarHBondContact O-CB 3.45Å; A207-W220 PolarHBondContact O-N 2.7Å; A207-Y221 HydrophobicContact CB-CD2 3.93Å; A207-Y221 HydrophobicContact CB-CE2 3.49Å; A207-Y221 VanDerWaalsContact CB-CE2 3.49Å; A207-Y235 HydrophobicContact CB-CE1 3.98Å; A207-Y235 PolarHBondContact O-OH 2.85Å; A207-Y235 VanDerWaalsContact O-OH 3.06Å; A207-K243 WeakPolarHBondContact CB-O 3.25Å; A207-L244 PolarHBondContact N-O 3.15Å
208Q89.6Confident85.9Confident50 Ų5063.9 Ų63.923%0.23432%0.321CS..EExtended strand (participates in β ladder)trans-86.3107.9170.4179.4169.1-36.400108.1C206 T217 L226 Y235 L244C206-Q208 PolarHBondContact SG-N 2.94Å; C206-Q208 VanDerWaalsContact SG-N 3.4Å; Q208-T217 HydrophobicContact CG-CG2 3.55Å; Q208-L226 HydrophobicContact CB-CD1 4.49Å; Q208-L226 HydrophobicContact CG-CD1 4.05Å; Q208-Y235 WeakPolarHBondContact CA-OH 3.3Å; Q208-Y235 HydrophobicContact CB-CE2 4.18Å; Q208-Y235 PolarHBondContact N-OH 3.49Å; Q208-Y235 VanDerWaalsContact N-OH 3.16Å; Q208-L244 HydrophobicContact CB-CD1 4.23Å
209M89.7Confident86.2Confident26 Ų2662 Ų6213%0.12831%0.309CS..EExtended strand (participates in β ladder)trans-91.7143.1-178-62.1-53.1-5900110.3I200 R202 A207 T217 F218 W220I200-M209 HydrophobicContact CG2-CE 3.74Å; R202-M209 HydrophobicContact CG-SD 4.39Å; A207-M209 PolarHBondContact O-N 3Å; M209-T217 CarbonylContact O-C 3.55Å; M209-T217 VanDerWaalsContact O-CA 3.24Å; M209-T217 WeakPolarHBondContact O-CA 3.19Å; M209-F218 HydrophobicContact CB-CD1 4.05Å; M209-F218 HydrophobicContact CB-CD2 4.38Å; M209-F218 HydrophobicContact CB-CE1 3.6Å; M209-F218 HydrophobicContact CB-CE2 3.96Å; M209-F218 HydrophobicContact CB-CG 4.42Å; M209-F218 HydrophobicContact CB-CZ 3.54Å; M209-F218 HydrophobicContact CG-CE2 4.18Å; M209-F218 HydrophobicContact CG-CZ 4.06Å; M209-F218 PolarHBondContact N-O 2.97Å; M209-F218 PolarHBondContact O-N 2.71Å; M209-W220 HydrophobicContact CG-CB 4.13Å; M209-W220 HydrophobicContact CG-CD2 4.47Å; M209-W220 HydrophobicContact CG-CE3 3.72Å; M209-W220 HydrophobicContact CG-CZ3 4.48Å; M209-W220 HydrophobicContact SD-CE3 4.25Å
210L90.4Very high86.4Confident100 Ų10056 Ų5652%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-112.9115.6166.7177.767.5000108.2K212 K215L210-K212 PolarHBondContact O-N 2.91Å; L210-K215 HydrophobicContact CD1-CB 4.46Å; L210-K215 WeakPolarHBondContact CD1-O 3.36Å
211C88.3Confident86.4Confident1 Ų159.1 Ų59.11%0.00730%0.297CS..  trans-65.8117.4175.6-178.30000109.8C193 V198 I200 S213 C214 K215 H216 F218C193-C211 HydrophobicContact CB-CB 4.33Å; V198-C211 VanDerWaalsContact CG2-SG 3.55Å; I200-C211 HydrophobicContact CD1-CB 3.99Å; C211-S213 PolarHBondContact O-N 2.96Å; C211-S213 PolarHBondContact SG-N 2.76Å; C211-S213 VanDerWaalsContact SG-N 3.44Å; C211-C214 VanDerWaalsContact CB-SG 3.53Å; C211-C214 PolarHBondContact SG-N 2.59Å; C211-C214 VanDerWaalsContact SG-N 3.42Å; C211-K215 WeakPolarHBondContact O-CA 3.27Å; C211-K215 PolarHBondContact O-N 3.48Å; C211-H216 PolarHBondContact N-O 3.46Å; C211-F218 HydrophobicContact CB-CE1 4.45Å
212K84.9Confident86.4Confident184 Ų18455.1 Ų55.180%0.828%0.283SS*.THydrogen-bonded Turntrans-61.5-28.5177.3-68.8-176179.9178.20112.7L210 K215L210-K212 PolarHBondContact O-N 2.91Å; K212-K215 PolarHBondContact O-NZ 3.42Å
213S82.1Confident86.5Confident32 Ų3256.9 Ų56.922%0.22430%0.295CS..THydrogen-bonded Turntrans-75.3-67.3178.8-170.10000111.9R112 C211R112-S213 PolarHBondContact NH1-OG 3.03Å; R112-S213 VanDerWaalsContact NH2-CA 3.31Å; R112-S213 PolarHBondContact NH2-O 3.27Å; R112-S213 PolarHBondContact NH2-OG 3.45Å; R112-S213 VanDerWaalsContact NH2-OG 3.16Å; C211-S213 PolarHBondContact O-N 2.96Å; C211-S213 PolarHBondContact SG-N 2.76Å; C211-S213 VanDerWaalsContact SG-N 3.44Å
214C82.6Confident87.2Confident29 Ų2955.9 Ų55.920%0.19629%0.285CS..THydrogen-bonded Turntrans-93.5-1.6-174.5660000115.3L116 C193 C196 C211 H216L116-C214 HydrophobicContact CD1-CB 4.46Å; L116-C214 HydrophobicContact CD2-CB 3.36Å; C193-C214 PolarHBondContact SG-SG 2.93Å; C196-C214 HydrophobicContact CB-CB 3.84Å; C196-C214 PolarHBondContact SG-SG 3.44Å; C211-C214 VanDerWaalsContact CB-SG 3.53Å; C211-C214 PolarHBondContact SG-N 2.59Å; C211-C214 VanDerWaalsContact SG-N 3.42Å; C214-H216 PolarHBondContact O-N 2.76Å; C214-H216 WeakPolarHBondContact SG-CB 3.28Å
215K86.8Confident87.7Confident136 Ų13652 Ų5259%0.59127%0.27SS*.  trans59.511-173.4-49.2-53.3-174.1-165.10114.9L210 C211 K212 T217L210-K215 HydrophobicContact CD1-CB 4.46Å; L210-K215 WeakPolarHBondContact CD1-O 3.36Å; C211-K215 WeakPolarHBondContact O-CA 3.27Å; C211-K215 PolarHBondContact O-N 3.48Å; K212-K215 PolarHBondContact O-NZ 3.42Å; K215-T217 PolarHBondContact O-N 3.44Å
216H88.1Confident88.1Confident8 Ų850.5 Ų50.54%0.03725%0.253CS..  trans-66.5133.2172.5-178.264.2000111.3M195 C211 C214 F218 N225 D227M195-H216 HydrophobicContact CB-CB 3.9Å; M195-H216 HydrophobicContact CG-CB 3.77Å; M195-H216 WeakPolarHBondContact CG-CD2 3.05Å; M195-H216 WeakPolarHBondContact CG-CE1 3.44Å; M195-H216 VanDerWaalsContact CG-ND1 3.31Å; M195-H216 WeakPolarHBondContact CG-ND1 2.99Å; M195-H216 WeakPolarHBondContact CG-NE2 3.47Å; C211-H216 PolarHBondContact N-O 3.46Å; C214-H216 PolarHBondContact O-N 2.76Å; C214-H216 WeakPolarHBondContact SG-CB 3.28Å; H216-F218 AromaticContact CD2-CD1 3.84Å; H216-N225 PolarHBondContact CE1-OD1 3.3Å; H216-D227 WeakPolarHBondContact CA-OD1 3.29Å; H216-D227 IonicContact CE1-OD2 3.03Å; H216-D227 PolarHBondContact CE1-OD2 2.84Å; H216-D227 IonicContact CG-OD2 2.75Å; H216-D227 IonicContact ND1-OD1 3.79Å; H216-D227 PolarHBondContact ND1-OD1 3.2Å; H216-D227 IonicContact ND1-OD2 2.65Å; H216-D227 PolarHBondContact ND1-OD2 3.44Å
217T91.4Very high87.9Confident24 Ų2452.2 Ų52.215%0.14726%0.259CS..EExtended strand (participates in β ladder)trans-100127.7176.7-52.30000109Q208 M209 K215 L226 D227Q208-T217 HydrophobicContact CG-CG2 3.55Å; M209-T217 CarbonylContact O-C 3.55Å; M209-T217 VanDerWaalsContact O-CA 3.24Å; M209-T217 WeakPolarHBondContact O-CA 3.19Å; K215-T217 PolarHBondContact O-N 3.44Å; T217-L226 HydrophobicContact CG2-CB 3.98Å; T217-L226 CarbonylContact O-C 3.46Å; T217-L226 WeakPolarHBondContact O-CA 3.38Å; T217-L226 PolarHBondContact O-N 3.46Å; T217-D227 WeakPolarHBondContact CB-OD1 3.3Å; T217-D227 PolarHBondContact N-OD1 3.27Å
218F91.5Very high87.5Confident0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-149.4160.9-176.966.7-80.6000112.8P194 I200 M209 C211 H216 L223 Q224P194-F218 HydrophobicContact CG-CB 3.88Å; P194-F218 HydrophobicContact CG-CD1 4.29Å; P194-F218 HydrophobicContact CG-CD2 4.03Å; P194-F218 HydrophobicContact CG-CG 3.81Å; I200-F218 HydrophobicContact CD1-CE1 3.73Å; I200-F218 HydrophobicContact CD1-CZ 3.68Å; M209-F218 HydrophobicContact CB-CD1 4.05Å; M209-F218 HydrophobicContact CB-CD2 4.38Å; M209-F218 HydrophobicContact CB-CE1 3.6Å; M209-F218 HydrophobicContact CB-CE2 3.96Å; M209-F218 HydrophobicContact CB-CG 4.42Å; M209-F218 HydrophobicContact CB-CZ 3.54Å; M209-F218 HydrophobicContact CG-CE2 4.18Å; M209-F218 HydrophobicContact CG-CZ 4.06Å; M209-F218 PolarHBondContact N-O 2.97Å; M209-F218 PolarHBondContact O-N 2.71Å; C211-F218 HydrophobicContact CB-CE1 4.45Å; H216-F218 AromaticContact CD2-CD1 3.84Å; F218-L223 HydrophobicContact CD2-CD2 3.96Å; F218-L223 HydrophobicContact CE2-CD2 3.89Å; F218-Q224 WeakPolarHBondContact CA-O 3.36Å; F218-Q224 VanDerWaalsContact CB-O 3.29Å; F218-Q224 WeakPolarHBondContact CB-O 3.24Å
219C90.7Very high87.1Confident0 Ų054.5 Ų54.50%029%0.29CS..EExtended strand (participates in β ladder)trans-81.5128.2174-179.20000111Y221 C222 L223 Q224 L226 H234C219-Y221 VanDerWaalsContact C-N 3.26Å; C219-Y221 PolarHBondContact O-N 3.49Å; C219-C222 WeakPolarHBondContact CB-SG 3.36Å; C219-C222 VanDerWaalsContact SG-SG 3.64Å; C219-L223 WeakPolarHBondContact O-CA 3.45Å; C219-L223 PolarHBondContact O-N 2.77Å; C219-Q224 PolarHBondContact N-O 3.21Å; C219-Q224 VanDerWaalsContact N-O 3.11Å; C219-L226 HydrophobicContact CB-CD1 3.92Å; C219-L226 HydrophobicContact CB-CG 4.47Å; C219-H234 PolarHBondContact SG-NE2 2.86Å; C219-H234 VanDerWaalsContact SG-NE2 3.44Å
220W90.5Very high86.3Confident3 Ų358.9 Ų58.91%0.01131%0.313CS..THydrogen-bonded Turntrans-56.6-36.9177.8-176.8-105.4000113.9E188 S189 K191 I200 R202 A207 M209E188-W220 VanDerWaalsContact O-CZ2 3.25Å; E188-W220 WeakPolarHBondContact O-CZ2 3.16Å; S189-W220 WeakPolarHBondContact O-CH2 3.45Å; K191-W220 HydrophobicContact CB-CE3 4.29Å; K191-W220 HydrophobicContact CB-CH2 3.65Å; K191-W220 HydrophobicContact CB-CZ2 4.17Å; K191-W220 HydrophobicContact CB-CZ3 3.7Å; K191-W220 HydrophobicContact CD-CD2 4.04Å; K191-W220 HydrophobicContact CD-CE3 4.28Å; K191-W220 HydrophobicContact CD-CH2 4.19Å; K191-W220 HydrophobicContact CD-CZ2 3.88Å; K191-W220 HydrophobicContact CD-CZ3 4.37Å; K191-W220 HydrophobicContact CG-CH2 3.7Å; K191-W220 HydrophobicContact CG-CZ2 3.69Å; K191-W220 HydrophobicContact CG-CZ3 4.12Å; I200-W220 HydrophobicContact CG2-CZ3 4.31Å; I200-W220 WeakPolarHBondContact O-CH2 3.29Å; R202-W220 HydrophobicContact CB-CD2 4.12Å; R202-W220 HydrophobicContact CB-CE3 4.25Å; R202-W220 HydrophobicContact CB-CH2 3.6Å; R202-W220 HydrophobicContact CB-CZ2 3.48Å; R202-W220 VanDerWaalsContact CB-CZ2 3.48Å; R202-W220 HydrophobicContact CB-CZ3 4Å; R202-W220 HydrophobicContact CG-CD2 4.49Å; A207-W220 HydrophobicContact CB-CB 4.42Å; A207-W220 WeakPolarHBondContact O-CB 3.45Å; A207-W220 PolarHBondContact O-N 2.7Å; M209-W220 HydrophobicContact CG-CB 4.13Å; M209-W220 HydrophobicContact CG-CD2 4.47Å; M209-W220 HydrophobicContact CG-CE3 3.72Å; M209-W220 HydrophobicContact CG-CZ3 4.48Å; M209-W220 HydrophobicContact SD-CE3 4.25Å
221Y88.4Confident85.7Confident89 Ų8960.9 Ų60.935%0.34932%0.318SS..THydrogen-bonded Turntrans-83.4-37.3-171.4-64.5-71.9000113.6R202 A207 C219 K243R202-Y221 VanDerWaalsContact NH1-CZ 3.32Å; R202-Y221 PolarHBondContact NH1-OH 2.91Å; R202-Y221 PolarHBondContact NH2-OH 3.48Å; A207-Y221 HydrophobicContact CB-CD2 3.93Å; A207-Y221 HydrophobicContact CB-CE2 3.49Å; A207-Y221 VanDerWaalsContact CB-CE2 3.49Å; C219-Y221 VanDerWaalsContact C-N 3.26Å; C219-Y221 PolarHBondContact O-N 3.49Å; Y221-K243 HydrophobicContact CD2-CB 3.84Å; Y221-K243 HydrophobicContact CD2-CD 4.06Å; Y221-K243 HydrophobicContact CE2-CB 3.59Å; Y221-K243 HydrophobicContact CE2-CD 4.21Å; Y221-K243 HydrophobicContact CE2-CG 4.46Å; Y221-K243 WeakPolarHBondContact CE2-O 3.43Å; Y221-K243 HydrophobicContact CG-CD 4.23Å
222C87.9Confident85.5Confident48 Ų4862.1 Ų62.132%0.32432%0.324SS..THydrogen-bonded Turntrans-118.2-1.6-174.469.10000113.8C219 Q224 H234 C240C219-C222 WeakPolarHBondContact CB-SG 3.36Å; C219-C222 VanDerWaalsContact SG-SG 3.64Å; C222-Q224 HydrophobicContact CB-CG 4.44Å; C222-Q224 PolarHBondContact O-N 3.22Å; C222-Q224 VanDerWaalsContact SG-CB 3.59Å; C222-Q224 VanDerWaalsContact SG-CG 3.59Å; C222-H234 PolarHBondContact SG-CE1 3.25Å; C222-H234 PolarHBondContact SG-NE2 2.85Å; C222-C240 VanDerWaalsContact SG-SG 3.67Å
223L88.3Confident85.5Confident73 Ų7361.7 Ų61.738%0.38232%0.317SS..  trans56.816.9179.5-52.4179.7000114.7P194 F218 C219P194-L223 HydrophobicContact CB-CB 4.3Å; P194-L223 HydrophobicContact CG-CB 4.42Å; P194-L223 WeakPolarHBondContact CG-O 3.39Å; F218-L223 HydrophobicContact CD2-CD2 3.96Å; F218-L223 HydrophobicContact CE2-CD2 3.89Å; C219-L223 WeakPolarHBondContact O-CA 3.45Å; C219-L223 PolarHBondContact O-N 2.77Å
224Q86.8Confident85.9Confident116 Ų11662.3 Ų62.354%0.54232%0.317SS..  trans-67.4144.7176.6-79.8-70.3-25.700111.9F218 C219 C222 L226F218-Q224 WeakPolarHBondContact CA-O 3.36Å; F218-Q224 VanDerWaalsContact CB-O 3.29Å; F218-Q224 WeakPolarHBondContact CB-O 3.24Å; C219-Q224 PolarHBondContact N-O 3.21Å; C219-Q224 VanDerWaalsContact N-O 3.11Å; C222-Q224 HydrophobicContact CB-CG 4.44Å; C222-Q224 PolarHBondContact O-N 3.22Å; C222-Q224 VanDerWaalsContact SG-CB 3.59Å; C222-Q224 VanDerWaalsContact SG-CG 3.59Å; Q224-L226 PolarHBondContact O-N 2.94Å
225N87.7Confident86.1Confident90 Ų9061.2 Ų61.248%0.48131%0.308SS..BIsolated β-bridgetrans-66124.3174.1-178.8-12.7000110.4H216 D227H216-N225 PolarHBondContact CE1-OD1 3.3Å; N225-D227 WeakPolarHBondContact OD1-CB 3.48Å; N225-D227 PolarHBondContact OD1-N 2.98Å; N225-D227 PolarHBondContact OD1-OD2 2.95Å
226L88.9Confident86.1Confident8 Ų857.9 Ų57.94%0.04230%0.297CS..  trans-121.716.7178.6-60.6-174.8000113.2Q208 T217 C219 Q224 G228 D229 H234 Y235Q208-L226 HydrophobicContact CB-CD1 4.49Å; Q208-L226 HydrophobicContact CG-CD1 4.05Å; T217-L226 HydrophobicContact CG2-CB 3.98Å; T217-L226 CarbonylContact O-C 3.46Å; T217-L226 WeakPolarHBondContact O-CA 3.38Å; T217-L226 PolarHBondContact O-N 3.46Å; C219-L226 HydrophobicContact CB-CD1 3.92Å; C219-L226 HydrophobicContact CB-CG 4.47Å; Q224-L226 PolarHBondContact O-N 2.94Å; L226-G228 PolarHBondContact O-N 3.31Å; L226-G228 VanDerWaalsContact O-N 3.11Å; L226-D229 HydrophobicContact CB-CB 4.2Å; L226-D229 HydrophobicContact CD2-CB 4.03Å; L226-D229 PolarHBondContact O-N 3.46Å; L226-H234 HydrophobicContact CD1-CB 4.49Å; L226-H234 HydrophobicContact CD2-CB 3.59Å; L226-Y235 HydrophobicContact CD1-CE2 4.11Å
227D82.6Confident85.9Confident80 Ų8065.7 Ų65.743%0.42833%0.331SS..THydrogen-bonded Turntrans-55.8-31.4-179-72.9-32.6000112.9H216 T217 N225H216-D227 WeakPolarHBondContact CA-OD1 3.29Å; H216-D227 IonicContact CE1-OD2 3.03Å; H216-D227 PolarHBondContact CE1-OD2 2.84Å; H216-D227 IonicContact CG-OD2 2.75Å; H216-D227 IonicContact ND1-OD1 3.79Å; H216-D227 PolarHBondContact ND1-OD1 3.2Å; H216-D227 IonicContact ND1-OD2 2.65Å; H216-D227 PolarHBondContact ND1-OD2 3.44Å; T217-D227 WeakPolarHBondContact CB-OD1 3.3Å; T217-D227 PolarHBondContact N-OD1 3.27Å; N225-D227 WeakPolarHBondContact OD1-CB 3.48Å; N225-D227 PolarHBondContact OD1-N 2.98Å; N225-D227 PolarHBondContact OD1-OD2 2.95Å
228G80.3Confident85.6Confident72 Ų7267.1 Ų67.174%0.74235%0.35SS*.THydrogen-bonded Turntrans-96.1-5.7175.300000115.4L226 I230L226-G228 PolarHBondContact O-N 3.31Å; L226-G228 VanDerWaalsContact O-N 3.11Å; G228-I230 VanDerWaalsContact C-N 3.3Å; G228-I230 PolarHBondContact O-N 3.49Å; G228-I230 VanDerWaalsContact O-N 3.12Å
229D80.6Confident85.4Confident25 Ų2572.6 Ų72.613%0.13439%0.386CS..  trans-92.157.9-173.9-167.721.7000112.7L226 F231 L232 R233 H234L226-D229 HydrophobicContact CB-CB 4.2Å; L226-D229 HydrophobicContact CD2-CB 4.03Å; L226-D229 PolarHBondContact O-N 3.46Å; D229-F231 PolarHBondContact O-N 2.83Å; D229-F231 VanDerWaalsContact O-N 3.12Å; D229-L232 PolarHBondContact O-N 3.47Å; D229-L232 VanDerWaalsContact O-N 3.13Å; D229-L232 PolarHBondContact OD1-N 3Å; D229-R233 VanDerWaalsContact CG-N 3.29Å; D229-R233 WeakPolarHBondContact OD1-CB 3.37Å; D229-R233 PolarHBondContact OD1-N 3.43Å; D229-R233 PolarHBondContact OD2-N 2.79Å; D229-H234 WeakPolarHBondContact OD2-CB 3.31Å; D229-H234 PolarHBondContact OD2-N 3.33Å
230I73.5Confident85.3Confident118 Ų11872.8 Ų72.861%0.60539%0.387SS*.THydrogen-bonded Turntrans-60.3-24.8179.2-55.3170.1000111.5G228G228-I230 VanDerWaalsContact C-N 3.3Å; G228-I230 PolarHBondContact O-N 3.49Å; G228-I230 VanDerWaalsContact O-N 3.12Å
231F78.3Confident85.2Confident143 Ų14380 Ų8063%0.62742%0.415SS*.THydrogen-bonded Turntrans-949.6-177.6-65.7-68.5000113.8D229 R233 R248D229-F231 PolarHBondContact O-N 2.83Å; D229-F231 VanDerWaalsContact O-N 3.12Å; F231-R233 HydrophobicContact CB-CG 3.8Å; F231-R233 PolarHBondContact O-N 3.43Å; F231-R233 VanDerWaalsContact O-N 3.1Å; F231-R248 PolarHBondContact O-NH2 3.08Å
232L83.3Confident85Confident26 Ų2682.2 Ų82.214%0.13643%0.432CS..  trans57.226.4176.8-59.2156000112.5D229 H234 Y235 L244 R248D229-L232 PolarHBondContact O-N 3.47Å; D229-L232 VanDerWaalsContact O-N 3.13Å; D229-L232 PolarHBondContact OD1-N 3Å; L232-H234 PolarHBondContact O-N 2.85Å; L232-Y235 HydrophobicContact CB-CD2 4.34Å; L232-Y235 HydrophobicContact CD2-CD2 4.29Å; L232-Y235 HydrophobicContact CD2-CE2 4.33Å; L232-Y235 PolarHBondContact O-N 2.91Å; L232-Y235 VanDerWaalsContact O-N 3.14Å; L232-L244 HydrophobicContact CD1-CD2 3.92Å; L232-L244 HydrophobicContact CD2-CD1 3.71Å; L232-L244 HydrophobicContact CD2-CD2 3.87Å; L232-L244 HydrophobicContact CD2-CG 4.47Å; L232-L244 HydrophobicContact CG-CD2 4.36Å; L232-R248 PolarHBondContact O-NH1 3.28Å
233R86Confident84.9Confident175 Ų17584.4 Ų84.466%0.6644%0.436SS*.G310 helixtrans-65.6-26-172.5-64.3176.767.2171.1-0.1111.7D229 F231 Y235 D236D229-R233 VanDerWaalsContact CG-N 3.29Å; D229-R233 WeakPolarHBondContact OD1-CB 3.37Å; D229-R233 PolarHBondContact OD1-N 3.43Å; D229-R233 PolarHBondContact OD2-N 2.79Å; F231-R233 HydrophobicContact CB-CG 3.8Å; F231-R233 PolarHBondContact O-N 3.43Å; F231-R233 VanDerWaalsContact O-N 3.1Å; R233-Y235 PolarHBondContact O-N 2.95Å; R233-D236 WeakPolarHBondContact O-CB 3.38Å; R233-D236 PolarHBondContact O-N 3.08Å; R233-D236 VanDerWaalsContact O-N 3.11Å
234H89.2Confident84.7Confident46 Ų4681.2 Ų81.221%0.21342%0.42CS..G310 helixtrans-53.2-32.8173.6-178.279.5000112.8C219 C222 L226 D229 L232 C240C219-H234 PolarHBondContact SG-NE2 2.86Å; C219-H234 VanDerWaalsContact SG-NE2 3.44Å; C222-H234 PolarHBondContact SG-CE1 3.25Å; C222-H234 PolarHBondContact SG-NE2 2.85Å; L226-H234 HydrophobicContact CD1-CB 4.49Å; L226-H234 HydrophobicContact CD2-CB 3.59Å; D229-H234 WeakPolarHBondContact OD2-CB 3.31Å; D229-H234 PolarHBondContact OD2-N 3.33Å; L232-H234 PolarHBondContact O-N 2.85Å; H234-C240 VanDerWaalsContact NE2-CB 3.27Å; H234-C240 WeakPolarHBondContact NE2-CB 3.28Å; H234-C240 PolarHBondContact NE2-SG 3.4Å; H234-C240 VanDerWaalsContact NE2-SG 3.39Å
235Y88.6Confident84.3Confident5 Ų578.3 Ų78.32%0.0242%0.42CS..G310 helixtrans-89.72.4-177-60-83.3000114.1A207 Q208 L226 L232 R233 C240 R241 N242 L244A207-Y235 HydrophobicContact CB-CE1 3.98Å; A207-Y235 PolarHBondContact O-OH 2.85Å; A207-Y235 VanDerWaalsContact O-OH 3.06Å; Q208-Y235 WeakPolarHBondContact CA-OH 3.3Å; Q208-Y235 HydrophobicContact CB-CE2 4.18Å; Q208-Y235 PolarHBondContact N-OH 3.49Å; Q208-Y235 VanDerWaalsContact N-OH 3.16Å; L226-Y235 HydrophobicContact CD1-CE2 4.11Å; L232-Y235 HydrophobicContact CB-CD2 4.34Å; L232-Y235 HydrophobicContact CD2-CD2 4.29Å; L232-Y235 HydrophobicContact CD2-CE2 4.33Å; L232-Y235 PolarHBondContact O-N 2.91Å; L232-Y235 VanDerWaalsContact O-N 3.14Å; R233-Y235 PolarHBondContact O-N 2.95Å; Y235-C240 HydrophobicContact CD1-CB 4.42Å; Y235-C240 WeakPolarHBondContact CD1-O 3.47Å; Y235-R241 VanDerWaalsContact O-CA 3.28Å; Y235-R241 WeakPolarHBondContact O-CA 3.32Å; Y235-N242 PolarHBondContact O-N 2.96Å; Y235-L244 HydrophobicContact CD1-CB 3.99Å; Y235-L244 HydrophobicContact CD1-CD1 4.39Å; Y235-L244 HydrophobicContact CD2-CB 4.4Å; Y235-L244 HydrophobicContact CD2-CD1 3.76Å; Y235-L244 HydrophobicContact CE1-CB 4.42Å; Y235-L244 HydrophobicContact CE1-CD1 4.22Å; Y235-L244 HydrophobicContact CE2-CD1 3.55Å; Y235-L244 HydrophobicContact CG-CB 3.98Å; Y235-L244 HydrophobicContact CG-CD1 4.18Å
236D86.1Confident83.7Confident67 Ų6777.4 Ų77.436%0.35841%0.413SS..THydrogen-bonded Turntrans-88.6-25.4-179.2-64.2-24.5000112.6R233 R241 R248R233-D236 WeakPolarHBondContact O-CB 3.38Å; R233-D236 PolarHBondContact O-N 3.08Å; R233-D236 VanDerWaalsContact O-N 3.11Å; D236-R241 WeakPolarHBondContact O-CD 3.43Å; D236-R248 IonicContact OD1-CZ 3.42Å; D236-R248 IonicContact OD1-NE 3.46Å; D236-R248 IonicContact OD1-NH1 3.99Å; D236-R248 PolarHBondContact OD1-NH1 3.41Å; D236-R248 IonicContact OD2-CZ 2.73Å; D236-R248 IonicContact OD2-NH1 2.74Å
237K83.6Confident82.8Confident172 Ų17280.8 Ų80.875%0.74844%0.437SS*.SBendtrans-144.2165.6-174.3-61.6-174.4-176.3-177.60111.5
238G86.1Confident82Confident54 Ų5480.8 Ų80.856%0.55743%0.432SS*.G310 helixtrans73.1-162.1174.600000114.4C240 R241G238-C240 PolarHBondContact O-N 2.93Å; G238-R241 VanDerWaalsContact O-CB 3.27Å; G238-R241 WeakPolarHBondContact O-CB 3.24Å; G238-R241 PolarHBondContact O-N 3.16Å; G238-R241 VanDerWaalsContact O-N 3.15Å
239P86.6Confident81.2Confident114 Ų11480.4 Ų80.474%0.7442%0.421SS*.G310 helixtrans-70.5-16-168.327.3-35.3000114.7K243P239-K243 PolarHBondContact O-NZ 3.29Å
240C89.1Confident80.5Confident4 Ų482.5 Ų82.53%0.02744%0.438CS..G310 helixtrans-101.37.6177.2-63.90000113.2C222 H234 Y235 G238 N242 K243C222-C240 VanDerWaalsContact SG-SG 3.67Å; H234-C240 VanDerWaalsContact NE2-CB 3.27Å; H234-C240 WeakPolarHBondContact NE2-CB 3.28Å; H234-C240 PolarHBondContact NE2-SG 3.4Å; H234-C240 VanDerWaalsContact NE2-SG 3.39Å; Y235-C240 HydrophobicContact CD1-CB 4.42Å; Y235-C240 WeakPolarHBondContact CD1-O 3.47Å; G238-C240 PolarHBondContact O-N 2.93Å; C240-N242 PolarHBondContact O-N 2.79Å; C240-K243 WeakPolarHBondContact O-CB 3.08Å; C240-K243 PolarHBondContact O-N 3.08Å; C240-K243 VanDerWaalsContact O-N 3.1Å
241R87.8Confident80.2Confident156 Ų15679.5 Ų79.559%0.58943%0.425SS*.THydrogen-bonded Turntrans-54.8132.2179.9-177.2177175.8-163.8-1.3111.4Y235 D236 G238 K243Y235-R241 VanDerWaalsContact O-CA 3.28Å; Y235-R241 WeakPolarHBondContact O-CA 3.32Å; D236-R241 WeakPolarHBondContact O-CD 3.43Å; G238-R241 VanDerWaalsContact O-CB 3.27Å; G238-R241 WeakPolarHBondContact O-CB 3.24Å; G238-R241 PolarHBondContact O-N 3.16Å; G238-R241 VanDerWaalsContact O-N 3.15Å; R241-K243 PolarHBondContact O-N 2.88Å; R241-K243 VanDerWaalsContact O-N 3.14Å
242N83.9Confident79.8Confident134 Ų13478.7 Ų78.772%0.71742%0.424SS*.THydrogen-bonded Turntrans61.69.9-179.5-56.4-32.2000115.8Y235 C240 L244Y235-N242 PolarHBondContact O-N 2.96Å; C240-N242 PolarHBondContact O-N 2.79Å; N242-L244 VanDerWaalsContact C-N 3.33Å; N242-L244 PolarHBondContact O-N 3.16Å
243K86.1Confident79.2Confident95 Ų9586.3 Ų86.341%0.41345%0.451SS..THydrogen-bonded Turntrans-90.314.9-179.9-62.5-170.3178.9166.50114.1A207 Y221 P239 C240 R241 G245A207-K243 WeakPolarHBondContact CB-O 3.25Å; Y221-K243 HydrophobicContact CD2-CB 3.84Å; Y221-K243 HydrophobicContact CD2-CD 4.06Å; Y221-K243 HydrophobicContact CE2-CB 3.59Å; Y221-K243 HydrophobicContact CE2-CD 4.21Å; Y221-K243 HydrophobicContact CE2-CG 4.46Å; Y221-K243 WeakPolarHBondContact CE2-O 3.43Å; Y221-K243 HydrophobicContact CG-CD 4.23Å; P239-K243 PolarHBondContact O-NZ 3.29Å; C240-K243 WeakPolarHBondContact O-CB 3.08Å; C240-K243 PolarHBondContact O-N 3.08Å; C240-K243 VanDerWaalsContact O-N 3.1Å; R241-K243 PolarHBondContact O-N 2.88Å; R241-K243 VanDerWaalsContact O-N 3.14Å; K243-G245 VanDerWaalsContact C-N 3.27Å; K243-G245 PolarHBondContact O-N 3.05Å
244L84.3Confident78.6Confident6 Ų682.6 Ų82.63%0.03145%0.445CS..THydrogen-bonded Turntrans-66.1-28.7-177.3-174.761.6000112.9C206 A207 Q208 L232 Y235 N242 H246 R248C206-L244 CarbonylContact C-O 3.52Å; C206-L244 VanDerWaalsContact CA-O 3.22Å; C206-L244 WeakPolarHBondContact CA-O 3.34Å; A207-L244 PolarHBondContact N-O 3.15Å; Q208-L244 HydrophobicContact CB-CD1 4.23Å; L232-L244 HydrophobicContact CD1-CD2 3.92Å; L232-L244 HydrophobicContact CD2-CD1 3.71Å; L232-L244 HydrophobicContact CD2-CD2 3.87Å; L232-L244 HydrophobicContact CD2-CG 4.47Å; L232-L244 HydrophobicContact CG-CD2 4.36Å; Y235-L244 HydrophobicContact CD1-CB 3.99Å; Y235-L244 HydrophobicContact CD1-CD1 4.39Å; Y235-L244 HydrophobicContact CD2-CB 4.4Å; Y235-L244 HydrophobicContact CD2-CD1 3.76Å; Y235-L244 HydrophobicContact CE1-CB 4.42Å; Y235-L244 HydrophobicContact CE1-CD1 4.22Å; Y235-L244 HydrophobicContact CE2-CD1 3.55Å; Y235-L244 HydrophobicContact CG-CB 3.98Å; Y235-L244 HydrophobicContact CG-CD1 4.18Å; N242-L244 VanDerWaalsContact C-N 3.33Å; N242-L244 PolarHBondContact O-N 3.16Å; L244-H246 VanDerWaalsContact CD2-CE1 3.43Å; L244-H246 WeakPolarHBondContact CD2-CE1 3.29Å; L244-R248 HydrophobicContact CD2-CG 4.32Å
245G78.6Confident78Confident54 Ų5487.5 Ų87.556%0.55746%0.461SS*.SBendtrans88.8-1.4178.600000115.3K243K243-G245 VanDerWaalsContact C-N 3.27Å; K243-G245 PolarHBondContact O-N 3.05Å
246H74.8Confident77.8Confident72 Ų7292 Ų9233%0.33349%0.489SS..SBendtrans-146.2160.3167.965.875.9000111L244L244-H246 VanDerWaalsContact CD2-CE1 3.43Å; L244-H246 WeakPolarHBondContact CD2-CE1 3.29Å
247S69.2Low77.7Confident79 Ų7993.2 Ų93.255%0.55249%0.493SS*.  trans-68.3133175.1-174.70000110.5A249 S250S247-A249 PolarHBondContact O-N 2.83Å; S247-A249 WeakPolarHBondContact OG-CB 3.49Å; S247-A249 PolarHBondContact OG-N 3.4Å; S247-S250 PolarHBondContact O-N 3.47Å; S247-S250 PolarHBondContact O-OG 2.75Å
248R66.1Low78Confident80 Ų8088.5 Ų88.530%0.30248%0.478SS..Hα-helixtrans-64.5-27173.1-65.5172.966.1106.712.8111.8F231 L232 D236 L244 S250 V251 M252F231-R248 PolarHBondContact O-NH2 3.08Å; L232-R248 PolarHBondContact O-NH1 3.28Å; D236-R248 IonicContact OD1-CZ 3.42Å; D236-R248 IonicContact OD1-NE 3.46Å; D236-R248 IonicContact OD1-NH1 3.99Å; D236-R248 PolarHBondContact OD1-NH1 3.41Å; D236-R248 IonicContact OD2-CZ 2.73Å; D236-R248 IonicContact OD2-NH1 2.74Å; L244-R248 HydrophobicContact CD2-CG 4.32Å; R248-S250 VanDerWaalsContact C-N 3.26Å; R248-S250 PolarHBondContact O-N 3.32Å; R248-V251 PolarHBondContact O-N 3.34Å; R248-M252 PolarHBondContact O-N 3.11Å; R248-M252 VanDerWaalsContact O-N 3.1Å
249A63.9Low78.2Confident63 Ų6390.1 Ų90.152%0.52148%0.477SS..Hα-helixtrans-60.5-35.9-179.200000111.6S247 V251 W253S247-A249 PolarHBondContact O-N 2.83Å; S247-A249 WeakPolarHBondContact OG-CB 3.49Å; S247-A249 PolarHBondContact OG-N 3.4Å; A249-V251 PolarHBondContact O-N 2.88Å; A249-W253 WeakPolarHBondContact O-CA 3.32Å; A249-W253 WeakPolarHBondContact O-CB 3.27Å; A249-W253 PolarHBondContact O-N 3.45Å
250S66.3Low78.4Confident69 Ų6986.7 Ų86.748%0.48346%0.463SS..Hα-helixtrans-67.3-38.1179.261.10000112.6S247 R248 N254S247-S250 PolarHBondContact O-N 3.47Å; S247-S250 PolarHBondContact O-OG 2.75Å; R248-S250 VanDerWaalsContact C-N 3.26Å; R248-S250 PolarHBondContact O-N 3.32Å; S250-N254 VanDerWaalsContact O-CB 3.24Å; S250-N254 WeakPolarHBondContact O-CB 3.34Å; S250-N254 PolarHBondContact O-N 3.46Å
251V67.4Low78.7Confident56 Ų5691.1 Ų91.134%0.33949%0.485SS..Hα-helixtrans-71.2-44.8178.6-178.40000111.2R248 A249 R255R248-V251 PolarHBondContact O-N 3.34Å; A249-V251 PolarHBondContact O-N 2.88Å; V251-R255 WeakPolarHBondContact O-CG 3.5Å; V251-R255 PolarHBondContact O-N 2.78Å; V251-R255 VanDerWaalsContact O-N 3.08Å
252M68.3Low78.9Confident125 Ų12588.9 Ų88.962%0.61648%0.484SS*.Hα-helixtrans-68.5-40.6176.7-66.6-15977.200111.9R248 R255 T256R248-M252 PolarHBondContact O-N 3.11Å; R248-M252 VanDerWaalsContact O-N 3.1Å; M252-R255 PolarHBondContact O-N 3.11Å; M252-T256 PolarHBondContact O-N 2.94Å; M252-T256 PolarHBondContact O-OG1 3.13Å; M252-T256 VanDerWaalsContact O-OG1 3.05Å
253W70.6Confident79.4Confident186 Ų18686.2 Ų86.271%0.70547%0.473SS*.Hα-helixtrans-59.5-47.3174.8-174.9-89.7000111.2A249 R255 T256 Q257A249-W253 WeakPolarHBondContact O-CA 3.32Å; A249-W253 WeakPolarHBondContact O-CB 3.27Å; A249-W253 PolarHBondContact O-N 3.45Å; W253-R255 PolarHBondContact O-N 2.93Å; W253-T256 PolarHBondContact O-N 3.12Å; W253-Q257 WeakPolarHBondContact O-CB 3.25Å; W253-Q257 PolarHBondContact O-N 2.95Å
254N73.4Confident79.9Confident97 Ų9783 Ų8352%0.51947%0.467SS..Hα-helixtrans-62.5-41.8178.4-165.738.8000111.9S250 Q257 V258S250-N254 VanDerWaalsContact O-CB 3.24Å; S250-N254 WeakPolarHBondContact O-CB 3.34Å; S250-N254 PolarHBondContact O-N 3.46Å; N254-Q257 PolarHBondContact O-N 2.84Å; N254-V258 VanDerWaalsContact O-CG2 3.29Å; N254-V258 WeakPolarHBondContact O-CG2 3.22Å; N254-V258 PolarHBondContact O-N 2.82Å
255R78.4Confident80.4Confident149 Ų14986.6 Ų86.656%0.56249%0.489SS*.Hα-helixtrans-62.3-48.1175.5-78.6-177.1165.5-177.3-2.5112.4V251 M252 W253 Q257 V258 V259V251-R255 WeakPolarHBondContact O-CG 3.5Å; V251-R255 PolarHBondContact O-N 2.78Å; V251-R255 VanDerWaalsContact O-N 3.08Å; M252-R255 PolarHBondContact O-N 3.11Å; W253-R255 PolarHBondContact O-N 2.93Å; R255-Q257 VanDerWaalsContact C-N 3.33Å; R255-V258 PolarHBondContact O-N 3.24Å; R255-V259 WeakPolarHBondContact O-CG2 3.31Å; R255-V259 PolarHBondContact O-N 3.05Å
256T82.9Confident81Confident99 Ų9987.3 Ų87.361%0.60749%0.485SS*.Hα-helixtrans-67.2-36.1178.7-540000111.6M252 W253 V259 G260M252-T256 PolarHBondContact O-N 2.94Å; M252-T256 PolarHBondContact O-OG1 3.13Å; M252-T256 VanDerWaalsContact O-OG1 3.05Å; W253-T256 PolarHBondContact O-N 3.12Å; T256-V259 PolarHBondContact O-N 2.94Å; T256-G260 PolarHBondContact O-N 3.45Å
257Q84.4Confident82Confident94 Ų9488.3 Ų88.344%0.43949%0.492SS..Hα-helixtrans-64-45.3177.1-176.2179.61.600111.6W253 N254 R255 G260 I261W253-Q257 WeakPolarHBondContact O-CB 3.25Å; W253-Q257 PolarHBondContact O-N 2.95Å; N254-Q257 PolarHBondContact O-N 2.84Å; R255-Q257 VanDerWaalsContact C-N 3.33Å; Q257-G260 PolarHBondContact O-N 3.46Å; Q257-I261 HydrophobicContact CG-CD1 4Å; Q257-I261 VanDerWaalsContact O-CG1 3.28Å; Q257-I261 WeakPolarHBondContact O-CG1 3.3Å; Q257-I261 PolarHBondContact O-N 3.36Å
258V89.9Confident83.3Confident72 Ų7289.6 Ų89.644%0.43649%0.492SS..Hα-helixtrans-62-45.9177.2171.20000111N254 R255 G260 I261 L262N254-V258 VanDerWaalsContact O-CG2 3.29Å; N254-V258 WeakPolarHBondContact O-CG2 3.22Å; N254-V258 PolarHBondContact O-N 2.82Å; R255-V258 PolarHBondContact O-N 3.24Å; V258-G260 VanDerWaalsContact C-N 3.32Å; V258-G260 PolarHBondContact O-N 3.16Å; V258-I261 PolarHBondContact O-N 3.06Å; V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 3.5Å
259V89.6Confident84.6Confident88 Ų8889.8 Ų89.853%0.53350%0.501SS..Hα-helixtrans-60.6-44.1175.9175.30000110.6R255 T256 I261 L262 V263R255-V259 WeakPolarHBondContact O-CG2 3.31Å; R255-V259 PolarHBondContact O-N 3.05Å; T256-V259 PolarHBondContact O-N 2.94Å; V259-I261 PolarHBondContact O-N 3.35Å; V259-L262 PolarHBondContact O-N 3.25Å; V259-V263 HydrophobicContact CG1-CG2 4.33Å; V259-V263 WeakPolarHBondContact O-CB 3.24Å; V259-V263 VanDerWaalsContact O-CG2 3.29Å; V259-V263 WeakPolarHBondContact O-CG2 3.12Å; V259-V263 PolarHBondContact O-N 2.79Å
260G92Very high86.1Confident43 Ų4393 Ų9344%0.44351%0.509SS..Hα-helixtrans-60.3-41.9176.400000113.2T256 Q257 V258 G264T256-G260 PolarHBondContact O-N 3.45Å; Q257-G260 PolarHBondContact O-N 3.46Å; V258-G260 VanDerWaalsContact C-N 3.32Å; V258-G260 PolarHBondContact O-N 3.16Å; G260-G264 PolarHBondContact O-N 3.39Å
261I94.1Very high87.4Confident96 Ų9694 Ų9449%0.49251%0.512SS..Hα-helixtrans-63.8-46.6176-69.9165.5000110.5Q257 V258 V259 V263 G264 V265Q257-I261 HydrophobicContact CG-CD1 4Å; Q257-I261 VanDerWaalsContact O-CG1 3.28Å; Q257-I261 WeakPolarHBondContact O-CG1 3.3Å; Q257-I261 PolarHBondContact O-N 3.36Å; V258-I261 PolarHBondContact O-N 3.06Å; V259-I261 PolarHBondContact O-N 3.35Å; I261-V263 PolarHBondContact O-N 2.79Å; I261-G264 PolarHBondContact O-N 3.1Å; I261-V265 HydrophobicContact CG2-CG2 4.27Å; I261-V265 WeakPolarHBondContact O-CB 3.23Å; I261-V265 VanDerWaalsContact O-CG2 3.29Å; I261-V265 WeakPolarHBondContact O-CG2 3.48Å; I261-V265 PolarHBondContact O-N 3.07Å
262L93.4Very high88.6Confident109 Ų10994 Ų9457%0.57151%0.512SS*.Hα-helixtrans-62.8-44.1179.8-70.7173.9000111.9V258 V259 S266V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 3.5Å; V259-L262 PolarHBondContact O-N 3.25Å; L262-S266 WeakPolarHBondContact O-CB 3.47Å; L262-S266 PolarHBondContact O-N 3.08Å; L262-S266 PolarHBondContact O-OG 2.95Å
263V94.6Very high89.8Confident78 Ų7890.6 Ų90.647%0.47350%0.501SS..Hα-helixtrans-64-45.3175.6172.90000110.5V259 I261 S266 I267V259-V263 HydrophobicContact CG1-CG2 4.33Å; V259-V263 WeakPolarHBondContact O-CB 3.24Å; V259-V263 VanDerWaalsContact O-CG2 3.29Å; V259-V263 WeakPolarHBondContact O-CG2 3.12Å; V259-V263 PolarHBondContact O-N 2.79Å; I261-V263 PolarHBondContact O-N 2.79Å; V263-S266 PolarHBondContact O-N 3.33Å; V263-I267 HydrophobicContact CG1-CD1 3.81Å; V263-I267 HydrophobicContact CG1-CG1 4.48Å; V263-I267 VanDerWaalsContact O-CG1 3.32Å; V263-I267 WeakPolarHBondContact O-CG1 3.38Å; V263-I267 PolarHBondContact O-N 3.34Å
264G95Very high90.8Very high28 Ų2884.9 Ų84.929%0.28949%0.488SS..Hα-helixtrans-60.5-48.7178.800000112.8G260 I261 S266 I267 I268G260-G264 PolarHBondContact O-N 3.39Å; I261-G264 PolarHBondContact O-N 3.1Å; G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 3.07Å; G264-I267 PolarHBondContact O-N 3.44Å; G264-I268 VanDerWaalsContact O-CG1 3.27Å; G264-I268 WeakPolarHBondContact O-CG1 3.27Å; G264-I268 PolarHBondContact O-N 3.47Å
265V95.1Very high91.6Very high82 Ų8285.5 Ų85.550%0.49749%0.491SS..Hα-helixtrans-61.7-41.7176.1172.30000110.9I261 I267 I268 V269I261-V265 HydrophobicContact CG2-CG2 4.27Å; I261-V265 WeakPolarHBondContact O-CB 3.23Å; I261-V265 VanDerWaalsContact O-CG2 3.29Å; I261-V265 WeakPolarHBondContact O-CG2 3.48Å; I261-V265 PolarHBondContact O-N 3.07Å; V265-I267 PolarHBondContact O-N 2.88Å; V265-I268 PolarHBondContact O-N 3.41Å; V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-V269 WeakPolarHBondContact O-CG2 3.5Å; V265-V269 PolarHBondContact O-N 3.12Å
266S92.8Very high91.9Very high68 Ų6883.5 Ų83.548%0.47649%0.491SS..Hα-helixtrans-61.2-44177.6-59.30000112.1L262 V263 G264 V269 L270L262-S266 WeakPolarHBondContact O-CB 3.47Å; L262-S266 PolarHBondContact O-N 3.08Å; L262-S266 PolarHBondContact O-OG 2.95Å; V263-S266 PolarHBondContact O-N 3.33Å; G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 3.07Å; S266-V269 PolarHBondContact O-N 3.35Å; S266-L270 WeakPolarHBondContact O-CB 3.47Å; S266-L270 VanDerWaalsContact O-CG 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.38Å; S266-L270 PolarHBondContact O-N 3.34Å
267I95.5Very high92.2Very high94 Ų9484.6 Ų84.648%0.48249%0.492SS..Hα-helixtrans-64.4-44.9176.5-67.4167.5000110.6V263 G264 V265 V269 L270 V271V263-I267 HydrophobicContact CG1-CD1 3.81Å; V263-I267 HydrophobicContact CG1-CG1 4.48Å; V263-I267 VanDerWaalsContact O-CG1 3.32Å; V263-I267 WeakPolarHBondContact O-CG1 3.38Å; V263-I267 PolarHBondContact O-N 3.34Å; G264-I267 PolarHBondContact O-N 3.44Å; V265-I267 PolarHBondContact O-N 2.88Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 3.14Å; I267-L270 PolarHBondContact O-N 2.78Å; I267-V271 HydrophobicContact CG2-CG2 4.29Å; I267-V271 WeakPolarHBondContact O-CG2 3.44Å; I267-V271 PolarHBondContact O-N 2.97Å
268I95.2Very high92.5Very high105 Ų10586.5 Ų86.554%0.53850%0.504SS..Hα-helixtrans-58.6-46.8178.2-69.3164.8000110.2G264 V265 V271 T272G264-I268 VanDerWaalsContact O-CG1 3.27Å; G264-I268 WeakPolarHBondContact O-CG1 3.27Å; G264-I268 PolarHBondContact O-N 3.47Å; V265-I268 PolarHBondContact O-N 3.41Å; I268-V271 PolarHBondContact O-N 2.84Å; I268-T272 HydrophobicContact CG2-CG2 3.99Å; I268-T272 VanDerWaalsContact O-CB 3.27Å; I268-T272 WeakPolarHBondContact O-CB 3.39Å; I268-T272 VanDerWaalsContact O-CG2 3.25Å; I268-T272 WeakPolarHBondContact O-CG2 3.18Å; I268-T272 PolarHBondContact O-N 3.34Å; I268-T272 PolarHBondContact O-OG1 3.01Å
269V94.5Very high92.3Very high84 Ų8484.8 Ų84.851%0.50950%0.498SS..Hα-helixtrans-63-43.8178.3172.30000111.3V265 S266 I267 V271 S273V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-V269 WeakPolarHBondContact O-CG2 3.5Å; V265-V269 PolarHBondContact O-N 3.12Å; S266-V269 PolarHBondContact O-N 3.35Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 3.14Å; V269-V271 VanDerWaalsContact C-N 3.32Å; V269-V271 PolarHBondContact O-N 3.26Å; V269-S273 WeakPolarHBondContact O-CB 3.49Å; V269-S273 PolarHBondContact O-N 3.26Å
270L94.8Very high92.1Very high131 Ų13182.8 Ų82.869%0.68649%0.488SS*.Hα-helixtrans-61.9-36.4177.8-76.5170.4000113.2S266 I267 P274S266-L270 WeakPolarHBondContact O-CB 3.47Å; S266-L270 VanDerWaalsContact O-CG 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.38Å; S266-L270 PolarHBondContact O-N 3.34Å; I267-L270 PolarHBondContact O-N 2.78Å; L270-P274 WeakPolarHBondContact O-CD 3.17Å; L270-P274 WeakPolarHBondContact O-CG 3.29Å
271V94.3Very high91.7Very high89 Ų8984.3 Ų84.354%0.53949%0.49SS..Hα-helixtrans-83.5-40.4-179.6175.70000112I267 I268 V269 P274I267-V271 HydrophobicContact CG2-CG2 4.29Å; I267-V271 WeakPolarHBondContact O-CG2 3.44Å; I267-V271 PolarHBondContact O-N 2.97Å; I268-V271 PolarHBondContact O-N 2.84Å; V269-V271 VanDerWaalsContact C-N 3.32Å; V269-V271 PolarHBondContact O-N 3.26Å; V271-P274 WeakPolarHBondContact O-CD 3.39Å
272T91.5Very high91.1Very high56 Ų5683.7 Ų83.734%0.34449%0.493SS..Hα-helixtrans-76.2-31.3-177.855.90000112.7I268 L275 L276I268-T272 HydrophobicContact CG2-CG2 3.99Å; I268-T272 VanDerWaalsContact O-CB 3.27Å; I268-T272 WeakPolarHBondContact O-CB 3.39Å; I268-T272 VanDerWaalsContact O-CG2 3.25Å; I268-T272 WeakPolarHBondContact O-CG2 3.18Å; I268-T272 PolarHBondContact O-N 3.34Å; I268-T272 PolarHBondContact O-OG1 3.01Å; T272-L275 PolarHBondContact O-N 3.33Å; T272-L276 WeakPolarHBondContact O-CB 3.07Å; T272-L276 WeakPolarHBondContact O-CG 3.43Å; T272-L276 PolarHBondContact O-N 3.18Å
273S92.9Very high90.5Very high55 Ų5583 Ų8339%0.38549%0.489SS..Hα-helixtrans-57.9-49.7-179.4174.50000113V269 L275 L276 L277V269-S273 WeakPolarHBondContact O-CB 3.49Å; V269-S273 PolarHBondContact O-N 3.26Å; S273-L275 PolarHBondContact O-N 3.39Å; S273-L276 PolarHBondContact O-N 3.44Å; S273-L277 WeakPolarHBondContact O-CG 2.96Å; S273-L277 PolarHBondContact O-N 3.26Å
274P92.8Very high89.8Confident66 Ų6684.1 Ų84.143%0.42949%0.492SS..Hα-helixtrans-60-39.8174.2-24.833.5000114L270 V271 L277 L278L270-P274 WeakPolarHBondContact O-CD 3.17Å; L270-P274 WeakPolarHBondContact O-CG 3.29Å; V271-P274 WeakPolarHBondContact O-CD 3.39Å; P274-L277 PolarHBondContact O-N 2.79Å; P274-L278 WeakPolarHBondContact O-CG 3.38Å; P274-L278 PolarHBondContact O-N 2.72Å
275L89.3Confident88.8Confident110 Ų11086.8 Ų86.858%0.57651%0.505SS*.Hα-helixtrans-67.3-40.2179.8-65.3174000111.8T272 S273 L278 A279T272-L275 PolarHBondContact O-N 3.33Å; S273-L275 PolarHBondContact O-N 3.39Å; L275-L278 PolarHBondContact O-N 3.1Å; L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 2.74Å
276L86.3Confident87.7Confident107 Ų10787.5 Ų87.556%0.5651%0.513SS*.Hα-helixtrans-67.3-38.5175.2-71.8172.2000111.7T272 S273 A279 S280T272-L276 WeakPolarHBondContact O-CB 3.07Å; T272-L276 WeakPolarHBondContact O-CG 3.43Å; T272-L276 PolarHBondContact O-N 3.18Å; S273-L276 PolarHBondContact O-N 3.44Å; L276-A279 PolarHBondContact O-N 3.14Å; L276-S280 VanDerWaalsContact O-CB 3.31Å; L276-S280 WeakPolarHBondContact O-CB 3.49Å; L276-S280 PolarHBondContact O-N 3.1Å
277L89Confident86.5Confident121 Ų12191.7 Ų91.763%0.63453%0.527SS*.Hα-helixtrans-64.4-39.2174.5-71.7173.7000112.1S273 P274 S280 P281S273-L277 WeakPolarHBondContact O-CG 2.96Å; S273-L277 PolarHBondContact O-N 3.26Å; P274-L277 PolarHBondContact O-N 2.79Å; L277-S280 WeakPolarHBondContact O-CB 3.2Å; L277-S280 PolarHBondContact O-N 3.35Å; L277-P281 WeakPolarHBondContact O-CD 3.44Å
278L89.7Confident85.1Confident134 Ų13491.7 Ų91.770%0.70253%0.534SS*.Hα-helixtrans-70.2-35.2175-71.3170.6000112.7P274 L275 P281P274-L278 WeakPolarHBondContact O-CG 3.38Å; P274-L278 PolarHBondContact O-N 2.72Å; L275-L278 PolarHBondContact O-N 3.1Å; L278-P281 WeakPolarHBondContact O-CD 3.14Å
279A85.3Confident83.5Confident37 Ų3795.3 Ų95.331%0.30655%0.546SS..Hα-helixtrans-79.5-19.5176.800000113.1L275 L276 C282 I283L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 2.74Å; L276-A279 PolarHBondContact O-N 3.14Å; A279-C282 WeakPolarHBondContact O-CB 3.34Å; A279-C282 PolarHBondContact O-N 3.41Å; A279-I283 HydrophobicContact CB-CD1 3.8Å; A279-I283 HydrophobicContact CB-CG1 4.37Å; A279-I283 VanDerWaalsContact O-CG1 3.31Å; A279-I283 WeakPolarHBondContact O-CG1 3.15Å; A279-I283 PolarHBondContact O-N 3.13Å
280S85.6Confident81.5Confident46 Ų4696.4 Ų96.432%0.32256%0.555SS.*Hα-helixtrans-54.6-46.6-175.3178.30000113.8L276 L277 C282 I283 L284L276-S280 VanDerWaalsContact O-CB 3.31Å; L276-S280 WeakPolarHBondContact O-CB 3.49Å; L276-S280 PolarHBondContact O-N 3.1Å; L277-S280 WeakPolarHBondContact O-CB 3.2Å; L277-S280 PolarHBondContact O-N 3.35Å; S280-C282 VanDerWaalsContact C-N 3.3Å; S280-C282 PolarHBondContact O-N 2.95Å; S280-I283 PolarHBondContact O-N 3.14Å; S280-L284 VanDerWaalsContact O-CB 3.23Å; S280-L284 WeakPolarHBondContact O-CB 3.37Å; S280-L284 WeakPolarHBondContact O-CD1 3.4Å; S280-L284 VanDerWaalsContact O-CG 3.25Å; S280-L284 WeakPolarHBondContact O-CG 3.27Å; S280-L284 PolarHBondContact O-N 3.19Å; S280-L284 WeakPolarHBondContact OG-CD1 3.44Å
281P83.9Confident79.6Confident74 Ų7497.1 Ų97.148%0.48157%0.569SS.*Hα-helixtrans-62-37176-21.132.8000112.7L277 L278 C285L277-P281 WeakPolarHBondContact O-CD 3.44Å; L278-P281 WeakPolarHBondContact O-CD 3.14Å; P281-C285 WeakPolarHBondContact O-CB 3.28Å; P281-C285 PolarHBondContact O-N 3.39Å; P281-C285 PolarHBondContact O-SG 3.18Å
282C81.3Confident77.3Confident84 Ų8497.8 Ų97.857%0.56858%0.578SS**Hα-helixtrans-71.7-43.3178.2-64.30000111.6A279 S280 C285 C286A279-C282 WeakPolarHBondContact O-CB 3.34Å; A279-C282 PolarHBondContact O-N 3.41Å; S280-C282 VanDerWaalsContact C-N 3.3Å; S280-C282 PolarHBondContact O-N 2.95Å; C282-C285 PolarHBondContact O-N 3.4Å; C282-C286 WeakPolarHBondContact O-CB 3.49Å; C282-C286 PolarHBondContact O-N 3.11Å; C282-C286 PolarHBondContact O-SG 3.23Å
283I81.9Confident75.1Confident94 Ų94106.7 Ų106.748%0.48261%0.605SS.*Hα-helixtrans-64.6-46.2177-65.2165.7000110.1A279 S280 C286 M287A279-I283 HydrophobicContact CB-CD1 3.8Å; A279-I283 HydrophobicContact CB-CG1 4.37Å; A279-I283 VanDerWaalsContact O-CG1 3.31Å; A279-I283 WeakPolarHBondContact O-CG1 3.15Å; A279-I283 PolarHBondContact O-N 3.13Å; S280-I283 PolarHBondContact O-N 3.14Å; I283-C286 PolarHBondContact O-N 3.4Å; I283-M287 WeakPolarHBondContact O-CB 3.27Å; I283-M287 VanDerWaalsContact O-CG 3.31Å; I283-M287 WeakPolarHBondContact O-CG 3.28Å; I283-M287 PolarHBondContact O-N 3.17Å
284L80Confident72.6Confident101 Ų101114 Ų11453%0.52963%0.63SS.*Hα-helixtrans-63.1-41.4175-72.4164.7000111.4S280 M287 C288S280-L284 VanDerWaalsContact O-CB 3.23Å; S280-L284 WeakPolarHBondContact O-CB 3.37Å; S280-L284 WeakPolarHBondContact O-CD1 3.4Å; S280-L284 VanDerWaalsContact O-CG 3.25Å; S280-L284 WeakPolarHBondContact O-CG 3.27Å; S280-L284 PolarHBondContact O-N 3.19Å; S280-L284 WeakPolarHBondContact OG-CD1 3.44Å; L284-M287 PolarHBondContact O-N 3.13Å; L284-C288 WeakPolarHBondContact O-CB 3.42Å; L284-C288 PolarHBondContact O-N 2.98Å; L284-C288 PolarHBondContact O-SG 3.02Å
285C74.3Confident70.2Confident84 Ų84120.8 Ų120.857%0.56865%0.653SS**Hα-helixtrans-67.8-36.8176.3-73.80000113.3P281 C282 M287 C288 K289P281-C285 WeakPolarHBondContact O-CB 3.28Å; P281-C285 PolarHBondContact O-N 3.39Å; P281-C285 PolarHBondContact O-SG 3.18Å; C282-C285 PolarHBondContact O-N 3.4Å; C285-M287 VanDerWaalsContact C-N 3.32Å; C285-C288 PolarHBondContact O-N 3.15Å; C285-K289 PolarHBondContact O-N 2.65Å
286C71.6Confident68.1Low98 Ų98125.4 Ų125.466%0.66267%0.668SS**Hα-helixtrans-68.1-30.9173.9-72.60000112.4C282 I283C282-C286 WeakPolarHBondContact O-CB 3.49Å; C282-C286 PolarHBondContact O-N 3.11Å; C282-C286 PolarHBondContact O-SG 3.23Å; I283-C286 PolarHBondContact O-N 3.4Å
287M66.1Low66.1Low155 Ų155130.2 Ų130.276%0.76469%0.685SS**Hα-helixtrans-81.7-23.1173.1-68.5-66.9100.300113.1I283 L284 C285I283-M287 WeakPolarHBondContact O-CB 3.27Å; I283-M287 VanDerWaalsContact O-CG 3.31Å; I283-M287 WeakPolarHBondContact O-CG 3.28Å; I283-M287 PolarHBondContact O-N 3.17Å; L284-M287 PolarHBondContact O-N 3.13Å; C285-M287 VanDerWaalsContact C-N 3.32Å
288C66.6Low63.6Low94 Ų94134.4 Ų134.464%0.63570%0.698SS**Hα-helixtrans-1056.2-172.5-67.30000116.8L284 C285L284-C288 WeakPolarHBondContact O-CB 3.42Å; L284-C288 PolarHBondContact O-N 2.98Å; L284-C288 PolarHBondContact O-SG 3.02Å; C285-C288 PolarHBondContact O-N 3.15Å
289K61.4Low61Low181 Ų181138.3 Ų138.379%0.78771%0.709SS**SBendtrans-137.9132.2171.1-84.6-174.6177.7164.70114.7C285C285-K289 PolarHBondContact O-N 2.65Å
290P53.8Low58.7Low108 Ų108148.5 Ų148.570%0.70174%0.74SS**  cis-137.5157.6-48.524.1-3.1000114.2S292P290-S292 PolarHBondContact O-N 2.75Å
291C53.4Low56.3Low146 Ų146155.8 Ų155.899%0.98677%0.766SS**  trans-58.866.9162-64.90000113.8
292S46.8Very low53.9Low103 Ų103164 Ų16472%0.7279%0.787SS**  trans-135.960.3171.2-163.30000111.8P290P290-S292 PolarHBondContact O-N 2.75Å
293R45.1Very low51.9Low242 Ų242166.6 Ų166.691%0.91380%0.795SS**  trans-157.441.4168-128177.3178.7-169-0.2116.6
294K41.2Very low49.9Very low210 Ų210168.2 Ų168.291%0.91381%0.812SS**  trans-144.463.3164.2-69-167.8-177.91750113.5
295K42.5Very low47.7Very low208 Ų208166.9 Ų166.990%0.90482%0.823SS**  trans-127.376.8152.7-81.5-169.4-178.2177.50109.3
296K44.7Very low45.9Very low207 Ų207171 Ų17190%0.984%0.838SS**SBendtrans-167130.9153.5-108.2169.7-171-178.20109.3
297K43.4Very low44.5Very low208 Ų208171.5 Ų171.590%0.90484%0.84SS**  trans89.182.5174-60.1-177.3174.6179.10117.6
298K37.3Very low43.4Very low208 Ų208173.2 Ų173.290%0.90485%0.846SS**  -172.2100.8125.4-118.6-179.7177.9178.60112
299K35.1Very low42.3Very low216 Ų216174.2 Ų174.294%0.93985%0.852SS**  trans-170.283.8133.1-120.8179.3176.9179.40110.1
300R37.2Very low41.8Very low252 Ų252171.1 Ų171.195%0.95185%0.85SS**  trans-112110.1148.3-102.4-169.6176.2-164-0.4105.7
301K34.5Very low41.1Very low199 Ų199171.4 Ų171.487%0.86586%0.855SS**  trans-167.9101.7145.2-112.7-169.5175.2-166.60106.4
302R33.8Very low40.4Very low245 Ų245170.3 Ų170.393%0.92585%0.848SS**  trans-121.4113161.9-175.3167.3-174.4169.70.6104.4
303D39.5Very low40.1Very low140 Ų140170.6 Ų170.675%0.74985%0.851SS**  trans-66143.8171-76.7-57.1000110.3
304P39.9Very low39.8Very low127 Ų127164.4 Ų164.483%0.82584%0.844SS**  trans-114.8135.4161.134.4-21.6000111.8
305G34.1Very low39.7Very low74 Ų74163.8 Ų163.876%0.76387%0.867SS**  trans169.189.2166.900000109
306L35.2Very low39.5Very low170 Ų170161.6 Ų161.689%0.8987%0.865SS**  112157.391-16573000107.3
307P43.1Very low39.3Very low108 Ų108159.2 Ų159.270%0.70186%0.863SS**  cis-117.6170.2-13.311.214.2000114.2
308E42.2Very low39Very low192 Ų192156.5 Ų156.590%0.89786%0.861SS**  trans-77.2154.5164.6-69.7-157.2128.100113.3
309P43.6Very low39.1Very low115 Ų115153.5 Ų153.575%0.74786%0.858SS**  trans-109.2159.8152.936.8-25.8000112.2
310P50.7Low39.4Very low116 Ų116149.6 Ų149.675%0.75385%0.853SS**  trans-91.6149.8-161.135.9-34.3000114.8
311S41.1Very low39.5Very low114 Ų114142.7 Ų142.780%0.79785%0.846SS**  trans27.9125.1145.264.90000120.8
312S37.9Very low39.9Very low122 Ų122138.7 Ų138.785%0.85385%0.845SS**  trans-146.9112138.360.30000110.5
313S40.6Very low40.4Very low110 Ų110130.5 Ų130.577%0.76984%0.839SS**  trans-76.6145.5159.251.80000110.3
314S38.2Very low40.4Very low111 Ų111129.8 Ų129.878%0.77685%0.846SS**  trans151.2132.8130.849.30000112.1
315S38.9Very low40.5Very low198 Ų198130 Ų130100%1.38585%0.848SS**  trans61.70148.5-60.80000120.4

Retrieved 315 of 315 residues in 355.4 ms (Link to these results)