A0A087X7K4_POEFO Loading...

Heme binding protein 2

AlphaFold DB , UniProt , Accession A0A087X7K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 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
1M30.5Very low36.2Very low236 Ų236135.7 Ų135.7100%1.16373%0.73SS**  0136.80-72.6-157.6-153.900108.4
2L31.3Very low38Very low167 Ų167137.3 Ų137.387%0.87475%0.748SS**  trans53.2103.5172.3-77.993.7000120
3K29.1Very low40.8Very low198 Ų198133 Ų13386%0.86176%0.756SS**  trans-26.9126.9154.5-66.5174172-175.50113.6L5K3-L5 PolarHBondContact O-N 3.23Å; K3-L5 VanDerWaalsContact O-N 3.11Å
4A32.8Very low44.1Very low103 Ų103128.3 Ų128.385%0.85173%0.727SS**  trans-65.6106.8161.600000108.2G6A4-G6 VanDerWaalsContact C-N 3.33Å; A4-G6 PolarHBondContact O-N 3.06Å
5L40.6Very low47.3Very low158 Ų158123.4 Ų123.483%0.82770%0.695SS**  trans-62.398.5163.3-87.9143.8000107.2K3 Q7K3-L5 PolarHBondContact O-N 3.23Å; K3-L5 VanDerWaalsContact O-N 3.11Å; L5-Q7 PolarHBondContact O-N 3.45Å
6G32.3Very low50.2Low69 Ų69118.9 Ų118.971%0.71168%0.675SS**  trans-66.975.7166.900000109.9A4 T8A4-G6 VanDerWaalsContact C-N 3.33Å; A4-G6 PolarHBondContact O-N 3.06Å; G6-T8 PolarHBondContact O-N 3.37Å
7Q37.3Very low52.9Low160 Ų160112.2 Ų112.275%0.74864%0.637SS**  trans-79.881.6157.2-83.8-172.7-19.600107.3L5 F9L5-Q7 PolarHBondContact O-N 3.45Å; Q7-F9 PolarHBondContact O-N 2.75Å
8T36.8Very low55.2Low85 Ų85113 Ų11352%0.52163%0.632SS.*  trans-72.3111.9165.8230000107.7G6 F10G6-T8 PolarHBondContact O-N 3.37Å; T8-F10 HydrophobicContact CG2-CE2 4.4Å; T8-F10 HydrophobicContact CG2-CZ 4.03Å; T8-F10 WeakPolarHBondContact O-CD2 3.45Å; T8-F10 WeakPolarHBondContact O-CG 3.49Å; T8-F10 PolarHBondContact O-N 3.34Å; T8-F10 VanDerWaalsContact O-N 3.13Å; T8-F10 WeakPolarHBondContact OG1-CE2 3.47Å; T8-F10 VanDerWaalsContact OG1-CZ 3.28Å; T8-F10 WeakPolarHBondContact OG1-CZ 3.37Å
9F37.5Very low57.3Low205 Ų205110.4 Ų110.490%0.89961%0.613SS**  trans-59.6110.4174.3-83.1-98.3000109.4Q7Q7-F9 PolarHBondContact O-N 2.75Å
10F43.5Very low59.3Low79 Ų79108.7 Ų108.735%0.34661%0.606SS.*  trans-121.9139-176.1-67.9-53.2000111.5T8 R180T8-F10 HydrophobicContact CG2-CE2 4.4Å; T8-F10 HydrophobicContact CG2-CZ 4.03Å; T8-F10 WeakPolarHBondContact O-CD2 3.45Å; T8-F10 WeakPolarHBondContact O-CG 3.49Å; T8-F10 PolarHBondContact O-N 3.34Å; T8-F10 VanDerWaalsContact O-N 3.13Å; T8-F10 WeakPolarHBondContact OG1-CE2 3.47Å; T8-F10 VanDerWaalsContact OG1-CZ 3.28Å; T8-F10 WeakPolarHBondContact OG1-CZ 3.37Å; F10-R180 VanDerWaalsContact CD1-CZ 3.48Å
11S46.2Very low60.9Low33 Ų33106.8 Ų106.823%0.23160%0.604CS.*SBendtrans25.8104-178.965.20000115.6G13 L14S11-G13 PolarHBondContact O-N 3.47Å; S11-L14 PolarHBondContact O-N 2.99Å
12T57.7Low63.8Low154 Ų15498.8 Ų98.895%0.94556%0.564SS**THydrogen-bonded Turntrans-40.994.4176.451.90000113
13G75.2Confident66.4Low82 Ų8299.3 Ų99.385%0.84556%0.562SS**THydrogen-bonded Turntrans94.2-13.716600000119S11S11-G13 PolarHBondContact O-N 3.47Å
14L86.6Confident68.6Low67 Ų6792.6 Ų92.635%0.35154%0.538SS..  trans-83.3134.6-178.1-61.2-179.8000111.5S11 M76 A78S11-L14 PolarHBondContact O-N 2.99Å; L14-M76 HydrophobicContact CD2-CB 4.37Å; L14-M76 WeakPolarHBondContact CD2-O 3.38Å; L14-A78 HydrophobicContact CB-CB 4.09Å; L14-A78 HydrophobicContact CD1-CB 3.87Å
15Q92.9Very high70.4Confident55 Ų5595 Ų9526%0.25753%0.53SS..BIsolated β-bridgetrans-63.3149.4169.9-72.1-179.6-18.700110.6T77 A78 Y101 E105Q15-T77 HydrophobicContact CB-CG2 4.2Å; Q15-T77 WeakPolarHBondContact O-CA 3.45Å; Q15-T77 WeakPolarHBondContact O-CB 3.39Å; Q15-A78 PolarHBondContact O-N 3.18Å; Q15-Y101 HydrophobicContact CB-CE1 4.47Å; Q15-E105 PolarHBondContact NE2-OE1 2.73Å; Q15-E105 PolarHBondContact NE2-OE2 2.78Å; Q15-E105 VanDerWaalsContact NE2-OE2 3.09Å; Q15-E105 PolarHBondContact OE1-OE2 2.7Å
16S93.8Very high71.8Confident52 Ų5288 Ų8836%0.36450%0.496SS..  trans-146.5154.2-176.761.40000112K18 A78S16-K18 PolarHBondContact O-N 3.2Å; S16-A78 WeakPolarHBondContact CA-O 3.24Å; S16-A78 WeakPolarHBondContact CB-O 3.43Å
17P95.3Very high74.1Confident4 Ų494.1 Ų94.13%0.02651%0.506CS..  trans-62.7132.5177.928.8-38.6000111Y34 W39 A78 Y101P17-Y34 HydrophobicContact CB-CD1 4.12Å; P17-Y34 HydrophobicContact CB-CE1 4.3Å; P17-Y34 HydrophobicContact CG-CD1 4.27Å; P17-Y34 HydrophobicContact CG-CE1 3.97Å; P17-W39 HydrophobicContact CB-CZ2 3.82Å; P17-W39 HydrophobicContact CG-CH2 3.95Å; P17-W39 HydrophobicContact CG-CZ2 3.68Å; P17-A78 WeakPolarHBondContact CD-O 3.49Å; P17-Y101 HydrophobicContact CB-CD2 3.95Å; P17-Y101 HydrophobicContact CB-CE2 4.13Å; P17-Y101 HydrophobicContact CB-CG 4.48Å
18K94.1Very high76.6Confident127 Ų12789.7 Ų89.755%0.55249%0.487SS*.  trans-75138.8178.9-63.7171.2-171.1152.90110.2S16 H35 D104S16-K18 PolarHBondContact O-N 3.2Å; K18-H35 PolarHBondContact O-N 2.86Å; K18-D104 IonicContact NZ-OD2 3.77Å; K18-D104 PolarHBondContact NZ-OD2 2.91Å
19F95.9Very high79.4Confident63 Ų6386.1 Ų86.128%0.27647%0.465SS..EExtended strand (participates in β ladder)trans-140.2156175.264-95.4000111.2A21 R32 T33 Y34F19-A21 HydrophobicContact CE2-CB 4.34Å; F19-R32 HydrophobicContact CB-CB 4.22Å; F19-R32 HydrophobicContact CD2-CB 3.76Å; F19-R32 HydrophobicContact CD2-CG 3.63Å; F19-R32 HydrophobicContact CE2-CB 4.34Å; F19-R32 HydrophobicContact CE2-CG 3.69Å; F19-R32 HydrophobicContact CG-CB 4.04Å; F19-R32 HydrophobicContact CG-CG 4.23Å; F19-R32 HydrophobicContact CZ-CG 4.31Å; F19-T33 CarbonylContact C-O 3.55Å; F19-T33 WeakPolarHBondContact CA-O 3.33Å; F19-T33 WeakPolarHBondContact CB-O 3.41Å; F19-Y34 HydrophobicContact CB-CD1 3.78Å; F19-Y34 HydrophobicContact CB-CE1 3.89Å; F19-Y34 HydrophobicContact CB-CG 4.11Å; F19-Y34 HydrophobicContact CD1-CD1 4.43Å; F19-Y34 AromaticContact CD1-CE1 3.74Å; F19-Y34 HydrophobicContact CD1-CE1 3.74Å; F19-Y34 HydrophobicContact CG-CE1 4.16Å
20T96.1Very high82.1Confident77 Ų7779.5 Ų79.547%0.47244%0.437SS..EExtended strand (participates in β ladder)trans-98.1127.5166.3-600000108.9T33 H35T20-T33 PolarHBondContact N-O 3.41Å; T20-T33 PolarHBondContact O-N 2.97Å; T20-H35 PolarHBondContact OG1-NE2 2.82Å
21A93.7Very high84.7Confident69 Ų6976.3 Ų76.357%0.5742%0.423SS*.EExtended strand (participates in β ladder)trans-83.1137.4174.400000110.6F19 I31F19-A21 HydrophobicContact CE2-CB 4.34Å; A21-I31 WeakPolarHBondContact CA-O 3.36Å
22E91.7Very high87.1Confident67 Ų6774.7 Ų74.731%0.31341%0.412SS..EExtended strand (participates in β ladder)trans-102.8153.5170.7-64.4167.3-140.800110.1P24 I31 T33 K187E22-P24 WeakPolarHBondContact O-CD 3.46Å; E22-I31 HydrophobicContact CB-CB 3.9Å; E22-I31 HydrophobicContact CB-CG2 3.85Å; E22-I31 HydrophobicContact CG-CG2 4.18Å; E22-I31 PolarHBondContact N-O 3.39Å; E22-T33 PolarHBondContact OE1-OG1 2.83Å; E22-K187 IonicContact OE2-NZ 3.54Å; E22-K187 PolarHBondContact OE2-NZ 2.94Å
23E84.7Confident89Confident179 Ų17968.2 Ų68.284%0.83637%0.372SS*.PPolyproline II helixtrans-63.4118.7172.7-69.1-67.316400109.3
24P75.7Confident90Very high56 Ų5664.5 Ų64.536%0.36433%0.333SS..PPolyproline II helixtrans-75.3149.7-177.533.1-35.7000110.7E22 G26 I31E22-P24 WeakPolarHBondContact O-CD 3.46Å; P24-G26 VanDerWaalsContact C-N 3.28Å; P24-G26 VanDerWaalsContact CB-O 3.27Å; P24-G26 WeakPolarHBondContact CB-O 3.38Å; P24-G26 VanDerWaalsContact CG-O 3.32Å; P24-G26 WeakPolarHBondContact CG-O 3.32Å; P24-I31 HydrophobicContact CB-CG1 4.41Å
25K70.7Confident90.4Very high154 Ų15464.8 Ų64.867%0.6733%0.332SS*.SBendtrans-74.5-19.9169.2-72.1-168.8-178.6179.50112.7V158K25-V158 HydrophobicContact CD-CG1 3.86Å
26G71.1Confident90.6Very high12 Ų1266.4 Ų66.412%0.12435%0.347CS..SBendtrans-126.7175.5179.700000112.6P24P24-G26 VanDerWaalsContact C-N 3.28Å; P24-G26 VanDerWaalsContact CB-O 3.27Å; P24-G26 WeakPolarHBondContact CB-O 3.38Å; P24-G26 VanDerWaalsContact CG-O 3.32Å; P24-G26 WeakPolarHBondContact CG-O 3.32Å
27Q79.1Confident90.7Very high196 Ų19664.6 Ų64.692%0.91633%0.334SS*.SBendtrans-98.7-7.3-179.1-61.7-178.330.800113.5
28D89.7Confident90.8Very high67 Ų6768.3 Ų68.336%0.35835%0.347SS..SBendtrans-102.5-2.6-164.4-51.3-47.3000114.3R131 R155D28-R131 PolarHBondContact O-NH1 3.4Å; D28-R155 IonicContact OD2-CZ 3.43Å; D28-R155 IonicContact OD2-NH1 2.87Å; D28-R155 PolarHBondContact OD2-NH1 3.16Å; D28-R155 IonicContact OD2-NH2 3.47Å; D28-R155 PolarHBondContact OD2-NH2 2.74Å
29Y95.7Very high91Very high10 Ų1062.5 Ų62.54%0.03932%0.322CS..  trans-151.3158.1177.162.5-90000111.1I31 Y129 V130 L149 L153 D156Y29-I31 HydrophobicContact CD2-CG1 4.21Å; Y29-I31 HydrophobicContact CE2-CD1 4.27Å; Y29-I31 HydrophobicContact CE2-CG1 3.9Å; Y29-Y129 AromaticContact CD2-CD1 3.89Å; Y29-Y129 HydrophobicContact CD2-CD1 3.89Å; Y29-Y129 AromaticContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CE1 4.19Å; Y29-V130 CarbonylContact C-O 3.56Å; Y29-V130 VanDerWaalsContact CA-O 3.32Å; Y29-V130 WeakPolarHBondContact CA-O 3.31Å; Y29-V130 WeakPolarHBondContact CB-O 3.27Å; Y29-L149 HydrophobicContact CD1-CD1 4.27Å; Y29-L149 HydrophobicContact CG-CD1 3.99Å; Y29-L153 HydrophobicContact CD1-CD2 4.26Å; Y29-L153 HydrophobicContact CD2-CD2 4.17Å; Y29-L153 HydrophobicContact CE1-CD2 3.95Å; Y29-L153 HydrophobicContact CE2-CD2 3.85Å; Y29-L153 HydrophobicContact CG-CD2 4.38Å; Y29-D156 WeakPolarHBondContact CE1-OD2 3.35Å; Y29-D156 PolarHBondContact OH-OD2 3.48Å
30E96.1Very high91.2Very high67 Ų6759.5 Ų59.531%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-99.9153.6172.2-65.2170-117.300110.3R32 Y129 V130E30-R32 HydrophobicContact CB-CG 4.26Å; E30-R32 IonicContact OE1-CZ 3.83Å; E30-R32 IonicContact OE1-NH2 3.28Å; E30-R32 PolarHBondContact OE1-NH2 3Å; E30-R32 IonicContact OE2-CZ 2.91Å; E30-R32 VanDerWaalsContact OE2-CZ 3.28Å; E30-R32 IonicContact OE2-NE 2.79Å; E30-R32 PolarHBondContact OE2-NE 2.8Å; E30-R32 IonicContact OE2-NH2 2.81Å; E30-R32 PolarHBondContact OE2-NH2 2.91Å; E30-Y129 CarbonylContact O-C 3.59Å; E30-Y129 WeakPolarHBondContact O-CA 3.32Å; E30-V130 HydrophobicContact CB-CB 4.43Å; E30-V130 PolarHBondContact N-O 3.41Å; E30-V130 PolarHBondContact O-N 3.22Å
31I96.3Very high91.3Very high11 Ų1155.9 Ų55.96%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-110.4119169.4-53.6178.7000107.1A21 E22 P24 Y29 T127 Y129A21-I31 WeakPolarHBondContact CA-O 3.36Å; E22-I31 HydrophobicContact CB-CB 3.9Å; E22-I31 HydrophobicContact CB-CG2 3.85Å; E22-I31 HydrophobicContact CG-CG2 4.18Å; E22-I31 PolarHBondContact N-O 3.39Å; P24-I31 HydrophobicContact CB-CG1 4.41Å; Y29-I31 HydrophobicContact CD2-CG1 4.21Å; Y29-I31 HydrophobicContact CE2-CD1 4.27Å; Y29-I31 HydrophobicContact CE2-CG1 3.9Å; I31-T127 HydrophobicContact CG2-CG2 3.69Å; I31-Y129 HydrophobicContact CD1-CD1 4.4Å; I31-Y129 HydrophobicContact CD1-CE1 4.05Å; I31-Y129 HydrophobicContact CG1-CD1 3.88Å; I31-Y129 HydrophobicContact CG1-CE1 4.02Å
32R97Very high91.5Very high0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-126.4123.2-175.8-58.6-175.6-170.1155.74.7110F19 E30 Y34 T127 A128 V130 E182F19-R32 HydrophobicContact CB-CB 4.22Å; F19-R32 HydrophobicContact CD2-CB 3.76Å; F19-R32 HydrophobicContact CD2-CG 3.63Å; F19-R32 HydrophobicContact CE2-CB 4.34Å; F19-R32 HydrophobicContact CE2-CG 3.69Å; F19-R32 HydrophobicContact CG-CB 4.04Å; F19-R32 HydrophobicContact CG-CG 4.23Å; F19-R32 HydrophobicContact CZ-CG 4.31Å; E30-R32 HydrophobicContact CB-CG 4.26Å; E30-R32 IonicContact OE1-CZ 3.83Å; E30-R32 IonicContact OE1-NH2 3.28Å; E30-R32 PolarHBondContact OE1-NH2 3Å; E30-R32 IonicContact OE2-CZ 2.91Å; E30-R32 VanDerWaalsContact OE2-CZ 3.28Å; E30-R32 IonicContact OE2-NE 2.79Å; E30-R32 PolarHBondContact OE2-NE 2.8Å; E30-R32 IonicContact OE2-NH2 2.81Å; E30-R32 PolarHBondContact OE2-NH2 2.91Å; R32-Y34 HydrophobicContact CB-CD2 4.28Å; R32-Y34 HydrophobicContact CB-CE2 3.74Å; R32-Y34 WeakPolarHBondContact CD-OH 3.47Å; R32-Y34 PolarHBondContact NH1-OH 2.85Å; R32-T127 CarbonylContact O-C 3.6Å; R32-T127 WeakPolarHBondContact O-CA 3.37Å; R32-A128 PolarHBondContact N-O 2.98Å; R32-A128 PolarHBondContact O-N 3.27Å; R32-V130 HydrophobicContact CB-CG2 4.39Å; R32-V130 HydrophobicContact CG-CG2 4.19Å; R32-E182 IonicContact CZ-OE1 2.8Å; R32-E182 VanDerWaalsContact NH1-CD 3.33Å; R32-E182 IonicContact NH1-OE1 2.95Å; R32-E182 PolarHBondContact NH1-OE1 3.47Å; R32-E182 IonicContact NH1-OE2 3.39Å; R32-E182 PolarHBondContact NH1-OE2 2.81Å; R32-E182 IonicContact NH2-OE1 3.79Å; R32-E182 PolarHBondContact NH2-OE1 3.11Å
33T97.1Very high91.9Very high18 Ų1851.5 Ų51.511%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-96.8109.5170.5-69.60000109F19 T20 E22 E125 T127F19-T33 CarbonylContact C-O 3.55Å; F19-T33 WeakPolarHBondContact CA-O 3.33Å; F19-T33 WeakPolarHBondContact CB-O 3.41Å; T20-T33 PolarHBondContact N-O 3.41Å; T20-T33 PolarHBondContact O-N 2.97Å; E22-T33 PolarHBondContact OE1-OG1 2.83Å; T33-E125 HydrophobicContact CG2-CG 4.02Å; T33-T127 WeakPolarHBondContact OG1-CB 3.39Å; T33-T127 WeakPolarHBondContact OG1-CG2 3.48Å; T33-T127 PolarHBondContact OG1-OG1 2.93Å
34Y96.6Very high92.5Very high4 Ų443.9 Ų43.92%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-87.9127.3-180-73.6-86.1000110P17 F19 R32 E125 F126 A128 W184P17-Y34 HydrophobicContact CB-CD1 4.12Å; P17-Y34 HydrophobicContact CB-CE1 4.3Å; P17-Y34 HydrophobicContact CG-CD1 4.27Å; P17-Y34 HydrophobicContact CG-CE1 3.97Å; F19-Y34 HydrophobicContact CB-CD1 3.78Å; F19-Y34 HydrophobicContact CB-CE1 3.89Å; F19-Y34 HydrophobicContact CB-CG 4.11Å; F19-Y34 HydrophobicContact CD1-CD1 4.43Å; F19-Y34 AromaticContact CD1-CE1 3.74Å; F19-Y34 HydrophobicContact CD1-CE1 3.74Å; F19-Y34 HydrophobicContact CG-CE1 4.16Å; R32-Y34 HydrophobicContact CB-CD2 4.28Å; R32-Y34 HydrophobicContact CB-CE2 3.74Å; R32-Y34 WeakPolarHBondContact CD-OH 3.47Å; R32-Y34 PolarHBondContact NH1-OH 2.85Å; Y34-E125 WeakPolarHBondContact O-CA 3.49Å; Y34-E125 WeakPolarHBondContact O-CG 3.43Å; Y34-F126 HydrophobicContact CD2-CD2 4.2Å; Y34-F126 AromaticContact CD2-CE2 3.45Å; Y34-F126 HydrophobicContact CD2-CE2 3.45Å; Y34-F126 VanDerWaalsContact CD2-CE2 3.45Å; Y34-F126 AromaticContact CD2-CZ 3.67Å; Y34-F126 HydrophobicContact CD2-CZ 3.67Å; Y34-F126 HydrophobicContact CE2-CE2 4.19Å; Y34-F126 HydrophobicContact CE2-CZ 4.47Å; Y34-F126 HydrophobicContact CG-CE1 4.34Å; Y34-F126 HydrophobicContact CG-CE2 4.01Å; Y34-F126 AromaticContact CG-CZ 3.76Å; Y34-F126 HydrophobicContact CG-CZ 3.76Å; Y34-F126 PolarHBondContact N-O 2.91Å; Y34-F126 PolarHBondContact O-N 3.2Å; Y34-A128 HydrophobicContact CE2-CB 4.38Å; Y34-W184 HydrophobicContact CE1-CH2 4.26Å; Y34-W184 HydrophobicContact CE2-CE3 4.48Å; Y34-W184 HydrophobicContact CE2-CH2 4.26Å; Y34-W184 HydrophobicContact CE2-CZ3 4.18Å; Y34-W184 AromaticContact CZ-CH2 3.79Å; Y34-W184 WeakPolarHBondContact OH-CZ2 3.48Å
35H94.9Very high93.6Very high73 Ų7344.1 Ų44.134%0.33823%0.226SC..PPolyproline II helixtrans-70.6161.6177.5-59.9-56.7000111.7K18 T20 T37 E125K18-H35 PolarHBondContact O-N 2.86Å; T20-H35 PolarHBondContact OG1-NE2 2.82Å; H35-T37 PolarHBondContact O-N 2.84Å; H35-T37 PolarHBondContact O-OG1 3.49Å; H35-E125 IonicContact ND1-OE2 3.4Å
36P96.6Very high94.8Very high88 Ų8837.3 Ų37.357%0.57120%0.199SC*.PPolyproline II helixtrans-55.1125.8175.5-24.334.3000111.2R123 E125P36-R123 CarbonylContact C-O 3.52Å; P36-R123 VanDerWaalsContact CA-O 3.25Å; P36-R123 WeakPolarHBondContact CA-O 3.1Å; P36-E125 HydrophobicContact CG-CB 4.09Å
37T96.3Very high95.9Very high15 Ų1541.7 Ų41.79%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-145.4150.1-17646.90000110.6H35 W39 Y101 R123H35-T37 PolarHBondContact O-N 2.84Å; H35-T37 PolarHBondContact O-OG1 3.49Å; T37-W39 PolarHBondContact OG1-NE1 3.39Å; T37-Y101 HydrophobicContact CG2-CE2 3.77Å; T37-R123 PolarHBondContact N-O 2.79Å; T37-R123 PolarHBondContact O-N 3.36Å
38R98.2Very high96.6Very high82 Ų8237.3 Ų37.331%0.30920%0.197SC..EExtended strand (participates in β ladder)trans-96.3140.5173.4-62.2-164.3178.3142.4-9.6111.7I102 Q107 E108 L120 E121 D122R38-I102 HydrophobicContact CB-CD1 4.01Å; R38-I102 PolarHBondContact O-N 3.3Å; R38-Q107 WeakPolarHBondContact CD-O 3.26Å; R38-Q107 PolarHBondContact NH1-O 3.46Å; R38-Q107 PolarHBondContact O-NE2 2.66Å; R38-E108 PolarHBondContact NH1-O 3.44Å; R38-L120 HydrophobicContact CB-CD1 4.06Å; R38-E121 WeakPolarHBondContact CA-O 3.37Å; R38-D122 WeakPolarHBondContact CD-OD1 3.45Å; R38-D122 VanDerWaalsContact CG-OD1 3.28Å; R38-D122 WeakPolarHBondContact CG-OD1 3.35Å; R38-D122 IonicContact CZ-OD1 3.02Å; R38-D122 IonicContact NE-OD1 3.45Å; R38-D122 PolarHBondContact NE-OD1 3.01Å
39W98.6Very high96.8Very high4 Ų434.3 Ų34.32%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-129.3149.6-178.5-68.269.7000109.2P17 T37 T81 F100 Y101 E121 R123P17-W39 HydrophobicContact CB-CZ2 3.82Å; P17-W39 HydrophobicContact CG-CH2 3.95Å; P17-W39 HydrophobicContact CG-CZ2 3.68Å; T37-W39 PolarHBondContact OG1-NE1 3.39Å; W39-T81 HydrophobicContact CH2-CG2 3.79Å; W39-T81 HydrophobicContact CZ3-CG2 3.79Å; W39-F100 WeakPolarHBondContact CA-O 3.48Å; W39-F100 VanDerWaalsContact CE3-O 3.28Å; W39-Y101 AromaticContact CE2-CD2 3.99Å; W39-Y101 HydrophobicContact CZ2-CD2 4Å; W39-Y101 HydrophobicContact CZ2-CG 4.43Å; W39-E121 HydrophobicContact CB-CB 4.32Å; W39-E121 PolarHBondContact N-O 2.83Å; W39-E121 PolarHBondContact O-N 2.84Å; W39-R123 HydrophobicContact CG-CG 4.46Å
40M98.7Very high96.6Very high1 Ų136.7 Ų36.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-99.6125.8168.2-172.35960.500108.1L60 Y63 S99 F100 I102 P113 V118 F119 L120M40-L60 HydrophobicContact CG-CD2 3.98Å; M40-Y63 HydrophobicContact CB-CE1 4.48Å; M40-Y63 HydrophobicContact CE-CE1 4.38Å; M40-Y63 HydrophobicContact CE-CE2 3.89Å; M40-Y63 HydrophobicContact CG-CD1 3.99Å; M40-Y63 HydrophobicContact CG-CD2 4.4Å; M40-Y63 HydrophobicContact CG-CE1 4.03Å; M40-Y63 HydrophobicContact CG-CE2 4.4Å; M40-Y63 HydrophobicContact CG-CG 4.19Å; M40-Y63 HydrophobicContact SD-CE2 4.33Å; M40-S99 VanDerWaalsContact O-CA 3.31Å; M40-S99 WeakPolarHBondContact O-CA 3.19Å; M40-F100 HydrophobicContact CB-CD1 4.03Å; M40-F100 HydrophobicContact CB-CE1 3.43Å; M40-F100 VanDerWaalsContact CB-CE1 3.43Å; M40-F100 HydrophobicContact CB-CE2 4.44Å; M40-F100 HydrophobicContact CB-CZ 3.64Å; M40-F100 HydrophobicContact CG-CE1 3.82Å; M40-F100 HydrophobicContact CG-CZ 4.22Å; M40-F100 PolarHBondContact N-O 3.5Å; M40-F100 VanDerWaalsContact N-O 3.1Å; M40-F100 PolarHBondContact O-N 2.88Å; M40-F100 VanDerWaalsContact O-N 3.09Å; M40-I102 HydrophobicContact CB-CD1 4.34Å; M40-I102 HydrophobicContact CB-CG1 4.21Å; M40-I102 HydrophobicContact CE-CD1 4.45Å; M40-P113 HydrophobicContact SD-CG 4.22Å; M40-V118 HydrophobicContact CG-CG1 3.68Å; M40-V118 HydrophobicContact SD-CG1 3.45Å; M40-V118 WeakPolarHBondContact SD-CG1 3.35Å; M40-F119 VanDerWaalsContact SD-C 3.51Å; M40-L120 HydrophobicContact CE-CB 4.47Å; M40-L120 HydrophobicContact CE-CD1 4.25Å
41S98.8Very high96.6Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-133.5157.6-162.2-64.90000112.5V98 S99 V118 F119 E121S41-V98 CarbonylContact C-O 3.57Å; S41-V98 VanDerWaalsContact CA-O 3.24Å; S41-V98 WeakPolarHBondContact CA-O 3.33Å; S41-S99 WeakPolarHBondContact OG-CB 3.39Å; S41-S99 PolarHBondContact OG-OG 2.93Å; S41-V118 CarbonylContact O-C 3.49Å; S41-V118 WeakPolarHBondContact O-CA 3.3Å; S41-F119 PolarHBondContact N-O 3.34Å; S41-F119 PolarHBondContact O-N 3.48Å; S41-E121 WeakPolarHBondContact OG-CB 3.49Å; S41-E121 PolarHBondContact OG-OE2 2.83Å
42T98.8Very high96.6Very high0 Ų038.6 Ų38.60%021%0.205CC..EExtended strand (participates in β ladder)trans-150.1144.6171.2-174.10000108.7G56 R59 L60 T97 V98 D117T42-G56 VanDerWaalsContact CG2-CA 3.43Å; T42-G56 WeakPolarHBondContact CG2-O 3.25Å; T42-R59 HydrophobicContact CG2-CB 4.29Å; T42-R59 WeakPolarHBondContact OG1-CD 3.34Å; T42-R59 PolarHBondContact OG1-NH1 2.87Å; T42-L60 HydrophobicContact CG2-CD1 4.23Å; T42-L60 HydrophobicContact CG2-CD2 4.26Å; T42-L60 HydrophobicContact CG2-CG 3.93Å; T42-T97 CarbonylContact O-C 3.59Å; T42-T97 WeakPolarHBondContact O-CA 3.26Å; T42-V98 HydrophobicContact CG2-CB 4.38Å; T42-V98 PolarHBondContact N-O 3Å; T42-V98 PolarHBondContact O-N 2.93Å; T42-D117 WeakPolarHBondContact CA-O 3.36Å; T42-D117 WeakPolarHBondContact CB-O 3.47Å; T42-D117 PolarHBondContact OG1-O 3.09Å
43T98.7Very high96.5Very high44 Ų4440 Ų4027%0.2721%0.214SC..EExtended strand (participates in β ladder)trans-109.5134.5179.4-55.10000110Q95 F96 T97T43-Q95 HydrophobicContact CG2-CB 4.14Å; T43-F96 WeakPolarHBondContact CA-O 3.44Å; T43-T97 PolarHBondContact OG1-OG1 3.49Å
44V98.4Very high96.3Very high19 Ų1941.4 Ų41.412%0.11522%0.224CC..EExtended strand (participates in β ladder)trans-126.8129174.3-174.30000108C52 T55 F96V44-C52 HydrophobicContact CB-CB 4.08Å; V44-C52 HydrophobicContact CG1-CB 3.88Å; V44-T55 HydrophobicContact CG2-CG2 4.27Å; V44-F96 PolarHBondContact N-O 2.9Å; V44-F96 WeakPolarHBondContact O-CB 3.39Å; V44-F96 WeakPolarHBondContact O-CD2 3.24Å; V44-F96 PolarHBondContact O-N 2.85Å
45S97.9Very high96.4Very high62 Ų6243.9 Ų43.943%0.43424%0.24SC..EExtended strand (participates in β ladder)trans-95.2142.8172.4-57.90000110.1E93 S94S45-E93 WeakPolarHBondContact CB-OE2 3.33Å; S45-S94 WeakPolarHBondContact CA-O 3.21Å
46G96.8Very high96.5Very high10 Ų1040.4 Ų40.410%0.10322%0.224CC..EExtended strand (participates in β ladder)trans173.6-179.1172.800000114.1S94G46-S94 PolarHBondContact N-O 2.91Å; G46-S94 PolarHBondContact O-N 2.88Å
47M93.9Very high96.5Very high105 Ų10538.8 Ų38.852%0.51721%0.208SC..SBendtrans-91.6-27.5178-59.8-58-65.800112.8P90 C92 E93M47-P90 WeakPolarHBondContact CE-O 3.37Å; M47-C92 VanDerWaalsContact SD-C 3.56Å; M47-E93 HydrophobicContact CG-CG 4.48Å; M47-E93 HydrophobicContact SD-CG 4.07Å
48Q93.5Very high96.4Very high103 Ų10345.5 Ų45.548%0.48123%0.232SC..  trans-106.499.6-175.9-60.3-171.4101.800109.5D50 E51 C52Q48-D50 PolarHBondContact O-N 3.34Å; Q48-E51 HydrophobicContact CB-CB 4.07Å; Q48-E51 HydrophobicContact CB-CG 4Å; Q48-E51 PolarHBondContact NE2-OE1 3.08Å; Q48-E51 PolarHBondContact NE2-OE2 2.85Å; Q48-E51 PolarHBondContact O-N 2.9Å; Q48-C52 PolarHBondContact O-N 3.02Å; Q48-C52 PolarHBondContact O-SG 2.88Å
49G92.9Very high96.4Very high4 Ų444.6 Ų44.64%0.04123%0.228CC..Hα-helixtrans-65.5-34.9-174.400000114.8C52 T53 E139G49-C52 PolarHBondContact O-N 2.8Å; G49-T53 VanDerWaalsContact O-CB 3.29Å; G49-T53 WeakPolarHBondContact O-CB 3.43Å; G49-T53 PolarHBondContact O-N 2.86Å; G49-T53 PolarHBondContact O-OG1 2.93Å; G49-E139 WeakPolarHBondContact CA-OE1 3.39Å; G49-E139 PolarHBondContact N-OE1 2.67Å
50D92.8Very high96.4Very high61 Ų6144.5 Ų44.533%0.32623%0.228SC..Hα-helixtrans-66.1-39.9175.6-78.9-19.2000111.4Q48 S54 N138 E139 K142Q48-D50 PolarHBondContact O-N 3.34Å; D50-S54 WeakPolarHBondContact O-CB 3.28Å; D50-S54 PolarHBondContact O-N 3.01Å; D50-N138 WeakPolarHBondContact OD2-CA 3.41Å; D50-E139 HydrophobicContact CB-CG 4.35Å; D50-E139 PolarHBondContact N-OE1 3.38Å; D50-E139 PolarHBondContact OD2-N 3.24Å; D50-K142 WeakPolarHBondContact OD1-CE 3.33Å; D50-K142 IonicContact OD1-NZ 2.77Å; D50-K142 PolarHBondContact OD1-NZ 3.46Å
51E94.9Very high96.3Very high109 Ų10948.5 Ų48.551%0.50925%0.246SC..Hα-helixtrans-67.6-43.4174.7-65.1-174.417100111.9Q48 T53 S54 T55Q48-E51 HydrophobicContact CB-CB 4.07Å; Q48-E51 HydrophobicContact CB-CG 4Å; Q48-E51 PolarHBondContact NE2-OE1 3.08Å; Q48-E51 PolarHBondContact NE2-OE2 2.85Å; Q48-E51 PolarHBondContact O-N 2.9Å; E51-T53 VanDerWaalsContact C-N 3.35Å; E51-T53 PolarHBondContact O-N 2.8Å; E51-S54 PolarHBondContact O-N 3.07Å; E51-T55 WeakPolarHBondContact O-CB 3.33Å; E51-T55 PolarHBondContact O-N 3.21Å; E51-T55 PolarHBondContact O-OG1 2.92Å
52C96.5Very high96.2Very high9 Ų956.4 Ų56.46%0.06128%0.276CS..Hα-helixtrans-61.1-45.3176.4-66.60000111V44 Q48 G49 S54 T55 G56 F96V44-C52 HydrophobicContact CB-CB 4.08Å; V44-C52 HydrophobicContact CG1-CB 3.88Å; Q48-C52 PolarHBondContact O-N 3.02Å; Q48-C52 PolarHBondContact O-SG 2.88Å; G49-C52 PolarHBondContact O-N 2.8Å; C52-S54 PolarHBondContact O-N 2.91Å; C52-T55 PolarHBondContact O-N 3.18Å; C52-G56 PolarHBondContact O-N 2.82Å; C52-F96 HydrophobicContact CB-CB 3.94Å; C52-F96 HydrophobicContact CB-CD2 3.42Å; C52-F96 VanDerWaalsContact CB-CD2 3.42Å; C52-F96 HydrophobicContact CB-CE2 4.06Å; C52-F96 HydrophobicContact CB-CG 3.71Å
53T95.2Very high96.2Very high30 Ų3056.6 Ų56.618%0.18428%0.276CS..Hα-helixtrans-63.7-42.8177.7-560000111.2G49 E51 T55 G56 F57 C82 V98G49-T53 VanDerWaalsContact O-CB 3.29Å; G49-T53 WeakPolarHBondContact O-CB 3.43Å; G49-T53 PolarHBondContact O-N 2.86Å; G49-T53 PolarHBondContact O-OG1 2.93Å; E51-T53 VanDerWaalsContact C-N 3.35Å; E51-T53 PolarHBondContact O-N 2.8Å; T53-T55 VanDerWaalsContact C-N 3.32Å; T53-T55 PolarHBondContact O-N 3.47Å; T53-G56 PolarHBondContact O-N 2.91Å; T53-F57 WeakPolarHBondContact O-CB 3.16Å; T53-F57 PolarHBondContact O-N 3.31Å; T53-C82 HydrophobicContact CG2-CB 4.23Å; T53-C82 PolarHBondContact OG1-SG 3.48Å; T53-V98 HydrophobicContact CG2-CG2 4.25Å
54S94.1Very high96Very high46 Ų4654.7 Ų54.732%0.32226%0.264SS..Hα-helixtrans-62.5-38.4175.8-175.60000112.5D50 E51 C52 R58D50-S54 WeakPolarHBondContact O-CB 3.28Å; D50-S54 PolarHBondContact O-N 3.01Å; E51-S54 PolarHBondContact O-N 3.07Å; C52-S54 PolarHBondContact O-N 2.91Å; S54-R58 WeakPolarHBondContact O-CG 3.33Å; S54-R58 PolarHBondContact O-N 3.42Å; S54-R58 VanDerWaalsContact O-N 3.09Å; S54-R58 PolarHBondContact O-NE 3.42Å; S54-R58 PolarHBondContact OG-NE 2.92Å; S54-R58 PolarHBondContact OG-NH2 3.5Å
55T97.1Very high96Very high57 Ų5758.4 Ų58.435%0.3528%0.28SS..Hα-helixtrans-67.5-48.8177.3-61.50000110.9V44 E51 C52 T53 F57 R58 R59V44-T55 HydrophobicContact CG2-CG2 4.27Å; E51-T55 WeakPolarHBondContact O-CB 3.33Å; E51-T55 PolarHBondContact O-N 3.21Å; E51-T55 PolarHBondContact O-OG1 2.92Å; C52-T55 PolarHBondContact O-N 3.18Å; T53-T55 VanDerWaalsContact C-N 3.32Å; T53-T55 PolarHBondContact O-N 3.47Å; T55-F57 PolarHBondContact O-N 2.96Å; T55-R58 PolarHBondContact O-N 3.03Å; T55-R59 PolarHBondContact O-N 3.31Å; T55-R59 VanDerWaalsContact O-N 3.17Å
56G97.6Very high95.9Very high0 Ų055.9 Ų55.90%027%0.265CS..Hα-helixtrans-60.4-44.7176.500000112.2T42 C52 T53 R58 R59 L60T42-G56 VanDerWaalsContact CG2-CA 3.43Å; T42-G56 WeakPolarHBondContact CG2-O 3.25Å; C52-G56 PolarHBondContact O-N 2.82Å; T53-G56 PolarHBondContact O-N 2.91Å; G56-R58 VanDerWaalsContact C-N 3.32Å; G56-R58 PolarHBondContact O-N 3.21Å; G56-R59 WeakPolarHBondContact O-CB 3.34Å; G56-R59 PolarHBondContact O-N 3.24Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 2.86Å
57F95.9Very high95.9Very high54 Ų5458 Ų5824%0.23727%0.273CS..Hα-helixtrans-59.5-41.1175.5178.7-103.1000112.3T53 T55 R59 L60 F61 V80T53-F57 WeakPolarHBondContact O-CB 3.16Å; T53-F57 PolarHBondContact O-N 3.31Å; T55-F57 PolarHBondContact O-N 2.96Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3Å; F57-L60 PolarHBondContact O-N 2.81Å; F57-F61 HydrophobicContact CE1-CB 4.41Å; F57-F61 HydrophobicContact CZ-CD2 4.23Å; F57-F61 VanDerWaalsContact O-CB 3.31Å; F57-F61 WeakPolarHBondContact O-CB 3.28Å; F57-F61 PolarHBondContact O-N 3.01Å; F57-V80 HydrophobicContact CD2-CG1 4.25Å; F57-V80 HydrophobicContact CD2-CG2 4Å; F57-V80 HydrophobicContact CE2-CG2 3.91Å
58R96.1Very high96.1Very high155 Ų15553 Ų5359%0.58525%0.249SC*.Hα-helixtrans-63.1-36.7177.4-79.5-178.2-108.5-161.8-3.2112.8S54 T55 G56 R62S54-R58 WeakPolarHBondContact O-CG 3.33Å; S54-R58 PolarHBondContact O-N 3.42Å; S54-R58 VanDerWaalsContact O-N 3.09Å; S54-R58 PolarHBondContact O-NE 3.42Å; S54-R58 PolarHBondContact OG-NE 2.92Å; S54-R58 PolarHBondContact OG-NH2 3.5Å; T55-R58 PolarHBondContact O-N 3.03Å; G56-R58 VanDerWaalsContact C-N 3.32Å; G56-R58 PolarHBondContact O-N 3.21Å; R58-R62 WeakPolarHBondContact O-CG 3.45Å; R58-R62 PolarHBondContact O-N 2.96Å
59R97.8Very high96.4Very high63 Ų6353.8 Ų53.824%0.23825%0.251CS..Hα-helixtrans-63.6-50.4173.7-69173.5175.2-176.2-13.4110.9T42 T55 G56 F57 F61 R62 Y63 D117 V118T42-R59 HydrophobicContact CG2-CB 4.29Å; T42-R59 WeakPolarHBondContact OG1-CD 3.34Å; T42-R59 PolarHBondContact OG1-NH1 2.87Å; T55-R59 PolarHBondContact O-N 3.31Å; T55-R59 VanDerWaalsContact O-N 3.17Å; G56-R59 WeakPolarHBondContact O-CB 3.34Å; G56-R59 PolarHBondContact O-N 3.24Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3Å; R59-F61 VanDerWaalsContact C-N 3.31Å; R59-F61 PolarHBondContact O-N 2.86Å; R59-R62 WeakPolarHBondContact O-CB 3.48Å; R59-R62 PolarHBondContact O-N 2.99Å; R59-R62 VanDerWaalsContact O-N 3.14Å; R59-Y63 PolarHBondContact O-N 3.38Å; R59-D117 IonicContact CZ-OD2 3.13Å; R59-D117 IonicContact NE-OD2 3.94Å; R59-D117 IonicContact NH1-OD2 3.33Å; R59-D117 PolarHBondContact NH1-OD2 2.87Å; R59-D117 IonicContact NH2-OD2 2.74Å; R59-D117 PolarHBondContact NH2-OD2 2.86Å; R59-V118 HydrophobicContact CB-CG2 4.1Å
60L97.8Very high96.6Very high2 Ų257.8 Ų57.81%0.0127%0.274CS..Hα-helixtrans-63.4-36.4178.3-64.2176.2000112.5M40 T42 G56 F57 R62 Y63 I64 V98 F100 V118M40-L60 HydrophobicContact CG-CD2 3.98Å; T42-L60 HydrophobicContact CG2-CD1 4.23Å; T42-L60 HydrophobicContact CG2-CD2 4.26Å; T42-L60 HydrophobicContact CG2-CG 3.93Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 2.86Å; F57-L60 PolarHBondContact O-N 2.81Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 2.95Å; L60-Y63 WeakPolarHBondContact O-CB 3.47Å; L60-Y63 PolarHBondContact O-N 2.79Å; L60-Y63 VanDerWaalsContact O-N 3.13Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 2.88Å; L60-V98 HydrophobicContact CD1-CB 4.21Å; L60-V98 HydrophobicContact CD1-CG1 3.93Å; L60-V98 WeakPolarHBondContact CD1-O 3.18Å; L60-F100 HydrophobicContact CB-CD1 3.93Å; L60-F100 HydrophobicContact CB-CE1 4.18Å; L60-F100 HydrophobicContact CD1-CD1 4.12Å; L60-F100 HydrophobicContact CD2-CD1 4.23Å; L60-F100 HydrophobicContact CD2-CE1 4.25Å; L60-F100 HydrophobicContact CG-CD1 4.31Å; L60-V118 HydrophobicContact CD2-CG1 3.99Å; L60-V118 HydrophobicContact CD2-CG2 4.5Å
61F96.1Very high96.8Very high85 Ų8561.6 Ų61.637%0.37329%0.288SS..Hα-helixtrans-63-36.9175.8-171.1-105.6000112.1F57 R59 Y63 I64 Q65 M76F57-F61 HydrophobicContact CE1-CB 4.41Å; F57-F61 HydrophobicContact CZ-CD2 4.23Å; F57-F61 VanDerWaalsContact O-CB 3.31Å; F57-F61 WeakPolarHBondContact O-CB 3.28Å; F57-F61 PolarHBondContact O-N 3.01Å; R59-F61 VanDerWaalsContact C-N 3.31Å; R59-F61 PolarHBondContact O-N 2.86Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-I64 WeakPolarHBondContact O-CB 3.33Å; F61-I64 PolarHBondContact O-N 2.84Å; F61-Q65 HydrophobicContact CD1-CG 4.09Å; F61-Q65 HydrophobicContact CE1-CG 3.68Å; F61-Q65 HydrophobicContact CE2-CG 4.43Å; F61-Q65 HydrophobicContact CZ-CG 3.87Å; F61-Q65 WeakPolarHBondContact O-CG 3.31Å; F61-Q65 PolarHBondContact O-N 3.49Å; F61-M76 HydrophobicContact CD2-CE 3.71Å; F61-M76 HydrophobicContact CE2-CE 3.79Å
62R97.6Very high96.9Very high167 Ų16759.3 Ų59.363%0.6328%0.282SS*.Hα-helixtrans-63.3-42.1173-68.4176.1-175.1-152.81.3111.4R58 R59 L60 I64 Q65 G66 N67R58-R62 WeakPolarHBondContact O-CG 3.45Å; R58-R62 PolarHBondContact O-N 2.96Å; R59-R62 WeakPolarHBondContact O-CB 3.48Å; R59-R62 PolarHBondContact O-N 2.99Å; R59-R62 VanDerWaalsContact O-N 3.14Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 2.95Å; R62-I64 VanDerWaalsContact C-N 3.34Å; R62-I64 PolarHBondContact O-N 3.13Å; R62-Q65 CarbonylContact O-C 3.59Å; R62-Q65 PolarHBondContact O-N 2.77Å; R62-G66 PolarHBondContact O-N 2.8Å; R62-N67 HydrophobicContact CB-CB 3.98Å; R62-N67 WeakPolarHBondContact O-CB 2.92Å; R62-N67 PolarHBondContact O-N 2.88Å
63Y97.9Very high96.9Very high4 Ų465.8 Ų65.82%0.01631%0.309CS..Hα-helixtrans-57.5-47.9173.9170.5-85.5000111.2M40 R59 L60 F61 Q65 G66 N68 V74 F100 P111 P113 V118M40-Y63 HydrophobicContact CB-CE1 4.48Å; M40-Y63 HydrophobicContact CE-CE1 4.38Å; M40-Y63 HydrophobicContact CE-CE2 3.89Å; M40-Y63 HydrophobicContact CG-CD1 3.99Å; M40-Y63 HydrophobicContact CG-CD2 4.4Å; M40-Y63 HydrophobicContact CG-CE1 4.03Å; M40-Y63 HydrophobicContact CG-CE2 4.4Å; M40-Y63 HydrophobicContact CG-CG 4.19Å; M40-Y63 HydrophobicContact SD-CE2 4.33Å; R59-Y63 PolarHBondContact O-N 3.38Å; L60-Y63 WeakPolarHBondContact O-CB 3.47Å; L60-Y63 PolarHBondContact O-N 2.79Å; L60-Y63 VanDerWaalsContact O-N 3.13Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; Y63-Q65 VanDerWaalsContact C-N 3.25Å; Y63-Q65 PolarHBondContact O-N 2.82Å; Y63-G66 PolarHBondContact O-N 3.4Å; Y63-N68 HydrophobicContact CD2-CB 3.87Å; Y63-N68 HydrophobicContact CE2-CB 3.66Å; Y63-N68 PolarHBondContact O-ND2 3.43Å; Y63-N68 VanDerWaalsContact O-ND2 3.16Å; Y63-V74 HydrophobicContact CE1-CB 4.46Å; Y63-V74 HydrophobicContact CE1-CG2 3.89Å; Y63-F100 AromaticContact CD1-CE1 3.86Å; Y63-F100 HydrophobicContact CD1-CE1 3.86Å; Y63-F100 AromaticContact CD1-CZ 3.65Å; Y63-F100 HydrophobicContact CD1-CZ 3.65Å; Y63-F100 HydrophobicContact CE1-CE1 4.3Å; Y63-F100 AromaticContact CE1-CZ 3.69Å; Y63-F100 HydrophobicContact CE1-CZ 3.69Å; Y63-P111 WeakPolarHBondContact CE2-O 3.45Å; Y63-P111 WeakPolarHBondContact OH-CD 3.48Å; Y63-P111 PolarHBondContact OH-O 3.06Å; Y63-P113 HydrophobicContact CD2-CB 3.89Å; Y63-P113 HydrophobicContact CE2-CB 4.1Å; Y63-V118 HydrophobicContact CD2-CG1 4.46Å
64I95.8Very high97Very high4 Ų464.7 Ų64.72%0.02130%0.302CS..Hα-helixtrans-57.4-38.4176.5-70171.8000111.4L60 F61 R62 G66 K73 V74 M76 F100L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 2.88Å; F61-I64 WeakPolarHBondContact O-CB 3.33Å; F61-I64 PolarHBondContact O-N 2.84Å; R62-I64 VanDerWaalsContact C-N 3.34Å; R62-I64 PolarHBondContact O-N 3.13Å; I64-G66 PolarHBondContact O-N 2.93Å; I64-K73 WeakPolarHBondContact O-CA 3.48Å; I64-V74 WeakPolarHBondContact CG2-O 3.33Å; I64-V74 PolarHBondContact O-N 3.28Å; I64-M76 HydrophobicContact CD1-CE 3.67Å; I64-M76 HydrophobicContact CD1-SD 3.75Å; I64-M76 HydrophobicContact CG2-CE 4.1Å; I64-F100 HydrophobicContact CD1-CD1 3.98Å; I64-F100 HydrophobicContact CD1-CD2 4.23Å; I64-F100 HydrophobicContact CD1-CE1 3.89Å; I64-F100 HydrophobicContact CD1-CE2 4.22Å; I64-F100 HydrophobicContact CD1-CG 4.14Å; I64-F100 HydrophobicContact CD1-CZ 4.05Å; I64-F100 HydrophobicContact CG1-CD1 4.35Å; I64-F100 HydrophobicContact CG1-CE1 3.74Å; I64-F100 HydrophobicContact CG1-CE2 4.1Å; I64-F100 HydrophobicContact CG1-CZ 3.63Å
65Q97.1Very high97Very high96 Ų9669.3 Ų69.345%0.44932%0.319SS..THydrogen-bonded Turntrans-79.54.8177.9-67.1-59.7-49.600114.6F61 R62 Y63F61-Q65 HydrophobicContact CD1-CG 4.09Å; F61-Q65 HydrophobicContact CE1-CG 3.68Å; F61-Q65 HydrophobicContact CE2-CG 4.43Å; F61-Q65 HydrophobicContact CZ-CG 3.87Å; F61-Q65 WeakPolarHBondContact O-CG 3.31Å; F61-Q65 PolarHBondContact O-N 3.49Å; R62-Q65 CarbonylContact O-C 3.59Å; R62-Q65 PolarHBondContact O-N 2.77Å; Y63-Q65 VanDerWaalsContact C-N 3.25Å; Y63-Q65 PolarHBondContact O-N 2.82Å
66G96.7Very high96.7Very high10 Ų1069.2 Ų69.210%0.10332%0.315CS..THydrogen-bonded Turntrans107.113.4176.200000115.4R62 Y63 I64 N68 K71 T72R62-G66 PolarHBondContact O-N 2.8Å; Y63-G66 PolarHBondContact O-N 3.4Å; I64-G66 PolarHBondContact O-N 2.93Å; G66-N68 PolarHBondContact O-N 2.8Å; G66-K71 WeakPolarHBondContact O-CA 3.28Å; G66-K71 WeakPolarHBondContact O-CD 3.48Å; G66-T72 WeakPolarHBondContact CA-O 3.35Å
67N97.5Very high96.5Very high54 Ų5469.4 Ų69.429%0.28932%0.316SS..  trans-78.660169-163.337.4000111.5R62 T114R62-N67 HydrophobicContact CB-CB 3.98Å; R62-N67 WeakPolarHBondContact O-CB 2.92Å; R62-N67 PolarHBondContact O-N 2.88Å; N67-T114 PolarHBondContact O-OG1 2.85Å; N67-T114 PolarHBondContact OD1-OG1 3.1Å
68N98.3Very high96.4Very high0 Ų066.9 Ų66.90%031%0.305CS..BIsolated β-bridgetrans-138.6168.8175.95560.9000108.7Y63 G66 T70 K71 T72 P111 E112Y63-N68 HydrophobicContact CD2-CB 3.87Å; Y63-N68 HydrophobicContact CE2-CB 3.66Å; Y63-N68 PolarHBondContact O-ND2 3.43Å; Y63-N68 VanDerWaalsContact O-ND2 3.16Å; G66-N68 PolarHBondContact O-N 2.8Å; N68-T70 PolarHBondContact O-N 3.05Å; N68-T70 PolarHBondContact OD1-N 2.84Å; N68-T70 PolarHBondContact OD1-OG1 2.84Å; N68-K71 PolarHBondContact O-N 3.33Å; N68-K71 VanDerWaalsContact O-N 3.15Å; N68-K71 PolarHBondContact OD1-N 3.08Å; N68-T72 PolarHBondContact ND2-O 2.87Å; N68-T72 PolarHBondContact OD1-N 2.57Å; N68-P111 HydrophobicContact CB-CB 3.76Å; N68-E112 CarbonylContact C-O 3.57Å; N68-E112 VanDerWaalsContact CA-O 3.27Å; N68-E112 WeakPolarHBondContact CA-O 3.24Å; N68-E112 VanDerWaalsContact CB-O 3.25Å; N68-E112 WeakPolarHBondContact CB-O 3.44Å
69K98Very high96.4Very high120 Ų12059.6 Ų59.652%0.52228%0.278SS..THydrogen-bonded Turntrans-61.1-32.1-171.9-73.7-165.2-176.7170.60113.2E112 T114K69-E112 HydrophobicContact CB-CB 4.42Å; K69-E112 HydrophobicContact CD-CB 3.97Å; K69-E112 HydrophobicContact CD-CG 4.24Å; K69-E112 WeakPolarHBondContact CD-OE2 3.31Å; K69-E112 WeakPolarHBondContact CE-OE1 3.15Å; K69-E112 VanDerWaalsContact CE-OE2 3.22Å; K69-E112 WeakPolarHBondContact CE-OE2 3.37Å; K69-E112 HydrophobicContact CG-CB 4.09Å; K69-E112 PolarHBondContact N-O 3.27Å; K69-E112 IonicContact NZ-OE1 3.96Å; K69-E112 PolarHBondContact NZ-OE1 3.37Å; K69-E112 IonicContact NZ-OE2 2.57Å; K69-E112 PolarHBondContact NZ-OE2 2.77Å; K69-T114 HydrophobicContact CG-CG2 3.85Å
70T97.4Very high96.3Very high87 Ų8758 Ų5853%0.53428%0.275SS..THydrogen-bonded Turntrans-92.2-1.3-178600000113.6N68 T72N68-T70 PolarHBondContact O-N 3.05Å; N68-T70 PolarHBondContact OD1-N 2.84Å; N68-T70 PolarHBondContact OD1-OG1 2.84Å; T70-T72 WeakPolarHBondContact CB-OG1 2.99Å; T70-T72 PolarHBondContact O-N 3.25Å; T70-T72 PolarHBondContact O-OG1 3.48Å; T70-T72 WeakPolarHBondContact OG1-CB 3.38Å; T70-T72 PolarHBondContact OG1-OG1 3.26Å
71K97.9Very high96.3Very high141 Ų14157.9 Ų57.961%0.61327%0.274SS*.  trans55.527.1-175.4-53.5-58.7178.9-165.30113.6G66 N68G66-K71 WeakPolarHBondContact O-CA 3.28Å; G66-K71 WeakPolarHBondContact O-CD 3.48Å; N68-K71 PolarHBondContact O-N 3.33Å; N68-K71 VanDerWaalsContact O-N 3.15Å; N68-K71 PolarHBondContact OD1-N 3.08Å
72T96.8Very high96.4Very high62 Ų6253.9 Ų53.938%0.3826%0.257SS..  trans-86.4132.9-176.3-53.90000110G66 N68 T70G66-T72 WeakPolarHBondContact CA-O 3.35Å; N68-T72 PolarHBondContact ND2-O 2.87Å; N68-T72 PolarHBondContact OD1-N 2.57Å; T70-T72 WeakPolarHBondContact CB-OG1 2.99Å; T70-T72 PolarHBondContact O-N 3.25Å; T70-T72 PolarHBondContact O-OG1 3.48Å; T70-T72 WeakPolarHBondContact OG1-CB 3.38Å; T70-T72 PolarHBondContact OG1-OG1 3.26Å
73K97.3Very high96.4Very high144 Ų14449.8 Ų49.863%0.62624%0.241SC*.  trans-73.2135.6168.6-69.1-173.7177.5-175.30109.6I64I64-K73 WeakPolarHBondContact O-CA 3.48Å
74V96Very high96.4Very high7 Ų749.8 Ų49.84%0.04224%0.242CC..  trans-106.2138.8176.6177.50000107.9Y63 I64 F100 P103 L106 P111Y63-V74 HydrophobicContact CE1-CB 4.46Å; Y63-V74 HydrophobicContact CE1-CG2 3.89Å; I64-V74 WeakPolarHBondContact CG2-O 3.33Å; I64-V74 PolarHBondContact O-N 3.28Å; V74-F100 HydrophobicContact CG1-CE2 4.21Å; V74-F100 HydrophobicContact CG1-CZ 4.49Å; V74-P103 HydrophobicContact CG1-CG 3.79Å; V74-L106 HydrophobicContact CB-CD1 4.42Å; V74-L106 HydrophobicContact CG1-CD1 3.88Å; V74-L106 HydrophobicContact CG2-CD1 4Å; V74-P111 HydrophobicContact CG2-CG 4.26Å
75E93.9Very high96.5Very high144 Ų14451.4 Ų51.467%0.67325%0.251SS*.  trans-67.9144.5177.2-70.5-56.8139.700111.3P103E75-P103 HydrophobicContact CB-CG 4.22Å; E75-P103 WeakPolarHBondContact O-CG 3.44Å
76M91Very high96.4Very high55 Ų5548.8 Ų48.827%0.27124%0.242SC..  trans-71.5145.1176.5-171.463.968.300110L14 F61 I64L14-M76 HydrophobicContact CD2-CB 4.37Å; L14-M76 WeakPolarHBondContact CD2-O 3.38Å; F61-M76 HydrophobicContact CD2-CE 3.71Å; F61-M76 HydrophobicContact CE2-CE 3.79Å; I64-M76 HydrophobicContact CD1-CE 3.67Å; I64-M76 HydrophobicContact CD1-SD 3.75Å; I64-M76 HydrophobicContact CG2-CE 4.1Å
77T93.6Very high96.2Very high3 Ų349.1 Ų49.12%0.01825%0.245CC..BIsolated β-bridgetrans-128.8167.7177.563.20000110.7Q15 Y101 P103Q15-T77 HydrophobicContact CB-CG2 4.2Å; Q15-T77 WeakPolarHBondContact O-CA 3.45Å; Q15-T77 WeakPolarHBondContact O-CB 3.39Å; T77-Y101 WeakPolarHBondContact CB-O 3.46Å; T77-Y101 HydrophobicContact CG2-CD1 4.05Å; T77-Y101 WeakPolarHBondContact CG2-O 3.5Å; T77-Y101 PolarHBondContact OG1-N 2.69Å; T77-Y101 PolarHBondContact OG1-O 2.62Å; T77-P103 HydrophobicContact CG2-CG 3.84Å
78A93.3Very high95.9Very high2 Ų251.7 Ų51.72%0.01727%0.274CS..SBendtrans-130.6152171.300000111.5L14 Q15 S16 P17 Y170L14-A78 HydrophobicContact CB-CB 4.09Å; L14-A78 HydrophobicContact CD1-CB 3.87Å; Q15-A78 PolarHBondContact O-N 3.18Å; S16-A78 WeakPolarHBondContact CA-O 3.24Å; S16-A78 WeakPolarHBondContact CB-O 3.43Å; P17-A78 WeakPolarHBondContact CD-O 3.49Å; A78-Y170 HydrophobicContact CB-CD1 4.17Å
79P95.8Very high95.3Very high1 Ų153 Ų531%0.00629%0.288CS..PPolyproline II helixcis-80.5164.8-7.533.3-33.5000112.5T81 A168 G169 Y170 W184P79-T81 HydrophobicContact CG-CG2 3.96Å; P79-A168 HydrophobicContact CB-CB 3.84Å; P79-A168 HydrophobicContact CG-CB 3.93Å; P79-G169 WeakPolarHBondContact CA-O 3.27Å; P79-G169 WeakPolarHBondContact CB-O 3.04Å; P79-Y170 HydrophobicContact CB-CD1 3.95Å; P79-Y170 HydrophobicContact CB-CD2 3.97Å; P79-Y170 HydrophobicContact CB-CE1 3.82Å; P79-Y170 HydrophobicContact CB-CE2 3.82Å; P79-Y170 HydrophobicContact CB-CG 4.03Å; P79-Y170 HydrophobicContact CG-CE1 3.91Å; P79-Y170 HydrophobicContact CG-CE2 4.22Å; P79-W184 HydrophobicContact CG-CH2 4.35Å; P79-W184 HydrophobicContact CG-CZ2 4.24Å
80V95.6Very high94.6Very high29 Ų2953.8 Ų53.818%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-80121.5154.4178.40000107.1F57 V98 A168 G169F57-V80 HydrophobicContact CD2-CG1 4.25Å; F57-V80 HydrophobicContact CD2-CG2 4Å; F57-V80 HydrophobicContact CE2-CG2 3.91Å; V80-V98 HydrophobicContact CG1-CG1 3.69Å; V80-A168 WeakPolarHBondContact O-CA 3.33Å; V80-G169 PolarHBondContact N-O 3.17Å; V80-G169 PolarHBondContact O-N 2.97Å
81T98Very high94.1Very high0 Ų054 Ų540%032%0.316CS..EExtended strand (participates in β ladder)trans-98.9149.5177.461.50000110.4W39 P79 V98 S99 R123 T167 A168 W184W39-T81 HydrophobicContact CH2-CG2 3.79Å; W39-T81 HydrophobicContact CZ3-CG2 3.79Å; P79-T81 HydrophobicContact CG-CG2 3.96Å; T81-V98 CarbonylContact O-C 3.51Å; T81-V98 WeakPolarHBondContact O-CA 3.22Å; T81-S99 PolarHBondContact N-O 3.09Å; T81-S99 PolarHBondContact O-N 3.49Å; T81-S99 PolarHBondContact OG1-O 2.75Å; T81-R123 PolarHBondContact OG1-NH1 2.88Å; T81-R123 PolarHBondContact OG1-NH2 2.8Å; T81-T167 CarbonylContact C-O 3.54Å; T81-T167 VanDerWaalsContact CA-O 3.3Å; T81-T167 WeakPolarHBondContact CA-O 3.36Å; T81-A168 HydrophobicContact CG2-CB 4.22Å; T81-W184 HydrophobicContact CG2-CH2 3.78Å; T81-W184 HydrophobicContact CG2-CZ2 4.44Å; T81-W184 HydrophobicContact CG2-CZ3 4.04Å
82C98.3Very high93.8Very high2 Ų250.1 Ų50.11%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-131.3110.8168.5-178.50000108.2T53 T97 Y166 T167T53-C82 HydrophobicContact CG2-CB 4.23Å; T53-C82 PolarHBondContact OG1-SG 3.48Å; C82-T97 CarbonylContact C-O 3.59Å; C82-T97 WeakPolarHBondContact CA-O 3.47Å; C82-Y166 CarbonylContact O-C 3.56Å; C82-Y166 WeakPolarHBondContact O-CA 3.47Å; C82-T167 WeakPolarHBondContact CB-OG1 3.16Å; C82-T167 PolarHBondContact N-O 3.31Å; C82-T167 PolarHBondContact O-N 3.42Å
83R98.4Very high93.7Very high80 Ų8052.8 Ų52.830%0.30231%0.314SS..EExtended strand (participates in β ladder)trans-77.4124.1169.3179.2-174.2157.2167.20.6107.8D85 F96 T97 P164 Y166R83-D85 IonicContact CZ-OD1 3.01Å; R83-D85 IonicContact CZ-OD2 2.88Å; R83-D85 IonicContact NE-OD1 3.26Å; R83-D85 PolarHBondContact NE-OD1 3.41Å; R83-D85 IonicContact NE-OD2 3.72Å; R83-D85 PolarHBondContact NE-OD2 2.86Å; R83-D85 IonicContact NH2-OD1 3.67Å; R83-D85 PolarHBondContact NH2-OD1 2.9Å; R83-D85 IonicContact NH2-OD2 3.27Å; R83-D85 PolarHBondContact NH2-OD2 2.97Å; R83-F96 WeakPolarHBondContact O-CA 3.36Å; R83-T97 PolarHBondContact N-O 3.47Å; R83-T97 PolarHBondContact O-N 3.01Å; R83-P164 HydrophobicContact CG-CB 3.83Å; R83-P164 HydrophobicContact CG-CG 4.25Å; R83-Y166 HydrophobicContact CB-CD1 3.83Å; R83-Y166 HydrophobicContact CB-CE1 3.51Å; R83-Y166 HydrophobicContact CG-CD1 4.43Å; R83-Y166 HydrophobicContact CG-CE1 3.9Å; R83-Y166 HydrophobicContact CG-CE2 4.2Å
84V98.1Very high93.7Very high5 Ų547.1 Ų47.13%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-108118.2178.1-171.70000108.3P86 F96 P164 Y165V84-P86 HydrophobicContact CG1-CG 4.4Å; V84-P86 WeakPolarHBondContact O-CD 3.31Å; V84-F96 HydrophobicContact CG1-CD1 4.16Å; V84-F96 HydrophobicContact CG1-CE1 3.76Å; V84-F96 HydrophobicContact CG1-CZ 4.41Å; V84-F96 HydrophobicContact CG2-CD1 3.94Å; V84-F96 HydrophobicContact CG2-CE1 4.07Å; V84-P164 WeakPolarHBondContact O-CA 3.38Å; V84-P164 VanDerWaalsContact O-CB 3.24Å; V84-P164 WeakPolarHBondContact O-CB 3.38Å; V84-Y165 HydrophobicContact CB-CD1 4.32Å; V84-Y165 HydrophobicContact CB-CD2 4.27Å; V84-Y165 HydrophobicContact CB-CE1 3.88Å; V84-Y165 HydrophobicContact CB-CE2 3.81Å; V84-Y165 HydrophobicContact CG1-CE1 3.92Å; V84-Y165 HydrophobicContact CG1-CE2 4.39Å; V84-Y165 HydrophobicContact CG2-CD2 4.34Å; V84-Y165 HydrophobicContact CG2-CE2 3.71Å; V84-Y165 PolarHBondContact N-O 3.38Å; V84-Y165 PolarHBondContact O-N 3.14Å
85D97.6Very high93.8Very high38 Ų3851.6 Ų51.620%0.20331%0.313CS..EExtended strand (participates in β ladder)trans-104.497.3168.5-65.9-94.9000107.1R83 S94 Q95 P164R83-D85 IonicContact CZ-OD1 3.01Å; R83-D85 IonicContact CZ-OD2 2.88Å; R83-D85 IonicContact NE-OD1 3.26Å; R83-D85 PolarHBondContact NE-OD1 3.41Å; R83-D85 IonicContact NE-OD2 3.72Å; R83-D85 PolarHBondContact NE-OD2 2.86Å; R83-D85 IonicContact NH2-OD1 3.67Å; R83-D85 PolarHBondContact NH2-OD1 2.9Å; R83-D85 IonicContact NH2-OD2 3.27Å; R83-D85 PolarHBondContact NH2-OD2 2.97Å; D85-S94 WeakPolarHBondContact O-CA 3.45Å; D85-S94 WeakPolarHBondContact O-CB 3.04Å; D85-Q95 HydrophobicContact CB-CB 4.27Å; D85-Q95 PolarHBondContact N-O 2.99Å; D85-Q95 PolarHBondContact O-N 2.55Å; D85-P164 WeakPolarHBondContact OD1-CB 3.26Å
86P94.7Very high94Very high40 Ų4045.4 Ų45.426%0.2628%0.284SS..  trans-63.3141.8-175.5-23.535.2000112V84 S94 K163 Y165V84-P86 HydrophobicContact CG1-CG 4.4Å; V84-P86 WeakPolarHBondContact O-CD 3.31Å; P86-S94 WeakPolarHBondContact CA-OG 3.11Å; P86-K163 HydrophobicContact CB-CD 4.18Å; P86-K163 HydrophobicContact CG-CD 3.8Å; P86-K163 HydrophobicContact CG-CG 4.04Å; P86-Y165 HydrophobicContact CG-CD1 4.41Å; P86-Y165 HydrophobicContact CG-CE1 3.93Å
87G93Very high94.4Very high17 Ų1743.4 Ų43.418%0.17528%0.275CS..  trans-57.9160.7171.100000112.8G89 E93 S94G87-G89 PolarHBondContact O-N 3.23Å; G87-G89 VanDerWaalsContact O-N 3.12Å; G87-E93 VanDerWaalsContact CA-O 3.26Å; G87-E93 WeakPolarHBondContact CA-O 3.2Å; G87-S94 PolarHBondContact N-OG 3.11Å
88A90.5Very high94.6Very high109 Ų10943.3 Ų43.390%0.90127%0.274SS*.SBendtrans-63.3-18.2-178.200000113.8
89G86.8Confident94.9Very high28 Ų2843.2 Ų43.229%0.28927%0.273SS..SBendtrans-161.4176.6178.100000112.2G87 A91 C92G87-G89 PolarHBondContact O-N 3.23Å; G87-G89 VanDerWaalsContact O-N 3.12Å; G89-A91 PolarHBondContact O-N 3.41Å; G89-A91 VanDerWaalsContact O-N 3.14Å; G89-C92 WeakPolarHBondContact O-CB 3.49Å; G89-C92 PolarHBondContact O-N 3.29Å
90P81.8Confident94.9Very high136 Ų13643.3 Ų43.388%0.88327%0.274SS*.THydrogen-bonded Turntrans-67.7-13.6-173.327.4-35.6000114.5M47M47-P90 WeakPolarHBondContact CE-O 3.37Å
91A88.4Confident95Very high92 Ų9242.3 Ų42.376%0.7627%0.267SS*.THydrogen-bonded Turntrans-1044.5175.400000112.8G89G89-A91 PolarHBondContact O-N 3.41Å; G89-A91 VanDerWaalsContact O-N 3.14Å
92C91.6Very high95Very high59 Ų5942.4 Ų42.440%0.39927%0.267SS..SBendtrans-100.7138.5177.9-60.10000109.8M47 G89M47-C92 VanDerWaalsContact SD-C 3.56Å; G89-C92 WeakPolarHBondContact O-CB 3.49Å; G89-C92 PolarHBondContact O-N 3.29Å
93E94.6Very high94.9Very high117 Ų11742.4 Ų42.455%0.54727%0.268SS..PPolyproline II helixtrans-59143.3171.7-65.7-176.4169.100110.7S45 M47 G87S45-E93 WeakPolarHBondContact CB-OE2 3.33Å; M47-E93 HydrophobicContact CG-CG 4.48Å; M47-E93 HydrophobicContact SD-CG 4.07Å; G87-E93 VanDerWaalsContact CA-O 3.26Å; G87-E93 WeakPolarHBondContact CA-O 3.2Å
94S96.8Very high94.8Very high26 Ų2641.2 Ų41.218%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-96.7155.9167.3-57.50000109.1S45 G46 D85 P86 G87S45-S94 WeakPolarHBondContact CA-O 3.21Å; G46-S94 PolarHBondContact N-O 2.91Å; G46-S94 PolarHBondContact O-N 2.88Å; D85-S94 WeakPolarHBondContact O-CA 3.45Å; D85-S94 WeakPolarHBondContact O-CB 3.04Å; P86-S94 WeakPolarHBondContact CA-OG 3.11Å; G87-S94 PolarHBondContact N-OG 3.11Å
95Q98.1Very high94.7Very high101 Ų10147.8 Ų47.847%0.47230%0.298SS..EExtended strand (participates in β ladder)trans-99.4133.4172.1-60.7-175.410.500110T43 D85T43-Q95 HydrophobicContact CG2-CB 4.14Å; D85-Q95 HydrophobicContact CB-CB 4.27Å; D85-Q95 PolarHBondContact N-O 2.99Å; D85-Q95 PolarHBondContact O-N 2.55Å
96F98.4Very high94.7Very high14 Ų1448.2 Ų48.26%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-118.7103.3-179.8-60-88.4000108.3T43 V44 C52 R83 V84T43-F96 WeakPolarHBondContact CA-O 3.44Å; V44-F96 PolarHBondContact N-O 2.9Å; V44-F96 WeakPolarHBondContact O-CB 3.39Å; V44-F96 WeakPolarHBondContact O-CD2 3.24Å; V44-F96 PolarHBondContact O-N 2.85Å; C52-F96 HydrophobicContact CB-CB 3.94Å; C52-F96 HydrophobicContact CB-CD2 3.42Å; C52-F96 VanDerWaalsContact CB-CD2 3.42Å; C52-F96 HydrophobicContact CB-CE2 4.06Å; C52-F96 HydrophobicContact CB-CG 3.71Å; R83-F96 WeakPolarHBondContact O-CA 3.36Å; V84-F96 HydrophobicContact CG1-CD1 4.16Å; V84-F96 HydrophobicContact CG1-CE1 3.76Å; V84-F96 HydrophobicContact CG1-CZ 4.41Å; V84-F96 HydrophobicContact CG2-CD1 3.94Å; V84-F96 HydrophobicContact CG2-CE1 4.07Å
97T98.8Very high94.8Very high13 Ų1347.8 Ų47.88%0.0829%0.294CS..EExtended strand (participates in β ladder)trans-94.2103.1174.3-57.40000108.8T42 T43 C82 R83 F119T42-T97 CarbonylContact O-C 3.59Å; T42-T97 WeakPolarHBondContact O-CA 3.26Å; T43-T97 PolarHBondContact OG1-OG1 3.49Å; C82-T97 CarbonylContact C-O 3.59Å; C82-T97 WeakPolarHBondContact CA-O 3.47Å; R83-T97 PolarHBondContact N-O 3.47Å; R83-T97 PolarHBondContact O-N 3.01Å; T97-F119 HydrophobicContact CG2-CZ 4.15Å
98V98.6Very high95Very high0 Ų055.6 Ų55.60%033%0.326CS..EExtended strand (participates in β ladder)trans-87.1138.2178.1-170.40000108.5S41 T42 T53 L60 V80 T81S41-V98 CarbonylContact C-O 3.57Å; S41-V98 VanDerWaalsContact CA-O 3.24Å; S41-V98 WeakPolarHBondContact CA-O 3.33Å; T42-V98 HydrophobicContact CG2-CB 4.38Å; T42-V98 PolarHBondContact N-O 3Å; T42-V98 PolarHBondContact O-N 2.93Å; T53-V98 HydrophobicContact CG2-CG2 4.25Å; L60-V98 HydrophobicContact CD1-CB 4.21Å; L60-V98 HydrophobicContact CD1-CG1 3.93Å; L60-V98 WeakPolarHBondContact CD1-O 3.18Å; V80-V98 HydrophobicContact CG1-CG1 3.69Å; T81-V98 CarbonylContact O-C 3.51Å; T81-V98 WeakPolarHBondContact O-CA 3.22Å
99S98.7Very high95.3Very high0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-148.1142.5-175.5-40.90000111.8M40 S41 T81 E121 R123M40-S99 VanDerWaalsContact O-CA 3.31Å; M40-S99 WeakPolarHBondContact O-CA 3.19Å; S41-S99 WeakPolarHBondContact OG-CB 3.39Å; S41-S99 PolarHBondContact OG-OG 2.93Å; T81-S99 PolarHBondContact N-O 3.09Å; T81-S99 PolarHBondContact O-N 3.49Å; T81-S99 PolarHBondContact OG1-O 2.75Å; S99-E121 PolarHBondContact OG-OE2 2.96Å; S99-E121 VanDerWaalsContact OG-OE2 3.08Å; S99-R123 PolarHBondContact OG-NH2 3.29Å
100F96.9Very high95.8Very high3 Ų356.4 Ų56.41%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-116.2149.9166.178.9-90.4000110.9W39 M40 L60 Y63 I64 V74 I102W39-F100 WeakPolarHBondContact CA-O 3.48Å; W39-F100 VanDerWaalsContact CE3-O 3.28Å; M40-F100 HydrophobicContact CB-CD1 4.03Å; M40-F100 HydrophobicContact CB-CE1 3.43Å; M40-F100 VanDerWaalsContact CB-CE1 3.43Å; M40-F100 HydrophobicContact CB-CE2 4.44Å; M40-F100 HydrophobicContact CB-CZ 3.64Å; M40-F100 HydrophobicContact CG-CE1 3.82Å; M40-F100 HydrophobicContact CG-CZ 4.22Å; M40-F100 PolarHBondContact N-O 3.5Å; M40-F100 VanDerWaalsContact N-O 3.1Å; M40-F100 PolarHBondContact O-N 2.88Å; M40-F100 VanDerWaalsContact O-N 3.09Å; L60-F100 HydrophobicContact CB-CD1 3.93Å; L60-F100 HydrophobicContact CB-CE1 4.18Å; L60-F100 HydrophobicContact CD1-CD1 4.12Å; L60-F100 HydrophobicContact CD2-CD1 4.23Å; L60-F100 HydrophobicContact CD2-CE1 4.25Å; L60-F100 HydrophobicContact CG-CD1 4.31Å; Y63-F100 AromaticContact CD1-CE1 3.86Å; Y63-F100 HydrophobicContact CD1-CE1 3.86Å; Y63-F100 AromaticContact CD1-CZ 3.65Å; Y63-F100 HydrophobicContact CD1-CZ 3.65Å; Y63-F100 HydrophobicContact CE1-CE1 4.3Å; Y63-F100 AromaticContact CE1-CZ 3.69Å; Y63-F100 HydrophobicContact CE1-CZ 3.69Å; I64-F100 HydrophobicContact CD1-CD1 3.98Å; I64-F100 HydrophobicContact CD1-CD2 4.23Å; I64-F100 HydrophobicContact CD1-CE1 3.89Å; I64-F100 HydrophobicContact CD1-CE2 4.22Å; I64-F100 HydrophobicContact CD1-CG 4.14Å; I64-F100 HydrophobicContact CD1-CZ 4.05Å; I64-F100 HydrophobicContact CG1-CD1 4.35Å; I64-F100 HydrophobicContact CG1-CE1 3.74Å; I64-F100 HydrophobicContact CG1-CE2 4.1Å; I64-F100 HydrophobicContact CG1-CZ 3.63Å; V74-F100 HydrophobicContact CG1-CE2 4.21Å; V74-F100 HydrophobicContact CG1-CZ 4.49Å; F100-I102 PolarHBondContact O-N 3.17Å
101Y97.3Very high96.5Very high8 Ų850.6 Ų50.63%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-69.1127.8-179.7176.1-112.9000109.1Q15 P17 T37 W39 T77 D104 Q107Q15-Y101 HydrophobicContact CB-CE1 4.47Å; P17-Y101 HydrophobicContact CB-CD2 3.95Å; P17-Y101 HydrophobicContact CB-CE2 4.13Å; P17-Y101 HydrophobicContact CB-CG 4.48Å; T37-Y101 HydrophobicContact CG2-CE2 3.77Å; W39-Y101 AromaticContact CE2-CD2 3.99Å; W39-Y101 HydrophobicContact CZ2-CD2 4Å; W39-Y101 HydrophobicContact CZ2-CG 4.43Å; T77-Y101 WeakPolarHBondContact CB-O 3.46Å; T77-Y101 HydrophobicContact CG2-CD1 4.05Å; T77-Y101 WeakPolarHBondContact CG2-O 3.5Å; T77-Y101 PolarHBondContact OG1-N 2.69Å; T77-Y101 PolarHBondContact OG1-O 2.62Å; Y101-D104 WeakPolarHBondContact CE1-OD1 3.21Å; Y101-D104 PolarHBondContact OH-OD1 3.28Å; Y101-Q107 VanDerWaalsContact CE2-NE2 3.27Å
102I97.8Very high97Very high2 Ų251.4 Ų51.41%0.0126%0.26CS..PPolyproline II helixtrans-71.5133.6175.7-67.1167.4000107.8R38 M40 F100 L106 Q107 P110 L120R38-I102 HydrophobicContact CB-CD1 4.01Å; R38-I102 PolarHBondContact O-N 3.3Å; M40-I102 HydrophobicContact CB-CD1 4.34Å; M40-I102 HydrophobicContact CB-CG1 4.21Å; M40-I102 HydrophobicContact CE-CD1 4.45Å; F100-I102 PolarHBondContact O-N 3.17Å; I102-L106 HydrophobicContact CG2-CB 3.59Å; I102-Q107 PolarHBondContact O-NE2 2.87Å; I102-P110 HydrophobicContact CD1-CB 3.9Å; I102-P110 HydrophobicContact CD1-CG 4.07Å; I102-P110 HydrophobicContact CG2-CB 4.19Å; I102-L120 HydrophobicContact CD1-CD1 3.39Å
103P96.8Very high97.3Very high3 Ų349.8 Ų49.82%0.01925%0.249CC..PPolyproline II helixtrans-49.5148176.2-32.137.6000113.4V74 E75 T77 E105 L106 Q107V74-P103 HydrophobicContact CG1-CG 3.79Å; E75-P103 HydrophobicContact CB-CG 4.22Å; E75-P103 WeakPolarHBondContact O-CG 3.44Å; T77-P103 HydrophobicContact CG2-CG 3.84Å; P103-E105 PolarHBondContact O-N 3Å; P103-E105 VanDerWaalsContact O-N 3.11Å; P103-L106 PolarHBondContact O-N 3.01Å; P103-Q107 PolarHBondContact O-N 3.12Å
104D96.1Very high97.5Very high55 Ų5547.1 Ų47.129%0.29424%0.24SC..G310 helixtrans-53.8-38.1-174.8-81.312.8000111.3K18 Y101 L106 Q107K18-D104 IonicContact NZ-OD2 3.77Å; K18-D104 PolarHBondContact NZ-OD2 2.91Å; Y101-D104 WeakPolarHBondContact CE1-OD1 3.21Å; Y101-D104 PolarHBondContact OH-OD1 3.28Å; D104-L106 PolarHBondContact O-N 3.14Å; D104-Q107 PolarHBondContact O-N 2.68Å
105E96.3Very high97.5Very high143 Ų14347.6 Ų47.667%0.66824%0.241SC*.G310 helixtrans-70.1-17.5-179-56.375.1-161.200113.5Q15 P103Q15-E105 PolarHBondContact NE2-OE1 2.73Å; Q15-E105 PolarHBondContact NE2-OE2 2.78Å; Q15-E105 VanDerWaalsContact NE2-OE2 3.09Å; Q15-E105 PolarHBondContact OE1-OE2 2.7Å; P103-E105 PolarHBondContact O-N 3Å; P103-E105 VanDerWaalsContact O-N 3.11Å
106L97.1Very high97.5Very high46 Ų4648.7 Ų48.724%0.24126%0.257CS..G310 helixtrans-113-0.4-176.6-64.4178.5000113.2V74 I102 P103 D104 E108 N109 P110V74-L106 HydrophobicContact CB-CD1 4.42Å; V74-L106 HydrophobicContact CG1-CD1 3.88Å; V74-L106 HydrophobicContact CG2-CD1 4Å; I102-L106 HydrophobicContact CG2-CB 3.59Å; P103-L106 PolarHBondContact O-N 3.01Å; D104-L106 PolarHBondContact O-N 3.14Å; L106-E108 VanDerWaalsContact C-N 3.26Å; L106-E108 PolarHBondContact O-N 2.9Å; L106-N109 CarbonylContact O-C 3.55Å; L106-N109 PolarHBondContact O-N 2.84Å; L106-P110 WeakPolarHBondContact O-CD 3.41Å; L106-P110 VanDerWaalsContact O-N 3.12Å
107Q96.9Very high97.5Very high31 Ų3151.7 Ų51.715%0.14527%0.273CS..SBendtrans-55.8-38.6-179.1-80.2-71.4-4000112.7R38 Y101 I102 P103 D104R38-Q107 WeakPolarHBondContact CD-O 3.26Å; R38-Q107 PolarHBondContact NH1-O 3.46Å; R38-Q107 PolarHBondContact O-NE2 2.66Å; Y101-Q107 VanDerWaalsContact CE2-NE2 3.27Å; I102-Q107 PolarHBondContact O-NE2 2.87Å; P103-Q107 PolarHBondContact O-N 3.12Å; D104-Q107 PolarHBondContact O-N 2.68Å
108E96.8Very high97.5Very high181 Ų18151.4 Ų51.485%0.84627%0.271SS*.SBendtrans-74.4-41.9-178.6-66.9-173.5175.400113.1R38 L106R38-E108 PolarHBondContact NH1-O 3.44Å; L106-E108 VanDerWaalsContact C-N 3.26Å; L106-E108 PolarHBondContact O-N 2.9Å
109N96.6Very high97.5Very high138 Ų13855.2 Ų55.274%0.73829%0.288SS*.SBendtrans-142.275-173.5-17133.6000111.7L106L106-N109 CarbonylContact O-C 3.55Å; L106-N109 PolarHBondContact O-N 2.84Å
110P97.1Very high97.5Very high17 Ų1758.4 Ų58.411%0.1131%0.305CS..PPolyproline II helixtrans-70.5145.9177.727.9-32.5000111.2I102 L106 E112 L120I102-P110 HydrophobicContact CD1-CB 3.9Å; I102-P110 HydrophobicContact CD1-CG 4.07Å; I102-P110 HydrophobicContact CG2-CB 4.19Å; L106-P110 WeakPolarHBondContact O-CD 3.41Å; L106-P110 VanDerWaalsContact O-N 3.12Å; P110-E112 PolarHBondContact O-N 2.94Å; P110-L120 HydrophobicContact CG-CD1 3.69Å; P110-L120 HydrophobicContact CG-CD2 4.09Å
111P97.8Very high97.5Very high14 Ų1459.7 Ų59.79%0.09131%0.311CS..PPolyproline II helixtrans-52.4133.2172.7-27.834.7000112.3Y63 N68 V74Y63-P111 WeakPolarHBondContact CE2-O 3.45Å; Y63-P111 WeakPolarHBondContact OH-CD 3.48Å; Y63-P111 PolarHBondContact OH-O 3.06Å; N68-P111 HydrophobicContact CB-CB 3.76Å; V74-P111 HydrophobicContact CG2-CG 4.26Å
112E98Very high97.6Very high109 Ų10964.3 Ų64.351%0.50934%0.336SS..PPolyproline II helixtrans-70.1130.3-179.7-165.6-176.7154.500110.5N68 K69 P110N68-E112 CarbonylContact C-O 3.57Å; N68-E112 VanDerWaalsContact CA-O 3.27Å; N68-E112 WeakPolarHBondContact CA-O 3.24Å; N68-E112 VanDerWaalsContact CB-O 3.25Å; N68-E112 WeakPolarHBondContact CB-O 3.44Å; K69-E112 HydrophobicContact CB-CB 4.42Å; K69-E112 HydrophobicContact CD-CB 3.97Å; K69-E112 HydrophobicContact CD-CG 4.24Å; K69-E112 WeakPolarHBondContact CD-OE2 3.31Å; K69-E112 WeakPolarHBondContact CE-OE1 3.15Å; K69-E112 VanDerWaalsContact CE-OE2 3.22Å; K69-E112 WeakPolarHBondContact CE-OE2 3.37Å; K69-E112 HydrophobicContact CG-CB 4.09Å; K69-E112 PolarHBondContact N-O 3.27Å; K69-E112 IonicContact NZ-OE1 3.96Å; K69-E112 PolarHBondContact NZ-OE1 3.37Å; K69-E112 IonicContact NZ-OE2 2.57Å; K69-E112 PolarHBondContact NZ-OE2 2.77Å; P110-E112 PolarHBondContact O-N 2.94Å
113P98.1Very high97.5Very high25 Ų2564.9 Ų64.916%0.16234%0.338CS..BIsolated β-bridgetrans-64.4150.1177.926.5-33.4000111.5M40 Y63 V118M40-P113 HydrophobicContact SD-CG 4.22Å; Y63-P113 HydrophobicContact CD2-CB 3.89Å; Y63-P113 HydrophobicContact CE2-CB 4.1Å; P113-V118 HydrophobicContact CB-CB 3.95Å; P113-V118 HydrophobicContact CB-CG1 3.74Å; P113-V118 HydrophobicContact CG-CG1 4.27Å; P113-V118 WeakPolarHBondContact CG-O 3.33Å
114T98Very high97.5Very high61 Ų6173.2 Ų73.237%0.37437%0.374SS..SBendtrans-101.7-13.5171.947.20000113.2N67 K69N67-T114 PolarHBondContact O-OG1 2.85Å; N67-T114 PolarHBondContact OD1-OG1 3.1Å; K69-T114 HydrophobicContact CG-CG2 3.85Å
115D97.6Very high97.6Very high35 Ų3576.2 Ų76.219%0.18739%0.386CS..SBendtrans-84.2122.2173.2-171.5-31.5000108.6D117 V118D115-D117 PolarHBondContact O-N 2.74Å; D115-D117 PolarHBondContact OD1-N 2.95Å; D115-V118 HydrophobicContact CB-CB 4.19Å; D115-V118 HydrophobicContact CB-CG2 3.87Å; D115-V118 PolarHBondContact O-N 2.88Å; D115-V118 VanDerWaalsContact O-N 3.11Å
116P97.7Very high97.6Very high125 Ų12571 Ų7181%0.81236%0.362SS*.THydrogen-bonded Turntrans-66.3-18.5-177.228.5-36.3000113.7V118P116-V118 VanDerWaalsContact C-N 3.29Å
117D98Very high97.6Very high76 Ų7670.2 Ų70.241%0.40636%0.359SS..THydrogen-bonded Turntrans-86.3-2.3177.1-68.7-21.3000112.7T42 R59 D115T42-D117 WeakPolarHBondContact CA-O 3.36Å; T42-D117 WeakPolarHBondContact CB-O 3.47Å; T42-D117 PolarHBondContact OG1-O 3.09Å; R59-D117 IonicContact CZ-OD2 3.13Å; R59-D117 IonicContact NE-OD2 3.94Å; R59-D117 IonicContact NH1-OD2 3.33Å; R59-D117 PolarHBondContact NH1-OD2 2.87Å; R59-D117 IonicContact NH2-OD2 2.74Å; R59-D117 PolarHBondContact NH2-OD2 2.86Å; D115-D117 PolarHBondContact O-N 2.74Å; D115-D117 PolarHBondContact OD1-N 2.95Å
118V98.7Very high97.6Very high7 Ų768.8 Ų68.84%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-109.3127.8179.4177.70000108.9M40 S41 R59 L60 Y63 P113 D115 P116M40-V118 HydrophobicContact CG-CG1 3.68Å; M40-V118 HydrophobicContact SD-CG1 3.45Å; M40-V118 WeakPolarHBondContact SD-CG1 3.35Å; S41-V118 CarbonylContact O-C 3.49Å; S41-V118 WeakPolarHBondContact O-CA 3.3Å; R59-V118 HydrophobicContact CB-CG2 4.1Å; L60-V118 HydrophobicContact CD2-CG1 3.99Å; L60-V118 HydrophobicContact CD2-CG2 4.5Å; Y63-V118 HydrophobicContact CD2-CG1 4.46Å; P113-V118 HydrophobicContact CB-CB 3.95Å; P113-V118 HydrophobicContact CB-CG1 3.74Å; P113-V118 HydrophobicContact CG-CG1 4.27Å; P113-V118 WeakPolarHBondContact CG-O 3.33Å; D115-V118 HydrophobicContact CB-CB 4.19Å; D115-V118 HydrophobicContact CB-CG2 3.87Å; D115-V118 PolarHBondContact O-N 2.88Å; D115-V118 VanDerWaalsContact O-N 3.11Å; P116-V118 VanDerWaalsContact C-N 3.29Å
119F98.7Very high97.7Very high81 Ų8160.4 Ų60.436%0.35531%0.313SS..EExtended strand (participates in β ladder)trans-141.7154-173.260.4-91.1000112.4M40 S41 T97 E121M40-F119 VanDerWaalsContact SD-C 3.51Å; S41-F119 PolarHBondContact N-O 3.34Å; S41-F119 PolarHBondContact O-N 3.48Å; T97-F119 HydrophobicContact CG2-CZ 4.15Å; F119-E121 HydrophobicContact CE2-CB 4.28Å
120L98.6Very high97.7Very high67 Ų6753.9 Ų53.935%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-74.9127.4171.9-174.864.2000109.7R38 M40 I102 P110R38-L120 HydrophobicContact CB-CD1 4.06Å; M40-L120 HydrophobicContact CE-CB 4.47Å; M40-L120 HydrophobicContact CE-CD1 4.25Å; I102-L120 HydrophobicContact CD1-CD1 3.39Å; P110-L120 HydrophobicContact CG-CD1 3.69Å; P110-L120 HydrophobicContact CG-CD2 4.09Å
121E98.5Very high97.7Very high30 Ų3055.4 Ų55.414%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-112.3114176-177.2-168.2169.600109.7R38 W39 S41 S99 F119 R123R38-E121 WeakPolarHBondContact CA-O 3.37Å; W39-E121 HydrophobicContact CB-CB 4.32Å; W39-E121 PolarHBondContact N-O 2.83Å; W39-E121 PolarHBondContact O-N 2.84Å; S41-E121 WeakPolarHBondContact OG-CB 3.49Å; S41-E121 PolarHBondContact OG-OE2 2.83Å; S99-E121 PolarHBondContact OG-OE2 2.96Å; S99-E121 VanDerWaalsContact OG-OE2 3.08Å; F119-E121 HydrophobicContact CE2-CB 4.28Å; E121-R123 VanDerWaalsContact CD-NE 3.33Å; E121-R123 HydrophobicContact CG-CG 4.07Å; E121-R123 PolarHBondContact O-N 2.96Å; E121-R123 WeakPolarHBondContact OE1-CG 3.4Å; E121-R123 IonicContact OE1-CZ 3.27Å; E121-R123 IonicContact OE1-NE 2.82Å; E121-R123 PolarHBondContact OE1-NE 2.91Å; E121-R123 IonicContact OE1-NH2 3Å; E121-R123 IonicContact OE2-CZ 2.69Å; E121-R123 IonicContact OE2-NE 2.96Å; E121-R123 PolarHBondContact OE2-NE 2.9Å; E121-R123 IonicContact OE2-NH2 3.17Å; E121-R123 PolarHBondContact OE2-NH2 3.41Å
122D97.9Very high97.6Very high105 Ų10557.3 Ų57.356%0.56129%0.293SS*.EExtended strand (participates in β ladder)trans-82.7103.7167.9-66.8-75.4000109.6R38R38-D122 WeakPolarHBondContact CD-OD1 3.45Å; R38-D122 VanDerWaalsContact CG-OD1 3.28Å; R38-D122 WeakPolarHBondContact CG-OD1 3.35Å; R38-D122 IonicContact CZ-OD1 3.02Å; R38-D122 IonicContact NE-OD1 3.45Å; R38-D122 PolarHBondContact NE-OD1 3.01Å
123R97.2Very high97.5Very high14 Ų1453.1 Ų53.15%0.05327%0.273CS..EExtended strand (participates in β ladder)trans-84.7118171.5-66.6-172.1-179.3167.11.3109P36 T37 W39 T81 S99 E121 F126P36-R123 CarbonylContact C-O 3.52Å; P36-R123 VanDerWaalsContact CA-O 3.25Å; P36-R123 WeakPolarHBondContact CA-O 3.1Å; T37-R123 PolarHBondContact N-O 2.79Å; T37-R123 PolarHBondContact O-N 3.36Å; W39-R123 HydrophobicContact CG-CG 4.46Å; T81-R123 PolarHBondContact OG1-NH1 2.88Å; T81-R123 PolarHBondContact OG1-NH2 2.8Å; S99-R123 PolarHBondContact OG-NH2 3.29Å; E121-R123 VanDerWaalsContact CD-NE 3.33Å; E121-R123 HydrophobicContact CG-CG 4.07Å; E121-R123 PolarHBondContact O-N 2.96Å; E121-R123 WeakPolarHBondContact OE1-CG 3.4Å; E121-R123 IonicContact OE1-CZ 3.27Å; E121-R123 IonicContact OE1-NE 2.82Å; E121-R123 PolarHBondContact OE1-NE 2.91Å; E121-R123 IonicContact OE1-NH2 3Å; E121-R123 IonicContact OE2-CZ 2.69Å; E121-R123 IonicContact OE2-NE 2.96Å; E121-R123 PolarHBondContact OE2-NE 2.9Å; E121-R123 IonicContact OE2-NH2 3.17Å; E121-R123 PolarHBondContact OE2-NH2 3.41Å; R123-F126 HydrophobicContact CB-CE1 4.49Å
124K96.9Very high97.1Very high177 Ų17754 Ų5477%0.7729%0.286SS*.PPolyproline II helixtrans-66168.8169.8-63.4-175.3-179.7-179.40110.2F126K124-F126 WeakPolarHBondContact O-CD1 3.37Å; K124-F126 PolarHBondContact O-N 2.9Å
125E96.9Very high96.5Very high118 Ų11852.9 Ų52.955%0.55129%0.286SS*.PPolyproline II helixtrans-56.6135.4170.9-174.8165.68900110.6T33 Y34 H35 P36T33-E125 HydrophobicContact CG2-CG 4.02Å; Y34-E125 WeakPolarHBondContact O-CA 3.49Å; Y34-E125 WeakPolarHBondContact O-CG 3.43Å; H35-E125 IonicContact ND1-OE2 3.4Å; P36-E125 HydrophobicContact CG-CB 4.09Å
126F96.6Very high95.8Very high34 Ų3456.9 Ų56.915%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-148.9150.3174.767.3-89.9000111Y34 R123 K124 A128 W184 L186Y34-F126 HydrophobicContact CD2-CD2 4.2Å; Y34-F126 AromaticContact CD2-CE2 3.45Å; Y34-F126 HydrophobicContact CD2-CE2 3.45Å; Y34-F126 VanDerWaalsContact CD2-CE2 3.45Å; Y34-F126 AromaticContact CD2-CZ 3.67Å; Y34-F126 HydrophobicContact CD2-CZ 3.67Å; Y34-F126 HydrophobicContact CE2-CE2 4.19Å; Y34-F126 HydrophobicContact CE2-CZ 4.47Å; Y34-F126 HydrophobicContact CG-CE1 4.34Å; Y34-F126 HydrophobicContact CG-CE2 4.01Å; Y34-F126 AromaticContact CG-CZ 3.76Å; Y34-F126 HydrophobicContact CG-CZ 3.76Å; Y34-F126 PolarHBondContact N-O 2.91Å; Y34-F126 PolarHBondContact O-N 3.2Å; R123-F126 HydrophobicContact CB-CE1 4.49Å; K124-F126 WeakPolarHBondContact O-CD1 3.37Å; K124-F126 PolarHBondContact O-N 2.9Å; F126-A128 HydrophobicContact CD2-CB 4.19Å; F126-A128 HydrophobicContact CE2-CB 4.05Å; F126-W184 HydrophobicContact CE2-CE3 4.42Å; F126-W184 HydrophobicContact CE2-CZ3 4.44Å; F126-W184 HydrophobicContact CZ-CZ3 4.23Å; F126-L186 HydrophobicContact CD2-CD2 3.56Å; F126-L186 HydrophobicContact CE2-CD2 4.03Å; F126-L186 HydrophobicContact CG-CD2 4.35Å
127T97Very high95.2Very high30 Ų3052.7 Ų52.718%0.18428%0.276CS..EExtended strand (participates in β ladder)trans-103.3133.2171.6-50.90000109.6I31 R32 T33 K187I31-T127 HydrophobicContact CG2-CG2 3.69Å; R32-T127 CarbonylContact O-C 3.6Å; R32-T127 WeakPolarHBondContact O-CA 3.37Å; T33-T127 WeakPolarHBondContact OG1-CB 3.39Å; T33-T127 WeakPolarHBondContact OG1-CG2 3.48Å; T33-T127 PolarHBondContact OG1-OG1 2.93Å; T127-K187 HydrophobicContact CG2-CB 4.01Å; T127-K187 HydrophobicContact CG2-CD 3.65Å; T127-K187 PolarHBondContact O-N 3Å
128A97.4Very high94.9Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-125.4141.2178.900000111.4R32 Y34 F126 V130 W184 V185 L186R32-A128 PolarHBondContact N-O 2.98Å; R32-A128 PolarHBondContact O-N 3.27Å; Y34-A128 HydrophobicContact CE2-CB 4.38Å; F126-A128 HydrophobicContact CD2-CB 4.19Å; F126-A128 HydrophobicContact CE2-CB 4.05Å; A128-V130 HydrophobicContact CB-CG2 4.17Å; A128-W184 HydrophobicContact CB-CB 4.2Å; A128-V185 WeakPolarHBondContact CA-O 3.22Å; A128-L186 HydrophobicContact CB-CD2 4.18Å
129Y97.6Very high94.5Very high6 Ų655.6 Ų55.62%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-83.4124.6160.8-55-72000108.3Y29 E30 I31 L153 V158 E159 F160 W184 V185 K187Y29-Y129 AromaticContact CD2-CD1 3.89Å; Y29-Y129 HydrophobicContact CD2-CD1 3.89Å; Y29-Y129 AromaticContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CE1 4.19Å; E30-Y129 CarbonylContact O-C 3.59Å; E30-Y129 WeakPolarHBondContact O-CA 3.32Å; I31-Y129 HydrophobicContact CD1-CD1 4.4Å; I31-Y129 HydrophobicContact CD1-CE1 4.05Å; I31-Y129 HydrophobicContact CG1-CD1 3.88Å; I31-Y129 HydrophobicContact CG1-CE1 4.02Å; Y129-L153 HydrophobicContact CD1-CD2 3.57Å; Y129-L153 HydrophobicContact CD2-CD1 3.63Å; Y129-L153 HydrophobicContact CD2-CD2 3.79Å; Y129-L153 HydrophobicContact CD2-CG 4.37Å; Y129-L153 HydrophobicContact CE1-CD2 4.06Å; Y129-L153 HydrophobicContact CE2-CD1 4.31Å; Y129-L153 HydrophobicContact CE2-CD2 4.23Å; Y129-L153 HydrophobicContact CG-CD1 3.93Å; Y129-L153 HydrophobicContact CG-CD2 3.42Å; Y129-L153 VanDerWaalsContact CG-CD2 3.42Å; Y129-L153 HydrophobicContact CG-CG 4.33Å; Y129-V158 HydrophobicContact CE1-CG2 4.09Å; Y129-V158 HydrophobicContact CE2-CG2 4.42Å; Y129-E159 WeakPolarHBondContact CE2-O 3.47Å; Y129-E159 PolarHBondContact OH-O 2.92Å; Y129-F160 HydrophobicContact CD2-CB 4.13Å; Y129-F160 HydrophobicContact CE2-CB 3.81Å; Y129-W184 VanDerWaalsContact O-CA 3.28Å; Y129-W184 WeakPolarHBondContact O-CA 3.45Å; Y129-V185 PolarHBondContact N-O 3.42Å; Y129-V185 PolarHBondContact O-N 2.93Å; Y129-K187 HydrophobicContact CE2-CB 3.83Å; Y129-K187 HydrophobicContact CE2-CG 4.18Å; Y129-K187 WeakPolarHBondContact OH-CG 3.44Å
130V97.7Very high94.2Very high0 Ų056.7 Ų56.70%030%0.299CS..EExtended strand (participates in β ladder)trans-120123.3-171.9178.80000110.6Y29 E30 R32 A128 E182 W184Y29-V130 CarbonylContact C-O 3.56Å; Y29-V130 VanDerWaalsContact CA-O 3.32Å; Y29-V130 WeakPolarHBondContact CA-O 3.31Å; Y29-V130 WeakPolarHBondContact CB-O 3.27Å; E30-V130 HydrophobicContact CB-CB 4.43Å; E30-V130 PolarHBondContact N-O 3.41Å; E30-V130 PolarHBondContact O-N 3.22Å; R32-V130 HydrophobicContact CB-CG2 4.39Å; R32-V130 HydrophobicContact CG-CG2 4.19Å; A128-V130 HydrophobicContact CB-CG2 4.17Å; V130-E182 HydrophobicContact CG1-CB 4.01Å; V130-E182 HydrophobicContact CG1-CG 4.01Å; V130-W184 HydrophobicContact CG2-CB 4.42Å; V130-W184 HydrophobicContact CG2-CD2 4.41Å; V130-W184 HydrophobicContact CG2-CG 3.96Å
131R96.9Very high94Very high50 Ų5056.2 Ų56.219%0.18930%0.295CS..EExtended strand (participates in β ladder)trans-109.5123.2170.8179.4161.7179.862.910.5110.6D28 E145 L149 E182 V183D28-R131 PolarHBondContact O-NH1 3.4Å; R131-E145 IonicContact CZ-OE2 2.78Å; R131-E145 VanDerWaalsContact CZ-OE2 3.27Å; R131-E145 IonicContact NE-OE2 2.68Å; R131-E145 PolarHBondContact NE-OE2 3.49Å; R131-E145 IonicContact NH2-OE2 2.7Å; R131-E145 PolarHBondContact NH2-OE2 2.9Å; R131-L149 HydrophobicContact CB-CB 4.01Å; R131-L149 HydrophobicContact CB-CD1 4.16Å; R131-L149 HydrophobicContact CB-CD2 4.03Å; R131-L149 HydrophobicContact CB-CG 4.29Å; R131-E182 CarbonylContact O-C 3.55Å; R131-E182 WeakPolarHBondContact O-CA 3.48Å; R131-V183 HydrophobicContact CB-CG2 3.87Å; R131-V183 HydrophobicContact CG-CG2 4.49Å; R131-V183 PolarHBondContact N-O 2.98Å; R131-V183 PolarHBondContact O-N 3.38Å
132T95.8Very high93.8Very high54 Ų5455.9 Ų55.933%0.33129%0.293SS..EExtended strand (participates in β ladder)trans-98.7137.8179.9-55.40000110.9R180 E182T132-R180 HydrophobicContact CG2-CG 3.92Å; T132-E182 HydrophobicContact CG2-CG 4.2Å; T132-E182 PolarHBondContact OG1-OE1 2.78Å
133Y94.8Very high93.7Very high21 Ų2157.3 Ų57.38%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-146.6158176.964.7-81.2000111.8S137 M141 K142 E145 N181 V183Y133-S137 PolarHBondContact OH-OG 2.75Å; Y133-M141 HydrophobicContact CD2-CE 4.25Å; Y133-M141 HydrophobicContact CE2-CB 4.5Å; Y133-M141 HydrophobicContact CE2-CE 4.41Å; Y133-K142 WeakPolarHBondContact OH-CG 3.41Å; Y133-E145 HydrophobicContact CD1-CB 3.9Å; Y133-E145 HydrophobicContact CD1-CG 3.75Å; Y133-E145 HydrophobicContact CD2-CG 3.95Å; Y133-E145 HydrophobicContact CE1-CB 4.09Å; Y133-E145 HydrophobicContact CE1-CG 4.21Å; Y133-E145 HydrophobicContact CE2-CG 4.37Å; Y133-E145 HydrophobicContact CG-CB 4.3Å; Y133-E145 HydrophobicContact CG-CG 3.62Å; Y133-N181 HydrophobicContact CD1-CB 4.34Å; Y133-N181 WeakPolarHBondContact CD1-O 3.4Å; Y133-N181 HydrophobicContact CD2-CB 4.17Å; Y133-N181 HydrophobicContact CE1-CB 3.78Å; Y133-N181 HydrophobicContact CE2-CB 3.62Å; Y133-N181 HydrophobicContact CG-CB 4.5Å; Y133-N181 PolarHBondContact N-O 2.96Å; Y133-N181 PolarHBondContact O-N 3.2Å; Y133-N181 VanDerWaalsContact O-O 3.12Å; Y133-V183 HydrophobicContact CE1-CG1 4.08Å
134G90.9Very high93.7Very high43 Ų4361.3 Ų61.344%0.44331%0.31SS..EExtended strand (participates in β ladder)trans-99.8178.7-178.800000114.2R179G134-R179 WeakPolarHBondContact CA-O 3.37Å
135G85.1Confident93.7Very high37 Ų3753.7 Ų53.738%0.38128%0.277SS..SBendtrans89.2-175.8173.100000115S137 N181G135-S137 PolarHBondContact O-N 3.11Å; G135-N181 PolarHBondContact O-ND2 3.5Å
136F82.4Confident93.8Very high119 Ų11949 Ų4952%0.52226%0.256SS..  trans-78.799.1176.5-73.6-81.8000109.9L176F136-L176 HydrophobicContact CE1-CD2 4.39Å; F136-L176 WeakPolarHBondContact CE2-O 3.33Å; F136-L176 HydrophobicContact CZ-CB 4.36Å; F136-L176 HydrophobicContact CZ-CD2 4.07Å; F136-L176 WeakPolarHBondContact CZ-O 3.31Å
137S86.5Confident93.8Very high38 Ų3851 Ų5127%0.26627%0.268SS..  trans-64.3136.3177.7-172.30000111.4Y133 G135 K142Y133-S137 PolarHBondContact OH-OG 2.75Å; G135-S137 PolarHBondContact O-N 3.11Å; S137-K142 VanDerWaalsContact OG-CG 3.22Å; S137-K142 WeakPolarHBondContact OG-CG 3.41Å
138N90.3Very high93.8Very high65 Ų6552.8 Ų52.835%0.34827%0.273SS..  trans-140.5174.6170.461.838.7000108.5D50 N140 M141 K142D50-N138 WeakPolarHBondContact OD2-CA 3.41Å; N138-N140 VanDerWaalsContact C-N 3.28Å; N138-N140 PolarHBondContact O-N 2.9Å; N138-N140 WeakPolarHBondContact OD1-CB 3.22Å; N138-N140 PolarHBondContact OD1-N 3.13Å; N138-M141 PolarHBondContact O-N 3.05Å; N138-M141 PolarHBondContact OD1-N 2.99Å; N138-K142 WeakPolarHBondContact O-CG 3.41Å; N138-K142 PolarHBondContact O-N 3.22Å
139E90.3Very high93.8Very high78 Ų7852.8 Ų52.836%0.36427%0.273SS..Hα-helixtrans-49.2-44.3178.4-80.2174-158.300114.8G49 D50 K142 R143G49-E139 WeakPolarHBondContact CA-OE1 3.39Å; G49-E139 PolarHBondContact N-OE1 2.67Å; D50-E139 HydrophobicContact CB-CG 4.35Å; D50-E139 PolarHBondContact N-OE1 3.38Å; D50-E139 PolarHBondContact OD2-N 3.24Å; E139-K142 PolarHBondContact O-N 3.02Å; E139-R143 WeakPolarHBondContact O-CB 3.32Å; E139-R143 PolarHBondContact O-N 3.23Å
140N92.8Very high93.8Very high105 Ų10553.2 Ų53.256%0.56128%0.276SS*.Hα-helixtrans-65.2-45.5-179.6-76.2-38.3000111.9N138 R143 E144N138-N140 VanDerWaalsContact C-N 3.28Å; N138-N140 PolarHBondContact O-N 2.9Å; N138-N140 WeakPolarHBondContact OD1-CB 3.22Å; N138-N140 PolarHBondContact OD1-N 3.13Å; N140-R143 PolarHBondContact O-N 2.8Å; N140-E144 WeakPolarHBondContact O-CB 3.36Å; N140-E144 PolarHBondContact O-N 3.07Å
141M94.4Very high93.7Very high56 Ų5659.3 Ų59.328%0.27630%0.304SS..Hα-helixtrans-65.2-42.7177.4-70.7-176.567.300111.8Y133 N138 R143 E144 E145Y133-M141 HydrophobicContact CD2-CE 4.25Å; Y133-M141 HydrophobicContact CE2-CB 4.5Å; Y133-M141 HydrophobicContact CE2-CE 4.41Å; N138-M141 PolarHBondContact O-N 3.05Å; N138-M141 PolarHBondContact OD1-N 2.99Å; M141-R143 VanDerWaalsContact C-N 3.3Å; M141-R143 PolarHBondContact O-N 3Å; M141-E144 PolarHBondContact O-N 3.17Å; M141-E145 WeakPolarHBondContact O-CG 3.15Å; M141-E145 PolarHBondContact O-N 3.35Å
142K95.3Very high93.6Very high23 Ų2357.5 Ų57.510%0.130%0.299CS..Hα-helixtrans-58.2-45.2175.8-70.7177.6-54.9-178.10110.9D50 Y133 S137 N138 E139 L146 T167D50-K142 WeakPolarHBondContact OD1-CE 3.33Å; D50-K142 IonicContact OD1-NZ 2.77Å; D50-K142 PolarHBondContact OD1-NZ 3.46Å; Y133-K142 WeakPolarHBondContact OH-CG 3.41Å; S137-K142 VanDerWaalsContact OG-CG 3.22Å; S137-K142 WeakPolarHBondContact OG-CG 3.41Å; N138-K142 WeakPolarHBondContact O-CG 3.41Å; N138-K142 PolarHBondContact O-N 3.22Å; E139-K142 PolarHBondContact O-N 3.02Å; K142-L146 VanDerWaalsContact O-CB 3.26Å; K142-L146 WeakPolarHBondContact O-CB 3.37Å; K142-L146 PolarHBondContact O-N 2.77Å; K142-T167 HydrophobicContact CB-CG2 4.29Å; K142-T167 HydrophobicContact CD-CG2 3.74Å; K142-T167 HydrophobicContact CG-CG2 4.11Å
143R94.9Very high93.6Very high136 Ų13654.9 Ų54.951%0.51328%0.283SS..Hα-helixtrans-64.6-44.9177.7-176.4-17959.973.92.7111.9E139 N140 M141 L146 L147E139-R143 WeakPolarHBondContact O-CB 3.32Å; E139-R143 PolarHBondContact O-N 3.23Å; N140-R143 PolarHBondContact O-N 2.8Å; M141-R143 VanDerWaalsContact C-N 3.3Å; M141-R143 PolarHBondContact O-N 3Å; R143-L146 PolarHBondContact O-N 2.99Å; R143-L147 HydrophobicContact CG-CD1 4.31Å; R143-L147 VanDerWaalsContact O-CG 3.31Å; R143-L147 WeakPolarHBondContact O-CG 3.16Å; R143-L147 PolarHBondContact O-N 2.73Å
144E97.1Very high93.6Very high97 Ų9760.6 Ų60.645%0.45331%0.308SS..Hα-helixtrans-61.4-47.8178.8-173.1-174.7155.800111.7N140 M141 L146 L147 K148N140-E144 WeakPolarHBondContact O-CB 3.36Å; N140-E144 PolarHBondContact O-N 3.07Å; M141-E144 PolarHBondContact O-N 3.17Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.25Å; E144-L147 PolarHBondContact O-N 2.81Å; E144-K148 WeakPolarHBondContact O-CG 3.2Å; E144-K148 PolarHBondContact O-N 2.71Å; E144-K148 VanDerWaalsContact OE1-CE 3.24Å; E144-K148 WeakPolarHBondContact OE1-CE 3.49Å; E144-K148 IonicContact OE1-NZ 3.49Å; E144-K148 PolarHBondContact OE1-NZ 3.48Å
145E97.8Very high93.8Very high18 Ų1865.5 Ų65.58%0.08431%0.313CS..Hα-helixtrans-69.3-32.5179.6-65.5-60.1138.500112.3R131 Y133 M141 K148 L149 V183R131-E145 IonicContact CZ-OE2 2.78Å; R131-E145 VanDerWaalsContact CZ-OE2 3.27Å; R131-E145 IonicContact NE-OE2 2.68Å; R131-E145 PolarHBondContact NE-OE2 3.49Å; R131-E145 IonicContact NH2-OE2 2.7Å; R131-E145 PolarHBondContact NH2-OE2 2.9Å; Y133-E145 HydrophobicContact CD1-CB 3.9Å; Y133-E145 HydrophobicContact CD1-CG 3.75Å; Y133-E145 HydrophobicContact CD2-CG 3.95Å; Y133-E145 HydrophobicContact CE1-CB 4.09Å; Y133-E145 HydrophobicContact CE1-CG 4.21Å; Y133-E145 HydrophobicContact CE2-CG 4.37Å; Y133-E145 HydrophobicContact CG-CB 4.3Å; Y133-E145 HydrophobicContact CG-CG 3.62Å; M141-E145 WeakPolarHBondContact O-CG 3.15Å; M141-E145 PolarHBondContact O-N 3.35Å; E145-K148 PolarHBondContact O-N 2.87Å; E145-K148 IonicContact OE1-NZ 2.66Å; E145-K148 PolarHBondContact OE1-NZ 3.49Å; E145-L149 WeakPolarHBondContact O-CB 3.4Å; E145-L149 PolarHBondContact O-N 3.46Å; E145-V183 HydrophobicContact CB-CG2 4.13Å
146L97.6Very high94.2Very high18 Ų1865.5 Ų65.59%0.09430%0.304CS..Hα-helixtrans-62.4-45.6170.8177.463.5000111.1K142 R143 E144 L149 L150 Y165 V183 V185K142-L146 VanDerWaalsContact O-CB 3.26Å; K142-L146 WeakPolarHBondContact O-CB 3.37Å; K142-L146 PolarHBondContact O-N 2.77Å; R143-L146 PolarHBondContact O-N 2.99Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.25Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 3.47Å; L146-L150 HydrophobicContact CD1-CD1 4.32Å; L146-L150 HydrophobicContact CD1-CG 4.28Å; L146-L150 HydrophobicContact CG-CD1 4.09Å; L146-L150 HydrophobicContact CG-CG 4.47Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.5Å; L146-L150 PolarHBondContact O-N 3.16Å; L146-Y165 HydrophobicContact CD1-CD2 4.38Å; L146-Y165 HydrophobicContact CD1-CG 4.23Å; L146-Y165 HydrophobicContact CD2-CD1 3.74Å; L146-Y165 HydrophobicContact CD2-CD2 3.82Å; L146-Y165 HydrophobicContact CD2-CE1 3.8Å; L146-Y165 HydrophobicContact CD2-CE2 3.88Å; L146-Y165 HydrophobicContact CD2-CG 3.75Å; L146-V183 HydrophobicContact CB-CG1 4.48Å; L146-V185 HydrophobicContact CD1-CG2 3.55Å
147L97.2Very high94.7Very high78 Ų7862.8 Ų62.841%0.40831%0.311SS..Hα-helixtrans-62-44.5177.9-71.5171.7000111.6R143 E144 L149 L150 E151R143-L147 HydrophobicContact CG-CD1 4.31Å; R143-L147 VanDerWaalsContact O-CG 3.31Å; R143-L147 WeakPolarHBondContact O-CG 3.16Å; R143-L147 PolarHBondContact O-N 2.73Å; E144-L147 PolarHBondContact O-N 2.81Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 2.8Å; L147-L150 PolarHBondContact O-N 2.94Å; L147-E151 WeakPolarHBondContact O-CB 3.37Å; L147-E151 WeakPolarHBondContact O-CG 3.48Å; L147-E151 PolarHBondContact O-N 3.39Å
148K97.4Very high95Very high67 Ų6762 Ų6229%0.29130%0.304SS..Hα-helixtrans-59.3-39.7174.7-70.8173.2-173.4163.40112.5E144 E145 S152E144-K148 WeakPolarHBondContact O-CG 3.2Å; E144-K148 PolarHBondContact O-N 2.71Å; E144-K148 VanDerWaalsContact OE1-CE 3.24Å; E144-K148 WeakPolarHBondContact OE1-CE 3.49Å; E144-K148 IonicContact OE1-NZ 3.49Å; E144-K148 PolarHBondContact OE1-NZ 3.48Å; E145-K148 PolarHBondContact O-N 2.87Å; E145-K148 IonicContact OE1-NZ 2.66Å; E145-K148 PolarHBondContact OE1-NZ 3.49Å; K148-S152 PolarHBondContact O-N 2.57Å; K148-S152 VanDerWaalsContact O-N 3.08Å; K148-S152 PolarHBondContact O-OG 3.45Å
149L97.3Very high95.2Very high0 Ų064.8 Ų64.80%032%0.315CS..Hα-helixtrans-63.4-52.1174.317655.4000110.4Y29 R131 E145 L146 L147 E151 S152 L153 V183 V185Y29-L149 HydrophobicContact CD1-CD1 4.27Å; Y29-L149 HydrophobicContact CG-CD1 3.99Å; R131-L149 HydrophobicContact CB-CB 4.01Å; R131-L149 HydrophobicContact CB-CD1 4.16Å; R131-L149 HydrophobicContact CB-CD2 4.03Å; R131-L149 HydrophobicContact CB-CG 4.29Å; E145-L149 WeakPolarHBondContact O-CB 3.4Å; E145-L149 PolarHBondContact O-N 3.46Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 3.47Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 2.8Å; L149-E151 VanDerWaalsContact C-N 3.29Å; L149-E151 PolarHBondContact O-N 2.89Å; L149-S152 WeakPolarHBondContact O-CB 3.48Å; L149-S152 PolarHBondContact O-N 3.06Å; L149-L153 HydrophobicContact CD1-CD1 4.19Å; L149-L153 HydrophobicContact CD1-CD2 4.18Å; L149-L153 HydrophobicContact CD1-CG 4.02Å; L149-L153 HydrophobicContact CG-CD1 4.2Å; L149-L153 HydrophobicContact CG-CG 4.42Å; L149-L153 WeakPolarHBondContact O-CG 3.25Å; L149-L153 PolarHBondContact O-N 2.97Å; L149-V183 HydrophobicContact CB-CG2 4.46Å; L149-V183 HydrophobicContact CD2-CG2 4.12Å; L149-V185 HydrophobicContact CD2-CB 4.2Å; L149-V185 HydrophobicContact CD2-CG2 3.72Å; L149-V185 HydrophobicContact CG-CG2 4.23Å
150L96.8Very high95.5Very high15 Ų1563.2 Ų63.28%0.07931%0.307CS..Hα-helixtrans-59.4-38179.6-67.1172.6000112.7L146 L147 L153 K154 F160 V185L146-L150 HydrophobicContact CD1-CD1 4.32Å; L146-L150 HydrophobicContact CD1-CG 4.28Å; L146-L150 HydrophobicContact CG-CD1 4.09Å; L146-L150 HydrophobicContact CG-CG 4.47Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.5Å; L146-L150 PolarHBondContact O-N 3.16Å; L147-L150 PolarHBondContact O-N 2.94Å; L150-L153 PolarHBondContact O-N 3.13Å; L150-K154 WeakPolarHBondContact O-CB 3.27Å; L150-K154 VanDerWaalsContact O-CG 3.26Å; L150-K154 WeakPolarHBondContact O-CG 3.34Å; L150-K154 PolarHBondContact O-N 2.82Å; L150-F160 HydrophobicContact CD2-CD2 3.95Å; L150-F160 HydrophobicContact CD2-CE2 3.41Å; L150-F160 VanDerWaalsContact CD2-CE2 3.41Å; L150-F160 HydrophobicContact CD2-CZ 3.87Å; L150-V185 HydrophobicContact CD2-CG1 4.18Å; L150-V185 HydrophobicContact CD2-CG2 3.93Å
151E96.3Very high95.6Very high127 Ų12760.6 Ų60.659%0.59329%0.294SS*.Hα-helixtrans-62.7-43.8173.7-75.5172.5-176.900111.8L147 L149 K154 R155L147-E151 WeakPolarHBondContact O-CB 3.37Å; L147-E151 WeakPolarHBondContact O-CG 3.48Å; L147-E151 PolarHBondContact O-N 3.39Å; L149-E151 VanDerWaalsContact C-N 3.29Å; L149-E151 PolarHBondContact O-N 2.89Å; E151-K154 PolarHBondContact O-N 2.67Å; E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 3.22Å
152S95.8Very high95.3Very high12 Ų1262 Ų628%0.08430%0.303CS..Hα-helixtrans-63.1-43.4176.4-57.90000111.7K148 L149 K154 R155 D156K148-S152 PolarHBondContact O-N 2.57Å; K148-S152 VanDerWaalsContact O-N 3.08Å; K148-S152 PolarHBondContact O-OG 3.45Å; L149-S152 WeakPolarHBondContact O-CB 3.48Å; L149-S152 PolarHBondContact O-N 3.06Å; S152-K154 PolarHBondContact O-N 3.21Å; S152-R155 PolarHBondContact O-N 3.23Å; S152-D156 WeakPolarHBondContact O-CB 3.42Å; S152-D156 VanDerWaalsContact O-CG 3.22Å; S152-D156 PolarHBondContact O-N 3.33Å
153L94.9Very high95.2Very high0 Ų066.3 Ų66.30%032%0.322CS..Hα-helixtrans-64.4-40.5178.1-61.4179.7000112.2Y29 Y129 L149 L150 D156 G157 V158 F160 V185Y29-L153 HydrophobicContact CD1-CD2 4.26Å; Y29-L153 HydrophobicContact CD2-CD2 4.17Å; Y29-L153 HydrophobicContact CE1-CD2 3.95Å; Y29-L153 HydrophobicContact CE2-CD2 3.85Å; Y29-L153 HydrophobicContact CG-CD2 4.38Å; Y129-L153 HydrophobicContact CD1-CD2 3.57Å; Y129-L153 HydrophobicContact CD2-CD1 3.63Å; Y129-L153 HydrophobicContact CD2-CD2 3.79Å; Y129-L153 HydrophobicContact CD2-CG 4.37Å; Y129-L153 HydrophobicContact CE1-CD2 4.06Å; Y129-L153 HydrophobicContact CE2-CD1 4.31Å; Y129-L153 HydrophobicContact CE2-CD2 4.23Å; Y129-L153 HydrophobicContact CG-CD1 3.93Å; Y129-L153 HydrophobicContact CG-CD2 3.42Å; Y129-L153 VanDerWaalsContact CG-CD2 3.42Å; Y129-L153 HydrophobicContact CG-CG 4.33Å; L149-L153 HydrophobicContact CD1-CD1 4.19Å; L149-L153 HydrophobicContact CD1-CD2 4.18Å; L149-L153 HydrophobicContact CD1-CG 4.02Å; L149-L153 HydrophobicContact CG-CD1 4.2Å; L149-L153 HydrophobicContact CG-CG 4.42Å; L149-L153 WeakPolarHBondContact O-CG 3.25Å; L149-L153 PolarHBondContact O-N 2.97Å; L150-L153 PolarHBondContact O-N 3.13Å; L153-D156 PolarHBondContact O-N 2.93Å; L153-G157 PolarHBondContact O-N 3.18Å; L153-G157 VanDerWaalsContact O-N 3.16Å; L153-V158 HydrophobicContact CB-CG2 3.84Å; L153-V158 HydrophobicContact CD2-CG2 3.58Å; L153-V158 HydrophobicContact CG-CG2 4.27Å; L153-V158 WeakPolarHBondContact O-CG2 3.39Å; L153-V158 PolarHBondContact O-N 3.21Å; L153-F160 HydrophobicContact CB-CD1 3.75Å; L153-F160 HydrophobicContact CB-CE1 3.88Å; L153-F160 HydrophobicContact CD1-CB 4.1Å; L153-F160 HydrophobicContact CD1-CD1 3.93Å; L153-F160 HydrophobicContact CD1-CG 3.96Å; L153-F160 HydrophobicContact CG-CD1 4.48Å; L153-V185 HydrophobicContact CD1-CB 4.13Å; L153-V185 HydrophobicContact CD1-CG1 4.09Å
154K95.1Very high95.2Very high141 Ų14160.8 Ų60.861%0.61330%0.304SS*.Hα-helixtrans-65.5-44.6174.7-72.7171.5-175.4175.80111.9L150 E151 S152 D156 G157 F160L150-K154 WeakPolarHBondContact O-CB 3.27Å; L150-K154 VanDerWaalsContact O-CG 3.26Å; L150-K154 WeakPolarHBondContact O-CG 3.34Å; L150-K154 PolarHBondContact O-N 2.82Å; E151-K154 PolarHBondContact O-N 2.67Å; S152-K154 PolarHBondContact O-N 3.21Å; K154-D156 VanDerWaalsContact C-N 3.28Å; K154-D156 PolarHBondContact O-N 2.67Å; K154-G157 PolarHBondContact O-N 3.01Å; K154-F160 HydrophobicContact CG-CE1 4.17Å; K154-F160 HydrophobicContact CG-CZ 4.32Å
155R94.8Very high95.3Very high146 Ų14658.4 Ų58.455%0.55129%0.291SS*.Hα-helixtrans-56.8-43.1176.4178.8-166.468.6-161.6-4111.4D28 E151 S152 G157D28-R155 IonicContact OD2-CZ 3.43Å; D28-R155 IonicContact OD2-NH1 2.87Å; D28-R155 PolarHBondContact OD2-NH1 3.16Å; D28-R155 IonicContact OD2-NH2 3.47Å; D28-R155 PolarHBondContact OD2-NH2 2.74Å; E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 3.22Å; S152-R155 PolarHBondContact O-N 3.23Å; R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.96Å
156D93.6Very high95.3Very high36 Ų3658.3 Ų58.319%0.19329%0.29CS..THydrogen-bonded Turntrans-85.3-1.8-175.8-60.6-4.5000113.1Y29 S152 L153 K154 V158Y29-D156 WeakPolarHBondContact CE1-OD2 3.35Å; Y29-D156 PolarHBondContact OH-OD2 3.48Å; S152-D156 WeakPolarHBondContact O-CB 3.42Å; S152-D156 VanDerWaalsContact O-CG 3.22Å; S152-D156 PolarHBondContact O-N 3.33Å; L153-D156 PolarHBondContact O-N 2.93Å; K154-D156 VanDerWaalsContact C-N 3.28Å; K154-D156 PolarHBondContact O-N 2.67Å; D156-V158 VanDerWaalsContact C-N 3.33Å; D156-V158 HydrophobicContact CB-CG1 4.49Å; D156-V158 PolarHBondContact O-N 3.15Å
157G93.4Very high95.3Very high63 Ų6358 Ų5865%0.64929%0.289SS*.THydrogen-bonded Turntrans64.432.3175.800000114L153 K154 R155L153-G157 PolarHBondContact O-N 3.18Å; L153-G157 VanDerWaalsContact O-N 3.16Å; K154-G157 PolarHBondContact O-N 3.01Å; R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.96Å
158V92.6Very high95.3Very high20 Ų2054.5 Ų54.512%0.12127%0.271CS..  trans-96144.5178.8-62.80000111.6K25 Y129 L153 D156K25-V158 HydrophobicContact CD-CG1 3.86Å; Y129-V158 HydrophobicContact CE1-CG2 4.09Å; Y129-V158 HydrophobicContact CE2-CG2 4.42Å; L153-V158 HydrophobicContact CB-CG2 3.84Å; L153-V158 HydrophobicContact CD2-CG2 3.58Å; L153-V158 HydrophobicContact CG-CG2 4.27Å; L153-V158 WeakPolarHBondContact O-CG2 3.39Å; L153-V158 PolarHBondContact O-N 3.21Å; D156-V158 VanDerWaalsContact C-N 3.33Å; D156-V158 HydrophobicContact CB-CG1 4.49Å; D156-V158 PolarHBondContact O-N 3.15Å
159E94.5Very high95.1Very high124 Ų12452.5 Ų52.558%0.57927%0.269SS*.  trans-79.8140.3176.7-63.7-155137.700111.8Y129 K188Y129-E159 WeakPolarHBondContact CE2-O 3.47Å; Y129-E159 PolarHBondContact OH-O 2.92Å; E159-K188 HydrophobicContact CB-CB 4.12Å; E159-K188 HydrophobicContact CB-CD 4.44Å; E159-K188 IonicContact OE1-NZ 3.57Å; E159-K188 WeakPolarHBondContact OE2-CD 3.29Å; E159-K188 IonicContact OE2-NZ 3.45Å; E159-K188 PolarHBondContact OE2-NZ 2.72Å
160F95.5Very high94.9Very high45 Ų4553.3 Ų53.320%0.19727%0.272CS..EExtended strand (participates in β ladder)trans-149.9165.3179.265-93.3000111.7Y129 L150 L153 K154 D162 V185 L186Y129-F160 HydrophobicContact CD2-CB 4.13Å; Y129-F160 HydrophobicContact CE2-CB 3.81Å; L150-F160 HydrophobicContact CD2-CD2 3.95Å; L150-F160 HydrophobicContact CD2-CE2 3.41Å; L150-F160 VanDerWaalsContact CD2-CE2 3.41Å; L150-F160 HydrophobicContact CD2-CZ 3.87Å; L153-F160 HydrophobicContact CB-CD1 3.75Å; L153-F160 HydrophobicContact CB-CE1 3.88Å; L153-F160 HydrophobicContact CD1-CB 4.1Å; L153-F160 HydrophobicContact CD1-CD1 3.93Å; L153-F160 HydrophobicContact CD1-CG 3.96Å; L153-F160 HydrophobicContact CG-CD1 4.48Å; K154-F160 HydrophobicContact CG-CE1 4.17Å; K154-F160 HydrophobicContact CG-CZ 4.32Å; F160-D162 HydrophobicContact CE2-CB 4.35Å; F160-V185 HydrophobicContact CB-CG1 3.83Å; F160-V185 HydrophobicContact CD2-CG1 3.63Å; F160-V185 HydrophobicContact CG-CG1 4.01Å; F160-L186 CarbonylContact C-O 3.59Å; F160-L186 VanDerWaalsContact CA-O 3.32Å; F160-L186 WeakPolarHBondContact CA-O 3.36Å; F160-L186 WeakPolarHBondContact CB-O 3.39Å
161V95.3Very high94.2Very high50 Ų5053.8 Ų53.830%0.30328%0.275SS..EExtended strand (participates in β ladder)trans-99.2118172.9-179.20000108.4K163 V185 L186 K188V161-K163 WeakPolarHBondContact CG1-O 3.48Å; V161-K163 PolarHBondContact O-N 3.25Å; V161-V185 VanDerWaalsContact O-CG1 3.27Å; V161-V185 WeakPolarHBondContact O-CG1 3.35Å; V161-L186 HydrophobicContact CB-CB 4.35Å; V161-L186 PolarHBondContact N-O 2.89Å; V161-K188 HydrophobicContact CG2-CB 4.25Å; V161-K188 HydrophobicContact CG2-CG 4.5Å
162D88.6Confident93Very high85 Ų8550.9 Ų50.946%0.45527%0.269SS..EExtended strand (participates in β ladder)trans-66.3-37.4-175.9-171.856.1000112.9F160F160-D162 HydrophobicContact CE2-CB 4.35Å
163K92.5Very high91.5Very high115 Ų11554.2 Ų54.250%0.529%0.29SS..EExtended strand (participates in β ladder)trans-142.7140.6179.9-61.4174-174.8179.60110.5P86 V161P86-K163 HydrophobicContact CB-CD 4.18Å; P86-K163 HydrophobicContact CG-CD 3.8Å; P86-K163 HydrophobicContact CG-CG 4.04Å; V161-K163 WeakPolarHBondContact CG1-O 3.48Å; V161-K163 PolarHBondContact O-N 3.25Å
164P96.3Very high90Very high20 Ų2062.8 Ų62.813%0.1333%0.328CS..EExtended strand (participates in β ladder)cis-71.5161-2.631.6-37.6000112.9R83 V84 D85R83-P164 HydrophobicContact CG-CB 3.83Å; R83-P164 HydrophobicContact CG-CG 4.25Å; V84-P164 WeakPolarHBondContact O-CA 3.38Å; V84-P164 VanDerWaalsContact O-CB 3.24Å; V84-P164 WeakPolarHBondContact O-CB 3.38Å; D85-P164 WeakPolarHBondContact OD1-CB 3.26Å
165Y97.3Very high88.8Confident47 Ų4760 Ų6018%0.18432%0.316CS..EExtended strand (participates in β ladder)trans-116.8166.1167.268.5-92.5000110.1V84 P86 L146 T167V84-Y165 HydrophobicContact CB-CD1 4.32Å; V84-Y165 HydrophobicContact CB-CD2 4.27Å; V84-Y165 HydrophobicContact CB-CE1 3.88Å; V84-Y165 HydrophobicContact CB-CE2 3.81Å; V84-Y165 HydrophobicContact CG1-CE1 3.92Å; V84-Y165 HydrophobicContact CG1-CE2 4.39Å; V84-Y165 HydrophobicContact CG2-CD2 4.34Å; V84-Y165 HydrophobicContact CG2-CE2 3.71Å; V84-Y165 PolarHBondContact N-O 3.38Å; V84-Y165 PolarHBondContact O-N 3.14Å; P86-Y165 HydrophobicContact CG-CD1 4.41Å; P86-Y165 HydrophobicContact CG-CE1 3.93Å; L146-Y165 HydrophobicContact CD1-CD2 4.38Å; L146-Y165 HydrophobicContact CD1-CG 4.23Å; L146-Y165 HydrophobicContact CD2-CD1 3.74Å; L146-Y165 HydrophobicContact CD2-CD2 3.82Å; L146-Y165 HydrophobicContact CD2-CE1 3.8Å; L146-Y165 HydrophobicContact CD2-CE2 3.88Å; L146-Y165 HydrophobicContact CD2-CG 3.75Å; Y165-T167 HydrophobicContact CD2-CG2 4.46Å; Y165-T167 HydrophobicContact CE2-CG2 4.12Å
166Y98.3Very high87.3Confident15 Ų1558.9 Ų58.96%0.05932%0.32CS..EExtended strand (participates in β ladder)trans-120.6151.9179.6-64-110.5000111.3C82 R83 V183 W184 L186C82-Y166 CarbonylContact O-C 3.56Å; C82-Y166 WeakPolarHBondContact O-CA 3.47Å; R83-Y166 HydrophobicContact CB-CD1 3.83Å; R83-Y166 HydrophobicContact CB-CE1 3.51Å; R83-Y166 HydrophobicContact CG-CD1 4.43Å; R83-Y166 HydrophobicContact CG-CE1 3.9Å; R83-Y166 HydrophobicContact CG-CE2 4.2Å; Y166-V183 CarbonylContact O-C 3.56Å; Y166-V183 WeakPolarHBondContact O-CA 3.2Å; Y166-W184 HydrophobicContact CG-CE3 4.3Å; Y166-W184 PolarHBondContact N-O 2.89Å; Y166-W184 PolarHBondContact O-N 3.32Å; Y166-L186 HydrophobicContact CD2-CD2 4.34Å; Y166-L186 HydrophobicContact CE2-CD1 4.06Å; Y166-L186 HydrophobicContact CE2-CD2 4.05Å; Y166-L186 HydrophobicContact CE2-CG 4.13Å
167T97.8Very high86.1Confident13 Ų1362 Ų628%0.0834%0.34CS..EExtended strand (participates in β ladder)trans-119.4147.7163.363.50000108T81 C82 K142 Y165 E182 V183T81-T167 CarbonylContact C-O 3.54Å; T81-T167 VanDerWaalsContact CA-O 3.3Å; T81-T167 WeakPolarHBondContact CA-O 3.36Å; C82-T167 WeakPolarHBondContact CB-OG1 3.16Å; C82-T167 PolarHBondContact N-O 3.31Å; C82-T167 PolarHBondContact O-N 3.42Å; K142-T167 HydrophobicContact CB-CG2 4.29Å; K142-T167 HydrophobicContact CD-CG2 3.74Å; K142-T167 HydrophobicContact CG-CG2 4.11Å; Y165-T167 HydrophobicContact CD2-CG2 4.46Å; Y165-T167 HydrophobicContact CE2-CG2 4.12Å; T167-E182 CarbonylContact C-O 3.59Å; T167-E182 WeakPolarHBondContact CA-O 3.4Å; T167-V183 HydrophobicContact CG2-CG1 4.26Å
168A97.3Very high85.4Confident3 Ų366.1 Ų66.13%0.02535%0.348CS..EExtended strand (participates in β ladder)trans-136.6124179.600000110.8P79 V80 T81 Y170 N181 E182 W184P79-A168 HydrophobicContact CB-CB 3.84Å; P79-A168 HydrophobicContact CG-CB 3.93Å; V80-A168 WeakPolarHBondContact O-CA 3.33Å; T81-A168 HydrophobicContact CG2-CB 4.22Å; A168-Y170 HydrophobicContact CB-CE2 4.18Å; A168-N181 CarbonylContact O-C 3.44Å; A168-N181 VanDerWaalsContact O-CA 3.31Å; A168-N181 WeakPolarHBondContact O-CA 3.35Å; A168-E182 HydrophobicContact CB-CB 4.24Å; A168-E182 PolarHBondContact N-O 3.23Å; A168-E182 PolarHBondContact O-N 3.32Å; A168-W184 HydrophobicContact CB-CH2 4.43Å; A168-W184 HydrophobicContact CB-CZ2 3.64Å
169G94.2Very high85Confident25 Ų2566.9 Ų66.926%0.25835%0.348SS..EExtended strand (participates in β ladder)trans-109.2124.8176.200000110.8P79 V80P79-G169 WeakPolarHBondContact CA-O 3.27Å; P79-G169 WeakPolarHBondContact CB-O 3.04Å; V80-G169 PolarHBondContact N-O 3.17Å; V80-G169 PolarHBondContact O-N 2.97Å
170Y91.5Very high84.9Confident17 Ų1762.6 Ų62.67%0.06733%0.327CS..  trans-95.7-20-175.9-72.3-97.8000113.5A78 P79 A168 R180 E182A78-Y170 HydrophobicContact CB-CD1 4.17Å; P79-Y170 HydrophobicContact CB-CD1 3.95Å; P79-Y170 HydrophobicContact CB-CD2 3.97Å; P79-Y170 HydrophobicContact CB-CE1 3.82Å; P79-Y170 HydrophobicContact CB-CE2 3.82Å; P79-Y170 HydrophobicContact CB-CG 4.03Å; P79-Y170 HydrophobicContact CG-CE1 3.91Å; P79-Y170 HydrophobicContact CG-CE2 4.22Å; A168-Y170 HydrophobicContact CB-CE2 4.18Å; Y170-R180 HydrophobicContact CD2-CB 4.32Å; Y170-R180 HydrophobicContact CD2-CG 3.77Å; Y170-R180 HydrophobicContact CE2-CG 4.29Å; Y170-R180 HydrophobicContact CG-CB 4.44Å; Y170-R180 HydrophobicContact CG-CG 4.18Å; Y170-R180 PolarHBondContact N-O 3.43Å; Y170-E182 HydrophobicContact CE2-CB 4.41Å; Y170-E182 HydrophobicContact CE2-CG 3.71Å; Y170-E182 WeakPolarHBondContact CE2-OE2 3.23Å; Y170-E182 PolarHBondContact OH-OE1 3.2Å; Y170-E182 PolarHBondContact OH-OE2 3.47Å
171D82.6Confident84.8Confident25 Ų2560.9 Ų60.913%0.13432%0.32CS..SBendtrans-110.9138.6-167.1-63.7-70.6000112.9K175 R179 R180D171-K175 HydrophobicContact CB-CB 4.26Å; D171-K175 HydrophobicContact CB-CD 3.96Å; D171-K175 HydrophobicContact CB-CG 4.49Å; D171-K175 VanDerWaalsContact OD1-CD 3.23Å; D171-K175 WeakPolarHBondContact OD1-CD 3.43Å; D171-K175 WeakPolarHBondContact OD1-CE 3.4Å; D171-K175 IonicContact OD1-NZ 2.8Å; D171-K175 PolarHBondContact OD1-NZ 3.32Å; D171-K175 IonicContact OD2-NZ 2.67Å; D171-R179 HydrophobicContact CB-CG 4.44Å; D171-R179 PolarHBondContact O-NH2 3.44Å; D171-R179 WeakPolarHBondContact OD2-CA 3.5Å; D171-R180 PolarHBondContact OD2-N 2.9Å
172S70.8Confident85Confident66 Ų6658.5 Ų58.546%0.46231%0.305SS..  trans-49.3141.8170.9170.10000111.4F174 K175 R179S172-F174 PolarHBondContact O-N 3.32Å; S172-F174 WeakPolarHBondContact OG-CD2 3.14Å; S172-F174 PolarHBondContact OG-N 3.33Å; S172-K175 WeakPolarHBondContact O-CB 3.41Å; S172-K175 PolarHBondContact O-N 2.87Å; S172-R179 PolarHBondContact O-NH1 2.98Å
173P64.8Low85.4Confident83 Ų8354.5 Ų54.554%0.53928%0.284SS..THydrogen-bonded Turntrans-56.7-21.1178.523-34.1000113.7
174F64.2Low85.7Confident180 Ų18049 Ų4979%0.78926%0.26SS*.THydrogen-bonded Turntrans-83.7-9.1177.7-53-66.6000114.3S172 L176S172-F174 PolarHBondContact O-N 3.32Å; S172-F174 WeakPolarHBondContact OG-CD2 3.14Å; S172-F174 PolarHBondContact OG-N 3.33Å; F174-L176 PolarHBondContact O-N 3.18Å
175K69.6Low85.8Confident82 Ų8248.1 Ų48.136%0.35725%0.254SS..  trans-79.1113.4176.9-178.5169.1162.1-166.50110.3D171 S172 T177 N178 R179D171-K175 HydrophobicContact CB-CB 4.26Å; D171-K175 HydrophobicContact CB-CD 3.96Å; D171-K175 HydrophobicContact CB-CG 4.49Å; D171-K175 VanDerWaalsContact OD1-CD 3.23Å; D171-K175 WeakPolarHBondContact OD1-CD 3.43Å; D171-K175 WeakPolarHBondContact OD1-CE 3.4Å; D171-K175 IonicContact OD1-NZ 2.8Å; D171-K175 PolarHBondContact OD1-NZ 3.32Å; D171-K175 IonicContact OD2-NZ 2.67Å; S172-K175 WeakPolarHBondContact O-CB 3.41Å; S172-K175 PolarHBondContact O-N 2.87Å; K175-T177 WeakPolarHBondContact CE-O 3.42Å; K175-T177 WeakPolarHBondContact CG-O 3.45Å; K175-N178 VanDerWaalsContact CE-O 3.27Å; K175-N178 WeakPolarHBondContact CE-O 3.37Å; K175-N178 PolarHBondContact NZ-O 2.99Å; K175-R179 WeakPolarHBondContact O-CD 3.32Å; K175-R179 PolarHBondContact O-NH1 2.94Å
176L63.9Low85.8Confident122 Ų12247.3 Ų47.364%0.63925%0.253SS*.  trans-90.6-18.4-171.3-61.2176.8000115F136 F174F136-L176 HydrophobicContact CE1-CD2 4.39Å; F136-L176 WeakPolarHBondContact CE2-O 3.33Å; F136-L176 HydrophobicContact CZ-CB 4.36Å; F136-L176 HydrophobicContact CZ-CD2 4.07Å; F136-L176 WeakPolarHBondContact CZ-O 3.31Å; F174-L176 PolarHBondContact O-N 3.18Å
177T68.4Low85.6Confident101 Ų10150 Ų5062%0.6227%0.265SS*.SBendtrans-134.1160.2-176.859.50000111.9K175 R179K175-T177 WeakPolarHBondContact CE-O 3.42Å; K175-T177 WeakPolarHBondContact CG-O 3.45Å; T177-R179 VanDerWaalsContact C-N 3.25Å; T177-R179 PolarHBondContact O-N 3.3Å
178N76.9Confident85.4Confident151 Ų15153.7 Ų53.781%0.80728%0.28SS*.SBendtrans48.346.7179.7-65.9-10.7000113.2K175K175-N178 VanDerWaalsContact CE-O 3.27Å; K175-N178 WeakPolarHBondContact CE-O 3.37Å; K175-N178 PolarHBondContact NZ-O 2.99Å
179R84.6Confident84.6Confident35 Ų3557.6 Ų57.613%0.13231%0.312CS..  trans-75.4139.8173.7-60.3-175.468.380.27.6109.9G134 D171 S172 K175 T177G134-R179 WeakPolarHBondContact CA-O 3.37Å; D171-R179 HydrophobicContact CB-CG 4.44Å; D171-R179 PolarHBondContact O-NH2 3.44Å; D171-R179 WeakPolarHBondContact OD2-CA 3.5Å; S172-R179 PolarHBondContact O-NH1 2.98Å; K175-R179 WeakPolarHBondContact O-CD 3.32Å; K175-R179 PolarHBondContact O-NH1 2.94Å; T177-R179 VanDerWaalsContact C-N 3.25Å; T177-R179 PolarHBondContact O-N 3.3Å
180R91.8Very high83.1Confident35 Ų3564.4 Ų64.413%0.13234%0.337CS..EExtended strand (participates in β ladder)trans-110.4125.1173.6178.2-171.7177.6-176.910.3108.7F10 T132 Y170 D171 E182F10-R180 VanDerWaalsContact CD1-CZ 3.48Å; T132-R180 HydrophobicContact CG2-CG 3.92Å; Y170-R180 HydrophobicContact CD2-CB 4.32Å; Y170-R180 HydrophobicContact CD2-CG 3.77Å; Y170-R180 HydrophobicContact CE2-CG 4.29Å; Y170-R180 HydrophobicContact CG-CB 4.44Å; Y170-R180 HydrophobicContact CG-CG 4.18Å; Y170-R180 PolarHBondContact N-O 3.43Å; D171-R180 PolarHBondContact OD2-N 2.9Å; R180-E182 IonicContact CZ-OE1 3.49Å; R180-E182 VanDerWaalsContact CZ-OE1 3.26Å; R180-E182 IonicContact NE-OE1 2.73Å; R180-E182 PolarHBondContact NE-OE1 3.09Å; R180-E182 IonicContact NH2-OE1 3.54Å; R180-E182 PolarHBondContact NH2-OE1 3.3Å
181N95.3Very high80.7Confident9 Ų972.5 Ų72.55%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-130.7156.4172.3-47.5-79000108.7Y133 G135 A168Y133-N181 HydrophobicContact CD1-CB 4.34Å; Y133-N181 WeakPolarHBondContact CD1-O 3.4Å; Y133-N181 HydrophobicContact CD2-CB 4.17Å; Y133-N181 HydrophobicContact CE1-CB 3.78Å; Y133-N181 HydrophobicContact CE2-CB 3.62Å; Y133-N181 HydrophobicContact CG-CB 4.5Å; Y133-N181 PolarHBondContact N-O 2.96Å; Y133-N181 PolarHBondContact O-N 3.2Å; Y133-N181 VanDerWaalsContact O-O 3.12Å; G135-N181 PolarHBondContact O-ND2 3.5Å; A168-N181 CarbonylContact O-C 3.44Å; A168-N181 VanDerWaalsContact O-CA 3.31Å; A168-N181 WeakPolarHBondContact O-CA 3.35Å
182E97.8Very high78.2Confident0 Ų083.7 Ų83.70%043%0.427CS..EExtended strand (participates in β ladder)trans-137.9155.1177.3-59.8176.3162.200111.2R32 V130 R131 T132 T167 A168 Y170 R180 W184R32-E182 IonicContact CZ-OE1 2.8Å; R32-E182 VanDerWaalsContact NH1-CD 3.33Å; R32-E182 IonicContact NH1-OE1 2.95Å; R32-E182 PolarHBondContact NH1-OE1 3.47Å; R32-E182 IonicContact NH1-OE2 3.39Å; R32-E182 PolarHBondContact NH1-OE2 2.81Å; R32-E182 IonicContact NH2-OE1 3.79Å; R32-E182 PolarHBondContact NH2-OE1 3.11Å; V130-E182 HydrophobicContact CG1-CB 4.01Å; V130-E182 HydrophobicContact CG1-CG 4.01Å; R131-E182 CarbonylContact O-C 3.55Å; R131-E182 WeakPolarHBondContact O-CA 3.48Å; T132-E182 HydrophobicContact CG2-CG 4.2Å; T132-E182 PolarHBondContact OG1-OE1 2.78Å; T167-E182 CarbonylContact C-O 3.59Å; T167-E182 WeakPolarHBondContact CA-O 3.4Å; A168-E182 HydrophobicContact CB-CB 4.24Å; A168-E182 PolarHBondContact N-O 3.23Å; A168-E182 PolarHBondContact O-N 3.32Å; Y170-E182 HydrophobicContact CE2-CB 4.41Å; Y170-E182 HydrophobicContact CE2-CG 3.71Å; Y170-E182 WeakPolarHBondContact CE2-OE2 3.23Å; Y170-E182 PolarHBondContact OH-OE1 3.2Å; Y170-E182 PolarHBondContact OH-OE2 3.47Å; R180-E182 IonicContact CZ-OE1 3.49Å; R180-E182 VanDerWaalsContact CZ-OE1 3.26Å; R180-E182 IonicContact NE-OE1 2.73Å; R180-E182 PolarHBondContact NE-OE1 3.09Å; R180-E182 IonicContact NH2-OE1 3.54Å; R180-E182 PolarHBondContact NH2-OE1 3.3Å; E182-W184 VanDerWaalsContact CB-NE1 3.34Å; E182-W184 PolarHBondContact OE2-NE1 3.46Å
183V98.3Very high78.6Confident0 Ų084.6 Ų84.60%043%0.425CS..EExtended strand (participates in β ladder)trans-120136.8163.2-68.90000108.8R131 Y133 E145 L146 L149 Y166 T167R131-V183 HydrophobicContact CB-CG2 3.87Å; R131-V183 HydrophobicContact CG-CG2 4.49Å; R131-V183 PolarHBondContact N-O 2.98Å; R131-V183 PolarHBondContact O-N 3.38Å; Y133-V183 HydrophobicContact CE1-CG1 4.08Å; E145-V183 HydrophobicContact CB-CG2 4.13Å; L146-V183 HydrophobicContact CB-CG1 4.48Å; L149-V183 HydrophobicContact CB-CG2 4.46Å; L149-V183 HydrophobicContact CD2-CG2 4.12Å; Y166-V183 CarbonylContact O-C 3.56Å; Y166-V183 WeakPolarHBondContact O-CA 3.2Å; T167-V183 HydrophobicContact CG2-CG1 4.26Å
184W98.2Very high79.3Confident1 Ų184.7 Ų84.70%0.00442%0.419CS..EExtended strand (participates in β ladder)trans-122.7138.1-178.3-40.8-22.8000111.1Y34 P79 T81 F126 A128 Y129 V130 Y166 A168 E182Y34-W184 HydrophobicContact CE1-CH2 4.26Å; Y34-W184 HydrophobicContact CE2-CE3 4.48Å; Y34-W184 HydrophobicContact CE2-CH2 4.26Å; Y34-W184 HydrophobicContact CE2-CZ3 4.18Å; Y34-W184 AromaticContact CZ-CH2 3.79Å; Y34-W184 WeakPolarHBondContact OH-CZ2 3.48Å; P79-W184 HydrophobicContact CG-CH2 4.35Å; P79-W184 HydrophobicContact CG-CZ2 4.24Å; T81-W184 HydrophobicContact CG2-CH2 3.78Å; T81-W184 HydrophobicContact CG2-CZ2 4.44Å; T81-W184 HydrophobicContact CG2-CZ3 4.04Å; F126-W184 HydrophobicContact CE2-CE3 4.42Å; F126-W184 HydrophobicContact CE2-CZ3 4.44Å; F126-W184 HydrophobicContact CZ-CZ3 4.23Å; A128-W184 HydrophobicContact CB-CB 4.2Å; Y129-W184 VanDerWaalsContact O-CA 3.28Å; Y129-W184 WeakPolarHBondContact O-CA 3.45Å; V130-W184 HydrophobicContact CG2-CB 4.42Å; V130-W184 HydrophobicContact CG2-CD2 4.41Å; V130-W184 HydrophobicContact CG2-CG 3.96Å; Y166-W184 HydrophobicContact CG-CE3 4.3Å; Y166-W184 PolarHBondContact N-O 2.89Å; Y166-W184 PolarHBondContact O-N 3.32Å; A168-W184 HydrophobicContact CB-CH2 4.43Å; A168-W184 HydrophobicContact CB-CZ2 3.64Å; E182-W184 VanDerWaalsContact CB-NE1 3.34Å; E182-W184 PolarHBondContact OE2-NE1 3.46Å
185V97.8Very high80.2Confident0 Ų079.4 Ų79.40%040%0.399CS..EExtended strand (participates in β ladder)trans-121.9132.5171.9178.20000107.3A128 Y129 L146 L149 L150 L153 F160 V161A128-V185 WeakPolarHBondContact CA-O 3.22Å; Y129-V185 PolarHBondContact N-O 3.42Å; Y129-V185 PolarHBondContact O-N 2.93Å; L146-V185 HydrophobicContact CD1-CG2 3.55Å; L149-V185 HydrophobicContact CD2-CB 4.2Å; L149-V185 HydrophobicContact CD2-CG2 3.72Å; L149-V185 HydrophobicContact CG-CG2 4.23Å; L150-V185 HydrophobicContact CD2-CG1 4.18Å; L150-V185 HydrophobicContact CD2-CG2 3.93Å; L153-V185 HydrophobicContact CD1-CB 4.13Å; L153-V185 HydrophobicContact CD1-CG1 4.09Å; F160-V185 HydrophobicContact CB-CG1 3.83Å; F160-V185 HydrophobicContact CD2-CG1 3.63Å; F160-V185 HydrophobicContact CG-CG1 4.01Å; V161-V185 VanDerWaalsContact O-CG1 3.27Å; V161-V185 WeakPolarHBondContact O-CG1 3.35Å
186L97.3Very high80.8Confident30 Ų3079.2 Ų79.216%0.15740%0.401CS..EExtended strand (participates in β ladder)trans-76.2138.4-175.6-58.8-173.8000111.1F126 A128 F160 V161 Y166F126-L186 HydrophobicContact CD2-CD2 3.56Å; F126-L186 HydrophobicContact CE2-CD2 4.03Å; F126-L186 HydrophobicContact CG-CD2 4.35Å; A128-L186 HydrophobicContact CB-CD2 4.18Å; F160-L186 CarbonylContact C-O 3.59Å; F160-L186 VanDerWaalsContact CA-O 3.32Å; F160-L186 WeakPolarHBondContact CA-O 3.36Å; F160-L186 WeakPolarHBondContact CB-O 3.39Å; V161-L186 HydrophobicContact CB-CB 4.35Å; V161-L186 PolarHBondContact N-O 2.89Å; Y166-L186 HydrophobicContact CD2-CD2 4.34Å; Y166-L186 HydrophobicContact CE2-CD1 4.06Å; Y166-L186 HydrophobicContact CE2-CD2 4.05Å; Y166-L186 HydrophobicContact CE2-CG 4.13Å
187K95.4Very high81.9Confident71 Ų7176.6 Ų76.631%0.30939%0.386SS..EExtended strand (participates in β ladder)trans-66.8137.1166.3-174172.6-177.9-174.70108.3E22 T127 Y129 A189E22-K187 IonicContact OE2-NZ 3.54Å; E22-K187 PolarHBondContact OE2-NZ 2.94Å; T127-K187 HydrophobicContact CG2-CB 4.01Å; T127-K187 HydrophobicContact CG2-CD 3.65Å; T127-K187 PolarHBondContact O-N 3Å; Y129-K187 HydrophobicContact CE2-CB 3.83Å; Y129-K187 HydrophobicContact CE2-CG 4.18Å; Y129-K187 WeakPolarHBondContact OH-CG 3.44Å; K187-A189 PolarHBondContact O-N 2.71Å
188K93.3Very high82.8Confident92 Ų9274.9 Ų74.940%0.437%0.371SS..PPolyproline II helixtrans-67.3125.7175.5-170.6175.6165.5-154.80108.1E159 V161 E190E159-K188 HydrophobicContact CB-CB 4.12Å; E159-K188 HydrophobicContact CB-CD 4.44Å; E159-K188 IonicContact OE1-NZ 3.57Å; E159-K188 WeakPolarHBondContact OE2-CD 3.29Å; E159-K188 IonicContact OE2-NZ 3.45Å; E159-K188 PolarHBondContact OE2-NZ 2.72Å; V161-K188 HydrophobicContact CG2-CB 4.25Å; V161-K188 HydrophobicContact CG2-CG 4.5Å; K188-E190 PolarHBondContact O-N 3.39Å
189A80.4Confident83.2Confident84 Ų8469.5 Ų69.569%0.69434%0.34SS*.PPolyproline II helixtrans-60.8131.6174.900000108.9K187 Q191K187-A189 PolarHBondContact O-N 2.71Å; A189-Q191 PolarHBondContact O-N 2.74Å
190E62.7Low83.1Confident169 Ų16972.2 Ų72.279%0.7936%0.356SS*.PPolyproline II helixtrans-61.5122.1168.6-68.9179.1177.700107.2K188 Q192K188-E190 PolarHBondContact O-N 3.39Å; E190-Q192 PolarHBondContact O-N 3.03Å
191Q40.5Very low82.3Confident187 Ų18775.3 Ų75.387%0.87437%0.374SS*.  trans-67106.8168.4-69.2178.1-100106.1A189A189-Q191 PolarHBondContact O-N 2.74Å
192Q31.2Very low81.2Confident260 Ų26081.3 Ų81.3100%1.21540%0.404SS*.  trans-710165.2-70-178.515.700109.8E190E190-Q192 PolarHBondContact O-N 3.03Å

Retrieved 192 of 192 residues in 383.9 ms (Link to these results)

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