A0A060XHJ1_ONCMY Loading...

Splicing factor 3A subunit 2

Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing. Within the 17S U2 SnRNP complex, SF3A2 is part of the SF3A subcomplex that contributes to the assembly of the 17S U2 snRNP, and the subsequent assembly of the pre-spliceosome 'E' complex and the pre-catalytic spliceosome 'A' complex. Involved in pre-mRNA splicing as a component of pre-catalytic spliceosome 'B' complexes, including the Bact complex. Interacts directly with the duplex formed by U2 snRNA and the intron.

AlphaFold DB , UniProt , Accession A0A060XHJ1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene sf3a2, Length 308 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
1M53.8Low56.5Low218 Ų218153.9 Ų153.9100%1.07483%0.827SS**  0121.30-84.972.7172.700108.6F3M1-F3 WeakPolarHBondContact O-CD2 3.21Å
2D47.4Very low56.8Low134 Ų134148 Ų14872%0.71783%0.829SS**  trans-71.2127.1-177.8-120.6-71.9000112.2
3F56.7Low56.9Low192 Ų192142.2 Ų142.284%0.84280%0.804SS**  trans-105.218.1-179.9-80.3-86.8000113M1M1-F3 WeakPolarHBondContact O-CD2 3.21Å
4Q65.3Low57.4Low157 Ų157137.1 Ų137.173%0.73480%0.8SS**THydrogen-bonded Turntrans-87.4-2.9-168.2-73.2179.7-9.600116.2
5H54Low58.1Low185 Ų185132.8 Ų132.886%0.85680%0.796SS**THydrogen-bonded Turntrans-129.133.5-175-75.9-74.4000115.6
6R57.5Low58.8Low236 Ų236133.9 Ų133.989%0.89180%0.803SS**  trans-94.9103.4166.4-152.7172.2-169.6106.1-1.1108.9G8R6-G8 PolarHBondContact O-N 3.5Å
7A61.4Low59.4Low115 Ų115129 Ų12995%0.9578%0.781SS**  trans-64.677.3170.200000109.8
8G51.8Low60.5Low60 Ų60124.4 Ų124.462%0.61976%0.755SS**  trans-86.2112.1169.300000108.6R6 K10R6-G8 PolarHBondContact O-N 3.5Å; G8-K10 PolarHBondContact O-N 3.31Å
9G59.8Low61.5Low71 Ų71122.7 Ų122.773%0.73275%0.75SS**PPolyproline II helixtrans-55.1124.916200000108.6T11G9-T11 PolarHBondContact O-N 3.14Å
10K60.9Low62.6Low174 Ų174120.7 Ų120.776%0.75774%0.741SS**PPolyproline II helixtrans-63.2129.7179.9-71.1178.6177.9-1800108.4G8 G12 S13G8-K10 PolarHBondContact O-N 3.31Å; K10-G12 PolarHBondContact O-N 3.46Å; K10-G12 VanDerWaalsContact O-N 3.1Å; K10-S13 PolarHBondContact O-N 3.25Å; K10-S13 PolarHBondContact O-OG 2.95Å
11T53.3Low63.5Low151 Ų151120.5 Ų120.593%0.92673%0.731SS**THydrogen-bonded Turntrans-60.6117172.1550000107.9G9G9-T11 PolarHBondContact O-N 3.14Å
12G59.6Low65Low83 Ų83112.8 Ų112.886%0.85670%0.699SS**THydrogen-bonded Turntrans101-5.9-172.500000115.7K10 G14K10-G12 PolarHBondContact O-N 3.46Å; K10-G12 VanDerWaalsContact O-N 3.1Å; G12-G14 PolarHBondContact O-N 3.1Å
13S58.3Low66.7Low72 Ų72109.9 Ų109.950%0.50368%0.683SS.*SBendtrans-76.7101.7161.269.40000107.6K10 G15K10-S13 PolarHBondContact O-N 3.25Å; K10-S13 PolarHBondContact O-OG 2.95Å; S13-G15 PolarHBondContact O-N 3.02Å
14G63.3Low68Low72 Ų72109.1 Ų109.174%0.74268%0.675SS**  trans-43.3134.217100000109.9G12G12-G14 PolarHBondContact O-N 3.1Å
15G68.1Low68.9Low72 Ų72106.7 Ų106.774%0.74267%0.667SS**  trans-50.6152.7-17100000112.8S13 A17S13-G15 PolarHBondContact O-N 3.02Å; G15-A17 PolarHBondContact O-N 3.34Å
16V69.8Low70.4Confident151 Ų151105.8 Ų105.892%0.91566%0.656SS**  trans-54.6116173-175.90000107.4S18V16-S18 PolarHBondContact O-N 2.81Å
17A68.3Low71.5Confident50 Ų50103 Ų10341%0.41365%0.645SS.*  trans-50.4130.9-177.600000109.5G15 E21G15-A17 PolarHBondContact O-N 3.34Å; A17-E21 HydrophobicContact CB-CB 4.18Å
18S79.6Confident72.6Confident47 Ų47102.4 Ų102.433%0.32962%0.623SS.*  trans-56.7153.5177.863.50000110.1V16 S20 E21 S22V16-S18 PolarHBondContact O-N 2.81Å; S18-S20 PolarHBondContact O-N 2.86Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-OG 2.79Å; S18-E21 VanDerWaalsContact CB-OE2 3.32Å; S18-E21 WeakPolarHBondContact CB-OE2 3.28Å; S18-E21 PolarHBondContact N-OE2 2.86Å; S18-E21 PolarHBondContact O-N 2.85Å; S18-E21 VanDerWaalsContact OG-CD 3.31Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.38Å; S18-E21 PolarHBondContact OG-N 2.85Å; S18-E21 PolarHBondContact OG-OE2 2.77Å; S18-S22 PolarHBondContact O-N 2.83Å; S18-S22 PolarHBondContact O-OG 2.91Å
19S79.3Confident74.3Confident92 Ų92107.3 Ų107.364%0.64362%0.623SS**Hα-helixtrans-52.9-33.7177.6-179.30000112N23S19-N23 WeakPolarHBondContact O-CB 3.5Å; S19-N23 PolarHBondContact O-N 3.26Å; S19-N23 PolarHBondContact O-ND2 2.88Å
20S83.5Confident75.2Confident82 Ų82109 Ų10957%0.57361%0.614SS**Hα-helixtrans-64.4-42173.139.40000114.3S18 R24S18-S20 PolarHBondContact O-N 2.86Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-OG 2.79Å; S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 2.76Å; S20-R24 VanDerWaalsContact O-N 3.08Å
21E83.1Confident76.1Confident116 Ų116105.4 Ų105.454%0.54260%0.596SS.*Hα-helixtrans-70.8-44.1179.8-73.3166.3121.800110.6A17 S18 N23 R24 D25A17-E21 HydrophobicContact CB-CB 4.18Å; S18-E21 VanDerWaalsContact CB-OE2 3.32Å; S18-E21 WeakPolarHBondContact CB-OE2 3.28Å; S18-E21 PolarHBondContact N-OE2 2.86Å; S18-E21 PolarHBondContact O-N 2.85Å; S18-E21 VanDerWaalsContact OG-CD 3.31Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.38Å; S18-E21 PolarHBondContact OG-N 2.85Å; S18-E21 PolarHBondContact OG-OE2 2.77Å; E21-N23 VanDerWaalsContact C-N 3.29Å; E21-N23 PolarHBondContact O-N 2.73Å; E21-R24 WeakPolarHBondContact O-CB 3.49Å; E21-R24 PolarHBondContact O-N 3.16Å; E21-D25 PolarHBondContact O-N 3.13Å
22S83.8Confident77.4Confident56 Ų56103.7 Ų103.739%0.39258%0.577SS.*Hα-helixtrans-60-38.3175.6-620000112.2S18 R26S18-S22 PolarHBondContact O-N 2.83Å; S18-S22 PolarHBondContact O-OG 2.91Å; S22-R26 VanDerWaalsContact O-CB 3.32Å; S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 PolarHBondContact O-N 2.83Å
23N84.3Confident78.5Confident73 Ų73103.7 Ų103.739%0.3956%0.558SS.*Hα-helixtrans-74.8-24.3176.5-74.4-28.4000113.5S19 E21 R27S19-N23 WeakPolarHBondContact O-CB 3.5Å; S19-N23 PolarHBondContact O-N 3.26Å; S19-N23 PolarHBondContact O-ND2 2.88Å; E21-N23 VanDerWaalsContact C-N 3.29Å; E21-N23 PolarHBondContact O-N 2.73Å; N23-R27 WeakPolarHBondContact O-CG 3.27Å; N23-R27 PolarHBondContact O-N 3.24Å; N23-R27 PolarHBondContact O-NE 2.81Å; N23-R27 VanDerWaalsContact O-NE 3.16Å
24R83.1Confident79.4Confident177 Ų177102 Ų10267%0.66855%0.548SS*.Hα-helixtrans-75.6-49174.1-174.3179.7173.4130.2-0.9110.1S20 E21 R26 R27 E28S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 2.76Å; S20-R24 VanDerWaalsContact O-N 3.08Å; E21-R24 WeakPolarHBondContact O-CB 3.49Å; E21-R24 PolarHBondContact O-N 3.16Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 2.98Å; R24-R27 PolarHBondContact O-N 3.14Å; R24-R27 VanDerWaalsContact O-N 3.12Å; R24-E28 PolarHBondContact O-N 3.44Å
25D85.4Confident80Confident105 Ų105101.1 Ų101.156%0.56153%0.526SS*.Hα-helixtrans-57.3-46.2175.7-17873.1000111.5E21 R27 E28 R29E21-D25 PolarHBondContact O-N 3.13Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.43Å; D25-E28 PolarHBondContact O-N 2.94Å; D25-R29 WeakPolarHBondContact O-CB 3.42Å; D25-R29 PolarHBondContact O-N 3.09Å
26R84.4Confident80.5Confident167 Ų167105.4 Ų105.463%0.6353%0.526SS*.Hα-helixtrans-57.6-43.9174.8-173.6-175.6-68.7-165.2-1.4112.6S22 R24 L30S22-R26 VanDerWaalsContact O-CB 3.32Å; S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 PolarHBondContact O-N 2.83Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 2.98Å; R26-L30 HydrophobicContact CG-CD1 4.19Å; R26-L30 WeakPolarHBondContact O-CB 3.49Å; R26-L30 VanDerWaalsContact O-CG 3.25Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.34Å
27R81.4Confident80.9Confident176 Ų176103.9 Ų103.966%0.66452%0.518SS*.Hα-helixtrans-66.9-40178.9-84.9-175.6-76.7173.9-6.1112N23 R24 D25 R31N23-R27 WeakPolarHBondContact O-CG 3.27Å; N23-R27 PolarHBondContact O-N 3.24Å; N23-R27 PolarHBondContact O-NE 2.81Å; N23-R27 VanDerWaalsContact O-NE 3.16Å; R24-R27 PolarHBondContact O-N 3.14Å; R24-R27 VanDerWaalsContact O-N 3.12Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.43Å; R27-R31 WeakPolarHBondContact O-CB 3.27Å; R27-R31 PolarHBondContact O-N 3.22Å
28E84.5Confident81.3Confident103 Ų103104.9 Ų104.948%0.48152%0.516SS..Hα-helixtrans-67.1-43.3178.4-172.4160.9-165.400111.5R24 D25 R31 Q32R24-E28 PolarHBondContact O-N 3.44Å; D25-E28 PolarHBondContact O-N 2.94Å; E28-R31 WeakPolarHBondContact O-CB 3.46Å; E28-R31 PolarHBondContact O-N 2.74Å; E28-Q32 WeakPolarHBondContact O-CG 3.47Å; E28-Q32 PolarHBondContact O-N 3.24Å
29R85.8Confident81.3Confident163 Ų163106.1 Ų106.162%0.61552%0.518SS*.Hα-helixtrans-62.6-44.6174.4-171.8176.7-179.51790.8112.8D25 R31 Q32 L33D25-R29 WeakPolarHBondContact O-CB 3.42Å; D25-R29 PolarHBondContact O-N 3.09Å; R29-R31 VanDerWaalsContact C-N 3.26Å; R29-R31 PolarHBondContact O-N 2.9Å; R29-Q32 PolarHBondContact O-N 2.94Å; R29-L33 HydrophobicContact CG-CD1 4.3Å; R29-L33 WeakPolarHBondContact O-CG 3.35Å; R29-L33 PolarHBondContact O-N 3.31Å
30L79.5Confident81.5Confident106 Ų106102.3 Ų102.356%0.55549%0.491SS*.Hα-helixtrans-61.8-36.2175.7-74.9171.7000112R26 A34R26-L30 HydrophobicContact CG-CD1 4.19Å; R26-L30 WeakPolarHBondContact O-CB 3.49Å; R26-L30 VanDerWaalsContact O-CG 3.25Å; R26-L30 WeakPolarHBondContact O-CG 3.43Å; R26-L30 PolarHBondContact O-N 3.34Å; L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 2.99Å; L30-A34 VanDerWaalsContact O-N 3.09Å
31R80.2Confident81.6Confident100 Ų100104.6 Ų104.638%0.37750%0.497SS..Hα-helixtrans-65.9-42.7174.3-179.5-178.7173.7143.1-3111.8R27 E28 R29 A34 L35 G67R27-R31 WeakPolarHBondContact O-CB 3.27Å; R27-R31 PolarHBondContact O-N 3.22Å; E28-R31 WeakPolarHBondContact O-CB 3.46Å; E28-R31 PolarHBondContact O-N 2.74Å; R29-R31 VanDerWaalsContact C-N 3.26Å; R29-R31 PolarHBondContact O-N 2.9Å; R31-A34 PolarHBondContact O-N 2.83Å; R31-L35 HydrophobicContact CG-CD1 4.1Å; R31-L35 WeakPolarHBondContact O-CG 3.29Å; R31-L35 PolarHBondContact O-N 2.93Å; R31-G67 VanDerWaalsContact NH2-N 3.17Å
32Q81.2Confident81.7Confident114 Ų114107 Ų10753%0.53351%0.505SS..Hα-helixtrans-63.4-45.8176.9-72.4173.43.800111.7E28 R29 A34 L35 E36E28-Q32 WeakPolarHBondContact O-CG 3.47Å; E28-Q32 PolarHBondContact O-N 3.24Å; R29-Q32 PolarHBondContact O-N 2.94Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 2.98Å; Q32-L35 PolarHBondContact O-N 3.1Å; Q32-L35 VanDerWaalsContact O-N 3.15Å; Q32-E36 PolarHBondContact O-N 3.33Å
33L82.8Confident82Confident84 Ų84106.3 Ų106.344%0.4450%0.497SS..Hα-helixtrans-59.3-39.5176.3-70.6168.1000112.1R29 E36 T37R29-L33 HydrophobicContact CG-CD1 4.3Å; R29-L33 WeakPolarHBondContact O-CG 3.35Å; R29-L33 PolarHBondContact O-N 3.31Å; L33-E36 PolarHBondContact O-N 2.88Å; L33-T37 PolarHBondContact O-N 2.8Å; L33-T37 VanDerWaalsContact O-N 3.12Å; L33-T37 PolarHBondContact O-OG1 2.82Å
34A76.3Confident82.3Confident36 Ų36107.7 Ų107.730%0.29851%0.51SS..Hα-helixtrans-67.9-38.5176.700000112.7L30 R31 Q32 E36 T37 I38L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 2.99Å; L30-A34 VanDerWaalsContact O-N 3.09Å; R31-A34 PolarHBondContact O-N 2.83Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 2.98Å; A34-E36 VanDerWaalsContact C-N 3.35Å; A34-T37 PolarHBondContact O-N 2.98Å; A34-I38 PolarHBondContact O-N 3.18Å; A34-I38 VanDerWaalsContact O-N 3.08Å
35L76.4Confident82.7Confident54 Ų54101.3 Ų101.328%0.28349%0.486SS..Hα-helixtrans-67.4-34.8175.7-75.7163.6000112.3R31 Q32 I40 E66 L70R31-L35 HydrophobicContact CG-CD1 4.1Å; R31-L35 WeakPolarHBondContact O-CG 3.29Å; R31-L35 PolarHBondContact O-N 2.93Å; Q32-L35 PolarHBondContact O-N 3.1Å; Q32-L35 VanDerWaalsContact O-N 3.15Å; L35-I40 HydrophobicContact CD2-CD1 3.55Å; L35-E66 HydrophobicContact CD2-CB 4.26Å; L35-L70 HydrophobicContact CD2-CD1 3.62Å; L35-L70 HydrophobicContact CG-CD1 4.04Å
36E78.9Confident83.1Confident161 Ų16198 Ų9875%0.75247%0.467SS*.Hα-helixtrans-71.1-33.1176.5-170177.4-17800112.1Q32 L33 A34Q32-E36 PolarHBondContact O-N 3.33Å; L33-E36 PolarHBondContact O-N 2.88Å; A34-E36 VanDerWaalsContact C-N 3.35Å
37T76.6Confident83.4Confident119 Ų11994.6 Ų94.673%0.7346%0.459SS*.Hα-helixtrans-83-31.3-177.3-52.10000112.9L33 A34L33-T37 PolarHBondContact O-N 2.8Å; L33-T37 VanDerWaalsContact O-N 3.12Å; L33-T37 PolarHBondContact O-OG1 2.82Å; A34-T37 PolarHBondContact O-N 2.98Å
38I77.3Confident83.9Confident72 Ų7292.4 Ų92.437%0.36945%0.454SS..SBendtrans-118.6106.3-174.8-55175000109.3A34 I40 L70A34-I38 PolarHBondContact O-N 3.18Å; A34-I38 VanDerWaalsContact O-N 3.08Å; I38-I40 PolarHBondContact O-N 2.89Å; I38-L70 HydrophobicContact CB-CD2 4.28Å; I38-L70 HydrophobicContact CD1-CD2 4.49Å; I38-L70 HydrophobicContact CG2-CD2 4Å
39D80.4Confident84.1Confident72 Ų7289.1 Ų89.139%0.38544%0.44SS..  trans-71.3102170.3-176.6-1.3000110N41 K42D39-N41 PolarHBondContact O-N 3.4Å; D39-N41 WeakPolarHBondContact OD1-CB 3.48Å; D39-N41 PolarHBondContact OD1-N 2.81Å; D39-N41 VanDerWaalsContact OD1-N 3.08Å; D39-N41 PolarHBondContact OD1-ND2 2.85Å; D39-N41 VanDerWaalsContact OD1-ND2 3.15Å; D39-K42 HydrophobicContact CB-CD 3.99Å; D39-K42 HydrophobicContact CB-CG 4.2Å; D39-K42 PolarHBondContact O-N 2.81Å; D39-K42 VanDerWaalsContact O-N 3.12Å; D39-K42 WeakPolarHBondContact OD2-CE 3.43Å; D39-K42 IonicContact OD2-NZ 3.57Å
40I83.1Confident84Confident13 Ų1389.7 Ų89.77%0.06745%0.45CS..G310 helixtrans-59.2-29.1-178.1-60.1175.6000111.5L35 I38 K42 D43 F46 E66 Y69 L70L35-I40 HydrophobicContact CD2-CD1 3.55Å; I38-I40 PolarHBondContact O-N 2.89Å; I40-K42 PolarHBondContact O-N 3.16Å; I40-D43 WeakPolarHBondContact O-CB 3.16Å; I40-D43 PolarHBondContact O-N 3.15Å; I40-F46 HydrophobicContact CG2-CB 4.34Å; I40-F46 HydrophobicContact CG2-CD1 3.74Å; I40-F46 HydrophobicContact CG2-CD2 3.38Å; I40-F46 HydrophobicContact CG2-CE1 3.72Å; I40-F46 HydrophobicContact CG2-CE2 3.35Å; I40-F46 HydrophobicContact CG2-CG 3.55Å; I40-F46 HydrophobicContact CG2-CZ 3.52Å; I40-E66 HydrophobicContact CD1-CB 3.84Å; I40-E66 HydrophobicContact CD1-CG 4.37Å; I40-Y69 HydrophobicContact CG2-CD1 4.02Å; I40-Y69 HydrophobicContact CG2-CE1 4.08Å; I40-L70 HydrophobicContact CD1-CD1 3.91Å; I40-L70 HydrophobicContact CD1-CD2 4.14Å; I40-L70 HydrophobicContact CD1-CG 3.83Å; I40-L70 HydrophobicContact CG1-CD1 4.32Å; I40-L70 HydrophobicContact CG1-CD2 3.78Å; I40-L70 HydrophobicContact CG1-CG 4.07Å
41N84.8Confident84.4Confident130 Ų13091.1 Ų91.170%0.69546%0.457SS*.G310 helixtrans-72.1-15.2-178.1-56.5-72000113D39D39-N41 PolarHBondContact O-N 3.4Å; D39-N41 WeakPolarHBondContact OD1-CB 3.48Å; D39-N41 PolarHBondContact OD1-N 2.81Å; D39-N41 VanDerWaalsContact OD1-N 3.08Å; D39-N41 PolarHBondContact OD1-ND2 2.85Å; D39-N41 VanDerWaalsContact OD1-ND2 3.15Å
42K86.4Confident84.6Confident167 Ų16788 Ų8873%0.72646%0.456SS*.G310 helixtrans-85.2-9.3176.2-67.8177.9-176.3159.30113.2D39 I40 P44D39-K42 HydrophobicContact CB-CD 3.99Å; D39-K42 HydrophobicContact CB-CG 4.2Å; D39-K42 PolarHBondContact O-N 2.81Å; D39-K42 VanDerWaalsContact O-N 3.12Å; D39-K42 WeakPolarHBondContact OD2-CE 3.43Å; D39-K42 IonicContact OD2-NZ 3.57Å; I40-K42 PolarHBondContact O-N 3.16Å; K42-P44 WeakPolarHBondContact O-CD 3.45Å
43D88.8Confident85.1Confident40 Ų4084.4 Ų84.421%0.21444%0.444CS..  trans-75.1116.8176.9-176.4-16000110I40 Y45 F46 Y69I40-D43 WeakPolarHBondContact O-CB 3.16Å; I40-D43 PolarHBondContact O-N 3.15Å; D43-Y45 PolarHBondContact O-N 2.79Å; D43-Y45 PolarHBondContact OD1-N 3.02Å; D43-F46 HydrophobicContact CB-CB 3.93Å; D43-F46 WeakPolarHBondContact O-CB 3.26Å; D43-F46 PolarHBondContact O-N 3.42Å; D43-F46 VanDerWaalsContact O-N 3.11Å; D43-Y69 VanDerWaalsContact CG-OH 3.3Å; D43-Y69 PolarHBondContact OD2-OH 2.97Å
44P91.5Very high85.5Confident103 Ų10381.8 Ų81.867%0.66943%0.428SS*.THydrogen-bonded Turntrans-64.9-12.6-17828.5-36.5000113.6K42K42-P44 WeakPolarHBondContact O-CD 3.45Å
45Y91.5Very high86.3Confident42 Ų4282.7 Ų82.717%0.16543%0.426CS..THydrogen-bonded Turntrans-103.1-3.8179.2-54.2-53.9000113.8D43 K57 L58 L82D43-Y45 PolarHBondContact O-N 2.79Å; D43-Y45 PolarHBondContact OD1-N 3.02Å; Y45-K57 WeakPolarHBondContact O-CB 3.35Å; Y45-K57 PolarHBondContact O-N 2.78Å; Y45-L58 HydrophobicContact CD1-CB 4.04Å; Y45-L58 HydrophobicContact CD2-CB 4.13Å; Y45-L58 HydrophobicContact CD2-CD2 4.06Å; Y45-L58 HydrophobicContact CE2-CD2 4.09Å; Y45-L58 HydrophobicContact CG-CB 3.78Å; Y45-L82 HydrophobicContact CE2-CD1 4.17Å; Y45-L82 HydrophobicContact CE2-CG 4.44Å
46F93.5Very high87.2Confident37 Ų3780.2 Ų80.216%0.16241%0.413CS..EExtended strand (participates in β ladder)trans-79.2136.9176.6175.3-109.4000111.4I40 D43 Y54 Y69I40-F46 HydrophobicContact CG2-CB 4.34Å; I40-F46 HydrophobicContact CG2-CD1 3.74Å; I40-F46 HydrophobicContact CG2-CD2 3.38Å; I40-F46 HydrophobicContact CG2-CE1 3.72Å; I40-F46 HydrophobicContact CG2-CE2 3.35Å; I40-F46 HydrophobicContact CG2-CG 3.55Å; I40-F46 HydrophobicContact CG2-CZ 3.52Å; D43-F46 HydrophobicContact CB-CB 3.93Å; D43-F46 WeakPolarHBondContact O-CB 3.26Å; D43-F46 PolarHBondContact O-N 3.42Å; D43-F46 VanDerWaalsContact O-N 3.11Å; F46-Y54 AromaticContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CD1 3.49Å; F46-Y54 VanDerWaalsContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CE1 4.32Å; F46-Y54 HydrophobicContact CE2-CG 4.22Å; F46-Y54 AromaticContact CZ-CD1 3.54Å; F46-Y54 HydrophobicContact CZ-CD1 3.54Å; F46-Y54 AromaticContact CZ-CE1 3.98Å; F46-Y54 HydrophobicContact CZ-CE1 3.98Å; F46-Y69 WeakPolarHBondContact CA-OH 3.08Å; F46-Y69 HydrophobicContact CB-CE1 3.99Å; F46-Y69 HydrophobicContact CB-CE2 4.47Å; F46-Y69 WeakPolarHBondContact CB-OH 3.47Å; F46-Y69 AromaticContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD2 4.1Å; F46-Y69 AromaticContact CD2-CE1 3.57Å; F46-Y69 HydrophobicContact CD2-CE1 3.57Å; F46-Y69 AromaticContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CG 4.05Å; F46-Y69 AromaticContact CD2-CZ 3.68Å; F46-Y69 HydrophobicContact CE2-CD1 4.23Å; F46-Y69 HydrophobicContact CE2-CE1 4.46Å; F46-Y69 HydrophobicContact CE2-CG 4.36Å; F46-Y69 HydrophobicContact CG-CE1 4.18Å; F46-Y69 PolarHBondContact N-OH 3.16Å
47M91Very high87.9Confident94 Ų9478.4 Ų78.446%0.46340%0.403SS..EExtended strand (participates in β ladder)trans-144.5139.5173-162.5170.8-158.600110.3E55M47-E55 HydrophobicContact CB-CB 4.45Å; M47-E55 PolarHBondContact N-O 3.14Å; M47-E55 VanDerWaalsContact N-O 3.1Å; M47-E55 PolarHBondContact O-N 2.52Å
48K92.5Very high88.7Confident130 Ų13073.4 Ų73.457%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-100.6124.2170.5-172.1175.8-178.5174.10109.1Y54K48-Y54 HydrophobicContact CD-CE1 4.26Å; K48-Y54 HydrophobicContact CG-CD1 4.47Å; K48-Y54 HydrophobicContact CG-CE1 4.29Å
49N87.9Confident89.4Confident35 Ų3570.6 Ų70.619%0.18736%0.358CS..  trans-73158.8176.1-80.3-5.2000112.2L51 G52 S53 E55N49-L51 PolarHBondContact O-N 2.84Å; N49-L51 VanDerWaalsContact O-N 3.13Å; N49-G52 PolarHBondContact O-N 3.5Å; N49-S53 PolarHBondContact N-O 3.26Å; N49-E55 VanDerWaalsContact CG-CD 3.42Å; N49-E55 VanDerWaalsContact CG-OE1 3.3Å; N49-E55 WeakPolarHBondContact ND2-CG 3.35Å; N49-E55 PolarHBondContact ND2-OE1 2.85Å; N49-E55 VanDerWaalsContact OD1-CG 3.28Å; N49-E55 WeakPolarHBondContact OD1-CG 3.37Å; N49-E55 PolarHBondContact OD1-OE1 2.82Å; N49-E55 PolarHBondContact OD1-OE2 2.85Å
50H84.3Confident90Very high175 Ų17574.5 Ų74.581%0.8138%0.378SS*.THydrogen-bonded Turntrans-58.9-20.9171.859-81.4000113.5
51L87Confident90.5Very high135 Ų13575.3 Ų75.371%0.70738%0.384SS*.THydrogen-bonded Turntrans-89.84.7174.4-58.2176.4000113.6N49 S53N49-L51 PolarHBondContact O-N 2.84Å; N49-L51 VanDerWaalsContact O-N 3.13Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.3Å
52G85.6Confident90.9Very high34 Ų3474.6 Ų74.635%0.35138%0.379SS..SBendtrans78.92.2179.400000115.5N49N49-G52 PolarHBondContact O-N 3.5Å
53S89.8Confident91.2Very high40 Ų4067.3 Ų67.328%0.2835%0.348SS..  trans-77.9156.6169.4-48.90000111.8N49 L51N49-S53 PolarHBondContact N-O 3.26Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.3Å
54Y92.9Very high91.3Very high28 Ų2872.4 Ų72.411%0.1138%0.375CS..EExtended strand (participates in β ladder)trans-103.5136.3-179.4-56.6-77.8000110.5F46 K48 L62 H63 E66F46-Y54 AromaticContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CD1 3.49Å; F46-Y54 VanDerWaalsContact CE2-CD1 3.49Å; F46-Y54 HydrophobicContact CE2-CE1 4.32Å; F46-Y54 HydrophobicContact CE2-CG 4.22Å; F46-Y54 AromaticContact CZ-CD1 3.54Å; F46-Y54 HydrophobicContact CZ-CD1 3.54Å; F46-Y54 AromaticContact CZ-CE1 3.98Å; F46-Y54 HydrophobicContact CZ-CE1 3.98Å; K48-Y54 HydrophobicContact CD-CE1 4.26Å; K48-Y54 HydrophobicContact CG-CD1 4.47Å; K48-Y54 HydrophobicContact CG-CE1 4.29Å; Y54-L62 CarbonylContact O-C 3.55Å; Y54-H63 PolarHBondContact N-O 3.2Å; Y54-H63 PolarHBondContact O-N 2.85Å; Y54-E66 HydrophobicContact CD1-CG 4.17Å; Y54-E66 HydrophobicContact CD2-CG 4.25Å; Y54-E66 HydrophobicContact CE1-CG 3.55Å; Y54-E66 HydrophobicContact CE2-CG 3.67Å; Y54-E66 HydrophobicContact CG-CG 4.48Å; Y54-E66 PolarHBondContact OH-OE1 2.88Å; Y54-E66 VanDerWaalsContact OH-OE1 3.12Å
55E92.4Very high91.2Very high56 Ų5670.7 Ų70.726%0.26236%0.36SS..EExtended strand (participates in β ladder)trans-121.6146.4-179.7-52.4-159.8147.900112.4M47 N49 T61 L62 Y69M47-E55 HydrophobicContact CB-CB 4.45Å; M47-E55 PolarHBondContact N-O 3.14Å; M47-E55 VanDerWaalsContact N-O 3.1Å; M47-E55 PolarHBondContact O-N 2.52Å; N49-E55 VanDerWaalsContact CG-CD 3.42Å; N49-E55 VanDerWaalsContact CG-OE1 3.3Å; N49-E55 WeakPolarHBondContact ND2-CG 3.35Å; N49-E55 PolarHBondContact ND2-OE1 2.85Å; N49-E55 VanDerWaalsContact OD1-CG 3.28Å; N49-E55 WeakPolarHBondContact OD1-CG 3.37Å; N49-E55 PolarHBondContact OD1-OE1 2.82Å; N49-E55 PolarHBondContact OD1-OE2 2.85Å; E55-T61 WeakPolarHBondContact CA-O 3.31Å; E55-L62 HydrophobicContact CB-CD2 4.48Å; E55-L62 HydrophobicContact CG-CD2 3.55Å; E55-L62 WeakPolarHBondContact OE1-CD2 3.33Å; E55-Y69 WeakPolarHBondContact O-CE2 3.49Å
56C94.4Very high90.9Very high1 Ų172 Ų721%0.00737%0.368CS..EExtended strand (participates in β ladder)trans-103.3106.7166.8178.10000110.1L58 C59 L60 T61 Y69 H72 H78C56-L58 PolarHBondContact O-N 2.83Å; C56-C59 HydrophobicContact CB-CB 4.33Å; C56-C59 PolarHBondContact O-N 3.44Å; C56-L60 WeakPolarHBondContact O-CA 3.42Å; C56-L60 PolarHBondContact O-N 2.9Å; C56-T61 WeakPolarHBondContact CB-OG1 3.2Å; C56-T61 PolarHBondContact N-O 2.92Å; C56-T61 PolarHBondContact O-N 2.75Å; C56-Y69 HydrophobicContact CB-CD2 4.27Å; C56-Y69 HydrophobicContact CB-CE2 3.68Å; C56-H72 PolarHBondContact SG-NE2 3.17Å; C56-H72 VanDerWaalsContact SG-NE2 3.38Å; C56-H78 VanDerWaalsContact SG-CE1 3.53Å; C56-H78 PolarHBondContact SG-ND1 2.91Å
57K93.8Very high90.6Very high124 Ų12471 Ų7154%0.53937%0.368SS..THydrogen-bonded Turntrans-65.4-25-179-157-179.5-150-175.30113.4Y45Y45-K57 WeakPolarHBondContact O-CB 3.35Å; Y45-K57 PolarHBondContact O-N 2.78Å
58L93.1Very high90.5Very high13 Ų1368.9 Ų68.97%0.06836%0.362CS..THydrogen-bonded Turntrans-73.2-37.7176.9178.661.7000112.1Y45 C56 N81 L82 R85Y45-L58 HydrophobicContact CD1-CB 4.04Å; Y45-L58 HydrophobicContact CD2-CB 4.13Å; Y45-L58 HydrophobicContact CD2-CD2 4.06Å; Y45-L58 HydrophobicContact CE2-CD2 4.09Å; Y45-L58 HydrophobicContact CG-CB 3.78Å; C56-L58 PolarHBondContact O-N 2.83Å; L58-N81 HydrophobicContact CD1-CB 4.12Å; L58-N81 HydrophobicContact CD2-CB 4.29Å; L58-N81 HydrophobicContact CG-CB 3.94Å; L58-L82 HydrophobicContact CD2-CB 3.75Å; L58-L82 HydrophobicContact CD2-CD1 4.19Å; L58-L82 HydrophobicContact CD2-CG 4.1Å; L58-R85 HydrophobicContact CD1-CB 4.24Å
59C93.8Very high90.4Very high13 Ų1362.8 Ų62.89%0.08834%0.336CS..THydrogen-bonded Turntrans-106.9-10.4-173.8-67.80000114.5C56 T61 H72 N81C56-C59 HydrophobicContact CB-CB 4.33Å; C56-C59 PolarHBondContact O-N 3.44Å; C59-T61 VanDerWaalsContact C-N 3.3Å; C59-T61 HydrophobicContact CB-CG2 4.01Å; C59-T61 PolarHBondContact O-N 3.1Å; C59-H72 WeakPolarHBondContact CB-NE2 3.19Å; C59-H72 PolarHBondContact SG-NE2 3.01Å; C59-N81 PolarHBondContact SG-ND2 2.69Å; C59-N81 VanDerWaalsContact SG-ND2 3.41Å
60L93.1Very high90.5Very high154 Ų15461.6 Ų61.681%0.80633%0.33SS*.THydrogen-bonded Turntrans5446.8-172-52.4178.3000111.7C56C56-L60 WeakPolarHBondContact O-CA 3.42Å; C56-L60 PolarHBondContact O-N 2.9Å
61T92.3Very high90.8Very high30 Ų3056.3 Ų56.318%0.18432%0.316CS..EExtended strand (participates in β ladder)trans-115.4139.6179.652.70000111.2E55 C56 C59 H63 H72E55-T61 WeakPolarHBondContact CA-O 3.31Å; C56-T61 WeakPolarHBondContact CB-OG1 3.2Å; C56-T61 PolarHBondContact N-O 2.92Å; C56-T61 PolarHBondContact O-N 2.75Å; C59-T61 VanDerWaalsContact C-N 3.3Å; C59-T61 HydrophobicContact CB-CG2 4.01Å; C59-T61 PolarHBondContact O-N 3.1Å; T61-H63 PolarHBondContact OG1-NE2 3.3Å; T61-H72 PolarHBondContact OG1-CE1 3.29Å; T61-H72 PolarHBondContact OG1-NE2 2.96Å
62L93.8Very high91.1Very high115 Ų11551.4 Ų51.460%0.60229%0.289SS*.EExtended strand (participates in β ladder)trans-94.7140175-57.3177.7000109.9Y54 E55Y54-L62 CarbonylContact O-C 3.55Å; E55-L62 HydrophobicContact CB-CD2 4.48Å; E55-L62 HydrophobicContact CG-CD2 3.55Å; E55-L62 WeakPolarHBondContact OE1-CD2 3.33Å
63H92.1Very high91.3Very high14 Ų1450.7 Ų50.77%0.06528%0.278CS..EExtended strand (participates in β ladder)trans-130.9131.5-180-60.3-77.2000109.5Y54 T61 N65 S68 Y69 H72Y54-H63 PolarHBondContact N-O 3.2Å; Y54-H63 PolarHBondContact O-N 2.85Å; T61-H63 PolarHBondContact OG1-NE2 3.3Å; H63-N65 VanDerWaalsContact C-N 3.3Å; H63-N65 PolarHBondContact O-N 2.97Å; H63-S68 PolarHBondContact ND1-O 2.96Å; H63-S68 PolarHBondContact ND1-OG 3.1Å; H63-S68 VanDerWaalsContact ND1-OG 3.1Å; H63-Y69 AromaticContact CD2-CD2 3.78Å; H63-H72 WeakPolarHBondContact CE1-CB 3.38Å; H63-H72 AromaticContact CE1-CG 3.42Å; H63-H72 VanDerWaalsContact CE1-CG 3.42Å; H63-H72 AromaticContact CE1-ND1 3.78Å; H63-H72 AromaticContact NE2-CD2 3.65Å; H63-H72 AromaticContact NE2-CG 3.45Å; H63-H72 AromaticContact NE2-ND1 3.92Å
64N91Very high91.3Very high147 Ų14755.1 Ų55.179%0.78629%0.294SS*.SBendtrans-76.7-21.4-176.6-63.60.6000112.4
65N88.9Confident91.3Very high67 Ų6754.9 Ų54.936%0.35830%0.301SS..SBendtrans-147.2154.7-177.859.234.5000111.2H63 G67 S68 Y69H63-N65 VanDerWaalsContact C-N 3.3Å; H63-N65 PolarHBondContact O-N 2.97Å; N65-G67 PolarHBondContact O-N 2.83Å; N65-S68 WeakPolarHBondContact O-CB 3.47Å; N65-S68 PolarHBondContact O-N 2.86Å; N65-S68 WeakPolarHBondContact OD1-CA 3.41Å; N65-S68 WeakPolarHBondContact OD1-CB 3.29Å; N65-S68 PolarHBondContact OD1-N 3.49Å; N65-Y69 PolarHBondContact O-N 3.12Å
66E86.1Confident91.4Very high71 Ų7160.9 Ų60.933%0.33233%0.326SS..Hα-helixtrans-58-36.5-177.8-64.2174.1172.800112.4L35 I40 Y54 S68 Y69 L70L35-E66 HydrophobicContact CD2-CB 4.26Å; I40-E66 HydrophobicContact CD1-CB 3.84Å; I40-E66 HydrophobicContact CD1-CG 4.37Å; Y54-E66 HydrophobicContact CD1-CG 4.17Å; Y54-E66 HydrophobicContact CD2-CG 4.25Å; Y54-E66 HydrophobicContact CE1-CG 3.55Å; Y54-E66 HydrophobicContact CE2-CG 3.67Å; Y54-E66 HydrophobicContact CG-CG 4.48Å; Y54-E66 PolarHBondContact OH-OE1 2.88Å; Y54-E66 VanDerWaalsContact OH-OE1 3.12Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.7Å; E66-Y69 WeakPolarHBondContact O-CB 3.49Å; E66-Y69 PolarHBondContact O-N 3.01Å; E66-L70 PolarHBondContact O-N 3.09Å
67G86.8Confident91.4Very high15 Ų1567 Ų6716%0.15535%0.353CS..Hα-helixtrans-64.9-34.8176.100000113.3R31 N65 Y69 L70 A71R31-G67 VanDerWaalsContact NH2-N 3.17Å; N65-G67 PolarHBondContact O-N 2.83Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; G67-L70 PolarHBondContact O-N 2.83Å; G67-A71 WeakPolarHBondContact O-CB 3.31Å; G67-A71 PolarHBondContact O-N 2.96Å
68S89.3Confident91.5Very high50 Ų5061.4 Ų61.435%0.3533%0.328SS..Hα-helixtrans-68.4-35.3173.9176.50000111.3H63 N65 E66 H72H63-S68 PolarHBondContact ND1-O 2.96Å; H63-S68 PolarHBondContact ND1-OG 3.1Å; H63-S68 VanDerWaalsContact ND1-OG 3.1Å; N65-S68 WeakPolarHBondContact O-CB 3.47Å; N65-S68 PolarHBondContact O-N 2.86Å; N65-S68 WeakPolarHBondContact OD1-CA 3.41Å; N65-S68 WeakPolarHBondContact OD1-CB 3.29Å; N65-S68 PolarHBondContact OD1-N 3.49Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.7Å; S68-H72 VanDerWaalsContact O-CB 3.31Å; S68-H72 WeakPolarHBondContact O-CB 3.33Å; S68-H72 PolarHBondContact O-N 3.17Å
69Y91.3Very high91.5Very high1 Ų165.5 Ų65.50%0.00435%0.347CS..Hα-helixtrans-65.3-48.4172.6179.6-93.1000111.4I40 D43 F46 E55 C56 H63 N65 E66 G67 A71 H72 T73I40-Y69 HydrophobicContact CG2-CD1 4.02Å; I40-Y69 HydrophobicContact CG2-CE1 4.08Å; D43-Y69 VanDerWaalsContact CG-OH 3.3Å; D43-Y69 PolarHBondContact OD2-OH 2.97Å; F46-Y69 WeakPolarHBondContact CA-OH 3.08Å; F46-Y69 HydrophobicContact CB-CE1 3.99Å; F46-Y69 HydrophobicContact CB-CE2 4.47Å; F46-Y69 WeakPolarHBondContact CB-OH 3.47Å; F46-Y69 AromaticContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD1 3.76Å; F46-Y69 HydrophobicContact CD2-CD2 4.1Å; F46-Y69 AromaticContact CD2-CE1 3.57Å; F46-Y69 HydrophobicContact CD2-CE1 3.57Å; F46-Y69 AromaticContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CE2 3.9Å; F46-Y69 HydrophobicContact CD2-CG 4.05Å; F46-Y69 AromaticContact CD2-CZ 3.68Å; F46-Y69 HydrophobicContact CE2-CD1 4.23Å; F46-Y69 HydrophobicContact CE2-CE1 4.46Å; F46-Y69 HydrophobicContact CE2-CG 4.36Å; F46-Y69 HydrophobicContact CG-CE1 4.18Å; F46-Y69 PolarHBondContact N-OH 3.16Å; E55-Y69 WeakPolarHBondContact O-CE2 3.49Å; C56-Y69 HydrophobicContact CB-CD2 4.27Å; C56-Y69 HydrophobicContact CB-CE2 3.68Å; H63-Y69 AromaticContact CD2-CD2 3.78Å; N65-Y69 PolarHBondContact O-N 3.12Å; E66-Y69 WeakPolarHBondContact O-CB 3.49Å; E66-Y69 PolarHBondContact O-N 3.01Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-A71 PolarHBondContact O-N 3.15Å; Y69-H72 WeakPolarHBondContact O-CA 3.31Å; Y69-H72 VanDerWaalsContact O-CB 3.31Å; Y69-H72 WeakPolarHBondContact O-CB 3.07Å; Y69-H72 PolarHBondContact O-N 3.34Å; Y69-T73 HydrophobicContact CD1-CG2 4.2Å; Y69-T73 HydrophobicContact CE1-CG2 3.63Å; Y69-T73 HydrophobicContact CE2-CG2 4.43Å; Y69-T73 PolarHBondContact O-N 3.28Å
70L89.4Confident91.5Very high11 Ų1168 Ų686%0.05836%0.362CS..Hα-helixtrans-60-42.3176.9-77176.4000113.1L35 I38 I40 E66 G67 H72 T73L35-L70 HydrophobicContact CD2-CD1 3.62Å; L35-L70 HydrophobicContact CG-CD1 4.04Å; I38-L70 HydrophobicContact CB-CD2 4.28Å; I38-L70 HydrophobicContact CD1-CD2 4.49Å; I38-L70 HydrophobicContact CG2-CD2 4Å; I40-L70 HydrophobicContact CD1-CD1 3.91Å; I40-L70 HydrophobicContact CD1-CD2 4.14Å; I40-L70 HydrophobicContact CD1-CG 3.83Å; I40-L70 HydrophobicContact CG1-CD1 4.32Å; I40-L70 HydrophobicContact CG1-CD2 3.78Å; I40-L70 HydrophobicContact CG1-CG 4.07Å; E66-L70 PolarHBondContact O-N 3.09Å; G67-L70 PolarHBondContact O-N 2.83Å; L70-H72 PolarHBondContact O-N 2.81Å; L70-T73 PolarHBondContact O-N 2.72Å; L70-T73 PolarHBondContact O-OG1 3.16Å
71A90.3Very high91.6Very high64 Ų6462.4 Ų62.453%0.52933%0.333SS..Hα-helixtrans-65.8-31.5174.800000111.8G67 Y69 G75G67-A71 WeakPolarHBondContact O-CB 3.31Å; G67-A71 PolarHBondContact O-N 2.96Å; Y69-A71 PolarHBondContact O-N 3.15Å; A71-G75 PolarHBondContact O-N 2.88Å
72H92.7Very high91.7Very high31 Ų3164 Ų6414%0.14434%0.34CS..Hα-helixtrans-69.7-41.2177.3168.581.7000112.9C56 C59 T61 H63 S68 Y69 L70 Q74 G75 H78C56-H72 PolarHBondContact SG-NE2 3.17Å; C56-H72 VanDerWaalsContact SG-NE2 3.38Å; C59-H72 WeakPolarHBondContact CB-NE2 3.19Å; C59-H72 PolarHBondContact SG-NE2 3.01Å; T61-H72 PolarHBondContact OG1-CE1 3.29Å; T61-H72 PolarHBondContact OG1-NE2 2.96Å; H63-H72 WeakPolarHBondContact CE1-CB 3.38Å; H63-H72 AromaticContact CE1-CG 3.42Å; H63-H72 VanDerWaalsContact CE1-CG 3.42Å; H63-H72 AromaticContact CE1-ND1 3.78Å; H63-H72 AromaticContact NE2-CD2 3.65Å; H63-H72 AromaticContact NE2-CG 3.45Å; H63-H72 AromaticContact NE2-ND1 3.92Å; S68-H72 VanDerWaalsContact O-CB 3.31Å; S68-H72 WeakPolarHBondContact O-CB 3.33Å; S68-H72 PolarHBondContact O-N 3.17Å; Y69-H72 WeakPolarHBondContact O-CA 3.31Å; Y69-H72 VanDerWaalsContact O-CB 3.31Å; Y69-H72 WeakPolarHBondContact O-CB 3.07Å; Y69-H72 PolarHBondContact O-N 3.34Å; L70-H72 PolarHBondContact O-N 2.81Å; H72-Q74 PolarHBondContact O-N 2.91Å; H72-G75 WeakPolarHBondContact O-CA 3.41Å; H72-G75 PolarHBondContact O-N 3.4Å; H72-H78 AromaticContact CD2-ND1 3.59Å; H72-H78 AromaticContact NE2-CG 3.96Å; H72-H78 AromaticContact NE2-ND1 3.31Å; H72-H78 PolarHBondContact NE2-ND1 2.93Å; H72-H78 VanDerWaalsContact O-CB 3.26Å; H72-H78 WeakPolarHBondContact O-CB 3.37Å
73T91.1Very high91.6Very high19 Ų1961.4 Ų61.412%0.11734%0.335CS..Hα-helixtrans-63.9-32.5179.958.70000112.2Y69 L70 G75 H78 Q79Y69-T73 HydrophobicContact CD1-CG2 4.2Å; Y69-T73 HydrophobicContact CE1-CG2 3.63Å; Y69-T73 HydrophobicContact CE2-CG2 4.43Å; Y69-T73 PolarHBondContact O-N 3.28Å; L70-T73 PolarHBondContact O-N 2.72Å; L70-T73 PolarHBondContact O-OG1 3.16Å; T73-G75 PolarHBondContact O-N 2.85Å; T73-H78 PolarHBondContact O-CD2 2.73Å; T73-Q79 PolarHBondContact O-NE2 2.83Å
74Q89.4Confident91.7Very high133 Ų13369.1 Ų69.162%0.62136%0.364SS*.THydrogen-bonded Turntrans-76.5-9.5172.5-60.8175.917.600113.2H72H72-Q74 PolarHBondContact O-N 2.91Å
75G92.9Very high91.8Very high24 Ų2466 Ų6625%0.24734%0.341CS..SBendtrans-74.7146.8-178.300000113.5A71 H72 T73 K77 H78 Q79A71-G75 PolarHBondContact O-N 2.88Å; H72-G75 WeakPolarHBondContact O-CA 3.41Å; H72-G75 PolarHBondContact O-N 3.4Å; T73-G75 PolarHBondContact O-N 2.85Å; G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.43Å; G75-H78 PolarHBondContact O-N 3.01Å; G75-H78 VanDerWaalsContact O-N 3.09Å; G75-Q79 PolarHBondContact O-N 2.75Å
76K94.6Very high91.9Very high181 Ų18165.3 Ų65.379%0.78734%0.344SS*.Hα-helixtrans-54-40.6-179.1-172.1174.5-177.8178.10113.2H78 Q79 T80K76-H78 PolarHBondContact O-N 2.68Å; K76-Q79 PolarHBondContact O-N 2.81Å; K76-T80 HydrophobicContact CG-CG2 4.35Å; K76-T80 WeakPolarHBondContact O-CG2 3.23Å; K76-T80 PolarHBondContact O-N 2.99Å; K76-T80 PolarHBondContact O-OG1 2.97Å
77K94.7Very high92.1Very high131 Ų13164.3 Ų64.357%0.5735%0.349SS*.Hα-helixtrans-60.1-45.9179.4-174.3179.7176.7-1750111.6G75 T80 N81G75-K77 VanDerWaalsContact C-N 3.28Å; G75-K77 PolarHBondContact O-N 3.43Å; K77-T80 WeakPolarHBondContact CA-OG1 3.08Å; K77-T80 PolarHBondContact O-N 2.82Å; K77-T80 PolarHBondContact O-OG1 2.91Å; K77-N81 PolarHBondContact O-N 3.13Å; K77-N81 VanDerWaalsContact O-N 3.08Å
78H94.1Very high92.2Very high5 Ų570 Ų702%0.02337%0.369CS..Hα-helixtrans-62.2-48.4178.4-174.9100000111.2C56 H72 T73 G75 K76 T80 N81 L82C56-H78 VanDerWaalsContact SG-CE1 3.53Å; C56-H78 PolarHBondContact SG-ND1 2.91Å; H72-H78 AromaticContact CD2-ND1 3.59Å; H72-H78 AromaticContact NE2-CG 3.96Å; H72-H78 AromaticContact NE2-ND1 3.31Å; H72-H78 PolarHBondContact NE2-ND1 2.93Å; H72-H78 VanDerWaalsContact O-CB 3.26Å; H72-H78 WeakPolarHBondContact O-CB 3.37Å; T73-H78 PolarHBondContact O-CD2 2.73Å; G75-H78 PolarHBondContact O-N 3.01Å; G75-H78 VanDerWaalsContact O-N 3.09Å; K76-H78 PolarHBondContact O-N 2.68Å; H78-T80 PolarHBondContact O-N 2.97Å; H78-N81 PolarHBondContact O-N 3.43Å; H78-N81 VanDerWaalsContact O-N 3.16Å; H78-L82 PolarHBondContact O-N 2.88Å
79Q94.7Very high92.1Very high100 Ų10073 Ų7347%0.46738%0.377SS..Hα-helixtrans-59.7-41.8177.4-63.4-59.5-35.700112.7T73 G75 K76 N81 L82 A83T73-Q79 PolarHBondContact O-NE2 2.83Å; G75-Q79 PolarHBondContact O-N 2.75Å; K76-Q79 PolarHBondContact O-N 2.81Å; Q79-N81 PolarHBondContact O-N 3.21Å; Q79-L82 PolarHBondContact O-N 2.63Å; Q79-A83 PolarHBondContact O-N 2.83Å
80T93.8Very high91.7Very high66 Ų6676.5 Ų76.541%0.40541%0.407SS..Hα-helixtrans-66.1-35.7176.754.50000113.4K76 K77 H78 L82 R84K76-T80 HydrophobicContact CG-CG2 4.35Å; K76-T80 WeakPolarHBondContact O-CG2 3.23Å; K76-T80 PolarHBondContact O-N 2.99Å; K76-T80 PolarHBondContact O-OG1 2.97Å; K77-T80 WeakPolarHBondContact CA-OG1 3.08Å; K77-T80 PolarHBondContact O-N 2.82Å; K77-T80 PolarHBondContact O-OG1 2.91Å; H78-T80 PolarHBondContact O-N 2.97Å; T80-L82 VanDerWaalsContact C-N 3.35Å; T80-R84 WeakPolarHBondContact O-CB 3.46Å; T80-R84 PolarHBondContact O-N 3.05Å
81N93.9Very high91.4Very high35 Ų3584.7 Ų84.719%0.18744%0.442CS..Hα-helixtrans-70.4-35.1176.2-76.8-12.1000111.5L58 C59 K77 H78 Q79 R84 R85L58-N81 HydrophobicContact CD1-CB 4.12Å; L58-N81 HydrophobicContact CD2-CB 4.29Å; L58-N81 HydrophobicContact CG-CB 3.94Å; C59-N81 PolarHBondContact SG-ND2 2.69Å; C59-N81 VanDerWaalsContact SG-ND2 3.41Å; K77-N81 PolarHBondContact O-N 3.13Å; K77-N81 VanDerWaalsContact O-N 3.08Å; H78-N81 PolarHBondContact O-N 3.43Å; H78-N81 VanDerWaalsContact O-N 3.16Å; Q79-N81 PolarHBondContact O-N 3.21Å; N81-R84 PolarHBondContact O-N 3.1Å; N81-R85 WeakPolarHBondContact O-CB 3.32Å; N81-R85 PolarHBondContact O-N 3.3Å
82L94.3Very high90.6Very high64 Ų6488.2 Ų88.234%0.33545%0.447SS..Hα-helixtrans-64.9-48176.9-156.4151.9000110.4Y45 L58 H78 Q79 T80 R84 R85 A86Y45-L82 HydrophobicContact CE2-CD1 4.17Å; Y45-L82 HydrophobicContact CE2-CG 4.44Å; L58-L82 HydrophobicContact CD2-CB 3.75Å; L58-L82 HydrophobicContact CD2-CD1 4.19Å; L58-L82 HydrophobicContact CD2-CG 4.1Å; H78-L82 PolarHBondContact O-N 2.88Å; Q79-L82 PolarHBondContact O-N 2.63Å; T80-L82 VanDerWaalsContact C-N 3.35Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.26Å; L82-R85 PolarHBondContact O-N 3.11Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.82Å
83A93Very high89.7Confident61 Ų6189.1 Ų89.150%0.50446%0.461SS..Hα-helixtrans-59.7-40.2173.900000112.3Q79 A86 A87Q79-A83 PolarHBondContact O-N 2.83Å; A83-A86 PolarHBondContact O-N 3.42Å; A83-A87 WeakPolarHBondContact O-CB 3.03Å; A83-A87 PolarHBondContact O-N 2.84Å
84R94Very high88.3Confident176 Ų17694 Ų9466%0.66449%0.492SS*.Hα-helixtrans-65.7-39.8176.9-169.6-177.5-61.2-173.60.6112.1T80 N81 L82 A87 K88T80-R84 WeakPolarHBondContact O-CB 3.46Å; T80-R84 PolarHBondContact O-N 3.05Å; N81-R84 PolarHBondContact O-N 3.1Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.26Å; R84-A87 PolarHBondContact O-N 2.68Å; R84-K88 PolarHBondContact O-N 3.46Å
85R91.9Very high86.9Confident82 Ų8291.8 Ų91.831%0.30950%0.497SS..Hα-helixtrans-66.5-47.6176.3-176.3169.7-68.6-177.9-0.9110.8L58 N81 L82 A87 K88 E89L58-R85 HydrophobicContact CD1-CB 4.24Å; N81-R85 WeakPolarHBondContact O-CB 3.32Å; N81-R85 PolarHBondContact O-N 3.3Å; L82-R85 PolarHBondContact O-N 3.11Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 2.9Å; R85-K88 PolarHBondContact O-N 3.33Å; R85-E89 HydrophobicContact CG-CG 4.34Å; R85-E89 WeakPolarHBondContact CG-OE1 3.34Å; R85-E89 WeakPolarHBondContact O-CB 3.4Å; R85-E89 WeakPolarHBondContact O-CG 3.34Å; R85-E89 PolarHBondContact O-N 3.06Å
86A91.3Very high85.2Confident51 Ų5198.8 Ų98.842%0.42152%0.523SS..Hα-helixtrans-57.6-40.8175.100000112.3L82 A83 A90L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.82Å; A83-A86 PolarHBondContact O-N 3.42Å; A86-A90 VanDerWaalsContact O-CB 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.11Å; A86-A90 PolarHBondContact O-N 2.81Å
87A90.1Very high83.1Confident51 Ų5195.7 Ų95.742%0.42152%0.522SS..Hα-helixtrans-68.4-33.7176.100000113.2A83 R84 R85 K91A83-A87 WeakPolarHBondContact O-CB 3.03Å; A83-A87 PolarHBondContact O-N 2.84Å; R84-A87 PolarHBondContact O-N 2.68Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 2.9Å; A87-K91 VanDerWaalsContact O-CG 3.31Å; A87-K91 WeakPolarHBondContact O-CG 3.16Å; A87-K91 PolarHBondContact O-N 2.97Å
88K89.8Confident81.4Confident134 Ų13493 Ų9358%0.58352%0.524SS*.Hα-helixtrans-72.5-45.6175-169.6-176.1176.7-161.60110.7R84 R85 A90 K91 E92R84-K88 PolarHBondContact O-N 3.46Å; R85-K88 PolarHBondContact O-N 3.33Å; K88-A90 VanDerWaalsContact C-N 3.29Å; K88-A90 PolarHBondContact O-N 2.93Å; K88-K91 CarbonylContact O-C 3.54Å; K88-K91 WeakPolarHBondContact O-CB 3.49Å; K88-K91 PolarHBondContact O-N 3.43Å; K88-E92 VanDerWaalsContact CE-OE2 3.28Å; K88-E92 WeakPolarHBondContact CE-OE2 2.69Å; K88-E92 IonicContact NZ-OE2 3.77Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.28Å; K88-E92 PolarHBondContact O-N 2.81Å
89E86.6Confident79.7Confident112 Ų11298.5 Ų98.552%0.52356%0.56SS.*Hα-helixtrans-62.4-35175.1-73.4173177.200111.7R85 K91 E92 A93R85-E89 HydrophobicContact CG-CG 4.34Å; R85-E89 WeakPolarHBondContact CG-OE1 3.34Å; R85-E89 WeakPolarHBondContact O-CB 3.4Å; R85-E89 WeakPolarHBondContact O-CG 3.34Å; R85-E89 PolarHBondContact O-N 3.06Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.05Å; E89-E92 PolarHBondContact O-N 3.29Å; E89-A93 WeakPolarHBondContact O-CA 3.33Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 3.37Å
90A84.1Confident77.9Confident76 Ų76100.9 Ų100.963%0.62857%0.571SS**Hα-helixtrans-68-27.7172.700000113.4A86 K88A86-A90 VanDerWaalsContact O-CB 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.11Å; A86-A90 PolarHBondContact O-N 2.81Å; K88-A90 VanDerWaalsContact C-N 3.29Å; K88-A90 PolarHBondContact O-N 2.93Å
91K81.3Confident76.3Confident183 Ų183106.5 Ų106.580%0.79659%0.59SS**Hα-helixtrans-84.5-31.6175.6-73176179-173.10113.1A87 K88 E89A87-K91 VanDerWaalsContact O-CG 3.31Å; A87-K91 WeakPolarHBondContact O-CG 3.16Å; A87-K91 PolarHBondContact O-N 2.97Å; K88-K91 CarbonylContact O-C 3.54Å; K88-K91 WeakPolarHBondContact O-CB 3.49Å; K88-K91 PolarHBondContact O-N 3.43Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.05Å
92E75.4Confident74.8Confident137 Ų137110.8 Ų110.864%0.6462%0.617SS**Hα-helixtrans-94.4-15-178.3-163.4172.6163.200112K88 E89K88-E92 VanDerWaalsContact CE-OE2 3.28Å; K88-E92 WeakPolarHBondContact CE-OE2 2.69Å; K88-E92 IonicContact NZ-OE2 3.77Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.28Å; K88-E92 PolarHBondContact O-N 2.81Å; E89-E92 PolarHBondContact O-N 3.29Å
93A72.8Confident73.2Confident51 Ų51115.9 Ų115.942%0.42164%0.637SS.*SBendtrans-49.3125.4164.900000106.5E89 A95E89-A93 WeakPolarHBondContact O-CA 3.33Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 3.37Å; A93-A95 PolarHBondContact O-N 3.26Å
94P62.1Low71.7Confident120 Ų120118.3 Ų118.378%0.77965%0.645SS**  trans-51.6122.9-178.920.5-30.5000106.3Q96P94-Q96 PolarHBondContact O-N 2.83Å
95A58.7Low70.3Confident88 Ų88118.4 Ų118.473%0.72765%0.653SS**  trans-40.6121.4167.500000105.9A93 P97A93-A95 PolarHBondContact O-N 3.26Å; A95-P97 VanDerWaalsContact O-N 3.1Å
96Q58.1Low69.2Low171 Ų171120.1 Ų120.180%0.79967%0.672SS**SBendtrans-28.8123.7164.9-78.5-81.76.600106.8P94 A98P94-Q96 PolarHBondContact O-N 2.83Å; Q96-A98 PolarHBondContact O-N 3.22Å
97P50.2Low68.2Low115 Ų115125.3 Ų125.375%0.74769%0.685SS**  trans-45115.6-171.517.4-30.2000107.1A95A95-P97 VanDerWaalsContact O-N 3.1Å
98A59.2Low67.1Low74 Ų74133 Ų13361%0.61271%0.709SS**  trans-43.7137.7173.600000106.7Q96 E100Q96-A98 PolarHBondContact O-N 3.22Å; A98-E100 PolarHBondContact O-N 2.78Å
99P57.8Low66.2Low121 Ų121131 Ų13179%0.78670%0.701SS**SBendtrans-38.6118.1-169.514.8-31000108.9K101P99-K101 PolarHBondContact O-N 3.5Å
100E58.2Low66Low150 Ų150131.9 Ų131.970%0.70171%0.713SS**  trans-41.3107.2-169-177.6166.6-172.200108A98 V102A98-E100 PolarHBondContact O-N 2.78Å; E100-V102 PolarHBondContact O-N 2.72Å
101K60.4Low66.2Low185 Ų185134.8 Ų134.880%0.80471%0.712SS**  trans-53.8113.1175.3-69.9-178.3-178.5-178.80104P99 K103P99-K101 PolarHBondContact O-N 3.5Å; K101-K103 PolarHBondContact O-N 3.49Å
102V60.9Low66.6Low125 Ų125129.7 Ų129.776%0.75869%0.692SS**  trans-37.3107.6-178.2175.20000107E100 V104E100-V102 PolarHBondContact O-N 2.72Å; V102-V104 HydrophobicContact CG1-CG2 4.44Å; V102-V104 PolarHBondContact O-N 3.25Å
103K61.1Low67.4Low171 Ų171124.2 Ų124.274%0.74367%0.673SS**  trans-66.490.8173-98.1175.2176168.60104.3K101 E105K101-K103 PolarHBondContact O-N 3.49Å; K103-E105 PolarHBondContact O-N 3.15Å
104V62.8Low68.5Low112 Ų112131.1 Ų131.168%0.67969%0.688SS**  trans-58.9108.6168.1179.40000104.4V102 V106V102-V104 HydrophobicContact CG1-CG2 4.44Å; V102-V104 PolarHBondContact O-N 3.25Å; V104-V106 PolarHBondContact O-N 3.08Å
105E64.3Low70.1Confident177 Ų177125.6 Ų125.683%0.82765%0.653SS**  trans-57.1107.4171.9-76.8-172.3157.300107.2K103 K107K103-E105 PolarHBondContact O-N 3.15Å; E105-K107 PolarHBondContact O-N 3.2Å
106V69.2Low71.9Confident118 Ų118123.6 Ų123.672%0.71564%0.64SS**  trans-68.4103.2175.5-177.40000105.9V104 K108V104-V106 PolarHBondContact O-N 3.08Å; V106-K108 PolarHBondContact O-N 3.07Å
107K69.3Low73.7Confident161 Ų161122.4 Ų122.470%0.763%0.629SS**  trans-54128.7172.4-76.3178.2-179.2177.90107.9E105 F109E105-K107 PolarHBondContact O-N 3.2Å; K107-F109 HydrophobicContact CB-CD2 4.15Å; K107-F109 HydrophobicContact CB-CE2 3.28Å; K107-F109 HydrophobicContact CB-CZ 3.72Å; K107-F109 HydrophobicContact CD-CZ 4.14Å; K107-F109 WeakPolarHBondContact O-CD2 2.96Å; K107-F109 WeakPolarHBondContact O-CE2 3.37Å
108K67.6Low76Confident211 Ų211123 Ų12392%0.91762%0.62SS**  trans-87.1115.2179.8-70.2179.6-178.9173.10108.5V106V106-K108 PolarHBondContact O-N 3.07Å
109F70.8Confident77.8Confident93 Ų93122.2 Ų122.241%0.40861%0.608SS.*PPolyproline II helixtrans-103.4148.7176.1-62.6-96.9000110.8K107 K111 E174 P175K107-F109 HydrophobicContact CB-CD2 4.15Å; K107-F109 HydrophobicContact CB-CE2 3.28Å; K107-F109 HydrophobicContact CB-CZ 3.72Å; K107-F109 HydrophobicContact CD-CZ 4.14Å; K107-F109 WeakPolarHBondContact O-CD2 2.96Å; K107-F109 WeakPolarHBondContact O-CE2 3.37Å; F109-K111 PolarHBondContact O-N 3.22Å; F109-E174 HydrophobicContact CB-CG 4.1Å; F109-E174 HydrophobicContact CD2-CG 3.65Å; F109-E174 WeakPolarHBondContact CD2-OE1 3.14Å; F109-E174 WeakPolarHBondContact CD2-OE2 3.28Å; F109-E174 HydrophobicContact CE2-CG 4.23Å; F109-E174 WeakPolarHBondContact CE2-OE1 3.32Å; F109-E174 HydrophobicContact CG-CG 3.92Å; F109-E174 VanDerWaalsContact CZ-OE1 3.28Å; F109-E174 WeakPolarHBondContact CZ-OE1 3.36Å; F109-P175 HydrophobicContact CB-CB 4.19Å
110V82.4Confident79.6Confident131 Ų131118.4 Ų118.479%0.79458%0.582SS**PPolyproline II helixtrans-71.9122.8168.7179.80000107.4
111K87.3Confident81.4Confident136 Ų136120.1 Ų120.159%0.59159%0.587SS**PPolyproline II helixtrans-75.2128.6-179.4-66.1-177.8-179.1176.60110.5F109 P175 E177F109-K111 PolarHBondContact O-N 3.22Å; K111-P175 WeakPolarHBondContact CA-O 3.4Å; K111-E177 HydrophobicContact CD-CG 4.27Å
112I89.4Confident83Confident76 Ų76114.9 Ų114.939%0.3957%0.566SS.*  trans-88.2-6.4-174.662.2174.6000113.6E140 P175 Y176I112-E140 HydrophobicContact CD1-CB 3.65Å; I112-P175 HydrophobicContact CD1-CG 3.74Å; I112-P175 HydrophobicContact CG1-CB 4.49Å; I112-P175 HydrophobicContact CG1-CG 3.91Å; I112-P175 HydrophobicContact CG2-CB 4.38Å; I112-P175 HydrophobicContact CG2-CG 3.99Å; I112-P175 PolarHBondContact N-O 3.26Å; I112-Y176 HydrophobicContact CD1-CD1 3.94Å; I112-Y176 HydrophobicContact CD1-CD2 4.05Å; I112-Y176 HydrophobicContact CD1-CE1 3.52Å; I112-Y176 HydrophobicContact CD1-CE2 3.68Å; I112-Y176 HydrophobicContact CD1-CG 4.2Å; I112-Y176 HydrophobicContact CG1-CD1 3.88Å; I112-Y176 HydrophobicContact CG1-CD2 4.49Å; I112-Y176 HydrophobicContact CG1-CE1 3.89Å; I112-Y176 HydrophobicContact CG1-CG 4.2Å
113G93.8Very high84.5Confident23 Ų23117.7 Ų117.724%0.23756%0.563CS.*BIsolated β-bridgetrans117.6-158.2178.700000113.1Y176 E177G113-Y176 WeakPolarHBondContact O-CA 3.48Å; G113-E177 PolarHBondContact O-N 3.12Å
114R94.5Very high85.8Confident195 Ų195111.7 Ų111.774%0.73654%0.539SS*.PPolyproline II helixtrans-90.1136.5-175.3-63.8-178.3177.3-152.51.6111.2E177R114-E177 HydrophobicContact CG-CB 4.24Å; R114-E177 VanDerWaalsContact CG-OE2 3.28Å; R114-E177 WeakPolarHBondContact CG-OE2 3.37Å; R114-E177 IonicContact NE-OE2 3.74Å; R114-E177 PolarHBondContact NE-OE2 2.9Å
115P95.9Very high86.9Confident5 Ų5112.3 Ų112.33%0.03255%0.545CS..PPolyproline II helixtrans-72.3155.2176.833.5-36.6000111.5I136 D137 Y138 Y176 I179P115-I136 HydrophobicContact CB-CG2 3.83Å; P115-I136 HydrophobicContact CG-CG2 3.94Å; P115-D137 WeakPolarHBondContact CB-O 3.4Å; P115-Y138 HydrophobicContact CB-CD1 3.62Å; P115-Y138 HydrophobicContact CB-CE1 3.39Å; P115-Y138 HydrophobicContact CG-CD1 4.31Å; P115-Y138 HydrophobicContact CG-CE1 3.57Å; P115-Y176 HydrophobicContact CB-CD1 3.79Å; P115-Y176 HydrophobicContact CB-CE1 4.17Å; P115-Y176 HydrophobicContact CB-CG 4.15Å; P115-Y176 HydrophobicContact CG-CD1 4.46Å; P115-I179 HydrophobicContact CG-CD1 4Å; P115-I179 HydrophobicContact CG-CG1 4.37Å; P115-I179 HydrophobicContact CG-CG2 3.93Å
116G96.4Very high88Confident45 Ų45112.6 Ų112.646%0.46455%0.546SS..EExtended strand (participates in β ladder)trans-70.8141.917200000110.8I136 D137G116-I136 WeakPolarHBondContact O-CA 3.28Å; G116-I136 WeakPolarHBondContact O-CG2 3.17Å; G116-D137 PolarHBondContact O-N 3.32Å
117Y96.8Very high88.7Confident146 Ų146108.4 Ų108.457%0.57352%0.522SS*.EExtended strand (participates in β ladder)trans-144.4154.1-179.964.6-96.9000113.2V119 Q135 I179 F181Y117-V119 HydrophobicContact CD2-CG2 4.17Å; Y117-Q135 CarbonylContact C-O 3.58Å; Y117-Q135 VanDerWaalsContact CA-O 3.27Å; Y117-Q135 WeakPolarHBondContact CA-O 3.22Å; Y117-I179 HydrophobicContact CD1-CD1 4.49Å; Y117-F181 HydrophobicContact CD1-CZ 4.23Å; Y117-F181 AromaticContact CD2-CE1 3.62Å; Y117-F181 HydrophobicContact CD2-CE1 3.62Å; Y117-F181 AromaticContact CD2-CZ 3.7Å; Y117-F181 HydrophobicContact CD2-CZ 3.7Å; Y117-F181 AromaticContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CZ 4.25Å; Y117-F181 HydrophobicContact CG-CE1 4.06Å; Y117-F181 AromaticContact CG-CZ 3.69Å; Y117-F181 HydrophobicContact CG-CZ 3.69Å
118K97.3Very high89.6Confident128 Ų128101.8 Ų101.856%0.55750%0.5SS*.EExtended strand (participates in β ladder)trans-134.4131.6170.5-178.8177176.5-176.20109.4Q135K118-Q135 HydrophobicContact CB-CB 4.31Å; K118-Q135 PolarHBondContact N-O 2.99Å; K118-Q135 PolarHBondContact O-N 3.3Å
119V97Very high90.7Very high58 Ų5892.4 Ų92.435%0.35246%0.46SS..EExtended strand (participates in β ladder)trans-117.2124.7178.3-172.60000108.7Y117 L133 F134 F181Y117-V119 HydrophobicContact CD2-CG2 4.17Å; V119-L133 CarbonylContact C-O 3.57Å; V119-L133 WeakPolarHBondContact CA-O 3.32Å; V119-F134 HydrophobicContact CB-CD1 4.42Å; V119-F134 HydrophobicContact CB-CE1 4.41Å; V119-F134 HydrophobicContact CG1-CD1 4.03Å; V119-F134 HydrophobicContact CG1-CE1 3.71Å; V119-F134 HydrophobicContact CG1-CZ 4.1Å; V119-F134 HydrophobicContact CG2-CD1 3.66Å; V119-F134 HydrophobicContact CG2-CE1 3.78Å; V119-F181 HydrophobicContact CG2-CD1 4.06Å; V119-F181 HydrophobicContact CG2-CE1 3.61Å; V119-F181 HydrophobicContact CG2-CZ 4.07Å
120T96.8Very high91.8Very high41 Ų4192.5 Ų92.525%0.25246%0.461SS..EExtended strand (participates in β ladder)trans-114.7123.4178.4-49.60000109Q122 L133T120-Q122 HydrophobicContact CG2-CG 3.89Å; T120-L133 PolarHBondContact N-O 3.42Å; T120-L133 PolarHBondContact O-N 3.33Å
121K95.6Very high92.4Very high185 Ų18586.5 Ų86.580%0.80443%0.425SS*.EExtended strand (participates in β ladder)trans-86.8124.9170.7-57.3-175.4179177.40107.9L132K121-L132 HydrophobicContact CB-CD2 4.23Å; K121-L132 HydrophobicContact CG-CD2 3.66Å
122Q93.9Very high92.9Very high75 Ų7580.8 Ų80.835%0.3540%0.401SS..EExtended strand (participates in β ladder)trans-124.2158.2-176.5-70.3177.3-28.200109.9T120 Q130 S131T120-Q122 HydrophobicContact CG2-CG 3.89Å; Q122-Q130 WeakPolarHBondContact O-CA 3.45Å; Q122-S131 VanDerWaalsContact CB-OG 3.27Å; Q122-S131 WeakPolarHBondContact CB-OG 3.38Å; Q122-S131 PolarHBondContact N-O 3.35Å; Q122-S131 PolarHBondContact O-N 3.12Å
123R92.5Very high93.2Very high184 Ų18478 Ų7869%0.69439%0.387SS*.EExtended strand (participates in β ladder)trans-131.3121.5169.5-170.2178.3-171.8-165.7-2.6107.2G128 Q129R123-G128 WeakPolarHBondContact CG-O 3.48Å; R123-G128 PolarHBondContact NE-O 2.67Å; R123-Q129 CarbonylContact C-O 3.51Å; R123-Q129 VanDerWaalsContact CA-O 3.29Å; R123-Q129 WeakPolarHBondContact CA-O 3.4Å
124D88Confident93.4Very high46 Ų4677.1 Ų77.125%0.24638%0.376CS..  trans-64.2123.3176.9179.543.9000109.2E126 S127 G128 Q129D124-E126 VanDerWaalsContact C-N 3.31Å; D124-E126 PolarHBondContact O-N 2.9Å; D124-S127 WeakPolarHBondContact CB-OG 3.47Å; D124-S127 WeakPolarHBondContact OD2-CB 3.23Å; D124-S127 PolarHBondContact OD2-N 3.5Å; D124-S127 PolarHBondContact OD2-OG 3.2Å; D124-G128 WeakPolarHBondContact O-CA 3.49Å; D124-G128 PolarHBondContact O-N 3.38Å; D124-Q129 PolarHBondContact N-O 3.31Å
125P86.6Confident93.6Very high124 Ų12470.7 Ų70.781%0.80536%0.355SS*.THydrogen-bonded Turntrans-67.6-29.7-175.925.1-34.5000113.2
126E85.8Confident93.7Very high183 Ų18370.6 Ų70.686%0.85535%0.354SS*.THydrogen-bonded Turntrans-82-52.4-177.8-66.2-175.5172.700112D124D124-E126 VanDerWaalsContact C-N 3.31Å; D124-E126 PolarHBondContact O-N 2.9Å
127S85.8Confident93.7Very high30 Ų3071.6 Ų71.621%0.2135%0.348CS..THydrogen-bonded Turntrans-87.3-15-178.670.90000113.8D124 Q129D124-S127 WeakPolarHBondContact CB-OG 3.47Å; D124-S127 WeakPolarHBondContact OD2-CB 3.23Å; D124-S127 PolarHBondContact OD2-N 3.5Å; D124-S127 PolarHBondContact OD2-OG 3.2Å; S127-Q129 PolarHBondContact O-N 3.49Å; S127-Q129 WeakPolarHBondContact OG-CB 3.06Å; S127-Q129 WeakPolarHBondContact OG-CG 3.37Å; S127-Q129 PolarHBondContact OG-N 2.95Å
128G87.5Confident93.6Very high23 Ų2364.6 Ų64.624%0.23732%0.321CS..  trans69.25.4-172.800000114.2R123 D124R123-G128 WeakPolarHBondContact CG-O 3.48Å; R123-G128 PolarHBondContact NE-O 2.67Å; D124-G128 WeakPolarHBondContact O-CA 3.49Å; D124-G128 PolarHBondContact O-N 3.38Å
129Q90.8Very high93.5Very high14 Ų1461.7 Ų61.77%0.06532%0.315CS..  trans-67.3139.3-179.8-75.5175.236.500111.6R123 D124 S127 M214R123-Q129 CarbonylContact C-O 3.51Å; R123-Q129 VanDerWaalsContact CA-O 3.29Å; R123-Q129 WeakPolarHBondContact CA-O 3.4Å; D124-Q129 PolarHBondContact N-O 3.31Å; S127-Q129 PolarHBondContact O-N 3.49Å; S127-Q129 WeakPolarHBondContact OG-CB 3.06Å; S127-Q129 WeakPolarHBondContact OG-CG 3.37Å; S127-Q129 PolarHBondContact OG-N 2.95Å; Q129-M214 HydrophobicContact CG-CG 3.75Å; Q129-M214 HydrophobicContact CG-SD 4.25Å
130Q94Very high93.3Very high95 Ų9565.1 Ų65.144%0.44433%0.327SS..EExtended strand (participates in β ladder)trans-82.6138.5172.4-69.5176.4-35.600109.7Q122 F212Q122-Q130 WeakPolarHBondContact O-CA 3.45Å; Q130-F212 HydrophobicContact CB-CD2 4.1Å; Q130-F212 WeakPolarHBondContact O-CD2 3.26Å; Q130-F212 PolarHBondContact O-N 3.16Å
131S94.9Very high93Very high4 Ų464 Ų643%0.02832%0.32CS..EExtended strand (participates in β ladder)trans-134.3159.6177.149.80000112.3Q122 F210 H211Q122-S131 VanDerWaalsContact CB-OG 3.27Å; Q122-S131 WeakPolarHBondContact CB-OG 3.38Å; Q122-S131 PolarHBondContact N-O 3.35Å; Q122-S131 PolarHBondContact O-N 3.12Å; S131-F210 VanDerWaalsContact CA-O 3.23Å; S131-F210 WeakPolarHBondContact CA-O 3.44Å; S131-F210 WeakPolarHBondContact CB-O 3.32Å; S131-H211 WeakPolarHBondContact CB-CD2 3.43Å
132L96.6Very high92.7Very high17 Ų1756.2 Ų56.29%0.08929%0.29CS..EExtended strand (participates in β ladder)trans-123.7126.4173.9-63.8175.7000108.2K121 F134 V183 Q209 F210 F212K121-L132 HydrophobicContact CB-CD2 4.23Å; K121-L132 HydrophobicContact CG-CD2 3.66Å; L132-F134 HydrophobicContact CB-CD2 4.33Å; L132-F134 HydrophobicContact CB-CE2 3.53Å; L132-F134 HydrophobicContact CB-CZ 4.09Å; L132-F134 HydrophobicContact CD1-CE2 4.31Å; L132-F134 HydrophobicContact CD1-CZ 4.18Å; L132-V183 HydrophobicContact CD1-CG1 3.94Å; L132-V183 HydrophobicContact CD1-CG2 4.34Å; L132-Q209 WeakPolarHBondContact O-CA 3.43Å; L132-F210 HydrophobicContact CB-CE1 4.33Å; L132-F210 HydrophobicContact CB-CE2 4.39Å; L132-F210 HydrophobicContact CB-CZ 4.05Å; L132-F210 HydrophobicContact CD1-CE2 4.12Å; L132-F210 HydrophobicContact CD1-CZ 3.79Å; L132-F210 HydrophobicContact CG-CZ 4.39Å; L132-F210 PolarHBondContact N-O 3.07Å; L132-F210 PolarHBondContact O-N 3.38Å; L132-F210 VanDerWaalsContact O-N 3.16Å; L132-F212 HydrophobicContact CD1-CE2 3.91Å; L132-F212 HydrophobicContact CD1-CZ 3.81Å; L132-F212 HydrophobicContact CG-CE2 3.99Å; L132-F212 HydrophobicContact CG-CZ 4.38Å
133L96.9Very high92.3Very high17 Ų1762.1 Ų62.19%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-109.5122.4172.1172.664.9000108.9V119 T120 Q135 W196 Q209V119-L133 CarbonylContact C-O 3.57Å; V119-L133 WeakPolarHBondContact CA-O 3.32Å; T120-L133 PolarHBondContact N-O 3.42Å; T120-L133 PolarHBondContact O-N 3.33Å; L133-Q135 HydrophobicContact CG-CG 4.26Å; L133-W196 HydrophobicContact CD1-CH2 4.4Å; L133-W196 HydrophobicContact CD1-CZ2 4.4Å; L133-Q209 HydrophobicContact CB-CG 4.47Å; L133-Q209 HydrophobicContact CD1-CB 3.92Å; L133-Q209 HydrophobicContact CD1-CG 4.47Å
134F98Very high92Very high4 Ų457.8 Ų57.82%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-106128.6175.6-62.6-94.9000108.9V119 L132 I136 L169 F181 V183 F207 L208 F210V119-F134 HydrophobicContact CB-CD1 4.42Å; V119-F134 HydrophobicContact CB-CE1 4.41Å; V119-F134 HydrophobicContact CG1-CD1 4.03Å; V119-F134 HydrophobicContact CG1-CE1 3.71Å; V119-F134 HydrophobicContact CG1-CZ 4.1Å; V119-F134 HydrophobicContact CG2-CD1 3.66Å; V119-F134 HydrophobicContact CG2-CE1 3.78Å; L132-F134 HydrophobicContact CB-CD2 4.33Å; L132-F134 HydrophobicContact CB-CE2 3.53Å; L132-F134 HydrophobicContact CB-CZ 4.09Å; L132-F134 HydrophobicContact CD1-CE2 4.31Å; L132-F134 HydrophobicContact CD1-CZ 4.18Å; F134-I136 HydrophobicContact CB-CD1 3.68Å; F134-L169 HydrophobicContact CD1-CD2 4.37Å; F134-L169 HydrophobicContact CD2-CD2 3.87Å; F134-L169 HydrophobicContact CE1-CD2 4.27Å; F134-L169 HydrophobicContact CE2-CD2 3.75Å; F134-L169 HydrophobicContact CG-CD2 4.2Å; F134-L169 HydrophobicContact CZ-CD2 3.95Å; F134-F181 HydrophobicContact CD1-CD1 4.31Å; F134-F181 AromaticContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CE1 4.38Å; F134-F181 AromaticContact CD1-CE2 3.67Å; F134-F181 HydrophobicContact CD1-CE2 3.67Å; F134-F181 AromaticContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CZ 4.08Å; F134-F181 HydrophobicContact CE1-CB 3.7Å; F134-F181 AromaticContact CE1-CD1 3.84Å; F134-F181 HydrophobicContact CE1-CD1 3.84Å; F134-F181 AromaticContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CE1 4.34Å; F134-F181 HydrophobicContact CE1-CE2 4.05Å; F134-F181 AromaticContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CG 3.41Å; F134-F181 VanDerWaalsContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CZ 4.43Å; F134-F181 HydrophobicContact CZ-CB 4.25Å; F134-F181 HydrophobicContact CZ-CG 4.4Å; F134-V183 HydrophobicContact CZ-CG2 4.25Å; F134-F207 WeakPolarHBondContact O-CA 3.36Å; F134-L208 HydrophobicContact CB-CB 4.44Å; F134-L208 HydrophobicContact CD2-CD2 3.8Å; F134-L208 HydrophobicContact CE2-CD2 4.43Å; F134-L208 PolarHBondContact N-O 3.33Å; F134-L208 PolarHBondContact O-N 3.12Å; F134-F210 HydrophobicContact CD2-CE1 4.18Å; F134-F210 HydrophobicContact CE2-CD1 4.41Å; F134-F210 AromaticContact CE2-CE1 3.49Å; F134-F210 HydrophobicContact CE2-CE1 3.49Å; F134-F210 VanDerWaalsContact CE2-CE1 3.49Å; F134-F210 AromaticContact CE2-CZ 4Å; F134-F210 HydrophobicContact CE2-CZ 4Å; F134-F210 HydrophobicContact CZ-CE1 4.4Å
135Q97.8Very high91.9Very high61 Ų6158.7 Ų58.729%0.28533%0.334SS..EExtended strand (participates in β ladder)trans-120119.1173-53.9-177.4-29.900107.1Y117 K118 L133 F206 F207Y117-Q135 CarbonylContact C-O 3.58Å; Y117-Q135 VanDerWaalsContact CA-O 3.27Å; Y117-Q135 WeakPolarHBondContact CA-O 3.22Å; K118-Q135 HydrophobicContact CB-CB 4.31Å; K118-Q135 PolarHBondContact N-O 2.99Å; K118-Q135 PolarHBondContact O-N 3.3Å; L133-Q135 HydrophobicContact CG-CG 4.26Å; Q135-F206 CarbonylContact C-O 3.53Å; Q135-F206 WeakPolarHBondContact CA-O 3.34Å; Q135-F207 HydrophobicContact CB-CD1 4.39Å; Q135-F207 HydrophobicContact CB-CE1 4.27Å; Q135-F207 HydrophobicContact CG-CD1 3.74Å; Q135-F207 HydrophobicContact CG-CE1 3.72Å
136I97.9Very high92.2Very high3 Ų354.2 Ų54.22%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-123.4130.4-178.1-57.779.3000108.4P115 G116 F134 Y138 L171 I179 Q205 F206P115-I136 HydrophobicContact CB-CG2 3.83Å; P115-I136 HydrophobicContact CG-CG2 3.94Å; G116-I136 WeakPolarHBondContact O-CA 3.28Å; G116-I136 WeakPolarHBondContact O-CG2 3.17Å; F134-I136 HydrophobicContact CB-CD1 3.68Å; I136-Y138 HydrophobicContact CB-CD2 4.42Å; I136-Y138 HydrophobicContact CB-CE2 3.89Å; I136-Y138 HydrophobicContact CG2-CD1 4.44Å; I136-Y138 HydrophobicContact CG2-CD2 3.89Å; I136-Y138 HydrophobicContact CG2-CE1 4Å; I136-Y138 HydrophobicContact CG2-CE2 3.34Å; I136-Y138 HydrophobicContact CG2-CG 4.42Å; I136-Y138 VanDerWaalsContact CG2-CZ 3.41Å; I136-L171 HydrophobicContact CD1-CD2 3.42Å; I136-L171 VanDerWaalsContact CD1-CD2 3.42Å; I136-L171 HydrophobicContact CG1-CD2 3.92Å; I136-I179 HydrophobicContact CG1-CD1 4.09Å; I136-I179 HydrophobicContact CG2-CD1 4.31Å; I136-Q205 WeakPolarHBondContact O-CA 3.28Å; I136-F206 HydrophobicContact CB-CB 4.49Å; I136-F206 HydrophobicContact CD1-CD1 4.26Å; I136-F206 PolarHBondContact N-O 2.88Å; I136-F206 PolarHBondContact O-N 3Å
137D96.9Very high92.7Very high65 Ų6546.1 Ų46.135%0.34827%0.274SS..EExtended strand (participates in β ladder)trans-101.1125.7-178.9-160.2-6.3000110.3P115 G116 P139P115-D137 WeakPolarHBondContact CB-O 3.4Å; G116-D137 PolarHBondContact O-N 3.32Å; D137-P139 VanDerWaalsContact C-CD 3.41Å; D137-P139 WeakPolarHBondContact O-CD 3.49Å
138Y96.1Very high93.1Very high0 Ų054 Ų540%030%0.299CS..  trans-126.660.8-176.1-70.4-67.4000111.7P115 I136 E140 I141 P147 A173 Y176 W199 K204 F206P115-Y138 HydrophobicContact CB-CD1 3.62Å; P115-Y138 HydrophobicContact CB-CE1 3.39Å; P115-Y138 HydrophobicContact CG-CD1 4.31Å; P115-Y138 HydrophobicContact CG-CE1 3.57Å; I136-Y138 HydrophobicContact CB-CD2 4.42Å; I136-Y138 HydrophobicContact CB-CE2 3.89Å; I136-Y138 HydrophobicContact CG2-CD1 4.44Å; I136-Y138 HydrophobicContact CG2-CD2 3.89Å; I136-Y138 HydrophobicContact CG2-CE1 4Å; I136-Y138 HydrophobicContact CG2-CE2 3.34Å; I136-Y138 HydrophobicContact CG2-CG 4.42Å; I136-Y138 VanDerWaalsContact CG2-CZ 3.41Å; Y138-E140 PolarHBondContact O-N 3.02Å; Y138-E140 VanDerWaalsContact O-N 3.09Å; Y138-I141 PolarHBondContact O-N 3.03Å; Y138-P147 HydrophobicContact CD2-CB 4.3Å; Y138-P147 HydrophobicContact CD2-CG 3.57Å; Y138-P147 HydrophobicContact CE2-CB 3.76Å; Y138-P147 HydrophobicContact CE2-CG 3.56Å; Y138-A173 HydrophobicContact CD1-CB 3.94Å; Y138-A173 HydrophobicContact CD2-CB 4.41Å; Y138-A173 HydrophobicContact CE1-CB 3.57Å; Y138-A173 HydrophobicContact CE2-CB 4.09Å; Y138-A173 HydrophobicContact CG-CB 4.33Å; Y138-Y176 HydrophobicContact CD1-CD1 4.44Å; Y138-Y176 AromaticContact CD1-CD2 3.35Å; Y138-Y176 HydrophobicContact CD1-CD2 3.35Å; Y138-Y176 AromaticContact CD1-CE2 3.66Å; Y138-Y176 HydrophobicContact CD1-CE2 3.66Å; Y138-Y176 AromaticContact CD1-CG 3.76Å; Y138-Y176 HydrophobicContact CD1-CG 3.76Å; Y138-Y176 AromaticContact CE1-CD2 3.94Å; Y138-Y176 HydrophobicContact CE1-CD2 3.94Å; Y138-Y176 AromaticContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CG-CD2 4.39Å; Y138-Y176 HydrophobicContact CG-CE2 4.39Å; Y138-W199 HydrophobicContact CD2-CZ3 4.18Å; Y138-K204 PolarHBondContact N-O 3.21Å; Y138-K204 WeakPolarHBondContact O-CB 3.28Å; Y138-K204 WeakPolarHBondContact O-CD 3.37Å; Y138-F206 HydrophobicContact CD2-CB 4.24Å; Y138-F206 HydrophobicContact CE2-CB 4.13Å
139P94.2Very high93.6Very high66 Ų6656 Ų5643%0.42930%0.302SS..THydrogen-bonded Turntrans-58.7-28-172.622.3-33.6000114.3D137 Y176 K204D137-P139 VanDerWaalsContact C-CD 3.41Å; D137-P139 WeakPolarHBondContact O-CD 3.49Å; P139-Y176 WeakPolarHBondContact CD-OH 3.37Å; P139-Y176 WeakPolarHBondContact CG-OH 3.4Å; P139-K204 WeakPolarHBondContact O-CD 3.4Å; P139-K204 WeakPolarHBondContact O-CE 2.96Å; P139-K204 PolarHBondContact O-NZ 2.86Å
140E91.9Very high93.8Very high130 Ų13062.2 Ų62.261%0.60733%0.325SS*.THydrogen-bonded Turntrans-114.531.7-177.2-62.7176.8-134.500113.2I112 Y138 P175 Y176I112-E140 HydrophobicContact CD1-CB 3.65Å; Y138-E140 PolarHBondContact O-N 3.02Å; Y138-E140 VanDerWaalsContact O-N 3.09Å; E140-P175 VanDerWaalsContact O-CD 3.26Å; E140-P175 WeakPolarHBondContact O-CD 3.5Å; E140-Y176 HydrophobicContact CB-CE2 4.49Å; E140-Y176 PolarHBondContact N-OH 3.38Å
141I92Very high93.8Very high18 Ų1860.4 Ų60.49%0.09232%0.316CS..PPolyproline II helixtrans-64.7145.1175.9-162.2170.8000112.4Y138 I145 P147 A173 E174 W199 K204Y138-I141 PolarHBondContact O-N 3.03Å; I141-I145 VanDerWaalsContact CD1-O 3.32Å; I141-I145 WeakPolarHBondContact CD1-O 3.11Å; I141-P147 HydrophobicContact CD1-CG 3.89Å; I141-A173 HydrophobicContact CD1-CB 3.81Å; I141-A173 HydrophobicContact CG1-CB 4.3Å; I141-E174 WeakPolarHBondContact CG1-O 3.49Å; I141-W199 HydrophobicContact CD1-CH2 4.04Å; I141-W199 HydrophobicContact CD1-CZ2 4.02Å; I141-W199 HydrophobicContact CG2-CH2 4.09Å; I141-W199 HydrophobicContact CG2-CZ2 3.99Å; I141-K204 HydrophobicContact CG2-CD 4.28Å
142A89Confident93.8Very high22 Ų2262 Ų6218%0.18232%0.323CS..PPolyproline II helixtrans-63.1141.817500000112.3I145 E174A142-I145 HydrophobicContact CB-CD1 4.01Å; A142-I145 HydrophobicContact CB-CG1 4.41Å; A142-I145 PolarHBondContact O-N 3.47Å; A142-E174 PolarHBondContact N-O 3.16Å; A142-E174 VanDerWaalsContact N-O 3.1Å
143E85.8Confident93.7Very high198 Ų19863.1 Ų63.193%0.92533%0.332SS*.THydrogen-bonded Turntrans-63.2136.4-178.2-64.2-175.717500112.1I145E143-I145 PolarHBondContact O-N 2.95Å
144G85.4Confident93.5Very high93 Ų9362.4 Ų62.496%0.95933%0.329SS*.THydrogen-bonded Turntrans77.6-3.9179.900000115.2
145I87Confident93.1Very high65 Ų6569 Ų6933%0.33336%0.355SS..  trans-101.9132176.5-56.5-176.1000109.8I141 A142 E143 E174I141-I145 VanDerWaalsContact CD1-O 3.32Å; I141-I145 WeakPolarHBondContact CD1-O 3.11Å; A142-I145 HydrophobicContact CB-CD1 4.01Å; A142-I145 HydrophobicContact CB-CG1 4.41Å; A142-I145 PolarHBondContact O-N 3.47Å; E143-I145 PolarHBondContact O-N 2.95Å; I145-E174 HydrophobicContact CD1-CB 4.39Å; I145-E174 VanDerWaalsContact CD1-OE1 3.28Å; I145-E174 WeakPolarHBondContact CD1-OE1 3.27Å
146G91.6Very high92.7Very high30 Ų3070.3 Ų70.331%0.30936%0.361SS..  trans-104.7149.8172.400000111.4
147P95.9Very high92.1Very high14 Ų1471.4 Ų71.49%0.09137%0.366CS..  trans-58.8142.1173.8-25.336.8000112.2Y138 I141 A173 W199 F206Y138-P147 HydrophobicContact CD2-CB 4.3Å; Y138-P147 HydrophobicContact CD2-CG 3.57Å; Y138-P147 HydrophobicContact CE2-CB 3.76Å; Y138-P147 HydrophobicContact CE2-CG 3.56Å; I141-P147 HydrophobicContact CD1-CG 3.89Å; P147-A173 HydrophobicContact CB-CB 4.07Å; P147-A173 HydrophobicContact CG-CB 4.03Å; P147-W199 HydrophobicContact CG-CD2 4.2Å; P147-W199 HydrophobicContact CG-CE3 3.75Å; P147-W199 HydrophobicContact CG-CH2 4.27Å; P147-W199 HydrophobicContact CG-CZ3 3.78Å; P147-F206 HydrophobicContact CB-CB 4.22Å; P147-F206 HydrophobicContact CB-CD1 4.28Å; P147-F206 HydrophobicContact CB-CD2 3.92Å; P147-F206 HydrophobicContact CB-CE2 4.38Å; P147-F206 HydrophobicContact CB-CG 3.87Å; P147-F206 HydrophobicContact CG-CB 4.01Å; P147-F206 HydrophobicContact CG-CD2 4.17Å; P147-F206 HydrophobicContact CG-CG 4.14Å
148R95.9Very high91.7Very high195 Ų19580 Ų8074%0.73639%0.394SS*.EExtended strand (participates in β ladder)trans-117151.5176.5-65.1-178.9178.4-980.4109.9L171 A172R148-L171 WeakPolarHBondContact O-CA 3.48Å; R148-A172 PolarHBondContact N-O 3.46Å; R148-A172 PolarHBondContact O-N 3.36Å
149H96.2Very high91.3Very high65 Ų6587.7 Ų87.730%0.30143%0.433SS..EExtended strand (participates in β ladder)trans-131154.6177.969.4-81.3000111.4L169 L170 L171 F195 L208H149-L169 HydrophobicContact CB-CD1 4.29Å; H149-L170 CarbonylContact C-O 3.53Å; H149-L170 WeakPolarHBondContact CA-O 3.49Å; H149-L171 HydrophobicContact CB-CG 4.32Å; H149-F195 AromaticContact NE2-CE1 3.95Å; H149-F195 AromaticContact NE2-CZ 3.68Å; H149-L208 HydrophobicContact CB-CD1 3.73Å; H149-L208 VanDerWaalsContact CG-CD1 3.46Å
150R95.6Very high91.1Very high144 Ų14488.8 Ų88.854%0.54343%0.433SS..EExtended strand (participates in β ladder)trans-153.1139.9174.3172.7174.8170.8-174.5-2.6110.4E156 L170R150-E156 IonicContact CZ-OE2 3.13Å; R150-E156 IonicContact NH2-OE2 3.84Å; R150-E156 PolarHBondContact NH2-OE2 3.1Å; R150-L170 PolarHBondContact N-O 2.9Å; R150-L170 PolarHBondContact O-N 3.43Å
151F95.1Very high91Very high57 Ų5787.9 Ų87.925%0.2544%0.438CS..EExtended strand (participates in β ladder)trans-84.9132.2164.1-69.8-92.5000109.9Y168 L169 I188 F195 F210F151-Y168 WeakPolarHBondContact CA-O 3.1Å; F151-L169 HydrophobicContact CD1-CB 4.39Å; F151-L169 HydrophobicContact CD1-CD1 4.4Å; F151-L169 HydrophobicContact CD2-CD1 4.24Å; F151-L169 HydrophobicContact CE1-CB 4.14Å; F151-L169 HydrophobicContact CE1-CD1 4.08Å; F151-L169 HydrophobicContact CE2-CD1 3.9Å; F151-L169 HydrophobicContact CG-CD1 4.48Å; F151-L169 HydrophobicContact CZ-CD1 3.82Å; F151-I188 HydrophobicContact CD1-CD1 3.98Å; F151-I188 HydrophobicContact CE1-CD1 3.33Å; F151-I188 HydrophobicContact CE2-CD1 4.15Å; F151-I188 HydrophobicContact CZ-CD1 3.42Å; F151-I188 VanDerWaalsContact CZ-CD1 3.42Å; F151-F195 AromaticContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CZ 4.09Å; F151-F195 HydrophobicContact CZ-CE2 4.18Å; F151-F210 HydrophobicContact CE1-CE1 4.17Å; F151-F210 HydrophobicContact CE1-CZ 4.2Å; F151-F210 AromaticContact CZ-CD1 3.98Å; F151-F210 HydrophobicContact CZ-CD1 3.98Å; F151-F210 AromaticContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CG 4.5Å; F151-F210 HydrophobicContact CZ-CZ 4.26Å
152M94.6Very high91.1Very high37 Ų3790.6 Ų90.618%0.18246%0.456CS..EExtended strand (participates in β ladder)trans-124.6138.3-179.1-179.4179.8-71.300109E156 Q157 Y168 L170M152-E156 HydrophobicContact CG-CB 3.46Å; M152-E156 VanDerWaalsContact CG-CB 3.46Å; M152-E156 HydrophobicContact CG-CG 4.21Å; M152-E156 HydrophobicContact SD-CB 3.86Å; M152-Q157 HydrophobicContact SD-CB 4.26Å; M152-Y168 PolarHBondContact N-O 3.41Å; M152-Y168 PolarHBondContact O-N 3.02Å; M152-L170 HydrophobicContact CB-CD1 3.32Å; M152-L170 HydrophobicContact CE-CD1 3.97Å; M152-L170 HydrophobicContact CE-CD2 3.47Å; M152-L170 VanDerWaalsContact CE-CD2 3.47Å; M152-L170 HydrophobicContact CE-CG 4.4Å; M152-L170 HydrophobicContact CG-CD1 4.19Å; M152-L170 HydrophobicContact SD-CD1 3.94Å; M152-L170 HydrophobicContact SD-CD2 4.2Å
153S94Very high91.3Very high41 Ų4191.3 Ų91.329%0.28746%0.457SS..EExtended strand (participates in β ladder)trans-74157.1175.568.90000111.5Y155 E156S153-Y155 PolarHBondContact O-N 3.34Å; S153-Y155 VanDerWaalsContact O-N 3.12Å; S153-E156 WeakPolarHBondContact CB-OE1 3.48Å; S153-E156 PolarHBondContact N-OE1 3.08Å; S153-E156 PolarHBondContact O-N 3.41Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CG 3.36Å; S153-E156 PolarHBondContact OG-OE1 2.93Å
154A92.6Very high91.6Very high2 Ų290.9 Ų90.92%0.01745%0.447CS..THydrogen-bonded Turntrans-63.9-16.3178.200000114.8Q157 D163 Y168A154-Q157 PolarHBondContact O-NE2 2.83Å; A154-D163 WeakPolarHBondContact CB-O 3.48Å; A154-Y168 HydrophobicContact CB-CE2 3.97Å
155Y90.1Very high91.9Very high143 Ų14395 Ų9556%0.56143%0.434SS*.THydrogen-bonded Turntrans-82.4-19.8177.3-66.2-73.5000113.9S153 P162 R164S153-Y155 PolarHBondContact O-N 3.34Å; S153-Y155 VanDerWaalsContact O-N 3.12Å; Y155-P162 HydrophobicContact CD1-CB 3.6Å; Y155-P162 HydrophobicContact CD1-CG 4.17Å; Y155-P162 HydrophobicContact CE1-CB 3.86Å; Y155-P162 HydrophobicContact CG-CB 4.31Å; Y155-R164 HydrophobicContact CE2-CG 3.67Å; Y155-R164 WeakPolarHBondContact OH-CD 3.41Å; Y155-R164 WeakPolarHBondContact OH-CG 3.49Å
156E88.7Confident92.3Very high88 Ų8896.1 Ų96.141%0.41143%0.434SS..THydrogen-bonded Turntrans-81.4-27.6-178.9-75.2166.1-105.800112.4R150 M152 S153R150-E156 IonicContact CZ-OE2 3.13Å; R150-E156 IonicContact NH2-OE2 3.84Å; R150-E156 PolarHBondContact NH2-OE2 3.1Å; M152-E156 HydrophobicContact CG-CB 3.46Å; M152-E156 VanDerWaalsContact CG-CB 3.46Å; M152-E156 HydrophobicContact CG-CG 4.21Å; M152-E156 HydrophobicContact SD-CB 3.86Å; S153-E156 WeakPolarHBondContact CB-OE1 3.48Å; S153-E156 PolarHBondContact N-OE1 3.08Å; S153-E156 PolarHBondContact O-N 3.41Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CG 3.36Å; S153-E156 PolarHBondContact OG-OE1 2.93Å
157Q86Confident92.5Very high27 Ų2797.3 Ų97.313%0.12643%0.431CS..  trans-84.3151.7179.368.476.435.500111.7M152 A154 E160 Y168M152-Q157 HydrophobicContact SD-CB 4.26Å; A154-Q157 PolarHBondContact O-NE2 2.83Å; Q157-E160 PolarHBondContact NE2-O 2.82Å; Q157-Y168 HydrophobicContact CG-CD2 3.96Å; Q157-Y168 HydrophobicContact CG-CE2 3.73Å
158R87.9Confident92.5Very high246 Ų24697.6 Ų97.693%0.92843%0.431SS*.SBendtrans-117.18.8-174.4-60.9-178.3179.4178.4-1.6114
159I88.6Confident92.5Very high161 Ų16188.3 Ų88.383%0.82640%0.396SS*.SBendtrans-91.5-53.3-172.5-58174.2000110.1
160E88.4Confident92.5Very high89 Ų8986.9 Ų86.942%0.41639%0.39SS..SBendtrans-103.6159.4178.2-66.7-175.6-175.300110.9Q157 Y168 K182Q157-E160 PolarHBondContact NE2-O 2.82Å; E160-Y168 PolarHBondContact OE2-OH 3.33Å; E160-K182 IonicContact OE2-NZ 3.68Å; E160-K182 PolarHBondContact OE2-NZ 3.47Å
161P91.7Very high92.6Very high111 Ų11180 Ų8072%0.72136%0.364SS*.PPolyproline II helixtrans-56.5136.1166.2-24.234.8000111.4D163P161-D163 PolarHBondContact O-N 2.91Å
162P92.6Very high92.6Very high74 Ų7479.1 Ų79.148%0.48137%0.367SS..PPolyproline II helixtrans-61.9122.4179.8-25.534.9000113Y155Y155-P162 HydrophobicContact CD1-CB 3.6Å; Y155-P162 HydrophobicContact CD1-CG 4.17Å; Y155-P162 HydrophobicContact CE1-CB 3.86Å; Y155-P162 HydrophobicContact CG-CB 4.31Å
163D92.9Very high92.6Very high38 Ų3877.7 Ų77.720%0.20336%0.361CS..  trans-122.9115.3172-176.6-10.4000110.6A154 P161 R165 W166A154-D163 WeakPolarHBondContact CB-O 3.48Å; P161-D163 PolarHBondContact O-N 2.91Å; D163-R165 PolarHBondContact O-N 3.18Å; D163-R165 VanDerWaalsContact O-N 3.16Å; D163-R165 WeakPolarHBondContact OD1-CB 3.48Å; D163-R165 WeakPolarHBondContact OD1-CG 3.39Å; D163-R165 IonicContact OD1-CZ 2.77Å; D163-R165 PolarHBondContact OD1-N 3.45Å; D163-R165 IonicContact OD1-NE 3.94Å; D163-R165 PolarHBondContact OD1-NE 3.03Å; D163-R165 VanDerWaalsContact OD1-NE 3.13Å; D163-R165 IonicContact OD1-NH2 3.99Å; D163-R165 IonicContact OD2-CZ 3.34Å; D163-R165 IonicContact OD2-NE 2.76Å; D163-R165 PolarHBondContact OD2-NE 2.96Å; D163-R165 VanDerWaalsContact OD2-NE 3.14Å; D163-R165 IonicContact OD2-NH2 3.38Å; D163-R165 PolarHBondContact OD2-NH2 3.26Å; D163-W166 PolarHBondContact O-N 3.23Å; D163-W166 VanDerWaalsContact O-N 3.15Å; D163-W166 PolarHBondContact OD2-NE1 3.04Å
164R92.5Very high92.5Very high189 Ų18978.2 Ų78.271%0.71336%0.359SS*.THydrogen-bonded Turntrans-63-19.7-177.6-60.4-176.477.8174.1-1.5114.2Y155 W166 S185Y155-R164 HydrophobicContact CE2-CG 3.67Å; Y155-R164 WeakPolarHBondContact OH-CD 3.41Å; Y155-R164 WeakPolarHBondContact OH-CG 3.49Å; R164-W166 PolarHBondContact O-N 3.47Å; R164-S185 WeakPolarHBondContact O-CB 3.43Å
165R93.2Very high92.5Very high179 Ų17979 Ų7968%0.67536%0.364SS*.THydrogen-bonded Turntrans-70.4-12.3178.7-64175.7-65.4-1782.7112.2D163 S185D163-R165 PolarHBondContact O-N 3.18Å; D163-R165 VanDerWaalsContact O-N 3.16Å; D163-R165 WeakPolarHBondContact OD1-CB 3.48Å; D163-R165 WeakPolarHBondContact OD1-CG 3.39Å; D163-R165 IonicContact OD1-CZ 2.77Å; D163-R165 PolarHBondContact OD1-N 3.45Å; D163-R165 IonicContact OD1-NE 3.94Å; D163-R165 PolarHBondContact OD1-NE 3.03Å; D163-R165 VanDerWaalsContact OD1-NE 3.13Å; D163-R165 IonicContact OD1-NH2 3.99Å; D163-R165 IonicContact OD2-CZ 3.34Å; D163-R165 IonicContact OD2-NE 2.76Å; D163-R165 PolarHBondContact OD2-NE 2.96Å; D163-R165 VanDerWaalsContact OD2-NE 3.14Å; D163-R165 IonicContact OD2-NH2 3.38Å; D163-R165 PolarHBondContact OD2-NH2 3.26Å; R165-S185 WeakPolarHBondContact O-CB 3.31Å; R165-S185 PolarHBondContact O-N 3.44Å
166W94.2Very high92.7Very high88 Ų8873.1 Ų73.133%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-123.1149.7-175.8-55.699.6000111.8D163 R164 K182 V183 P184D163-W166 PolarHBondContact O-N 3.23Å; D163-W166 VanDerWaalsContact O-N 3.15Å; D163-W166 PolarHBondContact OD2-NE1 3.04Å; R164-W166 PolarHBondContact O-N 3.47Å; W166-K182 HydrophobicContact CB-CG 3.94Å; W166-K182 VanDerWaalsContact CD1-CE 3.49Å; W166-K182 HydrophobicContact CD2-CD 4.23Å; W166-K182 HydrophobicContact CD2-CG 3.91Å; W166-K182 HydrophobicContact CE3-CD 4.47Å; W166-K182 HydrophobicContact CE3-CG 3.78Å; W166-K182 HydrophobicContact CG-CD 4.22Å; W166-K182 HydrophobicContact CG-CG 3.97Å; W166-V183 CarbonylContact C-O 3.58Å; W166-V183 WeakPolarHBondContact CA-O 3.43Å; W166-P184 HydrophobicContact CE3-CG 4.4Å; W166-P184 HydrophobicContact CZ3-CB 4.4Å; W166-P184 HydrophobicContact CZ3-CG 3.8Å
167Q95.1Very high93Very high55 Ų5572.4 Ų72.426%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-123.2161.9166.1-70.7177.5-1000108.1V183 S185Q167-V183 PolarHBondContact N-O 3.02Å; Q167-V183 PolarHBondContact O-N 3.18Å; Q167-V183 VanDerWaalsContact O-O 3.08Å; Q167-S185 WeakPolarHBondContact CG-OG 3.35Å; Q167-S185 PolarHBondContact NE2-OG 3.41Å; Q167-S185 VanDerWaalsContact NE2-OG 3.09Å
168Y95.7Very high93.4Very high21 Ų2174.9 Ų74.98%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-116.7120.8178.4-64.5-83.2000109.5F151 M152 A154 Q157 E160 L170 F181 K182F151-Y168 WeakPolarHBondContact CA-O 3.1Å; M152-Y168 PolarHBondContact N-O 3.41Å; M152-Y168 PolarHBondContact O-N 3.02Å; A154-Y168 HydrophobicContact CB-CE2 3.97Å; Q157-Y168 HydrophobicContact CG-CD2 3.96Å; Q157-Y168 HydrophobicContact CG-CE2 3.73Å; E160-Y168 PolarHBondContact OE2-OH 3.33Å; Y168-L170 WeakPolarHBondContact O-CD1 3.39Å; Y168-F181 CarbonylContact C-O 3.6Å; Y168-F181 VanDerWaalsContact CA-O 3.31Å; Y168-F181 WeakPolarHBondContact CA-O 3.31Å; Y168-K182 HydrophobicContact CD1-CB 4.19Å; Y168-K182 HydrophobicContact CD1-CG 4.41Å; Y168-K182 HydrophobicContact CE1-CB 3.83Å; Y168-K182 HydrophobicContact CE1-CD 4.08Å; Y168-K182 HydrophobicContact CE1-CG 3.74Å; Y168-K182 WeakPolarHBondContact OH-CE 3.42Å
169L96.4Very high93.8Very high0 Ų063.7 Ų63.70%031%0.313CS..EExtended strand (participates in β ladder)trans-86.3111.4168.3172.164.1000108.1F134 H149 F151 L171 A180 F181 V183 L208 F210F134-L169 HydrophobicContact CD1-CD2 4.37Å; F134-L169 HydrophobicContact CD2-CD2 3.87Å; F134-L169 HydrophobicContact CE1-CD2 4.27Å; F134-L169 HydrophobicContact CE2-CD2 3.75Å; F134-L169 HydrophobicContact CG-CD2 4.2Å; F134-L169 HydrophobicContact CZ-CD2 3.95Å; H149-L169 HydrophobicContact CB-CD1 4.29Å; F151-L169 HydrophobicContact CD1-CB 4.39Å; F151-L169 HydrophobicContact CD1-CD1 4.4Å; F151-L169 HydrophobicContact CD2-CD1 4.24Å; F151-L169 HydrophobicContact CE1-CB 4.14Å; F151-L169 HydrophobicContact CE1-CD1 4.08Å; F151-L169 HydrophobicContact CE2-CD1 3.9Å; F151-L169 HydrophobicContact CG-CD1 4.48Å; F151-L169 HydrophobicContact CZ-CD1 3.82Å; L169-L171 HydrophobicContact CD2-CD1 4.02Å; L169-L171 HydrophobicContact CG-CD1 3.79Å; L169-A180 CarbonylContact O-C 3.59Å; L169-A180 VanDerWaalsContact O-CA 3.29Å; L169-A180 WeakPolarHBondContact O-CA 3.41Å; L169-F181 HydrophobicContact CB-CB 4.43Å; L169-F181 PolarHBondContact N-O 3.46Å; L169-F181 PolarHBondContact O-N 3.17Å; L169-V183 HydrophobicContact CB-CG2 4.21Å; L169-L208 HydrophobicContact CD1-CD1 4.17Å; L169-L208 HydrophobicContact CD2-CD1 4.34Å; L169-L208 HydrophobicContact CD2-CD2 3.7Å; L169-F210 HydrophobicContact CD2-CE1 4.14Å
170L96.9Very high94.1Very high34 Ų3459 Ų5918%0.17830%0.298CS..EExtended strand (participates in β ladder)trans-91.9139175.3-71.876.8000109.8H149 R150 M152 Y168 T178 I179 A180H149-L170 CarbonylContact C-O 3.53Å; H149-L170 WeakPolarHBondContact CA-O 3.49Å; R150-L170 PolarHBondContact N-O 2.9Å; R150-L170 PolarHBondContact O-N 3.43Å; M152-L170 HydrophobicContact CB-CD1 3.32Å; M152-L170 HydrophobicContact CE-CD1 3.97Å; M152-L170 HydrophobicContact CE-CD2 3.47Å; M152-L170 VanDerWaalsContact CE-CD2 3.47Å; M152-L170 HydrophobicContact CE-CG 4.4Å; M152-L170 HydrophobicContact CG-CD1 4.19Å; M152-L170 HydrophobicContact SD-CD1 3.94Å; M152-L170 HydrophobicContact SD-CD2 4.2Å; Y168-L170 WeakPolarHBondContact O-CD1 3.39Å; L170-T178 HydrophobicContact CB-CG2 4.23Å; L170-T178 HydrophobicContact CD2-CG2 4.09Å; L170-T178 HydrophobicContact CG-CG2 4.43Å; L170-I179 CarbonylContact C-O 3.49Å; L170-I179 VanDerWaalsContact CA-O 3.31Å; L170-I179 WeakPolarHBondContact CA-O 3.31Å; L170-A180 HydrophobicContact CG-CB 4.26Å
171L97.1Very high94.5Very high0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-126.3132.6167.2-63.291.6000109.5I136 R148 H149 L169 T178 I179 F181 F206I136-L171 HydrophobicContact CD1-CD2 3.42Å; I136-L171 VanDerWaalsContact CD1-CD2 3.42Å; I136-L171 HydrophobicContact CG1-CD2 3.92Å; R148-L171 WeakPolarHBondContact O-CA 3.48Å; H149-L171 HydrophobicContact CB-CG 4.32Å; L169-L171 HydrophobicContact CD2-CD1 4.02Å; L169-L171 HydrophobicContact CG-CD1 3.79Å; L171-T178 WeakPolarHBondContact O-CA 2.96Å; L171-T178 WeakPolarHBondContact O-CG2 3.44Å; L171-I179 HydrophobicContact CB-CD1 4.43Å; L171-I179 HydrophobicContact CB-CG1 3.97Å; L171-I179 HydrophobicContact CD1-CG1 4.5Å; L171-I179 PolarHBondContact N-O 3.37Å; L171-I179 PolarHBondContact O-N 3.39Å; L171-F181 HydrophobicContact CD1-CD2 3.68Å; L171-F181 HydrophobicContact CD1-CE2 3.73Å; L171-F206 HydrophobicContact CD2-CD1 3.58Å; L171-F206 HydrophobicContact CD2-CE1 3.57Å
172A95.5Very high94.6Very high38 Ų3855 Ų5531%0.31427%0.268SS..EExtended strand (participates in β ladder)trans-134130.8-178.500000110.1R148 T178R148-A172 PolarHBondContact N-O 3.46Å; R148-A172 PolarHBondContact O-N 3.36Å; A172-T178 HydrophobicContact CB-CG2 4.13Å
173A94.1Very high94.7Very high7 Ų751.6 Ų51.66%0.05825%0.246CC..  trans-144.8137.516900000107.4Y138 I141 P147 Y176Y138-A173 HydrophobicContact CD1-CB 3.94Å; Y138-A173 HydrophobicContact CD2-CB 4.41Å; Y138-A173 HydrophobicContact CE1-CB 3.57Å; Y138-A173 HydrophobicContact CE2-CB 4.09Å; Y138-A173 HydrophobicContact CG-CB 4.33Å; I141-A173 HydrophobicContact CD1-CB 3.81Å; I141-A173 HydrophobicContact CG1-CB 4.3Å; P147-A173 HydrophobicContact CB-CB 4.07Å; P147-A173 HydrophobicContact CG-CB 4.03Å; A173-Y176 CarbonylContact O-C 3.54Å; A173-Y176 WeakPolarHBondContact O-CA 3.43Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-Y176 PolarHBondContact O-N 3.08Å; A173-Y176 VanDerWaalsContact O-O 3.12Å
174E91.4Very high94.8Very high52 Ų5251.8 Ų51.824%0.24325%0.25CC..THydrogen-bonded Turntrans-85.7137178.1-170.3-179.685.600109.7F109 I141 A142 I145F109-E174 HydrophobicContact CB-CG 4.1Å; F109-E174 HydrophobicContact CD2-CG 3.65Å; F109-E174 WeakPolarHBondContact CD2-OE1 3.14Å; F109-E174 WeakPolarHBondContact CD2-OE2 3.28Å; F109-E174 HydrophobicContact CE2-CG 4.23Å; F109-E174 WeakPolarHBondContact CE2-OE1 3.32Å; F109-E174 HydrophobicContact CG-CG 3.92Å; F109-E174 VanDerWaalsContact CZ-OE1 3.28Å; F109-E174 WeakPolarHBondContact CZ-OE1 3.36Å; I141-E174 WeakPolarHBondContact CG1-O 3.49Å; A142-E174 PolarHBondContact N-O 3.16Å; A142-E174 VanDerWaalsContact N-O 3.1Å; I145-E174 HydrophobicContact CD1-CB 4.39Å; I145-E174 VanDerWaalsContact CD1-OE1 3.28Å; I145-E174 WeakPolarHBondContact CD1-OE1 3.27Å
175P93.1Very high94.9Very high18 Ų1845.2 Ų45.212%0.11723%0.232CC..THydrogen-bonded Turncis-94.5158.935.7-32.9000114.8F109 K111 I112 E140F109-P175 HydrophobicContact CB-CB 4.19Å; K111-P175 WeakPolarHBondContact CA-O 3.4Å; I112-P175 HydrophobicContact CD1-CG 3.74Å; I112-P175 HydrophobicContact CG1-CB 4.49Å; I112-P175 HydrophobicContact CG1-CG 3.91Å; I112-P175 HydrophobicContact CG2-CB 4.38Å; I112-P175 HydrophobicContact CG2-CG 3.99Å; I112-P175 PolarHBondContact N-O 3.26Å; E140-P175 VanDerWaalsContact O-CD 3.26Å; E140-P175 WeakPolarHBondContact O-CD 3.5Å
176Y95.1Very high94.8Very high21 Ų2139.7 Ų39.78%0.08221%0.212CC..BIsolated β-bridgetrans-71.2157.1-179-69.8-88000113.2I112 G113 P115 Y138 P139 E140 A173I112-Y176 HydrophobicContact CD1-CD1 3.94Å; I112-Y176 HydrophobicContact CD1-CD2 4.05Å; I112-Y176 HydrophobicContact CD1-CE1 3.52Å; I112-Y176 HydrophobicContact CD1-CE2 3.68Å; I112-Y176 HydrophobicContact CD1-CG 4.2Å; I112-Y176 HydrophobicContact CG1-CD1 3.88Å; I112-Y176 HydrophobicContact CG1-CD2 4.49Å; I112-Y176 HydrophobicContact CG1-CE1 3.89Å; I112-Y176 HydrophobicContact CG1-CG 4.2Å; G113-Y176 WeakPolarHBondContact O-CA 3.48Å; P115-Y176 HydrophobicContact CB-CD1 3.79Å; P115-Y176 HydrophobicContact CB-CE1 4.17Å; P115-Y176 HydrophobicContact CB-CG 4.15Å; P115-Y176 HydrophobicContact CG-CD1 4.46Å; Y138-Y176 HydrophobicContact CD1-CD1 4.44Å; Y138-Y176 AromaticContact CD1-CD2 3.35Å; Y138-Y176 HydrophobicContact CD1-CD2 3.35Å; Y138-Y176 AromaticContact CD1-CE2 3.66Å; Y138-Y176 HydrophobicContact CD1-CE2 3.66Å; Y138-Y176 AromaticContact CD1-CG 3.76Å; Y138-Y176 HydrophobicContact CD1-CG 3.76Å; Y138-Y176 AromaticContact CE1-CD2 3.94Å; Y138-Y176 HydrophobicContact CE1-CD2 3.94Å; Y138-Y176 AromaticContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CE1-CG 3.97Å; Y138-Y176 HydrophobicContact CG-CD2 4.39Å; Y138-Y176 HydrophobicContact CG-CE2 4.39Å; P139-Y176 WeakPolarHBondContact CD-OH 3.37Å; P139-Y176 WeakPolarHBondContact CG-OH 3.4Å; E140-Y176 HydrophobicContact CB-CE2 4.49Å; E140-Y176 PolarHBondContact N-OH 3.38Å; A173-Y176 CarbonylContact O-C 3.54Å; A173-Y176 WeakPolarHBondContact O-CA 3.43Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-Y176 PolarHBondContact O-N 3.08Å; A173-Y176 VanDerWaalsContact O-O 3.12Å
177E93.9Very high94.7Very high73 Ų7341.8 Ų41.834%0.34123%0.225SC..PPolyproline II helixtrans-66.4142.9167.3-67.6-169.6160.200110.9K111 G113 R114 I179K111-E177 HydrophobicContact CD-CG 4.27Å; G113-E177 PolarHBondContact O-N 3.12Å; R114-E177 HydrophobicContact CG-CB 4.24Å; R114-E177 VanDerWaalsContact CG-OE2 3.28Å; R114-E177 WeakPolarHBondContact CG-OE2 3.37Å; R114-E177 IonicContact NE-OE2 3.74Å; R114-E177 PolarHBondContact NE-OE2 2.9Å; E177-I179 PolarHBondContact O-N 3.04Å
178T94.9Very high94.6Very high78 Ų7840.3 Ų40.348%0.47922%0.219SC..PPolyproline II helixtrans-65.3124.5170.7-55.40000109.5L170 L171 A172L170-T178 HydrophobicContact CB-CG2 4.23Å; L170-T178 HydrophobicContact CD2-CG2 4.09Å; L170-T178 HydrophobicContact CG-CG2 4.43Å; L171-T178 WeakPolarHBondContact O-CA 2.96Å; L171-T178 WeakPolarHBondContact O-CG2 3.44Å; A172-T178 HydrophobicContact CB-CG2 4.13Å
179I95.4Very high94.3Very high12 Ų1240.7 Ų40.76%0.06222%0.222CC..EExtended strand (participates in β ladder)trans-100151.1173.458.7169.9000110P115 Y117 I136 L170 L171 E177 F181P115-I179 HydrophobicContact CG-CD1 4Å; P115-I179 HydrophobicContact CG-CG1 4.37Å; P115-I179 HydrophobicContact CG-CG2 3.93Å; Y117-I179 HydrophobicContact CD1-CD1 4.49Å; I136-I179 HydrophobicContact CG1-CD1 4.09Å; I136-I179 HydrophobicContact CG2-CD1 4.31Å; L170-I179 CarbonylContact C-O 3.49Å; L170-I179 VanDerWaalsContact CA-O 3.31Å; L170-I179 WeakPolarHBondContact CA-O 3.31Å; L171-I179 HydrophobicContact CB-CD1 4.43Å; L171-I179 HydrophobicContact CB-CG1 3.97Å; L171-I179 HydrophobicContact CD1-CG1 4.5Å; L171-I179 PolarHBondContact N-O 3.37Å; L171-I179 PolarHBondContact O-N 3.39Å; E177-I179 PolarHBondContact O-N 3.04Å; I179-F181 HydrophobicContact CD1-CE2 3.62Å; I179-F181 HydrophobicContact CD1-CZ 3.82Å; I179-F181 HydrophobicContact CG1-CE2 4.29Å
180A95.9Very high93.9Very high61 Ų6149.4 Ų49.450%0.50426%0.26SS..EExtended strand (participates in β ladder)trans-131.5134.9177.200000110.5L169 L170L169-A180 CarbonylContact O-C 3.59Å; L169-A180 VanDerWaalsContact O-CA 3.29Å; L169-A180 WeakPolarHBondContact O-CA 3.41Å; L170-A180 HydrophobicContact CG-CB 4.26Å
181F96Very high93.6Very high26 Ų2649.7 Ų49.711%0.11427%0.267CS..EExtended strand (participates in β ladder)trans-109.2128.6174.2-64.8-77.3000110.2Y117 V119 F134 Y168 L169 L171 I179 V183Y117-F181 HydrophobicContact CD1-CZ 4.23Å; Y117-F181 AromaticContact CD2-CE1 3.62Å; Y117-F181 HydrophobicContact CD2-CE1 3.62Å; Y117-F181 AromaticContact CD2-CZ 3.7Å; Y117-F181 HydrophobicContact CD2-CZ 3.7Å; Y117-F181 AromaticContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CE1 3.74Å; Y117-F181 HydrophobicContact CE2-CZ 4.25Å; Y117-F181 HydrophobicContact CG-CE1 4.06Å; Y117-F181 AromaticContact CG-CZ 3.69Å; Y117-F181 HydrophobicContact CG-CZ 3.69Å; V119-F181 HydrophobicContact CG2-CD1 4.06Å; V119-F181 HydrophobicContact CG2-CE1 3.61Å; V119-F181 HydrophobicContact CG2-CZ 4.07Å; F134-F181 HydrophobicContact CD1-CD1 4.31Å; F134-F181 AromaticContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CD2 3.6Å; F134-F181 HydrophobicContact CD1-CE1 4.38Å; F134-F181 AromaticContact CD1-CE2 3.67Å; F134-F181 HydrophobicContact CD1-CE2 3.67Å; F134-F181 AromaticContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CG 3.93Å; F134-F181 HydrophobicContact CD1-CZ 4.08Å; F134-F181 HydrophobicContact CE1-CB 3.7Å; F134-F181 AromaticContact CE1-CD1 3.84Å; F134-F181 HydrophobicContact CE1-CD1 3.84Å; F134-F181 AromaticContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CD2 3.54Å; F134-F181 HydrophobicContact CE1-CE1 4.34Å; F134-F181 HydrophobicContact CE1-CE2 4.05Å; F134-F181 AromaticContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CG 3.41Å; F134-F181 VanDerWaalsContact CE1-CG 3.41Å; F134-F181 HydrophobicContact CE1-CZ 4.43Å; F134-F181 HydrophobicContact CZ-CB 4.25Å; F134-F181 HydrophobicContact CZ-CG 4.4Å; Y168-F181 CarbonylContact C-O 3.6Å; Y168-F181 VanDerWaalsContact CA-O 3.31Å; Y168-F181 WeakPolarHBondContact CA-O 3.31Å; L169-F181 HydrophobicContact CB-CB 4.43Å; L169-F181 PolarHBondContact N-O 3.46Å; L169-F181 PolarHBondContact O-N 3.17Å; L171-F181 HydrophobicContact CD1-CD2 3.68Å; L171-F181 HydrophobicContact CD1-CE2 3.73Å; I179-F181 HydrophobicContact CD1-CE2 3.62Å; I179-F181 HydrophobicContact CD1-CZ 3.82Å; I179-F181 HydrophobicContact CG1-CE2 4.29Å; F181-V183 HydrophobicContact CB-CG2 4.37Å; F181-V183 PolarHBondContact O-N 2.81Å
182K95.1Very high92.9Very high91 Ų9158.3 Ų58.340%0.39631%0.308SS..EExtended strand (participates in β ladder)trans-75.9116.2173.1-165170.1-170160.20109.3E160 W166 Y168E160-K182 IonicContact OE2-NZ 3.68Å; E160-K182 PolarHBondContact OE2-NZ 3.47Å; W166-K182 HydrophobicContact CB-CG 3.94Å; W166-K182 VanDerWaalsContact CD1-CE 3.49Å; W166-K182 HydrophobicContact CD2-CD 4.23Å; W166-K182 HydrophobicContact CD2-CG 3.91Å; W166-K182 HydrophobicContact CE3-CD 4.47Å; W166-K182 HydrophobicContact CE3-CG 3.78Å; W166-K182 HydrophobicContact CG-CD 4.22Å; W166-K182 HydrophobicContact CG-CG 3.97Å; Y168-K182 HydrophobicContact CD1-CB 4.19Å; Y168-K182 HydrophobicContact CD1-CG 4.41Å; Y168-K182 HydrophobicContact CE1-CB 3.83Å; Y168-K182 HydrophobicContact CE1-CD 4.08Å; Y168-K182 HydrophobicContact CE1-CG 3.74Å; Y168-K182 WeakPolarHBondContact OH-CE 3.42Å
183V95.2Very high92.4Very high2 Ų261 Ų611%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-122.9140-174.6179.60000108.8L132 F134 W166 Q167 L169 F181 S185 F210 F212L132-V183 HydrophobicContact CD1-CG1 3.94Å; L132-V183 HydrophobicContact CD1-CG2 4.34Å; F134-V183 HydrophobicContact CZ-CG2 4.25Å; W166-V183 CarbonylContact C-O 3.58Å; W166-V183 WeakPolarHBondContact CA-O 3.43Å; Q167-V183 PolarHBondContact N-O 3.02Å; Q167-V183 PolarHBondContact O-N 3.18Å; Q167-V183 VanDerWaalsContact O-O 3.08Å; L169-V183 HydrophobicContact CB-CG2 4.21Å; F181-V183 HydrophobicContact CB-CG2 4.37Å; F181-V183 PolarHBondContact O-N 2.81Å; V183-S185 PolarHBondContact O-N 2.79Å; V183-F210 HydrophobicContact CG1-CE2 4.05Å; V183-F210 HydrophobicContact CG1-CZ 3.75Å; V183-F210 HydrophobicContact CG2-CZ 4.33Å; V183-F212 HydrophobicContact CG1-CE1 3.98Å; V183-F212 HydrophobicContact CG1-CZ 3.7Å
184P94.7Very high92.2Very high43 Ų4364.3 Ų64.328%0.27934%0.335SS..EExtended strand (participates in β ladder)trans-54137.5173.4-24.833.5000111.5W166 R186 F212W166-P184 HydrophobicContact CE3-CG 4.4Å; W166-P184 HydrophobicContact CZ3-CB 4.4Å; W166-P184 HydrophobicContact CZ3-CG 3.8Å; P184-R186 HydrophobicContact CB-CG 4.27Å; P184-R186 PolarHBondContact O-N 3.41Å; P184-F212 HydrophobicContact CG-CZ 4.43Å
185S93.1Very high92.3Very high50 Ų5064.3 Ų64.335%0.3533%0.334SS..  trans-74.737.3179.1-171.40000113.2R164 R165 Q167 V183R164-S185 WeakPolarHBondContact O-CB 3.43Å; R165-S185 WeakPolarHBondContact O-CB 3.31Å; R165-S185 PolarHBondContact O-N 3.44Å; Q167-S185 WeakPolarHBondContact CG-OG 3.35Å; Q167-S185 PolarHBondContact NE2-OG 3.41Å; Q167-S185 VanDerWaalsContact NE2-OG 3.09Å; V183-S185 PolarHBondContact O-N 2.79Å
186R92.7Very high92.4Very high64 Ų6467.5 Ų67.524%0.24234%0.344CS..PPolyproline II helixtrans-80.3151.6175.5-71.8173.262.7-169.6-4.9109.8P184 I188 F212 K213 E215P184-R186 HydrophobicContact CB-CG 4.27Å; P184-R186 PolarHBondContact O-N 3.41Å; R186-I188 PolarHBondContact O-N 3.12Å; R186-F212 HydrophobicContact CB-CD1 3.57Å; R186-F212 HydrophobicContact CB-CE1 4.03Å; R186-F212 HydrophobicContact CB-CG 4.33Å; R186-K213 PolarHBondContact NH2-O 2.95Å; R186-E215 IonicContact NE-OE1 2.72Å
187E91.4Very high92.5Very high131 Ų13169.5 Ų69.561%0.61236%0.359SS*.PPolyproline II helixtrans-61.2132.2177.5-67.7-168-170.500111.1F212 K213E187-F212 WeakPolarHBondContact O-CA 3.32Å; E187-K213 HydrophobicContact CB-CB 4.18Å; E187-K213 HydrophobicContact CB-CD 3.8Å; E187-K213 HydrophobicContact CB-CG 4.05Å; E187-K213 PolarHBondContact O-N 2.63Å; E187-K213 VanDerWaalsContact OE2-CD 3.32Å; E187-K213 WeakPolarHBondContact OE2-CD 3.3Å; E187-K213 WeakPolarHBondContact OE2-CE 3.45Å; E187-K213 IonicContact OE2-NZ 2.73Å; E187-K213 PolarHBondContact OE2-NZ 3.46Å
188I92.6Very high92.6Very high25 Ų2570.7 Ų70.713%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-92.6135.5176.2-61.8174.6000108.5F151 R186 K190 F195 F210F151-I188 HydrophobicContact CD1-CD1 3.98Å; F151-I188 HydrophobicContact CE1-CD1 3.33Å; F151-I188 HydrophobicContact CE2-CD1 4.15Å; F151-I188 HydrophobicContact CZ-CD1 3.42Å; F151-I188 VanDerWaalsContact CZ-CD1 3.42Å; R186-I188 PolarHBondContact O-N 3.12Å; I188-K190 PolarHBondContact O-N 2.96Å; I188-F195 HydrophobicContact CG2-CD2 3.87Å; I188-F195 HydrophobicContact CG2-CE2 4.45Å; I188-F210 HydrophobicContact CD1-CD2 3.85Å; I188-F210 HydrophobicContact CD1-CE2 3.93Å; I188-F210 HydrophobicContact CD1-CG 4.32Å; I188-F210 HydrophobicContact CD1-CZ 4.48Å; I188-F210 HydrophobicContact CG1-CD2 3.88Å; I188-F210 HydrophobicContact CG1-CE2 4.16Å; I188-F210 HydrophobicContact CG2-CB 3.75Å; I188-F210 HydrophobicContact CG2-CD2 3.94Å; I188-F210 HydrophobicContact CG2-CG 4.1Å
189D90.8Very high92.6Very high29 Ų2969.5 Ų69.516%0.15535%0.351CS..EExtended strand (participates in β ladder)trans-76.3116.6171.1-165-22.4000109.6A191 R194 H211 K213D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 WeakPolarHBondContact OD1-CB 3.26Å; D189-A191 PolarHBondContact OD1-N 3.04Å; D189-R194 HydrophobicContact CB-CB 4.22Å; D189-R194 WeakPolarHBondContact OD2-CD 3.49Å; D189-R194 IonicContact OD2-CZ 3.59Å; D189-R194 IonicContact OD2-NE 3.14Å; D189-R194 IonicContact OD2-NH1 2.68Å; D189-R194 PolarHBondContact OD2-NH1 3.34Å; D189-H211 PolarHBondContact N-O 3.15Å; D189-K213 HydrophobicContact CB-CG 4.09Å
190K88.1Confident92.6Very high182 Ų18271 Ų7179%0.79136%0.359SS*.  trans-92.99.2-176.7-60.8-174.5-179.9-1760113.1I188I188-K190 PolarHBondContact O-N 2.96Å
191A88.9Confident92.5Very high41 Ų4175.7 Ų75.734%0.33937%0.368SS..  trans-59.1139.9170.700000110.3D189 S193 R194 F195D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 WeakPolarHBondContact OD1-CB 3.26Å; D189-A191 PolarHBondContact OD1-N 3.04Å; A191-S193 PolarHBondContact O-N 3.09Å; A191-S193 VanDerWaalsContact O-N 3.16Å; A191-R194 HydrophobicContact CB-CB 4.39Å; A191-R194 CarbonylContact O-C 3.55Å; A191-R194 WeakPolarHBondContact O-CA 3.42Å; A191-R194 PolarHBondContact O-N 3.38Å; A191-F195 PolarHBondContact O-N 3.22Å
192E83.3Confident92.4Very high180 Ų18081.7 Ų81.784%0.84140%0.401SS*.THydrogen-bonded Turntrans-60.1-28.8-173.5-170168.1-164.700113.6R194E192-R194 VanDerWaalsContact C-N 3.34Å
193S85.5Confident92.4Very high95 Ų9580.4 Ų80.466%0.66440%0.401SS*.THydrogen-bonded Turntrans-75-22.3173.558.90000113.8A191A191-S193 PolarHBondContact O-N 3.09Å; A191-S193 VanDerWaalsContact O-N 3.16Å
194R88.6Confident92.4Very high77 Ų7783.8 Ų83.829%0.29142%0.416SS..THydrogen-bonded Turntrans-107.3-22.7-172-73.1-177.1178.9162.45.5113.5D189 A191 E192 F210 H211D189-R194 HydrophobicContact CB-CB 4.22Å; D189-R194 WeakPolarHBondContact OD2-CD 3.49Å; D189-R194 IonicContact OD2-CZ 3.59Å; D189-R194 IonicContact OD2-NE 3.14Å; D189-R194 IonicContact OD2-NH1 2.68Å; D189-R194 PolarHBondContact OD2-NH1 3.34Å; A191-R194 HydrophobicContact CB-CB 4.39Å; A191-R194 CarbonylContact O-C 3.55Å; A191-R194 WeakPolarHBondContact O-CA 3.42Å; A191-R194 PolarHBondContact O-N 3.38Å; E192-R194 VanDerWaalsContact C-N 3.34Å; R194-F210 CarbonylContact O-C 3.57Å; R194-F210 VanDerWaalsContact O-CA 3.23Å; R194-F210 WeakPolarHBondContact O-CA 3.47Å; R194-H211 WeakPolarHBondContact CA-ND1 3.33Å; R194-H211 HydrophobicContact CB-CB 4.17Å; R194-H211 HydrophobicContact CG-CB 4.43Å; R194-H211 PolarHBondContact O-N 3.33Å; R194-H211 VanDerWaalsContact O-N 3.15Å; R194-H211 PolarHBondContact O-ND1 3.08Å
195F94.4Very high92.5Very high51 Ų5185.2 Ų85.222%0.22442%0.419CS..EExtended strand (participates in β ladder)trans-122.6113.2171.7-174.1-77000108.9H149 F151 I188 A191 T197 Q209 F210H149-F195 AromaticContact NE2-CE1 3.95Å; H149-F195 AromaticContact NE2-CZ 3.68Å; F151-F195 AromaticContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CE2 3.76Å; F151-F195 HydrophobicContact CE2-CZ 4.09Å; F151-F195 HydrophobicContact CZ-CE2 4.18Å; I188-F195 HydrophobicContact CG2-CD2 3.87Å; I188-F195 HydrophobicContact CG2-CE2 4.45Å; A191-F195 PolarHBondContact O-N 3.22Å; F195-T197 HydrophobicContact CE1-CG2 4.48Å; F195-Q209 WeakPolarHBondContact CA-O 3.5Å; F195-F210 HydrophobicContact CD2-CB 3.5Å; F195-F210 VanDerWaalsContact CD2-CB 3.5Å; F195-F210 HydrophobicContact CD2-CG 4.48Å; F195-F210 HydrophobicContact CE2-CB 3.97Å; F195-F210 HydrophobicContact CG-CB 4.4Å
196W94.7Very high92.8Very high86 Ų8683.2 Ų83.233%0.32640%0.403SS..EExtended strand (participates in β ladder)trans-146.4156.4178.264.8-97.3000111.6L133 H198 F207 Q209L133-W196 HydrophobicContact CD1-CH2 4.4Å; L133-W196 HydrophobicContact CD1-CZ2 4.4Å; W196-H198 HydrophobicContact CE3-CB 3.99Å; W196-H198 HydrophobicContact CZ3-CB 3.58Å; W196-F207 HydrophobicContact CH2-CB 3.8Å; W196-F207 HydrophobicContact CZ3-CB 3.6Å; W196-Q209 HydrophobicContact CD2-CB 4.24Å; W196-Q209 HydrophobicContact CZ2-CB 3.83Å; W196-Q209 VanDerWaalsContact CZ2-OE1 3.32Å; W196-Q209 PolarHBondContact N-O 3.44Å; W196-Q209 PolarHBondContact O-N 3.02Å
197T96.4Very high93Very high62 Ų6282 Ų8238%0.3840%0.4SS..EExtended strand (participates in β ladder)trans-133.4141.3173.458.50000109.9F195 F206 F207 L208F195-T197 HydrophobicContact CE1-CG2 4.48Å; T197-F206 HydrophobicContact CG2-CZ 3.98Å; T197-F207 CarbonylContact C-O 3.59Å; T197-F207 VanDerWaalsContact CA-O 3.22Å; T197-F207 WeakPolarHBondContact CA-O 3.25Å; T197-L208 HydrophobicContact CG2-CB 4.01Å; T197-L208 HydrophobicContact CG2-CD1 3.76Å; T197-L208 HydrophobicContact CG2-CG 3.76Å
198H96.1Very high93.3Very high99 Ų9975.8 Ų75.846%0.45837%0.371SS..EExtended strand (participates in β ladder)trans-135.5132.2177.3-174.970.8000110.1W196 F206 F207W196-H198 HydrophobicContact CE3-CB 3.99Å; W196-H198 HydrophobicContact CZ3-CB 3.58Å; H198-F206 WeakPolarHBondContact O-CD2 3.37Å; H198-F207 HydrophobicContact CB-CB 4.3Å; H198-F207 PolarHBondContact N-O 2.92Å; H198-F207 PolarHBondContact O-N 2.94Å
199W96.5Very high93.4Very high53 Ų5375.9 Ų75.920%0.20137%0.371CS..EExtended strand (participates in β ladder)trans-112.7110.2174.1171.2-125000108.9Y138 I141 P147 K201 K204 F206Y138-W199 HydrophobicContact CD2-CZ3 4.18Å; I141-W199 HydrophobicContact CD1-CH2 4.04Å; I141-W199 HydrophobicContact CD1-CZ2 4.02Å; I141-W199 HydrophobicContact CG2-CH2 4.09Å; I141-W199 HydrophobicContact CG2-CZ2 3.99Å; P147-W199 HydrophobicContact CG-CD2 4.2Å; P147-W199 HydrophobicContact CG-CE3 3.75Å; P147-W199 HydrophobicContact CG-CH2 4.27Å; P147-W199 HydrophobicContact CG-CZ3 3.78Å; W199-K201 VanDerWaalsContact NE1-CG 3.32Å; W199-K204 VanDerWaalsContact CH2-C 3.42Å; W199-K204 HydrophobicContact CH2-CB 3.85Å; W199-K204 WeakPolarHBondContact CH2-O 3.45Å; W199-K204 VanDerWaalsContact CZ3-O 3.31Å; W199-K204 WeakPolarHBondContact CZ3-O 3.44Å; W199-F206 HydrophobicContact CB-CD2 4.13Å; W199-F206 HydrophobicContact CE3-CB 3.86Å; W199-F206 HydrophobicContact CE3-CD2 4.31Å; W199-F206 HydrophobicContact CZ3-CB 4.18Å
200N95.5Very high93.7Very high43 Ų4374.5 Ų74.523%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-87.5109.1172.1-173.5-29.6000108.6D202 T203 K204 Q205N200-D202 VanDerWaalsContact C-N 3.32Å; N200-D202 PolarHBondContact OD1-N 3.4Å; N200-T203 WeakPolarHBondContact CB-OG1 3.45Å; N200-T203 PolarHBondContact ND2-OG1 3.19Å; N200-T203 PolarHBondContact OD1-N 3.09Å; N200-T203 VanDerWaalsContact OD1-N 3.1Å; N200-T203 PolarHBondContact OD1-OG1 2.96Å; N200-K204 WeakPolarHBondContact O-CA 3.41Å; N200-K204 PolarHBondContact O-N 3.38Å; N200-Q205 PolarHBondContact N-O 3.06Å; N200-Q205 PolarHBondContact O-N 3.22Å
201K93.9Very high94Very high159 Ų15966.6 Ų66.669%0.69133%0.329SS*.THydrogen-bonded Turntrans-69.6-29.1-178.7-71.6178.6-179.5-1760112.9W199W199-K201 VanDerWaalsContact NE1-CG 3.32Å
202D93.4Very high94.3Very high153 Ų15365 Ų6582%0.81832%0.315SS*.THydrogen-bonded Turntrans-79.8-47.5-174.1-54.1-49.3000110.8N200 K204N200-D202 VanDerWaalsContact C-N 3.32Å; N200-D202 PolarHBondContact OD1-N 3.4Å; D202-K204 VanDerWaalsContact C-N 3.3Å
203T95.4Very high94.6Very high63 Ų6360.7 Ų60.739%0.38729%0.293SS..THydrogen-bonded Turntrans-84.2-917665.90000113N200 Q205N200-T203 WeakPolarHBondContact CB-OG1 3.45Å; N200-T203 PolarHBondContact ND2-OG1 3.19Å; N200-T203 PolarHBondContact OD1-N 3.09Å; N200-T203 VanDerWaalsContact OD1-N 3.1Å; N200-T203 PolarHBondContact OD1-OG1 2.96Å; T203-Q205 PolarHBondContact O-N 3.34Å
204K95.3Very high94.6Very high74 Ų7461.9 Ų61.932%0.32229%0.29SS..THydrogen-bonded Turntrans55.236.6-174.1-56.3-177.2-179.8-171.80113.5Y138 P139 I141 W199 N200 D202Y138-K204 PolarHBondContact N-O 3.21Å; Y138-K204 WeakPolarHBondContact O-CB 3.28Å; Y138-K204 WeakPolarHBondContact O-CD 3.37Å; P139-K204 WeakPolarHBondContact O-CD 3.4Å; P139-K204 WeakPolarHBondContact O-CE 2.96Å; P139-K204 PolarHBondContact O-NZ 2.86Å; I141-K204 HydrophobicContact CG2-CD 4.28Å; W199-K204 VanDerWaalsContact CH2-C 3.42Å; W199-K204 HydrophobicContact CH2-CB 3.85Å; W199-K204 WeakPolarHBondContact CH2-O 3.45Å; W199-K204 VanDerWaalsContact CZ3-O 3.31Å; W199-K204 WeakPolarHBondContact CZ3-O 3.44Å; N200-K204 WeakPolarHBondContact O-CA 3.41Å; N200-K204 PolarHBondContact O-N 3.38Å; D202-K204 VanDerWaalsContact C-N 3.3Å
205Q96.6Very high93.7Very high73 Ų7365 Ų6534%0.34131%0.308SS..EExtended strand (participates in β ladder)trans-108.5131.5179.6-68.8175.3-10.100111.8I136 N200 T203 F207I136-Q205 WeakPolarHBondContact O-CA 3.28Å; N200-Q205 PolarHBondContact N-O 3.06Å; N200-Q205 PolarHBondContact O-N 3.22Å; T203-Q205 PolarHBondContact O-N 3.34Å; Q205-F207 HydrophobicContact CB-CE2 3.66Å; Q205-F207 HydrophobicContact CB-CZ 4.05Å
206F97.8Very high92.1Very high7 Ų771.6 Ų71.63%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-104.8130.1174.7-174-109.4000111.1Q135 I136 Y138 P147 L171 T197 H198 W199 L208Q135-F206 CarbonylContact C-O 3.53Å; Q135-F206 WeakPolarHBondContact CA-O 3.34Å; I136-F206 HydrophobicContact CB-CB 4.49Å; I136-F206 HydrophobicContact CD1-CD1 4.26Å; I136-F206 PolarHBondContact N-O 2.88Å; I136-F206 PolarHBondContact O-N 3Å; Y138-F206 HydrophobicContact CD2-CB 4.24Å; Y138-F206 HydrophobicContact CE2-CB 4.13Å; P147-F206 HydrophobicContact CB-CB 4.22Å; P147-F206 HydrophobicContact CB-CD1 4.28Å; P147-F206 HydrophobicContact CB-CD2 3.92Å; P147-F206 HydrophobicContact CB-CE2 4.38Å; P147-F206 HydrophobicContact CB-CG 3.87Å; P147-F206 HydrophobicContact CG-CB 4.01Å; P147-F206 HydrophobicContact CG-CD2 4.17Å; P147-F206 HydrophobicContact CG-CG 4.14Å; L171-F206 HydrophobicContact CD2-CD1 3.58Å; L171-F206 HydrophobicContact CD2-CE1 3.57Å; T197-F206 HydrophobicContact CG2-CZ 3.98Å; H198-F206 WeakPolarHBondContact O-CD2 3.37Å; W199-F206 HydrophobicContact CB-CD2 4.13Å; W199-F206 HydrophobicContact CE3-CB 3.86Å; W199-F206 HydrophobicContact CE3-CD2 4.31Å; W199-F206 HydrophobicContact CZ3-CB 4.18Å; F206-L208 HydrophobicContact CE1-CB 3.85Å; F206-L208 HydrophobicContact CE1-CD1 4.23Å; F206-L208 HydrophobicContact CZ-CB 4.36Å
207F97.8Very high90.1Very high39 Ų3972.4 Ų72.417%0.17136%0.355CS..EExtended strand (participates in β ladder)trans-115.7134.2177.5-60.8-94000109.4F134 Q135 W196 T197 H198 Q205F134-F207 WeakPolarHBondContact O-CA 3.36Å; Q135-F207 HydrophobicContact CB-CD1 4.39Å; Q135-F207 HydrophobicContact CB-CE1 4.27Å; Q135-F207 HydrophobicContact CG-CD1 3.74Å; Q135-F207 HydrophobicContact CG-CE1 3.72Å; W196-F207 HydrophobicContact CH2-CB 3.8Å; W196-F207 HydrophobicContact CZ3-CB 3.6Å; T197-F207 CarbonylContact C-O 3.59Å; T197-F207 VanDerWaalsContact CA-O 3.22Å; T197-F207 WeakPolarHBondContact CA-O 3.25Å; H198-F207 HydrophobicContact CB-CB 4.3Å; H198-F207 PolarHBondContact N-O 2.92Å; H198-F207 PolarHBondContact O-N 2.94Å; Q205-F207 HydrophobicContact CB-CE2 3.66Å; Q205-F207 HydrophobicContact CB-CZ 4.05Å
208L97.3Very high88Confident0 Ų077.2 Ų77.20%038%0.377CS..EExtended strand (participates in β ladder)trans-138.2123.5171.5178.2155.1000108.4F134 H149 L169 T197 F206 F210F134-L208 HydrophobicContact CB-CB 4.44Å; F134-L208 HydrophobicContact CD2-CD2 3.8Å; F134-L208 HydrophobicContact CE2-CD2 4.43Å; F134-L208 PolarHBondContact N-O 3.33Å; F134-L208 PolarHBondContact O-N 3.12Å; H149-L208 HydrophobicContact CB-CD1 3.73Å; H149-L208 VanDerWaalsContact CG-CD1 3.46Å; L169-L208 HydrophobicContact CD1-CD1 4.17Å; L169-L208 HydrophobicContact CD2-CD1 4.34Å; L169-L208 HydrophobicContact CD2-CD2 3.7Å; T197-L208 HydrophobicContact CG2-CB 4.01Å; T197-L208 HydrophobicContact CG2-CD1 3.76Å; T197-L208 HydrophobicContact CG2-CG 3.76Å; F206-L208 HydrophobicContact CE1-CB 3.85Å; F206-L208 HydrophobicContact CE1-CD1 4.23Å; F206-L208 HydrophobicContact CZ-CB 4.36Å; L208-F210 HydrophobicContact CD2-CD1 3.56Å; L208-F210 HydrophobicContact CD2-CE1 3.88Å
209Q95.6Very high86Confident28 Ų2876 Ų7613%0.13139%0.385CS..EExtended strand (participates in β ladder)trans-126.2137.7176.9-174174.1-29.700110L132 L133 F195 W196 H211L132-Q209 WeakPolarHBondContact O-CA 3.43Å; L133-Q209 HydrophobicContact CB-CG 4.47Å; L133-Q209 HydrophobicContact CD1-CB 3.92Å; L133-Q209 HydrophobicContact CD1-CG 4.47Å; F195-Q209 WeakPolarHBondContact CA-O 3.5Å; W196-Q209 HydrophobicContact CD2-CB 4.24Å; W196-Q209 HydrophobicContact CZ2-CB 3.83Å; W196-Q209 VanDerWaalsContact CZ2-OE1 3.32Å; W196-Q209 PolarHBondContact N-O 3.44Å; W196-Q209 PolarHBondContact O-N 3.02Å; Q209-H211 PolarHBondContact NE2-CE1 3Å
210F95.8Very high84.3Confident0 Ų078.8 Ų78.80%041%0.409CS..EExtended strand (participates in β ladder)trans-142.2151.9167.663.3-91.6000112S131 L132 F134 F151 L169 V183 I188 R194 F195 L208 F212S131-F210 VanDerWaalsContact CA-O 3.23Å; S131-F210 WeakPolarHBondContact CA-O 3.44Å; S131-F210 WeakPolarHBondContact CB-O 3.32Å; L132-F210 HydrophobicContact CB-CE1 4.33Å; L132-F210 HydrophobicContact CB-CE2 4.39Å; L132-F210 HydrophobicContact CB-CZ 4.05Å; L132-F210 HydrophobicContact CD1-CE2 4.12Å; L132-F210 HydrophobicContact CD1-CZ 3.79Å; L132-F210 HydrophobicContact CG-CZ 4.39Å; L132-F210 PolarHBondContact N-O 3.07Å; L132-F210 PolarHBondContact O-N 3.38Å; L132-F210 VanDerWaalsContact O-N 3.16Å; F134-F210 HydrophobicContact CD2-CE1 4.18Å; F134-F210 HydrophobicContact CE2-CD1 4.41Å; F134-F210 AromaticContact CE2-CE1 3.49Å; F134-F210 HydrophobicContact CE2-CE1 3.49Å; F134-F210 VanDerWaalsContact CE2-CE1 3.49Å; F134-F210 AromaticContact CE2-CZ 4Å; F134-F210 HydrophobicContact CE2-CZ 4Å; F134-F210 HydrophobicContact CZ-CE1 4.4Å; F151-F210 HydrophobicContact CE1-CE1 4.17Å; F151-F210 HydrophobicContact CE1-CZ 4.2Å; F151-F210 AromaticContact CZ-CD1 3.98Å; F151-F210 HydrophobicContact CZ-CD1 3.98Å; F151-F210 AromaticContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CE1 3.83Å; F151-F210 HydrophobicContact CZ-CG 4.5Å; F151-F210 HydrophobicContact CZ-CZ 4.26Å; L169-F210 HydrophobicContact CD2-CE1 4.14Å; V183-F210 HydrophobicContact CG1-CE2 4.05Å; V183-F210 HydrophobicContact CG1-CZ 3.75Å; V183-F210 HydrophobicContact CG2-CZ 4.33Å; I188-F210 HydrophobicContact CD1-CD2 3.85Å; I188-F210 HydrophobicContact CD1-CE2 3.93Å; I188-F210 HydrophobicContact CD1-CG 4.32Å; I188-F210 HydrophobicContact CD1-CZ 4.48Å; I188-F210 HydrophobicContact CG1-CD2 3.88Å; I188-F210 HydrophobicContact CG1-CE2 4.16Å; I188-F210 HydrophobicContact CG2-CB 3.75Å; I188-F210 HydrophobicContact CG2-CD2 3.94Å; I188-F210 HydrophobicContact CG2-CG 4.1Å; R194-F210 CarbonylContact O-C 3.57Å; R194-F210 VanDerWaalsContact O-CA 3.23Å; R194-F210 WeakPolarHBondContact O-CA 3.47Å; F195-F210 HydrophobicContact CD2-CB 3.5Å; F195-F210 VanDerWaalsContact CD2-CB 3.5Å; F195-F210 HydrophobicContact CD2-CG 4.48Å; F195-F210 HydrophobicContact CE2-CB 3.97Å; F195-F210 HydrophobicContact CG-CB 4.4Å; L208-F210 HydrophobicContact CD2-CD1 3.56Å; L208-F210 HydrophobicContact CD2-CE1 3.88Å; F210-F212 HydrophobicContact CE2-CD1 4.48Å; F210-F212 AromaticContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE2 4.29Å; F210-F212 AromaticContact CE2-CZ 3.73Å; F210-F212 HydrophobicContact CE2-CZ 3.73Å
211H95.1Very high82.3Confident16 Ų1682.7 Ų82.77%0.07444%0.437CS..EExtended strand (participates in β ladder)trans-104.4141.5173.2-60.470.2000109.9S131 D189 R194 Q209S131-H211 WeakPolarHBondContact CB-CD2 3.43Å; D189-H211 PolarHBondContact N-O 3.15Å; R194-H211 WeakPolarHBondContact CA-ND1 3.33Å; R194-H211 HydrophobicContact CB-CB 4.17Å; R194-H211 HydrophobicContact CG-CB 4.43Å; R194-H211 PolarHBondContact O-N 3.33Å; R194-H211 VanDerWaalsContact O-N 3.15Å; R194-H211 PolarHBondContact O-ND1 3.08Å; Q209-H211 PolarHBondContact NE2-CE1 3Å
212F94.4Very high80.4Confident8 Ų881 Ų814%0.03545%0.446CS..EExtended strand (participates in β ladder)trans-76.4139.8166.6-63.5-72000109Q130 L132 V183 P184 R186 E187 F210 M214Q130-F212 HydrophobicContact CB-CD2 4.1Å; Q130-F212 WeakPolarHBondContact O-CD2 3.26Å; Q130-F212 PolarHBondContact O-N 3.16Å; L132-F212 HydrophobicContact CD1-CE2 3.91Å; L132-F212 HydrophobicContact CD1-CZ 3.81Å; L132-F212 HydrophobicContact CG-CE2 3.99Å; L132-F212 HydrophobicContact CG-CZ 4.38Å; V183-F212 HydrophobicContact CG1-CE1 3.98Å; V183-F212 HydrophobicContact CG1-CZ 3.7Å; P184-F212 HydrophobicContact CG-CZ 4.43Å; R186-F212 HydrophobicContact CB-CD1 3.57Å; R186-F212 HydrophobicContact CB-CE1 4.03Å; R186-F212 HydrophobicContact CB-CG 4.33Å; E187-F212 WeakPolarHBondContact O-CA 3.32Å; F210-F212 HydrophobicContact CE2-CD1 4.48Å; F210-F212 AromaticContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE1 3.84Å; F210-F212 HydrophobicContact CE2-CE2 4.29Å; F210-F212 AromaticContact CE2-CZ 3.73Å; F210-F212 HydrophobicContact CE2-CZ 3.73Å; F212-M214 PolarHBondContact O-N 3.07Å
213K91.3Very high78.8Confident89 Ų8976.1 Ų76.139%0.38743%0.431SS..PPolyproline II helixtrans-56.8138.7166.1-65-167.9-170.4168.90108.7R186 E187 D189 E215R186-K213 PolarHBondContact NH2-O 2.95Å; E187-K213 HydrophobicContact CB-CB 4.18Å; E187-K213 HydrophobicContact CB-CD 3.8Å; E187-K213 HydrophobicContact CB-CG 4.05Å; E187-K213 PolarHBondContact O-N 2.63Å; E187-K213 VanDerWaalsContact OE2-CD 3.32Å; E187-K213 WeakPolarHBondContact OE2-CD 3.3Å; E187-K213 WeakPolarHBondContact OE2-CE 3.45Å; E187-K213 IonicContact OE2-NZ 2.73Å; E187-K213 PolarHBondContact OE2-NZ 3.46Å; D189-K213 HydrophobicContact CB-CG 4.09Å; K213-E215 PolarHBondContact O-N 3.36Å
214M83.9Confident77.1Confident119 Ų11979.1 Ų79.159%0.58645%0.452SS*.PPolyproline II helixtrans-58.5124.2166.3-89.7172.581.800107.6Q129 F212 K216Q129-M214 HydrophobicContact CG-CG 3.75Å; Q129-M214 HydrophobicContact CG-SD 4.25Å; F212-M214 PolarHBondContact O-N 3.07Å; M214-K216 PolarHBondContact O-N 2.91Å
215E71.6Confident75.3Confident144 Ų14481.9 Ų81.967%0.67347%0.474SS*.  trans-61.2112.8159.4-75.3177.8-178.300105R186 K213 S217R186-E215 IonicContact NE-OE1 2.72Å; K213-E215 PolarHBondContact O-N 3.36Å; E215-S217 VanDerWaalsContact C-N 3.33Å; E215-S217 PolarHBondContact O-N 2.84Å
216K60.5Low73.5Confident189 Ų18983.6 Ų83.682%0.82249%0.492SS*.  trans-56.4110.9165.1-163.1174.7-170.9-179.90103.2M214 L218M214-K216 PolarHBondContact O-N 2.91Å; K216-L218 VanDerWaalsContact C-N 3.26Å; K216-L218 PolarHBondContact O-N 3.1Å
217S52.2Low71.3Confident103 Ų10389.3 Ų89.372%0.7253%0.53SS*.  trans-54.6106.8170.855.40000104.2E215 A219E215-S217 VanDerWaalsContact C-N 3.33Å; E215-S217 PolarHBondContact O-N 2.84Å; S217-A219 PolarHBondContact O-N 3.18Å
218L52.7Low69.2Low162 Ų16296.8 Ų96.885%0.84857%0.568SS**  trans-56.8102.9161.1-70.1168.9000101.7K216K216-L218 VanDerWaalsContact C-N 3.26Å; K216-L218 PolarHBondContact O-N 3.1Å
219A54.5Low67.3Low74 Ų74100.1 Ų100.161%0.61260%0.602SS**PPolyproline II helixtrans-46.9132.3170.100000104.8S217 P221S217-A219 PolarHBondContact O-N 3.18Å; A219-P221 VanDerWaalsContact O-N 3.15Å
220P59Low65.1Low111 Ų111105.7 Ų105.772%0.72164%0.637SS**PPolyproline II helixtrans-47.1133.3172.820.8-31.1000106.2S222P220-S222 PolarHBondContact O-N 3.27Å
221P54.3Low62.8Low126 Ų126115.5 Ų115.582%0.81868%0.68SS**PPolyproline II helixtrans-49.4116.7-17919.8-30.9000106.2A219 G223A219-P221 VanDerWaalsContact O-N 3.15Å; P221-G223 PolarHBondContact O-N 3.34Å
222S54.9Low60.3Low123 Ų123126.1 Ų126.186%0.8672%0.72SS**  trans-67.775172.552.30000106P220P220-S222 PolarHBondContact O-N 3.27Å
223G60Low57.9Low50 Ų50131.1 Ų131.152%0.51575%0.753SS.*PPolyproline II helixtrans-60.1145.2161.800000107.1P221 V225P221-G223 PolarHBondContact O-N 3.34Å; G223-V225 PolarHBondContact O-N 2.88Å; G223-V225 VanDerWaalsContact O-N 3.1Å
224P59.2Low56Low126 Ų126132.7 Ų132.782%0.81877%0.772SS**PPolyproline II helixtrans-53.8124.417821.4-30.8000108.9P226P224-P226 WeakPolarHBondContact O-CD 3.35Å
225V56.9Low54.3Low132 Ų132133 Ų13380%0.878%0.783SS**PPolyproline II helixtrans-48.8119.3168.4-950000108.1G223G223-V225 PolarHBondContact O-N 2.88Å; G223-V225 VanDerWaalsContact O-N 3.1Å
226P58.1Low53Low110 Ų110134.1 Ų134.171%0.71479%0.793SS**PPolyproline II helixtrans-63139.8172.824.8-30.6000108.4P224 M228P224-P226 WeakPolarHBondContact O-CD 3.35Å; P226-M228 PolarHBondContact O-N 3.01Å
227P51.7Low52.4Low126 Ų126133.4 Ų133.482%0.81879%0.794SS**PPolyproline II helixtrans-58128.5-176.721.7-31.5000110.6G229P227-G229 PolarHBondContact O-N 3.43Å; P227-G229 VanDerWaalsContact O-N 3.1Å
228M53.8Low51.8Low197 Ų197134 Ų13497%0.9780%0.799SS**SBendtrans-57.9111.2172.8-69.3176.861.600109.3P226P226-M228 PolarHBondContact O-N 3.01Å
229G58Low51Low70 Ų70130 Ų13072%0.72280%0.797SS**  trans177.628.2-178.800000117.5P227P227-G229 PolarHBondContact O-N 3.43Å; P227-G229 VanDerWaalsContact O-N 3.1Å
230V50.3Low50.4Low144 Ų144135.5 Ų135.587%0.87381%0.814SS**  trans-141.2112.7165-166.80000109.7R232V230-R232 PolarHBondContact O-N 3.07Å
231K45.9Very low49.2Very low207 Ų207133.3 Ų133.390%0.981%0.811SS**PPolyproline II helixtrans-63.1119.9174.4-66.3179178178.90108.9
232R43.9Very low48.9Very low239 Ų239133.7 Ų133.790%0.90281%0.814SS**PPolyproline II helixtrans-89.7137.2170.2-141.4175.4-136.5-116.12.6108.6V230V230-R232 PolarHBondContact O-N 3.07Å
233P44Very low48.3Very low112 Ų112138.6 Ų138.673%0.72781%0.813SS**PPolyproline II helixtrans-73151.9176.820.9-17.9000111.5
234P50.5Low47.5Very low123 Ų123141.7 Ų141.780%0.79982%0.824SS**PPolyproline II helixtrans-73.5146.8-172.228.3-33.2000112.7
235P48.3Very low47.1Very low124 Ų124140.6 Ų140.681%0.80582%0.817SS**PPolyproline II helixtrans-80.3130.2174.831.1-29.5000110.8M237P235-M237 PolarHBondContact O-N 2.92Å
236L44Very low46.5Very low168 Ų168141.4 Ų141.488%0.8882%0.817SS**PPolyproline II helixtrans-74.3122.1174.9-169.471.5000109.9
237M47.4Very low45.5Very low174 Ų174145.3 Ų145.386%0.85783%0.826SS**PPolyproline II helixtrans-68.7131.7169.2-71.7-82.7174.300110.5P235P235-M237 PolarHBondContact O-N 2.92Å
238S39.5Very low44.9Very low116 Ų116143.8 Ų143.881%0.81182%0.824SS**  trans-167.7129.1158.2-74.50000105.8
239G37.3Very low44.8Very low78 Ų78143.3 Ų143.380%0.80482%0.822SS**  cis130.611829.700000105.9
240I41.3Very low44.8Very low189 Ų189145.6 Ų145.697%0.96982%0.824SS**  trans-63.9136.3179.4-67.4158.6000110.2
241G34.5Very low45.4Very low65 Ų65144.1 Ų144.167%0.6782%0.817SS**  trans169.8153.2166.400000115
242P46.6Very low46Very low134 Ų134139.9 Ų139.987%0.8781%0.811SS**  trans-102.6167.6-14138.4-33.5000116.9
243R42.7Very low46.6Very low226 Ų226134.2 Ų134.285%0.85381%0.805SS**  trans-66.7152.1-179.6-161.1-178.4-168.5-140.63.7114
244P44.3Very low46.8Very low115 Ų115135.1 Ų135.175%0.74781%0.811SS**  trans-133.6174.7135.434.1-17.3000113.1
245P50.9Low46.5Very low104 Ų104133.2 Ų133.268%0.67581%0.813SS**  trans-108172.6-140.240.9-35.1000115.3
246N42.9Very low46.1Very low149 Ų149130.2 Ų130.280%0.79781%0.805SS**  trans82.7112.8157.2-137.327.8000116.2
247E37.9Very low46Very low191 Ų191131.9 Ų131.989%0.89381%0.811SS**  -177.5157.9122.4-98.7-177.1148.100111.7
248A38.6Very low45.7Very low94 Ų94131.7 Ų131.778%0.77781%0.808SS**PPolyproline II helixtrans-68.9152.8-154.600000116.3
249M52.3Low46.4Very low188 Ų188134.9 Ų134.993%0.92681%0.812SS**PPolyproline II helixtrans-65.4138167.2-68.1-169.1-9600111.6
250P58.8Low47.5Very low117 Ų117136.6 Ų136.676%0.7681%0.808SS**PPolyproline II helixtrans-89.5152.315832.1-28.6000112
251P61.8Low48.3Very low114 Ų114133.4 Ų133.474%0.7480%0.8SS**PPolyproline II helixtrans-80.5165-167.133.7-36.4000113.8
252P58.1Low49.2Very low118 Ų118138.1 Ų138.177%0.76681%0.809SS**PPolyproline II helixtrans-75.1144.2175.531.3-33.5000111.6
253P56.7Low49.8Very low120 Ų120137.1 Ų137.178%0.77980%0.803SS**PPolyproline II helixtrans-76149.7173.529.6-31.9000112
254P49.3Very low50.1Low130 Ų130132.8 Ų132.884%0.84480%0.804SS**PPolyproline II helixtrans-89.2145.8-174.834.8-32.5000112.8
255G42.9Very low50.7Low83 Ų83131.2 Ų131.286%0.85681%0.809SS**  trans90.9124.2139.600000119.2
256G40.4Very low50.3Low61 Ų61130.7 Ų130.763%0.62981%0.813SS**  trans87.585.2131.400000117.9H258G256-H258 PolarHBondContact O-CE1 3.04Å; G256-H258 PolarHBondContact O-N 3.38Å; G256-H258 VanDerWaalsContact O-N 3.14Å; G256-H258 PolarHBondContact O-ND1 2.96Å
257M41Very low50.5Low204 Ų204130 Ų130100%1.00582%0.817SS**  trans-72.8101.8160.2-69.7-158.5178.100110
258H43Very low51.2Low170 Ų170124 Ų12479%0.78781%0.805SS**PPolyproline II helixtrans-90.2125.6162.239.9-81.6000107.8G256G256-H258 PolarHBondContact O-CE1 3.04Å; G256-H258 PolarHBondContact O-N 3.38Å; G256-H258 VanDerWaalsContact O-N 3.14Å; G256-H258 PolarHBondContact O-ND1 2.96Å
259M53.5Low51.9Low183 Ų183125.4 Ų125.490%0.90181%0.807SS**PPolyproline II helixtrans-69.4139.5171.6-69.5-159.4178.800110.2
260P60.9Low51.5Low113 Ų113122.3 Ų122.373%0.73480%0.801SS**PPolyproline II helixtrans-74.6148.3170.529.5-32000111.5
261P56.4Low50.8Low123 Ų123124.6 Ų124.680%0.79980%0.801SS**PPolyproline II helixtrans-77.4148.2-179.431.6-33.1000112.2
262L54.1Low49.8Very low164 Ų164127.8 Ų127.886%0.85981%0.809SS**PPolyproline II helixtrans-66.2143.4171.5-97.275.8000111.5
263P59.1Low48.9Very low113 Ų113129.5 Ų129.573%0.73481%0.806SS**PPolyproline II helixtrans-75.4148.4171.629.9-32.5000112.2
264P49Very low48.1Very low135 Ų135133 Ų13388%0.87781%0.812SS**SBendtrans-82.1130.1179.531.5-30.4000111.2
265G56.8Low47.5Very low82 Ų82134.9 Ų134.985%0.84581%0.809SS**  trans12574.9169.600000114.2
266A43Very low47.3Very low93 Ų93138.9 Ų138.977%0.76981%0.805SS**  trans-133.5135.2160.200000109.2
267P46.5Very low47.2Very low135 Ų135143.7 Ų143.788%0.87781%0.811SS**PPolyproline II helixtrans-70.9138.5-178.412.1-4.6000111.3
268G53.1Low47.2Very low63 Ų63141 Ų14165%0.64980%0.797SS**PPolyproline II helixtrans-65.3162.1-179.900000113.9
269P53.7Low47Very low125 Ų125141.6 Ų141.681%0.81280%0.801SS**PPolyproline II helixtrans-69.8149.3-179.529.1-33.3000111.9
270P43.8Very low46.4Very low122 Ų122141.3 Ų141.379%0.79280%0.797SS**PPolyproline II helixtrans-72.6131-166.227.2-33.3000113.3
271Q44.8Very low45.1Very low165 Ų165140 Ų14077%0.77180%0.803SS**PPolyproline II helixtrans-66125.2163-82178.2-33.500109.9H273Q271-H273 PolarHBondContact O-N 3.26Å
272M40.1Very low44Very low182 Ų182137.7 Ų137.790%0.89780%0.802SS**  trans-81.7100170.2-61.3-148.5-17000109.9
273H39.1Very low43.7Very low153 Ų153136.2 Ų136.271%0.70880%0.803SS**  trans-74.4119.4167.7-77.7-100.9000109.9Q271 H275Q271-H273 PolarHBondContact O-N 3.26Å; H273-H275 PolarHBondContact O-N 2.74Å
274H38.8Very low42.8Very low195 Ų195134.3 Ų134.390%0.90380%0.804SS**  trans-70.8108.6166.6-108.765.5000109
275H37.9Very low42.3Very low168 Ų168137.3 Ų137.378%0.77881%0.808SS**  trans-85.1120.5170.5-136.773.7000109.3H273H273-H275 PolarHBondContact O-N 2.74Å
276H39.3Very low41.3Very low167 Ų167137 Ų13777%0.77381%0.806SS**  trans-80.5115170.5-155.279.8000107.4
277Q38Very low41.4Very low163 Ų163141.3 Ų141.376%0.76281%0.812SS**  trans-124.4108.8171.3-166.1153.366.300109.7
278M41.3Very low41.6Very low146 Ų146140.2 Ų140.272%0.71981%0.805SS**  trans-68.4135.8163.3-69.5-165.4175.700109.1
279Q37.7Very low41.5Very low183 Ų183143.1 Ų143.186%0.85581%0.812SS**  trans-139.2119.9161-164.1149.376.600110
280H41.6Very low41.3Very low177 Ų177145.5 Ų145.582%0.81982%0.817SS**  trans-87.1150.5169.5-81.4-84.3000110.7
281G33.8Very low41.4Very low85 Ų85148.4 Ų148.488%0.87682%0.823SS**  trans113.2126.7166.100000112.1
282G33.4Very low41.8Very low75 Ų75151.2 Ų151.277%0.77383%0.826SS**  cis-171.9-172.21000000108.6
283P47.7Very low42.3Very low134 Ų134147.9 Ų147.987%0.8782%0.818SS**  trans-97.8152.9-155.236.4-33000115.5
284G39.1Very low42.7Very low73 Ų73146.5 Ų146.575%0.75382%0.823SS**  trans86.7119.1144.900000117.1
285M39.8Very low43.1Very low197 Ų197144.5 Ų144.597%0.9782%0.818SS**  trans-166.2131.1133.7-87-112.3-160.800108.7
286G35.5Very low43.7Very low77 Ų77142.1 Ų142.179%0.79482%0.817SS**PPolyproline II helixtrans-71.5153.6-169.700000114.6
287M43.8Very low44.1Very low183 Ų183139.8 Ų139.890%0.90182%0.82SS**PPolyproline II helixtrans-81.4144.5169.3-69.3-90.7166.500110.3
288P51.2Low44.2Very low111 Ų111139.3 Ų139.372%0.72182%0.822SS**PPolyproline II helixtrans-80.3151.9165.232.9-30.6000110.8
289P51.7Low44.2Very low125 Ų125136.9 Ų136.981%0.81282%0.819SS**PPolyproline II helixtrans-81.1128.5-176.831.3-30.8000111.5
290L49.1Very low44.3Very low174 Ų174137.2 Ų137.291%0.91182%0.821SS**PPolyproline II helixtrans-75.2123.2166.4-86.5155.1000109.6
291M46.4Very low44.4Very low184 Ų184132.6 Ų132.691%0.90682%0.821SS**PPolyproline II helixtrans-56132.5172.8-71.1-75-178.200111.1
292R52Low44.4Very low224 Ų224132.3 Ų132.385%0.84582%0.818SS**PPolyproline II helixtrans-85.5131.5176.2-158.2178.5-170.8-142.22.8108.9
293P50.5Low45.2Very low111 Ų111137.5 Ų137.572%0.72182%0.824SS**PPolyproline II helixtrans-78.2149.9169.225-22.3000111.2
294P49.1Very low45.6Very low125 Ų125137.3 Ų137.381%0.81282%0.823SS**PPolyproline II helixtrans-80.1151.6-178.133.1-31.9000111.9
295L47.5Very low46Very low152 Ų152143.1 Ų143.180%0.79683%0.83SS**PPolyproline II helixtrans-71153.7171.2-80.9118.2000111.5
296P49.4Very low46.6Very low119 Ų119141.6 Ų141.677%0.77382%0.821SS**PPolyproline II helixtrans-77.6137.2173.332-30.5000110.8
297S47.5Very low47Very low118 Ų118145.2 Ų145.283%0.82582%0.822SS**PPolyproline II helixtrans-86127.4169.751.40000110.4
298D40.4Very low46.8Very low153 Ų153147.4 Ų147.482%0.81884%0.837SS**PPolyproline II helixtrans-68.4148.2172.4-90.1-50.3000113.4
299S41.1Very low46.6Very low94 Ų94149.2 Ų149.266%0.65784%0.843SS**  trans59.9116.6145.665.10000119.7
300H40.3Very low46.3Very low190 Ų190150.5 Ų150.588%0.8885%0.845SS**  -165.7125.8111.3-106.1-71.5000111
301G42.4Very low46.2Very low80 Ų80149.2 Ų149.283%0.82584%0.841SS**  trans-74.9147.9170.900000112.3
302G35.2Very low46.2Very low79 Ų79147.1 Ų147.181%0.81484%0.837SS**  trans-154.6122.9170.400000109.4
303M49.7Very low45.8Very low184 Ų184142.3 Ų142.391%0.90684%0.837SS**PPolyproline II helixtrans-61.4156.3-175-62.3-173.5174.500113.9
304P55Low45.5Very low130 Ų130144.4 Ų144.484%0.84484%0.844SS**PPolyproline II helixtrans-84127.5167.732.3-29.3000111.4
305H48.2Very low45.2Very low195 Ų195145.8 Ų145.890%0.90385%0.847SS**PPolyproline II helixtrans-91.5146.8167.7-119.5-85.7000110.7
306Q51.9Low45.1Very low165 Ų165145.3 Ų145.377%0.77185%0.851SS**PPolyproline II helixtrans-72.2161.9179.5-68.1168.99.700114.6
307N43.7Very low44.7Very low153 Ų153147.5 Ų147.582%0.81886%0.857SS**  trans66.5134.1162.5-68.4-1.2000115.8
308N41.2Very low44.5Very low229 Ų229150.2 Ų150.2100%1.22586%0.86SS**  cis-156.2033.1-173.646.6000108.8

Retrieved 308 of 308 residues in 57 ms (Link to these results)